smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(C)cc1 16292441 FKUHMUQRZBKJAB-GRSHGNNSSA-N 511.803 6.544 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38701444 CZZVXCYHPFHOOZ-NDEPHWFRSA-N 508.574 6.748 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 39885089 YOMKAECMXHPYRF-NTEUORMPSA-N 501.873 7.715 50 10 KKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 40815480 DOQJYSGEHWKMRI-YQCHCMBFSA-N 505.618 6.446 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 40924770 ZCDSEAJEAUFREV-VULFUBBASA-N 504.077 6.284 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 48571988 DKBBXOVQXFNJNK-AMVVHIIESA-N 506.393 5.035 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 58894090 DJDONYOAISPQMC-PEHSQKLVSA-N 511.018 5.599 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1Cl 100236553 YUYNAGRSCQJVER-HOFFDHMBSA-N 541.475 6.664 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 100238190 YNVIHOBIXWRHOL-KPHTWCJLSA-N 537.056 6.019 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 100327678 BMNCBJXQNAKIEB-WHXCVRPHSA-N 578.834 5.496 50 10 KKGE CCOc1cc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1ccccc1 100869675 KWSPEJHEFBGVHR-GXBUFBABSA-N 594.465 7.046 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)c1 101013611 AFKRSGHOGIOCKJ-MOHJPFBDSA-N 557.676 5.166 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193633 JXUOKROEEXVJIE-LFYBBSHMSA-N 519.228 7.837 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244703 BCIMUFXISDEFQR-FYAMCCBRSA-N 504.011 5.804 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244841 DPWJIOIRYPRQGQ-GOHCDNDPSA-N 522.457 6.675 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101334747 HXKQDBOXMODIMR-QXUDOOCXSA-N 592.699 7.520 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101335311 IFNFKNZJLLMKPO-VUTHCHCSSA-N 544.611 5.357 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101337069 IVOQVVGZPZPGNY-JQJFTXFBSA-N 522.649 5.111 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101337698 UPUXVCSIDYUZEA-GQRGRSSYSA-N 608.673 7.611 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2=O)cc1OC 101339146 FFRUGQIRWPZRLB-NJZRLIGZSA-N 594.671 6.545 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101340090 ZFDJPXNGSRIDGH-MFKUBSTISA-N 543.019 6.119 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCC(C)C 101374341 AFOKFLSRRPDAOH-GDLZYMKVSA-N 563.050 6.203 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccccc5F)ccc43)cc2)cc1 101378727 PFQMXHWISLWPEC-UKPGIYTDSA-N 550.586 6.304 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(C)cc2)c1 101381992 WIRRXRGBSXWAGH-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383810 CKNLCLWUKZOYFX-UMSFTDKQSA-N 556.593 6.924 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385517 ZCTKGLFGQJNMPC-PMERELPUSA-N 598.011 6.582 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101388963 YSBGRDYMTGGXHQ-MFISVEIKSA-N 618.705 7.938 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)c(C)c2cc1C 101393721 LQWBNSMUTRKGRH-HKBQPEDESA-N 542.591 7.588 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1c(F)cccc1Cl 101394425 UQVFIZNPJBYVFH-LJQANCHMSA-N 545.806 7.438 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccc(F)cc12 101397588 VYPFJHJXXJDSFP-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccc(Cl)cc12 101398534 RLHBHHCTFIZXQG-PMERELPUSA-N 597.454 8.064 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 102006925 LIPMCNCIHXNOOW-AMVVHIIESA-N 535.456 6.844 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)sc(C(C)=O)c1C 103127351 JDFNDWNSKPRTDB-XNTDXEJSSA-N 550.574 5.551 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@@H]2CCC[C@H]2c2ccccc2P(c2ccccc2)c2ccccc2)c1 148674200 YJHRUEONIJPVAL-GVFQJMOSSA-N 598.751 9.084 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 150428652 YITPSIVDHYNJFN-PKEXHZLISA-N 682.309 5.904 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 150478067 LZSRNXGOJCBXQL-WJOKGBTCSA-N 633.503 8.328 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479168 MONOZFUENHSXLK-PMERELPUSA-N 642.322 8.082 50 10 KKGE C[Si](C)(C)O[C@H](c1ccccc1)[C@@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195804183 OMZBKJRJXBECQK-LQFQNGICSA-N 566.781 8.576 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205670024 CEKNKDPSESCDQD-KDUGMHDVSA-N 614.742 8.107 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214292341 ORINFTIUHFXEOY-VQNDASPWSA-N 608.698 6.900 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214327029 NRBZKSHLYSAXAS-KJVZMNSFSA-N 620.709 7.043 50 10 KKGE CCCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 229005600 IQIYBWKPUUKVGT-CYBMUJFWSA-N 547.932 7.309 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2cccc(C(F)(F)F)c2)cc1 252628539 SSKPZKWHELDKOT-UHFFFAOYSA-N 550.566 5.685 50 10 KKGE Oc1ccc2ccccc2c1C=Nc1ccc(SSc2ccc(N=Cc3c(O)ccc4ccccc34)cc2)cc1 253636718 OYYWMKMEJOQZFW-UHFFFAOYSA-N 556.712 9.705 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc2ccccc2c1 254705490 IMMBAHPLNWJMNG-UHFFFAOYSA-N 538.698 6.112 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccccc1Br 254817504 YPGJRZLZPGODRK-UHFFFAOYSA-N 529.390 5.055 50 10 KKGE CCCOc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)Cc4ccc(OC)cc4)c3)c3ccccc3n2)cc1 254865620 QNUNHBWUXRNEPS-UHFFFAOYSA-N 586.692 7.034 50 10 KKGE ClCc1cccc(Cl)c1Oc1c(I)cc(Cl)cc1I 394221837 RXMUZYJYVKAHKD-UHFFFAOYSA-N 539.365 6.734 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)c1 616584038 MZFUMCYMCRPLAD-SANMLTNESA-N 508.760 6.613 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1cc(I)cc(I)c1 690394743 FHOMPPNAGHUTDR-UHFFFAOYSA-N 620.397 5.578 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)cc1Br 698432815 IIVCDDRYSVHYMF-LLVKDONJSA-N 501.842 5.500 50 10 KKGE O=C(c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)c3ccc([N+](=O)[O-])cc3)nn2-c2ccccc2)s1 1083933997 MAZHNPRCCRWXQW-UHFFFAOYSA-N 866.988 9.724 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1083991835 YDGVUIFNZDJDTC-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1 1084066265 NADCMTDRTTWTFP-UHFFFAOYSA-N 568.265 7.029 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 1084087084 JXUKFDPNRFVBPN-DEOSSOPVSA-N 624.757 6.807 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084134733 DBGAQBRRLGJUKN-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1 1084254506 LAEFHOLDEJBTBS-PXLXIMEGSA-N 611.334 6.055 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 1084283315 OSTWVDBNWZOGCL-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084294062 QPKRJAPEOSLDFD-LICLKQGHSA-N 591.245 7.187 50 10 KKGE CCCCOc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084434770 LBEMIAORPJEWRH-UHFFFAOYSA-N 590.145 6.987 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084454144 ACEHHZIIYMCEMW-KGENOOAVSA-N 754.204 6.493 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 1084486670 CNLWFHSPHUMHBT-FQEVSTJZSA-N 540.252 5.139 50 10 KKGE COc1cc(C=NNC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 1772721927 IKZVEZNFENVAFC-QRWLVFNGSA-N 551.879 6.824 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743972 NAFMJBMRDBZSGA-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747874 SJPRTJIEWLMJMR-UHFFFAOYSA-N 517.383 5.621 50 10 KKGE COc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1Br 1772754330 VXPSTJPUQCMRIH-UHFFFAOYSA-N 518.205 5.416 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772754993 FOGMFYQLAWHVIT-UHFFFAOYSA-N 540.892 5.876 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(Cl)cc1 1772755716 PRTHEOKOWRPPBK-UHFFFAOYSA-N 587.942 7.297 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c(C)c1Cl 1772756575 YWPHVGWOGWVCOX-UHFFFAOYSA-N 501.808 5.827 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865682555 RGMWZQNZGDEQGF-HXUWFJFHSA-N 511.771 6.857 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688647 XUZPKPKQDPFFOG-QHCPKHFHSA-N 543.421 5.933 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865693926 MXZZCQWGYKSHJG-LJAQVGFWSA-N 528.612 6.708 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1865694747 APYIRYBUBGSLJU-NDEPHWFRSA-N 511.025 6.307 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696127 JZCNYNHQHJJCBZ-LJQANCHMSA-N 515.795 5.173 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701580 YSUSLYZAAGQQCS-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704026 LCCDXGCJYAUMRE-AREMUKBSSA-N 535.406 6.483 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866670256 SMHGDBZQRQUOAY-RUZDIDTESA-N 547.036 5.491 50 10 KKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780702 GMGLQOVAKLUNCZ-LOSJGSFVSA-N 507.656 5.797 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866861301 FSZSQCTWCLZDRS-QHCPKHFHSA-N 527.675 5.455 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867220449 OUGMFOZGPRFDOG-NSOVKSMOSA-N 550.124 7.148 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)CC2 1868320237 GANAXWSXRJQZPP-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758958 YMBRCKUMSRKUGG-FILYSXRDSA-N 512.418 6.620 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915270952 IJZYBMMWIKQXIW-GOSISDBHSA-N 563.071 5.870 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)s1 1924579672 IMPQCFMJVZIUSI-LURJTMIESA-N 574.777 7.344 50 10 KKGE Clc1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1983217589 DASSGILHJDBMCG-RXMQYKEDSA-N 530.326 7.235 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2016568783 UUVHYWLHXNBSBS-BDIBXJNUSA-N 505.895 6.374 50 10 KKGE COc1sc([C@@H](Br)c2cc(I)ccc2Br)cc1Br 2034628346 DSAFNNAYQCMIHM-NSHDSACASA-N 566.878 6.371 50 10 KKGE C[C@@H]1O[C@@]2([C@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078504363 CESJZXLYCDKLLX-FALYWKPKSA-N 523.910 6.429 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2142279595 SAQAZPZGBFBXBO-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)Cc1ccccc1I 2143868054 JSWUNWKJAJYYBE-AWEZNQCLSA-N 510.007 6.049 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)cc(Cl)c2OC)c(Br)s1 2203000521 UGGKWQZRBHYXMC-JTQLQIEISA-N 504.469 6.377 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)cccc1Br 2203838688 DBWFHTUBSYGNKP-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Brc1sc(CC[C@@H](Br)c2ccccc2)c(Br)c1Br 2222474749 POEZOSWCZZDWIX-SECBINFHSA-N 517.906 7.104 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)c(Cl)c1Cl 2232512236 SOGLLZPEBHZKGX-JTQLQIEISA-N 542.707 8.310 50 10 KKGE COc1cc(C)c([C@H](Br)c2c(F)cccc2I)cc1Br 2282902745 FDHGXRZSSDEKTR-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2294187409 LAOYSDMCIRWIBJ-UHFFFAOYSA-N 501.514 5.986 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)ccc1OCc1ccccc1 2295838612 OXWQAHXUZRWYLR-RUZDIDTESA-N 585.726 6.059 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc(O)c2ccccc2n1 2296722570 PLMSIRORRSVKHE-UHFFFAOYSA-N 576.682 5.817 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 2297450835 ZWYVWLVGUAHFEG-UHFFFAOYSA-N 503.046 5.625 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 2297497876 ZMBQOGNSOSHSDM-MHZLTWQESA-N 591.737 6.243 50 10 KKGE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Sc1cc2c3c(cccc3c1)C(=O)OC2=O 2297710517 PLLMDHIKYVVURE-UHFFFAOYSA-N 540.000 6.674 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Cl)cc2I)c(C)c1Br 2300948204 AUIOVWAAYDQABK-SECBINFHSA-N 526.484 6.931 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 2313568247 QLKPESIJNWWNSB-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1Cl 2313676669 QIMRPJPKBZZIEQ-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314617782 ANZHGESRYDDKHH-OAQYLSRUSA-N 519.004 6.546 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314619997 IXNURMLDZUTBID-UHFFFAOYSA-N 614.746 7.116 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 2314754851 FNULVABQWHPWKZ-UHFFFAOYSA-N 515.349 5.193 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331351111 RKNRRIHDVUQPSY-UHFFFAOYSA-N 510.015 5.988 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2scc(Br)c2Cl)c1Br 2337097693 MSCSAYNKDYFYGC-SECBINFHSA-N 532.281 7.810 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 2340798810 OAWZEXQSJMCHMA-SECBINFHSA-N 532.281 7.810 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(I)c1 2362238778 WNSUCYBKXQSQNM-LLVKDONJSA-N 601.248 7.232 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 3230287 AVDWAEVFRQWDIQ-UHFFFAOYSA-N 518.664 5.339 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14033121 OZPQGYFNFZJORG-UHFFFAOYSA-N 505.640 5.174 50 10 KKGE Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN(C2CCCCC2)C2CCCCC2)c2ccccc2OO)cc1 33355151 PLYZYGRVQXXRNR-VWLOTQADSA-N 516.704 5.370 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCC1 35445996 FMHALULBZBFUFE-XHPQRKPJSA-N 502.618 6.474 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 38686837 ZMULNSCVXOSXHC-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 40530110 VGKCYJKITFPACU-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1OCc1ccc(Br)cc1 96095871 YBJXOXRDNXIXAY-FDAWAROLSA-N 509.403 7.098 50 10 KKGE BrCC1(COc2c(Br)cc(Br)cc2Br)CCCC1 96870097 JCKXJOZTBNCMTQ-UHFFFAOYSA-N 505.870 6.308 50 10 KKGE CC[C@@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100110531 RPBKUMPPBPTGAT-GOSISDBHSA-N 550.247 5.057 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100173319 QJLWUBOJBBHFSA-UHFFFAOYSA-N 611.562 5.918 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(OCc2ccccc2)cc1 100229670 KQMIUMYYYKHCDU-UHFFFAOYSA-N 524.198 5.175 50 10 KKGE C=CCN1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844240 VNGHOOJOEUQFGG-ZQKKSVFDSA-N 522.841 5.772 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101307567 CUDLKQRBYQETTF-SANMLTNESA-N 559.043 6.874 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C2=O)cc1 101339861 BZMFYTIPEKMZDO-STBIYBPSSA-N 542.639 6.266 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1 101367408 HXHOXIAMKUZPPD-YTTGMZPUSA-N 562.622 6.094 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 101374091 AUYWFZAITITTBL-WJOKGBTCSA-N 542.632 6.029 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101375357 SQVQQEPEYZGLMM-LJAQVGFWSA-N 581.496 7.789 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381750 JSAHSBRSGXQKMI-MGBGTMOVSA-N 560.650 6.766 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384011 QAYUDTYGKAMRQK-HKBQPEDESA-N 548.614 7.140 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384984 PNKSWMSIEVXGGW-MQFAKOPTSA-N 615.513 7.726 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385914 OAOQXMIAFCNWJF-PPGPUPIYSA-N 611.094 7.081 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388592 URVVCZCFZIFEEP-MGBGTMOVSA-N 611.094 7.542 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(F)cc1 101389598 WUOGUTNHMVUXAN-UUWRZZSWSA-N 594.639 6.623 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 101397325 GLZNUGDZDCUBPP-MUUNZHRXSA-N 543.019 7.401 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615187 DLUOFJLIAWMBIS-KLPHOBTLSA-N 515.332 5.108 50 10 KKGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 101751378 VMKYVPWSMQZIBE-DEDYPNTBSA-N 523.383 5.202 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2cc(OCC)c(OC(C)C)cc2Br)s1 102347921 MHQAROBZMOBMQH-SXGWCWSVSA-N 535.460 5.981 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC 103795873 RBNSOYSEIQRJBV-UZWMFBFFSA-N 542.477 7.106 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C(C)C)cc1Br 104803665 ZUFFKHPBYACFII-UHFFFAOYSA-N 597.535 5.156 50 10 KKGE Cc1ccc(C(=O)N/C(=C\Sc2ccccc2N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 107781064 SGJUBPNFZAJFPE-INKHBPHZSA-O 545.668 6.892 50 10 KKGE CC[C@]1(C)[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 117316423 XQJZLNWPQOUKIS-GMXVVIOVSA-N 602.419 5.675 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 128880305 NNIZCIVIRYBBBF-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1Br 148990487 QIAFPQRAXZOJCW-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150425160 RSRZFWRJBLCEFA-HXUWFJFHSA-N 644.722 7.563 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433140 NKJVQLPXAVGTMU-YTTGMZPUSA-N 635.475 7.313 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205650380 UQNUUVCJFJOPEA-QDFMTWCFSA-N 552.671 7.009 50 10 KKGE O=C(Nc1ccccc1)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@H]1CP(c1ccccc1)c1ccccc1 207630158 AAYSIAJWYYFANM-BIMVPBQRSA-N 572.629 6.927 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214316671 YIYVRECUQJQSMA-DXJNIWACSA-N 566.617 6.504 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214327098 NRBZKSHLYSAXAS-RHKHZYBESA-N 620.709 7.043 50 10 KKGE CCCCCCCCCCCCCCCCCCS/C(C#N)=C(/C#N)SCCCCCCCCCCCCCCCCCC 225578386 VKQIFFOAPWVOFV-MRNGAQBPSA-N 647.180 15.235 50 10 KKGE BrCc1cc(Br)c(OCc2ccccc2Br)c(Br)c1 232484781 DHPWIWQNUZGQNQ-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 252618657 LJNYCRNDKCPMOZ-UHFFFAOYSA-N 650.595 6.506 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C/C(C)=C/c1ccccc1)NC(=O)c1ccccc1 252633603 WEQOPTQUXTVPIT-OABQEMRNSA-N 503.602 6.106 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 253570877 OFBNRKYHYQHTAG-KBVAKVRCSA-N 557.083 5.269 50 10 KKGE COc1cc(Br)cc(C=NNC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccc(Cl)cc2Cl)c1O 254312640 OHMQDTXCZKRMKS-UHFFFAOYSA-N 650.386 6.214 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2ccccc2)cc1 254444925 MQPYQNOJMVDSNG-UHFFFAOYSA-N 593.709 6.163 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 254593709 NVVUGVRQWICFAR-UHFFFAOYSA-N 532.691 5.276 50 10 KKGE COc1cc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1OC(=O)c1ccco1 254620825 ZSUFMXAKLRPTFP-UHFFFAOYSA-N 506.518 5.124 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc1OC 254669493 SGWRJTSDCCNXHU-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE N#CC1=C(N)n2c(=O)sc(=Cc3ccc(-c4ccccc4)cc3)c2=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 254868089 QZTVGNJOTZNUQS-HKBQPEDESA-N 534.644 5.195 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 604938968 VUNSKLXNHPLZTO-PHZBTSSASA-N 641.142 11.582 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)c1 616594119 SQGVMUQEOUSHLK-AREMUKBSSA-N 507.772 6.786 50 10 KKGE Brc1ccccc1C[C@@H](Br)c1cc(I)cc2c1OCC2 692447080 APURYWQNEIXDOV-OAHLLOKOSA-N 507.991 5.667 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 725398808 DRIFNYDGWKOLTJ-UHFFFAOYSA-N 636.479 6.937 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[c-]2[cH-][cH-][cH-][c-]2[C@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C 1083049509 WFAXAJSLVPBGJQ-XIFFEERXSA-N 633.773 8.842 50 10 KKGE CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1083934038 CKQVXBKWQGHKRU-RLPNJSHFSA-N 536.528 7.594 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084015368 BPFWCUGODHCJMO-YBFXNURJSA-N 562.280 8.162 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1084169936 VEZFCINXKIMOJQ-UHFFFAOYSA-N 566.045 6.392 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CCCSc1nc2ccccc2s1 1084446301 VXQKNTVORLZUOJ-UHFFFAOYSA-N 518.712 5.803 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084464942 ARCIRRUJPUDGRS-HXUWFJFHSA-N 565.455 6.194 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC 1772720038 DQJPTIINCPDDIU-UHFFFAOYSA-N 561.418 5.548 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743743 GZZAGMGZOQZHGH-UHFFFAOYSA-N 509.541 6.865 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1 1772754145 CRNQQJQOAZWKKV-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(C(C)(C)C)cc1 1772760372 HADAQEISDXMCPR-UHFFFAOYSA-N 503.624 5.955 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865685935 OLXORDMZDHCQPX-NRFANRHFSA-N 538.232 6.827 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865687311 OHJPHMKRZNKYDU-MHZLTWQESA-N 575.496 7.642 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OCC 1865687369 PRYRWZBWACIQNQ-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687495 SIMVPAYEDSPKIG-NDEPHWFRSA-N 541.051 6.343 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687797 AOTSTEKUHBCOKN-WJOKGBTCSA-N 548.687 6.697 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688011 GKACLVPOXXKNJE-OAQYLSRUSA-N 527.394 5.108 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCCc1ccccc1 1865688721 ZCUJFRUTRIOQEH-XMMPIXPASA-N 566.967 6.393 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865691246 NRFVGDRUGLMVEH-JOCHJYFZSA-N 537.458 6.035 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865691343 PUGNVDSRPLFFDN-SANMLTNESA-N 525.008 6.043 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(OC)c1OC 1865691835 CFUJVRJESKPMAE-SANMLTNESA-N 522.605 5.459 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 1865704461 WKTIULDTRITZLJ-VWLOTQADSA-N 534.403 5.688 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)cc1 1872752103 NQNUREVCIBVTGQ-QOCHGBHMSA-N 517.876 8.001 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c(C)c1 1872757021 MNJOVNIIVRLQIG-FVDSYPCUSA-N 519.626 6.524 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCc1ccccc1 1872793944 BODPOESFXVFJRL-LPYMAVHISA-N 517.050 7.822 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)Cc1ccccc1 1885377975 IPUQSJOKJOOIEA-UHFFFAOYSA-N 527.253 5.874 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924593257 CYIOIGUBXWJBEG-VIFPVBQESA-N 582.775 7.591 50 10 KKGE CC(C)([C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924608218 FQONDCVHXQPGHC-YFKPBYRVSA-N 523.832 7.060 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)cccc2Br)sc1Br 1945323006 PDKCJFSPHIKXBC-JTQLQIEISA-N 524.297 7.173 50 10 KKGE FC1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2025780807 XVFVYZZUIQYFDV-ZROIKLNDSA-N 514.252 6.765 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)ccc2F)c(C)c1Br 2050463809 KUDYBPPBMMFQIU-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1scc(Br)c1Br 2138240400 BLTFQSMNTIZPDC-JTQLQIEISA-N 509.872 7.026 50 10 KKGE C[C@@H]1C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H](C)O1 2141467967 FJEIAOYFSTXABU-NTYJKVJMSA-N 540.315 6.830 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1Br)C1CCOCC1 2148682976 RLJFCGVHWKVFHY-UHFFFAOYSA-N 533.924 5.957 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201067871 BSIYTDKUANLWJT-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE C[C@@]12CC[C@@]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206394470 GZNOVASMMLUYMZ-RDBSUJKOSA-N 552.326 6.976 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2CCCCC[C@H]21 2206398242 SHJVHOUPNVWWFO-HWNKLIFASA-N 550.354 7.843 50 10 KKGE Fc1c(Cl)cccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406313 XWCOBWILQIFLOR-LBPRGKRZSA-N 570.703 7.857 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 2232219522 HEUDDYIFTHIGTR-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@@H]1C 2234059233 SLCREIPUKQPHTF-PJSUUKDQSA-N 511.689 6.554 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Cl)c2)c(C)c1Br 2235606082 VIPDCVFOEIBSOC-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(F)cc1 2295163790 VNRHUOFDRVPFCE-UHFFFAOYSA-N 507.186 7.547 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1sc(C)c(C)c1Br 2295370358 OJLSASLLEQBFRT-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=CC3=Cc4ccccc4O[C@H]3C)nc2-c2ccc(C)cc2)cc1 2296717910 IXXPQQIIZZAHSF-NRFANRHFSA-N 503.627 7.451 50 10 KKGE O=C(C=CC(=O)Oc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1)Oc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1 2297672407 HZBGQHXPBDJDLL-UHFFFAOYSA-N 718.358 5.807 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2301044557 RVBBWNNGNKZINZ-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccccc2)cc1 2313530144 KCQIFNFSXPCZDX-UHFFFAOYSA-N 520.383 5.180 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(I)c(Br)c1 2314517852 MKNKGHXLMSVTFC-JTQLQIEISA-N 540.873 7.215 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@H](CC)C2 2314572132 UCXXKJADKAKTAL-KRWDZBQOSA-N 533.606 6.462 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314616741 IURAOQROIRWZFP-UHFFFAOYSA-N 502.574 6.210 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314617072 QFHQRPAAMPKARK-UHFFFAOYSA-N 506.650 5.875 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 2314617227 UCOYPZBXUHZQIC-UHFFFAOYSA-N 556.666 6.819 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 2314751168 UHPPMOMMPVOIBU-LJQANCHMSA-N 538.556 5.204 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 2331353973 UNJIHUBVJGQWOH-UHFFFAOYSA-N 501.608 6.120 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2333303651 NVXCNKPVNWZNMG-BJMQDQJUSA-N 538.299 6.584 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCc2c[nH]c3ccccc23)cc1COc1cc(C)c(Cl)c(C)c1 1949589 FBXCYVPVXUZILR-KPGMTVGESA-N 504.030 6.499 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2ccccc2)o1 2412137 YSVNTLRARGWYBX-VWLOTQADSA-N 502.624 7.328 50 10 KKGE CCCCN(C)C(=O)CCCCCCCCCC[C@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](Cl)[C@@H]3O)[C@H]12 14253382 FQJIZXBCOKNLMR-LVYPNYJYSA-N 560.263 8.212 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 29491704 SKFXSRKLLBECCA-OOAXWGSJSA-N 567.715 5.573 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650929 CWZQOHWOQZKPES-SSEXGKCCSA-N 518.569 6.102 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 38679383 BAJWCHMEJDUVIC-SONOPUAISA-N 528.605 5.637 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38686098 NUFRJNRUHGPXRI-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 39858543 CUAUYNOBIYEHTP-LGMDPLHJSA-N 501.340 5.103 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811751 NQYSOKQJNOXLFF-JBASAIQMSA-N 522.443 6.416 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813438 PLKUUFVAVQBKGC-OGLMXYFKSA-N 515.353 5.834 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813481 JNESGOKPBWYOAP-ZTKZIYFRSA-N 517.925 5.992 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 40845453 HTEDDOVWBBLQSA-KRDLZBRLSA-N 521.639 5.793 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 40959470 DVRQZDJGDQYNIH-UXHLAJHPSA-N 518.455 6.324 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914987 IEIJAQPIGMMTSE-MUUNZHRXSA-N 519.126 6.322 50 10 KKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 97984992 OIBIFPYSVPRTDL-ANSNAQEKSA-N 538.576 5.762 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)cc1 100078210 LXGQQLCUVJFGAK-UHFFFAOYSA-N 565.120 6.054 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 100360518 BWJLVCQXWJNCBN-WOJGMQOQSA-N 542.227 6.345 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243329 HLPOWKMHRFCKSL-JHDFWYLBSA-N 530.093 6.767 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244979 DJEUGNZWTOYMJQ-RAMZYJDASA-N 546.490 6.385 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101293619 BTPNTZDZAVXEMA-HKBQPEDESA-N 548.570 6.407 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101307570 HFLXHRJJAGLZJV-RUZDIDTESA-N 579.461 7.219 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101333337 ZECYWEKLKAFVPE-NJZRLIGZSA-N 556.666 6.901 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101337772 KCZRDQUBWKLNKP-IEALFICTSA-N 554.650 6.525 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 101339740 PQXPQEHDNYNHHF-CVKSISIWSA-N 544.567 5.069 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368306 LNCYIBJQPVPNFU-GGIKNMFFSA-N 540.616 5.966 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 101373949 BDKSDXSHGKIAOA-PMERELPUSA-N 544.604 5.475 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381136 AWEYKRONYYEABN-HKBQPEDESA-N 587.459 7.083 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383683 DTLKZUPDTFPMGL-JJPKUHKXSA-N 532.571 6.550 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385876 JMEVNIJNHIMSEF-XIFFEERXSA-N 611.094 7.544 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101392047 KPKPUAGUHQITPZ-FQEVSTJZSA-N 596.706 8.606 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101394824 UVBSDOYYTULUAE-YTTGMZPUSA-N 580.681 7.709 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599342 SIOGEGDVTGQHEC-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614978 HXAKTVNIMLQXCV-RVDKCFQWSA-N 547.349 5.849 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1C(C)C 101751319 XXGZTDSSJFZKQV-UDWIEESQSA-N 567.436 5.772 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)c([N+](=O)[O-])c1 102136876 SSIQZTKMXXBSMK-STZFKDTASA-N 529.530 5.070 50 10 KKGE CN1C(=O)/C(=C/c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCCCC3)o2)SC1=S 102618977 VOUABYNSGJBKOW-ROMGYVFFSA-N 570.700 5.115 50 10 KKGE N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102620445 FNVQSDGLYPSDJF-GDNBJRDFSA-N 516.862 8.148 50 10 KKGE C=CCc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)c(OC)c1 103627328 OAWUMIYWUKLBHM-KCSSXMTESA-N 559.460 6.448 50 10 KKGE O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(SSc2ccc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)cc2)cc1 150426852 YFERXIBTEQOZIL-UHFFFAOYSA-N 697.720 9.007 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 150429125 KNJFUEFAMDLMIX-PCYMAAINSA-N 681.321 5.694 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150482951 XKHYEGDIOMEEMM-NDEPHWFRSA-N 668.385 9.531 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205777190 NARVFQPPLYRDHA-QVCSVUSBSA-N 684.749 6.174 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Br)cc1F 230274944 YIDVYOCYTSZLDA-LNHNDHHWSA-N 530.265 6.250 50 10 KKGE Clc1cc([C@@H](Br)c2csc3c(Br)cccc23)ccc1I 232344833 MIJNUDJUIMHGOZ-CQSZACIVSA-N 542.461 7.406 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1Br 234991248 RWZRIPMRIOCFBI-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253560316 ARFNQBGLQUWLFA-UHFFFAOYSA-N 588.781 7.059 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253562314 DCXWGUUUAJTCKT-WPEYCHPXSA-N 621.210 7.640 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CCc1ccccc1 253565237 HLWNGTGCEXOVEH-IWBSIUBASA-N 511.714 6.735 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(SCc4cccc5ccccc45)s3)ccc21 254584003 YFUPERUUDWRGCX-UHFFFAOYSA-N 567.765 7.354 50 10 KKGE CC(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@@H]2[C@H]2CC[C@H]3CC(=O)[C@@H](Br)C[C@]3(C)[C@H]12 254589463 GXFFJSAUBRBFMJ-GGHMGRMXSA-N 537.623 7.838 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=CC(=S)Nc3ccccc3)n2-c2ccccc2)cc1 254879209 GPLQZNMCSLLFSK-UHFFFAOYSA-N 528.707 5.865 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254883505 JIXFRWOVNOIOQZ-UHFFFAOYSA-N 617.728 5.425 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 256028416 KOCVWPRXLUIEGI-UHFFFAOYSA-N 529.474 6.333 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308409779 CFLQFGFTFCHRQN-OAHLLOKOSA-N 525.860 6.393 50 10 KKGE Clc1cc(I)c(Oc2ncc(CBr)cn2)c(I)c1 384980079 NDIRNTDDDOFZGH-UHFFFAOYSA-N 551.347 5.026 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 721594780 RUXFBTADHVVPAD-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE Fc1cccc([C@@H](Cl)c2cc(Br)c(Br)s2)c1I 721672877 OXTQTMTUOQWRHI-SECBINFHSA-N 510.391 6.345 50 10 KKGE O=C(CCl)N(c1ccc(Oc2ccccc2)cc1)[C@H](CNS(=O)(=O)c1ccc(F)cc1)c1cccs1 725238184 FGDVURDFMZBGHN-XMMPIXPASA-N 545.057 5.971 50 10 KKGE Cc1cccc(COc2c(I)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1 1083943359 NHFZAHMXWNBYDQ-UHFFFAOYSA-N 715.123 7.056 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(I)cc1 1083987591 HIFQDARBWPWWSL-XQNSMLJCSA-N 627.910 6.178 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084013919 XKSJKKLVCPYXKA-PMERELPUSA-N 577.537 6.939 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084013922 XUTBHHVWHOVEFA-UHFFFAOYSA-N 633.490 6.221 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)NN=Cc1cccn1-c1ccc(Cl)cc1 1084037051 QFPQRZQTPANZEV-UHFFFAOYSA-N 562.649 5.733 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1084169076 JQTSWGJRKGZDBE-DEOSSOPVSA-N 659.202 7.460 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084271679 NAAFEFCSDWJBIB-OEAKJJBVSA-N 531.406 6.309 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084360917 NSQAWUVFLZVHFI-INIZCTEOSA-N 526.431 5.277 50 10 KKGE O=C(NN=Cc1ccc2cc3ccccc3cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084381792 VALSQZUPIZCOIH-UHFFFAOYSA-N 566.317 7.182 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084402907 UWAFKJGUYDZVOY-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)c(Br)c1 1084419706 CIAZSZBMPOHGPB-UHFFFAOYSA-N 700.472 6.865 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084467336 VWBAQASSDYGMSK-UHFFFAOYSA-N 528.678 5.052 50 10 KKGE CC(CC(=O)Nc1ccc(Br)cc1)=NNC(=O)CCCCC(=O)NN=C(C)CC(=O)Nc1ccc(Br)cc1 1084599909 FWVFMWLBOGZMOC-UHFFFAOYSA-N 650.372 5.114 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nc2ccccc21 1084638102 AUUYDSULQLLZDX-UHFFFAOYSA-N 523.456 5.640 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccccc1 1084648335 CVNDACMQSQGURK-UHFFFAOYSA-N 721.457 7.006 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1084655925 LRGKIUUCJWUAON-MFOYZWKCSA-N 546.794 7.078 50 10 KKGE CC(C)(C)N(NC(=O)Nc1ccc(F)cc1F)C(=O)c1cc(Cl)cc(S(=O)(=O)c2ccccc2)c1 1615946241 IHRBVQQDGFZXKE-UHFFFAOYSA-N 521.973 5.428 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729272 KKZXDLNAILSAHE-UHFFFAOYSA-N 509.404 5.214 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCCc2ccccc2)c(OC)c1 1772755568 MJXDQVNGVSPZFS-UHFFFAOYSA-N 511.416 5.171 50 10 KKGE COc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 1772756195 NRQTWSMPFOFSRH-INIZCTEOSA-N 503.382 5.507 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685111 FSNRJEWMYKQIED-OAQYLSRUSA-N 551.803 6.321 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688052 HPZHABUMVWWFRL-JOCHJYFZSA-N 563.839 6.278 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865692834 JMZRYQRDDYPPGC-DEOSSOPVSA-N 512.997 5.877 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865693074 HMOUXKDVNMPNCA-AREMUKBSSA-N 510.569 5.753 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865697292 ZFPXIRXUGBHUPK-IBGZPJMESA-N 536.213 5.242 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Br)c1OC(C)C 1865698194 MVYUQAFKBHLLOM-IBGZPJMESA-N 563.374 5.976 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701178 ONBZWMCTDMRZSS-RUZDIDTESA-N 507.034 5.951 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702719 CIVYCHLFRHZNQA-AREMUKBSSA-N 517.416 6.344 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865703492 WSVOBMODWQPJSF-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705181 OELDWLXSZTTYAE-LJAQVGFWSA-N 528.612 6.706 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707325 UIXCNODMCQKZJB-NDEPHWFRSA-N 524.068 6.723 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2)cc1 1867044764 FULAZAKTRBOUPS-YWEHKCAJSA-N 569.712 5.809 50 10 KKGE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141677 SPVVLZYXNYZHAR-QDPGVEIFSA-N 522.070 6.367 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4cccc(Cl)c4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433297 HIFGYZWCHWMIMS-UHFFFAOYSA-N 548.499 7.815 50 10 KKGE Fc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1I 1922886073 WFRDXUZQCQYWFL-SECBINFHSA-N 554.842 6.501 50 10 KKGE CC(C#N)=Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951768520 PBVVPQWFVFUQSX-UHFFFAOYSA-N 636.009 5.774 50 10 KKGE CCN(CC)c1ccc(C=C(C#N)C(=O)c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)cc1 2053610830 AEUWMIXQJUIVPA-UHFFFAOYSA-N 513.594 5.303 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085494120 KEUIFEUSKHCCDE-VXGBXAGGSA-N 570.739 6.599 50 10 KKGE C[C@@H]1CCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495121 HQMJMNRKWXVBMY-DDZXGWPLSA-N 524.316 7.453 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CC[C@@H](CO1)C2 2141471523 SJTXQFBDYKBWLY-SMOQUIODSA-N 538.299 6.586 50 10 KKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141473090 KZFLKRPJVALYEF-BUYFANAVSA-N 584.766 6.988 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCCC1 2179825991 NTOWFZLZTPQDFC-UHFFFAOYSA-N 515.311 6.034 50 10 KKGE CCc1nc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2232509352 CJRHRLZFWKEBBO-MRVPVSSYSA-N 543.333 7.675 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2233976278 NWPWTMUJMHYNPQ-CQSZACIVSA-N 550.285 7.559 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Br)ccc1Br 2255960794 QKBWWDYAVABWBX-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE Fc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1I 2277962904 NFXRJDACZFPXHS-LBPRGKRZSA-N 562.840 6.634 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(F)c2C)cc1I 2279138758 DVRSRTSHKUTHCZ-HNNXBMFYSA-N 511.998 6.602 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccccc1I 2285087099 GZJCYJPYPLCJEE-INIZCTEOSA-N 510.007 6.163 50 10 KKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(Br)cc1OCc1ccc(Cl)cc1Cl 2296648404 VECCMXGGXCDTAM-UHFFFAOYSA-N 595.284 7.047 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1nc2ccccc2s1 2313548891 IELCUUOKEMGYIQ-UHFFFAOYSA-N 507.615 7.996 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(C(=O)O)cc1 2313556883 NRMVSCHDGUZXEQ-UHFFFAOYSA-N 535.600 5.448 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NC[C@@H]1CCCO1 2314475847 DHTWESALEVUKRB-NDEPHWFRSA-N 522.580 5.460 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C(C)=C(C#N)C2=O)cc1OC 2314617323 VYVXOPROONQROL-UHFFFAOYSA-N 668.725 7.110 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 2314619048 YYSMUQCONXVBFZ-UHFFFAOYSA-N 554.716 6.450 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 2314620172 LHUMPYROLVPWTD-UHFFFAOYSA-N 649.773 5.413 50 10 KKGE CC(C)(CCCl)C(=O)Nc1c(I)cc(I)cc1I 2315441587 IWAKCXWADFUVHO-UHFFFAOYSA-N 603.407 5.094 50 10 KKGE Fc1cc([C@H](Cl)c2sc(Cl)cc2I)c(Cl)cc1Br 2316770874 ITUBAOCOMCKLHT-JTQLQIEISA-N 500.385 6.889 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 2331245521 UNXHHVSFRKMHGQ-UHFFFAOYSA-N 505.599 6.740 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1 2331312773 YIFOLWSLCQATRI-UHFFFAOYSA-N 500.045 5.896 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OCC)c1 2331386658 XGOVLXJAYPNKBW-QUCCMNQESA-N 503.624 6.010 50 10 KKGE Cc1scc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2343563413 JAIDDJDBAFXWDZ-LBPRGKRZSA-N 617.220 8.197 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1OCc1cccc2ccccc12 6906948 OKGRYQACSXMLJQ-BKUYFWCQSA-N 547.489 6.900 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)[C@H](F)Cl)cc1Br 31500171 ZWCLEORPOFXSKG-AWEZNQCLSA-N 503.674 5.909 50 10 KKGE C/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1ccc(-c2ccccc2)cc1 34954214 ZHSGXODAWIEXKL-MYYYXRDXSA-N 502.206 5.798 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1F 34988519 ROGOGPUMDRKGEL-LTGZKZEYSA-N 505.553 6.570 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651669 WPPHLFMRXFJCLU-DEOSSOPVSA-N 505.368 5.269 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 38684029 YWHRBKAWYVBNNN-SSEXGKCCSA-N 528.605 5.775 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 38686558 FENGSOLONDLCKX-SSEXGKCCSA-N 518.569 6.102 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813007 BRCPBTYNEUCPHR-OVVQPSECSA-N 501.326 5.526 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2Br)cc1 50552059 YTFRTXATFUPQSE-ZDLGFXPLSA-N 523.228 7.040 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 59460584 GNDHJTNYBRJDLL-JVCXMKTPSA-N 508.559 6.329 50 10 KKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc4cc(Br)ccc4c3Br)ccc21 100061890 WWRKTYSVVJOMGZ-FJEPWZHXSA-N 579.292 7.022 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(OCc2c(F)cccc2Cl)c1 100188498 CKTRXJAQEFPIAF-WKULSOCRSA-N 528.968 5.342 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 100238600 AWRKYNLHKRZHMO-APTYXWLQSA-N 599.478 5.488 50 10 KKGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1CSc1ccccn1 100292816 MWGNKXMWGSCPJE-KCSSXMTESA-N 611.709 5.781 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 101364733 HGRPUIFPCOSXFQ-JOCHJYFZSA-N 526.332 5.738 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101367062 MOAPCFHHSCGYEY-HKBQPEDESA-N 532.596 6.050 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1 101367497 FAPZDABHOXOIJP-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386520 WBWKSUIIFNBONK-YTTGMZPUSA-N 578.640 7.148 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101390564 JMTALJPVFCHPQU-DEOSSOPVSA-N 531.362 5.950 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 101393649 QPWXTTNGFLLODG-VWLOTQADSA-N 559.416 6.567 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101398054 CRCLKVBCZQDBTB-MUUNZHRXSA-N 599.495 8.224 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602958 DTRORRMIATZBBT-WEMUVCOSSA-N 579.440 5.358 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C(=O)OCC)c1C 103628200 FUCRYEXIYBLUFW-GHRIWEEISA-N 509.609 5.685 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741862 BFGHEDJFHVAKMB-RDKICWGTSA-N 601.353 6.541 50 10 KKGE Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)s2)cc1 103900691 NQJBVXRQQFJUFQ-XYGWBWBKSA-N 566.668 5.598 50 10 KKGE Cc1ccc(SCC(=O)NNC(=O)c2ccc(Oc3ccc(C(=O)NNC(=O)CSc4ccc(C)cc4)cc3)cc2)cc1 104900155 OFXRXYVMWWKDCY-UHFFFAOYSA-N 614.749 5.202 50 10 KKGE Cc1c(C(=O)NP(=O)(N2CCCCC2)N2CCCCC2)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 109413555 UKLPELCAWWKBMD-UHFFFAOYSA-N 572.002 5.850 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 150429303 WWCMIVDYKSSTFB-ZZJXEYPFSA-N 655.302 6.134 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 163793686 XUSRBEBQYVYSJX-QLQYKETESA-N 653.533 7.865 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Br)cc1 164710033 DTYFFNWENACLMO-CIAFOILYSA-N 631.308 7.194 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206303929 NJEDMQLLXJBCNZ-XRIFNLFXSA-N 527.573 5.680 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)c(Cl)c1 234995246 MZTTWIKAXHTNML-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1C 254605393 AYXHNBZMAYWGBR-UHFFFAOYSA-N 530.628 6.264 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 254729750 HMTUOUNZCJDYMH-UHFFFAOYSA-N 508.703 7.846 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccc2ccccc12 254744535 DTTZUEYJNHTQEW-QHCPKHFHSA-N 556.695 6.817 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccco3)cc2)cc1 254838051 CSEIOLKOTQJEQM-PMDZYFRGSA-N 576.653 5.666 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@@H](Br)C23CCCC3)c(I)c1 311435368 SRWBUQOVXSFVRV-VXGBXAGGSA-N 567.430 6.024 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Cl)ccc2I)C1 382698303 BOLBJHYOPGBLHT-WMLDXEAASA-N 534.619 5.692 50 10 KKGE ClC(Cl)O[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 396508152 CQHLMUYIWPPHNS-UBLLTGQXSA-N 623.573 7.462 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575626888 ACJHNDYFTFXEOF-BLGFXJOZSA-N 984.181 5.736 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1 642814229 REFVJEJOKUQSME-UHFFFAOYSA-N 517.568 8.441 50 10 KKGE CCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 725390356 NHZCWIWCFOYKOI-FYYLOGMGSA-N 507.412 6.043 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084155413 KFZFLMRNAWYDEI-AREMUKBSSA-N 595.490 5.848 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1ccccc1Br 1084179189 JDTUUYMGXGGRFE-UHFFFAOYSA-N 706.072 5.909 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084179237 ZFAXALRBIIYXEZ-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cc5ccccc5cc4O)cc3[N+](=O)[O-])sc2c1 1084394977 QLNHAVUJIYZSOL-UHFFFAOYSA-N 633.711 7.539 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084419019 JCTWORXWROFTDD-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c(Br)c1 1772746012 PHDQGCDQFQNVOM-UHFFFAOYSA-N 549.252 6.688 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749684 XHVYLZPXYQXFBS-UHFFFAOYSA-N 512.009 6.482 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2C)cc(Br)c1OCc1ccccc1 1772753475 KZVQYBWXHAULGT-UHFFFAOYSA-N 511.416 5.491 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865687541 UMCZMJXLLKSDBJ-XMMPIXPASA-N 523.431 5.739 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687753 ZJRTWTPMHHABFL-NDEPHWFRSA-N 541.051 6.343 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865691142 KKMXGWLEMZMBGJ-HHHXNRCGSA-N 579.539 6.805 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865691396 QUKKGNKAAOCJSY-NRFANRHFSA-N 543.849 5.866 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865691990 GXXXFCUPNFOUAP-HSZRJFAPSA-N 557.876 6.392 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)c1 1865693390 JJJLCARNUPJFII-SANMLTNESA-N 527.024 6.267 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865693501 WJDVAEXHMJCDOX-QFIPXVFZSA-N 538.446 5.388 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865696648 PEAOCMULAOTZKU-HNNXBMFYSA-N 511.685 5.231 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cc(Br)ccc1F 1865702254 QQOMUYXHYAIPHR-JOCHJYFZSA-N 501.359 5.718 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702643 YCOGGYMTQLMOHY-QFIPXVFZSA-N 525.342 6.351 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704358 UFBBKFKNNIYDOT-RUZDIDTESA-N 541.479 6.604 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710083 NUKOUPBHJOOWDH-MHZLTWQESA-N 565.586 5.121 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Br)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415266 WCWIDDCLCKJMRX-QFIPXVFZSA-N 576.951 8.088 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)N(CC)CC)c(OCC)c3)n2)cc1 1872781152 WSPCMNUQRDSVHC-KOEQRZSOSA-N 517.695 6.863 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1Cl 1872793560 GXWHKMXRANVJFR-CIAFOILYSA-N 503.023 7.432 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OCCC 1872818229 SSWXXFGLEGUDJV-PMHNHTQJSA-N 517.651 6.229 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c(F)c1F 1923072041 MKSJXUUWDIZSQN-YFKPBYRVSA-N 517.361 6.967 50 10 KKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 1924616364 OATILDUYDZKIMF-CAHLUQPWSA-N 529.864 6.907 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OC(=O)c1cccc2ccccc12 2053589894 CNTWHCNUKYQNST-UHFFFAOYSA-N 586.398 6.674 50 10 KKGE CC1(C)CCC(C)(C)c2cc([C@H](N[S@@](=O)C(C)(C)C)c3ccccc3P(c3ccccc3)c3ccccc3)ccc21 2080759205 RNECRLNZVHVLRD-GVICWXJLSA-N 581.806 7.935 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1ccc(Br)cc1Br 2083333366 GNXVGNHWKKPGTA-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE FC(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496586 XCTHAKXOVCKPOR-FXLGRURVSA-N 576.693 7.074 50 10 KKGE Cc1cc(Oc2c(I)cc(Cl)cc2I)ncc1CCl 2095580157 SYSSELYKLQDHKY-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Cc1cc(Br)c(CBr)c(-n2ccnc2CCCN2C(=O)c3ccccc3C2=O)c1 2116805069 AYCKRDMANZYCOX-UHFFFAOYSA-N 517.221 5.067 50 10 KKGE Cn1c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cnc1Cl 2141469134 RWCGXXKMNKWYBZ-JTQLQIEISA-N 556.705 6.452 50 10 KKGE COc1ccsc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470239 FNYIGDSHCIFTPM-LLVKDONJSA-N 598.774 7.291 50 10 KKGE CCCC[C@H](CC)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471375 QRGHMIOYKJXEHW-QPUJVOFHSA-N 584.810 8.389 50 10 KKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(Br)ccc1I 2156325895 IFLOAHROTOYUHD-JTQLQIEISA-N 517.043 5.231 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1cc(Br)ccc1Br 2175148154 VORUNTZOIRGXIY-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Br)c2F)c1Br 2201073384 ZQUCZPSKOVJTPB-CQSZACIVSA-N 529.867 7.214 50 10 KKGE CO[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206393724 ASMMRAADYARPNT-WGZSSWNPSA-N 554.342 7.222 50 10 KKGE CC1(C)OCCO[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396494 XQANCNMETGSKBN-RYUDHWBXSA-N 556.314 6.211 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@]12CCCOC2 2206397555 KNEFOGMGMIXEHE-ISEFBEROSA-N 552.326 6.833 50 10 KKGE C[C@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Br)cc21 2225695047 CAWOVWGFXVDRCJ-CQSZACIVSA-N 500.662 6.511 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c(C)c1Cl 2232510977 OUHYXFLTDMKXTH-CQSZACIVSA-N 546.322 7.729 50 10 KKGE BrC[C@H](OCCOCCOCCOCc1ccccc1)c1cccc(Br)c1 2236085028 MSNJQNIAAHJFLI-NRFANRHFSA-N 502.243 5.152 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(Br)ccc2Cl)[C@H](I)C1 2245930663 KTWMGDIUWNXGEN-KGLIPLIRSA-N 516.601 5.042 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)O)cc1Br 2295178769 YGTIHYNNCWCIDF-UHFFFAOYSA-N 506.150 5.020 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295672374 RKVJUDMJLNPLCB-UHFFFAOYSA-N 534.594 5.208 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2296707862 SOTVBSLWGCEMDW-UHFFFAOYSA-N 525.674 7.145 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1 2296730216 IMXUBXAGMOXSAO-UHFFFAOYSA-N 502.618 6.474 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N 2313570881 IKSXLTCXBAIINI-UHFFFAOYSA-N 567.270 7.481 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1Cl 2313630367 HTTNUZVMAZKJNF-UHFFFAOYSA-N 518.038 6.675 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)nn1C 2314485589 BMOKJTKWMJUYPC-SFHVURJKSA-N 529.070 6.317 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592314 QOLUTLJPCKRVOE-VWLOTQADSA-N 518.038 5.976 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594013 XMKVRZNUAJYGAX-DFHRPNOPSA-N 509.675 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314616744 IVFKAXZGNLWBLT-UHFFFAOYSA-N 534.619 6.793 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314619860 GIIVWSPESGXMRN-UHFFFAOYSA-N 607.110 6.825 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314619994 IWKSLJAANFOMRQ-UHFFFAOYSA-N 516.956 5.859 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCC(C)C 2314634708 BXQKRSMFSMZLEH-SSEXGKCCSA-N 510.590 5.875 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634846 UXQGSKVMFHLNDW-YTTGMZPUSA-N 536.672 7.246 50 10 KKGE ClCc1cnc(Oc2cc(Br)cc(I)c2)c(Br)c1 2316721861 MMHFDYYDULNISB-UHFFFAOYSA-N 503.359 5.742 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)c(Br)nn2C)c1Br 2316833742 FVCIBIVKFUUPHB-YFKPBYRVSA-N 586.767 6.324 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCCCc2cc(Cl)cc(Cl)c2)C1 2318686908 AWBJZMHAPCAYLJ-JKSUJKDBSA-N 500.204 5.366 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2)sc(C(=O)OCCOc2ccccc2)c1C 2325311274 WFHCXBMIYZUDTN-UHFFFAOYSA-N 504.564 5.015 50 10 KKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331403808 HCAKCFPSFCAQBM-UHFFFAOYSA-N 518.381 6.867 50 10 KKGE FC(F)(CI)C(F)(F)CNCc1cccc(Br)c1Br 2336537441 WVPYKUJNGBGGNJ-UHFFFAOYSA-N 518.912 5.007 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337110685 DCPOUBGOENRFIP-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1scc(C(F)(F)F)c1Br 2364236633 SBDQGBDLHJYWPR-ZCFIWIBFSA-N 517.390 6.116 50 10 KKGE CCN(C[C@@](C)(CBr)OCCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2364697207 WBFSKEWHPNKDEC-HXUWFJFHSA-N 509.279 5.427 50 10 KKGE BrCCCCCCCCCOCc1ccc(I)c(Br)c1 2377636675 QBUHYTUVNSRRDL-UHFFFAOYSA-N 518.071 6.696 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 3088110 OTKORCBYPNIUNY-FJEPWZHXSA-N 501.454 7.496 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38682866 HORQOYTZYTZJEN-MHZLTWQESA-N 504.970 5.721 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 38700629 BFLXKEZPOQHMCC-DEOSSOPVSA-N 517.006 6.781 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccccc1Cl 40911098 BQTADRJKYCLLRP-UVHMKAGCSA-N 517.807 5.528 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCc4ccccc4)cc3)cc2)cc1 100164619 UURXUAKQMMAYGJ-UHFFFAOYSA-N 535.644 5.933 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 100212171 KYUSWDJXSCZOJD-UHFFFAOYSA-N 590.312 5.797 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 100236105 PFSZJUOCIFYPLJ-WUKQQSQZSA-N 569.496 6.098 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101335012 ZHQGXCBTCYFMCA-UZWMFBFFSA-N 594.646 7.050 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101337573 HQRPMTQXWFTHAG-WVDSIQFCSA-N 556.666 6.990 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101368096 DTSHDNHNYZQXIF-JGCGQSQUSA-N 570.686 6.764 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 101372293 USCRXUOTSYQGSG-YTTGMZPUSA-N 556.659 6.474 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374006 CMRVBTYAOLHWMG-SONOPUAISA-N 546.595 5.994 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCCC(C)C 101374934 DZAQIPXPVLOSIP-HKBQPEDESA-N 542.632 6.021 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 101375242 LAIQHFYLNDFHCY-SSEXGKCCSA-N 526.633 6.790 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384607 XQEUKGFYJLFOJS-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386686 ULOCSFASCOQKKD-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101399004 BIHBQHPMPGXFDN-ZWXJPIIXSA-N 576.605 5.546 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2)cc1COc1cccc(C(F)(F)F)c1 102363810 GNMTYMUFRJEAMC-ROPCREHHSA-N 587.392 6.738 50 10 KKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C)cc1C 103723811 XXXKLHOPFZEUEU-YLKCYHHESA-N 564.753 7.615 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 103796206 UHYMVPOWKUJCRQ-XICOUIIWSA-N 553.622 7.128 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 103796656 VGMTYBGMNNUGAO-ODNPBWNPSA-N 616.918 8.351 50 10 KKGE CCCCN1C(=O)/C(=C/Nc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N(CCCCl)C1=O 103840217 HLWZCRSPAWQGIJ-SILNSSARSA-N 502.398 5.087 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2ccccc2o1 103877633 KDIQOMYKZIDTMR-LUOAPIJWSA-N 572.209 6.029 50 10 KKGE Clc1cc2c(cc1[C@H](Br)c1cc(Br)c(Br)s1)OCCO2 128554373 IRVXMVMXSCFKJJ-LBPRGKRZSA-N 503.437 6.182 50 10 KKGE N#C/C(=C(\C#N)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1 150375290 JIFCBAJUTLIKAJ-KZXRXFMCSA-N 664.812 12.891 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)cc2)cc1 252512204 OAWRVMSLNBACSW-UHFFFAOYSA-N 507.543 5.049 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(C=NNC(=O)C3(C(=O)NN=Cc4ccc(OC(=O)c5cccc(C)c5)c([N+](=O)[O-])c4)CCC3)cc2[N+](=O)[O-])c1 254343627 RLWARZYWTSVGMM-UHFFFAOYSA-N 706.668 5.329 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 254384855 MKAYWTVDFLTCPH-UHFFFAOYSA-N 573.719 5.808 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1O 254442973 IJKBERZUBFWTGH-UHFFFAOYSA-N 510.666 5.330 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(Br)cc3)c2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 254449946 BEXJTHPJOQKMIV-FTJBHMTQSA-N 655.018 6.815 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Br)cc(Br)c1O 254616887 WTUSRUATOZYFKW-UHFFFAOYSA-N 614.751 5.203 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254738510 BCRIZQCRASOTAL-UHFFFAOYSA-N 562.420 6.109 50 10 KKGE CCCC(CBr)(CCC)Cn1cnc(I)c1I 304266690 CRDNVBMLCMTAJH-UHFFFAOYSA-N 525.010 5.074 50 10 KKGE Br[C@H](c1ccc(OCc2ccccc2)cc1)c1cc(I)cc2c1OCC2 311751592 TZMPGYQROKWEKF-OAQYLSRUSA-N 521.192 6.289 50 10 KKGE CC(C)[C@@H](CBr)COc1c(I)cc(Cl)cc1I 384147790 OZVHJYWVXSRUJF-QMMMGPOBSA-N 543.408 5.595 50 10 KKGE CC[Si](CC)(CC)O[C@H](C(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)C(=O)[C@@H](O)C(=C1C)C2(C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 504767953 SNFQGZFZXWNAEJ-BHICRNFSSA-N 922.154 6.289 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)(C)C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591390 YXADDVIQROVGOJ-BVAFDOMYSA-N 630.892 6.196 50 10 KKGE Clc1cc(I)c(OC[C@H](CBr)C2CC2)c(I)c1 701861894 DVPVTCQYIXVZIJ-QMMMGPOBSA-N 541.392 5.349 50 10 KKGE Fc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1F 721572536 LZZCFLLPJYHWTB-SNVBAGLBSA-N 501.934 6.011 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(C(C)C)cc4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725407774 KYJSUUOATYXMPK-CYBCHLBCSA-N 676.839 7.159 50 10 KKGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1081086638 BVZMXPYUNNBVOE-UHFFFAOYSA-N 514.965 5.911 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084101755 WUWKSBWWAPXSMX-UHFFFAOYSA-N 612.705 8.107 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084128103 WERBPAKRIVKXRP-ROCBYOHGSA-N 564.154 8.613 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 1084242579 LVWQPBCTZKARHG-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE Cc1c(Cl)cccc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1084390770 YOPJMOCHJCZVCB-UHFFFAOYSA-N 521.064 7.586 50 10 KKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C)c(C)c1 1084491003 JZCDSSZYJKKYAD-UHFFFAOYSA-N 564.753 7.615 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(Br)cc2)cc1 1084496108 GGCXEYWHTOREHX-UHFFFAOYSA-N 648.410 6.817 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)cc2)c2ccc(C)cc2)cc1Br 1084542441 RSIMSEMSXGOQDP-UHFFFAOYSA-N 637.512 5.834 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084566733 DQIRLEZJZHJKKZ-QHCPKHFHSA-N 571.269 5.626 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC 1772755153 QDRGBXGKUFSHIQ-UHFFFAOYSA-N 540.892 5.876 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1F 1772755213 UTACNZMUDZGKSJ-UHFFFAOYSA-N 634.980 7.585 50 10 KKGE Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)(CCl)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 1848437395 KRTVOLFTDCOVAN-UHFFFAOYSA-O 543.095 5.301 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682739 WQYULPUFNZYUSX-SANMLTNESA-N 525.052 6.776 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688766 ADPGXRTZIMKGGE-IBGZPJMESA-N 560.246 5.282 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700879 GUBBRYXUYCLGLF-SANMLTNESA-N 565.888 7.251 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701386 UMKVLZSPPWJLRG-HHHXNRCGSA-N 563.460 7.127 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701450 VYCRDXGQTYVKPK-GOSISDBHSA-N 564.665 5.596 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709958 LBPMIOGWGQHMNO-HSZRJFAPSA-N 548.386 6.040 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866662142 QBVNPDORFPKCJK-VWLOTQADSA-N 514.582 5.271 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867048391 AEUIQXXOKZZBOQ-VWLOTQADSA-N 512.660 5.682 50 10 KKGE CC/C(=C\C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867116225 ZOVUUUMLRZEAMZ-RALKEJGDSA-N 564.505 6.190 50 10 KKGE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867195590 CMZGVKMICXYLJH-DEOSSOPVSA-N 527.444 5.452 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CCCCC4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868413573 BAFWZIDFZZSLMH-UHFFFAOYSA-N 533.101 6.343 50 10 KKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433536 NBLVHGLMMCEKPH-UHFFFAOYSA-N 521.049 7.665 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@H](Cc4ccccc4)COCC3(C)C)n2)cc1 1868545512 YNUFIOXXQRMHJR-MUUNZHRXSA-N 563.771 7.984 50 10 KKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745405 LOCLCTUKRWFKKT-RFBIWTDZSA-N 503.583 6.439 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)c(C)c1 1872757169 SXIZHKVVSQEUSW-SHAAYRAFSA-N 506.671 8.556 50 10 KKGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758822 RRWBATLOOLOVTN-JXAWBTAJSA-N 515.334 5.504 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1872791208 BKJJZARXYTYBGQ-SGWCAAJKSA-N 508.687 8.802 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873793573 QOPGIKYGEAPWTN-BXPUGBIQSA-N 508.446 5.962 50 10 KKGE FC(F)(F)C([C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924600913 UKYBMXCRHJHXFM-UWTATZPHSA-N 563.775 7.212 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCC23CC3)c1Br 1924612601 MRXXOPSNJTVXNW-POYBYMJQSA-N 507.911 7.052 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)n1 2010562988 NBRCFWIISDXZFC-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE Cc1csc([C@H](Br)c2ccc(Br)cc2Br)c1Br 2024283338 PBJLPUYOWXBJPB-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2042013854 JASGYEILAKYCON-LJQANCHMSA-N 531.325 7.845 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(Cl)ccc2Br)C1 2080304201 JNBJVBWWTQESBQ-SFHVURJKSA-N 544.655 5.824 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)c(F)c1F 2093948277 YGYTUVFWIKMZIQ-ZETCQYMHSA-N 543.822 6.937 50 10 KKGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@@H](Br)C1CCCC1 2110720456 CWYVINBHWWQAMI-NSHDSACASA-N 518.869 5.866 50 10 KKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)Cc1cccs1 2123268194 DDQCFUHMSSLDFJ-UHFFFAOYSA-N 515.292 5.797 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@H]2C1 2141468762 NIWXDYXGLFDDTN-IJUVOGGTSA-N 536.327 7.453 50 10 KKGE CCc1nc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2201079989 WBOABFJPRLYCCY-LBPRGKRZSA-N 546.948 7.094 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)c(F)c1Cl 2201613965 DVESSTVVWLYPJB-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccoc2Br)c(C)c1Br 2220158743 RGRWXSTVTMVTTG-GFCCVEGCSA-N 501.838 6.668 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(I)sn1 2263455014 SUCNOTQNFUWKMB-JTQLQIEISA-N 523.415 5.657 50 10 KKGE Cn1ncc([C@@H](Br)c2cc3sc(Br)cc3s2)c1I 2263632029 UQHCBWKXVRIGMG-SNVBAGLBSA-N 518.037 5.548 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)c1F 2279155627 LQRSYZZFQWTMDM-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345183 PTSLDVRQSIMVOX-LLVKDONJSA-N 537.793 6.876 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2293531475 GOOXWDXAIGMCNQ-UHFFFAOYSA-N 635.935 6.853 50 10 KKGE Clc1ccc(I)c(COc2c(Cl)cc(CBr)cc2Cl)c1 2296309393 VKMWUTSCDDLVMY-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(SC(F)F)cc1 2297488347 GXYRJPJTFPFDHK-UHFFFAOYSA-N 512.541 7.146 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 2313568411 RVGHZRCQKMQEDO-UHFFFAOYSA-N 535.394 6.010 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 2313730214 GPHAOXHAIWOBMM-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314489136 OLUHVYIDXJOYIN-UHFFFAOYSA-N 525.800 8.201 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594083 YWCYXIRDUPYSJJ-HSZRJFAPSA-N 538.456 5.745 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634420 QKGPCMJNIHISBX-VWLOTQADSA-N 509.414 6.552 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 2314734789 INJOLQJSGGGAQW-UHFFFAOYSA-N 526.814 6.777 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 2314748804 UJDJXBLHQFKUIV-UHFFFAOYSA-N 508.530 5.024 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)c2C(=O)OCC)cc1 2329663816 WQFNIJMQLFVAPG-UHFFFAOYSA-N 539.451 6.689 50 10 KKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1c(Br)cc(Br)cc1Br 2329697156 IVVCPXIEPYLGJQ-UHFFFAOYSA-N 563.869 6.282 50 10 KKGE N#CC(=C(O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360094 AGWALBCTMSSJRB-UHFFFAOYSA-N 510.575 7.061 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404533 OQYXVZCDYJYZIU-GFCCVEGCSA-N 520.825 6.625 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)c1Br 2337099085 UKXGOVYLRICSKK-SECBINFHSA-N 576.732 7.919 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2358264594 OREKFRWSFZPTJW-MAWXCIHNSA-N 550.310 6.440 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2OCc1cc(I)ccc1Br 2367601674 LSCOGTBFKPOFLB-CXOGBFNASA-N 514.039 5.913 50 10 KKGE COc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1 1095563 ADTHHTAUXQSQSH-XSFVSMFZSA-N 500.396 6.315 50 10 KKGE C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 20311534 RAXRMQHOVSHZPM-HJHSVFMCSA-N 503.396 6.099 50 10 KKGE CC[C@@H](Cl)C(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 25160620 XJKWMXUTCOLPKY-CJFMBICVSA-N 516.947 6.947 50 10 KKGE CCCCCc1ccc(-c2ccc(C(=O)Oc3c(Br)cc([N+](=O)[O-])cc3Br)cc2)nc1 33353674 MHJZVUZEZILXCQ-UHFFFAOYSA-N 548.231 7.134 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1Cl 35447455 MWEVXDJUKMCJJS-PGMHBOJBSA-N 511.050 8.045 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 38686791 OFKFUKCSJXLDSP-SSEXGKCCSA-N 522.532 5.607 50 10 KKGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NC(c1ccccc1)c1ccccc1 40783678 DWEDTPOLNDGUNZ-UHFFFAOYSA-N 509.397 5.089 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825742 CIYBWZUOIGCMCS-ZCTHSVRISA-N 502.958 5.521 50 10 KKGE ClCCc1nc2cc(I)ccc2n1-c1ccccc1I 97353797 GUPBPUPQAIPFGQ-UHFFFAOYSA-N 508.528 5.016 50 10 KKGE Cc1ccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2ccc(F)cc2)cc1 97637635 OZKOLWGSLROGMS-ZZIIXHQDSA-N 504.631 5.138 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100163437 PQIOYMAXUMWDPY-UHFFFAOYSA-N 593.110 5.301 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241127 CYRLCXGNVMXMHY-FYAMCCBRSA-N 538.456 5.745 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 101304884 QCSUVIFERIGCBT-RBABYGSYSA-N 534.616 5.184 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 101336584 BIPYHBKBUGSHSU-YDZHTSKRSA-N 524.964 5.587 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362507 QQTPNQDEEVNNIV-WENCNXQZSA-N 536.559 5.996 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101368154 RMPHCDWJYUSIBO-ICACTRECSA-N 570.686 6.979 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 101376257 NXJSIYWSBBPMGE-AREMUKBSSA-N 533.422 6.455 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381231 HTUBSSFHIQCCLK-WJOKGBTCSA-N 601.486 7.797 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)ccc1Cl 101384364 SLIRWFMBFJYKON-HKBQPEDESA-N 571.004 6.569 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387418 NULFPGOCMJFJDD-JGCGQSQUSA-N 629.540 8.316 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1 101392916 CFNGGRMVFWRCHT-HKBQPEDESA-N 558.590 6.766 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 101395004 AXRGEKNWXYWEFC-VWLOTQADSA-N 531.033 7.171 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618969 HFQLZDMOCYPRFW-XBQJKBNESA-N 565.029 7.305 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5cccc(Cl)c5)c(C)c43)coc2c1C 101619871 STNXMRKLCPAENB-DFKUXCBWSA-N 547.011 5.079 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2[nH]1 103612510 BCNNSHBZGPKISF-LYBHJNIJSA-N 548.672 6.044 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1I 103736188 WPARAECFYJVSIV-KKMKTNMSSA-N 550.183 5.813 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103796780 BSLDBCPKNBTLMO-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150459595 LZRXKLNHFQTSSM-IBGZPJMESA-N 630.695 7.173 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(I)cc1 163799465 COYFZZQLNVRILG-FNTLCPBMSA-N 681.574 8.137 50 10 KKGE C[C@@H](O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754049 KFUWLVZCEDFJIK-HETDZBIISA-N 553.065 9.080 50 10 KKGE CC(C)(O[C@@H]1CCCCO1)c1ccccc1CC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 199743275 IWXWLTJEVIIJGG-UBJCEOPFSA-N 656.383 11.533 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205650358 CCFMWGVIYPIGGN-YKZAVVLPSA-N 526.589 5.720 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206396055 JBGPGEJEXIXWIH-KVDWRSFWSA-N 568.670 6.505 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 229790277 MPDRBMWFDJELIO-ODISMJKISA-N 742.806 13.221 50 10 KKGE biogenic Cc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2I)cc1C 235844334 ZPIXBNVDGUMKPF-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 251442204 VOXJHJRLIGNTTG-TUFBUENXSA-N 644.722 9.986 50 10 KKGE biogenic COc1cc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 254290716 NUHFHYQJHKQFOR-UHFFFAOYSA-N 636.749 6.413 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)n2-c2ccc(OC)cc2)cc1 254291224 WFUCQQMKEQVTLQ-UHFFFAOYSA-N 609.708 5.782 50 10 KKGE Cc1ccc(-c2cc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3N3CCCC3)c3ccccc3n2)cc1 254301510 QELGBTGGZOZZNV-UHFFFAOYSA-N 514.633 6.068 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 254395695 ZTUQCRBVKBCCHE-MXFIHGMZSA-N 507.631 5.021 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nc2ccccc2c1=O 254402862 MOQXSFSHPHTHSH-UHFFFAOYSA-N 520.614 5.729 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccc(OC)cc2)cc1 254872560 RDHCWBLUUMDNPP-UHFFFAOYSA-N 549.656 5.861 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@H]2Br 261366771 NDQJQWVKFXJELT-IGKWTDBASA-N 584.190 6.901 50 10 KKGE CC(C)C(C)(C)[Si](C)(C)O[C@@H](C)[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C(C)C)[C@@H]1OC(=O)c1ccccc1 504286226 QLJVMOZIMIABRD-QQKQFIJSSA-N 519.875 7.316 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)c(C)cc2Br)s1 688058151 CGNGDJGJVPNVBW-ZDUSSCGKSA-N 503.481 6.866 50 10 KKGE Brc1cc([C@@H](Br)c2sccc2I)cc2c1OCCC2 689530096 WXEQYOLIFICNNA-GFCCVEGCSA-N 514.020 5.925 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817602 SAHJWPXTHJECLJ-ZPZOKNLESA-N 755.034 6.751 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 1084001047 VZGNVRXEHWDOOA-UHFFFAOYSA-N 529.640 7.113 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(Br)c1 1084079290 RRHBHUVWOVIAIX-UHFFFAOYSA-N 565.427 7.246 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084148454 KTXDXPSKQLNXID-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2ccccc2c1 1084481367 DSNMQILOJIBRRY-UHFFFAOYSA-N 669.313 7.695 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl 1084569629 JUXRCJBRPOALKT-UHFFFAOYSA-N 627.992 5.894 50 10 KKGE COc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C)C[C@]2(C)[C@H]1CC[C@]2(OC(C)=O)C(=O)C(Br)Br 1614719109 CQPHZFNOXSLULF-VXAUCEKGSA-N 542.308 5.784 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2)c1cccc(C)c1 1772747347 NRLPERDYJNXXNM-UHFFFAOYSA-N 509.404 5.191 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683009 CULIUXLVGGPHKQ-VWLOTQADSA-N 512.013 5.545 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684063 MFSXZRAQPLXDOX-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1865686649 YJPFPEZGOGZBCB-QFIPXVFZSA-N 525.798 6.916 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688557 VCORNVJCQPEYLL-NDEPHWFRSA-N 520.633 6.464 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OCC 1865688984 GRHBGQHPMTYLEZ-HHHXNRCGSA-N 538.604 5.572 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689050 IUFLAQQEMKHGIU-FQEVSTJZSA-N 547.812 5.371 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689474 AFOHLLDJAUPNHS-GDLZYMKVSA-N 510.597 6.645 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691541 VERDHGDVAZNFPT-SANMLTNESA-N 539.051 6.472 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697360 QKXPVDSDINXOES-JOCHJYFZSA-N 575.866 6.064 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704299 SAXLTTIXQIKVCD-SSEXGKCCSA-N 551.021 6.983 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705350 SXJIPPYDHJRBOW-HHHXNRCGSA-N 541.051 6.592 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714084 CCMNBFKXHGVNOB-HSZRJFAPSA-N 565.830 6.380 50 10 KKGE CC(C)c1ccc([C@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962954 YLHKDSVSNWYYAW-URLMMPGGSA-N 545.774 7.180 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2cccc(Br)c2)c2nccs2)c2ccccc2)cc1 1867041144 WXZAFXGQILIXSI-ZCYQVOJMSA-N 577.529 6.497 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(Cl)cc2)cc1 1867220726 PPZONVTVTSJNFW-SMCANUKXSA-N 570.114 7.330 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207858 QQOPSRWMVODIPU-DEOSSOPVSA-N 555.729 6.074 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872753358 TTXWGCSHDQRBRR-QNGMXQGTSA-N 515.679 7.001 50 10 KKGE CCOP(=O)(OCC)C(F)(F)C[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 1887510412 VOYBPRCJLCFJHA-GOSISDBHSA-N 529.659 5.913 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 1912970507 YAPZOKIFKDICCL-JTQLQIEISA-N 504.867 6.223 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595019 SNLPEDKTBNZDNW-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE FC(F)(F)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924601851 OXFGOQGWOAVINM-SECBINFHSA-N 513.398 7.383 50 10 KKGE CC1(C)C[C@@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924612906 FFAVNAYHPCSCHO-NKWVEPMBSA-N 509.927 7.298 50 10 KKGE O=C(c1cc(I)ccc1F)N(Cc1ccccc1)[C@H](CBr)C1CC1 2003649888 OLKGJFCKSWGTDR-GOSISDBHSA-N 502.165 5.246 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2054662006 XAIQBZNFPUNWMQ-XECBKSLKSA-N 769.972 6.801 50 10 KKGE FC1(F)C[C@@]1(Br)COc1c(Br)cc(Br)cc1CBr 2082494968 TVAZYVDLLWKSKB-SNVBAGLBSA-N 513.796 5.658 50 10 KKGE Fc1cc(Br)cc(Oc2ccc(Br)cc2Br)c1CBr 2114263534 BIFSHVPAAMOTKU-UHFFFAOYSA-N 517.812 6.800 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2125297659 BVXZYOCPVPWXFB-ZCNNSNEGSA-N 503.775 5.440 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)sc2Cl)c1Br 2136380231 SMOQNCVUJOPUGF-LBPRGKRZSA-N 507.900 7.681 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccccc2I)c(F)c1Cl 2136966660 MDWVDNVJRSKXJB-NSHDSACASA-N 522.352 6.470 50 10 KKGE CC1(C)CO[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469773 WVHJQOKXCBUVSZ-UFBFGSQYSA-N 584.766 6.988 50 10 KKGE Clc1cc([C@@H](Br)c2cccc(Br)c2Br)c(Cl)c(Cl)c1Cl 2148750460 HDZAZBFNYJDCNK-VIFPVBQESA-N 542.707 8.310 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Br)c(Br)c1 2185906975 HSMVQUNOTRWWKN-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)nn(C)c2C)c1Br 2201072084 HZNHQHJCLZRHNJ-CYBMUJFWSA-N 529.896 6.117 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1C(F)(F)F 2206394114 DXCIDFQASNJJBS-PFZYVWIYSA-N 608.710 7.761 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cc3sccc3s2)c1Br 2206399315 FQOGEWAXNIOUJH-CYBMUJFWSA-N 624.837 8.497 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Br)cc2I)c1Br 2207276686 YPBCIFCKVADDCJ-SECBINFHSA-N 604.849 7.381 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)cc1C 2236015469 ZPTNINOQBYVZOR-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE BrC[C@H](OCCOCCOCCOCc1ccccc1)c1ccc(Br)cc1 2236090178 WQDUZKBEMNWPGD-NRFANRHFSA-N 502.243 5.152 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)ccc1I 2288496917 NBUVORLOKTZCRV-GFCCVEGCSA-N 601.248 7.185 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293738401 RLCNGZAVISYBBC-UHFFFAOYSA-N 554.676 6.356 50 10 KKGE Clc1c(Br)csc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299531536 WULHQQFIWMCYBR-INIZCTEOSA-N 507.074 7.834 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(Br)c1Br 2303548856 LQRUIMODJNVXOG-CQSZACIVSA-N 520.059 5.312 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521351 IBWUPZYMFYGGNC-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 2313738915 YHXGBUPUJAPDTI-UHFFFAOYSA-N 535.394 5.379 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592077 LLVNUGSRGABLJJ-RUZDIDTESA-N 550.511 7.490 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592670 ZWOIZOGCTCQANM-AREMUKBSSA-N 513.619 5.467 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314616479 BTQKWOQKSNDUAE-UHFFFAOYSA-N 500.639 6.269 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314618633 QSNWBXHWEBVSQF-QFIPXVFZSA-N 546.602 6.431 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@H](Br)[C@H](Br)c1ccccc1 2314720083 DJQQKYCOJMWPGV-DNQXCXABSA-N 541.239 6.564 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2338691067 NZMXGWGIFDLZCC-SECBINFHSA-N 580.738 6.149 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2sccc2I)c1Br 2339690613 JYTUZUWWCVWSGE-LLVKDONJSA-N 580.905 6.679 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)cc1I 2340065898 NEHXKKVGPMVGPU-CQSZACIVSA-N 518.947 5.886 50 10 KKGE Cc1scc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2343566711 NYRXUKYBYMVAOG-SNVBAGLBSA-N 528.318 8.026 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2c(Br)cccc2Br)c1 2366890512 RHLISTTUTQEMED-AWEZNQCLSA-N 501.871 7.587 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701029 FQYXKHLVMNFPEG-HHHXNRCGSA-N 508.574 6.584 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 39868036 UEASMPFYJWVIOX-UKEVSBBWSA-N 513.416 7.256 50 10 KKGE N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1)c1nc2ccccc2[nH]1 50552050 XZQFVQZJAWAYNH-YVLHZVERSA-N 603.201 6.415 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Br)cc1 58989617 IPZIHLAHTQCRLH-WPWMEQJKSA-N 520.456 5.057 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1 59679876 OSCZUIHAYRJHRV-UVHMKAGCSA-N 513.775 6.200 50 10 KKGE COc1cc(C)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C 72400017 WQTRVNBXCGDAKQ-UHFFFAOYSA-N 505.436 6.960 50 10 KKGE in-vitro CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC 72400258 RDDRRJZMDSQIKB-PXYGFXEISA-N 641.462 12.979 50 10 KKGE in-vitro CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100184804 AEUJMIQFXFFBCW-UHFFFAOYSA-N 601.361 5.012 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1 100236431 BSVGVFKVXGRJCZ-VGBOAXCZSA-N 551.481 6.119 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(I)c2)cc1 100237712 CWQRIDPLWDNLOE-OXOGFPMKSA-N 572.443 5.541 50 10 KKGE Cc1c(C(=O)Oc2c(Br)cc(Br)c3cccnc23)oc2c1/C(=N\NC(N)=O)CC(C)(C)C2 101110403 LEGIVHODQXBZIF-VYYCAZPPSA-N 564.234 5.225 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101307167 YTBAXKTZPPHCDJ-NDEPHWFRSA-N 532.980 5.424 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101335000 YTFLQKVWGCRNFN-WPWMEQJKSA-N 563.057 6.774 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101339486 MKUCYPYQKLWZQN-FJEPWZHXSA-N 542.683 6.441 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362391 BXWYEEZAIZPCJO-MNXDGCOYSA-N 569.444 7.409 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 101369025 LKPLHIIPNHWEOZ-SANMLTNESA-N 535.394 5.277 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 101372160 XFGMETSFWQINCH-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381853 VDFKATUPTQUGJF-WJOKGBTCSA-N 532.596 6.492 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101388287 IDPAFTCRJBJIEO-UUWRZZSWSA-N 603.074 7.908 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101390827 BKDYVHAOTBFCQU-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1Cl 101394942 WVSVQJBHBBISFY-RUZDIDTESA-N 555.483 7.332 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399145 DRIDHEXSTWGWCF-IOWSJCHKSA-N 597.023 5.891 50 10 KKGE COC(=O)c1c(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)sc2c1CCCC2 101632322 ICCDZXVHHXECPN-JKSUJKDBSA-N 501.240 5.252 50 10 KKGE O=C(NNC(=O)c1ccc(SC[C@@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(SCc2cccc(F)c2)c([N+](=O)[O-])c1 101665618 MNCPYAHHLAPCEJ-FQEVSTJZSA-N 586.623 5.280 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 102415712 AAWUNMGIOIQVKS-CYVLTUHYSA-N 592.073 6.714 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743076 HMQFYYBCGPIYLG-CHTIKVTKSA-N 546.490 5.543 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(F)cc1 103876834 AAEHEBQHLNJJRT-UVHMKAGCSA-N 544.320 5.528 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 103887470 FPRKENLOIZILBA-ODLFYWEKSA-N 573.228 6.487 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 105071404 VFVTYLGTRCDXMR-DNGXXSEMSA-N 522.774 8.986 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 150392092 QOTKRGZGCFSOJT-UCQKPKSFSA-N 684.315 7.736 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 150429504 JIACZTCHEARAMA-RDNGQCRJSA-N 687.372 7.149 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432940 JWZPKDRCVKEBCY-ZWXJPIIXSA-N 645.495 6.935 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1Cl 150460802 IIFNMJWYUKDDAA-YTTGMZPUSA-N 663.529 8.336 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O 159364435 OHPDUABGEYJECH-QNAIGGSCSA-N 687.191 15.866 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 206288998 YNACPPZKBKEKDE-QLJBRZBCSA-N 546.620 6.036 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OCC 207294921 QKCATRUGROLHQN-UZWFIJHESA-N 507.583 5.752 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214211144 SYSLEUKCADHSOV-VEILYXNESA-N 514.585 5.730 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 215683937 FAGFLKDXAVYVFV-IRGGMKSGSA-N 672.973 7.366 50 10 KKGE COc1ccc(OC)c([C@@H](Br)c2cc(I)ccc2Br)c1 234962154 IRKVYMXMHMKLNS-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 236061798 DPAKTNIFXRVIAT-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254593863 PEYUQKJMKCKASI-UHFFFAOYSA-N 771.041 7.644 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 256018175 AAZJERLIJMMWGH-XKAZDTCBSA-N 525.996 7.380 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)cc1Cl 380441077 DBKDKWJZWQDGHP-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 616590984 VVTDWWSTBCENLT-DEMJCWNPSA-N 752.933 8.437 50 10 KKGE CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc2c(Cl)c(OCCN=P(c3ccccc3)(c3ccccc3)c3ccccc3)oc(=O)c2c1 725239808 FEMUVOSIONMXNM-UHFFFAOYSA-N 715.183 8.680 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084022886 PXRYWPWHKAZRNP-KGENOOAVSA-N 526.851 6.482 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084089765 GIPRKJWTXVHTAE-DEOSSOPVSA-N 718.757 6.491 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084094609 VHVOOBSYJPCTDU-NDEPHWFRSA-N 538.475 6.667 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1 1084187635 MGNAMBPTAYXEHZ-UHFFFAOYSA-N 622.200 5.985 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 1084262473 CDKRUAPIAFDMRB-UHFFFAOYSA-N 535.409 5.022 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C)c(C)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084358869 NLVVPEBLCQVSLX-UHFFFAOYSA-N 552.018 5.938 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Br)cc1 1084387954 YVIJWNFILSOOFZ-CXUHLZMHSA-N 555.210 5.027 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084505949 QOYHONAOJZBIFU-UHFFFAOYSA-N 503.433 5.577 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1084525884 SNICLTXMMSPQQS-UHFFFAOYSA-N 514.365 5.334 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1084540847 HAFSMSJLPBYKQG-XMMPIXPASA-N 570.300 7.242 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084617475 IYDKQHUUBZXCOZ-QFIPXVFZSA-N 685.256 5.347 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3[N+](=O)[O-])cc2)cc1 1565517573 OPGRCOARPKXRFP-GEEQYVKOSA-N 587.673 6.465 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614969981 NRXQWNVMHCGUNH-JIDIRTRFSA-N 520.870 5.258 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3Cl)CCC4)ccc21 1772743596 CZXMTDFYCZEZKE-UHFFFAOYSA-N 539.035 7.092 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745363 XJUCCEYEHKZJTM-UHFFFAOYSA-N 523.549 5.450 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1 1772755079 LDFYZCIRDGWMJH-UHFFFAOYSA-N 582.545 6.793 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865688307 OYYAANAXFYLNED-NDEPHWFRSA-N 575.496 7.246 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689562 SOPAPXIJKPTGPA-DEOSSOPVSA-N 527.452 6.214 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865695145 LCLWFRHZFRMFBA-MHZLTWQESA-N 547.442 6.602 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(Br)c1OC(C)C 1865697851 CYJPTRYLHJROJE-MRXNPFEDSA-N 529.357 5.334 50 10 KKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700713 BQRNYRTXURVMRT-SANMLTNESA-N 517.416 6.344 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703726 DBGHICYBHPNPLX-HSZRJFAPSA-N 512.953 5.177 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705381 UICYUAMQZQTGNT-SFHVURJKSA-N 553.324 5.675 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707271 SFWXVQQJMBCBTP-LJQANCHMSA-N 505.789 5.717 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(Cl)c1O 1865707522 YPJKOCWWAULARN-INIZCTEOSA-N 511.287 5.189 50 10 KKGE CC/C(=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867116226 ZOVUUUMLRZEAMZ-XDKREJCVSA-N 564.505 6.190 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1C 1872744613 ACDWHDBYWWEJAY-HKWRFOASSA-N 517.401 5.865 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872747971 AYDREGZTPWCBGW-FOSWXRMZSA-N 511.990 6.164 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc3ccccc3c2)cs1 1872782947 YOBSSALTXWKJHW-CAOOACKPSA-N 512.226 7.258 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872784315 JYHIOIJNLOHJSQ-RCCKNPSSSA-N 505.640 5.919 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915295058 GFRMFMJZLVHIRC-QGZVFWFLSA-N 509.691 5.713 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066830 VOICBEYLNXCFML-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCc3ccccc32)c1Br 1924599684 KRVUIKYDRFCGEO-PWSUYJOCSA-N 543.944 7.592 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1950881169 AVOYPVGLDAWNCC-LURJTMIESA-N 544.353 7.543 50 10 KKGE IC[C@@H]1CCC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989165791 CHAGOXOYRACYRT-BJKOFHAPSA-N 514.403 6.890 50 10 KKGE C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](CP(c1ccccc1)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 2049389012 XHYZJEQNKWDJPN-YRUAXCGDSA-N 724.999 7.509 50 10 KKGE O=C(N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[S@@](=O)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2065309327 DZMPVYPUXVYHIY-CGVGRVIESA-N 609.731 7.465 50 10 KKGE Brc1ccc([C@H](Br)c2cc(I)ccc2Br)c(Br)c1 2083335770 VJKRIUYEFILXJB-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE Brc1ccc([C@@H](Br)CCc2cccc(Br)c2Br)cc1 2113490177 ZMKDBCUPRZBXLH-ZDUSSCGKSA-N 511.877 7.043 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468359 JIVLCYNOOJLEEP-KXEKKFMESA-N 538.343 7.843 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1Br 2166267667 QYPSSEJXVKBQMR-WCBMZHEXSA-N 551.964 7.211 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401805 ZLPCUVKQQWSLAT-LLVKDONJSA-N 659.605 8.123 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225632377 BNSMNXHAOLXVEX-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225635979 YNVYZWUYMVIWHK-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE Cc1c(Br)csc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263513394 NNBJFBAOZLVLOE-LLVKDONJSA-N 517.906 7.023 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1I 2269548344 RFVZVSMNEAWEDJ-AWEZNQCLSA-N 563.398 5.995 50 10 KKGE CCOc1ccc([C@@H](Br)c2c(F)cccc2I)c(Br)c1 2282892119 AGNWPUJODCVQMZ-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)cc2)cc1 2293191909 FJRAYXQPFHWNHJ-UHFFFAOYSA-N 608.097 5.763 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=CC=Cc1ccc([N+](=O)[O-])cc1 2293968620 IVNGSVGDHTVDCS-UHFFFAOYSA-N 562.012 5.077 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OCC)c2)c1 2294005051 TXCUQZQEKGOZOH-UHFFFAOYSA-N 521.411 6.371 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1ccccc1 2296706051 QVLFPCKWMMIUQD-XMMPIXPASA-N 542.614 7.042 50 10 KKGE COc1ccccc1C=CC=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 2296731281 LDARYSPNXFLXIO-UHFFFAOYSA-N 542.458 7.454 50 10 KKGE N#CC(=Cc1ccc(Br)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297213729 QLULFTIUOZZAOD-UHFFFAOYSA-N 504.159 6.099 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2297458660 QWDLRHHCGAMRSQ-DEOSSOPVSA-N 540.447 5.918 50 10 KKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2313362641 XTXZLPPNPXWHPP-CQZAFVHCSA-N 523.910 6.287 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1ccc(OCc2ccccc2)cc1Br 2314456658 YPURVGQQWFVEKZ-HXUWFJFHSA-N 527.627 7.155 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C[C@@H](C)O1 2314476760 VERWNHHSYSJYHR-DHIUTWEWSA-N 578.698 5.288 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314610117 CURRZSQFXXPMGR-QHCPKHFHSA-N 597.741 5.208 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314616495 BZTSTUVTYVMURC-UHFFFAOYSA-N 618.759 6.894 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618373 MHPFBXJGOGFTAM-UHFFFAOYSA-N 549.543 5.232 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1Br 2314634323 CPEAIVUUDVGCCJ-DEOSSOPVSA-N 507.771 5.939 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643480 ZXPYNOOCOSFECN-MGBGTMOVSA-N 613.497 7.808 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2314738073 HTUJJAMLDBXGKV-UHFFFAOYSA-N 546.063 7.999 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCCC)cc2OC)cc1OC 2314777272 WJRNJLIIJBUVLB-UHFFFAOYSA-N 520.626 5.715 50 10 KKGE CC12CC(C1)[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927226 FKUWVCQLZKQWIE-UOMSJMQSSA-N 523.910 6.287 50 10 KKGE COc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)sc1Cl 2317957570 NIIWXUCYHVDSKT-ZETCQYMHSA-N 515.901 7.087 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3Br)n2)c1 2331246543 YSYBBPGOEFVGRX-UHFFFAOYSA-N 503.374 5.557 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331325267 DKZUCZGSENNVRW-IQMFZBJNSA-N 503.580 5.331 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2331445873 VXVIUPQJNNDSRX-UHFFFAOYSA-N 503.668 6.527 50 10 KKGE Cc1cnc(Oc2c(I)cc(Cl)cc2I)cc1CCl 2339496438 SUECAWLSGWSADF-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Cc1cc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)ccc1I 2365229853 DVBXVVRDIDJBMY-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790677 HPOXYCAUIFFSFQ-SCIJIFGBSA-N 528.848 6.712 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N1CCOCC1 33342539 ATYKZBXFRZJFHI-MOHJPFBDSA-N 508.553 5.023 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccccc1 34722079 WXGVJDYFAPACQO-PDGQHHTCSA-N 505.393 6.741 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1 35446020 YNFLTWDPOGPOOL-COEJQBHMSA-N 517.610 6.457 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 38685488 MJSSFVBZDGJKQK-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 59680087 YQKZOXQOTKYIFG-KEIPNQJHSA-N 500.646 7.241 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)cc1 100238390 TVBAWSIKQZOTDK-LJIZRPCSSA-N 627.479 5.503 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 100919874 ILBQAPXSIQHPTJ-LGUFXXKBSA-N 559.647 7.872 50 10 KKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 101022525 KGCYGKCKOYYGCF-NCELDCMTSA-N 569.690 6.791 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244750 KLBZZWDSFFYIDM-FYAMCCBRSA-N 537.563 6.169 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc(C)c1Cl 101365295 DYERXCWGLINXNA-XMMPIXPASA-N 529.807 6.466 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 101371030 RWYNFJWCKBJMGY-MHZLTWQESA-N 527.407 6.949 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 101375252 LVGXMOMYDXJGGT-PMERELPUSA-N 526.633 6.790 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 101376057 YLLJNJUVZMTLPB-AREMUKBSSA-N 533.422 6.311 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381129 QDIUZURITARMAD-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384480 XYQFZPULALLHGD-DHYKOVJISA-N 578.640 7.119 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101398630 DFSKVHNMBAHEIY-XZWHSSHBSA-N 550.542 5.368 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1Cl 102932802 BKTZJNJTKREOBV-PXNMLYILSA-N 558.772 5.850 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 103649685 DQLJLLAZPYFBTD-MOSHPQCFSA-N 544.504 7.554 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F 103879632 SPFZOMATCHCEPK-ZSNJKBEMSA-N 568.048 7.597 50 10 KKGE N#C/C(=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104799995 KQXNPVCVQNEKQZ-VCHYOVAHSA-N 517.526 6.432 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2[C@@]2(CCc4cccc(C5=N[C@H](Cc6ccccc6)CO5)c42)CC3)c1 141155564 HIVLVUWPNHHMAS-QWQUTFOFSA-N 619.789 8.245 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430318 BPSQJEXHLXYRFN-SSEXGKCCSA-N 651.930 8.070 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Br)c1 150478842 HDLGRCVTDWICPN-VFLNYLIXSA-N 647.414 7.165 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1Cl 163302344 OEZOHQIYLZBQCR-JAVCYFNSSA-N 631.776 6.446 50 10 KKGE CCCOc1c(OC)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO[Si](C)(C)C(C)(C)C 195854320 BNBFMYPWFLLWPZ-RPWUZVMVSA-N 624.869 6.898 50 10 KKGE c1ccc(P(c2ccccc2)c2c3c(cc4ccccc24)OCCCOc2cc4ccccc4c(P(c4ccccc4)c4ccccc4)c2-3)cc1 196638115 SXMRHNDVGCTHHA-UHFFFAOYSA-N 694.751 9.338 50 10 KKGE CCCCCCC[Si]1(CCCCCCC)O[Si](CCCCCCC)(CCCCCCC)O[Si](CCCCCCC)(CCCCCCC)O1 205095187 WRBGQYYUWFGBIZ-UHFFFAOYSA-N 727.437 16.199 50 10 KKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206688745 PQGJPQITMIROLO-SEUFPGFTSA-N 500.551 5.309 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214377820 UJVBBGVVSTWUFM-YKQZZPSBSA-N 542.639 6.427 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214398563 ABTXKZVUOIMCRI-COEJQBHMSA-N 558.638 5.782 50 10 KKGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 254289806 KBPDMKSPYJTDJO-NRFANRHFSA-N 536.661 5.678 50 10 KKGE COc1cc(C=NNC(=O)c2cc(OCc3ccccc3F)c(OCc3ccccc3F)c(OCc3ccccc3F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 254481634 DEVLAXVGHZNSPP-UHFFFAOYSA-N 831.722 10.333 50 10 KKGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)c2)c(C)c1 254499541 BLLQUNZRWZFQGB-UHFFFAOYSA-N 528.678 5.893 50 10 KKGE CCCCCn1nc(C)c(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c1C 254532553 YJKHNAGWFKLTKT-UHFFFAOYSA-N 531.686 5.189 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cc1 254631106 HHUFPTSICPXTCX-UHFFFAOYSA-N 672.111 5.873 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 254753167 UKRGFXWXAPQJFV-UHFFFAOYSA-N 524.573 5.656 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Cl)ccc1Br 312908672 BBGLKHPWRUMIRD-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE BrCC(CBr)(Cc1ncccc1Br)c1cccc(Br)c1 394246532 QZLXBNMXGRSVCL-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CC(C)(C)C(=O)O[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590505 SAHJWPXTHJECLJ-PBIPPMFTSA-N 755.034 6.751 50 10 KKGE ClCc1cc(Br)c(OCc2cccc(Cl)c2Br)c(Br)c1 719381805 DFDORTXCNBGPLV-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(Br)sc3Br)c2O1 720127517 XUQDNZNORHYVCX-INWYIAFRSA-N 501.465 6.687 50 10 KKGE COc1ccc2c(c1)CC[C@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237687 LSVALSMVCJWVEA-YADARESESA-N 537.003 5.762 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CC1 725238906 SVMLUCRODLZURS-RUZDIDTESA-N 599.153 6.116 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 725410369 VRNYWKKCKVMEEB-XMMPIXPASA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 1083844318 CYUURTRJWCXYPF-XMMPIXPASA-N 716.208 6.758 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1 1083981418 AKLMHLKARLLDTJ-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1083987331 ZGXZAKJYAUMRMW-GUNJGAKRSA-N 514.629 5.269 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084011834 LGCFWYWLAWFXQH-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1 1084026629 MFOIGYPRKXAFGV-UHFFFAOYSA-N 517.050 6.984 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084063394 YXMXPMVWBZUUDH-UHFFFAOYSA-N 582.670 6.116 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1084368249 DMVVDKFADPIOQD-UHFFFAOYSA-N 521.592 5.598 50 10 KKGE COc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084429454 UGRIRNFYGDIOOU-UHFFFAOYSA-N 502.618 6.633 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084451584 QEACQAOZDJIYFP-WLRTZDKTSA-N 580.047 5.935 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(C)c1 1084523279 GOEBHGKUWRBCFY-LFVJCYFKSA-N 546.465 5.601 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084543476 VXBHJJZVOYEIQH-UHFFFAOYSA-N 537.682 5.068 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688736 ZLSFORIIXIWCSC-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690612 WYYRNEYNIYIRQT-DEOSSOPVSA-N 517.416 6.522 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865690873 DBKLFEVNHVQZBD-LJAQVGFWSA-N 508.622 6.520 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OCC 1865691128 JZZKCNVDQAXFRU-AREMUKBSSA-N 516.642 6.155 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1O 1865695607 FCEHJGSKSQDKLL-QHCPKHFHSA-N 543.421 5.602 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865696081 XGRYSXNTIRZCFM-LJQANCHMSA-N 504.896 5.229 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Br)c1OC(C)C 1865696991 MNQSIBMEIMELPU-QFIPXVFZSA-N 543.849 5.670 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865697420 RZCWZKJZDHVZTC-DEOSSOPVSA-N 557.448 5.986 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697498 UVKNXPBYMZZDBV-MUUNZHRXSA-N 536.632 5.817 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698493 VHKHUCLKGXKHGX-QHCPKHFHSA-N 555.448 5.799 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1C 1865703105 MZHWQUQMTLGSMI-LJAQVGFWSA-N 522.605 5.694 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c(OC)c1 1865707584 AEETUZGDSAZRSB-GOSISDBHSA-N 525.314 5.492 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)sc2c1 1866129066 ALICXUUWDBIMCS-GHRIWEEISA-N 547.500 5.415 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccc(Cl)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866758925 XXPZKMWZKRTILF-WUFINQPMSA-N 564.107 6.334 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1Cl 1872756411 ZIKPDWCQTOCWMP-YVLHZVERSA-N 502.206 7.391 50 10 KKGE Cc1nc([C@H](Br)c2sc(Cl)cc2I)c(Br)s1 1900917653 ACMOPHQMFCUMAS-LURJTMIESA-N 513.445 6.018 50 10 KKGE FC(F)(CC1CC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924571379 QTFNNHAGOSXJNJ-SSDOTTSWSA-N 517.853 6.907 50 10 KKGE IC[C@H]1CCC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989165793 CHAGOXOYRACYRT-RPWUZVMVSA-N 514.403 6.890 50 10 KKGE Cc1cc(/C=N/NC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)n1-c1ccccc1 2033817546 QTHDRQKHBAAUBK-YQCHCMBFSA-N 519.693 5.342 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 2069358338 VCCMUJGGUQZUOZ-CWLQEYCUSA-N 981.584 5.452 50 10 KKGE CC1(C)C[C@]1(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496446 WQTQYKATWGIQMX-WCQYABFASA-N 568.767 7.609 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3csc(I)c3)cc(Br)c2O1 2090467899 RUVSVLHTGDLILS-FUXBKTLASA-N 514.020 5.923 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2145955418 HDACWYMLYQGLME-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CN(Cc1cscc1Br)S(=O)(=O)c1cc(CBr)sc1Br 2179793455 UNXUJROPNHEMIF-UHFFFAOYSA-N 524.119 5.050 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1Br 2201068685 HOPVCUFJGBNSQU-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC23CCCCC3)c1Br 2206396202 UFPPUKABPUYGNU-UFBFGSQYSA-N 594.805 8.143 50 10 KKGE CCC1CCC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206398296 SXBWITBDQPDNOA-KJHLLKJSSA-N 596.821 8.389 50 10 KKGE Cl[C@H](CCC1CCCCC1)c1c(Br)c(Br)cc(Br)c1Br 2206405054 FHIYSHRBFUKEPX-GFCCVEGCSA-N 552.370 8.377 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1I 2217864717 OKQIXBAZTFZPLT-SECBINFHSA-N 540.873 7.215 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2218597264 LAHMTDZECRTTDJ-SNVBAGLBSA-N 542.287 7.265 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2241000543 JEVXAHSAWYKXDI-INIZCTEOSA-N 572.904 7.226 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sccc2I)c(C)c1F 2253514896 XJWRKOMQEJHHAH-LLVKDONJSA-N 504.000 6.355 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Cl)cc1I 2257364770 LLOSNAPZIOBKHF-JTQLQIEISA-N 522.427 6.262 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(I)cc1 2272731104 XVXSUZKWVVLVSM-LLVKDONJSA-N 566.803 6.579 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)c(F)cc2Cl)c1Br 2285944934 AQFVIBPHZMRUAU-CQSZACIVSA-N 505.834 7.403 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2293591336 ZZTQKIBSGDUITB-UHFFFAOYSA-N 525.034 5.919 50 10 KKGE Cc1cc(C=C(C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 2293701465 DMSACDAPMQEELN-UHFFFAOYSA-N 511.464 5.049 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(OCC)c3)c2C)sc2c1CCCC2 2294193511 WNILFHKLQLGYAJ-UHFFFAOYSA-N 517.651 6.156 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2s1 2296944627 BDPZJSVYBQVFCD-UHFFFAOYSA-N 551.697 6.388 50 10 KKGE N#CC(=CNc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297449087 CFVXXVJOOWBKJB-UHFFFAOYSA-N 519.207 6.962 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458529 BXLJUAWEPNDVRT-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE CCCCSC=C(NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497961 PEZGAMSJQVQNQZ-UHFFFAOYSA-O 510.663 7.051 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)NC1CCCCC1 2313540541 GXKWEEVYGAVAQI-UHFFFAOYSA-N 518.249 6.146 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NC[C@@H]1CCCO1 2314478463 MQJNUEYDZMZXGP-LJAQVGFWSA-N 539.035 5.974 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592246 OXIOKHXEBXMELR-RUZDIDTESA-N 562.489 6.221 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 2314610881 NRXDZDDFCTWBHR-UHFFFAOYSA-N 528.612 6.121 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C(C)=C(C#N)C2=O)cc1OC 2314616959 NYIGSGYYRBFMJA-UHFFFAOYSA-N 589.608 5.300 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314617199 SOYQAYBCRRHEHG-UHFFFAOYSA-N 573.045 5.780 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314619632 COQAIKYXXMBDHO-UHFFFAOYSA-N 520.539 5.918 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 2314634658 UIIKJODVICQXKA-XMMPIXPASA-N 532.210 7.137 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc2c1CC[C@@H](C(C)(C)C)C2 2329699403 PSSKBZJCSOFCKJ-MRXNPFEDSA-N 501.446 5.994 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239835 GMAAGCCMNYCNMO-CQSZACIVSA-N 515.860 7.365 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1OC 2331319653 UMUTWKYZLCKCPX-HXUWFJFHSA-N 503.624 5.328 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1C 2331364465 FROIEKLGWJRVGR-MRXNPFEDSA-N 517.876 7.720 50 10 KKGE Cc1cc2sc([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)cc2s1 2336053540 KGIVQIFPJGMDPQ-OAQYLSRUSA-N 508.300 8.097 50 10 KKGE Clc1ccc(I)cc1COC1(CI)CCCCCC1 2352246286 AVIPLMPCLYQTTM-UHFFFAOYSA-N 504.577 5.989 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2359125185 YCAUZMBBQUPEEO-WEKTVSAVSA-N 552.326 6.832 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCCC(C)C)c(OC)c1 38660407 VEJCZFUDGMLHQY-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38685316 BESWTBRPNUDQEZ-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 48573667 CUECSQJAVKSDSK-RWPZCVJISA-N 513.819 6.383 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232007 AJXAVKVEYVCSBY-DQSWQQFISA-N 580.306 6.698 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 100232246 WVZPLXKDXBTEJD-XZJBEKIMSA-N 592.861 5.886 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1 100237677 ATHXETSFIIIKKE-JFFJSXPNSA-N 606.432 5.381 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 100452091 QEWHZZRJTYURGA-OADPBGPJSA-N 536.253 6.299 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 100452572 FWOJYVXEQBGHID-PEHSQKLVSA-N 541.873 6.374 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101370788 QWIDDPDQUSJHRP-YTTGMZPUSA-N 546.623 6.440 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381034 XPAOPGSGMBHDNM-SSEXGKCCSA-N 540.978 6.424 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101382284 JAKGTIUZWCZUNM-SSEXGKCCSA-N 601.486 7.717 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384560 QLCXXHBETOVBKC-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101386713 KXMZIQGIENCKOI-LJAQVGFWSA-N 567.529 5.759 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101390337 NMDRVOURGJYMMF-OAQYLSRUSA-N 523.397 6.654 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2c1 101398590 AENMJGUYDPOEAG-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603535 GBRZOFLAWSSULQ-FDAWAROLSA-N 524.326 6.636 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 101751290 NDQIEIZNENZZCL-NTPQCHGPSA-N 581.419 5.300 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3\C[C@@H](c4ccccc4)Oc4ccccc43)cc2)cc1 102980890 IRTFTTNSYPAMPP-IBJFISIOSA-N 541.629 5.544 50 10 KKGE CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 103649510 LWJJFAAVZRKVPT-JCMHNJIXSA-N 576.084 8.691 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 103806408 BTUMCVFZWAZCTB-MUFRIFMGSA-N 554.613 5.767 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3nc4ccccc4s3)o2)sc2c1CCCC2 107857948 REJHQMMTTBDVHL-SQFISAMPSA-N 503.605 6.219 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)C1 110558747 AXZCVCWVIQATOB-ITZOTHCASA-N 571.747 5.562 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 150429572 MPDAHYUWHXEKTF-TXRIKVQFSA-N 684.547 6.344 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432867 CAVWMLHVPPXTTA-WHUARKNTSA-N 649.502 7.701 50 10 KKGE CN(C)[P@](=O)(Cl)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O1 162439954 RCQVHNTXMQCQLT-QYGQGDDVSA-N 698.160 6.612 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 163742831 VBWVGHZCAIUXBF-CJLVFECKSA-N 628.308 5.888 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])c(Br)c1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 195812269 HDMSDQGTDSKRGN-KEYHERLASA-N 654.509 7.615 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OC(C)C 205776508 BLOMOMISAILZGM-HBGDMYRRSA-N 632.742 5.552 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](CO)C[C@H]1O[C@@H]1CCCCO1)O[C@@H]1CCCCO1 205905438 YDBVEJCYLUWJQS-XUOIYMGASA-N 630.983 8.818 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 252632595 VUSPUARIBXXLTJ-UHFFFAOYSA-N 587.297 5.407 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(C(C)(C)C)cc1 254895524 QJGXKBGWTHZGSL-UHFFFAOYSA-N 538.721 6.633 50 10 KKGE Clc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)ccc1I 308412584 HOTSTQGEFVERGE-OAHLLOKOSA-N 528.409 6.126 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4cnc(NC(=O)C(C)C)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586139 NSNBXSIELVIXGV-WTVXRWDQSA-N 954.195 10.396 50 10 KKGE ClCc1nc2cc(Br)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705869434 MGYRYAWSYUQKSC-UHFFFAOYSA-N 510.863 6.009 50 10 KKGE CC(C)Cc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721570692 ATIBGPZLPHHHDT-KRWDZBQOSA-N 508.035 6.737 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084003258 XFMHLXPXZXGETL-HYARGMPZSA-N 532.394 6.519 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccc(C)cc1 1084010495 FSWFFAGMJPFRNJ-UHFFFAOYSA-N 592.515 6.352 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1 1084148465 PTTKFUSNHMORGA-SANMLTNESA-N 564.423 5.987 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 1084218717 YOQKZYJATZXREV-RUZDIDTESA-N 624.359 7.096 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2c(c1)OCO2 1084258172 XZNDECOEYDJAQV-UHFFFAOYSA-N 537.366 5.666 50 10 KKGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccccc1Cl 1084266737 OCXQWZZLGQBQIP-UHFFFAOYSA-N 526.783 5.358 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084533134 GXCDVSMISOFROO-UHFFFAOYSA-N 628.308 6.982 50 10 KKGE CCCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614616551 LFYZQVNKMSDPFP-ISKFKSNPSA-N 521.439 6.433 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746785 HDSBSFBPEJIQOE-UHFFFAOYSA-N 533.411 7.251 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687946 DSBBKCBJPSBSGY-PMERELPUSA-N 552.650 6.527 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865690393 QDUQOZHOXIBWLP-OAQYLSRUSA-N 516.951 6.391 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692019 HLGZWNKPWINPGQ-OAQYLSRUSA-N 515.397 5.045 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703015 KUXIUUDFTMUDMX-SANMLTNESA-N 531.443 6.929 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703613 CQKPUOGAFKDNQK-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706571 ZQNLNVYJKJDWIK-SANMLTNESA-N 506.606 6.074 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712330 VVHSHPPWJCQQEB-HSZRJFAPSA-N 527.924 5.090 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715016 SZCDRTJKXDZASY-RUZDIDTESA-N 523.549 5.056 50 10 KKGE Cc1nc(-c2cnccn2)sc1C(=O)N/N=C\c1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 1865761128 CMGNIXIQJGVREU-IJFXDBOGSA-N 507.929 5.116 50 10 KKGE CC/C(=C\C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866685163 ZZWDATWMWUXMEY-CIEQNIFPSA-N 503.599 5.567 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867065624 WASPNYWMYJRPCS-MHZLTWQESA-N 524.646 5.546 50 10 KKGE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867195457 XEJPTTMXQSRQDI-NDEPHWFRSA-N 510.623 5.384 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872744941 PTUPYYZGCQCKLN-QOCHGBHMSA-N 502.552 5.540 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(I)c(Cl)c2)c1Br 1922944952 BFMCIRHQEFRLJY-SNVBAGLBSA-N 540.873 7.168 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 1922954559 PKFHAAYXUCXKBL-LLVKDONJSA-N 538.324 7.482 50 10 KKGE CC(C)(CCCC[C@H]1CCSS1)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951899897 IKROPABYPQXLDV-DFBJGRDBSA-N 513.725 7.109 50 10 KKGE FC(F)(F)CCC[C@H](Br)c1c(Br)sc(Br)c1Br 2022698569 MGBUXDZRLVFWAP-BYPYZUCNSA-N 523.832 7.204 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)sc2Br)c(I)c1 2026221425 LOFAIHBBCDNSRW-JTQLQIEISA-N 615.748 7.125 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)sc1Cl 2026221775 PDLCXOFMSROYRQ-LLVKDONJSA-N 506.428 6.561 50 10 KKGE C[C@@H]1CC[C@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141469360 UVFNFQNBDXNZIF-BRDIYROLSA-N 540.315 6.974 50 10 KKGE C[C@]1(C(F)F)C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470341 ZXTFYGAYMZKTJI-GBIJTBFXSA-N 546.269 7.308 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Cl)c2cc(Br)c(Br)s2)c1 2172411178 BLLJHQJAJDUURW-JTQLQIEISA-N 513.398 7.383 50 10 KKGE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(CBr)sc2Br)C[C@@H](C)N1Cc1ccccc1 2179785102 HURNZOBMNHALIG-ILXRZTDVSA-N 536.355 5.078 50 10 KKGE CSc1ccccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397948 OQPYEOAVCJQHLL-GFCCVEGCSA-N 608.813 7.943 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2256337667 VVFLPCRJHKLOCU-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c1Br 2270434388 LWACCPSQMAIJJT-JTQLQIEISA-N 556.314 7.621 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272722124 PWGTUKVXQTXHCS-JTQLQIEISA-N 539.859 7.107 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1scc(Br)c1Br 2272837417 KODXXHROUZHKOU-SECBINFHSA-N 560.277 7.405 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277953639 ADLOVOSNEJAZRX-NSHDSACASA-N 518.389 6.478 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1OC 2283449450 RZFJQVMDXQGKCO-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2283581340 HFPMCDZEWVXMGY-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl 2295669964 RFUXNRXFRZVBPG-UHFFFAOYSA-N 547.435 7.229 50 10 KKGE O=C(NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647281 GSFBVMZLRDVWDK-UHFFFAOYSA-N 548.382 5.903 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296789920 BOEVNNMVPUBBAR-IBGZPJMESA-N 521.708 7.184 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2297378808 XCIGCKRWMVLOQA-UHFFFAOYSA-N 505.328 5.885 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2C(=O)O)o1)c1nc2cc(Br)cnc2[nH]1 2297504844 XQYBPJFASMXQTI-UHFFFAOYSA-N 514.133 5.505 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 2313568776 WZMGTRFPWVGEHB-UHFFFAOYSA-N 506.216 7.733 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cscc1OCc1ccccc1 2313741695 VTLFWNDTWNYMDF-INIZCTEOSA-N 525.064 8.020 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593812 UAXFMBWWFJSJFB-AFMDSPMNSA-N 516.066 6.206 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594006 XLFGTVSIYAAAJE-UZTOHYMASA-N 564.538 7.420 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314617013 OZUCWMXIHSHYED-UHFFFAOYSA-N 563.057 6.426 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 2314617246 ULUPFDNCWMNFAA-UHFFFAOYSA-N 576.628 6.268 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 2314617754 ACVRDJHUBZMFLC-UHFFFAOYSA-N 515.573 5.044 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051591 OQEHHPZNROEOMA-GDLZYMKVSA-N 528.568 6.786 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1O[C@H]2CC[C@H]1C2 2352547506 DLZIAFUFWWPCRR-BSYODDBESA-N 538.299 6.584 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(Cl)c2Br)c1Br 2362232350 NEDQZBPXCBFIQE-LLVKDONJSA-N 570.703 7.904 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(F)cc1I 2365188713 NPHOBIMQBYKCFJ-ZDUSSCGKSA-N 536.379 6.731 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)c(C)c1Cl 2365595572 LMXWQMAENLCTRS-OAHLLOKOSA-N 504.420 7.306 50 10 KKGE COc1ccc(CCNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c2C)cc1OC 3330430 AZSOFFVYGBREOV-MOSHPQCFSA-N 531.962 6.049 50 10 KKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 9981370 BJBBEEBSDCGDIF-NRFANRHFSA-N 504.508 7.034 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 14650710 QTFFEOGIYBCDJC-UHFFFAOYSA-N 524.843 5.016 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1 38658518 XDOGADOFMOWQKC-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38660203 WSUZHXDEOXFWHQ-LJAQVGFWSA-N 514.578 5.249 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 38686326 BNRZNIYWHNBGNL-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c(OC)c1 38688454 ICQRYTMMILQIBA-MHZLTWQESA-N 510.546 5.813 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822823 XCBIRGGZTJNWDP-ROMHNNFLSA-N 514.585 6.526 50 10 KKGE N#C/C(=C/Nc1ccc2ccccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100057187 IHHPCCNMDZIJIE-AQTBWJFISA-N 500.377 6.809 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 100234651 JMPISPHUEHZBNT-YFKXRKALSA-N 556.413 5.299 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 101339482 UWPJNXYLCNLKHL-RDRPBHBLSA-N 574.656 6.958 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C2=O)cc1 101340254 ORPYUCJINXCLFB-QCFMCPCVSA-N 620.709 6.962 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367531 UAZINILNMIPRIR-KATKFWMUSA-N 576.649 6.428 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 101369436 JYBQOIUGUIAQKE-PMERELPUSA-N 538.987 6.643 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101375342 QHORFIXLKXQTFH-OYLFJNDKSA-N 607.534 8.188 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383695 YNTAXNHUHXXQCH-CBCUSGRTSA-N 552.989 6.895 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101386644 PRGIPHMHSYPLJN-PJMDTWBYSA-N 562.597 6.559 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101387255 ZZBCXVCGCPBWQB-DHUJRADRSA-N 586.619 6.933 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c1 101387908 OJILRHHSFPEKKF-MGBGTMOVSA-N 576.649 6.809 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388764 YLDKKTBUQMHBBL-YTTGMZPUSA-N 567.041 6.684 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCC(C)C)c(OC)c3)c(C)c2c1 101395562 VVEOTOAQGKGVHF-SSEXGKCCSA-N 552.627 6.784 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)oc2c1 101397551 PNEBKUSVBJDGED-HKBQPEDESA-N 577.036 7.719 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101399815 MFTDZDULMHKHKZ-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1OC 101713320 CTPIVLPJEPGTQU-BHGWPJFGSA-N 528.241 5.055 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(Br)c1 101767629 IQOOVLBVWYQWHB-WKULSOCRSA-N 590.312 6.281 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 102923934 HDPTUMDPTWBJPX-RGVLZGJSSA-N 531.977 6.706 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(F)cc1 102933026 KORCZBHKNCBTHU-YVLHZVERSA-N 596.318 6.582 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(Br)cc2)cc1 103741610 GVPLNWKMTNRREO-GUNDDFSMSA-N 532.463 6.131 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)cc1 103797477 ZXWKBSFCBJMJPP-RWPZCVJISA-N 600.254 6.289 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)O 103877724 VPZQTPNCFDUHTP-KBVAKVRCSA-N 623.447 5.683 50 10 KKGE CCOc1ccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422939 SIZDKZCBZAMBRX-VYIQYICTSA-N 522.026 5.864 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)cc(OC)c1OC 109870259 DQRLWACQUHTACI-GFCCVEGCSA-N 501.034 5.783 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150463267 ZHNAQXKRYAPKCL-YTTGMZPUSA-N 714.429 9.504 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O[Si](C)(C)C 195753513 LYEQLVCCHOHXEJ-KMSICHQZSA-N 564.956 7.464 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(Br)nc4c(OCc5ccccc5)nc(N)nc43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 195908427 JDXBCEWMDJONPM-TZRRMPRUSA-N 678.777 6.994 50 10 KKGE C=C1C[C@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4/C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4=C)CCC[C@@]32C)OC1=O 201243054 WFGUBGPSKYJKSW-ADNLWORFSA-N 655.125 11.084 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 214406879 KIKMBTRYPOOTBT-YKQZZPSBSA-N 560.629 6.568 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)c(I)c1 236174768 OTLGCYSSTXWTCX-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 252636361 XIEVIBMQECCSRB-UHFFFAOYSA-N 511.332 5.284 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccc(Oc2ccccc2)c1 254507468 SMWBBMUYAAFKAN-UHFFFAOYSA-N 566.708 6.361 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccc(Br)s1 311209680 ONODWBFYMFMAKY-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)c(Cl)c2)C1 382688990 OUKFFXAAAGBAIU-RYUDHWBXSA-N 500.602 5.488 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(OC)c1Br 705464992 ORHSRKCFGDCWRP-SECBINFHSA-N 549.904 6.537 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1 725415910 BTUKLAOULHMNFG-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE COc1cccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 725439056 MXVKUDBXHHRMTC-UHFFFAOYSA-N 506.005 7.237 50 10 KKGE CC(=O)[C@H](C(=NNC(N)=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1081818064 OWHOMSYXRWWYIM-HWXYAHEOSA-N 563.780 5.496 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1083910204 CYHOUMUXSNVKLU-NLRVBDNBSA-N 576.524 6.955 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 1083937398 NTAKJBNNLDIXQU-UHFFFAOYSA-N 519.355 5.593 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc(Br)c1O 1084000441 ACOJVBXEZXYZOW-UHFFFAOYSA-N 572.459 6.088 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1)S(=O)(=O)c1ccccc1 1084040248 FQKPMQWREUUUIY-UHFFFAOYSA-N 562.047 5.506 50 10 KKGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)c1 1084045683 YPIXMHREXOAQJY-UHFFFAOYSA-N 629.522 5.383 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1 1084136568 KLYGVKAINKPAAJ-HKBQPEDESA-N 522.674 5.941 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(F)cc1 1084212832 VNPKXIXHJKVEOE-UHFFFAOYSA-N 501.514 5.413 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745712 FMSIGVLUCUPXNN-UHFFFAOYSA-N 597.263 6.351 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccc(Cl)cc1 1772752889 SHGQQHSUHSVAST-UHFFFAOYSA-N 582.676 5.982 50 10 KKGE CCCCCCOC(=O)N=C(N)c1ccc(N(CCl)Cc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 1848437491 BUFUGJPGWLVHJY-UHFFFAOYSA-N 676.218 6.193 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865688859 CSNKKNWCHHOHHA-MHZLTWQESA-N 522.605 5.872 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865694717 ZWAHHKDFWFRDOD-SANMLTNESA-N 527.024 6.267 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865695886 ITXJDKLCBBSXTO-VWLOTQADSA-N 502.615 5.764 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865701711 CJXWDYYKMSVAJS-MHZLTWQESA-N 521.621 5.621 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865701744 DHPMGNHWLPELHS-RUZDIDTESA-N 540.465 6.366 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865703353 UNXJRGDOXGPMFH-MHZLTWQESA-N 561.469 6.937 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707069 MXEURVCWNJSDTO-NDEPHWFRSA-N 524.068 6.392 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712198 RYHIPQJOOGKILU-PMERELPUSA-N 524.624 6.704 50 10 KKGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866839766 FOZSOXRVHPVNHO-KBMIEXCESA-N 507.656 5.634 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(=O)c4cc(C(C)(C)C)ccc43)n2)cc1 1868544972 QHSRNDWSZJTVTL-UHFFFAOYSA-N 561.755 8.780 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 1872744473 UJEGXOOJVFEXBZ-RITGCEONSA-N 507.571 5.519 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 1872790333 AYOXDLYGPBFIIT-SRZZPIQSSA-N 507.442 8.077 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922883416 OSEJVDXTLYEPIP-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924604539 DFTUIKRZJZPVQS-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE COCC1(C[C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924604721 HCMAYLLAQHPARD-LURJTMIESA-N 511.899 6.288 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(I)cc2)c(Br)c1 2024293420 GZJVSIGFKWLSGD-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE COc1sc([C@H](Cl)c2cc(I)ccc2Br)cc1Br 2034628168 CIGGUVOIXYESDD-LLVKDONJSA-N 522.427 6.215 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1I 2086040013 SJTJREJTFOQGRS-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE CC(F)(F)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468750 NGZLUFXKJUQSGZ-JTQLQIEISA-N 590.720 7.608 50 10 KKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)ccc1I 2142141556 WGJBDVBXEKNFSC-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1I 2146623631 WZGVMKYSFUNLJP-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(F)c2I)c1Br 2201073694 NVSVLWMWEGUQML-CQSZACIVSA-N 532.416 6.900 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCc2sc(Br)cc2C1 2206355433 YTSRQKUSWAOIQR-UHFFFAOYSA-N 500.481 6.384 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1csc2c(Br)cccc12 2207273738 WZWKETIGTVSZNE-AWEZNQCLSA-N 542.461 7.359 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232835497 UBZFRSBENYTRRV-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Clc1c(Br)csc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2246464925 IBFOTBKYZKCGRD-YFKPBYRVSA-N 520.320 7.732 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(C)c2)cc1I 2269555392 WGPZJFAMPZTQCO-OAHLLOKOSA-N 542.980 5.697 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCC[C@@H]1CC2 2273356929 CUTWTHAHPCAKIS-FNSHAYQCSA-N 536.327 7.597 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790024 JYPHNDARIAPZRE-FQEVSTJZSA-N 505.709 7.484 50 10 KKGE Cn1c(C(C#N)=Cc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccn3c2=O)nc2ccccc21 2296846683 STVNJPKEQWYGFL-UHFFFAOYSA-N 522.612 5.852 50 10 KKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(I)c(C)c2)c1C 2297506211 DZAKLHHNNVKEQJ-UHFFFAOYSA-N 509.391 6.115 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1sc(Cl)cc1I 2301079470 UNXHAWQABPCYEP-SNVBAGLBSA-N 512.940 6.078 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl 2313521340 HQAMLHCVJCAKSC-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 2313567464 HYMBSHCJILVECC-UHFFFAOYSA-N 544.392 6.878 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567752 OBZQYKMMSDBNSR-UHFFFAOYSA-N 583.857 5.779 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567772 OKALZLUAFGFNHF-UHFFFAOYSA-N 720.305 5.639 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1 2313571434 WJCWEJFCJIUTHP-UHFFFAOYSA-N 625.144 8.042 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)cc1 2314476646 SIGPAFGLOJCXDY-UHFFFAOYSA-N 512.997 6.536 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 2314591811 FLQIXTMBCZAHIU-AREMUKBSSA-N 513.619 5.331 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591925 HVZITCSIQTZPJC-HSZRJFAPSA-N 538.456 6.375 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591953 ILZDMLHLQBHVET-SANMLTNESA-N 513.619 5.467 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593381 MDGHTAOWJJHQAL-SIBVEZHUSA-N 565.617 6.408 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314610486 IUPIVPVTWJSJEV-JOCHJYFZSA-N 560.629 6.648 50 10 KKGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314619054 ZECASTWVQMZKRH-JOCHJYFZSA-N 506.986 5.089 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314634374 JRLSUMSCXCNFLF-VWLOTQADSA-N 503.352 5.295 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5)ccc43)cc2)cc1 2314640704 PBJHQJXJFNPHQX-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C[C@](C)(CBr)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2327103168 MLUGIGZYPZYDKH-DEOSSOPVSA-N 520.553 5.224 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)cc3OC)n2)cc1OCCC 2331293357 AGAYFPXAROSNJE-UHFFFAOYSA-N 506.624 6.911 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1F 2336122542 YKCMMWRQQFLNFS-MRVPVSSYSA-N 543.822 6.937 50 10 KKGE BrCC1(COc2cc(Br)cc(I)c2)CCCCCC1 2338891432 OUXBHJMYLSJEAE-UHFFFAOYSA-N 502.028 6.168 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)Cc1ccc(Br)cc1 2360494826 XDBYIEFOZJFRIE-VIFPVBQESA-N 505.834 7.336 50 10 KKGE Fc1ccc(Cl)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362256273 VDYKMXAAAAPXPY-LLVKDONJSA-N 509.797 7.281 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2363276236 YGJGUZZBICZXQN-ZDUSSCGKSA-N 545.960 7.667 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)c(Br)nn1C 2365227367 FGRHVURJZYQHOD-QMMMGPOBSA-N 598.728 6.402 50 10 KKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2281427 AHEKMMGWOIYZKG-JCMHNJIXSA-N 509.034 6.936 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 4468129 VZJQGSZSRIFDGT-SGDBQANJSA-N 555.082 5.128 50 10 KKGE N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 33927764 ODZUDZKNXGLRCG-HKWRFOASSA-N 517.810 7.380 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38684311 CESOVVOTPXTHDA-MUUNZHRXSA-N 516.569 6.231 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812857 KNLXSEXXUNYAFN-WVZIWNLSSA-N 506.400 5.412 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1cccc2ccccc12 59447385 BMTSOVRJIOYGBZ-MUFRIFMGSA-N 519.395 6.050 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1 100227428 OESMZONZKPZDTN-LLLIGWKVSA-N 551.481 6.119 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 100327214 DZVYKXGEKIYRPU-WHXCVRPHSA-N 576.285 5.763 50 10 KKGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC 101034390 CBEOZUIIGQHKIP-CAOOACKPSA-N 567.417 5.694 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101231075 WHBZDVHRLUAGSE-VUTHCHCSSA-N 526.596 5.897 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C2=O)cc1OC 101339273 GXMSLISPEBNZRG-QXGKLVPHSA-N 614.702 6.023 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101340479 DMXJMYGRUXYEFO-OCSSWDANSA-N 574.656 6.814 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 101368401 PIXIGLSFOFYXSU-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(C)cc1 101385334 PONOFTBJEHTGOV-MGBGTMOVSA-N 576.649 6.402 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1Cl 101391127 LAGGUAFWZNWYAY-XMMPIXPASA-N 543.834 7.263 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)oc2ccc(Cl)cc12 101391488 GZDHNUZSOFNTOG-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101394807 FBECMXSJABOUES-NDEPHWFRSA-N 597.495 7.407 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OCC 101395253 OWGVOPQDSMKWDC-MUUNZHRXSA-N 597.495 7.407 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 101395367 VCKQJBXEAFYXJV-GDLZYMKVSA-N 538.600 6.756 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)oc2c1C 101396452 KOJNDPLAPKATSY-GDLZYMKVSA-N 536.628 7.220 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 101405884 RRYXAOZFFJIKQB-LLWLYNIOSA-N 618.715 5.163 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)o2)cc1 102948442 LUPCPGGLJOSEGH-KQWNVCNZSA-N 560.075 7.458 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)NNC(=O)c1ccc(Br)cc1 103617795 QARHDVDDJSHQIG-UHFFFAOYSA-N 519.424 5.126 50 10 KKGE COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)o2)cc1C 103686614 WEQXKISQICEYOK-VTNSRFBWSA-N 595.121 6.045 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 103723328 CBACIUMFKFROMD-KKYHWDRJSA-N 511.666 6.887 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2 103883496 FCHCEZPYWZGJPE-LPYMAVHISA-N 576.447 5.021 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1 150382924 GAQOEGALMPUHJR-OADPBGPJSA-N 658.249 5.578 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150460331 VLYLWOJPTIWDSV-MFQXUVGVSA-N 633.915 8.071 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC 150497538 AAIILRBYUGKCCB-STKMKYKTSA-N 685.180 7.624 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1 164608989 JIHYRTVKUBSKHY-VFLNYLIXSA-N 653.698 7.195 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 164624135 ZBBFZSKRROVTAC-IZYHBKOJSA-N 687.388 8.049 50 10 KKGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](C[C@H](Cc1ccccc1)C(=O)O)O[Si](C)(C)C(C)(C)C 205037714 UEVGWVOLUCPPDE-NXCFDTQHSA-N 527.778 6.846 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccccc5)ccc43)cc2)cc1 205662038 RPIIEAVTYIJTPF-UEKWBJSISA-N 514.581 6.411 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206685248 DHBVLEKAAFQXHP-ZAEZHRDHSA-N 572.658 6.488 50 10 KKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 229785809 FZPJJSASSSNFHI-LYQKSFCXSA-N 541.287 6.081 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@@H](C)CCCC(C)C)[C@@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 229790335 JLDCYPYVMUNTNF-AOWJIBNOSA-N 722.687 11.403 50 10 KKGE biogenic Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2cccc(Br)c2)n1-c1ccccc1 252609521 HTVUQWBOWCDXAV-SFHVURJKSA-N 583.943 6.235 50 10 KKGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 252632631 VVQJJRMTCHDSIL-UHFFFAOYSA-N 587.632 7.096 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254295425 OPIBFXNGGGGVBE-UHFFFAOYSA-N 528.638 5.691 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OCCCC)cc2)cc1 254818068 BUUROHCRJOORBH-UHFFFAOYSA-N 522.690 5.985 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2)cc1 254851518 ONBKHRYMWUTIRT-UHFFFAOYSA-N 578.625 5.426 50 10 KKGE CCCCCCC(C)(C)c1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@H]1CC(CO)=CC[C@H]1C(C)(C)O2 256336841 YTJAMVHPSLRTJH-LOSJGSFVSA-N 500.840 8.902 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2I)C1 382728586 SJMVKBRRVOAONC-RHSMWYFYSA-N 581.619 5.732 50 10 KKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1ccccc1Br 719438419 IZMKWLGVCVDHJR-INIZCTEOSA-N 519.115 6.720 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 725237392 FUVKOFYYHKWFJK-SDUWLZGRSA-N 550.973 8.285 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 725422747 ALPSREMJHWZIFW-RUZDIDTESA-N 525.443 5.699 50 10 KKGE CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(SOOO)cc21 1082208729 ODBDVLYXZKLHKG-UHFFFAOYSA-O 918.079 7.997 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083817484 GEYKFJRDKMXPMQ-ZSDKEGLESA-N 702.964 7.691 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1Cl 1083915607 HTOCODWURZJXER-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])cc2)c2ccc(C)cc2)cc1Br 1083959437 LWUSYHLBXILICO-UHFFFAOYSA-N 637.512 5.834 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccccc1OCc1ccccc1 1084042159 KZUWWUFQJWQJMA-UHFFFAOYSA-N 504.178 5.260 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C 1084079200 AEQXDOBIORQCDF-GOSISDBHSA-N 518.908 6.758 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084085819 WEGNNKWGVFHABH-UHFFFAOYSA-N 641.143 8.006 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084102166 CINBDDRASQMKML-UHFFFAOYSA-N 687.956 5.944 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084243290 OXPWSSCSBBDETO-UHFFFAOYSA-N 512.683 5.141 50 10 KKGE CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1084566549 GBJQZFLHYJCXBS-UHFFFAOYSA-N 560.448 5.921 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1 1084625319 HRVBNIXNNMOLFO-UHFFFAOYSA-N 590.243 6.839 50 10 KKGE Cc1cc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)ccc1Br 1084636457 KBHCHYUOIZRPOC-UHFFFAOYSA-N 529.232 6.438 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743557 FTPMMRJMBGGOQB-UHFFFAOYSA-N 501.768 5.122 50 10 KKGE CN(Cc1ccccc1)C[C@H](O)c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 1848441358 INDZXAHOPYWHJX-DEOSSOPVSA-N 501.860 7.620 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680289 GHKKMTRJTGHSKK-JOCHJYFZSA-N 521.360 5.484 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1c(F)cccc1Cl 1865682250 JXNDXEGFCPVZME-FQEVSTJZSA-N 521.777 6.312 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686578 XGNLMCPTGSOCQY-QHCPKHFHSA-N 517.416 6.440 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865692477 BUEDGKXLMQNPSA-HKBQPEDESA-N 554.650 6.794 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865693027 QTPYYOVNWBMLSB-XMMPIXPASA-N 569.475 6.191 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865694037 OCHAQWILMQDHMI-VWLOTQADSA-N 557.448 6.317 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865694546 YZKXTHWVXCPQLU-SANMLTNESA-N 540.595 5.762 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865700735 CDGCLJWCGYWMIQ-QGZVFWFLSA-N 546.219 5.027 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700898 HGDRHRLEUZSTLY-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866783495 QUTYTMFRBOFARN-IHLOFXLRSA-N 569.727 6.978 50 10 KKGE CC(C)(NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866862145 ASILXZJWPDZNFU-UHFFFAOYSA-N 514.438 5.388 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2Cc3cc(OC)c(OC)cc3C(C)(C)C2)n1 1868253436 HNNCNEWCRFATON-UHFFFAOYSA-N 505.644 5.297 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(Cl)c4)CC3)nc(-c3cccnc3)n2)cc1 1868565732 NCQGBTFJJDQTBQ-UHFFFAOYSA-N 542.112 6.264 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCC(=O)Nc1ccc(C)cc1C 1872729049 LAQUECIXWFWGHK-RGVLZGJSSA-N 515.522 5.073 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)c1 1872744533 WZODJEFROUBXJP-JZJYNLBNSA-N 505.821 6.886 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1OC 1872746848 BLTHXOXSWBCFGS-JAHJUUQCSA-N 514.357 6.004 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754388 QLKPKMHDRYNSJL-OILZTRLPSA-N 508.043 6.552 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 1872754969 RTOAAUYURZWNOE-QYQHSDTDSA-N 508.640 7.135 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872781060 SXAVRALMVMTOJB-DEDYPNTBSA-N 507.840 7.869 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCCc1ccccc1 1872793423 ZIRXANCOXNNJFC-PCLIKHOPSA-N 524.686 7.945 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cnn(C)c2I)c1Br 1922892613 AZXYHECGPRJUQB-SSDOTTSWSA-N 554.871 5.404 50 10 KKGE FC(F)C1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1926951287 ZLPNZWZVYROJMC-JMMWHDCWSA-N 531.880 7.153 50 10 KKGE Brc1cc([C@H](Br)c2ccc(CC3CC3)s2)ccc1I 2087645680 KVXSPTFBLBDTLP-HNNXBMFYSA-N 512.048 6.552 50 10 KKGE CO[C@H]1C[C@@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471917 XSVJCTQSAYYVFX-MATHAZKKSA-N 540.315 6.832 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cccc(Br)c1Br 2148748819 FQXRYEGDNLXQBF-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE CC1(C)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC(C)(C)C1 2193417932 BYCIPXDBRRRURC-SNVBAGLBSA-N 507.557 8.215 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(I)ccc1Br 2203814244 GLHAEOFNOPAGTB-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE Fc1ccc(Br)c(CO[C@H](CI)c2cccc(Br)c2)c1 2206280300 WSGDIIQCUCCVFP-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE CC1(C)C[C@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206396220 UMNGBDJRUVTTAX-OIBJUYFYSA-N 554.342 7.222 50 10 KKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400136 PTGLOFVOBRJJBB-JTQLQIEISA-N 610.726 8.151 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2Br)s1 2221820477 OZEVPFBGHUDRSZ-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)s1 2233025125 YQGQMILHTKHHPO-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CCCBr)C1 2234182419 SCMHZDORDUUUAJ-LLVKDONJSA-N 515.027 5.081 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283576060 BMBYMIFSJKPPJU-ZDUSSCGKSA-N 550.843 6.853 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(I)c(Br)c1 2288355964 GYBQCPIWOZHXPF-LLVKDONJSA-N 645.699 7.341 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)cc1Br 2288359778 ZXAYIGUGMAEPNC-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2293198400 HAJFEVCWCQYDMK-JOCHJYFZSA-N 504.409 5.514 50 10 KKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 2293202173 ONEQXXDSNCFRFJ-UHFFFAOYSA-N 522.114 7.981 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 2294953938 GJRWLCWLZKKYKY-UHFFFAOYSA-N 553.062 5.906 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507025 PTMHMYOTGZZNGE-NRFANRHFSA-N 563.293 7.365 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642542 NMSPCYRUGUNCPZ-WHKAOFGASA-N 720.661 5.130 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 2313518487 FVJRDVYFMRKJFK-UHFFFAOYSA-N 556.254 6.653 50 10 KKGE N#CC(=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 2313556963 PMDGDVKTNHODQM-UHFFFAOYSA-N 516.557 6.074 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(I)sn1 2313750922 KJUGWZBNMKBPQV-VIFPVBQESA-N 501.373 6.284 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314454986 KTBTWXLMDIYKOP-GOSISDBHSA-N 529.070 6.491 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)Nc1nccs1 2314519712 ZPRZLRIJACYIHY-UHFFFAOYSA-N 519.564 5.265 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592419 SYCLUDVRRBLGON-AREMUKBSSA-N 550.511 7.490 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592848 CUPGNUVQEYCNHO-AFMDSPMNSA-N 516.066 6.206 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314610142 DAEBXXKVBLAROS-UHFFFAOYSA-N 543.067 6.764 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314616650 GJSZXMKHBSWZSG-UHFFFAOYSA-N 621.517 6.823 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314617489 ZFGCOPXFQFNYJG-UHFFFAOYSA-N 603.122 7.697 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314620366 OFQYECDTJPIZBK-UHFFFAOYSA-N 603.075 5.153 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643128 DKJMDAIYOUDZSJ-HKBQPEDESA-N 569.444 7.409 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(F)c2)cc1 2314646674 IVWHTEITKSCXKS-WJOKGBTCSA-N 714.775 6.183 50 10 KKGE CCC(=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321347490 UUQFIXWESVDAQO-RUZDIDTESA-N 580.504 5.896 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(I)ccc2Cl)C1 2327240209 LDAUJSQKBOKTEU-GOSISDBHSA-N 591.655 5.666 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331362915 YWMLWDYQJNILCT-UHFFFAOYSA-N 516.450 6.646 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 2331385596 SPVKUWLOYWFKSC-LJQANCHMSA-N 503.624 5.798 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1Cl 2331472325 JYZPWJVMIBFVKU-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE FC(F)(F)c1sccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336077905 MASRPJFBCWAHGB-KRWDZBQOSA-N 506.181 7.593 50 10 KKGE CC1(C)COC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336201710 WLRDSUTWMCBPNQ-LHLIQPBNSA-N 584.766 6.845 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1Br 2340063024 GRONGUYFMBJPKA-NSHDSACASA-N 522.352 6.470 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c1Br 2362252302 REORXDSEZVBVBE-LBPRGKRZSA-N 570.703 7.857 50 10 KKGE CC1CCN(C(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 35343241 WUVWXBHZCXYDQG-MDVMQCDRSA-N 500.451 5.678 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 38660193 FVIDECZCBYWAFX-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 40910650 DLXMVVLOROBVSI-FMFFXOCNSA-N 513.037 6.774 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59678931 UCFHHBOZSYIZNJ-UKTHLTGXSA-N 508.224 7.354 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 100078171 TYYYQUCAFJYASD-UHFFFAOYSA-N 523.039 5.065 50 10 KKGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 100869935 ZCYNYKVFGIRJOQ-HNSNBQBZSA-N 582.053 5.026 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@@H](CC)C2 101193854 JDJABECEFOQFGB-YHZJOHHESA-N 543.472 7.552 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244947 WCFLYZGDXKBCOT-OMBWOSJFSA-N 536.484 6.929 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245234 KJUQDOQBFUMPAZ-RAMZYJDASA-N 552.483 6.766 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101334896 AHQHNEWKLZPLNG-WGOQTCKBSA-N 530.584 5.349 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 101373013 WXEKUXASPFAXDL-MHZLTWQESA-N 530.577 5.329 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101374039 UHXYDCYUXLFCDM-SSEXGKCCSA-N 577.077 6.737 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384259 NITQHTJARYXCJP-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 101386081 PAKHXSDACDXBIH-HKBQPEDESA-N 614.010 6.038 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397852 GAASWYBDZCROBK-MUUNZHRXSA-N 617.485 8.364 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101397977 KWKNSNIDMPYXHQ-LOYHVIPDSA-N 601.442 6.536 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(\CNC(=O)c2ccc(Br)cc2)c2ccccc2)C1 102040901 LQXGVKLBVFWUQL-JDGBATRHSA-N 583.571 5.689 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 102665842 JSDHYVNETDFYQO-ZUGOUDHMSA-N 528.848 6.712 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(OC(C)C)c(OC)c2)cc1OC 102778948 MDKNTHNHXRZAIZ-YHFVJUSRSA-N 575.146 5.546 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Br)cc1 102934545 MYKNHEISWATLTA-LDADJPATSA-N 531.328 6.601 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 103727874 RMHSJPAMKSEPOT-LKNXVUQUSA-N 522.024 6.758 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccccc2)N(c2ccc(Br)cc2)C1=O 103741701 GTPDLWWXOGGFQZ-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12 103876982 YDXAVQPUUONOLO-KCSSXMTESA-N 539.429 7.420 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 142437853 DXXWXUIFBHNEAK-RELWKKBWSA-N 550.615 5.815 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463068 BRVXDKXSKUOTEQ-FIRIVFDPSA-N 631.468 6.545 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479730 NCAFMCWBESTNRS-DHUJRADRSA-N 633.531 8.528 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 206559159 BLDLNBNHGVBWLB-ZONZVBGPSA-N 623.903 6.902 50 10 KKGE in-vitro CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)ccc1C 206740781 QDMSKTJYJATBQP-KQWNVCNZSA-N 502.567 5.283 50 10 KKGE Cc1ccc(C2=C(C#N)[C@H](N[C@H]3C(C#N)=C(c4ccc(C)cc4)Oc4ccccc43)c3ccccc3O2)cc1 206895348 VDCPZVGETQUDHY-ROJLCIKYSA-N 507.593 7.330 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 207200895 OEXQLGZQXZONHA-XYGWBWBKSA-N 515.679 7.202 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc([N+](=O)[O-])cc1 254305442 ICUWXBBUJKGOFN-UHFFFAOYSA-N 547.662 5.175 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254396868 ZTAIVSGNNLLOIF-UHFFFAOYSA-N 556.578 5.400 50 10 KKGE COc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254479252 CCMYLHVNZDIYAO-UHFFFAOYSA-N 532.600 5.656 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 254594419 UKOMHOXEKKGESR-UHFFFAOYSA-N 511.581 6.037 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 254679520 NSXJXGRHLGXFAX-UHFFFAOYSA-N 606.144 6.280 50 10 KKGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)c2)cc1 254750975 WMMVVGUCXPCWKK-UHFFFAOYSA-N 581.654 5.121 50 10 KKGE Cc1cccc(C)c1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254790688 DSCAJGIDORCLKN-UHFFFAOYSA-N 686.138 6.181 50 10 KKGE CC(C)CCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 254792185 NUOHYOLZZNWGKY-UHFFFAOYSA-N 614.791 5.544 50 10 KKGE C[C@@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254825685 NSYXTAJIOOWVSE-PSSZCEGDSA-N 533.757 6.025 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccc3ccccc13)[C@H]2Br 256020094 WXRSSPGYMIDMLU-NDXORKPFSA-N 573.123 5.287 50 10 KKGE Cc1ccc(S[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OCc2ccccc2)cc1 575447815 BPZAOEUKGFJFIK-QGVRFUEOSA-N 670.988 9.590 50 10 KKGE in-vitro O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc4ccccc4c4c3oc3ccccc34)cc2)cc1 642813741 NVCFHJRAMKFRBI-UHFFFAOYSA-N 571.616 9.108 50 10 KKGE CC(=O)[C@H](C(=NNC(N)=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1081818055 OWHOMSYXRWWYIM-CLLPUHDTSA-N 563.780 5.496 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 1083910990 ZNBSGIGDXIJMSG-UHFFFAOYSA-N 598.928 8.212 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 1083973351 YYZTUNMOISGKMR-RGVLZGJSSA-N 508.380 6.459 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084011296 IOCXSJIFTGABQC-KGENOOAVSA-N 707.204 6.651 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 1084020186 CNEONJHGJHXBFM-DEOSSOPVSA-N 610.332 6.706 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(Br)c1 1084115642 BDXKSXBCAYXXOD-UHFFFAOYSA-N 610.961 6.960 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084316512 WKGYLXQDTIXEHN-KGENOOAVSA-N 673.305 5.797 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1 1084380590 YRAMEOOKBJIDTD-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE CC[C@@H]1C=C([N]NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)Oc2cc3c(cc21)CCC1(CCCCC1)O3 1614106857 AGNXIAOJZNIBNH-GPNASLBKSA-N 600.761 6.106 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865681971 CEZUIGGFHDPJFS-SANMLTNESA-N 543.042 6.915 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1865683195 ADMJUXMCMINVSR-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865688177 MESHHFZYCASTGE-SANMLTNESA-N 504.977 6.573 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865689104 JWXVOYXZKWDMNU-GDLZYMKVSA-N 575.496 7.051 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695401 ODUYPWLCOOXCHG-NDEPHWFRSA-N 524.596 5.747 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696338 ZGVUTEOAAOGSRT-HHHXNRCGSA-N 527.024 6.202 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697739 AMNQATOJOFYLIA-QFIPXVFZSA-N 557.876 5.924 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700887 HAEIKAVKZSQQER-MHZLTWQESA-N 557.050 6.428 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700981 ITLLHRIIOODQIC-VWLOTQADSA-N 503.389 6.285 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714142 DRORAYAXGWORPO-KRWDZBQOSA-N 541.313 5.198 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866676025 REPXCDHVVKHXRR-MUUNZHRXSA-N 584.654 5.066 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CCO2)cc1 1868320110 BNUMGCUYHFYGTH-MHZLTWQESA-N 507.663 6.909 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1C 1868341950 FGNIVCYQRJFMEN-QFIPXVFZSA-N 501.656 6.260 50 10 KKGE CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1 1868414073 HTXPDUAGXVLEKT-MHZLTWQESA-N 540.136 8.753 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751471 JONBTOPRQSWRGI-NMWGTECJSA-N 503.461 5.978 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 1873920472 GJMNLXQNIQZTPL-BJTZIBPKSA-N 511.987 5.335 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc(I)c1 1923050235 RRPFUFPYZKLXNC-MRVPVSSYSA-N 571.297 7.015 50 10 KKGE Clc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923055280 RIIAFHBEUJGJSM-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071178 HGWJCXMUYCATPQ-ZCFIWIBFSA-N 529.522 5.876 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC23CCCC3)c1Br 1924569280 SKPZVFSKYKKSNX-SVRRBLITSA-N 507.911 7.052 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593302 DLSDDUUHPRADLT-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616671 ROVYFBUMPISEOH-WCBMZHEXSA-N 525.970 7.790 50 10 KKGE Brc1ccc(C[C@@H](Br)c2csc(Br)c2Br)cc1 1945187673 YXURJCSMNINTFD-SNVBAGLBSA-N 503.879 6.714 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)sc1Br 2003648932 DDEUHHUDIQBMQT-JTQLQIEISA-N 554.842 6.501 50 10 KKGE FC1(F)C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779212 DTLUWPSRIDGISZ-HGJMQJFTSA-N 518.215 6.672 50 10 KKGE Cc1cc2sc([C@H](Br)c3sc(Br)c(C)c3Br)cc2s1 2100323428 VCUVZYLGAGNKLX-NSHDSACASA-N 501.128 7.650 50 10 KKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)ccc1I 2204501276 XTWYMRGSHYBZRA-CQSZACIVSA-N 517.933 5.825 50 10 KKGE COC1(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206398537 WDSYIEMKHBPDRH-JTQLQIEISA-N 554.342 7.366 50 10 KKGE Clc1cccc(Cl)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405531 LZXHWCAUAKIOMO-CYBMUJFWSA-N 587.158 8.372 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)c(Cl)c1Cl 2224311679 NAKONGSTZYHLQA-MRVPVSSYSA-N 593.187 8.480 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1I 2224626238 IFWMAYJDQHEKQC-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2234069972 UCRQTADBPUWYDD-YCRPNKLZSA-N 509.673 5.574 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235609800 OSYXCFKAGKXBMS-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2285650637 POWCFVFUENXZFW-YZGOCOMISA-N 560.296 7.698 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288350779 ARNDQIFRBRGYPI-LLVKDONJSA-N 584.793 6.718 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 2294610009 PTKBDLJNKFWQLQ-UHFFFAOYSA-N 518.747 6.217 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2295482967 JYLPSBVDGVNAIO-UHFFFAOYSA-N 621.650 5.200 50 10 KKGE N#CC(=Cc1cn(CCOc2ccc(Br)cc2)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 2296125847 QBRLQFWIGPZPDQ-UHFFFAOYSA-N 570.472 6.651 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507156 WAEQHONPYKEXSP-RUZDIDTESA-N 544.463 7.212 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2I)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647819 DOSYMQJMVWPTAQ-UHFFFAOYSA-N 659.436 5.160 50 10 KKGE CCn1cc([C@H](Br)c2sc(Cl)cc2I)nc1Br 2301086312 MUIMMCVBUXQXMT-QMMMGPOBSA-N 510.420 5.469 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313571132 NYMSMVZMBDNALN-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 2314488725 MYRBZRMBAVXUKG-UHFFFAOYSA-N 559.492 8.643 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2314532582 LRHXOGOHPOWZMY-UHFFFAOYSA-N 519.388 6.265 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592635 ZCBFTDNLFLNHFD-RUZDIDTESA-N 535.591 6.696 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593055 GQYDXNOADOIUMX-RUZDIDTESA-N 552.483 6.135 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593551 OWLOHQJMYPZUCJ-QHCPKHFHSA-N 526.445 5.891 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314617516 ZPMWPTBFDDCUFU-HSZRJFAPSA-N 554.650 6.272 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314618518 OVCSWYMMBZDSJE-UHFFFAOYSA-N 520.614 6.037 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314620985 XVJHLPPVZHFCCO-UHFFFAOYSA-N 596.684 5.055 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640639 GFWPQXGWYKSWOL-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(Br)cc1 2316701330 MRIBNBCLYPHXAC-VIFPVBQESA-N 501.842 5.386 50 10 KKGE C=CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3S2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320729558 LXLHKJZZYLKJIP-UHFFFAOYSA-N 528.684 6.234 50 10 KKGE CCC(=CC(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321371252 URZXYOZYUCWFLO-OAQYLSRUSA-N 548.528 5.701 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(I)c1 2365599989 YFXFUMWCJDQIRL-CQSZACIVSA-N 530.958 5.812 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCC(C)C 34988468 ISOXKDCBXBFJKD-KQWNVCNZSA-N 501.590 6.596 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCCCCCCCCCC 72400273 BQELFFWURYQYQN-DSZXWZEOSA-N 609.376 11.751 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914780 YMQBEXYDXCJJBM-ONHYFPECSA-N 501.067 5.486 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1COc1ccc2ccccc2c1 98063426 QWLYKXWWDZCDOH-MTJSOVHGSA-N 513.937 6.535 50 10 KKGE N#C/C(=C/Nc1ccccc1I)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100057185 YDMWFCSXQPNANZ-RAXLEYEMSA-N 576.213 6.260 50 10 KKGE Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OCc3cccc(Br)c3)cc2)cc1 100553052 JXGXSTZRMVPHTH-FDAWAROLSA-N 542.433 6.353 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101246837 MPSVQCJGGCXAKS-OMBWOSJFSA-N 518.038 6.030 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387518 RIUFQQJZRQSUDW-LJAQVGFWSA-N 618.429 6.927 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390709 HOMPWGWYLXHLLW-HSZRJFAPSA-N 551.451 7.434 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101393317 NZLNUJSVHQKSRE-VMPREFPWSA-N 542.588 5.084 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccc(Cl)cc12 101397923 JVOKZJRBNQZTQB-PMERELPUSA-N 580.999 7.550 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 101704623 ACIGRBYNZMQGCA-BUVRLJJBSA-N 541.438 7.397 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccc(Cl)cc1 101766598 XYRHPNSRNGARJS-MUFRIFMGSA-N 545.861 6.308 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 101767801 ONMSLGVNHMIGPD-AGUNFTMMSA-N 545.861 6.225 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc3c(c2)OCO3)cc1 103879205 HWOUCJFUJRYIRP-QXUDOOCXSA-N 529.596 6.524 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)N/N=C/c1ccco1 106525592 NGAWAOZQDUJGMK-YLSWKDTQSA-N 590.640 6.006 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 109899335 QEBRLZXEJXTAKS-UKWGHVSLSA-N 532.438 6.520 50 10 KKGE CCCC(CBr)(CCC)COc1c(Br)cc(Br)cc1Br 115567216 UQNXRTWYGGSSSE-UHFFFAOYSA-N 535.940 7.334 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(I)c2)cc1Br 128812727 ZCXDXNODBWXAIM-CQSZACIVSA-N 544.850 6.609 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 205643005 WOQUMHUQBHGWLH-YLQFYBHTSA-N 514.581 6.411 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 206544661 NMLCBJKWELJREM-JWGURIENSA-N 514.578 5.547 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214397460 XRQUTXCXSHGVNL-QQXSKIMKSA-N 508.574 5.465 50 10 KKGE O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1 218015447 LDXQDYVZZSCNHP-MAZIBIHTSA-N 810.901 6.840 50 10 KKGE biogenic CC(C)(C)OC(=O)N[C@@H](CCSSCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 220400540 SWCNFGJFBVKSLP-ROUUACIJSA-N 580.810 5.618 50 10 KKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)c(C)cc1Br 235879098 JHZLRUZBJMXCDB-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 252629993 URXUKDDXABJLJS-RCKSTIBGSA-N 547.442 6.241 50 10 KKGE Cc1ccccc1OCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254490927 KJAOILIXIJZXMY-UHFFFAOYSA-N 516.601 5.956 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254525596 UYCZYVPKDTUVPW-LRFODLJMSA-N 732.248 7.176 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254743597 JEWGWKSJNMXVKH-UHFFFAOYSA-N 570.605 5.709 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(F)cc1 254759621 WJEYYBTXKUYKKT-UHFFFAOYSA-N 506.628 5.098 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024865 ISLUIHYFJMYECW-XOGGIGDWSA-N 588.509 8.930 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(I)ccc2F)C1 382713642 IQWXMOGVYWDURJ-RHSMWYFYSA-N 565.164 5.218 50 10 KKGE Cc1cc(C)cc(P(C2=C(C3=C(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)[CH-][CH-]C4=C3OCO4)C3=C([CH-][CH-]2)OCO3)c2cc(C)cc(C)c2)c1 575627696 ZQLODZCBQZEFAN-UHFFFAOYSA-N 722.802 9.504 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 616590989 VVTDWWSTBCENLT-QQBDEIPQSA-N 752.933 8.437 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2I)c(F)c1Cl 689655125 WNXXDVLZGZFRBR-NSHDSACASA-N 522.352 6.470 50 10 KKGE CN1CCN(CCCOc2ccc([C@H](C(=O)Nc3ccc(-n4cc(CNC(=O)CCCC[C@@H]5SC[C@H]6NC(=O)N[C@H]65)nn4)cc3)N(C(=O)CCl)c3cccc(C(C)(C)C)c3)cc2)CC1 1082548677 LSCMDDVUTVJIOG-FQGGVBLBSA-N 913.590 5.875 50 10 KKGE O=C(COc1cc(Cl)cc(Cl)c1Cl)NN=Cc1cccn1-c1ccc(Br)cc1 1084101437 IGHKRGJYFSFIIM-UHFFFAOYSA-N 501.595 5.729 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)cc(Br)c1OCc1ccccc1 1084221602 OFBHGWMYPIWGIN-UHFFFAOYSA-N 548.393 5.646 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1)S(=O)(=O)c1ccccc1 1084233354 MADIOVYYPFPMRI-UHFFFAOYSA-N 741.875 7.351 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(I)c(O)c1 1084244814 JMMUSUQJXZIDCY-UHFFFAOYSA-N 628.426 6.794 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084279284 STJQCZZTPYOSGF-LGUFXXKBSA-N 552.472 6.437 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1C#N 1084301066 NEAHJYRGYYJGIS-UHFFFAOYSA-N 713.430 7.587 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 1084365229 BNUPJIKHYCOZFO-QRVIBDJDSA-N 507.590 7.177 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12 1084405737 BWFGIUCHKIYXDT-XHLNEMQHSA-N 592.537 7.166 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1084492897 MISYEIAKYJDQJJ-UHFFFAOYSA-N 506.773 5.323 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084539400 UMIUJNXNUKNMEP-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CN5CCc6ccccc6C5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084610886 RWVOFPDVMDKMQE-VXDAHBTDSA-N 610.758 7.012 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746672 ZFHAKBWRQPSKCU-UHFFFAOYSA-N 533.799 5.093 50 10 KKGE Nc1nc(OCc2ccc(CNC(=O)COc3c(F)c(F)c(OCCOCCOCCOCCOCCCCCCCl)c(F)c3F)cc2)c2nc[nH]c2n1 1775958797 OHHUCZCSUXJJFO-UHFFFAOYSA-N 787.208 5.010 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440615 MNMYVJZZXQKBRM-JDWGDDSTSA-N 586.930 8.621 50 10 KKGE C=CCCCCCCCCC(O[Si](C)(C)C)(P(=O)(O[Si](C)(C)C)O[Si](C)(C)C)P(=O)(O[Si](C)(C)C)O[Si](C)(C)C 1857777580 FXTOMQJWMUDXAC-UHFFFAOYSA-N 691.169 11.591 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865681970 CEZUIGGFHDPJFS-AREMUKBSSA-N 543.042 6.915 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682303 LOIHCKJHJOSMRT-MHZLTWQESA-N 504.634 6.431 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683838 JFYHEFQFIGOYNF-HSZRJFAPSA-N 513.395 5.837 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684723 WNXBACMBXHJVST-QFIPXVFZSA-N 545.393 5.243 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865691244 NQNJAHRVINHPFV-HSZRJFAPSA-N 542.558 6.086 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865691431 RWUBOZCXHSNNHZ-QFIPXVFZSA-N 527.394 5.157 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694916 FNYDLUNKJWXXPS-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)c2ccccc2)cc1 1866732188 ULTASXYHOYZHPP-RBJSKKJNSA-N 513.619 5.411 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccc(Cl)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866758921 XXPZKMWZKRTILF-NSOVKSMOSA-N 564.107 6.334 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867197368 IYPNCXRBWWXTIZ-HNAYVOBHSA-N 504.450 5.304 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)n2)cc1 1868320806 OGELMDISRVUBSD-SANMLTNESA-N 536.636 5.854 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868413628 CJOHLIRACRDXAM-UHFFFAOYSA-N 557.123 6.487 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)n2)c1 1868506062 PUKIBFIDNCGLEI-UHFFFAOYSA-N 561.671 5.913 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2=O)cc1 1872748961 VAGUBHDLBUVZRL-OFGUMHRGSA-N 512.462 7.305 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(C)c1C 1872754471 UQYBWSSXGCDBFE-LVWGJNHUSA-N 511.559 5.775 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757416 DVYVDTBUYAVPSJ-ABCSWIFBSA-N 507.999 5.976 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccccc1Cl 1873499239 LKGTYTQOCLUMEY-HUZSXYRPSA-N 502.011 5.025 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1916375548 WQXNMJRCNMLNTJ-LBPRGKRZSA-N 526.088 5.325 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(I)ccc1Br 1923054560 HDPVZSRHKBISNE-MRVPVSSYSA-N 605.742 7.622 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 1924579389 DUVMGLGAFNLGKQ-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1)Cc1ccccc1 2009710034 DLUHRRURXLHOEH-UHFFFAOYSA-N 566.359 5.667 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1c(Br)cccc1Br 2033090292 CPOPQHZTCHRJGR-UHFFFAOYSA-N 505.914 6.576 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2059285545 ADGVKBOQZDORIW-UHFFFAOYSA-N 580.386 5.975 50 10 KKGE CN([C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080770187 AEPFTTAAOMKDCM-WHAQVLKXSA-N 621.627 7.966 50 10 KKGE CC1(C)c2cccc([C@@H](N[S@@](=O)C(C)(C)C)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080771211 VHKADKPVTWWGNZ-CSPRLXHTSA-N 603.768 8.018 50 10 KKGE C[C@@H]1[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085498782 CVLALBWZMDCJKF-GMTNETGZSA-N 576.693 7.074 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2138249045 UHKKJXJCBHPQSZ-JTQLQIEISA-N 509.872 7.026 50 10 KKGE CC(C)C1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468420 JRBKWGUFPNGIHS-HLCFFCTHSA-N 538.343 7.699 50 10 KKGE FC1(F)C[C@]12C[C@H]2[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470451 HELMXVKTKVJFMK-UTACZLKKSA-N 544.253 7.062 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC3(CCC3)C2)c1Br 2141472065 ZIKFHNBUDPRRKV-LLVKDONJSA-N 580.778 7.753 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)cc(Br)c1 2288359642 ZJRSDCXHYWYNMF-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1nc2ccccc2[nH]1 2294229258 BVEAAZXVQOZMFT-UHFFFAOYSA-N 521.314 5.509 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 2295669936 OBIPUDGRCIWVHN-UHFFFAOYSA-N 501.552 7.597 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507249 ZUOXTRHTZZJBSL-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2297458702 XAVPTGIQKKLDFH-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 2313521380 JZZHKINQVDSLSD-UHFFFAOYSA-N 556.800 6.534 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1C#N 2313567279 IAVFYKJXIRETPQ-UHFFFAOYSA-N 527.024 5.445 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c1 2314476277 LYLMZUDPEQOCAL-UHFFFAOYSA-N 560.701 5.217 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 2314479328 NPLYLPDZXVAVED-QFIPXVFZSA-N 607.157 5.952 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593468 NJVQZDVZMZJVME-JOCHJYFZSA-N 542.444 5.728 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314616501 CDIRCYFJFCZPMO-UHFFFAOYSA-N 631.758 5.815 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314617210 SYVCWSITUQBRFO-UHFFFAOYSA-N 536.584 5.494 50 10 KKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618116 HNPFTKDINPWFHB-FQEVSTJZSA-N 512.993 6.281 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314618146 IDUBWDJRSCPCGE-UHFFFAOYSA-N 543.627 5.822 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618275 KNGHWCKWGSZISG-VWLOTQADSA-N 556.666 7.072 50 10 KKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325068773 KXFQTXNBOQSUQE-RUZDIDTESA-N 508.666 5.386 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331051553 KMLWMQLRLJCBIC-UHFFFAOYSA-N 527.316 5.965 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2331447307 DCPPSRWBZWNDQU-UHFFFAOYSA-N 501.421 7.272 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCc1ccccc1 2331461222 YDSOUQHDVVHBRL-UHFFFAOYSA-N 510.659 7.768 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCCCC[C@@H]1Br 2341836149 DFOLMQGURRYUHU-LSDHHAIUSA-N 502.028 6.057 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cc(I)sn1)CCCO2 2343589277 VADYRVKKDXPKOT-ZDUSSCGKSA-N 515.008 5.320 50 10 KKGE Brc1cc(CC[C@H](Br)CN2CCCCC2)ccc1I 2349847738 MENLSZOOQOQRHS-ZDUSSCGKSA-N 501.044 5.236 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2sc(Cl)cc2I)c1 2363891884 MBYARIQFAUFCMD-JTQLQIEISA-N 560.398 7.272 50 10 KKGE C/C(=N/NC(=O)c1ccc(N/N=C(/C)c2cc(Cl)ccc2Cl)cc1)c1cc(Cl)ccc1Cl 33766779 SIPFMHOFIVXGQM-DRNSWBLSSA-N 508.236 7.290 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 38605505 WOVNOGQUCGVGMW-JVWAILMASA-N 508.622 5.885 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 38607678 GFMBQAZYLNQNDO-JVWAILMASA-N 506.606 5.661 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651720 IRVQVQBUXPNESG-VWLOTQADSA-N 519.395 5.921 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 58892283 FRMJZHUQVMZOJA-NPTNTGAWSA-N 516.594 5.085 50 10 KKGE O=C(c1ccc(-c2ccc(C(=O)C(Br)Br)cc2)cc1)C(Br)Br 59702830 LVIMIMKGJLGWDD-UHFFFAOYSA-N 553.870 5.951 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2C)c1 97984833 KPXDVQWTGFBQCK-DHRITJCHSA-N 607.575 5.585 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1 100238721 BISKTLJZDUKXKN-NYFJFQCHSA-N 602.469 5.632 50 10 KKGE CC[C@H](c1ccc(OC(=O)CBr)cc1)[C@@H](CC)c1ccc(OC(=O)CBr)cc1 100270398 DYLZYDLNNJQIMD-BGYRXZFFSA-N 512.238 5.975 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)o1 101036779 MUSVGNJTSQMCJB-RUZDIDTESA-N 571.514 8.635 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101334319 NBJOVNSQTWLPMY-HGMDYVATSA-N 577.084 7.162 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101338142 OKMBKDJPVKDOPA-OVVQPSECSA-N 524.580 6.120 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 101340258 ZXBPQJRZVWMRET-WEMUVCOSSA-N 586.692 6.562 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362460 IDRPTIADAPIMKT-WJOKGBTCSA-N 532.596 6.085 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362476 WLEHGXPQTODTCF-JGCGQSQUSA-N 546.623 6.882 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367482 KDADMBRADSLRQY-WJOKGBTCSA-N 548.595 6.110 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383400 BCXMBQRRXQVATA-HKBQPEDESA-N 567.041 7.145 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385429 AHFJAAGDOYZKAY-UUWRZZSWSA-N 590.676 7.199 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386365 QOJDZSOFSIIOOZ-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(C)cc1 101387972 QFDPEDUJLVTRNN-XIFFEERXSA-N 576.649 6.809 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)sc2c1 101398471 KUXQTBNDEWOTNS-LJAQVGFWSA-N 613.522 8.533 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2c1 101398735 LGUNRPVVEZRFTP-HKBQPEDESA-N 560.581 7.205 50 10 KKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 102292297 YYFNSLGZEWZKNC-CAQPMQTCSA-N 582.509 6.226 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1CSc1ccccn1 103621749 NESVSSZZLDTATQ-IPPBACCNSA-N 542.499 6.106 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Br)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 103743026 WIKUGQIWBDTKHF-SCIJIFGBSA-N 522.424 5.093 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 110554826 NWIUWTJLBNKARS-NLRVBDNBSA-N 528.587 7.112 50 10 KKGE CCOC(=O)C1=C(CSc2nc3c(cc2N)CCCCCC3)OC(C#N)=C(C#N)[C@@H]1c1ccccc1F 143441583 KCVNZTDMNVXUAY-VWLOTQADSA-N 518.614 5.486 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 150431007 XVZBKPIOIIJQJQ-PCYMAAINSA-N 810.208 6.442 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 150483789 BDJGHHJITMHXIM-SSEXGKCCSA-N 651.930 8.070 50 10 KKGE CCC(CC)N(CCBr)S(=O)(=O)c1cc(Br)c(C)cc1Br 155825797 ZTBMZQVMRRFTTN-UHFFFAOYSA-N 506.098 5.094 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 164722784 NTLDZJZOAMWNMB-NVMNQCDNSA-N 638.218 6.468 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 205664254 VQTYDDVDIKURJU-JUAUWDIFSA-N 518.544 6.242 50 10 KKGE C=C[Si](O[Si](/C=C/CCCCCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 207518943 ZGILDRCGNCKUCX-AWSUPERCSA-N 546.903 7.094 50 10 KKGE O=C(CCCN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 211936339 LYEVNEIMZMYNDU-XDJHFCHBSA-N 551.159 5.651 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccccc2)[C@@H](C(F)F)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 212901415 PYMMPVAYGZWPSQ-AWCRTANDSA-N 609.786 6.289 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 234915364 NFGSIMFNJCXTOG-CQSZACIVSA-N 534.388 6.339 50 10 KKGE CCCCCCOC(=O)c1ccc([Si](CC)(CC)O[Si](CC)(CC)c2ccc(C(=O)OCCCCCC)cc2)cc1 253577961 XSHVAUPFKIUWMN-UHFFFAOYSA-N 598.973 8.262 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccccc1F 254496734 ASSOGTWNHSLILR-FQEVSTJZSA-N 524.625 5.803 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 254513294 KMICNEHTFXUPIS-UHFFFAOYSA-N 500.715 5.950 50 10 KKGE CCCCOc1cccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)c1 254592569 HSJMHMCJRYTNAO-UHFFFAOYSA-N 546.627 7.080 50 10 KKGE CC(=NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(-c2ccccc2)cc1 254703425 WGTKOSZKGJNZCB-UHFFFAOYSA-N 504.706 6.438 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 254816116 BBABOQYEXVIDCB-GKXPFHEZSA-N 502.567 5.022 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019119 MIUAZYCXOGJNJS-WBYFRWOPSA-N 882.946 8.902 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232206 FTUXKEAMZSWESO-BGJFXXJYSA-N 677.433 6.812 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642880607 ADAGVSVPBZZOKW-PKGPUZNISA-N 763.964 7.004 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C2CCCC2)CC1 725238934 UBNDTTXKJSLOCP-JOCHJYFZSA-N 514.013 5.167 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1083927758 NSXPJABFMQKIME-KPKJPENVSA-N 625.031 6.313 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084315385 OGXDEXXHRCKVPP-UHFFFAOYSA-N 558.476 6.943 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084328452 VQDGZJFLLAADHF-RGVLZGJSSA-N 586.700 8.687 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084336520 XDJIUAKMJXLVTA-UHFFFAOYSA-N 603.701 5.282 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4Cl)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084346862 KYRPLKFGRSHVBR-DUELTEGESA-N 562.135 6.957 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084359594 UVPGRCSNZFXBNA-UHFFFAOYSA-N 537.366 5.635 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 1084443133 UKYFUGUOPUTELT-AREMUKBSSA-N 596.319 6.908 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)CN(Cc1ccccc1)Cc1ccccc1 1084479290 ZTEVFQAGVCAVFB-UHFFFAOYSA-N 500.046 5.354 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744444 VJICWPKHAQBRLX-UHFFFAOYSA-N 531.325 5.054 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685579 KNQBPJPFYVCXGE-OAQYLSRUSA-N 507.352 6.212 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865685681 LHJQTEUVBZVLDS-DEOSSOPVSA-N 511.423 6.643 50 10 KKGE Cc1ccc(O)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865687058 IJBMTIFLXBSIKF-HSZRJFAPSA-N 503.389 6.137 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865689107 JXDGDLFNJMRMEB-SANMLTNESA-N 510.569 5.753 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689666 CETJEFHGJGEFQV-PMERELPUSA-N 575.068 7.058 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695155 LKVRNPRDWQDGJT-LJAQVGFWSA-N 550.659 6.329 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700670 ATDGPQKLUSJKNQ-RUZDIDTESA-N 537.834 6.938 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700817 FAPQLTQGCJPTDD-SANMLTNESA-N 531.443 6.929 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714727 OMPQAUBFJNOBNS-QHCPKHFHSA-N 549.414 5.846 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866769818 WKHXDOSAENDGSH-VMPREFPWSA-N 573.715 5.998 50 10 KKGE CC(C)Cc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866864854 JYUMTNWASDLSLS-XMMPIXPASA-N 543.718 5.776 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)c2ccccc2)cc1 1867061403 KTCYHDLVXABDMR-MUUNZHRXSA-N 502.599 6.518 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868342731 YITUMZCBMHEUDC-QHCPKHFHSA-N 505.091 6.164 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C1 1868505579 IQSKKCAYUDQTGI-HXUWFJFHSA-N 523.662 7.198 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1OCCC 1872818213 SGIITPMKLQJTBO-JVCXMKTPSA-N 510.659 8.012 50 10 KKGE Fc1cc(Br)c2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1 1912673922 HIMMNEXXBUNYEM-UHFFFAOYSA-N 500.843 6.769 50 10 KKGE Cn1ncc(Cl)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924608432 IEZCEBJPHOSXMA-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE C[Si](C)(C)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C 1933239412 SISTWHIEWKBYAA-UHFFFAOYSA-N 668.609 9.161 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2csnc2Br)c1Br 2085499522 UBPPZORNCWLWDK-SSDOTTSWSA-N 648.632 7.440 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2097834411 KXRIVBHAQDEYLN-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2125302793 XRYPWTJBIOWARS-RBUKOAKNSA-N 503.775 5.346 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2c(Br)cccc2Br)c1Br 2150494490 QVOUNJDMUGGPQA-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE FC1(F)CCCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406433 ZWAYDCZCAFJDDQ-INWYIAFRSA-N 560.296 7.842 50 10 KKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(Br)cc2I)c1C 2207272641 OUHUISDKURDUJF-KRWDZBQOSA-N 508.035 6.772 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207273298 SVEKJKWTTKETQB-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(I)c1 2218598475 SZIZAZHRQVBDJB-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc(C)c1Br 2227421400 LEQUAQMWCAMMGP-SNVBAGLBSA-N 507.900 7.634 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)s1 2233009303 NMVUFFMDCQTGAA-CYBMUJFWSA-N 503.481 6.900 50 10 KKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234069556 BNXXRELQVWKHMK-GOEBONIOSA-N 511.689 6.526 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1I 2269550899 XARUACPYDBEXJP-CQSZACIVSA-N 516.398 6.153 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1 2294171953 MCIVEFGXIGFSSW-UHFFFAOYSA-N 514.423 6.705 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)NCc3ccccc3)c2-c2ccccc2)cc1 2294193490 UEQUJSWGFQIVIO-UHFFFAOYSA-N 551.646 7.211 50 10 KKGE CCCCOc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2295902672 KMWDMCJYZFVDNR-UHFFFAOYSA-N 522.424 6.834 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(Oc3ccc(Br)cc3)nc12 2296719343 FUTMOBPHBYHXBD-UHFFFAOYSA-N 515.392 6.232 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 2297458854 RNCQYCYOXWWVEY-UHFFFAOYSA-N 529.445 7.305 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2300955998 TXWVCNXOGPWEKE-SNVBAGLBSA-N 529.395 6.592 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)NCCc1c[nH]c2ccccc12 2313556510 BNNSSRKXPODKAF-UHFFFAOYSA-N 626.292 6.380 50 10 KKGE N#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570729 DXXHIMNCTPXXRE-UHFFFAOYSA-N 577.003 5.809 50 10 KKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313738833 RPUURVNTMDFXFD-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE Clc1cc(Cl)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448456 HVPJBFGBCFBACW-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314452959 RZYXOWXBUPJKRM-LJQANCHMSA-N 545.496 7.928 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592746 AZAZRLJPJOVCAZ-IQGLISFBSA-N 550.511 6.859 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593572 PJXRIDIRNOEBEQ-XMMPIXPASA-N 540.472 6.452 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618001 FPCWXPTXIGIHTI-UHFFFAOYSA-N 513.421 5.980 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640779 XTESFDJSYMPGPE-WJOKGBTCSA-N 518.544 6.242 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Br 2331030791 UQRNNHCWLGOURL-UHFFFAOYSA-N 524.908 7.570 50 10 KKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231633 KMPXMHROAJLFJW-UHFFFAOYSA-N 506.414 7.007 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 2331377247 BKFPQVOBSIEPRV-UHFFFAOYSA-N 512.975 5.939 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)c(OCC)c1 2331386480 DJKUCYBVLMWCSO-UHFFFAOYSA-N 506.580 6.047 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc3sccc3s2)c1Br 2362230281 PEFJRNHIVCNHDN-NSHDSACASA-N 519.480 7.765 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccc(Br)cc1 2365216294 SQXGVPSWRDFEBL-LLVKDONJSA-N 529.867 7.100 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1Cl 2365216968 ZRKLUVKLOSSWOC-LLVKDONJSA-N 505.834 7.450 50 10 KKGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 2166357 CDMRJWOAQJARMX-FDAWAROLSA-N 568.482 5.918 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 11852128 JXUZSTUJOMRTOW-ATVHPVEESA-N 558.379 7.321 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1Br 14640796 KMTGYIKIGJQKTJ-UHFFFAOYSA-N 518.452 5.612 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684670 DSSYMHISCDVQDW-NDEPHWFRSA-N 518.997 5.967 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38684694 CVORKUCMUHDGCC-PMERELPUSA-N 504.586 6.702 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686366 SYTBPEYTZNWVGN-PMERELPUSA-N 522.988 6.285 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38700902 AFZUISABDAEAER-DEOSSOPVSA-N 514.921 5.619 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 58893435 JMWPJWHVVVHBPU-ZSYYNXLFSA-N 504.656 5.269 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101245059 DVUASVPTSOQGJT-IYQUHZLLSA-N 560.517 6.946 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245947 RQKZNTYUEZXWPX-IDJUBOEBSA-N 536.484 6.929 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1OC 101339220 MDJWYLLRFLZBBJ-AULUETOISA-N 600.675 5.715 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385346 XWUJCCQQZQMCHZ-MGBGTMOVSA-N 576.649 6.807 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388061 VYIZJAYINPEVHC-XIFFEERXSA-N 609.122 8.053 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)oc2ccc(Br)cc12 101391710 RABGYFMSDXAYRG-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1OC 101730162 PDAOMZZJCKOXSH-DEDYPNTBSA-N 540.483 7.086 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 103881056 OFNRUIFRIPPVFW-VFLNYLIXSA-N 609.247 7.086 50 10 KKGE CCOc1ccc(-c2c(C)sc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c23)cc1 103908222 NTDFRBMPVDFYMQ-MOHJPFBDSA-N 500.605 5.354 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1 104041643 SZMXIUSGIXCJJW-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)cc1Cl 109836102 QTLJIBLKGGDDFO-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150409989 FGAFEOXIWLKQGU-UHFFFAOYSA-N 652.203 5.114 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150463647 LWYFHNWCFITPST-QQEKRWHXSA-N 660.752 5.338 50 10 KKGE O=C(/C=C/c1ccc(/C=C/C(=O)C/C(=N\NC(=O)c2ccccc2O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C/C(=N/NC(=O)c1ccccc1O)C(=O)NC12CC3CC(CC(C3)C1)C2 198725462 DLBQKCSQZHYWSK-FOWAZHNWSA-N 893.054 6.785 50 10 KKGE CCOc1ccc([C@H](Br)c2csc(I)c2)cc1Br 228996028 PMMUJKUDRFMFHP-ZDUSSCGKSA-N 502.009 5.998 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)sc1Br 235863858 HVFAZGQVRNIGCQ-NSHDSACASA-N 550.879 6.670 50 10 KKGE COc1ccccc1C=NNC(=O)[C@@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 252606992 GXEJHPVZCRUNNN-OAQYLSRUSA-N 536.661 5.672 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 252607882 HGARYXQIPSKBPC-UHFFFAOYSA-N 563.731 6.121 50 10 KKGE CCCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccncc4)cc3)c3ccccc3n2)cc1 252613787 JEEFAOXPIQWSGC-UHFFFAOYSA-N 557.654 6.882 50 10 KKGE Cn1c(=NNC(=O)c2ccc(Oc3ccc(C(=O)NN=c4sc5ccccc5n4C)cc3)cc2)sc2ccccc21 254347738 KFERIGRJPGFUEJ-UHFFFAOYSA-N 580.695 5.077 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254761531 DYZZRJOHBVPKRL-UHFFFAOYSA-N 579.782 7.352 50 10 KKGE Cc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382704161 QYTBOFBONRZWRT-QFBILLFUSA-N 514.201 5.545 50 10 KKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)OC(=O)CC[C@H]4[C@@H]3C[C@H](Br)[C@]2(Br)C1 605692902 VMXYTCZASWNLEA-CQHVCZNYSA-N 506.275 5.147 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCN1C[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616670991 CUARUJKFVGYQFO-AREMUKBSSA-N 511.899 8.377 50 10 KKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721574493 YWTUXOGPENKLIT-ZYHUDNBSSA-N 515.027 5.222 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 725388695 BOMUZNSRVNWHGG-SANMLTNESA-N 517.423 6.145 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 725398329 UQPZLMAIJICDAR-RUZDIDTESA-N 579.908 6.987 50 10 KKGE COc1ccc(N(CC(=O)N/N=C(/C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 725405020 GFIGTLIAVOMJGO-LNWRKQMHSA-N 681.771 6.174 50 10 KKGE CC(C)(C)[Si](C)(C)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCC(=O)N1 888086708 KODDPAKQQSAFBK-FQEVSTJZSA-N 653.580 9.306 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1)S(C)(=O)=O 1083849825 MDAKVBHISTYBFR-UHFFFAOYSA-N 645.359 5.268 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1083900701 MIPRBYZPTRZOQQ-VWLOTQADSA-N 545.463 6.334 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(I)cc1 1083903337 KHGHLPVUPAACTQ-UHFFFAOYSA-N 605.226 6.151 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccccc1O 1083949348 UXACLUVNLGMFJF-UHFFFAOYSA-N 500.963 6.397 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1083971260 VZUVGYHPXAIGAY-UHFFFAOYSA-N 700.533 7.707 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 1084140406 QOYQEXRRWSGAFN-DEOSSOPVSA-N 519.400 6.074 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 1084377959 BJTKIRKXBDPWAU-WOJGMQOQSA-N 502.352 5.417 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084379227 RQYPCBNMNQBQAD-UHFFFAOYSA-N 521.469 7.629 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc(Br)cc3Br)ccc21 1084394965 NXEMCUVCHASMOS-UHFFFAOYSA-N 529.232 5.869 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084413526 TUVCFFDUGDBKHI-FSGGQHMVSA-N 516.110 7.249 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1I 1084468021 IGGSSZZLMYOXMB-UHFFFAOYSA-N 723.227 6.931 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084636927 XVQCEESKDJWGID-DEOSSOPVSA-N 620.338 6.162 50 10 KKGE CC1=C(Cl)C(=O)[C@H](Cl)[C@H]([C@@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]3(Cl)CC(C)(C)O[C@]23Cl)[C@H]1Cl 1615217019 KSFTZUJIAOUCAC-UQHFUGGXSA-N 537.953 6.477 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865687775 AHGGDBUWNWIGRE-SSEXGKCCSA-N 575.068 7.041 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865690726 ZRKOWOBLCSHDME-AREMUKBSSA-N 511.025 6.649 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 1865701483 WOTDVHWVIDZQTN-NDEPHWFRSA-N 545.470 6.961 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702534 BITNQMXGKJLUPQ-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cc(Br)ccc1F 1865702652 YJZMUDCDZBSWPG-IBGZPJMESA-N 529.291 6.164 50 10 KKGE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867142084 YGUWOMPQVSDTAV-UPVQGACJSA-N 508.043 5.977 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1868253625 NRYZRMFVYQLLEA-SSEXGKCCSA-N 537.645 5.863 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868413625 CCZNINJBGSSYNT-SANMLTNESA-N 543.071 6.672 50 10 KKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433344 IZNFHZJOXGEQLP-MUUNZHRXSA-N 512.082 7.874 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872756319 HLOMDARLOGENQS-JZJYNLBNSA-N 509.971 5.350 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)\c2ccccc2)cc1 1872758109 MAXCKFBWUQZFLE-RUXPXOEYSA-N 505.064 8.346 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OCC)c3)n2)cc1 1872781921 WHQKJPGHLWCLCY-MTDXEUNCSA-N 508.687 8.503 50 10 KKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1873795597 SMBAMQZLPMXAQD-WMPMWDHYSA-N 504.425 5.028 50 10 KKGE CN(CC1CC(Br)C1)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887885233 FJKOPEPHGTYFNQ-QDQFNNJSSA-N 509.488 5.950 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)o1 1924579292 CRUZNIZWTUDMDG-ZCFIWIBFSA-N 514.258 6.766 50 10 KKGE Cl[C@@H](c1ccc(I)cc1)c1c(Br)sc(Br)c1Br 1924585391 LBFZRQXDUGNSDW-VIFPVBQESA-N 571.297 6.968 50 10 KKGE CCC(C)(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782552 NMWTXKMLMBYEDH-LLVKDONJSA-N 512.305 7.453 50 10 KKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 2030216951 CORKIOAQHPRMOS-ZDUSSCGKSA-N 520.455 6.768 50 10 KKGE Brc1csc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2033619569 LNDJKRLCPURFJM-SNVBAGLBSA-N 535.946 7.459 50 10 KKGE Cc1c([C@@H](Br)c2ccc(Br)cc2Br)nn(C)c1Br 2083335898 ZJFPJBUPLSHKOX-JTQLQIEISA-N 501.842 5.500 50 10 KKGE CCC[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494601 MSWMQNQMKXTTCK-FWXDICJISA-N 524.316 7.453 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138853427 QMWVHTRHVHWEJX-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cn1c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cnc1Cl 2141469955 XZKDWYXMRDXRIZ-JTQLQIEISA-N 601.156 6.608 50 10 KKGE CCCOc1ccc([C@H](Br)c2csc(Br)c2Br)cc1Br 2150344266 GWIGEWVHFZTSQK-LBPRGKRZSA-N 547.932 7.309 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Br)cc1Br 2202365003 OCSLGQPBEALEMK-CYBMUJFWSA-N 548.294 7.120 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2206567295 KMAUYEHERVDFMJ-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)ccc1I 2207100768 DDBFFWGRIPNTNH-GFCCVEGCSA-N 519.924 6.264 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2225632384 BOHBRNYETQBKET-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc(C)c1Br 2227420638 GPQCSJLFRMUYRP-SNVBAGLBSA-N 596.802 7.899 50 10 KKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Br)c(Br)cc21 2234063596 BYLHKHTZATWGJI-XOBRGWDASA-N 511.689 6.036 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2235615152 OJNDJWDWGFTFOE-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE Clc1ccc(I)cc1Oc1cccc(Br)c1CBr 2259930605 RNVHFENJJVIAFB-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1I 2277957819 XHCDUWICYNTDKP-CQSZACIVSA-N 558.877 6.803 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(F)cc2)cc1 2293198232 LXBVYRNRXSFYBD-HSZRJFAPSA-N 526.420 6.506 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)NCc1ccccc1 2294193306 CBLRYZUWQRXMIK-UHFFFAOYSA-N 524.580 6.943 50 10 KKGE COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1 2297021074 BPDKIEKWCSVVBW-SMCANUKXSA-N 548.599 6.342 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4cccc(Cl)c4C)c3C)sc3c2CCCC3)cc1 2313565029 NJZISGPTJIWWHD-UHFFFAOYSA-N 583.157 8.103 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1F 2313571147 OKSGUMFMAKJEQP-UHFFFAOYSA-N 511.380 6.994 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571581 ZRCVRBUXZCZWCW-UHFFFAOYSA-N 542.213 5.642 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Cl)cc1Cl 2313671212 QXBMCWCEQOFBFO-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)S(=O)(=O)c1ccccc1 2314475891 FDOWGIKVFUCNNZ-UHFFFAOYSA-N 535.600 6.596 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314488362 NTPSDMTZRAOYOP-UHFFFAOYSA-N 574.967 9.066 50 10 KKGE Clc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314497161 IDWDGRFGZMTTBI-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2314533683 TYFSDBZNUTZZLN-UHFFFAOYSA-N 504.468 5.668 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592106 LZRHLPULRXZNOJ-HSZRJFAPSA-N 523.536 5.779 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592748 AZCPOSVKAVQUFN-JHOBJCJYSA-N 537.729 6.895 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314617135 RGFAAQPGEDYMCR-UHFFFAOYSA-N 533.411 6.373 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C(C)=C(C#N)C2=O)cc1 2314619750 DUOJVNYQLHRSIR-UHFFFAOYSA-N 559.582 5.291 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643130 DKJMDAIYOUDZSJ-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777442 FNDHPZDPURFUTE-UHFFFAOYSA-N 509.027 6.020 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2sccc2Br)c1Br 2315448460 AMTMWOXESOPKDD-SECBINFHSA-N 542.287 7.312 50 10 KKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311516 PQWMZIWBJSOXAW-NRFANRHFSA-N 512.418 6.620 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 2339648651 NNUVXZCNVVAULD-SECBINFHSA-N 600.765 7.730 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360426581 MYKOEJAZWKEHCD-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc3sccc3s2)c1Br 2362230280 PEFJRNHIVCNHDN-LLVKDONJSA-N 519.480 7.765 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364063093 GDHQNCMRSDDWOI-SNVBAGLBSA-N 531.868 5.591 50 10 KKGE BrC[C@]12CCCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377355205 PUOOSILPXOYBNQ-BBRMVZONSA-N 513.055 5.441 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c(Br)c1 14649965 XIACWXFXHIGJSH-UHFFFAOYSA-N 511.416 5.166 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491708 QMGFDWYSXVQGCH-SLMZUGIISA-N 663.804 5.694 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1 33678462 VKCVASDPFGTCPO-NMWGTECJSA-N 504.590 6.357 50 10 KKGE CCCCc1nc(N2CCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378629 MNURTDLXBNUQPJ-RUZDIDTESA-N 521.040 5.234 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2C)cc(Br)c1OCc1ccccc1 40889021 KZVQYBWXHAULGT-CCVNUDIWSA-N 511.416 5.491 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 48572768 LBZDNKYGKDBGMA-QNKGDIEWSA-N 520.585 6.186 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c1 66201457 OEUBRUDHXFHOAB-UHFFFAOYSA-N 519.480 5.601 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 100233380 BUAHMFAYCJPUJH-HHUCIZBTSA-N 624.359 7.096 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 100327502 GMFVPWYTNICYLZ-WHXCVRPHSA-N 531.834 5.654 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)[C@@H]2Br 100848579 OXHSBBDULUZURV-ONERCXAPSA-N 559.922 5.468 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242233 LJEKPLOOTBCMIU-OGCOBRASSA-N 574.024 6.818 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101337174 CGJMFZIPTRUFBW-OJNYLEBGSA-N 550.659 5.654 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101338082 SLBUXSIVQLITTF-WEMUVCOSSA-N 570.693 6.862 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101338935 RDSBFJWJBCIWRP-RWPZCVJISA-N 520.677 6.265 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 101360612 QJIHWPLQDRGESV-VWLOTQADSA-N 537.443 7.127 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383406 NSMADOXPMUIYQP-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 101391765 OCGKAGJFQXVDKP-FQEVSTJZSA-N 572.813 7.207 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101393124 AMHXADLSNXPRAS-NDEPHWFRSA-N 603.469 7.129 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)oc2ccc(Br)cc12 101398119 JWOHTZICYHADPY-SSEXGKCCSA-N 607.460 7.520 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601894 FSVQBLCNNAUUAI-KLFZOAQUSA-N 538.963 5.741 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccccc1Cl 101712194 YNIMMDIEYAYZMJ-AMVVHIIESA-N 559.888 6.651 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 102006864 IIEQNJIOXVWJHQ-XKJRVUDJSA-N 563.894 6.743 50 10 KKGE O=C(N/C(=C(\Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102966960 MTQOWCGSERTGPD-FPODKLOTSA-O 585.516 8.222 50 10 KKGE CCc1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1-c1ccc(Br)cc1 103908116 DIXTWMHWAFUQEQ-KQWNVCNZSA-N 549.475 5.972 50 10 KKGE CCOc1cc(CNNC(=O)CCCCCCCCC(=O)NNCc2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 150442404 WHPBBWJEOHYKLI-UHFFFAOYSA-N 738.882 6.985 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 161193540 FJUHODBWFVFEDF-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214314650 VBBYFMHEWOJJBD-MIXAMLLLSA-N 546.627 6.350 50 10 KKGE Nc1cc(Br)c(SSc2c(Br)cc(N)cc2Br)c(Br)c1 220664334 KKGIRTNBFBZYAM-UHFFFAOYSA-N 563.960 6.700 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 231432917 ZFRWPAYPCFTQHK-SENBFREUSA-N 701.893 5.876 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 232481793 YRKHFCBSYGWZOK-JTQLQIEISA-N 568.748 7.282 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2I)cc1Cl 234898454 DDBXCQMGCYTCRN-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE COc1ccccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccc(Cl)cc2Cl)n1-c1ccccc1 252621578 NBWUGBQAOIBIDW-QGZVFWFLSA-N 555.491 5.826 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccc(C)cc2)cc1 254442293 RRAOEUHXKQEESX-UHFFFAOYSA-N 525.556 5.513 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)ccc1OCc1ccccc1 254632151 RIDZPXMRJCJOQY-UHFFFAOYSA-N 550.731 5.969 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2I)[C@@H](CBr)C1 382688806 OJUIMJVWTKHPTQ-RDJZCZTQSA-N 500.174 5.038 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1Br 383269545 NYQHOVAVLZILJD-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Cl)c(Br)c2)c1Br 394475583 XBBONVNWYRVVMN-VIFPVBQESA-N 513.398 7.430 50 10 KKGE CC(C)(C)C(=O)O[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591395 YXADDVIQROVGOJ-GNJRFXKQSA-N 630.892 6.196 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)cc1 616691299 ZYKXYCTZNOHSIW-MUUNZHRXSA-N 507.772 6.587 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Br)c1cc(Br)sc1Br 712620716 UMHUYKLGMRARDR-JTQLQIEISA-N 513.398 7.430 50 10 KKGE O=C(N[C@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725237993 BMNMOAFMSDJGMF-RDPSFJRHSA-N 580.028 5.607 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725405919 PDNLBSLFOJXPDS-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1C 725415605 HWQMWLAUVUMULZ-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 725433465 ZLLMIMVUHPSHBZ-QFIPXVFZSA-N 576.285 5.763 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccccc2Cl)c1C 1083888104 GSWYPAHLHRMZAU-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1083943352 HINXUWKPNUUWNU-UHFFFAOYSA-N 759.269 9.470 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1Cl 1084047281 KZZNGHULPAJYBV-UHFFFAOYSA-N 510.424 7.882 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)NCc3ccc(Cl)cc3)o2)cc1 1084137955 HFHINMMUOGZYSC-UHFFFAOYSA-N 647.968 5.706 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 1084148842 YWMNCCIOBRFVFA-JOCHJYFZSA-N 623.285 5.605 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084357588 QYLPYFXIULEEHF-UHFFFAOYSA-N 617.250 6.608 50 10 KKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 1084370514 LZFQMAVJCQGPGA-AQTBWJFISA-N 531.248 5.032 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1 1084379272 KHEFRPPXGPYUSC-RQZCQDPDSA-N 642.118 7.794 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccccc1Br 1084482601 RQVHGCGMSMWAQT-UHFFFAOYSA-N 565.497 5.023 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1084503271 GJNQZCHSTLZEKA-UHFFFAOYSA-N 506.773 5.323 50 10 KKGE C=CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1084543554 YWNATZSXVNTACF-UHFFFAOYSA-N 569.193 5.527 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084588537 YJIXWOWWRLPUSR-UHFFFAOYSA-N 537.682 5.068 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084598538 ZCDHLFBPFYDHCQ-LFVJCYFKSA-N 590.474 5.381 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084650444 ODTXCWRXPLDFAD-UHFFFAOYSA-N 607.029 6.251 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747333 NIPMOILCZQPCIN-AWEZNQCLSA-N 539.405 5.337 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC4)c2n1 1772749007 ISMVKTFNMQKWRG-UHFFFAOYSA-N 545.411 5.653 50 10 KKGE O=C(COc1ccccc1Br)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753988 KQGRQYGVIDIYMD-UHFFFAOYSA-N 518.205 5.320 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865681165 GPPIIILBDHBMIH-XMMPIXPASA-N 549.414 6.177 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688640 XSQUGVUECZWZEZ-MUUNZHRXSA-N 506.606 5.673 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703051 LRBXAKNNRNBLKQ-MHZLTWQESA-N 545.470 6.906 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704202 PWYSAMJAHSRNLC-HKBQPEDESA-N 526.640 6.753 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704660 BDRZMUXKBMKFTC-HHHXNRCGSA-N 544.998 6.630 50 10 KKGE CC[C@@](C)(NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866598354 GVJTYXJJBOPSRK-MUUNZHRXSA-N 538.739 5.586 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866682068 WFCXCKZVRBLCGO-WUFINQPMSA-N 522.630 5.053 50 10 KKGE CCC[C@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866852129 DEYSDQYSBKOLAM-NRFANRHFSA-N 528.465 5.778 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3ccccc3Cl)n2)cc1 1868414717 PIKIWWOLQZOELB-UHFFFAOYSA-N 500.971 6.716 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc([N+](=O)[O-])cc43)n2)cc1 1868527867 JIMLSMSWFUMGJM-UHFFFAOYSA-N 510.579 6.461 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)ccc1OC(C)=O 1872754079 BJGYOSCCCXPYDF-WEVSROCNSA-N 517.390 6.565 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2C1=O 1872754369 PLVKGQFAKHCMEO-LVWGJNHUSA-N 501.608 5.626 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1873941045 UAQLSAGGPLUINM-DAHKLSGCSA-N 521.041 8.702 50 10 KKGE CC(C)(CI)COCc1cc(I)ccc1Br 1904662971 GNMZKCIFCZDDNH-UHFFFAOYSA-N 508.963 5.032 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 1924569371 UKXLZHDGFGGBFM-QWWZWVQMSA-N 505.842 6.763 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1924601238 KAXUMFNWNWCYHB-XHSYRHOGSA-N 505.541 7.922 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(OC)c1 1924602046 RBJUFSWKLNYLRB-JTQLQIEISA-N 549.904 6.537 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 1924616269 NCKUKYKAVKQTTF-AZRUVXNYSA-N 523.910 6.287 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CCC3)c1Br 1924616445 OSYHAJJGEGBTJX-FDLBOYPASA-N 535.965 7.832 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CCC2)c1Br 1995046809 BHDWAMPVNUGOPX-SECBINFHSA-N 540.713 6.973 50 10 KKGE C[C@H]1C([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025780016 NWBWSQCDHWYBEL-LLORDRAXSA-N 510.289 6.919 50 10 KKGE CCCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495816 MXCLOJZIRQAJBQ-LBPRGKRZSA-N 524.316 7.597 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2086020069 PBRLNVMKCWEELT-CQSZACIVSA-N 500.037 6.470 50 10 KKGE Clc1cnccc1C[C@H](Br)c1ccc(Br)cc1I 2086149242 LOLQSUMTHQJIJB-NSHDSACASA-N 501.387 5.781 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(I)sn3)c2O1 2120030677 XQKLWXMNFJPRCB-QTTZVWFDSA-N 515.008 5.318 50 10 KKGE Brc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141472018 YZOAYYIOOFUWGC-SNVBAGLBSA-N 726.540 8.807 50 10 KKGE Cl[C@H](Cc1ccccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206395884 QRBZORGCUNEKPV-LLVKDONJSA-N 611.191 8.022 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)c(C)c1Br 2227361680 GCKJLGZFUDDEPB-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE Brc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2229741550 JZYBMQRFIPSHEC-LBPRGKRZSA-N 531.889 6.455 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232513301 WRJGPAJQFUVTGW-NSHDSACASA-N 542.707 8.310 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2234068679 PTSIDPPKDCQMEA-INIZCTEOSA-N 511.689 5.865 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccccc1OCc1ccccc1 2272726122 JVNHQNWKYHNPDW-LJQANCHMSA-N 502.580 7.397 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293198338 WGKUJAHUEAMQQL-HSZRJFAPSA-N 526.420 5.875 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(C)c(I)c1 2295267684 PEHSEVANQWBJMQ-CQSZACIVSA-N 530.425 6.508 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2295268543 ZTRCWCBPRHMYRA-CYBMUJFWSA-N 595.294 6.963 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc(Br)sc2Br)c1 2299493882 MDSBEFDOJXGHGR-QGZVFWFLSA-N 595.976 8.099 50 10 KKGE Cl[C@H](c1ccc(I)cc1)c1cc(Br)ccc1OCc1ccccc1 2299497722 RXASPGRWJGTGAW-HXUWFJFHSA-N 513.600 6.961 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1csc(Br)c1Br 2299526520 YNDZQDLEBYDCTL-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(I)c(Br)c1 2303539528 OBRSYYPPHZZQGM-OAHLLOKOSA-N 567.059 5.154 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(C)c1 2313567251 FHCSBRWYRBSITF-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Br)cc1 2313567507 KOSUVQZMLRFHGQ-UHFFFAOYSA-N 625.361 6.445 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592338 RFIXNXFHGVIJTG-XMMPIXPASA-N 554.455 6.076 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314617372 WZTQGBOZCCINRD-XMMPIXPASA-N 623.779 5.885 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314618557 PMHONIJWHOMVOD-UHFFFAOYSA-N 538.648 5.593 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646889 SWDNNKGABUHBPX-LJAQVGFWSA-N 648.810 6.348 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1OC 2314728454 CWWBGPPXKANTTC-SFHVURJKSA-N 510.656 6.173 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(Br)cc(Br)c2)C1 2315454047 SPSIHVKLXBINTB-GOSISDBHSA-N 589.106 5.933 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c(C)c1 2331309088 VGYSJFGVLBURPM-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)c1 2331319863 UQVAZFYGOFGOJR-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1OC 2331320612 KPOPNAZLKFJROV-IBGZPJMESA-N 507.587 5.159 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCc1ccccc1 2331474187 LSYFGDAFOPMKDX-UHFFFAOYSA-N 517.050 7.822 50 10 KKGE CC(C)(C)[C@](C)(CBr)COc1c(I)cc(Cl)cc1I 2352104034 LMTPPFCIUXWMMR-CQSZACIVSA-N 571.462 6.375 50 10 KKGE Clc1ccccc1[C@@H](CI)OCc1ccc(I)c(Br)c1 2377610033 BUHBNSPFKXVPAX-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE Clc1ccc(I)cc1C[C@@H](CBr)Cc1cccc(Br)c1 2380514647 GAKXYSGRYRWSON-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608795 LLZRZTPEMMOMEI-BUVRLJJBSA-N 512.993 6.110 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38681687 RZENWWYYSUYGSB-GDLZYMKVSA-N 512.606 5.975 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684606 BZYPSQDKPLNEEL-ACSYHNTCSA-N 510.590 5.966 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38685144 HJAWXXAAGGROLB-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38700976 VEXILNAGFWGNOF-DEOSSOPVSA-N 517.006 6.781 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 40911629 DKSRDRGDRLOMMF-FJEPWZHXSA-N 509.389 6.263 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)cc1 100087316 QLFAHPGPAZGLFN-UHFFFAOYSA-N 617.953 5.367 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100188278 JRZMVPJVJLTQMB-UHFFFAOYSA-N 566.496 6.253 50 10 KKGE Cc1cccc(NC(=O)/C(NC(=O)c2cccc(C)c2)=C(\Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 100472439 WTCVWXQTCLDZCA-YHZPTAEISA-O 590.083 7.074 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1 100883490 IBTKZQMUGRFDPC-DIBXZPPDSA-N 545.042 6.995 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@@H](C)O1 101013834 YRMXEMKFPHHWGW-HGKDCZMISA-N 623.156 5.329 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241250 WZJRKXRFCSLXGY-IDJUBOEBSA-N 552.483 6.135 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101336128 KLQIOZYVQYTSKW-VUTHCHCSSA-N 530.628 6.100 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 101337879 HSNQLSMDOVXMON-GJFYNSNLSA-N 500.639 6.788 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C2=O)cc1 101339965 OIAZROORKQXOHE-JVWAILMASA-N 540.579 6.087 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373931 CZGUKHGOSHHKIH-VYALOUHUSA-N 566.698 7.399 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101374941 XVUJIOJIWJTQMD-GGIKNMFFSA-N 559.062 7.001 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383703 VJBDURYSIKYDFF-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385574 GAPWPXDFXJQERG-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385974 LANUVSGFIHFDJY-GDLZYMKVSA-N 618.429 6.927 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)oc2cc(Br)ccc12 101391285 ALJFLNAKZIFAAB-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1Cl 101392404 OIBHLKZCBKKMIN-NDEPHWFRSA-N 559.449 7.763 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 101395740 DEEWGEQBGVWTDM-WJOKGBTCSA-N 566.654 7.455 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)cc1 101592643 UEMIJWXQSKPZEO-GZZLJNBRSA-N 528.008 7.065 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609846 RDEQAAAQFXMGSK-GUBAARJWSA-N 580.006 7.501 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610168 MMBLHAMNPRZRAZ-IWBSIUBASA-N 555.034 5.305 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCC(C)C 101727528 NREPEKZEZMNHSO-XODNFHPESA-N 597.000 7.292 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102664400 WWQFSRDJRJTWEZ-RGEXLXHISA-N 513.531 6.306 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 102665777 XIDDZGSJPXGNSY-RYEBZEHMSA-N 528.848 6.712 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742871 LTZHCCLVMABVHU-SLSCBCEPSA-N 587.326 7.129 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(F)c1 103880792 PDRUQIIBNZZOPR-VFLNYLIXSA-N 590.243 6.839 50 10 KKGE Cc1cc(C)cc(P(C[C@@H]2CC[C@H]2CP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 104909256 REZOVLQIMMUCQH-HEVIKAOCSA-N 564.734 8.746 50 10 KKGE O=C(N/N=C/c1ccccc1Cl)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1 105448947 QJSVWAOHEAENTO-LTTYKRRRSA-N 579.465 5.354 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 105626943 KSXSPWUZHRVBCH-CPDSRJINSA-N 591.289 6.724 50 10 KKGE Cc1ccc(CN(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 106059462 WSSXQHAMTJRCJU-PXLXIMEGSA-N 614.045 7.197 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118921163 YWOCDRCHNHTNKI-MOTKLJEASA-N 567.836 10.237 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150462440 HGAGZCDLIGUWFM-OAQYLSRUSA-N 642.750 8.335 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1I 163350793 NVQVJCXPSJTRLQ-LODFRUGASA-N 699.612 8.251 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205781542 BQTDGJXBQSKGDF-PUFQGMHOSA-N 678.836 6.357 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214386640 IJFZLGKKYQLEMG-YUMHPJSZSA-N 574.662 6.172 50 10 KKGE C/C(C[C@@H]1C[C@@H](CC#N)C1(C)C)=N/NC(=O)CN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 230205044 KBXRZCKYAOFMGW-QVULFYFBSA-N 573.698 5.415 50 10 KKGE N#Cc1ccc(OCc2ccc(C=NNC(=O)c3cc(-c4cccc(Br)c4)nc4ccccc34)o2)cc1 252603273 FPVBEWOMGIZHJO-UHFFFAOYSA-N 551.400 6.472 50 10 KKGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 252612210 IQFQYMOUTRKSCX-UHFFFAOYSA-N 675.085 5.731 50 10 KKGE Cc1ccc(-c2ccc(C=NNC(=O)/C(=C/C=C/c3ccccc3)NC(=O)c3ccccc3)o2)cc1Cl 252622169 NQFDAHBUFPMQPN-AXOHTDEGSA-N 509.993 6.386 50 10 KKGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C=NNC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1 254302807 OZKLUQOFQLAQCL-KYJUHHDHSA-N 594.628 5.155 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OCc1ccccc1 254364338 MKUIGFZSMLVCLP-UHFFFAOYSA-N 624.788 6.464 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccccc1-n1cccc1 254500556 ZASFAKDDKNWKFH-UHFFFAOYSA-N 509.565 6.767 50 10 KKGE CN1C(=O)C(=NNC(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n23)c2ccccc21 254627225 QFJWQPONTFJOHO-UHFFFAOYSA-N 524.584 5.115 50 10 KKGE O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@@H]2C[C@@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 256464257 VLVPZHPCZCEGRU-YSHBYPNXSA-N 829.308 5.569 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)sc1Br 311551740 LAOLWLDJMOUYSE-LBPRGKRZSA-N 514.020 5.843 50 10 KKGE C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1Cc2ccccc2-c2nn(-c3ccccc3)c[n+]21 888086724 RFOIHIXAKXAZRJ-PMERELPUSA-N 502.714 6.719 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)c1 1084411582 XWTPZPICRQXNOV-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c2cc(Cl)cc(Cl)c2)cc1 1084430134 VJNJCNNZVHECRG-UHFFFAOYSA-N 616.954 6.880 50 10 KKGE COc1ccc(/C=C\C(=NNC(=O)CCCCC(=O)NN=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084606683 QHOMLDRNAWIXIB-ITCDWXNXSA-N 674.798 7.049 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084613991 KVLDRICUYHSGRF-OVCLIPMQSA-N 510.179 7.564 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)ccc2Br)C1 1614690155 DLOQTZZCSRBIFN-PBHICJAKSA-N 568.171 6.255 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)c1 1772746048 AAVQJIFRSUPLIL-UHFFFAOYSA-N 544.007 6.765 50 10 KKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772748472 ABQHEEVUROQHHF-UHFFFAOYSA-N 515.393 5.912 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)cc(Br)c1OCc1ccccc1 1772754262 UJXUVKZPUCNBNA-UHFFFAOYSA-N 548.231 5.328 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 1772756142 MBDWTTKQCGTUHT-IBGZPJMESA-N 539.470 6.252 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1775962956 BCNXKLAHNOFABR-DRBASGSUSA-N 621.035 11.254 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683631 GMGPNTXTXZKGHY-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865693486 JYIDTXKLGKPFPN-SFHVURJKSA-N 519.321 5.661 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865695543 DPACXUZEJDSRPP-LJAQVGFWSA-N 528.697 6.687 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865695776 SSXUEUNBVHHAKL-RUZDIDTESA-N 510.997 5.828 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1OC 1865701347 SRVLACFYUUKUSR-QHCPKHFHSA-N 516.960 5.626 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)c1 1865701548 YADZNQDGGDMAMY-MUUNZHRXSA-N 511.025 6.307 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701624 ZZOKVNOJRDUUIH-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703090 MUOJAHDIEKJWCM-PMERELPUSA-N 534.660 6.638 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OC(=O)c1ccccc1 1865704751 CYUTXRNYEWGLEI-QHCPKHFHSA-N 546.505 5.396 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865710478 YYOSGSOAIPDYPT-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715160 YGPHMLAYKITFGZ-FQEVSTJZSA-N 501.787 5.657 50 10 KKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749536 VVNDUPBOSPCYSI-QNGOZBTKSA-N 503.367 5.812 50 10 KKGE COC(=O)c1c(NC(=O)CCCOc2ccc(Br)cc2Cl)sc(/C(C)=C/C#N)c1C 1873428734 UDCKQQCNRSWNFU-XYOKQWHBSA-N 511.825 5.984 50 10 KKGE CN(CCN(Cc1ccccc1)c1ccc(Br)cc1CBr)Cc1ccccc1 1931965216 KCMKVWOBZALFJS-UHFFFAOYSA-N 502.294 6.483 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Br 1995047072 DHMVJAJBPBJGFT-UKGLUQRTSA-N 561.131 6.800 50 10 KKGE O[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2025782863 KVOQLIQPIASTTJ-QWMRMABFSA-N 556.712 5.944 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2COC2)c1Br 2025784515 VZAPOXYBFMHMKL-ZCFIWIBFSA-N 556.712 6.209 50 10 KKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2029233077 OTDSNDWLYNITIP-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE Brc1sc([C@@H](Br)c2csc(Br)c2Br)cc1C1CC1 2033617671 BGYWYOOJQYZQAX-VIFPVBQESA-N 535.946 7.459 50 10 KKGE CC(C)C(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@@H](CO[P@](=O)(Cl)N(C)C)O3)c2n1 2081228289 WAHZVPMCAUKPIH-IRFDGEDWSA-N 853.317 8.067 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCCO2)c1Br 2085494656 NBUOARXUALCQEF-NKWVEPMBSA-N 570.739 6.742 50 10 KKGE Cl[C@@H](c1csc(I)c1)c1c(Br)c(Br)cc(Br)c1Br 2085496472 QZVNKQVEGYXGBI-NSHDSACASA-N 650.193 7.731 50 10 KKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2123201447 WXWMDNKFLUBAND-CYBMUJFWSA-N 535.348 6.419 50 10 KKGE C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123246958 GNLZDZODXNSSJZ-CYBMUJFWSA-N 505.247 5.473 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172407586 HLTWSSSMDZAGRJ-QGZVFWFLSA-N 509.160 5.520 50 10 KKGE Cc1cc2c3c(c1C)C(=C(C#N)C#N)C(=O)N3C(C)(C)c1ss/c(=N\c3ccc(Br)cc3)c1-2 2185889067 BQKKBSDLOLIUHT-FAJYDZGRSA-N 533.476 6.484 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1Cl 2201611017 MCDBGFBUWBCNCF-NSHDSACASA-N 509.797 7.234 50 10 KKGE Brc1ccc([C@@H](Br)Cc2nc3ccccc3s2)c(I)c1 2207269957 YJTHLHXDORCPNG-NSHDSACASA-N 523.031 6.342 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Cl 2232529940 NRASYTAMZWXDRT-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)c(C)c1Br 2235597713 DNEIKGYXBZXYAV-CQSZACIVSA-N 545.960 7.754 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272720864 AUJOEBHQGVDHQU-QMMMGPOBSA-N 540.847 6.502 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCC[C@@H]2CC3)c1Br 2273335035 SHRNDWXKTZOLQC-ISEFBEROSA-N 580.778 7.753 50 10 KKGE Cc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1I 2277958773 KYTRDZFGNSXUDN-CQSZACIVSA-N 558.877 6.803 50 10 KKGE CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C=C[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@H]3Br)[C@@H]2Br 2293438637 KCHBNJFXKOPVID-VGHOLJQGSA-N 616.026 6.115 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(Br)c1OC(=O)c1ccc(C)cc1 2294764876 NHGMGBQGMBXESP-UHFFFAOYSA-N 656.489 5.635 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2296025074 DQKZJWRVKSOGPV-UHFFFAOYSA-N 514.607 5.392 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1Cl 2296506821 GTYAAEAQPKOHTI-HSZRJFAPSA-N 542.875 7.020 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642646 ZIOPTNAQQBNLAA-SWHKUAFESA-N 649.788 5.330 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 2313511192 SXLRYCNZULTDHS-UHFFFAOYSA-N 511.419 7.344 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314479193 CGEPOLLNMPMUIA-VWLOTQADSA-N 661.788 5.303 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592562 XSHCRZCJHYDCLW-VWLOTQADSA-N 518.038 5.976 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314610686 LBBSLRZXPWGSPU-UHFFFAOYSA-N 536.676 6.808 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314616825 KNOVHMWXZHGEEP-UHFFFAOYSA-N 512.949 5.440 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618546 PJQQHUFVIMTCJE-DEOSSOPVSA-N 542.639 6.600 50 10 KKGE COc1cc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)cc1Cl 2324609746 YGHDQAGCIJYGOH-UHFFFAOYSA-N 517.029 5.110 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)OCCc2ccccc2)c1C 2329703136 ALNMPRSINDLNHZ-UHFFFAOYSA-N 548.617 5.196 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 2333317131 PFXQUFDRMQZVJI-WGDCGEKGSA-N 585.002 10.352 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1c(Br)c(Br)nn1C 2338867502 ORLJNWRJNAQJEW-MUWHJKNJSA-N 516.857 5.342 50 10 KKGE CC1CCC(CI)(OCc2cc(I)ccc2Br)CC1 2341837837 MTMSGLPEOJHPNM-UHFFFAOYSA-N 549.028 5.954 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650907 LHDQVDNZPFODLO-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684679 GVPNQBCQZMGDMN-GDLZYMKVSA-N 510.590 6.114 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(Cl)c5C)c(C)c43)coc2c1 40826895 FDABCQVNQARSIY-WEMUVCOSSA-N 518.013 6.564 50 10 KKGE CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 59304669 UUYGVRRSCDOATR-PPOKSSTKSA-N 500.646 7.187 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921853 ZAJVJHUJEWQAIT-AFAVFJNCSA-N 528.510 6.273 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101293369 XSABFLIWFOJFSI-SSEXGKCCSA-N 540.616 6.122 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 101339419 SPJROSACAKLQJS-STBIYBPSSA-N 512.613 6.257 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1 101367452 SVJOJAWRSVVJDX-DHUJRADRSA-N 568.629 6.794 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380188 DGQFIZPWXIGFAZ-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380942 YUTQAEJNJHBSJC-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384146 QXQXLVSGCGAXDU-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386011 VBTHFONRVVTIQT-PMERELPUSA-N 569.013 6.374 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101390311 HELOGSFMQNYKIZ-XMMPIXPASA-N 531.362 5.950 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCCC(C)C 101393426 QQSZLIQWULWELW-SSEXGKCCSA-N 552.627 6.921 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101397261 YCJUUSIFSFCMLF-HHHXNRCGSA-N 559.087 7.870 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398462 GVTAQXXSMDQORA-MUUNZHRXSA-N 599.495 8.224 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1c(Cl)cccc1Cl 101712904 OZFRDZIDOALNNO-MHDJOFBISA-N 614.323 7.540 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1O 103761325 AQJAGBAARZXJTA-YBEGLDIGSA-N 527.396 5.614 50 10 KKGE COc1cc(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OC 103878291 JAIQNIMPYHTXCF-STBIYBPSSA-N 565.411 5.838 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 103887666 YFCXIXZZKKNFDU-UNOMPAQXSA-N 539.329 5.633 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccncc2)cc(I)c1OCc1ccc(Cl)cc1Cl 105509586 XCJKXYGSQSOBDE-KBKYJPHKSA-N 556.187 5.345 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)c2)CC1 109562099 ZKCMGJKFPKHSGO-MOHJPFBDSA-N 576.682 5.261 50 10 KKGE C[C@@H](Br)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)[C@@H](C)Br)cc2)cc1 111911775 RJDVNPRXIDAMFH-QZTJIDSGSA-N 586.317 5.423 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)c(Br)s2)cc1OC 128295913 KTZUWFQAHFWMOQ-ZDUSSCGKSA-N 501.034 5.783 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432831 UZPXDGQOTKFAFZ-DGOBPVDHSA-N 673.593 8.686 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1Cl 150550774 IGYXWQBUJVYDFE-PXNMLYILSA-N 624.218 6.639 50 10 KKGE O=C(OC[C@H]1O[C@@H](N=C=S)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 150570902 RITGYQZMPNVVEG-MOUVJORGSA-N 637.666 5.348 50 10 KKGE Brc1ccc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc2c1 159682050 ZDZJJFOTEIUERB-CQSZACIVSA-N 539.912 7.673 50 10 KKGE COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 164605803 COQVPCGDHLGYIF-HNSNBQBZSA-N 650.551 5.712 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 164648368 CUWVRUBSIDGDTP-ODNPBWNPSA-N 863.275 8.609 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O 206561490 BEBBEBKQPQRPHS-GSBZAIBZSA-N 584.789 6.223 50 10 KKGE in-vitro CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1 206700910 SZLPHLCELUAKCU-QJOMJCCJSA-N 502.636 6.879 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214276959 DGLXOJPVBVPZNM-CEUNXORHSA-N 542.639 6.429 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214305589 MCVPYKIATFVQSU-VEILYXNESA-N 552.675 6.042 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C2=O)cc1 214393480 RAPSJFLOJWMJTF-YKQZZPSBSA-N 558.638 6.128 50 10 KKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216503281 XPENUKCNGJOJOY-QOCHGBHMSA-N 558.526 6.477 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)sc1Br 232344581 NTDLCJCJTCPDAV-NSHDSACASA-N 506.428 6.561 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 236226408 UETRVYBDOUFVOX-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 254392824 FFIQLZGBFWDJHP-ZEQRLZLVSA-N 612.102 6.331 50 10 KKGE COc1ccccc1C(=O)Nc1c(C(=O)NN=Cc2cc(Br)ccc2O)sc2nc(C)cc(C)c12 254440082 ACTOLPFXFFOSKU-UHFFFAOYSA-N 553.438 5.406 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12 254442126 WKXMDKURZGEARE-WLYJLTEMSA-N 626.713 6.445 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1OC 263631697 MZZQONSNZWUNGB-UHFFFAOYSA-N 573.719 5.808 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@]21C 504010373 ZARWZJUOPFZIOB-PGFGUGCISA-N 637.088 8.632 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H]2CCC[C@@H]2[C@@H](C)c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)ccc2C)c1 575629824 ZBMVOFSEXRPEMA-RLBKAHKTSA-N 762.799 11.738 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585672 FAGFLKDXAVYVFV-ACFIUOAZSA-N 672.973 7.366 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591245 XIJUVZWMRLQMRZ-CQNNVCOLSA-N 834.994 7.822 50 10 KKGE C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@]4(C)C[C@@]3(CC[C@@H]12)C/C4=N/NC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1076430874 VXLVRWWWBQOCCJ-FTDHUGAMSA-N 541.605 5.868 50 10 KKGE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCCSCc1cccc(CBr)c1 1082549770 KXBAJROOZJOYEK-MNUMXRHSSA-N 620.625 5.279 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817658 WUWBJKZWDLYUSB-LIIQBVBMSA-N 684.943 5.808 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1083896245 YTUSBNSDFRLELE-UHFFFAOYSA-N 660.536 5.672 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccc(Cl)cc1 1083924745 LEVYAHISMOGHCP-UHFFFAOYSA-N 618.915 6.699 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2)cc1Cl 1083988516 YTSUDJKYRRZFDS-UHFFFAOYSA-N 509.937 5.013 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(Cl)ccc2OC)cc1OC 1084173033 CMOLLQUKBSJADV-UHFFFAOYSA-N 639.174 5.736 50 10 KKGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084275426 UUZZZGPIAISDNL-UHFFFAOYSA-N 535.087 6.182 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1084280877 DLKHAMOVZZNEEN-UHFFFAOYSA-N 621.329 7.708 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084391434 PGVAOCAGMWZQTO-UHFFFAOYSA-N 585.477 5.658 50 10 KKGE Cc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084576146 OXPVJWMKPCILQV-UHFFFAOYSA-N 532.065 6.116 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 1084594255 YSNRMKKGFNGRPF-UHFFFAOYSA-N 551.046 6.976 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614615067 LKRMBVJDPZCMCF-BXUZGUMPSA-N 523.255 6.110 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748888 OTKXZDPZWNDODE-UHFFFAOYSA-N 564.661 5.678 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684663 VFEARWNYVWJHMI-QFIPXVFZSA-N 535.387 5.787 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693814 ZJIHQRVCBXZJIE-QFIPXVFZSA-N 529.424 5.435 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865694102 PPCOZIYLAWXIET-VWLOTQADSA-N 512.997 6.208 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700780 DEYWKMFKHGPNQR-GOSISDBHSA-N 550.638 5.342 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865700906 HLPBQELVBGVICN-PMERELPUSA-N 575.068 7.307 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701078 LBRNOZVMCUHKIB-PMERELPUSA-N 575.068 7.058 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702797 FLPKRDGQCHGSQW-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703688 ZHAOKNSPFMZSGG-AREMUKBSSA-N 535.406 6.483 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703910 IOTHLVYUSHUVRO-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704559 YSPHRFWXIHYOFQ-MHZLTWQESA-N 579.459 6.745 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705190 OICTZCXZOTVSLL-JOCHJYFZSA-N 532.478 5.337 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c(OC)c1 1865708620 ZLLCBRLZUZNIFF-KRWDZBQOSA-N 511.287 5.433 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865710479 YYOSGSOAIPDYPT-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865710815 JFHNJVLIHJRGJJ-XMMPIXPASA-N 559.420 5.546 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866716042 BJFGPNZDAPOAJI-WUFINQPMSA-N 515.654 6.266 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866729611 QIJVAVKRKSPMNS-VSGBNLITSA-N 585.682 5.206 50 10 KKGE CCCC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866974519 RKHQAOPKAOCCNJ-VXKWHMMOSA-N 502.478 6.076 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866985947 XIUSTKIJYAGWMB-DQEYMECFSA-N 544.479 6.811 50 10 KKGE CSCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132762 WYIHFSOSTOZESD-DHLKQENFSA-N 525.646 5.937 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 1868301116 KZVYWRXSDWZHII-RUZDIDTESA-N 514.054 7.000 50 10 KKGE CC(C)(C)c1ccc(CC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)cc1 1868341974 GIAYBDWFMDJBMO-UHFFFAOYSA-N 513.755 7.847 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NCc3ccccc3)nc(-c3ccccc3)n2)cc1 1868365364 PMUJSMAMDXSQNC-VWLOTQADSA-N 506.635 5.746 50 10 KKGE Cn1cc([C@@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc21 1868456692 TXTYUXVUTAZQGJ-MUUNZHRXSA-N 549.635 5.769 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)n2)c1 1868506140 RJVUUPVZUGBGRX-HHHXNRCGSA-N 555.107 6.542 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5ccc(C)cc5nc43)n2)cc1 1868528423 UGWGDKAWYYLXLN-UHFFFAOYSA-N 530.657 7.410 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCC(=O)N(CC)CC 1872784278 IAZUGWKSGNBPAC-DEDYPNTBSA-N 506.584 5.428 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872792710 MXZJKAGXGSQKAH-FYJGNVAPSA-N 520.485 8.216 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 1922881504 IMHMAAZNNZMLMR-LLVKDONJSA-N 552.351 7.790 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2ccc(I)cc2)s1 1922929024 FHDBBTZXHIEAKU-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)s1 1923048549 HPDHPVVGSNWEJT-RXMQYKEDSA-N 520.320 7.779 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC[C@H]2CCOC2)c1Br 1924604428 BNVZUJWVBNDUOI-BQBZGAKWSA-N 511.899 6.288 50 10 KKGE F[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501188 WRGZWMUHLKNNFH-BAJZRUMYSA-N 572.730 7.311 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(Br)ccc1I 2104784333 UFELCPBACZFTPU-NSHDSACASA-N 534.844 7.039 50 10 KKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2139631008 YJCZCAFJKNXAOV-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Cc1csc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141469002 QBMBBELJDRZPCP-LLVKDONJSA-N 617.220 8.197 50 10 KKGE Cn1ncc(Cl)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469891 XNRAOPNQJVUQEE-SNVBAGLBSA-N 601.156 6.608 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146630545 YAXRAQPZKOHANZ-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2156118356 XXXFESJGTRSQHA-UTMSNSNXSA-N 513.467 7.578 50 10 KKGE Cc1nn(C)c2sc([C@H](Br)c3c(Br)sc(Br)c3Br)cc12 2175243824 QRZQDUJOFHRPCP-QMMMGPOBSA-N 563.960 6.777 50 10 KKGE COc1cc(Cl)c([C@@H](Br)Cc2ccccc2I)cc1Br 2202363710 YTNGCDCMHFLURK-NSHDSACASA-N 530.425 6.394 50 10 KKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2204510966 KWWQTJWUZHQOQT-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCCC23CC3)c1Br 2206398007 PLOWXHSPZIJJHC-UFBFGSQYSA-N 594.805 8.143 50 10 KKGE O=S1(=O)C[C@H]2C([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206398771 YTIXMZUOAXZLGL-LLORDRAXSA-N 616.789 5.463 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206405045 FCFRNVAZNFRRRA-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE O=[N+]([O-])c1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2206405680 OJPGIWILQWJADQ-NSHDSACASA-N 553.226 6.566 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2scc(Br)c2Br)cc1Cl 2279138569 ZUPFJCWKAQCDQL-LLVKDONJSA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c(C)c1F 2279147612 WVFXABFXNYGBMY-CQSZACIVSA-N 529.867 7.214 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 2293707248 MESKDTFZYDANSE-UHFFFAOYSA-N 563.039 5.802 50 10 KKGE CC(C=NNC(=O)COc1ccc(C)c(C)c1)=Cc1ccc(C=C(C)C=NNC(=O)COc2ccc(C)c(C)c2)cc1 2296645890 WPAOFQKWYJAEOY-UHFFFAOYSA-N 566.702 6.089 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)sc2c1CCCC2 2296720241 DCQFUGKDUUTYIZ-UHFFFAOYSA-N 554.628 5.458 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl 2313545859 KPCQWHROUJMKOY-UHFFFAOYSA-N 522.432 5.837 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12 2313545923 OGGWSRUKBVDUQA-UHFFFAOYSA-N 582.498 6.446 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 2313571098 NHLFRCVBRPRYPX-UHFFFAOYSA-N 550.873 8.179 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC[C@@H]1CCCO1 2314478439 LORKSTUVJCALCV-LJAQVGFWSA-N 522.580 5.460 50 10 KKGE CCc1nc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2314491922 QRZUSRHYBPNYLR-QGZVFWFLSA-N 501.671 7.138 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 2314533631 SKIQVYOTTKPGLG-UHFFFAOYSA-N 566.209 5.557 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314591783 DVUASVPTSOQGJT-AREMUKBSSA-N 560.517 6.946 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593010 FTNRTOHMGSYHAL-NSYGIPOTSA-N 552.483 6.306 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593099 HLQMWDRZNULLDB-GDLZYMKVSA-N 523.702 7.218 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)N[C@H](C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314593294 KXRXFZLCHRFBCI-SKCUWOTOSA-N 509.675 6.422 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617448 YPRYZYXGCMORCX-UHFFFAOYSA-N 604.732 6.503 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643341 SVDULXIJCACVCY-XIFFEERXSA-N 562.597 6.559 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 2314720085 DJQQKYCOJMWPGV-ZEQRLZLVSA-N 541.239 6.564 50 10 KKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232279 BXWCZNYYOYEUNQ-UHFFFAOYSA-N 510.575 6.172 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331440402 OKWKMCCIBSNBJQ-UHFFFAOYSA-N 507.442 8.159 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 2331472350 LGEOOKMMDGANAZ-UHFFFAOYSA-N 513.059 7.513 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCCC(F)(F)C(F)(F)F)C1 2362726646 BWBOSBOWKJDLHQ-HNNXBMFYSA-N 515.301 5.576 50 10 KKGE Clc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)c(I)c1 2365595025 FTCSZOTXCYFRJC-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3255669 OGHFETITFKEFNT-GZTJUZNOSA-N 535.747 7.246 50 10 KKGE CCOc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491344 OCVZOQHMHRTCRP-WYMPLXKRSA-N 506.194 5.293 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1 29491594 BCOQISUDWDFGKD-MWAVMZGNSA-N 620.713 6.770 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 38681031 FWILLVHVPIMKGS-HHHXNRCGSA-N 518.953 5.116 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCCC)cc1 38682884 ZNIVFVVALWDTEO-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCCC(C)C 38684331 QMRFHXQUYZRNAO-LJAQVGFWSA-N 512.606 6.256 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 38686451 QLGWKSYCXKVWER-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)c(C)c32)cc1 40813855 BMMXNGJYPSVJCS-PARHTJLUSA-N 521.577 6.735 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 40924895 JGGYGWQOSSOQSR-JFLMPSFJSA-N 518.104 6.674 50 10 KKGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100165549 IVDHAMGQSRZTNT-UHFFFAOYSA-N 546.693 5.365 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 100186774 AQBKTGHRELTDRS-UHFFFAOYSA-N 534.520 5.655 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1 101036567 IZCFCYJSDPSFRI-NBVRZTHBSA-N 525.611 7.007 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244532 XFNOOGYEVGAKFC-UZEPBSNMSA-N 535.591 6.894 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245564 UPWJOLSDYGNHJG-SJCFVWOQSA-N 549.618 7.202 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245927 NPIWKAKZIPKHEV-RAMZYJDASA-N 502.039 6.276 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246579 AQSAPBNDIMVUDM-TUJXDINHSA-N 576.516 6.646 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101333609 BOZOOBBIPFIHEO-RUMWWMSVSA-N 588.683 7.430 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101337039 VITJRLHTTQMRKC-MOLSVDMISA-N 536.632 5.406 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362518 QQTPNQDEEVNNIV-KEEVHDRGSA-N 536.559 5.996 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 101368583 NEBOSQACWAYEFX-VWLOTQADSA-N 557.386 5.222 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 101376234 KVTKGGVLCPUWGC-AREMUKBSSA-N 533.968 6.110 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382896 QAIAAGRBSOFPMB-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101385324 HAWZIPMOECGZMS-YTTGMZPUSA-N 593.592 5.693 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385799 VFOMVYYOHVCVPT-FZYZMVIOSA-N 601.030 6.658 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387843 KCEONOGIAHPHTE-NBLPZQPVSA-N 594.639 6.703 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101389043 APRBLOJDWUNUMF-WEZXKFLESA-N 598.602 6.534 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(F)cc1 101389429 TZSZYMCYUJDILV-NDEPHWFRSA-N 542.588 6.302 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)CC1 101397963 VKMKENQZBALIHA-AJTARLIOSA-N 554.662 7.525 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612276 MYELRXHANHJZTM-UXHLAJHPSA-N 598.270 5.512 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1c(Cl)cccc1Cl 101712868 LODCNZPRQGWJBU-IPBVOBEMSA-N 528.219 6.417 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1cc(C)ccc1C(C)C 102148646 FMANZRRZOITBPO-QJOMJCCJSA-N 541.673 7.130 50 10 KKGE O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 102975637 TWJIPCHJNJKAHS-WWFBMYBLSA-N 549.863 7.638 50 10 KKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(Cl)Cl)[C@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 103033729 WLUXRCVYZYIKCM-QFIPXVFZSA-N 523.338 6.733 50 10 KKGE COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 103873708 RQIKPKZGGOWHQY-DPNNOFEESA-N 570.715 6.133 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105055789 BKBKLNOCCWBHKI-KPGMTVGESA-N 553.829 7.209 50 10 KKGE N#C/C(=C(\C=C(\CC(=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 150574036 DJWDGZLINXMBMC-UCXPDUAKSA-N 628.320 8.911 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 164610245 WHXQFSIMVSAQHP-ODNPBWNPSA-N 708.369 8.302 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195854287 BLDLNBNHGVBWLB-OYUWMTPXSA-N 623.903 6.902 50 10 KKGE in-vitro O=C(N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198741598 KPDXQRPSXGTAKV-AABVJFSESA-N 665.331 7.860 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 205652055 ABCSUTLRPKWKDB-KWIVBHORSA-N 542.635 7.613 50 10 KKGE CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 206562439 YZUJIMXHROAZNZ-LLDGAUDVSA-N 518.811 7.225 50 10 KKGE in-vitro CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 214290338 DLIVFRWPDXPBSI-DIBXZPPDSA-N 524.621 5.347 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214364901 DTZYJPAUMDXQEP-QXPFVDMISA-N 568.677 7.043 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 214369456 ASWXSPVFYHOQTQ-ONUIUJJFSA-N 592.627 5.539 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214370868 SNYOWIIVMLNEJN-VAMRJTSQSA-N 632.786 7.284 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 229790296 JTGHSJQVBHQKPC-UJIARUSASA-N 700.725 12.051 50 10 KKGE biogenic COc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nnc2-c2ccccc2)cc1 254379532 CWZUXHXZZWSHES-XTQYNGJDSA-N 504.015 5.417 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 254513744 NLQWWTZGHYPHGN-UHFFFAOYSA-N 645.087 5.995 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254557306 QCAIMIJWHZGPEG-UHFFFAOYSA-N 541.721 6.606 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1cccc3cccnc13)[C@H]2Br 256019813 GCAWFVIGTCWUBU-JVPBZIDWSA-N 532.070 5.826 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1Cl 256028482 PEGVESMVYVRBCV-UHFFFAOYSA-N 525.055 5.689 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 504010372 ZARWZJUOPFZIOB-NQVADGKGSA-N 637.088 8.632 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 616589681 SPJDUVLVXVPMQD-AREMUKBSSA-N 507.772 6.982 50 10 KKGE Cc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 721617218 WLJUUIIHCAGQAE-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE Cc1sc([C@H](Br)c2ccc(F)cc2I)c(C)c1Br 724907973 DXTYPSFSBZNNOW-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OCC 725440761 LOLWBMAHZSKVDU-UHFFFAOYSA-N 544.073 5.258 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1 1083985427 CVZFHENZTRSVLB-JOCHJYFZSA-N 658.249 5.578 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C)C 1084116673 GYWPAGNYVCMOFO-UHFFFAOYSA-N 579.734 5.032 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(I)c2)cc1 1084171906 FRNMXMNREHIDIX-XMMPIXPASA-N 576.406 5.372 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1ccccc1Br 1084237791 OXYGUBCPULEPEI-UHFFFAOYSA-N 729.965 7.308 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1 1084292286 QOFNWFWHDHKTBU-VWLOTQADSA-N 651.339 6.304 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1C 1084523164 ILOMEFQOXBIYGJ-UHFFFAOYSA-N 514.651 5.300 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 1084553124 HGWFPNBKVIPSFP-UHFFFAOYSA-N 608.492 7.287 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084651405 CAHFABOPZMFAAI-HSZRJFAPSA-N 681.321 5.724 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1772752405 GDZYDRJJTQIJOH-UHFFFAOYSA-N 532.084 6.500 50 10 KKGE CC1(C)COC(CC[C@@H](C(=O)N2C(=O)OC[C@H]2c2ccccc2)[C@H](Nc2ccc(F)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccc(F)cc2)OC1 1848437293 ILUMERHNJVSKQE-LIVPZPDMSA-N 770.990 10.545 50 10 KKGE CC(C)(C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](CN1CC[C@H]1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C 1848441271 QLNZEDMBROJNIN-HJOGWXRNSA-N 578.823 5.430 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684136 UMJIDBHKBLMSQI-RUZDIDTESA-N 546.458 6.198 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688562 VDQVYGWBWHLETL-GDLZYMKVSA-N 555.078 6.983 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865691786 AYWNRDXRKJQGRH-HNNXBMFYSA-N 515.330 5.090 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865695312 NIKPDIJSEWUQGH-RUZDIDTESA-N 530.987 6.016 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696619 IRZYYYOIYJQLSX-MHZLTWQESA-N 540.595 5.760 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1865702988 KEOQCCGOIPTUTC-MUUNZHRXSA-N 561.469 6.992 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711281 UWAJOFZWOXUDPL-QFIPXVFZSA-N 515.397 5.376 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714824 RBCDDYOXOVKQQR-RUZDIDTESA-N 541.449 6.205 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866588092 KAWBSBYDSHAHAJ-SANMLTNESA-N 542.686 5.512 50 10 KKGE CSCC[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866758743 YMRWEBMMGZONBY-RUZDIDTESA-N 525.646 5.937 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866866092 DOQASFZXSFYSQE-CLJLJLNGSA-N 575.785 5.655 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866979984 MFUMADSBSUCXBR-FTJBHMTQSA-N 503.624 5.080 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)n2)cc1 1867071435 VGGXJHMISPMRHT-MHZLTWQESA-N 528.659 5.821 50 10 KKGE COc1ccc([C@@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867215091 URZIESQPKVHTQM-QHCPKHFHSA-N 521.614 5.472 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CCS2)cc1 1868300807 IFBQTPIXJCACBT-AREMUKBSSA-N 525.703 7.072 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)n2)cc1 1868544277 BMOCWXNDGRNWIE-QHCPKHFHSA-N 549.700 7.480 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872753007 CUYUNYAQXQCPIT-KFBJJFSISA-N 510.018 8.030 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)c1 1872792663 KQHOYYYSZDIDQD-HZHRSRAPSA-N 512.631 7.259 50 10 KKGE C[C@@H]1C[C@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2085494628 MZDJDHOBYQNASX-FEQVJCLUSA-N 566.751 7.219 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469279 UJKLZPZOXJTPBZ-DNSOKLHBSA-N 582.794 7.999 50 10 KKGE COc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1F 2168401936 DBKGLXDFKIBENM-LLVKDONJSA-N 513.970 5.880 50 10 KKGE CCC[C@@H](CC(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394122 FAFLXKPULBBABA-BJOHPYRUSA-N 554.386 8.479 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(Cl)c1Cl 2207263421 XHXCWFMQVDHWKG-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1scc(Br)c1Br 2213640159 FUFGWFMMGLTHHY-SECBINFHSA-N 523.935 7.198 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2229147849 OQUZQIOANJFVOQ-SSDOTTSWSA-N 528.318 7.912 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1c(Br)cccc1Br 2229149099 BMRUZQVPJWNEPA-LBPRGKRZSA-N 532.295 7.306 50 10 KKGE FC1(F)C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2266147417 ZMLUBCJKZKQYTE-CAHLUQPWSA-N 543.891 7.297 50 10 KKGE Clc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1I 2283580949 NECPULVTDURYCC-AWEZNQCLSA-N 575.409 5.968 50 10 KKGE Cc1c(Br)c(O)c(Br)c(O)c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1Cl 2295116825 PSHDFNOGXTXDLH-UHFFFAOYSA-N 650.755 5.572 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc2sc(Br)cc2s1 2295412903 ANXFADNUWDMSPT-SECBINFHSA-N 515.517 7.820 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1 2296506868 IVGWYODORVGCGL-XMMPIXPASA-N 504.011 5.722 50 10 KKGE COc1cc(C=C2SC(=Nc3ccc(SC#N)cc3)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 2297505089 CDKGCDUCBZHUJL-UHFFFAOYSA-N 609.527 6.248 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 2297506235 HRCWYWMTQPMJDE-UHFFFAOYSA-N 574.244 6.162 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2301082060 VXOKEGUBPHSCQV-LLVKDONJSA-N 508.977 6.247 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518864 XAQYZTCKFIACHM-UHFFFAOYSA-N 560.275 7.506 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313571006 LEIKCXGLMHHAOT-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1c(Cl)cccc1Cl 2313630533 BJPKMODZZVYXRC-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2313653190 AJCIIGPOKRRNGI-UHFFFAOYSA-N 561.314 5.180 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314617700 UJKGBSCQLGZYSF-UHFFFAOYSA-N 549.030 6.384 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618168 ILUWXNMXZHMYHH-XMMPIXPASA-N 542.639 6.600 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314620158 KYHLNJLYIYCMAB-UHFFFAOYSA-N 588.733 6.885 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 2314646649 HYHZXOQZCFSREE-MUUNZHRXSA-N 697.213 6.297 50 10 KKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329697769 PDWVVWDSXJLOKT-UHFFFAOYSA-N 506.356 5.264 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCCN1CCOCC1 2331467114 IHOMWZYRYKHTHY-UHFFFAOYSA-N 503.668 5.828 50 10 KKGE C[C@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CCBr 2349846981 FSUQHVDQRLEXBU-XHDPSFHLSA-N 501.044 5.439 50 10 KKGE Clc1ccccc1[C@H](Br)CCc1ccc(I)c(Br)c1 2349854952 QECILHLEQKVPKC-GFCCVEGCSA-N 514.426 6.776 50 10 KKGE C[C@@H]1CCC[C@](CI)(OCc2cc(I)ccc2Cl)C1 2352253626 MSUGLRAGXDVOOO-ABAIWWIYSA-N 504.577 5.845 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 2364226911 SEPVHWDNINQDES-VIFPVBQESA-N 543.904 6.407 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 8455951 ZOCYOQCMSSJFGU-PKTZIBPZSA-N 525.476 7.132 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38650739 ZXPDIVQMLSVWSC-XMMPIXPASA-N 505.914 5.474 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660793 LFIVSYLLOIZISN-SSEXGKCCSA-N 504.542 5.990 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 40514744 DJBRBGWJOVYGCW-ZVHZXABRSA-N 514.528 5.735 50 10 KKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 40815450 OXLDNBYORONHML-JJNGWGCYSA-N 505.618 6.446 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)cc5)c(C)c43)coc2c1 40826980 BMNGHRBFEXXWOP-NJZRLIGZSA-N 503.986 6.256 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 100226340 KUINEFZZPBNUEF-VXLYETTFSA-N 607.275 7.430 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 100236602 LRNXEOBVCSJPEX-ZTCOUNKMSA-N 541.475 6.664 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240808 BYAXJAHGPUULSB-BUPOLARFSA-N 509.675 6.115 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C2=O)cc1 101340190 HGLYYBQFYGQFOS-UZWMFBFFSA-N 600.719 6.726 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367568 PRUPIBYSYPABFO-JGCGQSQUSA-N 548.595 5.649 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101375285 IFSBRFMXGBTCAR-GDLZYMKVSA-N 591.502 7.244 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1 101377756 HYKXIJICROZPPY-ZPQRUWLUSA-N 522.645 7.181 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Br)ccc43)c2)cc1 101381933 CAXWBBGWYPGLBG-LJAQVGFWSA-N 567.439 6.774 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 101385662 NHNDHRNBXKAQSK-LJAQVGFWSA-N 583.984 6.273 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101386389 QMFNRELDZCWXNV-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101394761 OWFRIIMHWYHEET-SSEXGKCCSA-N 566.610 6.198 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101398996 BIHBQHPMPGXFDN-ACHIHNKUSA-N 576.605 5.546 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399221 GZBGNQYDRLCAAJ-JGCGQSQUSA-N 621.089 8.036 50 10 KKGE O=C(COc1cc(Cl)ccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101647204 MTBGBAQOFOCLDX-IADYIPOJSA-N 567.654 5.855 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1OC 101730177 PCBMPJBAWHAEQZ-XIEYBQDHSA-N 560.716 7.668 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 102392631 QXFUJKIULWGKHX-IMRQLAEWSA-N 508.622 6.029 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCc1ccc(Br)cc1 102933192 HMUWJVCSAHURBB-LICLKQGHSA-N 542.773 6.144 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742829 IJJTXKWEZWLESD-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Cl)cc1 103878308 KFWWPHKNFNQCFH-ZSNJKBEMSA-N 568.504 8.411 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 103887594 LYQZMQQOWDBYNT-ZDLGFXPLSA-N 563.222 7.031 50 10 KKGE CN(C)[C@H](c1ccccc1)[C@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 199828514 CRDKMPRXRRQNBW-KKUQBAQOSA-N 659.495 9.666 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 205649833 GYDWYMQGKMYEQT-SCQRWLDGSA-N 544.607 6.420 50 10 KKGE Cc1sc([C@H](Cl)c2cc(I)ccc2Br)cc1Br 235974826 UCQVIOIVYIYBCY-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2I)sc1Br 236068872 ZEKWJIZTOOYLOR-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(Br)ccc1I 236143833 KVQXZODQRZCSOG-NSHDSACASA-N 518.389 6.525 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1 254481747 KORNCEGSYMGSJQ-UHFFFAOYSA-N 527.433 5.272 50 10 KKGE aggregator COc1cccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 254754588 NJILFSJKYKOZEX-UHFFFAOYSA-N 502.574 5.891 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)[nH]n2)cc1 254818961 SHNDYUZNJNPXHT-UHFFFAOYSA-N 508.619 5.606 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254842503 MJNJPVASJMZBLR-UHFFFAOYSA-N 527.694 6.263 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccc(C)cc2)cc1 263632318 CTVNBHUPXZKZJF-UHFFFAOYSA-N 541.680 7.100 50 10 KKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 308415789 MXSSBQZOTSUAEK-GFCCVEGCSA-N 531.889 6.455 50 10 KKGE ClCc1cc(Br)c(OCc2cc(Cl)ccc2Br)c(Br)c1 312985099 LQVGXZGRHQIDCK-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 405095980 SFBHHDVDQZDIGA-SNVBAGLBSA-N 545.256 8.043 50 10 KKGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)ccc12 575229187 VLGQRMASAAPPOT-PSDPBTJVSA-N 889.042 8.459 50 10 KKGE in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]4(C)CC[C@H]32)C1 605692402 BXBZRBSTRFMYJK-DMOQRXDUSA-N 530.910 9.325 50 10 KKGE in-vitro Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)sc1Br 692784480 NDEJYVGFIMEFQR-SECBINFHSA-N 521.869 6.853 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCCO2)c1scc(Br)c1Br 705463667 LXHFQAVZPPQLNU-GFCCVEGCSA-N 503.437 6.135 50 10 KKGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 1083850873 XSIDHSXSEQEWJB-UHFFFAOYSA-N 595.675 5.735 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 1083901375 WHTOWBXGEJJWNU-UHFFFAOYSA-N 588.070 7.025 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1083947176 ZCJOTVRYJCTBAD-UHFFFAOYSA-N 510.421 5.737 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1083967884 XWHYWDZRSYDBAH-FYJGNVAPSA-N 599.298 6.185 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 1084250268 NPYKVIPNWZFKOC-UHFFFAOYSA-N 534.465 5.518 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084473496 XZLRCNZNAJDAIG-UHFFFAOYSA-N 724.426 9.106 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12 1084473567 ZWCGFMAANWNBHW-UHFFFAOYSA-N 529.390 6.700 50 10 KKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749953 SSUHPNBOHSVLAS-UHFFFAOYSA-N 500.382 5.407 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl 1772753730 FSOOCFUYPMTJAU-UHFFFAOYSA-N 507.801 6.072 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865691336 PSUARGYCWBHUPZ-NRFANRHFSA-N 503.441 5.550 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865693537 KNDLVUSCQCUDLP-RUZDIDTESA-N 564.539 6.285 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865696415 GJMIYEJLEUDWLC-QHCPKHFHSA-N 577.866 6.581 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OC(C)C 1865696570 HWTWKCVFCNRDLL-AREMUKBSSA-N 510.569 5.751 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865697137 NYXDTMNGYFQIQW-XMMPIXPASA-N 545.437 5.976 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701876 HENKELDJIOWYCK-HSZRJFAPSA-N 565.830 6.380 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703442 VTRDKJGDAXATFR-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703450 VWHRKOFUDNYHRG-MUUNZHRXSA-N 559.497 7.296 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703704 ZUPTYWGUDLHQCW-AREMUKBSSA-N 549.433 6.737 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703965 JQMXTMFVDCKNAW-VWLOTQADSA-N 512.997 6.029 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705690 CFZQAJGMYHDHDG-HNNXBMFYSA-N 540.683 5.433 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)nc(Cc3ccccc3)n2)cc1 1868207156 IFHAACDENDSWJX-HHHXNRCGSA-N 510.598 5.201 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CC(C)(C)c5ccccc5[C@H]4C3)n2)cc1 1868527489 BZLQYWTYUWWEFG-MUUNZHRXSA-N 576.726 6.540 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 1872759707 XDALFCSTMUQIRD-CLCOLTQESA-N 510.612 6.363 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872793080 HKADIGZXUPCMGC-RQZCQDPDSA-N 519.411 7.493 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873794390 GVENPJAZNIJXAX-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE F[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898078450 NXGFXZWZKOBCRT-INNGVCIWSA-N 544.676 6.531 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H](Cl)COCc1ccccc1 1904344480 VMYGWVRVWBQZLD-MRXNPFEDSA-N 508.625 5.310 50 10 KKGE CC(C)(CI)COc1c(Br)cc(Br)cc1Br 1904658787 FOSPGWRQNLYBKU-UHFFFAOYSA-N 526.832 5.814 50 10 KKGE Brc1cnccc1C[C@H](Br)c1cc(I)ccc1Br 1924053983 WAALIQSYRZYXIN-LBPRGKRZSA-N 545.838 5.890 50 10 KKGE CCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924585618 NTOYSTRUODLRMK-JTQLQIEISA-N 517.906 7.082 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2csc3c2CCCC3)c1Br 1924605748 WLIXITNNWVKKMH-JTQLQIEISA-N 549.973 7.460 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC(C2CC2)C2CC2)c1Br 1924605947 YYUHENPXUOCFRA-SECBINFHSA-N 521.938 7.298 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1cc(Br)sc1Br 1940445050 HTTUHGCWNWTXRC-VIFPVBQESA-N 506.428 6.400 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2ccc(Br)cc2Br)c1 2083333834 JXFCPDKIKQZYFK-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1sccc1I 2083450027 GWKXDQRBXOFRPH-LLVKDONJSA-N 502.009 5.917 50 10 KKGE C[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085494777 NKKQCAXIFFFRNA-SPGJFGJESA-N 592.767 5.606 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141471835 WUZLPTWZNRFQFB-VXGBXAGGSA-N 542.287 5.822 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(I)c1 2146629978 UPNOMLUNPGQOAO-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2203689736 BFYZBTLEKGVNRC-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE C[C@H]1OC2(C)CC1([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206394282 FUFQVDRPKLEEDZ-HJVQQPMZSA-N 596.777 7.130 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1 2232077552 RZHWBCVXYNUGDR-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)ccc1I 2235614791 LMSDIJQGAZCATR-INIZCTEOSA-N 528.453 7.070 50 10 KKGE Fc1ccc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277965429 LSEMKPJVCNQDGK-CQSZACIVSA-N 515.840 6.792 50 10 KKGE COc1ccc([C@H](Br)c2ccc(F)cc2I)c(Br)c1Cl 2283560346 CUQRPKSHMGQART-GFCCVEGCSA-N 534.388 6.339 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198279 PYJOODPQRLDIHC-DEOSSOPVSA-N 532.463 6.131 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 2294619979 WNQOUSVJVAIRBG-UHFFFAOYSA-N 576.274 7.288 50 10 KKGE N#CC(=CNc1ccc2c(c1)OCCO2)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295948601 UIYFKCXKZUODFD-UHFFFAOYSA-N 508.353 5.427 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296506717 BMIDIKMAHHDTFR-RUZDIDTESA-N 511.603 5.237 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1 2296706776 QPSWQHDUJFVJRA-UHFFFAOYSA-N 520.633 6.971 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551680 YUFWIKXMGSNVIM-UHFFFAOYSA-N 517.679 5.725 50 10 KKGE Clc1cc(I)c([C@H](Br)Cc2cccc(Br)c2)s1 2300954087 SCDGQERJRFLEEK-SECBINFHSA-N 506.428 6.447 50 10 KKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 2313518204 SHNPCRLDIFVEIG-UHFFFAOYSA-N 504.368 5.641 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518426 BXIYLAFENDCJCL-UHFFFAOYSA-N 534.193 7.316 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)N1CCN(c2ccccc2)CC1 2313566854 BVRVDNBFKIIXGM-UHFFFAOYSA-N 541.789 5.526 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(F)cc1 2313567521 KXNXMTPOQSTLET-UHFFFAOYSA-N 520.004 5.713 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12 2313571529 YJDBYJVDIASJTJ-UHFFFAOYSA-N 592.320 8.762 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCCCn1ccnc1 2314414961 SLPMJLKLTMTGIK-UHFFFAOYSA-N 563.061 6.082 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(C)cc3)c2)CC1 2314475925 FUBGWMSBYYDXDI-UHFFFAOYSA-N 644.775 5.150 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593304 KZZZKOQYWKFQQO-HFJWLAOPSA-N 566.510 6.696 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)c(C)c1 2314610318 GASBYUZJVXUNLE-UHFFFAOYSA-N 534.660 6.585 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314618283 KQNCNUFARXUGJZ-UHFFFAOYSA-N 590.655 6.276 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314619772 FEFFRPJXVZEFMW-UHFFFAOYSA-N 634.664 5.429 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 2314634475 WOOZXBYIGONFSW-HKBQPEDESA-N 516.553 6.324 50 10 KKGE Cc1ccc(COc2ccc(C=CC(=O)Oc3ccc(C=C(C#N)C(=O)NCc4ccco4)cc3)cc2)cc1 2314759927 AKQOEYFSYQNJTG-UHFFFAOYSA-N 518.569 6.009 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(I)c(Br)c1)C(=O)OC(C)(C)C 2325365721 NFKJAFAOMFAQRZ-GOSISDBHSA-N 638.122 6.021 50 10 KKGE CCC(=CC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329571144 IFXGFYLNFFUOAH-NDEPHWFRSA-N 543.645 5.353 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(Br)c1OC(C)C 2331469916 KZYCNSXYAGHRLC-UHFFFAOYSA-N 513.457 7.058 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362219859 ARQWOIFGMCDAJE-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2Cl)c1Br 2362230263 OYRNEFAWCQNLIE-NSHDSACASA-N 526.252 7.795 50 10 KKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1Br 2365858830 WJNOLZFROGCETJ-ZDUSSCGKSA-N 517.043 5.229 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)cc1OCC 6167410 XXZXTADHJPLQAO-LXISSDBLSA-N 595.718 5.899 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 34258267 PDKNRUUMCAJRTP-OBGWFSINSA-N 515.466 6.592 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 35148193 XMYFZYHLEJJLAP-UBICCHBPSA-N 506.386 5.532 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38658572 UKJUUCXERJLZDS-NDEPHWFRSA-N 514.578 5.204 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)cc1 38659573 RVZVMGSRMUCAIH-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1Cl 38687700 VAMARYMUMMTMCG-OAQYLSRUSA-N 501.753 6.093 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 38688610 JQRIKCUEQDKDDO-MHZLTWQESA-N 510.546 5.813 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38700422 GCFOXGZIDMSPBB-VMPREFPWSA-N 518.525 5.442 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812869 BLEFVCINDKDBNS-XHLNEMQHSA-N 508.416 6.197 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(C)c(Cl)c5)c(C)c43)coc2c1 40826902 PGWSNJZXQXZRHZ-WEMUVCOSSA-N 518.013 6.564 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 59502636 LKHBHURKZRLJDP-MKYUKRCKSA-N 524.578 5.004 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1OC 97914970 YUAPDXIEIRGFRR-VIZCGCQYSA-N 541.132 6.509 50 10 KKGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)CO/N=C/c2ccccc2Cl)c2cc(Br)ccc21 97984845 LPCKYQFGUBOTPY-DAVTUUEUSA-N 576.923 5.180 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100182089 VECODZXIJUPICA-UHFFFAOYSA-N 583.508 5.076 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1CSc1nc2ccccc2o1 100185384 MNMVAULGSNJMRB-MWLSYYOVSA-N 526.574 5.738 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1 100233622 QZPRKFBZZGLOBT-ZSYYNXLFSA-N 555.469 5.708 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1 100235552 XVRBQLVYDWNYOX-WGNDPNKDSA-N 529.406 5.530 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 100335514 YBXTVMUZMKXYSZ-LICLKQGHSA-N 532.221 6.889 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244610 HPGUFRLYWVQSLI-GFPZRUSRSA-N 524.429 6.067 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339148 XYJMSWWYFJXLPL-TURZUDJPSA-N 574.637 5.400 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 101340349 AARRUQHVKFMVIM-NHFJDJAPSA-N 530.665 6.278 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5)ccc43)c2)cc1 101381954 LDYMGAFDTUIDTL-HKBQPEDESA-N 553.014 6.430 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101385114 KGGRDOWFPBPMAR-HKBQPEDESA-N 532.596 6.328 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385591 QYAZZJKFUIMQQI-HKBQPEDESA-N 603.458 6.784 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1Cl 101392543 BTWTVEMRGCJPER-RUZDIDTESA-N 555.414 6.237 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101395838 NZMKJGAJONLLJG-HKBQPEDESA-N 601.099 7.964 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398110 BHIGJCOLHYNJBY-HKBQPEDESA-N 615.513 8.189 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)CC1 101398440 ZRRBUJJQVYVAAN-WGAKKPHLSA-N 571.117 8.039 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 101610149 CISOOGKGYWMVNE-YQCHCMBFSA-N 535.600 5.616 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(Cl)cc(Cl)c5)c(C)c43)coc2c1 101620173 JQIDKAHIVDPTBX-RUMWWMSVSA-N 538.431 6.909 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1 101727055 YKQLFLWHEDTKKA-CCVNUDIWSA-N 568.518 6.403 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103881168 UVBJTFFWZCDVOO-ZCTHSVRISA-N 542.433 6.000 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118920971 JWEOPRVXJUYGSP-QNTQNTNTSA-N 549.678 9.359 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 150455210 JCYSHCDHJWYANH-FGZKMHPOSA-N 662.768 5.560 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)C=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 196094710 CBBPZOZLUNXNDK-CUDUCZNZSA-N 573.023 10.021 50 10 KKGE CC(C)(C)[Si](OC[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 197465906 FTCJOOMHYRJOAM-YVEASBDZSA-N 590.792 6.407 50 10 KKGE in-vitro CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 205657705 URROLYWVJGGHQE-LNMNGANESA-N 538.644 6.656 50 10 KKGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OCC 206396946 UCKXTNTWYMURSP-RTCWJMDDSA-N 526.589 5.335 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214305123 JEOBRUOHBICVPH-USHMODERSA-N 538.648 5.735 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214332968 AEXZDDGELXAYFX-UXOBJBFUSA-N 591.693 5.143 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 234975521 RWZRIPMRIOCFBI-CQSZACIVSA-N 516.398 6.153 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@@]2(C)C=C[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 248172177 STDWDYDOHOANPV-UJUWPAKNSA-N 950.167 7.570 50 10 KKGE CCOc1ccccc1-c1cc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2n1 252617160 KNJJQSCFBDKSEF-UHFFFAOYSA-N 531.612 6.652 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2-c2ccc(OC)cc2)cc1 254391796 XBUYVQZSSIDUEH-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE COc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(Br)cc3)c(OC(=O)c3ccc(Br)cc3)c2)c(Br)c1 254423413 NYHFHFZAGBJHBD-UHFFFAOYSA-N 761.217 6.950 50 10 KKGE CCOC(=O)C1=c2sc(=Cc3ccccc3OCc3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1 254703174 OFSPVEBKXYQUIA-XIFFEERXSA-N 641.749 5.059 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Br)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@]12C 254851295 KFRQNXHOVDCRIV-WXXALINWSA-N 530.473 9.245 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(c3ccccc3)CC1)[C@H]2Br 256022832 SVUFCPCPASDVNO-YSSFQJQWSA-N 549.145 5.021 50 10 KKGE CCC1(CC)[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 382256280 GGWWUCRZFUJARW-NEPJUHHUSA-N 569.446 6.270 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)c(F)c1F 398762641 FMPJILCILFIVMX-MRVPVSSYSA-N 543.822 6.937 50 10 KKGE Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1O 616584418 BQBSFIGNUFRIKX-WDHKRQNUSA-N 815.037 9.215 50 10 KKGE CC(=NNC(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 1082753686 QVRVCHZLVYHEMR-PMERELPUSA-N 684.634 5.264 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccccc1 1083906927 WCMQOZSPWQYQAT-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1Br 1083930338 KIXSEXYJNRXKCK-UHFFFAOYSA-N 678.436 6.826 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1084011866 UNACZPWHYJNCDO-UHFFFAOYSA-N 703.802 10.608 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 1084040852 ZNUFGSUPDGKOFS-RUZDIDTESA-N 515.437 6.243 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084064719 IYTUZGHNPILNLI-UHFFFAOYSA-N 535.497 5.441 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084129893 XAUAUNLFWFZDHY-UHFFFAOYSA-N 541.482 7.931 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1 1084148463 OUJLZWGJHQHBIC-UHFFFAOYSA-N 507.359 6.406 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1 1084165058 KWRVDLGRJUDCDN-UHFFFAOYSA-N 542.705 5.361 50 10 KKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084298100 FEJLXAAORYSUFZ-UHFFFAOYSA-N 504.373 5.836 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1084376549 CBZAFOKNWRJNIV-MUUNZHRXSA-N 528.634 6.117 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 1084493497 BSIHSHRZLXOJBC-UHFFFAOYSA-N 577.515 8.526 50 10 KKGE COc1cc(C=NNC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12 1084527142 YDRIANZXDXXHSJ-UHFFFAOYSA-N 609.420 5.323 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl 1084613517 QYZMQMTYWFKLMR-RGVLZGJSSA-N 525.830 6.853 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653465 DPORNIZGLHNIBH-PPBORXCNSA-N 550.511 6.914 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1cccc(Cl)c1 1772752441 MQBRFXCRNNKXQQ-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755085 LUJZILPRMVHTPM-UHFFFAOYSA-N 562.555 6.783 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865682554 RGMWZQNZGDEQGF-FQEVSTJZSA-N 511.771 6.857 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865686831 BZYVEPFIFBKSDS-NDEPHWFRSA-N 573.068 7.187 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688151 LERXTVWVUWLQEU-SSEXGKCCSA-N 534.660 6.638 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865691117 JPWPUYHJSZLUTP-SANMLTNESA-N 525.008 6.043 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692359 LNDVDMBAAGBNIQ-XMMPIXPASA-N 514.969 5.437 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695400 ODUYPWLCOOXCHG-MUUNZHRXSA-N 524.596 5.747 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695547 PQZOEYDDVAESLO-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697543 VZXCETAEFTXYRJ-XMMPIXPASA-N 510.997 5.690 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865703187 PICREUCPIHEKHD-MHZLTWQESA-N 575.496 7.463 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(Cl)cc2)cc1 1867220724 PPZONVTVTSJNFW-BVRKHOPBSA-N 570.114 7.330 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1Br 1872727521 HFCVZIZYAUIXOH-XSFVSMFZSA-N 554.485 7.309 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 1872747414 BKPJXZZXAVBRRO-PNHLSOANSA-N 521.598 6.576 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c(OC)c1 1872755205 CRSNLWICAHZEOP-VAYDFKCMSA-N 511.987 5.335 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)c(OC)c1 1872793497 CQJIRMQPZNXFDM-LZYBPNLTSA-N 515.429 6.450 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1I 1923065960 JUJSIOBXMVYETP-MRVPVSSYSA-N 585.324 7.324 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2c(s1)CCCC2 1923068932 YYZYKBFMBLCDAD-JTQLQIEISA-N 505.522 7.351 50 10 KKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924568192 CPBPPYMYHKICJP-OIBJUYFYSA-N 523.954 7.688 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 2053510767 QXPDFEFTSXMMBM-UHFFFAOYSA-N 715.669 6.591 50 10 KKGE C[C@@H]1CO[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085492793 RQCOEROYPQCQMD-PTOCZWBJSA-N 526.288 6.442 50 10 KKGE C[C@@H](C1CCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493651 FICFAUDMKCSFJI-UPONEAKYSA-N 568.767 7.609 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ncsc2Br)c1Br 2085494253 KRYGYOGBGGXSRK-MRVPVSSYSA-N 648.632 7.440 50 10 KKGE CC1(C)C[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495891 SRQYBQQHLQQTCQ-RCOVLWMOSA-N 524.316 7.453 50 10 KKGE Cl[C@H](c1cc2ncccc2s1)c1c(Br)sc(Br)c1Br 2108677894 IIGJQMKCQKDONI-SNVBAGLBSA-N 502.478 6.974 50 10 KKGE BrC[C@H](Cc1cc(Br)ccc1Br)c1cccc(Br)c1 2118523703 BILLPTYYZKDFKR-LBPRGKRZSA-N 511.877 6.695 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3cccc(I)c3)cc(Br)c2O1 2146630331 WDOPBPALSNURKD-RFAUZJTJSA-N 507.991 5.861 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)CC2 2166632704 ZGPYMZXBBSUKCM-OALUTQOASA-N 512.717 6.631 50 10 KKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 2193247080 URSUGNAWPJNLPG-MAUKXSAKSA-N 501.746 5.318 50 10 KKGE CCCCCc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 2197259012 RJLWYXNYSXWMCS-MRXNPFEDSA-N 528.091 7.332 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(CC2CC2)C1 2206397970 PAJDIUYGPAIBOP-WDQARJOWSA-N 550.354 7.843 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(Br)cc3I)ccc2O1 2207273064 REQJIQWXRBFMKN-FVMDXXJSSA-N 507.991 5.861 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sncc2Br)c(C)c1Br 2220153036 UAYCWTAQNAJJKR-LLVKDONJSA-N 518.894 6.532 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2225618423 XGJJIGWHIBUBLJ-CYBMUJFWSA-N 580.709 7.360 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511719 LEVJLVIVICHRMP-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)c(C)c1Cl 2232512822 ORKFNJHRMDVWFO-AWEZNQCLSA-N 593.322 7.571 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)cc1I 2232839206 RBUKEQAPDITPAI-OAHLLOKOSA-N 528.453 7.117 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 2234055608 CONXETDTTVPDJI-IJEWVQPXSA-N 511.689 6.697 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238083397 XXAQRJFVTHEEJS-CQSZACIVSA-N 525.860 6.393 50 10 KKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2260741160 XTXZLPPNPXWHPP-XYZUUMPBSA-N 523.910 6.287 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283586548 JBZVPWHIDUUIPI-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccccc2)cc1 2293253032 CTNPWEKMQQYHQX-UHFFFAOYSA-N 530.097 6.706 50 10 KKGE N#CC(=Cc1ccccc1OCOc1ccccc1C=C(C#N)c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 2296971387 YXAPUROJTUJDET-UHFFFAOYSA-N 534.579 6.983 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@@H]2CCO[C@@H]21 2312063735 AKSJBKVAIFXUJK-VHKMHWKASA-N 524.272 6.051 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 2313562045 AFDDGRKANBVCHA-UHFFFAOYSA-N 578.738 7.540 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592083 LNWKQBQOEFXMCG-AREMUKBSSA-N 550.511 7.490 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593565 PHNNLZAEMWVCRT-BVZFJXPGSA-N 501.583 5.138 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314610832 MUYNBWKAKXTULA-UHFFFAOYSA-N 560.629 6.650 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314616897 MIDMLRPAHLXZCN-UHFFFAOYSA-N 563.455 6.137 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314616906 MPEYZHUZWVTPCS-UHFFFAOYSA-N 574.706 6.842 50 10 KKGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 2314738255 MZQMBLXHXMCDET-UHFFFAOYSA-N 577.033 5.225 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc2c1CC[C@H](C(C)(C)C)C2 2329663774 OMGOLRXPPDVRTD-INIZCTEOSA-N 501.446 5.994 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331260125 MIYGXVAJKNRUFC-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331332713 ASZQNWMWYPFILY-UHFFFAOYSA-N 516.579 5.885 50 10 KKGE BrCCN(Cc1ccc(I)c(Br)c1)C1CCCCC1 2349826511 FUIFTNLGRDDLNR-UHFFFAOYSA-N 501.044 5.583 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)Cc2ccc(Br)cc2)c1Br 2362223688 ILKOCPQJCFFWQA-JTQLQIEISA-N 505.834 7.289 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1Br 2365219627 JENFHEJTVZEPRB-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE C[C@@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CCCC1 2368845737 FYOXBSBKMDCXDD-SNVBAGLBSA-N 515.027 5.222 50 10 KKGE Clc1cc(Br)c(CC(CBr)(CBr)C2CCCCCC2)s1 2372290033 WQULFFGYWRMQLR-UHFFFAOYSA-N 507.557 7.453 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2csc(Br)c2Br)c1 2381251585 JCPOQAJQUMMEDT-GFCCVEGCSA-N 503.481 6.935 50 10 KKGE O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)/C(=C/c1cccs1)NC(=O)c1ccccc1 3084324 OZCAIXTZNOVNNZ-KUEPBFPISA-N 504.615 5.672 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 4520840 ULSKZEAGDMEDFC-PGMHBOJBSA-N 532.021 6.563 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38608243 BMTVEBGVIOGRRH-BUVRLJJBSA-N 505.014 6.243 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650830 CXAKAOZLLWTQMS-CLYVBNDRSA-N 502.542 5.596 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38701313 DPZJWDXULBGTQQ-NDEPHWFRSA-N 508.574 6.748 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 40822934 ASXQBJJPMWEYBP-MWAVMZGNSA-N 523.431 5.811 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 58890707 UNVXLPIFJCPZAT-LLQGPRFRSA-N 516.041 6.290 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccccc1I 97353798 CXDKJPKMPKYPAA-VIFPVBQESA-N 508.528 5.535 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1 100137044 DBGPCTYOXKKPJM-UHFFFAOYSA-N 596.769 5.489 50 10 KKGE Cc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1Br 100206179 ZKNNJVFRRQYXCQ-UHFFFAOYSA-N 532.232 5.216 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3C#N)cc2Br)cc1 100233362 BJZSNNNMIYOHPK-RLKJGOPYSA-N 580.479 5.661 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1 100238687 DXYHNYWIFVGFES-TZMKENEKSA-N 602.469 5.632 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034192 QRISKUGCVVZUHA-LGUFXXKBSA-N 598.687 9.140 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244966 KHTWPSOPDRXDCV-IDJUBOEBSA-N 535.591 6.641 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101332263 HUDSEOJOTSIOJH-WPWMEQJKSA-N 500.558 5.340 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101332536 HHYOGJZGUFSZLO-MTDXEUNCSA-N 514.585 5.730 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 101339723 MNPDFPDLMGUDJT-JVWAILMASA-N 621.093 6.893 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 101362575 UCVLPHCPESGEGA-WJOKGBTCSA-N 532.596 6.492 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101363763 NKNAHBUCMNFWJV-NRFANRHFSA-N 516.178 6.193 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101368062 CNDJASDTNPWOBN-XBBWARJSSA-N 546.595 5.994 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCCC(C)C 101375136 KAIMTVYEDDBKCK-HKBQPEDESA-N 577.077 6.675 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380822 XCUQZOAPSUMNCR-HKBQPEDESA-N 550.586 6.224 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382029 DGROUUQZZLLTGF-MQYXYPNXSA-N 528.608 6.719 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101389051 QIJTUJWEENMWMI-BHVANESWSA-N 600.646 7.323 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101390794 MEJAFZAAYWDSSK-SANMLTNESA-N 545.060 7.479 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101612200 JSYYANHDDFTANC-TWKHWXDSSA-N 530.408 5.781 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OCC)c1 101680135 TXOWUJQABHCMHO-KPKJPENVSA-N 567.636 6.807 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 103881145 KTFQEQUIHHXPBP-WVKHYPTHSA-N 624.568 8.840 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 105053291 NGMOCNBEMLKTJL-ODNPBWNPSA-N 583.471 8.017 50 10 KKGE ClC(c1cc(Br)c(Br)s1)c1cc(Br)c(Br)s1 128884311 QDGDUUJVCLMGOO-UHFFFAOYSA-N 530.326 7.188 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2I)c1 150387820 VRALNPGLIAFBRE-PLIDZJGOSA-N 654.286 5.747 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)c1 150387871 RERILEPHVIVHMH-YBFXNURJSA-N 620.228 6.329 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 150455196 VEJZVKMQDKNKSY-GPMZVODXSA-N 630.682 5.211 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCCC1 164017659 GLBIGVOCGIJMQF-NNLKUIAGSA-N 700.802 7.761 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl 197593283 OOBJYYBJYZJBOV-RGVLZGJSSA-N 515.778 6.905 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 198745238 UJPWPWJRZKWJQN-ODNPBWNPSA-N 583.471 8.017 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214235084 BERUSTBVJKATLJ-NHYZDEDTSA-N 606.726 8.054 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 236177664 VQMNGOFCUIDVGI-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE O=C(COc1ccc(F)cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254489771 ZATWCNOMVIMHJP-UHFFFAOYSA-N 520.564 5.787 50 10 KKGE C=CCOc1cccc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 254702119 BCYZFOZQHMVIRP-UHFFFAOYSA-N 525.630 5.411 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)ccc1N1CCCCC1 256019010 FYEBBFSQZYTOHE-RVVSJWLRSA-N 618.594 5.584 50 10 KKGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 263628330 FUTYCDWVGRIJQP-UHFFFAOYSA-N 532.427 6.022 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 575417280 LKHIBBPOJARUFY-DZMKUOACSA-N 968.182 6.765 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1083907595 VTEXEYYBTZCBNF-UHFFFAOYSA-N 569.514 5.742 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C 1084266725 KZDJIFXMCBHKMP-GRSHGNNSSA-N 530.249 7.497 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1CCc1ccccc1 1084269604 NFYWYLSVPQPZFJ-UHFFFAOYSA-N 690.254 6.598 50 10 KKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084606738 PABPQQONMYVZHC-UHFFFAOYSA-N 649.940 5.728 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1307273374 DIMYHZDULFSWLS-FBVUMLLZSA-N 641.142 11.150 50 10 KKGE O=C(OCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(Cl)Cl)c1ccc(Cl)cc1Cl 1615943031 BENHGKFBYMUHAC-UHFFFAOYSA-N 504.024 6.290 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)COc5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 1772752024 RQYJJIBPMSSXJA-UHFFFAOYSA-N 611.482 5.497 50 10 KKGE CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440252 REAIXLIMKILMDP-LESFUGMYSA-N 685.031 8.590 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682833 YHBHCCSNUWIUBP-MHZLTWQESA-N 502.549 6.117 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865688312 PARKGGNTSIVYGG-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Br)c1O 1865689079 JIZFDTBCRJXQDR-OAQYLSRUSA-N 515.367 5.234 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865692662 DRBGJRSWPMBCSL-HKBQPEDESA-N 572.640 6.933 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865693084 RIDZMFAMJQINPU-LJQANCHMSA-N 578.389 5.844 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865702591 BVHMKVCXWBOFQW-LJAQVGFWSA-N 506.606 5.993 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704576 ZDVLCSJGUMHATR-HKBQPEDESA-N 544.630 6.973 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705196 OKZVQJKFHSLUGU-MUUNZHRXSA-N 555.078 6.652 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706725 DEQODOIPXVRTML-MHZLTWQESA-N 564.086 5.342 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866747494 ZDAZOHNHDXTWES-WUFINQPMSA-N 531.747 6.755 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)nc(Cc3ccccc3)n2)cc1 1868206955 AMFULSXAMSNIRH-UHFFFAOYSA-N 555.729 6.074 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1 1868320596 LMQFNRNIWDLBNS-XIFFEERXSA-N 555.707 7.930 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)cc1 1868505005 BXCYMJZIESHQLK-XIFFEERXSA-N 571.706 7.630 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)cc(Br)c2)c1Br 1922945973 MHELIIHFYCJNOM-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924597011 WKXRALGLJXOKLV-ZETCQYMHSA-N 603.193 7.936 50 10 KKGE Cl[C@@H](CC1COC1)c1c(Br)c(Br)cc(Br)c1Br 2025780686 WCQDNLUUSAUXDB-QMMMGPOBSA-N 512.261 6.053 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012742 IROZDSOIJMGVCC-YDEWACCWSA-N 812.941 15.172 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2093941924 GDWSLVWJLOVZMR-LLVKDONJSA-N 533.905 6.919 50 10 KKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)Cc1cccs1 2123365519 KVZDYWCSLLJYAW-UHFFFAOYSA-N 515.292 5.797 50 10 KKGE CC(C)C[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467946 FGCIPQXDDPIXOL-RWYTXXIDSA-N 582.794 7.855 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(F)(F)C1 2141467948 FGNXBTSJKLXBIO-SNVBAGLBSA-N 546.269 7.452 50 10 KKGE CC(C)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141470600 INURZXVDCHMSAH-ZDUSSCGKSA-N 538.343 7.843 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2141471184 OVESFDKRZIESBY-NPLPXDQHSA-N 534.311 6.919 50 10 KKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(I)c(Br)c1 2146724789 KWKQMFXSCMAFDT-QMTHXVAHSA-N 515.027 5.127 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2c(Br)cccc2Br)cc1Cl 2150495292 WKPZUAOTKVMARJ-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE FC1(F)[C@@H]2[C@@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]21 2206394731 IWOYEFILMLIAEP-KBCUJFDVSA-N 558.280 7.308 50 10 KKGE Cc1ccc(Cl)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405035 FAHSQADCNDHUJU-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE Cc1cc(F)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406183 WJSOJFIYXMKEPB-CQSZACIVSA-N 550.285 7.512 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc(OC)c1OC 2294217684 ALIVPPZHHGXPDK-UHFFFAOYSA-N 798.460 6.583 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2295489460 DFQPSBJACSFDEU-UHFFFAOYSA-N 638.637 5.681 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296472963 AALBYNUFVSZOJM-UHFFFAOYSA-N 530.005 5.542 50 10 KKGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645817 CUSSOCULRQXRDH-UHFFFAOYSA-N 619.453 5.559 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 2296730314 VEBUJLVMPMARPK-UHFFFAOYSA-N 525.008 5.537 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(I)c2O)cc1 2297321748 OMOINASECPPLKM-UHFFFAOYSA-N 708.338 5.369 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458639 OJTGEGNVYLBXBS-JOCHJYFZSA-N 583.851 6.076 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2297532982 UDHKHIHAHMAFRA-UHFFFAOYSA-N 548.220 7.706 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1 2297550627 CUFKRRIWHKFQJL-UHFFFAOYSA-N 555.803 6.781 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568844 ZEIOSLXKYQEHTE-UHFFFAOYSA-N 581.854 5.845 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(F)cc1 2313570681 CWKIUWVVHHUIBV-UHFFFAOYSA-N 505.760 6.919 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313571155 OOAZEDQQRSJZIB-UHFFFAOYSA-N 529.292 6.156 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314610556 JIVYPUUNWFGHBD-UHFFFAOYSA-N 546.602 6.260 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 2314643385 VQIYOFFLWWKFOP-UMSFTDKQSA-N 574.652 7.539 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2320218631 AJRMQBRCIWVTEN-BHNWBGBOSA-N 523.954 7.544 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 2331340072 JXGSKRTZUJGMNC-UHFFFAOYSA-N 519.626 6.722 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1Cl 2331381220 YMFAVYMNWFXWMK-UHFFFAOYSA-N 502.892 5.555 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCC(=O)N(CC)CC 2331452178 PDCPTDUHAHVEGE-UHFFFAOYSA-N 519.623 5.291 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCCN1CCOCC1 2331467448 SJCSWCWARSRBHS-UHFFFAOYSA-N 505.640 5.219 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)cc(Br)c1 2365217368 DHRJBFKTHASAPL-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NN=C(/C=C\c1ccccc1)/C=C\c1ccccc1 33744285 KWVVOQNULNJADZ-SAQCZPFTSA-N 511.419 6.880 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@@H]1CCCO1 33939033 YFBRXZZHXXBQNM-OTWBZIOASA-N 522.580 5.460 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCCC(C)C 38684336 PTWUHCCYDJMETR-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2ccccc2F)cc1 40924923 OTRWKFUCECKOQA-XODNFHPESA-N 512.031 6.424 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100141891 FPGVCNAUWXZCKV-UHFFFAOYSA-N 564.546 5.420 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc(C)c1Cl 100211971 UCJQUHATADWHEQ-UHFFFAOYSA-N 531.834 5.181 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 100234688 FAYSYBUYAOWLMB-PCYMAAINSA-N 580.306 6.698 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243955 DXSDJKWBKYBJEY-MXEOINQWSA-N 566.510 6.696 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244865 YRDPXCDRAAVOEL-MZOFLMDJSA-N 556.009 7.041 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101332256 AMRAQVARCSSUQD-JVWAILMASA-N 535.003 5.994 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101334404 JFHBVUADKDWZFC-RQKPPVNGSA-N 506.606 5.562 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101368055 DTHDLEIGJWUQHR-ADXZGYQBSA-N 546.595 5.994 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)oc2c1 101391521 MZZHABXHAIXFJD-RUZDIDTESA-N 529.390 6.558 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)CC1 101398156 OXHYCXDSANBCKM-OQAYICGZSA-N 536.672 7.386 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614687 DJCPZJVUMOARIO-WHQPAHRZSA-N 581.794 6.502 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 102766796 IVAFWGHFMDWKIX-WTALZMIHSA-N 530.383 6.337 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103540176 QMYMLYFDFLBBPZ-XSZJBBQGSA-N 534.617 5.018 50 10 KKGE COc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 105063475 JCWRQZHCPKFCBF-VTNSRFBWSA-N 535.427 6.924 50 10 KKGE CCc1ccc(N/C(SCc2ccc(Cl)cc2)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422922 LWYXZXGCQPQUOG-VYIQYICTSA-N 506.027 6.028 50 10 KKGE O=C(CSc1nc2ccccc2s1)NNC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 105597372 XSISSBGGTQOXAA-UHFFFAOYSA-N 565.727 5.190 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 207208653 RWGMNVILDYLBCT-JLPGSUDCSA-N 514.647 6.805 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@H](Oc2ccc(O[Si](C)(C)C)cc2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 230600340 OGZFKTDPKHLLEW-IURCNINISA-N 633.168 7.516 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2cc(Br)c(Br)o2)c(Br)c1 252620675 MJNRMGGXGALQEU-UHFFFAOYSA-N 573.861 5.167 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 254485839 NUSABLDDEVPDAH-UHFFFAOYSA-N 570.605 5.709 50 10 KKGE O=C(CCCCCCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254699504 RXCPEKAIWVGTRN-UHFFFAOYSA-N 646.744 6.846 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccccc2F)n1-c1ccccc1 254875918 AGQGZKJMJWFLOB-SFHVURJKSA-N 614.488 5.562 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 264006262 VWNXEDLLHIFAOL-ARUVXLGTSA-N 964.186 10.471 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1Cl 312625260 IAKWRKRURKBRFX-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 380013570 DYOSYFARHVMCKH-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 380022251 UIQLAALQBOPYCL-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Cc1ccc(I)cc1-n1c(CCl)nc2cc(I)ccc21 380405760 FYALWEFGLBTHGH-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Cl 380647602 YLPOEMBOFHLERW-CQSZACIVSA-N 505.834 7.450 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1sccc1I 386665117 VZROROOJBOWDFD-SNVBAGLBSA-N 522.427 6.262 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4/c(=N/C(=O)CCl)n(C)cnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616588163 XICJHXGQSVCKJN-MUFASPAKSA-N 944.587 9.402 50 10 KKGE Nc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)c([P@@]3(=O)Oc4ccccc4-c4ccccc43)c2)cc1 642813713 KPBGXIFKPCXZQR-RWYGWLOXSA-N 562.518 5.578 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Br)sc1Br 692784481 NDEJYVGFIMEFQR-VIFPVBQESA-N 521.869 6.853 50 10 KKGE BrCC(CBr)(Cc1ccncc1Br)c1cccc(Br)c1 702866038 QNNLJVCYAWQMRO-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1scc(Br)c1Br 705465024 PKWAKTYKRSIUJE-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 725406610 LQWVYIYZCAFUSG-JOCHJYFZSA-N 546.259 5.755 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 725440493 GEMSMBKVOMGTPY-UHFFFAOYSA-N 569.514 5.742 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817654 WUUPISRMPWBNRI-YXUSTYOZSA-N 744.913 6.611 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1 1083912918 CTXXVEONOMMUCU-KQWNVCNZSA-N 527.418 7.126 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1083960239 LZWPPTAMGMPGKM-UHFFFAOYSA-N 611.507 5.357 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1 1084131382 LNWVTTYOVXELJN-UHFFFAOYSA-N 580.979 8.183 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1084196017 KUUPIOLVJGLZLF-UHFFFAOYSA-N 667.818 9.518 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084484027 VCWQMDZRYYJCLR-SFQUDFHCSA-N 549.195 6.723 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1 1084496532 PGYUMGGSFDSADH-RQZCQDPDSA-N 550.667 7.842 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccc(Cl)cc1Cl 1084503369 JDVLGEMSUYBPHN-UHFFFAOYSA-N 598.515 7.826 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084510211 ZQEKHKDBFXOMQW-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2c(C)n(Cc3ccccc3)c3ccccc23)cc1 1084643342 HRTOYJONZZKGDL-UHFFFAOYSA-N 522.652 7.528 50 10 KKGE CCCCCCCOc1ccc(C(CCC)=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c(O)c1 1565517445 RSQZWZUERVHSLN-LJAQVGFWSA-N 512.694 7.368 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CCC(C)C 1772720977 YGTJBQFACLZINB-UHFFFAOYSA-N 508.416 5.203 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772747423 BMYHDTUGXCXXAB-UHFFFAOYSA-N 533.672 7.172 50 10 KKGE O=C(COc1cc(Cl)ccc1Cl)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752544 ZSLGMLPJDYPXND-UHFFFAOYSA-N 567.654 5.855 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434908 YQVJBMURKHNOBB-RMJQPPRLSA-N 649.379 6.032 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)ccc1O 1865680959 BEBGUYYNVOUMAM-MHZLTWQESA-N 522.605 5.546 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865682225 JCUMEEJNRVPUSZ-SFHVURJKSA-N 507.343 6.714 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683805 IQEOLFUSLAOJRC-QHCPKHFHSA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689264 OENXXGOJBYPXHF-HSZRJFAPSA-N 575.419 5.251 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865697025 UOOXTJMNGFXZCE-QFIPXVFZSA-N 546.977 6.399 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698909 FYIYXSFFHDITLO-SANMLTNESA-N 522.008 5.970 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cc(Br)ccc1F 1865702673 YWMZNXPKQRGRKL-OAQYLSRUSA-N 521.777 6.312 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704474 WUSOSDDHGRUIDE-PMERELPUSA-N 547.058 7.429 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704636 AOLNYDIEHAPSHZ-AREMUKBSSA-N 524.552 5.079 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712100 PPXGSFNKNSXODI-HHHXNRCGSA-N 543.539 5.590 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 1865715078 VJXCQNAFGMYKOG-JOCHJYFZSA-N 501.359 5.718 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866769817 WKHXDOSAENDGSH-URLMMPGGSA-N 573.715 5.998 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867080321 JDOLTHVAIUBWJB-AREMUKBSSA-N 559.692 5.148 50 10 KKGE CCC[C@@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867129924 YWVJJSNFAJJMPN-HRAATJIYSA-N 518.477 5.838 50 10 KKGE CCCC[C@@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867212072 MSEVWAAPLGVUPO-DHIUTWEWSA-N 516.505 6.466 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)nc(Cc3ccccc3)n2)cc1 1868207892 RPDFBPWODLFESE-RUZDIDTESA-N 558.505 6.725 50 10 KKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)n1 1868480610 QLGOUEDSFJMQDX-UHFFFAOYSA-N 563.753 5.039 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)N=c3cc(C)o[nH]3)n2)cc1 1868527909 KBLIMRZEIVFFPO-QHCPKHFHSA-N 541.637 5.185 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4cccc(CC)c4)CC3)n2)cc1 1868528534 URAZYDFBMSYCON-UHFFFAOYSA-N 551.716 7.469 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H]1C 1868545287 UQBAXDWMWYEYEE-ZRZAMGCNSA-N 544.769 6.693 50 10 KKGE CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1 1868565940 QROUPAHVKIPCAE-SANMLTNESA-N 506.679 7.494 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1ccc(I)c(Br)c1 1924054930 CITPLZBPBXAUDS-RMLUDKJBSA-N 515.414 6.295 50 10 KKGE Clc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924570094 DYNXXSYHJDLTEW-LURJTMIESA-N 520.320 7.732 50 10 KKGE Clc1ncn(-c2cc(Br)c(Br)c(Br)c2)c1CBr 2006594876 OABNSJWJBJXUBT-UHFFFAOYSA-N 508.233 5.708 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cccc2ccccc12 2053614845 MVYJROIYZHHLHW-UHFFFAOYSA-N 604.444 6.976 50 10 KKGE N#CC(=C1N[C@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc(Br)cc2)S1)c1ccccn1 2059835691 JRCQAESKBUWOKH-GGAORHGYSA-N 530.369 6.082 50 10 KKGE F[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499645 JJTGECGLBXSRTO-JGVFFNPUSA-N 586.635 7.073 50 10 KKGE Cn1ncc(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468049 GDAHZUIXJTWYBV-JTQLQIEISA-N 601.156 6.561 50 10 KKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141475117 JEPRTPBZASQQIB-BOCOKBRWSA-N 584.766 7.130 50 10 KKGE CC(C)(C)[C@H]1C[C@H](CBr)CN(c2ncc(I)cc2Br)C1 2189902674 YFEGTVLWPYZTIC-MNOVXSKESA-N 516.059 5.332 50 10 KKGE CCn1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)nc1Br 2201062445 NQUSLDOIVVYUFZ-CYBMUJFWSA-N 529.896 6.292 50 10 KKGE FC1(F)CC2(C[C@@H]2[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397608 LERFXASNWLZBLG-GCXOYZPQSA-N 558.280 7.452 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1Br 2206401003 UNBBFHIKYFRIMI-UTINFBMNSA-N 594.805 7.999 50 10 KKGE CN(C[C@@H](Br)Cc1sc(Br)c(Br)c1Br)C1CC1 2216395717 RDAQPJQSTCRAMJ-LURJTMIESA-N 510.915 5.436 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1I 2217860809 KLFBGOBRGJWLQO-CQSZACIVSA-N 500.399 6.453 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sn2)c(C)c1Br 2220144069 GAQYVPAPZKLRSH-GFCCVEGCSA-N 518.894 6.532 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1CCCCOCc1ccccc1 2225695953 JFZZJZKYBCYPTA-UHFFFAOYSA-N 500.662 6.340 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 2227355421 ZFCFVQTYNVNTPY-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE Clc1cc(Br)c([C@H](Cl)Cc2ccccc2I)c(Cl)c1Cl 2232515883 DFIMPGHFTQMFKW-SECBINFHSA-N 524.838 7.537 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2240929895 XZLRFKNMJBHKBN-SNVBAGLBSA-N 615.183 6.916 50 10 KKGE CCc1cc([C@H](Br)c2cc(C)ccc2I)sc1Br 2255977132 DGTXZPILVVMCJR-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293198345 WVIUMYYSMPDPNZ-XMMPIXPASA-N 550.453 5.373 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299527846 MHJCVFIARPFUKO-LJQANCHMSA-N 531.107 7.645 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1sc(Cl)cc1I 2301118500 AYHUXDUMCSHKLM-YFKPBYRVSA-N 575.289 5.749 50 10 KKGE ClC[C@@H](I)[C@@H](CCl)OCc1cc(I)ccc1Br 2302820302 WEYSAJNOOLNWHH-GHMZBOCLSA-N 563.826 5.220 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 2313518867 XFXOABMTIOXJDH-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1 2313557037 ROJDMIWAWGAZCN-UHFFFAOYSA-N 529.232 6.173 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 2313568202 PLRSJVUDPFPMSL-UHFFFAOYSA-N 508.603 7.008 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313571053 MEXNLWYVZOWDKQ-UHFFFAOYSA-N 638.245 7.030 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCCCn1ccnc1 2314415082 WVSVVKNYMQSRSW-UHFFFAOYSA-N 528.616 5.428 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 2314476400 NWTWZXVUYKMJET-DHIUTWEWSA-N 621.184 6.198 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314487653 GZFHQODNIFMYPB-UHFFFAOYSA-N 584.997 6.560 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594095 YZGUGUANYDKRPV-AFMDSPMNSA-N 576.516 6.151 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C(C)=C(C#N)C2=O)cc1 2314620767 URFZJFUGIATNKA-UHFFFAOYSA-N 556.666 6.308 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634768 IIHIOIKUDHYJJQ-UUWRZZSWSA-N 580.725 7.789 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314640657 IDOTXNORMKQSNI-WJOKGBTCSA-N 543.063 7.526 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643109 BQRNAJSBHQGNCC-UMSFTDKQSA-N 593.079 7.463 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)cc1Br 2315589842 SRHVRVOLXDZPOY-SNVBAGLBSA-N 501.842 5.500 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(Cl)cc2I)sc1Br 2317774419 QADIFVDAURPDGH-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE Cn1c(C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)nc2ccccc21 2331019575 AGDUINGUROBBDZ-UHFFFAOYSA-N 513.222 7.286 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 2331348633 LIJUVWLOGUNIDC-UHFFFAOYSA-N 514.832 7.359 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(C)c1C 2331362521 UQYBWSSXGCDBFE-UHFFFAOYSA-N 511.559 5.775 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331403917 SURBYBAAURYHAB-UHFFFAOYSA-N 518.551 5.213 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331429438 XAIYGPMUZQATHT-UHFFFAOYSA-N 500.667 8.949 50 10 KKGE BrCC(CBr)(Cc1sccc1I)C1CCCCCC1 2338749357 IZCMCCXDRQQOEJ-UHFFFAOYSA-N 520.112 6.642 50 10 KKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368517389 XXPNUPZPRYPAFX-ZUVKVVCWSA-N 596.777 7.130 50 10 KKGE Fc1ccc([C@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377595943 RJATWAZYUVMZNY-HNNXBMFYSA-N 560.970 5.886 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 15401597 PQLKRBAXSRCYCE-GPSDDGMOSA-N 518.982 5.622 50 10 KKGE COc1ccc2cc(/C(C)=N\NC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)ccc2c1 33863555 NCDPDDCDHQFCAB-XSVYLIDLSA-N 500.598 7.248 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38660299 SQUXUCSRIWZVOM-MHZLTWQESA-N 518.997 6.355 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684492 RKWFVRJVXNTTOZ-OLILMLBXSA-N 512.606 6.190 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 38685234 VZMOIPGOSFZZOO-WRONEBCDSA-N 512.606 6.019 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(F)c1 38700474 LAVXKNXLBSDPFO-OAQYLSRUSA-N 511.361 6.785 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c(C)c1 40823199 RDZYKZCMFHURJW-XAZZYMPDSA-N 507.406 5.447 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 40926807 CLQQHNBTPCNCMJ-TXUBRVAFSA-N 528.605 6.089 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100185697 ZIUDKTRORUVCTE-AWEZNQCLSA-N 532.262 5.944 50 10 KKGE COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 100918976 IKZVEZNFENVAFC-RJEOKFDTSA-N 551.879 6.824 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NC[C@@H]1CCCO1 101012378 MQJNUEYDZMZXGP-DQDCZBLPSA-N 539.035 5.974 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245558 SYJRRQOLQMNCNE-SJCFVWOQSA-N 550.511 7.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 101368022 BCWLRZQDAAEKDI-HHHXNRCGSA-N 529.549 5.610 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101370717 SGXKFHBAORMYOC-MUUNZHRXSA-N 534.996 5.648 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCC(C)C 101374387 CODWLSMUHWLSEV-WJOKGBTCSA-N 542.632 6.056 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376064 ZDVYWDDQEILSDZ-NDEPHWFRSA-N 563.448 6.077 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1 101377838 ARTRXUFHXIZMJK-FMCWMYDGSA-N 538.644 6.881 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379204 DVRSXVUXMXWYRU-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379476 HZIUXMNAWTYTMT-WJOKGBTCSA-N 565.069 7.654 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384030 OHLXEAOQONVYTO-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384777 FMMDCCHPTFNAML-PMERELPUSA-N 607.877 7.428 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 101397219 CPTKWKSHBFNZCX-PMERELPUSA-N 554.618 7.667 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)oc2c1 101398930 MNHXGFQRNZDITN-JGCGQSQUSA-N 625.508 8.681 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Br)cc2)cc1 103741598 CMSCCVIJNXGPJY-BSSRNLCFSA-N 532.463 6.131 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 103879092 WYXGXEFCGWGARN-BKATUZMVSA-N 596.706 8.342 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc(Br)c1 104988963 DHXIHRAOAJDCAD-QOMWVZHYSA-N 531.179 5.032 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431685 BDDSWOBJLWFLPX-JGCGQSQUSA-N 635.475 7.313 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2cc1Cl 150482549 QPPHRFWSDGPRIB-HKBQPEDESA-N 645.926 9.026 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214334886 LBPRXVIDFOVPIH-XYZKMYPFSA-N 528.612 6.210 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 234863428 AUABZYJYKIXHKB-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1OC 252624144 PHKNAIRUUJPWHX-UHFFFAOYSA-N 659.772 6.364 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254669488 SFSWAIPDSQFIOP-UHFFFAOYSA-N 557.735 7.326 50 10 KKGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 254751104 JJHWPHNDNVHKAR-UHFFFAOYSA-N 529.462 5.070 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 256018200 LFXCFAPGCCUHFH-XKAZDTCBSA-N 570.447 7.489 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCc1ccccc1)CC[C@H]1[C@H](O[Si](CC)(CC)CC)C[C@H](O[Si](CC)(CC)CC)[C@@H]1C/C=C\CCCC(=O)OC(C)C 575418191 BDKOEHDXBRAVIY-AIWTWYNRSA-N 775.393 13.275 50 10 KKGE in-vitro CC(C)[Si](OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588197 LAVSLNMQPNHPSL-BALJOQLGSA-N 697.001 9.876 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591076 WUUPISRMPWBNRI-BNGVVZDHSA-N 744.913 6.611 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCCO3)cc1 642813770 VCFCNDDCSXWQKZ-UHFFFAOYSA-N 650.739 8.592 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 725402381 CIYGHFARJXCXKK-UHFFFAOYSA-N 650.599 5.199 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1Cl 1083952119 YUYNAGRSCQJVER-MHZLTWQESA-N 541.475 6.664 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 1083986044 YXHIMNUWHWWUHU-UHFFFAOYSA-N 620.775 6.879 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084136783 ZDGIPDAIZPSHPI-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1084142643 RIPNFMFQLLWFCV-UHFFFAOYSA-N 547.615 6.541 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1Br 1084210048 UHTKMSKJJNNPKR-UHFFFAOYSA-N 643.991 6.173 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 1084242472 AGAUDZBCUFAPRF-UHFFFAOYSA-N 606.148 5.090 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1 1084450393 RVJNFQMZMYAGEC-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c(Cl)c1 1084470691 SEGIDXANSQDREC-UHFFFAOYSA-N 603.553 9.290 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1 1084587460 UWXTYICATCHUSQ-UHFFFAOYSA-N 502.083 7.421 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1C 1084594361 ACULORZERGXIKD-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084626653 DRVQDNQWCDANKV-UHFFFAOYSA-N 618.948 8.764 50 10 KKGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1OCC 1614628260 XHZXZYUPYROOAX-VQTJNVASSA-N 509.384 5.271 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743815 LIJINNVFGBDYBB-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745736 FXJFFHTWZHNZRP-UHFFFAOYSA-N 517.383 5.621 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746080 BLXUQPCZWFPLBV-UHFFFAOYSA-N 542.433 6.740 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccccc1Cl 1772755401 FMBFKVNSQMGFGH-UHFFFAOYSA-N 545.861 6.308 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1O 1865696848 RVAWOKHQEFVECA-INIZCTEOSA-N 555.738 5.298 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701016 JSQBRODHRSOLRL-HSZRJFAPSA-N 549.414 6.090 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703432 VQRUALJFUBPUQX-PMERELPUSA-N 569.105 7.042 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866967135 ABLADSCTDIDFFF-KAYWLYCHSA-N 533.625 5.430 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973533 LFIYNFJCCXUSFY-CLJLJLNGSA-N 582.589 6.819 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 1872756059 BUIJSNCCLFKBRA-ATJXCDBQSA-N 513.059 7.430 50 10 KKGE Clc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1I 1900405133 PTZDIEHBLOPEQB-IBGZPJMESA-N 504.637 6.120 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915130342 JVFGOYOMVSEXIF-ZDUSSCGKSA-N 504.060 6.028 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccoc1Br 1923071290 IDQOAOUKMACYDG-RXMQYKEDSA-N 514.258 6.766 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C(C2CC2)C2CC2)c1Br 1924583449 KEXJSYGPDQERAR-VIFPVBQESA-N 507.911 6.908 50 10 KKGE CCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924584285 VZQUBVYKXRERTE-QMMMGPOBSA-N 511.943 7.832 50 10 KKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)s2)ccc1I 2026132034 COMIEWWTXNAQNE-NSHDSACASA-N 506.428 6.514 50 10 KKGE FCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085494093 KBPAKOIBWBFSGN-NSHDSACASA-N 572.730 7.312 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1I 2086021804 BVCRBZZUESDMIU-JTQLQIEISA-N 585.324 7.277 50 10 KKGE Clc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141477634 SKQRDUVCWZYWPX-ZDUSSCGKSA-N 552.713 7.718 50 10 KKGE Fc1cc([C@H](Cl)c2ccc(Br)cc2I)c(F)cc1Br 2142290219 ZKSUQBFMNVJIDS-CYBMUJFWSA-N 522.352 6.423 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1CC2(C1)CC1(CCC1)C2 2157156294 LNNAKARUQQWORC-JTQLQIEISA-N 503.525 7.723 50 10 KKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170610702 WHWYRMAPSBNSTB-FZMZJTMJSA-N 515.027 5.222 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)ccc1Br 2192153407 VMPJKIZDSXVGNG-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1I 2201620048 XECLTVWHIFOSPM-LLVKDONJSA-N 536.379 6.778 50 10 KKGE CC1(C)CCCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397734 MGNKTVIZZKSPBI-UFBFGSQYSA-N 596.821 8.389 50 10 KKGE C[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2214911486 VVJOWULDWNOLJD-OXOINMOOSA-N 554.740 7.219 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2234064854 HBRLVQGTMMYXRG-UHFFFAOYSA-N 508.645 5.636 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2264372891 GOGNDPZPRNZKDX-JTQLQIEISA-N 509.872 7.073 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2c(F)cccc2I)c1Br 2267663294 MVUZWRZYDWSCIX-CQSZACIVSA-N 518.389 6.592 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(Br)c1Cl 2268254503 BAABNOGGFMMGIK-SECBINFHSA-N 509.872 7.073 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2272726561 PJVPFILSNCYUSY-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)c(Br)c1Cl 2283563911 PFHLPBDFYJNLAM-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198180 FXZQDSNSAJZSRG-XMMPIXPASA-N 522.457 5.779 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)c1 2294954003 ZYPGXWAYXGZBBV-UHFFFAOYSA-N 507.384 5.981 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 2295483050 VIHWLWTWOZVUHE-UHFFFAOYSA-N 656.489 5.717 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 2295672289 JHIHDCXNGMTXPV-UHFFFAOYSA-N 541.405 5.313 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)c(Br)c(Br)c1O 2297321726 SZZQZTKMHLNSRK-UHFFFAOYSA-N 593.297 5.299 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(COc3cc(C)c(Cl)c(C)c3)c2)cc1 2297412367 PFFNYERDDKHQAG-UHFFFAOYSA-N 598.099 6.474 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccccc2Cl)[C@H]1c1ccccc1Cl 2297504869 GLDDDOXZJFHTAG-MHZLTWQESA-N 500.429 6.655 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450488 ZVYIHMXEEIJYPF-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592398 SLPTVMGUZZMPNT-RUZDIDTESA-N 562.489 6.140 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314610560 JJKXZEFDDPZFPB-UHFFFAOYSA-N 500.558 5.340 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314616599 FMPOOLQKUDVZKE-UHFFFAOYSA-N 532.531 5.200 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314617785 ARSDNKZMXVJJFE-UHFFFAOYSA-N 518.617 5.726 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314617869 CENCOANAVBKBAA-UHFFFAOYSA-N 511.541 5.473 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 2314646586 DJXNJRWTMFXBPZ-NDEPHWFRSA-N 680.758 5.783 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sccc1I 2317418356 PAHYZLNOCKOYGC-JTQLQIEISA-N 568.869 6.810 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)c1Br 2362253176 HWTZSPLQDNCOKC-NSHDSACASA-N 615.154 8.013 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14033080 OAXRZEQVELPKPK-UHFFFAOYSA-N 505.640 5.027 50 10 KKGE CCOC(=O)/C(C#N)=C/C=C(/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 34690892 MMJSWHVYSWNVOO-PZLJUMJASA-N 508.641 7.495 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 38658565 QPXZMTPQMZBAPN-AREMUKBSSA-N 520.969 5.177 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCCCC)cc3)ccc21 38686118 NBSJVDYKQTUVDW-PMERELPUSA-N 526.633 6.872 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c(OC)c1 40826696 XEONYZPODJYLQE-AWSUPERCSA-N 529.593 5.620 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1 59304156 OUJLZWGJHQHBIC-WKULSOCRSA-N 507.359 6.406 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 98064671 CEKAVJKMBDFHIL-PLTPHKKDSA-N 513.233 5.302 50 10 KKGE N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100057193 RALYAUMZKVIVNF-LGMDPLHJSA-N 500.377 6.809 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 100237129 FUGLQETYZMYTSP-RQUFEXHESA-N 561.078 6.834 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1 100360577 WANBPZRTGMWAAO-WOJGMQOQSA-N 574.802 6.086 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101307068 TWHJDEDZKHYUIC-UAXHHORHSA-N 549.410 6.404 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101307479 MCLJVLZKCQVZQC-LJAQVGFWSA-N 536.584 6.369 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C2=O)cc1 101339896 VOHJAHVQDROHSJ-FDAWAROLSA-N 572.665 6.375 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 101340449 WPLYRJRXZGCOAX-AFUMVMLFSA-N 536.538 5.619 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1Cl 101366549 CZVYYRGJGLUWJG-DEOSSOPVSA-N 541.387 5.847 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101367670 FLMJMWFGBFXODY-LVPXNJDFSA-N 531.008 6.364 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101375686 ORLCHIFHPDWQOU-AREMUKBSSA-N 535.394 5.440 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380885 ROSBJKAIMOBCMG-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101381023 DTCQKKVDVNWWLD-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381044 FHWKLLIAMUHTFW-DHUJRADRSA-N 582.631 7.360 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381080 UNHXUKCHTSJWPK-WJOKGBTCSA-N 599.514 8.307 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(C(C)C)cc5)ccc43)c2)cc1 101382451 GYDZFBHQLDTOJM-YUYWZBKDSA-N 574.677 7.289 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385735 QHBQDTLKXHEAOD-HKBQPEDESA-N 603.458 6.784 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1Cl 101393604 BYLUETJQVRMBCM-VWLOTQADSA-N 618.311 7.381 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101394642 WMZVLIMJYDMBBZ-QHCPKHFHSA-N 585.896 8.088 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601954 AELIIZHJPBTGBD-OGLMXYFKSA-N 535.771 6.179 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 101712218 UWFFORSSLBSWIP-QXUDOOCXSA-N 543.063 6.783 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl 102933129 XWRWRICVDPKDLJ-PXNMLYILSA-N 577.218 6.797 50 10 KKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 104769453 NIDUXXPARXRBBS-ZCTHSVRISA-N 546.096 5.724 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 105020797 RNVGFHOFGOLOFW-MKFPQRGTSA-N 570.472 5.638 50 10 KKGE Cc1cccc(C(=O)[C@@H](Br)[C@@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)c1 105419010 QEXUXKWTVFNMTJ-RTWAWAEBSA-N 526.224 5.938 50 10 KKGE C=C/C(=C/C=C(\Cl)CCl)NC(=O)NCc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 108687333 XNFFAKRHSJYNOJ-XQOBZHGLSA-N 528.267 6.546 50 10 KKGE Cc1ccc(NC(=O)/C(NC(=O)c2ccccc2)=C(/c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 109909065 SIGOBBBGHRSPTC-YMZYAJTMSA-O 617.709 7.726 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 150482768 VOHASDSHTJWRMK-MHZLTWQESA-N 651.930 9.017 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 161124262 KQTPEZMYVBLTPE-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cc1ccc(P(c2ccccc2)c2ccc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 196293658 LSVBESLEUZSATJ-UHFFFAOYSA-N 726.382 9.466 50 10 KKGE CC(C)OC(=O)CCC[C@H](O)C#C/C=C/C=C/[C@@H](CC#C[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 199327981 GJXVVOTUSRKIPM-VPJAKKSMSA-N 614.975 6.801 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 205651795 TVNRZGADJQZXSH-VKUZRJLXSA-N 500.554 6.624 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214427269 NAVQOLVEHFKASD-PKAZHMFMSA-N 552.631 5.180 50 10 KKGE Clc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1 236045905 DXRDVQAURXODCG-CQSZACIVSA-N 500.399 6.386 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(I)c1 236208237 RAWIXLVFQAXHCO-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1cccc(Br)c1 252622669 OADFQISZUHRCSX-UHFFFAOYSA-N 518.323 5.494 50 10 KKGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4F)c3C)cc2)CC1 254293601 YDQBZQLAOOODEO-UHFFFAOYSA-N 539.655 5.328 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)c2=O)=C(C#N)[C@@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 254843414 RYCHZRJRQYBFLB-XHAAKHLHSA-N 783.018 7.168 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256018996 FJHQZJIDQBXWEZ-DSTYPKCFSA-N 623.382 5.848 50 10 KKGE C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019044 HQTPQCQTDUHGQA-CPLLPBMOSA-N 552.120 6.179 50 10 KKGE COc1ccc(C(OC[C@H]2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 299804393 URLPBMMJULLWTE-ZEGDCKMFSA-N 750.990 9.463 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1I)OCCO2 388580963 JJRGUHTUASAFRR-GFCCVEGCSA-N 515.992 5.371 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(=O)OC 605696852 SXMBWQVJAZZKQP-DQKQVHDDSA-N 530.866 8.136 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616588781 UZVSHRLVIXPYEZ-NPTBQESHSA-N 861.062 8.924 50 10 KKGE Fc1ccc(Oc2c(I)cc(Cl)cc2I)c(CBr)c1Cl 705720812 NMEUEPHRBISMOK-UHFFFAOYSA-N 601.806 7.029 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 725418711 ULOVIPPRMBWXSO-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1 1083990546 DKTSEPRDIWQAHI-UHFFFAOYSA-N 518.194 6.845 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084041481 JACLCBYUUSHVIO-DEOSSOPVSA-N 531.436 5.944 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12 1084074423 PSAMEUQIYOINOO-LPYMAVHISA-N 544.405 5.473 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)cc1 1084278438 VFHUSKQMMDPFIO-UHFFFAOYSA-N 514.651 5.133 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084349826 AUOOIVGVJUACGI-UHFFFAOYSA-N 656.986 6.344 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084658084 BPDZBXYLSWVGSF-UHFFFAOYSA-N 608.116 5.590 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653278 KZCBOJSIRFMIRF-QFNYJIRUSA-N 562.489 5.761 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682170 HUHYZISNESEREW-AREMUKBSSA-N 506.606 6.072 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688652 XYWNPDHZGGZNNX-HKBQPEDESA-N 548.687 6.349 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OCC 1865691300 PAMJKCDJTBPGBD-HKBQPEDESA-N 572.665 7.107 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691638 XDNRHLPGXKNDIB-HHHXNRCGSA-N 575.496 7.311 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865694580 ZQDLPNLDZLVGLJ-GOSISDBHSA-N 504.896 5.229 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OC(C)C 1865696549 HFXFUASVBCJUHG-QFIPXVFZSA-N 512.532 5.581 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696880 SVUNHGAMDFVIEY-JOCHJYFZSA-N 545.393 5.243 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865702939 IRYDIDLNKNRRDA-HXUWFJFHSA-N 502.924 6.008 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705294 QQYHUYHXHQDUIR-AREMUKBSSA-N 511.541 5.372 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865710622 CRQDQNDVWOUTIS-AREMUKBSSA-N 508.578 5.151 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711890 KVUWTGDUDQOHOT-JGCGQSQUSA-N 569.665 6.596 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 1865713971 ABOUWGPLYJGFNG-OAHLLOKOSA-N 540.137 5.634 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3ccc(C)cc3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866652830 MWUZUTULXSSHOE-MUUNZHRXSA-N 568.655 5.366 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)Cc2c(-c3ccc(F)cc3)[nH]c3ccc(Cl)cc23)c2ccccc2)cc1 1866933006 WSPSDXIANREBOY-SSEXGKCCSA-N 569.061 7.239 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1OC 1868564805 FHDMPKCPWKHHCJ-VWNXMTODSA-N 540.649 5.575 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)CC2 1868566381 ZGJCJRPOPRZOEC-LJAQVGFWSA-N 538.677 6.632 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1Cl 1872793820 UUOXHXJPKLEIJI-RGVLZGJSSA-N 519.022 7.132 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(Br)c1O 1872794501 FSPJXDDDNJTPOH-KGVSQERTSA-N 512.212 6.666 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)n1 1923040333 UMNPXDYWQZKQCE-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc(I)c1 1923050236 RRPFUFPYZKLXNC-QMMMGPOBSA-N 571.297 7.015 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)o1 1924579291 CRUZNIZWTUDMDG-LURJTMIESA-N 514.258 6.766 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924590058 HMJIHAYEWAQZDT-MRVPVSSYSA-N 538.324 7.482 50 10 KKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924608063 CRGSEFKUXPYZMU-SSDOTTSWSA-N 560.277 7.452 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(I)sn2)c1 1983286647 SCHLETYYZZJGMN-SNVBAGLBSA-N 537.840 5.757 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCC2)c1Br 2022288309 CNZKAWSULQMYFN-BKPPORCPSA-N 507.911 6.908 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(I)cc2)c(Br)c1 2024293419 GZJVSIGFKWLSGD-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE C[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495053 OYMDMLFQJKXHFK-XBZVRZDZSA-N 570.739 6.598 50 10 KKGE Cl[C@H](C[C@@H]1CC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2086422855 YMDUOYRBMUMALM-HZGVNTEJSA-N 522.300 7.207 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094674139 ROSRXXQWVBWXEK-ZDUSSCGKSA-N 576.917 7.239 50 10 KKGE Cn1cnc2sc([C@@H](Br)c3c(Br)sc(Br)c3Cl)cc21 2118609418 PRVZHPQQZYFPGO-SSDOTTSWSA-N 505.482 6.359 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCCC2)c1Br 2135274960 ZSFRQCWZBSASCV-ATZCPNFKSA-N 535.965 7.688 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2141475596 PJVOUFMAVMIZIZ-GBRJYTSESA-N 582.750 6.742 50 10 KKGE Fc1cc(Oc2c(CBr)ccc(Br)c2Cl)c(Br)cc1Cl 2154376709 XQHZBJQLBBINQL-UHFFFAOYSA-N 507.806 7.345 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2sc(Cl)cc2Br)ccc1Br 2154476298 VLJBMFVLTXCXNI-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(I)ccc1F 2169665355 XRKIEYFMIGWPCR-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCOC2)C1 2206397129 FJKZIWSCLHAZMU-OFBKNLNESA-N 552.326 6.833 50 10 KKGE Cc1cc(F)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398102 QUFDPRRCRXKHKS-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206399826 LXUJYSWDQCABTP-LLVKDONJSA-N 631.609 8.528 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2237457883 LDJCECOCEIYGGL-CYBMUJFWSA-N 546.322 7.615 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2I)c(C)c1Br 2282887125 CHROXKFOYCQELC-HNNXBMFYSA-N 576.867 7.056 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2ccc(Cl)cc2)cc1 2294217749 GAIDFLGXXYNELR-UHFFFAOYSA-N 519.989 5.016 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(C)cc1 2294619883 HLNMLTAWZXXVGE-UHFFFAOYSA-N 556.254 6.653 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)c(OC)c1 2294904931 KZYWZVQCXFBPGG-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE CCc1c(C)sc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)c1C#N 2295669878 DMQNUQPBUBHKQV-UHFFFAOYSA-N 507.619 5.957 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2296545416 PHOGFZNBJKCKON-UHFFFAOYSA-N 558.642 5.672 50 10 KKGE C[C@@]12CC[C@H]3c4ccc(B(O)O)cc4C[C@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@H]1CC[C@H]2O 2296553633 FIAYIYKWRBIBQG-BXCHNDQWSA-N 634.601 6.657 50 10 KKGE Clc1c(Br)csc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299499368 YVGHYJWCNPLXTG-MRXNPFEDSA-N 507.074 7.834 50 10 KKGE Clc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2299504425 NBVMCHNJCMOOEK-INIZCTEOSA-N 507.074 7.881 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1sccc1I 2300647618 YVGBZWVYLKTYNV-NSHDSACASA-N 506.066 6.614 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12 2313511253 WHWFCPLMRDNRSM-UHFFFAOYSA-N 574.418 6.886 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521512 TUIWTNVATUQKJC-UHFFFAOYSA-N 569.355 5.010 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570802 GORPQQGFUHIRML-UHFFFAOYSA-N 515.227 7.849 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570929 JJNDEFSCNGBONF-UHFFFAOYSA-N 618.085 8.029 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313676647 OEEDFWIHGLTHFM-UHFFFAOYSA-N 502.741 6.680 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 2313730217 GVUPTFCKLHUDRR-UHFFFAOYSA-N 508.933 5.409 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593427 MUIIKVJLPHCAPR-XHCCPWGMSA-N 564.538 7.420 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C(C)=C(C#N)C2=O)cc1OC 2314617192 SKMSSKKEPOESMT-UHFFFAOYSA-N 664.762 7.279 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314617273 VDMCLHLALHGTRJ-FQEVSTJZSA-N 570.605 5.384 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 2314618701 SAEGYCRQAUVPMQ-UHFFFAOYSA-N 538.648 5.655 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 2314620188 LVXLQQUHVFGSOC-UHFFFAOYSA-N 576.628 5.921 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643323 QFOXYZYPAUJULP-PSXMRANNSA-N 635.160 8.452 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(I)c1 2317397128 ZCYCURLVFGCPPL-SNVBAGLBSA-N 568.869 6.810 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331254770 YKLITGSQZJCPTD-YEJXKQKISA-N 512.418 6.620 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2331473103 FLWPBYMHJPNWTL-UHFFFAOYSA-N 501.402 6.061 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336044574 PBCRMAPCEDKUPM-FQEVSTJZSA-N 515.072 8.014 50 10 KKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336046316 CPILYMSYASFCAO-SFHVURJKSA-N 515.072 8.014 50 10 KKGE CC(C)(C)[C@@](C)(CBr)COc1c(I)cc(Cl)cc1I 2352104033 LMTPPFCIUXWMMR-AWEZNQCLSA-N 571.462 6.375 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1Cl 2364050436 GLGAZNLHKGUADY-QMMMGPOBSA-N 552.286 5.854 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)c(Br)c1 2365183708 AAOXLCOMJOXBFK-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2369221726 QNJXMKSZRPMODP-GIHMMQTOSA-N 552.370 8.089 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 38650934 DJQOPLBWNQPCNV-HKBQPEDESA-N 518.569 5.777 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811814 OZHJPQCDOTUEGI-VUTHCHCSSA-N 518.367 5.588 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c(OC)c1 40822692 VCEFYUKUWCUBQU-INKHBPHZSA-N 523.589 5.995 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O 40924715 HSMYLDUMQIUHHR-GZIVZEMBSA-N 512.838 5.183 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100236966 DULDJSJZTIJYNY-CVEARBPZSA-N 578.301 5.872 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 100870071 HXXJWELSCJXPIS-GDWJVWIDSA-N 541.490 5.105 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034237 OLUHVYIDXJOYIN-RIYZIHGNSA-N 525.800 8.201 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246651 RLMWLVVADHOSPD-NFHYYMBESA-N 554.455 6.076 50 10 KKGE COc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101338817 QJDJRMZWMIUQJA-SRZZPIQSSA-N 511.405 6.116 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1 101367301 ONUNOIRJXFKAQW-HKBQPEDESA-N 579.565 5.385 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101374517 PAENIRUTMTYOIA-JLBZDQGGSA-N 593.507 7.798 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccccc5F)ccc43)cc2)cc1 101378723 PFQMXHWISLWPEC-ROTAYESASA-N 550.586 6.304 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388530 LLQPDHKHUYPSHZ-PMQXFMBFSA-N 609.078 7.163 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 103742951 INQGJGJCXCAXIJ-XCQFTPQJSA-N 542.875 7.020 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2 103877270 SRXQNIKBYLUGAQ-XODNFHPESA-N 584.366 5.508 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1 103878116 NGSKKCFTEJHQDZ-KPGMTVGESA-N 577.862 7.744 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 150431805 JVADWJZFZZLSPL-PEHSQKLVSA-N 647.466 5.540 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150485633 CMNJMIXVMVYNSG-NRFANRHFSA-N 642.750 8.335 50 10 KKGE Brc1cccc2c([C@@H](Br)c3ccccc3I)csc12 163388322 MTWNZVPKHZXUCU-AWEZNQCLSA-N 508.016 6.753 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214284641 SKWGSYQPGUSPPR-QQXSKIMKSA-N 524.621 5.121 50 10 KKGE CC(C)(C)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c1 230588274 GNUDQHDRMQWWBV-MHZLTWQESA-N 582.107 10.043 50 10 KKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)c(C)cc1Br 235882095 ZUWUZAMYYYQDDB-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(CSCc4ccco4)c3)c3ccccc3n2)c1 252633142 WAGGFBVWXATTBD-UHFFFAOYSA-N 551.668 7.099 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)OCOC 253387343 CNYVTLHDXDAIRZ-SRFMFJSSSA-N 570.975 10.414 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2OCC)cc1 254701298 SZQZDYUKJJTGDM-UHFFFAOYSA-N 526.589 5.776 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254763993 OTEIJZDXZOISHP-UHFFFAOYSA-N 627.855 7.783 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(I)cc2)c1Br 302593651 HFOKFCDZHUCUFP-VIFPVBQESA-N 525.953 6.618 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)sc2Br)c(C)c1Br 305986547 IRGWKNQWYSVJDK-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 575229188 VLGQRMASAAPPOT-ZKURMJKESA-N 889.042 8.459 50 10 KKGE in-vitro Brc1ccc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c1 721600316 AABPDWWIMSPKQZ-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1 725400077 LNQFUYNEYUCSKD-VWLOTQADSA-N 602.469 5.550 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(=O)C(C)(C)C 1083816848 YXADDVIQROVGOJ-MHMIHQHRSA-N 630.892 6.196 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817715 YXADDVIQROVGOJ-IACLWVNRSA-N 630.892 6.196 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 1084264514 FIYVAFGKWGUWDN-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084366053 AECDWMYSQXWFSJ-LICLKQGHSA-N 546.794 7.078 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084481988 IQYDQZMRDNBREC-UHFFFAOYSA-N 663.399 8.874 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1 1084632512 PIFRKIULVHNEKL-VVUVKIRBSA-N 529.640 5.972 50 10 KKGE Cc1c(C)c(C)c(CSCC(=O)NNC(=S)Nc2cc(Cl)c(Cl)cc2Cl)c(C)c1C 1088697416 IKRXIUTZRFBGGG-UHFFFAOYSA-N 504.936 6.440 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc6ccccc56)c(C)c43)coc2c1C 1772752044 SIRSJPQKJBCQIA-UHFFFAOYSA-N 519.601 6.756 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1772755332 BDSGGAHZRNFAJB-UHFFFAOYSA-N 517.508 7.015 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 1848665558 ZODHPXNJFNZLJV-FAXPPKOWSA-N 597.722 9.946 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689007 HLKUYMRDNGZASO-SANMLTNESA-N 561.469 7.073 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695154 LKVRNPRDWQDGJT-GDLZYMKVSA-N 550.659 6.329 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OC 1865696036 WMGDGUQNECKASU-RUZDIDTESA-N 528.996 5.827 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865697285 ZEHAIGHOXZPBLT-YTTGMZPUSA-N 570.693 7.878 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865704868 GOWDINSGLFEIGX-HSZRJFAPSA-N 547.398 5.840 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705898 IXSHDTDDVWEENO-JOCHJYFZSA-N 534.359 5.981 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865709089 NKTQZCCXWGVBHI-SANMLTNESA-N 520.589 5.229 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709582 XZWXZJCPXANTIX-JOCHJYFZSA-N 533.371 5.771 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2c(-c3ccc(F)cc3)[nH]c3ccc(Cl)cc23)cc1 1866933573 KGFGXBWJPYSRQM-GDLZYMKVSA-N 583.088 7.109 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747780 TWXYBOUPUZINSO-LAGVDGIJSA-N 505.621 5.419 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 1872758839 SPEQAHHUGWFEEH-NFFVHWSESA-N 500.620 7.499 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c1 1872792747 PKRWOHPRLPGNSS-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE Clc1ccc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c(I)c1 1901945935 GUGJNRZSUXITLH-IBGZPJMESA-N 504.637 6.120 50 10 KKGE FC1(F)CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583256 HXIHKRYSNYBZSP-XINAWCOVSA-N 517.853 6.907 50 10 KKGE C[C@@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(Oc5ccc(C(C)(C)C)cc5)c([N+](=O)[O-])c4)nc(O)c23)C1 2053574526 IUFZVVGUPMEKRF-QGZVFWFLSA-N 540.645 7.584 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)c(Cl)c(CBr)c1)Cc1ccccc1 2059314432 KYMOHESUDVYEFR-UHFFFAOYSA-N 539.898 5.697 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(C)c2C)c1I 2082883623 HCOCZYACAVYAFK-LBPRGKRZSA-N 500.037 6.525 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2083333367 GNXVGNHWKKPGTA-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(C)c2)cc1Br 2142140648 LQNMKNFTGSFNAQ-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2142287619 FBANKYDBWGUKQX-CQSZACIVSA-N 516.398 6.153 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397191 GLNMYOYXZHKGRR-LTXJIUSPSA-N 564.259 7.605 50 10 KKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273901 XVFTXHCNRWSCIF-JQWIXIFHSA-N 515.027 5.222 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1scc(Br)c1Br 2218597254 KSZWECNFHYRBFI-SECBINFHSA-N 586.738 7.422 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Cl)c(C)c1Br 2235603067 GWXYZVZOULGGCM-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(Br)ccc1Cl 2245931507 XWYIZXQOFPOGND-INIZCTEOSA-N 518.617 5.338 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1I 2269556432 OTFNVJZWALEQHD-AWEZNQCLSA-N 607.849 6.151 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198278 PTCLYKAUSAJNQG-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 2294193043 KFDJPZXGDQBOPZ-UHFFFAOYSA-N 528.055 8.573 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@@H](C)C2 2296500533 WDQNSGVFEHEUOF-CQSZACIVSA-N 529.445 7.162 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2299500600 HFTDRTXRSDDPIG-MHZLTWQESA-N 538.279 8.091 50 10 KKGE Cn1nc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2299535774 SHRZPUYHIVIKDF-OAHLLOKOSA-N 516.031 5.403 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccccc1Cl 2313521427 NOSLINWROJNANV-UHFFFAOYSA-N 501.751 6.596 50 10 KKGE O=C(C=Cc1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl 2313530130 JEQQRZSUCLQMDO-UHFFFAOYSA-N 518.194 6.139 50 10 KKGE COc1cccc2c(C=C(C#N)C(=O)Nc3ccc(I)cc3)c(-c3ccccc3)[nH]c12 2313553050 AMHSQZMLQVDNNT-UHFFFAOYSA-N 519.342 5.994 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(I)cc1 2313567692 MNNRARXDKNKBLV-UHFFFAOYSA-N 619.503 5.863 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1 2313570582 AHRJDGDGLAKFFL-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314619885 GRAVRJLMOYVSDW-UHFFFAOYSA-N 546.646 6.272 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(I)sn2)c1Br 2315448316 YVZQVBUDSZNHKG-QMMMGPOBSA-N 590.275 6.550 50 10 KKGE COc1ccc([C@H](Br)c2csc(C)c2Br)cc1I 2320492333 WOGRQNXMICDFKY-ZDUSSCGKSA-N 502.009 5.917 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2328796833 VNGTXWNLGINRID-VWLOTQADSA-N 508.018 5.505 50 10 KKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Br 2336043072 CKHXIDXOICYFEG-FQEVSTJZSA-N 502.580 7.397 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336044816 QTRLAJIKOLHJDE-OAQYLSRUSA-N 515.072 8.128 50 10 KKGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1c(Cl)cc(Br)cc1Cl 2343797081 FZMXTVBRLYKHJE-CQSZACIVSA-N 501.657 5.249 50 10 KKGE CC(C)(C[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2362224748 RVOQMKOOVNFKJQ-ZCFIWIBFSA-N 505.369 7.419 50 10 KKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(I)c1 2364267206 HIEOTFCZAASNSW-GCUJQHFUSA-N 514.039 6.165 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790706 DLUMBUQEOAESBY-SCIJIFGBSA-N 512.393 6.197 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1888956 QWDLRHHCGAMRSQ-ABPPERTMSA-N 540.447 5.918 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1Cn1nc(C)c(Br)c1C 2945996 URYNWUQLHGNHAF-IDUTXGBLSA-N 533.854 5.199 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 20616166 RYCIGFYGOJIBPF-AASYHSMQSA-N 508.018 5.249 50 10 KKGE CCCCCCOc1ccc(/C=C(C#N)\C(O)=N\c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 33378019 GQUQZEABJYURHS-JWGURIENSA-N 505.640 7.372 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 34779969 JXAYXLLVIMZVJC-MFOYZWKCSA-N 517.796 6.876 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)c1 38659914 HYXXQQIAJNIATC-MHZLTWQESA-N 500.551 5.320 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)ccc1OC 38659967 CPSXBYDTNVEKKI-MHZLTWQESA-N 500.551 5.320 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659368 IBKDYWWHZXMKEL-UHFFFAOYSA-N 508.460 5.422 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812579 QGUBEYDHGDZPQJ-FEZSWGLMSA-N 513.981 6.756 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 50568346 MMKDBPICMFRDIQ-ATVHPVEESA-N 507.377 6.350 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 58893269 RVMLSHFMPKYZAX-CMKSJBIWSA-N 502.611 5.365 50 10 KKGE CCCC[C@H](CC)c1nc2n(n1)C(=O)C(C#N)=C(C)/C2=N\c1sc(N(CCCC)CCCC)nc1-c1ccccc1 59143069 XZHRTVHHNREFPD-QEMSNLINSA-N 571.795 8.107 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100192387 MPBQNZAZWSMIAW-UHFFFAOYSA-N 542.268 5.210 50 10 KKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100206517 PPTJZFUNNQNEEH-HNNXBMFYSA-N 578.301 5.656 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 100235932 FTZBWSADTREOJP-BCWDXYJZSA-N 555.425 5.119 50 10 KKGE CC[C@@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935290 JRPIGDSZZWVEGS-FCLUMBPUSA-N 500.113 5.463 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246777 OWOAUUKWRUPDNB-KVILUOORSA-N 567.589 6.178 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 101339235 OFJGDOQHNOUNMI-VUTHCHCSSA-N 588.664 5.709 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101372492 ZVVZPCNBJNIFBS-XMMPIXPASA-N 523.408 5.374 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 101378086 JLDXVLBGGXXGRB-XIFFEERXSA-N 554.687 7.362 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5[N+](=O)[O-])ccc43)cc2)cc1 101378513 SXRFZOCTOCTUOL-HKBQPEDESA-N 563.566 5.685 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCC(C)C 101395515 OJBGXMJBEBUMBV-GDLZYMKVSA-N 538.600 6.530 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396692 UNLPIKIWQAYCHH-RUZDIDTESA-N 545.389 6.340 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(F)cc1 101399497 SPXWZPDOWHHLNX-HKBQPEDESA-N 590.563 5.957 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614885 XTXGJNMNEOKPIO-MHDJOFBISA-N 529.412 5.983 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c(Br)c1 101618979 ICLUQOFRHRKEJW-NJZRLIGZSA-N 531.410 5.930 50 10 KKGE CCN1CCN(c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 103110201 HTQSDOGRASMXFN-WNJJXGMVSA-N 567.155 5.103 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 103122114 NMSDHPLJHHOTBS-YNGKYYQNSA-N 535.994 6.396 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)cc2)cc1 103563177 JNTQSWUVAUWKKH-HNSNBQBZSA-N 558.034 5.881 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2c(Cl)cccc2Cl)C(=O)N1c1ccccc1C 103628495 IYXXGPXTFAKYEG-JNPOWPEBSA-N 522.457 6.675 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)c2cccc3cccnc23)cc1 105442851 RKSYQRHEHQNANI-FMFFXOCNSA-N 550.640 5.408 50 10 KKGE c1ccc(P(c2ccccc2)[C@@H]2CCC[C@H]2[C@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)cc1 150308413 UKCDADXCAXXBGR-KMKAFXEASA-N 506.610 7.590 50 10 KKGE in-vitro CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 150478089 OQWVCJWXIZRMHW-WJOKGBTCSA-N 649.958 8.842 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 164616273 RBWMNWMGKVPREV-ODNPBWNPSA-N 633.373 8.865 50 10 KKGE C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 196703770 DUBRZSYNDDSLBA-QMVXQDAZSA-N 729.429 10.741 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\[C@H]1CC(=O)OC1=O 216260892 MMUXFLFWXVPEEM-WRSXHADYSA-N 518.867 11.185 50 10 KKGE CCCCc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 232998081 ZEBLNDDWXLMQJA-KRWDZBQOSA-N 508.035 6.881 50 10 KKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1Cl 236041716 MMUWBWYRZXZLOA-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 251456530 YAHXNVGUCZQYAB-XAGBMBRSSA-N 535.651 9.113 50 10 KKGE biogenic CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 253530140 HQCIIKWOMRRRPN-IETFNLJSSA-N 521.624 8.723 50 10 KKGE biogenic O=C(CNc1c(Br)cc(Cl)cc1Br)NN=Cc1ccc(Cl)cc1Cl 254558624 OLTILGDKWFKEFI-UHFFFAOYSA-N 514.432 5.734 50 10 KKGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(-c2ccccc2)cc1 254854750 KVVSJGVOBFRYBD-UHFFFAOYSA-N 504.615 5.685 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2c1CCCC2 256017432 MNVCYTKDBKKLOB-UHFFFAOYSA-N 542.057 6.200 50 10 KKGE CCCCC[C@H](/C=C\[C@@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@H]1CCCCO1 256105680 GGIODFRWUKSMTA-FXKPKBBWSA-N 614.940 8.778 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 504234542 SJOJREZYJCSYQM-IRFCIJBXSA-N 504.933 7.587 50 10 KKGE C/C(=N/NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408846 ASTJQFVIVLLGSJ-DIYYYOMMSA-N 797.956 7.899 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(O)nc(/N=C/N(C)C)nc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 616587601 RJIVOTWXMBQEQW-ZCPUHMLSSA-N 895.131 9.711 50 10 KKGE BrCC(CBr)(Cc1ccc(I)cc1)C1CCCCC1 696831620 ZYOALYWXUBYVIR-UHFFFAOYSA-N 500.056 6.190 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)c(I)c1 701090698 BWWNPLJZVBWEOF-LLVKDONJSA-N 505.897 5.955 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(CCBr)C1CCCCC1 721570860 BPNYQCPFKLQHOD-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE Cc1sc([C@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 724909582 OHOVPYOFDZTFDR-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 725387796 GIHBNDDTJDELBR-UHFFFAOYSA-N 588.833 5.857 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1083988340 PHRNSOUUOISSEG-UHFFFAOYSA-N 606.060 7.164 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21 1084004745 FYEKPLSDGURXMI-YRAHWKOGSA-N 599.754 7.626 50 10 KKGE O=C(NN=Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1 1084083125 QWJJWSSNHOADAX-UHFFFAOYSA-N 508.192 5.828 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1 1084116781 YGIFDFLGVRWILR-UHFFFAOYSA-N 605.116 5.727 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084237951 IWCWWPMTVNGWQW-UHFFFAOYSA-N 580.607 5.315 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 1084283235 FVOUSLQVLBPIQY-DEOSSOPVSA-N 585.451 5.098 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084438192 FVKZUNXNYCSOEK-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1 1084470180 UGCNHQXGDOGDBB-JJIBRWJFSA-N 546.465 5.683 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N 1084641914 BVGCTUYYOCSLLJ-UHFFFAOYSA-N 557.448 6.280 50 10 KKGE O=C(OC[C@@H]1O[C@@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 1529579643 WISFGQOOKBVKPD-FVYAUOJASA-N 659.485 5.640 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653467 FMKDDCDHMMVUGS-DQNMMXTLSA-N 550.511 6.914 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743520 ASZBILJJYRICIP-UHFFFAOYSA-N 578.250 5.203 50 10 KKGE CCCCCC/C=C\CCCCC[C@@H](CC(=O)O[C@H](CC(=O)OC(c1ccccc1)c1ccccc1)CN(C)C)O[Si](C)(C)C(C)(C)C 1848434863 OWWXMQBBDRZOAG-YEPUMRRSSA-N 680.059 10.440 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682115 GGZJWTDXGMIFLD-SANMLTNESA-N 559.497 7.429 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865695572 DXIXIGPFTOHEMO-VWLOTQADSA-N 507.034 6.274 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cc(Br)cc(Br)c1O 1865700972 IRKSGWCVFNGHCK-FQEVSTJZSA-N 564.237 5.988 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706699 CUCQNYKGPSZWHC-QFIPXVFZSA-N 569.832 6.440 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)nc(Cc3ccccc3)n2)cc1 1868207385 LXWWCPSBQZXVFK-AREMUKBSSA-N 536.636 5.469 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)c(Br)c(OC)c1OC 1872749833 KBWMLAXHECRTIM-SILNSSARSA-N 501.402 6.165 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872758114 METGXXHJUZEZOQ-PTVQEHLCSA-N 501.608 5.939 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872794009 FSSXFLITGQMMDS-UDWIEESQSA-N 507.442 8.077 50 10 KKGE COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Br)sc(/C(C)=C/C#N)c1C 1873428992 ZRHQEKMYVBUGFL-XYOKQWHBSA-N 511.825 5.984 50 10 KKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1sccc1I 1899859056 YDKXINXDRWQUPT-QGZVFWFLSA-N 519.629 7.022 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915296111 QPGPNADASFMXAV-KRWDZBQOSA-N 509.691 5.713 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(I)ccc1Br 1924041279 UJRVMTXUTMCODH-XLKFXECMSA-N 559.865 6.451 50 10 KKGE CS(=O)(=O)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924602058 REXVZTJWHSDPKZ-VIFPVBQESA-N 567.944 5.923 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)cc(Br)c1 1950209116 YLNCWOFEJOOBKH-NSHDSACASA-N 503.879 6.828 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2c(Br)cccc2Br)c1 2033084101 LUWKWHNFRICAPH-ZDUSSCGKSA-N 562.719 7.221 50 10 KKGE CC(C)(C)C(=O)[C@@H](Br)Cc1cc(Br)c(Br)c(Br)c1 2034338697 IUGNKHRMMFZMBM-JTQLQIEISA-N 505.870 5.895 50 10 KKGE COc1sc([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 2034640078 JUGNADKJWPHZCP-LLVKDONJSA-N 566.878 6.371 50 10 KKGE Cc1c(Br)cnc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2128515787 VDSUYMLDTQPLSY-UHFFFAOYSA-N 525.878 5.712 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)cc1Br 2138162566 UQQDYAUAMHJYDD-LLVKDONJSA-N 537.868 6.668 50 10 KKGE Cc1cc([C@H](Br)c2ccc(F)c(Br)c2F)ccc1I 2142120373 SIVLIBMJHWMTBL-LBPRGKRZSA-N 501.934 6.125 50 10 KKGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(Br)cc2I)c1 2142277406 PIDVLLRXEWNEQP-LBPRGKRZSA-N 536.048 5.003 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)sc3Br)cc(Br)c2O1 2146630556 YBYJOFBIGLTMGB-PWCHPLFNSA-N 545.916 6.843 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(I)ccc2F)c(C)c1Br 2169668159 MXWNSRVDVLCTMO-INIZCTEOSA-N 511.998 6.602 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 2169668998 WLQXWQCYJKRDDW-CQSZACIVSA-N 558.954 5.454 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2206398893 ZZQCBRKPMXNMKA-QEYWKRMJSA-N 594.805 7.999 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2226834757 KIRSREGHKULNLK-BOCOKBRWSA-N 540.315 6.974 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2234055991 FMTMGPXFGDSZSY-HOCLYGCPSA-N 511.689 6.526 50 10 KKGE FC1CC(CBr)(COc2c(I)cc(I)cc2I)C1 2254450190 QHKXOUDKOYOYGA-UHFFFAOYSA-N 650.833 5.392 50 10 KKGE COc1c([C@@H](Br)c2cc(Br)c(Cl)s2)cc(Br)c(C)c1C 2284590920 OMLCNAXKPYDWCE-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)cc(Cl)c1 2288349863 UPYWDKDPACMSAJ-NSHDSACASA-N 509.797 7.281 50 10 KKGE COc1cc(OC)c([C@@H](Cl)c2csc(Br)c2Br)cc1Br 2295427236 BQIYYDRUAHSQCM-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE CCNC(=O)c1c(NC(=O)C(C#N)=Cc2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2 2295852198 IVAXXVQUXZZTKX-UHFFFAOYSA-N 509.635 5.545 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2296507054 QTWRBLUEGFJDEU-XMMPIXPASA-N 522.457 6.675 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1Cl 2313571057 MGQHRKBCUQJQGM-UHFFFAOYSA-N 627.693 7.775 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(I)cc1 2313571534 YLOFORWGSCRAHT-UHFFFAOYSA-N 705.117 7.336 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 2313667478 NQXYDUNYYYZUFP-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 2313676593 HREZAFPFKVHMIR-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593948 WHPCDUNSENHWIR-CJAUYULYSA-N 518.038 5.652 50 10 KKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)sc2c1 2325141425 UKJUHVGVLXEBMM-UHFFFAOYSA-N 502.599 7.522 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1OC 2328821266 YUCIYOOMKBHOEW-OFVILXPXSA-N 505.700 6.214 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OCC 2331044381 AWUGAOXOKSUNSY-UHFFFAOYSA-N 519.642 6.945 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2333303764 SHQYFAOPZQJDCW-IMBOEEOKSA-N 582.750 6.740 50 10 KKGE Fc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Br 2336047925 PTXZCKFFUFZSLR-FQEVSTJZSA-N 519.035 7.911 50 10 KKGE C[C@H]1CCC[C@](CI)(OCc2cc(Br)cc(Br)c2)C1 2337095566 BYNVNWZTGFILOM-NHYWBVRUSA-N 502.028 6.112 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc2sc(Br)cc2s1 2338692198 AHYJUZIMIZUYBV-SECBINFHSA-N 505.482 6.312 50 10 KKGE C[C@]12C[C@H](C1)[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362919482 VNLMNUMRGAGGFU-BVDAKZFTSA-N 552.326 6.832 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2363273919 WAWVNKMNGDPSFK-HNNXBMFYSA-N 501.509 7.672 50 10 KKGE CC(C)CC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccccc3)N2c2cccc(Cl)c2)CC1 37441726 JQEGUEIJYZUEJP-VYIQYICTSA-N 507.059 5.344 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCC(C)C 38684194 QMMLMPXGOMSTRO-GDLZYMKVSA-N 514.578 5.241 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684608 BZYPSQDKPLNEEL-OLILMLBXSA-N 510.590 5.966 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1Cl 38688065 CAMMWONLJFDMDC-HSZRJFAPSA-N 513.352 6.359 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38701315 DEPQDKRELLNXOQ-GDLZYMKVSA-N 522.601 7.056 50 10 KKGE O=C(CSCc1ccccc1Cl)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59152056 RBLLMATUQQQXTL-TVKQRKNISA-N 500.023 5.794 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1O 59166689 GAKBNCPLPCLUDP-TXNBCWFRSA-N 502.634 6.300 50 10 KKGE Cc1cc(NCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)ccc1I 100106955 SNJUCJVLZNXQKW-UVHMKAGCSA-N 578.248 5.503 50 10 KKGE CC(C)CCOc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100178684 WBQPLFGRIPBYBJ-UHFFFAOYSA-N 564.274 5.630 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 100231856 YTXVXJYURAODDS-SLLOZXFSSA-N 545.861 6.044 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 100327859 RHQBOEJYJUXYPA-PVEGLGLCSA-N 558.416 5.151 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 101336978 SQPWKKFELLSDGT-XOTBCMANSA-N 536.632 5.408 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 101339204 QDOZJWBNONSSEB-TURZUDJPSA-N 588.664 5.709 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339621 YLMZCPVTPFRMHC-JVWAILMASA-N 558.594 5.459 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C2=O)cc1 101339888 SFZMSRKOLQCHBJ-STBIYBPSSA-N 528.612 5.957 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381678 KRVUBUGSRUCRDS-JGCGQSQUSA-N 546.623 6.882 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 101394311 LFPQARSSFJGRPC-LJQANCHMSA-N 596.706 8.606 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 101395063 ZRZAYENOIWVQMJ-MHZLTWQESA-N 528.992 7.011 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611954 IUARMVOHMZJZBH-KCSSXMTESA-N 554.352 6.402 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 101727432 WJQWVDJLJCRSCP-XODNFHPESA-N 528.486 6.938 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 102278575 BKJVBWMDSBMRFB-QQXRELQNSA-N 557.994 5.495 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c([S@@](=O)C(F)(F)[C@@H](F)Cl)cc1Cl 103187863 AMMWUVYBCBVVCD-WYIRRWHOSA-N 509.667 5.468 50 10 KKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCCCCl)[C@@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 103197811 OJIUWGIVPVQZNW-MUUNZHRXSA-N 545.001 7.729 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F 103796911 YEDCVBQOXTXADS-FDALDRLYSA-N 626.526 8.096 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 128856859 QWUMEXGKNSJGNL-NSHDSACASA-N 519.878 6.529 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433788 RZXMUBCFZADIKI-MGBGTMOVSA-N 655.534 8.772 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 150485996 NAOFANHVSXRXDS-MUUNZHRXSA-N 637.585 9.003 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C2=O)cc1 150498077 DMCMQMGEAUABRR-QZUPAWKOSA-N 675.811 5.803 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1OC 169691524 ZTUQICPTLSMTBK-MNDLBQGCSA-N 521.485 5.403 50 10 KKGE C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)C[C@@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 195844942 YKXYTSHOAIXBSR-KLSQZBRUSA-N 692.193 10.862 50 10 KKGE in-vitro C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 198071041 HAYVDHBKYABBBI-IIADNLLRSA-N 645.174 11.764 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)c2ccccc2)[nH]1 253561731 CKYZUUDKYGDKDQ-FADJLKOXSA-N 654.845 5.770 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254348704 FAMVRARILAYFDA-AHEDIBKTSA-N 562.670 5.652 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 254519987 ULGQNPJATPEWCD-UHFFFAOYSA-N 584.705 7.067 50 10 KKGE CCOc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1 254578786 JMUFABLDLKVOBG-NRFANRHFSA-N 514.655 5.217 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1ccc2c3c(cccc13)CC2 254760341 WXJSZWINSGOHSQ-UHFFFAOYSA-N 519.648 7.768 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2OC)cc1 254836455 HJUPYRPMAMGDIK-UHFFFAOYSA-N 526.589 5.776 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nnc2-c2ccccc2)cc1 263627656 WWVRFQQSZBEKCU-XZGCYHPKSA-N 518.042 5.807 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591087 WUUPISRMPWBNRI-HOTJZUGSSA-N 744.913 6.611 50 10 KKGE CCOc1ccc(Oc2c(C=NNC(=O)CC34CC5CC(CC(C5)C3)C4)c(C)nn2-c2ccccc2)cc1 886005253 YZTIBVCIINYXGY-UHFFFAOYSA-N 512.654 6.428 50 10 KKGE COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc(NC(C)=O)cc1 1083999752 XAJLBMHRCMPTOB-UHFFFAOYSA-N 507.590 5.515 50 10 KKGE C/C(C[C@@H]1C[C@@H](CC#N)C1(C)C)=N/NC(=O)CN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 1084001211 KBXRZCKYAOFMGW-AHYRJOCHSA-N 573.698 5.415 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084072125 HYVYZHSKYSERIV-VCHYOVAHSA-N 526.774 6.444 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Br)c3)c2C)c1 1084077580 QOABCIRWYUERTH-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084086381 JOTBLCCANFJBQP-UHFFFAOYSA-N 563.485 5.594 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 1084125063 CZJXZAYTKXSYDN-XSFVSMFZSA-N 508.361 6.755 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 1084159242 FOHDSUQBYGVXEQ-YBFXNURJSA-N 558.803 6.386 50 10 KKGE COc1cccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OC 1084197642 LCADYEUTBYHOJD-UHFFFAOYSA-N 502.634 6.213 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OC 1084243161 DQIUUNLXHPUNNV-UHFFFAOYSA-N 586.486 6.259 50 10 KKGE O=C(Cc1ccccc1)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084286938 LLGKZONRZKHBAP-UHFFFAOYSA-N 538.610 5.534 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1084591153 UQPHSWBJPSTMQA-CAOOACKPSA-N 550.667 7.842 50 10 KKGE CCc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084609238 PPUWLPODOZVRQL-UHFFFAOYSA-N 583.541 6.309 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])cc(Cl)c1O 1565517489 CFMFHBNCWSMMFS-UHFFFAOYSA-N 505.999 5.595 50 10 KKGE C[C@@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1616183172 VEETZZJNODFHSH-BESONWSNSA-N 572.893 6.602 50 10 KKGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772754959 CMFFMFDKSLOGAK-UHFFFAOYSA-N 534.501 6.003 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686868 DAMQXEOZXOGVQM-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690592 WLSQTWQZMGRERL-RUZDIDTESA-N 525.480 6.978 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865697635 YMUKSIJQFNFEMW-OAQYLSRUSA-N 523.431 5.594 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699392 SMICHZIQWCQVGY-GDLZYMKVSA-N 523.596 6.411 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700816 FAPQLTQGCJPTDD-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705430 VVMBCPKLODBSGA-HHHXNRCGSA-N 555.034 5.983 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709952 KZKPDVXVQOULKA-INIZCTEOSA-N 510.259 5.383 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711995 NEUFCRNNHXXEMM-XIFFEERXSA-N 572.640 6.755 50 10 KKGE C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946428 OSDWPWWHORBWRK-MWTRTKDXSA-N 524.440 5.198 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867197366 IYPNCXRBWWXTIZ-BEFAXECRSA-N 504.450 5.304 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868300385 DMJYQPAYOJBOGL-NRFANRHFSA-N 507.619 6.491 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CCO2)cc1 1868320109 BNUMGCUYHFYGTH-HHHXNRCGSA-N 507.663 6.909 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(C)ccc4[C@H]3CC(C)C)n2)cc1 1868320419 JTWPIKYSSBFGBO-GDLZYMKVSA-N 519.718 8.227 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](Oc4ccccc4)C3)n2)c1 1868504939 AXYCTYUJRTZTLF-VWLOTQADSA-N 509.635 6.517 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCCc4ccc(N5CCCC5)cc43)nc(-c3cccnc3)n2)cc1 1868565850 ONUVZJCXUDLAFE-UHFFFAOYSA-N 505.651 6.540 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 1872752269 ULZYTPXPZXJWJY-LCUIJRPUSA-N 509.562 6.823 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 1872753235 NLOGQNRWLJYSDV-BZZOAKBMSA-N 511.669 6.481 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 1872756665 UWHXBXJVEFCCDT-FRUQYNCGSA-N 511.814 7.048 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922940009 JXSGCBZTPQVNCN-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cl[C@@H](c1ccoc1Br)c1c(Br)sc(Br)c1Br 1924579351 DGLGDRLKBNTNAV-LURJTMIESA-N 514.258 6.719 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)o1 1924579568 HGXJJEYYNCENTG-LURJTMIESA-N 558.709 6.875 50 10 KKGE Clc1sc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)c1Cl 1925589476 UFDXIIDHKHDBIG-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE O[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2025782867 KVOQLIQPIASTTJ-ZROIKLNDSA-N 556.712 5.944 50 10 KKGE CN([C@@H](c1ccc(C(C)(C)C)cc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@@](=O)C(C)(C)C 2080759670 ACQAWZGNHSXJLA-NUVHDLBKSA-N 673.903 9.657 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(F)ccc1Br)C(=O)OC(C)(C)C 2085378057 JMYMTWLGRQODNK-SFHVURJKSA-N 530.216 5.556 50 10 KKGE BrCc1cc(Br)ccc1OCc1c(Br)cccc1Br 2094091573 VMOYMKQMUOUBDF-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cl[C@@H](c1scc(Br)c1Br)c1c(Br)c(Br)cc(Br)c1Br 2141469238 TXRLOZCBURXYDL-SNVBAGLBSA-N 682.089 8.651 50 10 KKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470402 GTRLWTGFGUQWJU-CVJICSNFSA-N 582.794 7.855 50 10 KKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470510 HTYUVXQKSBZTNP-WRWORJQWSA-N 584.810 8.245 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc1I 2142102909 CKARBLCRGZDHJJ-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)cc2I)c1C 2218783117 UIFOWMMBCKITEN-LLVKDONJSA-N 520.455 6.823 50 10 KKGE Brc1sc(C[C@@H](Br)CN2CCCCC2)c(Br)c1Br 2222472248 OGLRPHQVVOOKTA-MRVPVSSYSA-N 524.942 5.828 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c(Cl)c1Cl 2232508767 AUYQZURGYZORLK-LLVKDONJSA-N 542.707 8.263 50 10 KKGE CCN(C[C@@](C)(CI)OCC1(C)CC2(CC(F)(F)C2)C1)C(=O)OC(C)(C)C 2238837969 ACQWYZBVJMHEPM-GOSISDBHSA-N 501.396 5.669 50 10 KKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)c(F)cc1Br 2255682319 FHFNRDWIQYAZFB-SNVBAGLBSA-N 525.832 6.798 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2293031305 CZFDLCSKHHKNTJ-UHFFFAOYSA-N 527.558 6.614 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2295282575 CFQYCCBMFWTGCC-NSHDSACASA-N 523.899 7.334 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2C2CCCCC2)cc1 2296809636 FXPWKYZKHHCFHQ-UHFFFAOYSA-N 504.616 5.574 50 10 KKGE Cc1ccc2cc(C=C(C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(Cl)nc2c1 2297624107 NTVGHBAFMSHCFM-UHFFFAOYSA-N 534.822 7.253 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(Cl)c(I)c2)s1 2300954777 BWMWLXPTGRNDKS-SNVBAGLBSA-N 573.846 6.748 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518827 VRRZDAHKXQWELL-UHFFFAOYSA-N 503.223 7.716 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1OC 2314793790 ZSOZULXASTYLLH-UHFFFAOYSA-N 546.689 7.277 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 2328796446 VATHAMGRQLTGFV-SBUREZEXSA-N 504.027 5.317 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331341595 IVVNPULJEMOJJL-CQSZACIVSA-N 503.849 7.610 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 2331463673 ZNIYQUYPKVJXOU-UHFFFAOYSA-N 504.696 8.282 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089166 VKTSRMURNRTXGZ-JTQLQIEISA-N 540.246 7.152 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)sc2Br)c1 2341180274 MIDXGTYBIBVWLN-LLVKDONJSA-N 507.900 7.649 50 10 KKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)c1ccc(Br)cc1 2349842208 XARWANVVYHGDGF-GFCCVEGCSA-N 514.426 6.381 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360493624 RDBBGAYWKBYUGR-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(I)cc2)c1Br 2365188265 JRYIYGPPKQQZIB-ZDUSSCGKSA-N 574.876 6.618 50 10 KKGE COc1c(F)cc([C@@H](Br)c2ccc(Br)cc2I)cc1F 2370446996 ACZBXFVPOAEILH-CYBMUJFWSA-N 517.933 5.825 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C(SCc1ccccc1Cl)SCc1ccccc1Cl 3059089 JAVMJXZRXIDVNN-UHFFFAOYSA-N 513.515 7.254 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38660067 WNHKWXZVPSZJRS-MHZLTWQESA-N 500.551 5.320 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 38686344 LGPGNOXOJHIRTF-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 38686815 YDCKJZFIRILSEF-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811770 DQVGSVZYHZVMNX-MTDXEUNCSA-N 514.807 6.035 50 10 KKGE CCCC[C@@H](CC)c1nc2n(n1)C(=O)C(C#N)=C(C)/C2=N\c1sc(N(CCCC)CCCC)nc1-c1ccccc1 59143067 XZHRTVHHNREFPD-CUZORWKBSA-N 571.795 8.107 50 10 KKGE CCOc1cc(OCC)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59304589 GZTRBFBXZRTYBJ-FOKLQQMPSA-N 510.182 5.519 50 10 KKGE O=[P@](CN(Cc1ccccc1)Cc1ccccc1)(OCCCl)N(Cc1ccccc1)Cc1ccccc1 97729776 RITPOWVASJIMSZ-DIPNUNPCSA-N 533.052 7.797 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212034 OBJKORQNUYIZDU-UHFFFAOYSA-N 558.860 5.212 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 100235357 CHXYDSAHENNNKA-HHUCIZBTSA-N 624.359 7.096 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 100327938 ANPWAJNEAAWLDQ-GXZQEHIMSA-N 558.416 5.151 50 10 KKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 101022534 YGFBPAIAFNPYOL-ZXVVBBHZSA-N 541.079 9.047 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1F 101333044 OFXCPVSMVLPHDI-KOEQRZSOSA-N 526.612 6.250 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C2=O)cc1 101340269 DHAMQYVNADQYNQ-FMFFXOCNSA-N 600.719 6.726 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101375304 NRKICLWMILGNMA-WJOKGBTCSA-N 621.528 7.009 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381072 MUFOLLLFICQPIV-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383658 ZWNAQDLHLDSWON-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385244 DSHICXMAVXRVOU-LPYOBDFFSA-N 544.607 6.420 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386199 UKCWZFAWODCFRL-YTTGMZPUSA-N 599.039 6.139 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387331 SRGHTQZDIQRAOH-GSTQUKTASA-N 594.639 6.567 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc(OC)c1OC 101393446 CVZLMFHJQVXESM-JOCHJYFZSA-N 583.449 6.671 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399176 RLXNWLITSLQNTO-JGCGQSQUSA-N 607.062 7.728 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 101727435 SFPXRXWMNYOGKZ-XKJRVUDJSA-N 562.931 7.592 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 102664471 WJNONDJOWNSKKI-RGEXLXHISA-N 533.005 7.059 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)cc(I)c1OCc1ccccc1C 102932947 LUGQCINCUDRKOJ-BKUYFWCQSA-N 596.421 5.910 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 102940846 OIBIFPYSVPRTDL-NLCYHYBPSA-N 538.576 5.762 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1C#N 103789516 IMIWEOAKVALJGZ-BUVRLJJBSA-N 604.448 5.006 50 10 KKGE Cc1c(Br)c(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 103845739 GYCBSOQNPWESSK-LFIBNONCSA-N 535.077 7.446 50 10 KKGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cc(F)c(F)cc1Cl 104997687 BELXSBBXORJMGC-HFTWOUSFSA-N 518.745 5.104 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 128745049 URMZOHKKYLZCDM-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCC/C=C/CCCCCCCC 137028058 BLQSPZHGZHJLGB-CSWDEDFYSA-N 639.446 12.755 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150410553 PWGCNCMTJOWWFW-UHFFFAOYSA-N 629.143 6.002 50 10 KKGE CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C(C)C)cc3Br)cc2)c(Br)c1 150425992 GBZIOZBAXVTXID-KXJQYHRCSA-N 672.418 6.517 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433502 LLUVJXCCQJBSMH-MGBGTMOVSA-N 645.539 8.196 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498148 UHXXMBXKOFAFSJ-DMGSHAKESA-N 632.746 5.147 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 161113189 UVAMLWYZFKDPAF-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207167988 CFYCDPBOIHQSFU-QLSHSZRZSA-N 506.599 5.181 50 10 KKGE Clc1cnccc1C[C@H](Br)c1cc(Br)ccc1I 236036610 OMYWCZVXFQXEBK-NSHDSACASA-N 501.387 5.781 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cc(Br)sc3Br)c(Cl)cc2N1 236078112 ZRUQPAMWUARLGH-LBPRGKRZSA-N 500.437 5.905 50 10 KKGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 252596771 CMKHNFZCLXQGQT-SKTGYENISA-N 519.561 5.253 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253571203 ORDHFQKXBWOQSE-MYBYBSHWSA-N 679.939 7.593 50 10 KKGE COC(=O)[C@@H](C(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 575234413 JKMFKRMCPAVZBE-GGXMVOPNSA-O 635.335 6.100 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 725401395 YRKQNGXQUNIDHA-HHHXNRCGSA-N 608.476 6.386 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 725417979 HRJDPEFZMGMJPO-UHFFFAOYSA-N 548.064 5.649 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2F)cc1 725433606 DYOOGOILJCUTKH-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 1083911858 DQHIAOODKWMXCC-HYARGMPZSA-N 566.293 7.373 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 1083926488 SAAQWROZORVPRM-AREMUKBSSA-N 521.455 6.029 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083979169 OSKYTCIRJZNLCN-UHFFFAOYSA-N 641.143 8.006 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1 1084072102 YAHCPYWQGJPFFK-UHFFFAOYSA-N 552.925 7.566 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(I)cc2)ccc2ccccc12)c1ccccc1Br 1084099642 PEHJUIIZYWLBOO-UHFFFAOYSA-N 585.239 6.550 50 10 KKGE Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084169163 SALLUDSDZDSAAM-UHFFFAOYSA-N 573.678 6.593 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1084180759 GKJSRHAATQTOMZ-XIFFEERXSA-N 578.112 7.827 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1 1084297373 RTGJGHOONZKJTH-PCLIKHOPSA-N 513.424 8.000 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 1084323683 PAUPNMJPXCZFPP-MHZLTWQESA-N 520.601 5.504 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1084564130 IJLONXRACLQIRV-NDEPHWFRSA-N 561.476 6.544 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(F)c1 1084567452 ANLPILRPGAAUDN-HYARGMPZSA-N 597.428 5.274 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1)S(=O)(=O)c1ccccc1 1084620060 FVZIMZJREGNIQB-UHFFFAOYSA-N 669.159 7.295 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084621057 JVPQBFRYOWESFZ-VWLOTQADSA-N 527.448 6.273 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc3ccccc3nc2Cl)C1 1614693573 RAWJTAZUSMWKGJ-MJGOQNOKSA-N 506.771 5.675 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)sc2c1CC[C@H](C)C2 1772752785 XTCJORHWFJSKFE-KRWDZBQOSA-N 556.084 6.446 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682016 DDFBSAFGBRVENJ-MUUNZHRXSA-N 518.661 6.740 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682573 RTFRIOPYFDREGH-XMMPIXPASA-N 532.959 5.332 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865691222 NBBXDXLZIDKYNA-JOCHJYFZSA-N 523.431 5.603 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865691686 YYNKYGMWBCTDIL-IBGZPJMESA-N 521.326 6.040 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865693526 KLTQIECFJANXEG-NDEPHWFRSA-N 541.051 6.343 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865695297 BGTDLWJEICCSTC-SANMLTNESA-N 507.034 6.079 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1865701147 NDCRNPXCYJKBOD-MHZLTWQESA-N 528.996 5.649 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865702860 HARJUUIANGNOKM-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705583 ZOHPNODGJLHTOJ-LJAQVGFWSA-N 554.606 6.044 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1 1868231447 HEJPLGIONOXUKA-LJAQVGFWSA-N 507.663 7.077 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Br)cc4)C3)nc(-c3ccccc3)n2)cc1 1868364741 FIWBYTGKXVOVGS-DEOSSOPVSA-N 544.478 6.801 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1OCc1cccc(C)c1 1872782968 ZNJSXOHOIVHDPL-VUTHCHCSSA-N 514.650 8.437 50 10 KKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924571869 VIHZEOJSBXBMAE-ZCFIWIBFSA-N 573.973 5.985 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924605778 WYAXLTOAWNQLCX-ZETCQYMHSA-N 572.736 7.184 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(I)c1 1948503152 ANDYWPLRXHLVSI-LLVKDONJSA-N 510.391 6.392 50 10 KKGE CCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025779087 CIMTWWNNXITXBY-NSHDSACASA-N 554.740 7.363 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2025782866 KVOQLIQPIASTTJ-XOGFGSHOSA-N 556.712 5.944 50 10 KKGE CCCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 2027123339 XPDKCISCXMRTDA-CQSZACIVSA-N 500.037 6.552 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2043568395 BZPXRHXESHUGKS-AXDDTHNUSA-N 535.843 7.060 50 10 KKGE COc1ccc(C(C)(C)C)cc1NC(=O)CSC(Nc1ccccc1C)=C(C#N)c1nc2ccccc2s1 2053623458 ZNOUXYDPJLSDCE-UHFFFAOYSA-N 542.730 7.587 50 10 KKGE Clc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1I 2083336420 ZXVBTGLYSFRPOU-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE CC[C@]12CO[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2084490633 KBSUUTDZXZPUCH-FXAINCCUSA-N 523.910 6.431 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2085494516 DAQYRGGIQHCEJX-GFCCVEGCSA-N 538.324 7.435 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2104786369 FBDZEMVBKKRCHY-LURJTMIESA-N 528.318 7.912 50 10 KKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)CC1CCCC1 2123270024 VSAFCBRKCXKPQC-UHFFFAOYSA-N 501.284 5.725 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2137654215 BJVHCSAFUQMLQL-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3OCCC[C@@H]32)c1Br 2141471355 QLDBYWIKYUBDNT-YFVDSVNHSA-N 582.750 6.598 50 10 KKGE CCCC[C@@H](CC)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478096 WOJNTIYHNYGWLG-CLAHSXSESA-N 540.359 8.233 50 10 KKGE O=S(=O)(CCC(CCl)CCl)Nc1c(Br)cc(Br)cc1Br 2160948227 IXCKLZXQSBXEQL-UHFFFAOYSA-N 532.907 5.200 50 10 KKGE COc1cc(C)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2198733920 BISBZNGHKXQOJL-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c(F)c1Cl 2201616835 WXAIPJOWWYNKOA-NSHDSACASA-N 554.248 7.390 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2203433552 QHOMDAORPRCXAK-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397900 OFBHBCSSPRYIRN-PRHODGIISA-N 596.821 8.389 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)s1 2233013280 IEAGAQSCGIQELP-ZDUSSCGKSA-N 534.026 6.275 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2c(F)cccc2I)c1Br 2255901669 NGWSUGCASAHECL-SNVBAGLBSA-N 524.418 6.653 50 10 KKGE Fc1cc(Br)cc(Oc2cc(I)ccc2Cl)c1CBr 2272634123 OWLQTVNYDXPAGY-UHFFFAOYSA-N 520.361 6.533 50 10 KKGE Cc1cc(Oc2c(I)cc(Cl)cc2I)cc(CBr)n1 2272752205 CDCUALYRVBWZAX-UHFFFAOYSA-N 564.386 5.940 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277947947 KGGDCZTVBZMICA-LLVKDONJSA-N 515.869 5.869 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2I)c(C)c1Cl 2282787183 NNPUSDWACDWSRT-AWEZNQCLSA-N 532.416 6.947 50 10 KKGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 2293198090 JCFOHOPESRZEHY-UHFFFAOYSA-N 559.018 5.764 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 2295116797 AJBRDUIHLJKFNW-UHFFFAOYSA-N 645.941 6.309 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 2295265023 MGECWZJQWCASKJ-OAQYLSRUSA-N 510.653 7.483 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295275017 QLACLHYEWRAAON-HNNXBMFYSA-N 546.322 7.568 50 10 KKGE Cc1ccccc1N1C(=O)[C@H](Cc2cccc(Cl)c2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2296507139 VFLGSBRRTHXTHJ-QFIPXVFZSA-N 508.430 6.367 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1 2299523402 SYOWLDXPDGUTFP-MHZLTWQESA-N 538.279 8.091 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 2313567739 NRTURGSXIGSUHZ-UHFFFAOYSA-N 595.541 6.691 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314488078 ISKVQDMRHZOALA-UHFFFAOYSA-N 506.893 5.378 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592363 RUYZGHSOCMCBHH-XMMPIXPASA-N 572.008 6.741 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 2314620211 MPPMCUDGMAFTRK-UHFFFAOYSA-N 577.084 7.082 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2316718936 YZIZFKLHVXACCZ-HNNXBMFYSA-N 593.939 6.771 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Cl)c1 2328824683 SXYFIGLMDWRTRW-DEOSSOPVSA-N 510.119 6.859 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331259437 DYCRNCDUJZXRNK-UHFFFAOYSA-N 509.587 6.492 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)n1 2331282050 XLRBXXJYWWZLAN-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(C)cc2C(C)(C)C)n1 2331362576 CTZPOSBPTBLSRI-UHFFFAOYSA-N 503.451 7.603 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362252888 SPMLJDDKGZZZTB-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2364234491 KAMARMROAYPOPX-VIFPVBQESA-N 507.835 5.745 50 10 KKGE Clc1ccc(COc2c(Cl)cc(CBr)cc2Cl)c(I)c1 2366726881 ADOYSLPRAXHVKI-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 3181024 XFWKGHCSSBZQOZ-UHFFFAOYSA-N 539.035 5.246 50 10 KKGE CCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C 33392287 PRIGRFNLVWYWIB-QPEQYQDCSA-N 509.154 5.373 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c(OC)c1 38657184 QLWJXURKUZQETO-KWMCUTETSA-N 514.578 5.418 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 38684639 TZWVNTHKZSJLOO-GDLZYMKVSA-N 514.578 5.323 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815482 NEVJIPMIRBAUKJ-JGRMKTMXSA-N 526.036 6.791 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244968 KHTWPSOPDRXDCV-RAMZYJDASA-N 535.591 6.641 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCCC(C)C 101368510 CJYOBXHRIXPYOK-HHHXNRCGSA-N 563.994 6.119 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 101375485 WGCMAEINHDQTPO-MGBGTMOVSA-N 562.666 7.635 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 101378064 MZJPPRLPMVFENC-WJOKGBTCSA-N 561.078 7.200 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379817 FSPVDHPIOWGLIY-XIFFEERXSA-N 595.095 7.925 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387822 WZTNTFRZGBVVKE-UMSFTDKQSA-N 590.676 7.197 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387948 ASKIXOQAUMQEOB-CGDLVVIGSA-N 604.703 7.126 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101388522 OSZNWNFANPCIHG-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)c(C)c2c1 101393759 PLWAGLYLSJRKQY-WJOKGBTCSA-N 542.591 7.533 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396596 GXHXNPSTPOTFKC-MUUNZHRXSA-N 587.470 7.510 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccc(Br)cc1 102933031 PYHOYEGVPPPICA-LDADJPATSA-N 538.354 5.499 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccs4)c(NC(=O)c4ccccc4)s3)o2)cc1 109556823 KSUQCALLKLPCBQ-XLNRJJMWSA-N 551.649 7.625 50 10 KKGE Clc1cccc(Cl)c1CC(CBr)(CBr)c1ccccc1Br 118878893 SACMNEJIPASNJJ-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCCSSc1ccc([N+](=O)[O-])c(C(=O)O)c1 137101499 LOFWGUHSPHTEBG-RBTKMAPZSA-N 599.903 11.686 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150464081 BQTDGJXBQSKGDF-YJQDUFNZSA-N 678.836 6.357 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 164722396 QTVQVVXUUIWKIN-IUXPMGMMSA-N 689.118 7.636 50 10 KKGE C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C 195781532 FRTKXRNTVMCAKI-UHFFFAOYSA-N 613.254 7.321 50 10 KKGE CC(C)(O[C@H]1CCCCO1)c1ccccc1CC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 199743322 IWXWLTJEVIIJGG-VPEUQALRSA-N 656.383 11.533 50 10 KKGE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 204863018 RYHLWMVBBKIGMO-MOBRRXELSA-N 520.783 5.462 50 10 KKGE in-vitro Clc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(Cl)c1 236062308 SCYPINJOXISHPP-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc(N=Cc4ccc(OS(=O)(=O)c5ccc(C)c([N+](=O)[O-])c5)cc4)cc3)cc2)cc1[N+](=O)[O-] 254385083 FRWCWJOFBOIIRZ-UHFFFAOYSA-N 757.759 6.170 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1OC 254447691 UXYGEACRYNLJOZ-UHFFFAOYSA-N 507.660 5.408 50 10 KKGE O=C(NN=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1cccs1 254820924 KUARCYPEGYTNJX-UHFFFAOYSA-N 540.554 5.152 50 10 KKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(O)cc2)cc1 254869848 LDWFWXYTSKAMHC-UHFFFAOYSA-N 518.491 6.302 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cc(Br)ccc1OCc1ccccc1 256028252 BBNLPQCVHLLXKI-UHFFFAOYSA-N 539.480 5.789 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306147090 STDWDYDOHOANPV-FGCVWMNQSA-N 950.167 7.570 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 380272002 XZMCKLNRVQNNJA-VIFPVBQESA-N 557.849 7.539 50 10 KKGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1Br 382694859 SYWMJBAJCBCGFJ-DLBZAZTESA-N 530.200 5.245 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)o1)c1ccc(Br)cc1 393551986 MZEHKQGTCLKREU-UHFFFAOYSA-N 515.865 6.075 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 394034508 NHZOBCHMWFOWMY-INIZCTEOSA-N 506.181 7.593 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)c(F)c1F 398591517 PODTXNFEFAUJRN-LLVKDONJSA-N 540.342 6.609 50 10 KKGE CCCCN(CCCC)c1ccc(/C=C\c2ccc(/C=C\C3=C(C#N)C(=C(C#N)C#N)O[C@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 888087651 SXFGKYGUYHUANQ-SMEOHIAZSA-N 744.883 11.527 50 10 KKGE Cc1ccc(C(=O)NN=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1081105058 MJVLLZVXFIQNQK-UHFFFAOYSA-N 514.807 5.501 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C)c1 1083945488 YZDKFVAUXXQNMM-UHFFFAOYSA-N 633.280 6.850 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1083971239 OLOIZOUKQUUYMZ-UHFFFAOYSA-N 553.210 6.172 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc(I)c4)c3C)sc3c2CCCC3)cc1 1084083955 PRRZSRGUPBJLTL-UHFFFAOYSA-N 636.559 6.964 50 10 KKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 1084313370 GULXOPPCXOPPQD-YVLHZVERSA-N 502.195 6.881 50 10 KKGE CCc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1 1084321769 YHDJDSJYAWJICQ-UHFFFAOYSA-N 549.096 5.656 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1084327646 OPIAJIZJMPKKDY-UHFFFAOYSA-N 546.111 7.540 50 10 KKGE Cc1cccc(COc2c(I)cc(C=NNC(=O)c3cc4ccccc4o3)cc2I)c1 1084495558 SCGCWCFXNGNFMP-UHFFFAOYSA-N 636.227 6.293 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084528064 GRPZNSCNDICABU-UHFFFAOYSA-N 656.588 6.715 50 10 KKGE O=C(CSC1=N[C@H](c2ccccc2)[C@@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccc(Cl)cc21 1088734444 BGKGMBSNGYAUHN-FGZHOGPDSA-N 502.987 5.150 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1Cc2cc(Cl)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615886554 ZXUXBMVCZNYBDW-ICGFYUGKSA-N 634.911 7.115 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747732 QHHCBZUWVGPCGK-UHFFFAOYSA-N 548.242 6.137 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683788 PNUQGJOBIITVNM-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865690918 DZXPOLNDHYBTIT-MUUNZHRXSA-N 555.078 7.379 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865692100 AOFSPPOWTAEKCR-RUZDIDTESA-N 508.578 5.232 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865692646 HFMQVBSJBXULOM-VWLOTQADSA-N 526.568 5.372 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694817 CLSFDXPGOABPIC-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE O=C([C@@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)N(CCCl)CCCl 1866307981 IVSWVLIHSMAYSH-GFCCVEGCSA-N 557.088 5.814 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866664392 DKXPCERXCOWPAK-RUZDIDTESA-N 531.037 5.785 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866682067 WFCXCKZVRBLCGO-VSGBNLITSA-N 522.630 5.053 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)c2ccccc2)cc1 1866783688 ZJCFOJSAQBBGQO-PXJZQJOASA-N 527.596 6.556 50 10 KKGE CCC[C@@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867028799 IKWLNRPDZHJNJJ-FGZHOGPDSA-N 535.695 5.237 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432901 ADZKEKYIIWJLCG-DEOSSOPVSA-N 534.472 7.345 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@@H]3c3cn(C)c4ccccc34)n2)cc1 1868527954 KWOSJMRDSIKROO-PMERELPUSA-N 575.698 6.028 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)cc3)nc(O)c2cc1OC 1872727672 RMUGTWWPOPWGQR-WOJGMQOQSA-N 518.367 5.758 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1872751380 FNSIKBSYYIHWEM-QOCHGBHMSA-N 517.478 8.075 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1 1872757935 CYNZRQSRHWUNIJ-MQAXGYDLSA-N 502.242 7.201 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1OCCC 1872818268 UPLMIKBILLSWTO-SZMIEORPSA-N 506.624 6.911 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1sc(Br)cc1Br 1922892995 UUHTYIZDSJQRMU-JTQLQIEISA-N 557.849 7.539 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1I 1925622192 PIZLIEYXIKTBLP-SSDOTTSWSA-N 500.385 6.936 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1C(F)(F)F 2039188129 RFQIRSJKVYLOFI-PHTXQJRJSA-N 535.843 7.060 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@H]32)c1Br 2085496340 VYYXVJIZKBWIJP-GUVZMZOPSA-N 568.723 6.208 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2085497377 VVZXCONSURRNQE-LLVKDONJSA-N 542.674 7.311 50 10 KKGE Brc1ccc([C@H](Br)Cc2ccncc2Br)c(I)c1 2086149891 TXRVVLAECTWHPR-LLVKDONJSA-N 545.838 5.890 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 2112344607 NVVJZIBBVYECNY-SECBINFHSA-N 515.826 7.295 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2142290185 ZAEAZVXJSZCCNF-CQSZACIVSA-N 560.849 6.309 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@@H]2CC[C@H]2OCc2ccccc2)c1Br 2179828278 OERUHQGTHZOANE-QZTJIDSGSA-N 517.283 5.021 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(I)sn1 2213488925 IQYMDCBXDCPJCZ-JTQLQIEISA-N 555.830 5.896 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 2235607856 HJKYTIHYXDJBNZ-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Cl)c(OC)c1Br 2279286095 BPVCIXKFAVKBJU-SECBINFHSA-N 505.453 6.428 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 2295847297 IOSXXIFARUTNNZ-UHFFFAOYSA-N 577.243 5.894 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)cc1 2296500416 PGEIBXPVYVLLBB-UHFFFAOYSA-N 538.625 6.725 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CSC(NC(=O)c1ccccc1)=C(C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2296548437 MNOMODRZGFJBJV-AREMUKBSSA-N 628.581 8.196 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2297461959 PDKNRUUMCAJRTP-UHFFFAOYSA-N 515.466 6.592 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313631714 UQSKXXVTSMYEJV-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1 2313649570 OPJFNYYWWPSAOI-UHFFFAOYSA-N 537.704 7.400 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2313738547 HBLZRWYLYFVVEQ-UHFFFAOYSA-N 514.334 7.561 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 2314414705 JKBKWBINQHSDFN-UHFFFAOYSA-N 528.587 7.112 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592201 NTCRZBXNTBNPTH-SANMLTNESA-N 516.066 6.837 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314617175 SDIJDNMGGAWVKP-UHFFFAOYSA-N 589.095 7.307 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1C 2315634061 UREAPBYSULGOJC-KRWDZBQOSA-N 529.070 6.317 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C(C)C)cc4)csc3n2)cc1 2320486476 ZQBYBBWIILATDX-UHFFFAOYSA-N 504.681 6.553 50 10 KKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 2331123056 XJTHCTHWEQWQFB-UHFFFAOYSA-N 544.409 5.707 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 2331340405 ARYXFSXLSVGSLQ-NRFANRHFSA-N 501.608 5.956 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2338023886 MOADMKMCACTCKK-AWEZNQCLSA-N 578.933 7.315 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccsc2Br)c1Br 2339652796 CILKFGRZPDOOAW-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cccc(Br)c2)c1Br 2365189522 VUTBVZKTGSOSFW-CYBMUJFWSA-N 527.876 6.775 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2369221729 QNJXMKSZRPMODP-WGZSSWNPSA-N 552.370 8.089 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H]3COc4ccc(C(C)(C)C)cc4O3)cc2)cc1 26608411 YLHPBKIJKDVEOL-HUEHPZEESA-N 514.622 5.791 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650931 IQUPRKRDIXFODJ-MUUNZHRXSA-N 519.513 5.611 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 38683822 JVHBUBKPVKQFHK-LJAQVGFWSA-N 514.578 5.385 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38685506 PGQTVYBIIMGEIX-WJOKGBTCSA-N 526.633 6.582 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 38686946 QZELHRPENOBQAL-OAQYLSRUSA-N 507.398 6.954 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 40890011 IDJDMTFAVFPXQV-OQKWZONESA-N 516.594 5.574 50 10 KKGE COc1ccc2sc(C(=O)Oc3ccc(/C=C(\C#N)c4ccc(Cl)cc4)cc3OC)c(Cl)c2c1 41008059 VFYYBIFJEGVODX-GZTJUZNOSA-N 510.398 7.509 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 58889820 SKDUSTUQOPVVNX-WGJSBGIVSA-N 521.828 6.198 50 10 KKGE Cc1ccc2c(c1C)NC(=O)/C2=N\NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 59157776 ZWLJNVBFGGMGEY-UHFFFAOYSA-N 511.645 6.135 50 10 KKGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97915137 ZPRUMFGTIXQTID-QHCPKHFHSA-N 526.302 5.903 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100185836 VIIWKZVJIKPUAC-UHFFFAOYSA-N 570.322 6.134 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 100238880 XUXRTKWLWLSKND-SCRDLHCBSA-N 550.793 5.633 50 10 KKGE N#C/C(=C(/O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 100989944 VQASJVWOMKZVMS-FXBPSFAMSA-N 517.326 7.801 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@H](C)C2 101193759 ADXHNCNJCCAGIR-LUYJPIOASA-N 529.445 7.162 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C2=O)cc1OC 101339226 MYSVGZAAOSVHLC-TWKHWXDSSA-N 602.691 6.179 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341024 ZLKBYDCBZMIILB-OVVQPSECSA-N 554.672 5.587 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(Cl)c1 101363126 YXZGRTUNICSSFV-KRWDZBQOSA-N 605.088 7.810 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 101368976 TXGHSGROGVEQEP-JBEBIEQOSA-N 539.357 5.188 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 101369091 MRDZYXVRORIAAU-CBZJRKILSA-N 563.448 6.172 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369320 JIWFIEGDIGUKEW-LJAQVGFWSA-N 535.512 5.590 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381866 NRFDCWHKGSDTLO-XMMPIXPASA-N 594.492 6.164 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386332 PJNVSYLFBACWOD-UMSFTDKQSA-N 625.121 7.428 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389284 LDCRALMNMFHOJQ-PMERELPUSA-N 571.004 6.894 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101392769 MGPBSNKSRKBSNE-HHHXNRCGSA-N 544.991 6.548 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1 101392934 ZELWSQVFLRPABM-LJAQVGFWSA-N 603.458 7.027 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101393146 CTBULVYLVJOLPK-NDEPHWFRSA-N 589.113 7.878 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 101647177 QWCMFJKUBPOBHD-ZXPTYKNPSA-N 554.872 5.980 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccccc1Cl 101712177 KOKGRDYJISSDCL-VTNSRFBWSA-N 579.878 6.886 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1 102400724 DRPRUFCNMMBFLY-RGEXLXHISA-N 502.979 7.051 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102932833 KOEQAXUETAEFGR-ZSOIEALJSA-N 539.844 5.411 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 103649423 WEWVJBQQKMKWSA-BKUYFWCQSA-N 564.892 7.274 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1 103806402 OXQIEFVIZGWPNH-WCMJOSRZSA-N 609.645 5.929 50 10 KKGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103878631 XNBRFHJJULMLRK-KCSSXMTESA-N 546.023 5.821 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 103879218 GMZZOSRODLSSDC-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 103880349 CCFFJXQCEGQXEN-XICOUIIWSA-N 550.058 7.458 50 10 KKGE O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 104661456 GTCMTQWIURMJCY-UHFFFAOYSA-N 554.606 5.170 50 10 KKGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)C1 105096521 PHPIJWJXDIZVDV-ATEJDMMGSA-N 584.138 5.424 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 105677856 YXMXPMVWBZUUDH-BHGWPJFGSA-N 582.670 6.116 50 10 KKGE C[C@H](Br)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)[C@@H](C)Br)cc2)cc1 111911773 RJDVNPRXIDAMFH-HDICACEKSA-N 586.317 5.423 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Br 150496904 FEENRWYPRNURAB-ZMOGYAJESA-N 623.463 5.832 50 10 KKGE Brc1ccc(Br)c(C(Br)c2cc(Br)ccc2Br)c1 161079619 WIYQXPZJDLUNPS-UHFFFAOYSA-N 562.719 7.221 50 10 KKGE COc1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 198691549 FSMYBJNUACFVBL-UHFFFAOYSA-N 513.553 5.965 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214249523 ZCEMYNBXKHVOOO-RHANQZHGSA-N 546.602 6.258 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214260045 PEEIQFSLLXEYFL-GJDRTLBCSA-N 542.639 6.509 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214298714 ZEYYUUALVSURIG-JLPGSUDCSA-N 506.562 5.304 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214324691 DXHIUPFOKMBPQW-UTZZCCADSA-N 524.646 5.423 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214336468 LOCCJQZVSNNREU-YUFMUSMESA-N 584.720 7.626 50 10 KKGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 252611725 IMHDPERLNVXWSR-HXUWFJFHSA-N 544.243 5.685 50 10 KKGE COc1c(C=NNC(=O)COc2cc(C)ccc2C(C)C)cc(C)cc1C=NNC(=O)COc1cc(C)ccc1C(C)C 252642261 ZKIKXBCGXBZRPI-UHFFFAOYSA-N 586.733 5.925 50 10 KKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1c2ccccc2cc2ccccc12 254393837 SXMSSMRYBYXDPB-UHFFFAOYSA-N 500.674 6.379 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1c(Cl)cccc1Cl)c1cc(O)cc(O)c1 254490169 QAMPOODWTZTPJJ-UHFFFAOYSA-N 510.171 5.510 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254500704 GNIUQDSPMATTBG-UHFFFAOYSA-N 565.699 6.342 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 254765579 ZUQGWJNBYZEXNI-UHFFFAOYSA-N 539.588 5.335 50 10 KKGE Brc1ccc([C@@H](Br)c2sccc2I)c2ccccc12 382531348 WGBFCKZLRQDVNT-CQSZACIVSA-N 508.016 6.753 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616586603 YNSAEGWMTLLJAR-NDEPHWFRSA-N 526.914 8.246 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1 616592550 BZCAUOHQOZGTIF-MUUNZHRXSA-N 507.772 7.134 50 10 KKGE c1ccc(-c2cccc(P(C3CCCCC3)C3CCCCC3)c2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1 642813924 GEBWRZNYGPPPDI-UHFFFAOYSA-N 610.762 10.551 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)-c2ccccc2[C@]32c3ccccc3-c3c2ccc2oc4ccccc4c32)cc1 642813925 GELHFNVUHNTHKD-QLKFWGTOSA-N 590.662 9.688 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 725385742 GCJRFIZPUWOQIU-PMERELPUSA-N 543.092 6.286 50 10 KKGE O=[N+]([O-])c1cc(Br)cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 725444168 OCIXEGBWCIVANV-CRAIPNDOSA-N 501.162 5.008 50 10 KKGE Cc1nc(/C(C#N)=C\c2ccc(F)cc2)sc1N=Nc1c(Br)cc(Br)cc1Br 1081822525 ODWHTTOMSPNZFV-AVTJUOECSA-N 585.094 8.358 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 1083971307 RJACUWQKXDLASH-UHFFFAOYSA-N 560.423 7.085 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084006185 IFDRSQHRTHVBKY-UHFFFAOYSA-N 617.986 6.438 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1084011819 GZBAHPKNUZVRBI-NDEPHWFRSA-N 547.051 6.443 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 1084162151 HYOPZUATOMALJM-UHFFFAOYSA-N 612.674 5.505 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084241811 UMKNLDWNJMRZFD-UHFFFAOYSA-N 609.082 7.756 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1ccccc1OCc1ccccc1Cl 1084262657 NGMJFWWPDUBUMW-UHFFFAOYSA-N 500.824 6.024 50 10 KKGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084337233 IUKBCSGKOHLIDF-UHFFFAOYSA-N 556.655 5.397 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(Cl)cc1 1084440025 RHXUTIYPZSEKGM-UHFFFAOYSA-N 552.650 6.217 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N 1084526462 YXLVTXTYCYETMP-UHFFFAOYSA-N 666.519 7.281 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1084645671 MZZTUBVZYLAAML-UHFFFAOYSA-N 582.686 5.652 50 10 KKGE CO[C@@H]1C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](OC)C[C@H]2CC[C@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H]1O[Si](C)(C)C 1307318212 MRNFTOVSUTVVDY-MFIPHWAUSA-N 986.370 8.040 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538165 YHFMMZUOMCRTSB-RTYCRPBZSA-N 521.295 10.208 50 10 KKGE CCCCCCCCCC[P+](c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 1616047786 YURUTOKGQWMBMP-UHFFFAOYSA-N 532.777 7.319 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747987 UHAFWVZJYHXUBF-UHFFFAOYSA-N 548.242 6.137 50 10 KKGE O=C(COc1cc(Cl)ccc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752445 MTBGBAQOFOCLDX-UHFFFAOYSA-N 567.654 5.855 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(Cl)cccc1Cl 1772760364 GHLSAWCTAIYBRR-UHFFFAOYSA-N 516.406 5.965 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@]12C 1848665442 HQCIIKWOMRRRPN-KXXKIMOPSA-N 521.624 8.723 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684707 WERTUWJBDCHUJZ-SANMLTNESA-N 549.428 6.682 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCCc3ccccc3)c(OC)c2)cc1 1865687767 ABLLUFXDLUIVAT-WJOKGBTCSA-N 570.649 6.396 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689898 GAHHDVXHWAXTTN-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865691041 HSMTVKPQKWUTFA-MHZLTWQESA-N 524.596 6.143 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865691971 GNVLBULZPIVOOF-XMMPIXPASA-N 569.475 6.191 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865692172 JXYBHQRHTPSHBK-RUZDIDTESA-N 571.475 6.707 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(OC)c1OC 1865693456 VVNBDCNXDSENDE-HSZRJFAPSA-N 514.969 5.437 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695946 ASXSIFIDSXUGDB-JOCHJYFZSA-N 541.421 5.411 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698528 WJONWWGOTFZUII-JOCHJYFZSA-N 539.430 5.220 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701148 NHIGTRCITXLOPE-IBGZPJMESA-N 523.342 6.416 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704106 NJGNELAEIQIQKN-HHHXNRCGSA-N 552.556 6.901 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865704782 DOSFSCVLPUIWKQ-AREMUKBSSA-N 561.425 5.993 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705649 AXKUSRXTMGBVRW-QHCPKHFHSA-N 548.386 6.040 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866673991 PPFYFWHCUQJBGA-MUUNZHRXSA-N 584.654 5.066 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c2ccccc2)cc1 1866876501 HTRUXKZBNPMIIL-NOZRDPDXSA-N 515.664 5.094 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1OC 1868321316 ZDRVAGMEMFEEJA-AZGAKELHSA-N 553.688 6.488 50 10 KKGE CC(C)(C)c1ccc2c(c1)C(=O)CCN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433328 IGTATDMHCPNZFA-UHFFFAOYSA-N 540.092 8.136 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)\c2ccccc2)cc1 1872744682 CUCZUWDOBQGJHB-JOFVZQBISA-N 505.426 8.159 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4OC)cs3)cc2C1=O 1872759580 SYAPUDGTXIHYDR-RPIBDXEDSA-N 519.579 5.180 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCCN1CCOCC1 1872782754 TXOIYFMNGKXPKR-ZXVVBBHZSA-N 523.658 6.261 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(C)c1C 1872792634 JANOHLCZBUYHLM-CIAFOILYSA-N 521.469 8.386 50 10 KKGE Brc1scc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924569985 CLZMDVQUYJXTOC-BYPYZUCNSA-N 653.673 8.106 50 10 KKGE FC(F)CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924570178 GENWBSPLPNMCPK-QMMMGPOBSA-N 531.880 7.297 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3c(s2)CCCC3)c1Br 1924601115 VHVZXGRABAZEDP-SNVBAGLBSA-N 549.973 7.460 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)n1 2005278419 IWXQYARKDZJALX-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCOC1 2025783961 XXNFRIXNAFRCLW-BLTYZCFWSA-N 512.261 6.053 50 10 KKGE C[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2085494904 GIKMYLLPPNIUTD-XIGBOZDYSA-N 526.288 6.584 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2085494958 GTXPAEGBEGIAIO-GFCCVEGCSA-N 522.256 6.966 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1I 2086021803 BUEGTIRVQOFYQZ-CQSZACIVSA-N 544.850 6.609 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 2112344142 IMLHHWYBSFBTLJ-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE C[C@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141468078 GFIJBKPELALVSQ-FBCQKBJTSA-N 552.248 7.605 50 10 KKGE CC12CC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141468868 ONTNMYNKAZJTAC-HIFPTAJRSA-N 582.750 6.742 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2206408872 MADOBKGSIDROIV-CYBMUJFWSA-N 662.154 7.809 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(C)c(I)c2)s1 2224630841 VFLACJSPBVALDX-CYBMUJFWSA-N 516.036 6.054 50 10 KKGE Brc1sc(C[C@H](Br)CN2CCCCCC2)c(Br)c1Br 2230051994 VIJNYGXZIKFMKQ-VIFPVBQESA-N 538.969 6.218 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ccncc2Br)cc1I 2256339428 SHFCAHHNHCTENT-JTQLQIEISA-N 501.387 5.781 50 10 KKGE Fc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1I 2278108823 WHWSBHRWESFYQM-LBPRGKRZSA-N 532.035 6.953 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1 2294619906 KLYVEFWMWSZUJB-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccc(CC)cc2)c1 2295680573 KTKQMKHPWAAURS-UHFFFAOYSA-N 532.662 6.744 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296646493 DBGSJDWPYBTDJP-UHFFFAOYSA-N 691.332 6.081 50 10 KKGE CCc1nnc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)s1 2297321211 FYFYCAVZIHWPPU-UHFFFAOYSA-N 508.654 5.310 50 10 KKGE Cc1ccc2nc(C(C#N)=Cc3cc(Br)cc(Br)c3OCc3ccccc3F)[nH]c2c1 2313543954 UYIXMZZJYDBCRL-UHFFFAOYSA-N 541.218 7.179 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)cc1Cl 2313570640 BPFWCUGODHCJMO-UHFFFAOYSA-N 562.280 8.162 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2313631865 XMVJIYUBEBHSHO-UHFFFAOYSA-N 511.361 6.166 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 2313724503 CXVSROOBXPOPNZ-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2314438699 ASFKIPCZCBIJTB-IBGZPJMESA-N 545.134 7.953 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1OCc1ccccc1 2314450079 VUOCTTMDJSYVBO-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C1 2314475896 FEWNGVNCCGVVKT-ZEQRLZLVSA-N 586.739 5.544 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1Cl 2314476440 OPIXUIMODHGZHA-UHFFFAOYSA-N 515.017 5.291 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2314482380 JNQHKIBLRXYVJA-YTTGMZPUSA-N 543.095 8.883 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314592629 YYNDTUCUGYCGST-MUUNZHRXSA-N 509.675 6.800 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592791 BUZOWZGJDPORHG-NSYGIPOTSA-N 586.035 6.671 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593935 WCBSVFJFVABLPB-MNNSJKJDSA-N 523.702 6.676 50 10 KKGE CCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 2314617428 YDFPCGMJLILCTH-UHFFFAOYSA-N 518.610 5.116 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 2314619564 BMCIOVPSEXNSDB-UHFFFAOYSA-N 654.148 5.006 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 2314640789 ZMYMLODLZWGSSV-UUWRZZSWSA-N 591.107 8.053 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c2ccccc2)cc1 2331339055 CESCPYPTKMTMMH-UHFFFAOYSA-N 500.623 8.395 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 2331351022 KQNRLSOYDYSMPJ-UHFFFAOYSA-N 506.668 7.644 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336048101 RBGZISWBOLZCGI-LJQANCHMSA-N 502.580 7.444 50 10 KKGE BrCc1ccc(Br)cc1OCc1cc(Br)cc(Br)c1 2337070670 HDLZKGVUYWYXAK-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2338022458 WTLSEUHNUWIHPN-AWEZNQCLSA-N 531.933 7.472 50 10 KKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2367602325 ROUBJKLKXAFIDA-RBSFLKMASA-N 518.027 5.147 50 10 KKGE CC(C)CCc1nc(N2CCCN(C(=O)C(C)(C)CCl)CC2)c2cnn(-c3cccc(Cl)c3)c2n1 34769161 RHYDZUOCCUMLDF-UHFFFAOYSA-N 517.505 5.361 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686486 VUYNJNJFUUMGSF-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 58891461 IEXANRUHQVMHQU-KPHTWCJLSA-N 517.025 6.435 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 58894069 OYPXVALFCHVXRK-LCVHJTKWSA-N 514.981 5.429 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 59260867 PEYZCIOVEKTAFZ-FDAWAROLSA-N 520.618 5.151 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@H](C)CC)cc1 100186810 WKKXNHHLAKHCBM-GOSISDBHSA-N 564.546 5.636 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242531 SEJIBMCZGCHVLK-HVBJHMBASA-N 575.996 6.093 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245213 MJGPYBHPGVXATF-BPDFDMIXSA-N 511.647 6.076 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101333739 JGVUJFNXOHUOFT-LPYMAVHISA-N 501.384 5.302 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380804 VIYOKWCJPOLLME-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382805 OXOHMAVLVOSQPP-HKBQPEDESA-N 569.013 6.130 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383725 UNFDGAZLYJVNBN-PTRALIJHSA-N 548.570 6.250 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384610 XQEUKGFYJLFOJS-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388407 MBTNNTLWXLDRBV-XIFFEERXSA-N 609.122 8.053 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101397264 YCJUUSIFSFCMLF-MHZLTWQESA-N 559.087 7.870 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(F)(F)F)c2)cc1 102347344 BFFVCRGYAGBUPF-ODLFYWEKSA-N 528.552 6.802 50 10 KKGE CC(=O)Nc1ccc(NC(=O)CS/C(Nc2ccc(C(C)C)cc2)=C(/C#N)c2nc3ccccc3s2)cc1 102929837 XUEOKDLERIPYCE-COOPMVRXSA-N 541.702 7.054 50 10 KKGE C/C(=N/NC(=O)CSCc1ccccc1Br)c1cccc(NC(=O)c2cccc(Cl)c2)c1 103896142 ZDTLYWNSKAKLEU-NTFVMDSBSA-N 530.875 6.128 50 10 KKGE O=C(CSC1=NCCS1)Nc1ccc(SSc2ccc(NC(=O)CSC3=NCCS3)cc2)cc1 105527990 JVQMKQBBYKYFQM-UHFFFAOYSA-N 566.846 6.035 50 10 KKGE COc1ccc2cc([C@H](C)C(=O)N/N=C/c3c(SC)sc(SC)c3/C=N/NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 150357540 MEUVMYLFGUPQHN-PTROFISMSA-N 684.909 8.023 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485376 SAFOFIFRPVKSLR-UMSFTDKQSA-N 659.566 8.587 50 10 KKGE CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1/C=C(/C#N)C(=O)O 150660248 FOELOZKDLHJOHT-JYRXYQGCSA-N 955.478 19.211 50 10 KKGE C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cl)c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 169678863 ANKMRGNSZGYTEK-VANUSSGQSA-N 553.490 5.112 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 206399430 AIRZTABURXCDAP-OOAXWGSJSA-N 560.650 6.229 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214407062 PQZJIVGPCRKKHM-QXPFVDMISA-N 588.683 7.430 50 10 KKGE N[C@H]1CCCC[C@H]1N(Cc1ccccc1P(c1ccccc1)c1ccccc1)Cc1ccccc1P(c1ccccc1)c1ccccc1 215766031 GEZITKLHMKZYMH-ACEXITHZSA-N 662.798 7.475 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 234796000 FNQSGIDCWDGYEF-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)c(F)cc1F 235860264 RRHQGGZLILZJBO-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254442776 ZQNVDYITTJOEQR-UHFFFAOYSA-N 549.656 5.721 50 10 KKGE Brc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 381884318 BHOOLMLMTUFGPY-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Cc1cc(C[C@H](C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(-n2nc3ccccc3n2)c1 504131726 MVXYHJAJOQMEFE-SANMLTNESA-N 722.345 9.333 50 10 KKGE in-vitro CC[Si](CC)(CC)O[C@H](CCCCCO)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504497665 SYROFTQISVVUNL-GMTSZFNJSA-N 641.058 8.827 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616585857 FQRQNBZZSNQKEG-UYBNZTOESA-N 781.016 9.435 50 10 KKGE CN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1 725237946 ASNPTVLUPHXJPW-DHLKQENFSA-N 594.055 5.950 50 10 KKGE CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C2(CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239106 WWLOWVWWYJCRSX-BWKNWUBXSA-N 657.155 5.587 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1 725412501 ADTKMEHPUYEXFW-UHFFFAOYSA-N 560.561 7.671 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1 1083953788 UQBQGXZLJVFUTH-GDLZYMKVSA-N 601.616 6.065 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084042239 XTVKQZNPGPZRJF-OVCLIPMQSA-N 599.081 7.782 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084107915 DOHAPCZVQAOAGP-UHFFFAOYSA-N 506.773 5.193 50 10 KKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084347478 MSDQDAQZLPOUIP-UHFFFAOYSA-N 590.547 5.833 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12 1084439257 WFTNWTUDOIUTEY-WGOQTCKBSA-N 594.509 7.327 50 10 KKGE C[C@H](Oc1cccc2ccccc12)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084447734 RAXRMQHOVSHZPM-IBGZPJMESA-N 503.396 6.099 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2)cc1 1084543447 RYAHPLKUBJMCCE-XQNSMLJCSA-N 516.428 7.526 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1 1084602777 WGHVHFSQOBWHKI-LICLKQGHSA-N 579.221 6.731 50 10 KKGE O=C(OC[C@@H]1O[C@@H](Cl)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1085210878 XVLSIQHWHHLLPV-WBADGQHESA-N 584.235 6.219 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1c[nH]c2ccc(Br)cc12 1565517942 AGWVUFYELSMKCE-UHFFFAOYSA-N 531.439 5.421 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614617612 RNKPUVKCIOJQFI-QAPCUYQASA-N 557.272 6.511 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614693548 NCVJYQCIKISLRL-WMLDXEAASA-N 545.171 5.145 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc(Br)c1O 1772719758 STVYFOYGAZUZAK-UHFFFAOYSA-N 569.253 6.295 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749102 WQUOMTZYGZSOHT-UHFFFAOYSA-N 568.427 6.742 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749144 XGGJCZPDFQIMFE-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE CN[C@H]1CC[C@H](O[C@H]2C=CC=CC[C@@H](C)OC(=O)C[C@@H]3O[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@H]2OC(C)=O)[C@H]3OC)O[C@@H]1C 1775955316 MGIACLJTFQJLSW-LAHAEMFESA-N 985.339 5.741 50 10 KKGE in-vitro COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865687455 ROJCMPVWYQTEOP-YTTGMZPUSA-N 568.677 7.021 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865688026 GVYBTHDEVRKZMI-PMERELPUSA-N 555.638 6.439 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865694907 FJZGGSCVEKHZCW-SANMLTNESA-N 561.013 6.025 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865695558 DTVZIDHEJUBVCE-LJAQVGFWSA-N 550.659 6.734 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865697081 WMLSQGCCGWNAPY-VWLOTQADSA-N 507.034 5.943 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704029 LCDNPFMBNMCELA-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CC[C@H](C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958121 XTUWYCJYDLGJFE-IZZNHLLZSA-N 536.053 5.698 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](CC(C)C)c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867110500 UDWBAVSXIMZPDH-GIGWZHCTSA-N 561.679 6.210 50 10 KKGE CSCC[C@@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867198638 WJENVEYPKMHRKB-HXUWFJFHSA-N 559.511 5.405 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414340 LLLHAPXQCMKWNW-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4c(C)ccc(C)c43)n2)c1 1868506198 UDLYNMHFWJRPNE-IBGZPJMESA-N 507.663 7.416 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@H](c4ccc(F)cc4)C3)n2)cc1 1868527723 GZMXVZAYVQVKGD-MHZLTWQESA-N 540.668 6.491 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C1 1868544778 KDOHVJXZBYUNCR-JOCHJYFZSA-N 549.744 8.487 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)nc(-c3cccnc3)n2)cc1 1868564778 FDMXKKFZKOJKJP-PMERELPUSA-N 530.632 7.147 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872750026 SZPLGDJWHUQQKP-LNVKXUELSA-N 518.551 5.376 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 1872754357 OTKFALNYPYGHKG-LULRDMADSA-N 515.635 6.066 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OCC)c1 1872755252 FESQOIAZHYDUCW-ZYNBKEAPSA-N 505.423 7.174 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2nscc2Br)c1Br 1922893968 IYWNHEPSSHXDTA-LURJTMIESA-N 510.896 6.285 50 10 KKGE C[C@@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924586186 VDIUXKZZNNTDFI-XVKPBYJWSA-N 517.906 7.275 50 10 KKGE Cc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924586397 XHTOJPIHWLXEBO-VIFPVBQESA-N 517.906 7.023 50 10 KKGE Cl[C@@H](Cc1cccc(Br)c1)c1c(Br)sc(Br)c1Br 1924595458 ZGRJWXMQWLIDRE-QMMMGPOBSA-N 538.324 7.321 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925597211 CAKRZBUTJYWVGU-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2094091377 SKQXZZYXKXAHBX-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673769 OKOVLQFUWZJIPE-CYBMUJFWSA-N 532.466 7.130 50 10 KKGE Fc1ccccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468017 FWYJOJWUCPDUKU-NSHDSACASA-N 580.709 7.360 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Cl 2141470472 HKKBETITTRGDAG-APIRENEASA-N 539.331 6.405 50 10 KKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(OC)c1Br 2150344178 FCZQVIGGCRVQHP-VIFPVBQESA-N 549.904 6.537 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cscc1OCc1ccccc1)OCCCO2 2156307037 SLGDCDTYZUSUBO-NRFANRHFSA-N 510.247 6.735 50 10 KKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCOCC1 2173209317 WLNNOOBRJKAHMP-SSDOTTSWSA-N 521.418 6.675 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203685668 MXADBGILWHKHIK-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397192 GLNMYOYXZHKGRR-REAJZDTOSA-N 564.259 7.605 50 10 KKGE Cc1cccc(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206402475 AYVYCZDHOIJSFI-GFCCVEGCSA-N 546.322 7.568 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)c(Br)s2)c1C 2213619378 LSZMWPWUIACITD-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)s1 2233021553 NNYZKJDYLUNUPV-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc2c(s1)CCSC2 2233977574 WEPPLTMBLGKIOP-AWEZNQCLSA-N 501.078 6.686 50 10 KKGE Cc1cc(Br)c([C@H](Cl)Cc2ccc(Br)cc2Cl)cc1Br 2237453782 CMYVAVLRWOUYGP-OAHLLOKOSA-N 501.871 7.459 50 10 KKGE O=C(c1ccc(Cl)c(I)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2248260021 JTQRGPYEMPLRNZ-GOSISDBHSA-N 518.620 5.761 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278022407 ORALDGAKALLODO-CYBMUJFWSA-N 545.941 7.735 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(I)ccc1Br 2288344144 GQFOOLAFRCXKNA-LLVKDONJSA-N 645.699 7.341 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288377689 ZKXNMQCNOXHICF-SNVBAGLBSA-N 537.822 5.953 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293198152 AKHBLMOVUQMKHU-QFIPXVFZSA-N 556.844 6.307 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Cl)c2Cl)cc1 2293335485 JUVWBAIGVBAWIN-UHFFFAOYSA-N 509.437 5.761 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1cn(CC)nc1C 2295672629 DRUWHEIKWUIUIR-UHFFFAOYSA-N 513.417 5.425 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C 2296545537 YLYNJLONDRWJIM-UHFFFAOYSA-N 558.642 5.590 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(I)c(Cl)c2)s1 2300997385 HJPWFIJHVLMABA-SNVBAGLBSA-N 573.846 6.748 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312747837 NCKUKYKAVKQTTF-SZACMFPPSA-N 523.910 6.287 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(F)cc1 2313565373 ZQBCJOLTOZAGMH-UHFFFAOYSA-N 542.348 5.241 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2313567830 LTKPTQXBTVKMRB-UHFFFAOYSA-N 515.824 7.479 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591635 AFOKHCAZVICCGF-VWLOTQADSA-N 570.036 7.349 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592039 KLBZZWDSFFYIDM-XMMPIXPASA-N 537.563 6.169 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592482 VIKNJHWIXPEPMS-RUZDIDTESA-N 535.591 6.696 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314611486 VGVMMVKMIQNAQS-XMMPIXPASA-N 556.666 6.818 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 2314611489 VJJXIMZTLSNIOG-IBGZPJMESA-N 529.040 6.372 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314617225 TZGKAOGEUKNWDD-UHFFFAOYSA-N 554.650 6.513 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(Br)cc(Br)c2)C1 2315454048 SPSIHVKLXBINTB-SFHVURJKSA-N 589.106 5.933 50 10 KKGE N#CC(=CNc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599060 OAIKNDGJDSGKDW-UHFFFAOYSA-N 501.428 5.202 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2325204786 HUWPCBKJJHZGDJ-UHFFFAOYSA-N 501.974 5.001 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(CC)cc3)n2)cc1OCCC 2331293527 VIWAESRVBWQMOP-UHFFFAOYSA-N 506.668 7.602 50 10 KKGE Brc1ccc([C@@H](CI)OCc2c(Br)cccc2Br)cc1 2366145142 NXEVKYRGLIAGIG-OAHLLOKOSA-N 574.876 6.667 50 10 KKGE Clc1ccccc1C[C@H](CBr)Cc1ccc(I)c(Br)c1 2377353163 NXMWBEHFHZCYKZ-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE Cc1cc(Br)c(CBr)c(OCc2cc(I)ccc2Cl)c1 2380354463 ZMOMUCZQOGCTGB-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE CC(C)c1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc5c(c4)CCCC5)csc3[nH]2)cc1 2614502 LFQXYRJRPKPRCB-IPPBACCNSA-N 516.692 5.896 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 29491676 XEGVEJGKTCOTIR-LYBHJNIJSA-N 569.687 5.514 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1 33855365 IVGWYODORVGCGL-QNJFXAKOSA-N 504.011 5.722 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1Cl 35447392 OPIXUIMODHGZHA-CJLVFECKSA-N 515.017 5.291 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38683069 GYRMFCLVYCQPGE-PMERELPUSA-N 512.606 6.191 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1 38684704 HOAFHSCUYFRBMG-LJAQVGFWSA-N 512.606 6.338 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38687557 PHNHRUOUMLCWKE-GDLZYMKVSA-N 522.601 6.974 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701012 HLWYNUGGCZYRQN-MUUNZHRXSA-N 508.574 6.530 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38701341 LLIBTMYHPGDUCT-QHCPKHFHSA-N 502.979 6.391 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC 59116630 SHAGXEUGJKAUHD-DHDCSXOGSA-N 500.418 5.604 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 59116877 LDPAGEIDTXIDPU-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE CCc1ccc2c(c1)/C(=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)N2 59165743 LHPIZGFAPVJQPF-UHFFFAOYSA-N 511.645 6.081 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1c(O)ccc2ccccc12 100061880 QRCYUGSIEIVWRN-RPPGKUMJSA-N 528.200 5.753 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 100238561 PIFVFVQKUVEZTC-NYFJFQCHSA-N 555.469 5.789 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C1 101014184 NQJVJZDNONBYCG-LHZDPGHSSA-N 562.699 6.146 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 101339973 VEBCQTOGQIDLLH-AJBULDERSA-N 572.665 6.519 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101340816 WWWHLMCFEQUGIE-UZWMFBFFSA-N 611.101 7.564 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101375502 RREARBGVRBCBHA-YTTGMZPUSA-N 591.104 7.209 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611658 PQXSTDADMHVSGM-TWKHWXDSSA-N 548.393 5.354 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 101766312 XALQFAIRFNEFNO-XAZZYMPDSA-N 594.333 7.170 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 102685514 BXOSPFNECNZGLU-SDXDJHTJSA-N 545.393 5.502 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 103735618 DLDUSDXOGQVNBU-OCSSWDANSA-N 556.579 5.161 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1 103878138 ILVKKKKGXXHAFZ-UVHMKAGCSA-N 558.226 6.309 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2 103880570 GSOCBLSFHPLNFQ-XODNFHPESA-N 521.440 6.179 50 10 KKGE N#C/C(=C/c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2[nH]1 104968992 ZTMXBZALIGVLSP-XFFZJAGNSA-N 514.133 6.320 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc1 150370680 GCSBSXZUCYKHKF-PKRYOZTKSA-N 688.376 6.576 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 163264094 NPUSDDZHECLFJF-NQUVTRGKSA-N 623.776 8.266 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)c2ccc(C)cc2)cc1Br 164602212 XPYIHEBKSXIIKS-QXUDOOCXSA-N 634.596 7.049 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 205782194 VEJZVKMQDKNKSY-CPVAOEHFSA-N 630.682 5.211 50 10 KKGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 211643299 SZGZTKOCRREDQF-FCMKFZPZSA-N 539.496 5.333 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O[Si](C)(C)C)cc4CC[C@@H]3[C@@H]1C[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C 231131753 MCKRDIGCTGOZEH-GUWNOZFNSA-N 504.936 7.807 50 10 KKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254462194 GFVXJLCOHHOSEO-UHFFFAOYSA-N 520.541 5.454 50 10 KKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254497598 LASQJDUOMAWQLH-UHFFFAOYSA-N 558.682 7.079 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 256017601 VXDHWAFDBVPFPF-UHFFFAOYSA-N 507.612 5.547 50 10 KKGE CC1(C)CC(=O)C=C(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)C1 256019760 CIXBEJMQXLVNBN-OCBCSQNSSA-N 527.091 5.488 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Br)cc1 256028304 DVFZQNOJGQFMRK-UHFFFAOYSA-N 569.506 5.798 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccccc2I)c1Br 306118791 YBXFAPNYRPOIIT-SECBINFHSA-N 525.953 6.618 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)c(Br)c2)C1 382703229 DKEXKEDEFHHYGO-HZPDHXFCSA-N 518.164 5.375 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2I)C1 394514559 GJNYWTHBCWQQRB-WBVHZDCISA-N 547.174 5.078 50 10 KKGE Cc1cc(C[C@@H](C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(-n2nc3ccccc3n2)c1 504131725 MVXYHJAJOQMEFE-AREMUKBSSA-N 722.345 9.333 50 10 KKGE in-vitro CC(C)[Si](OCC(=O)[C@]1(O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C)(C(C)C)C(C)C 504170633 DRHJQOZLRXWLKW-QXILRXNJSA-N 707.129 9.020 50 10 KKGE CCCSc1nc(Cl)c([N+](=O)[O-])c(=N[C@@H]2C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@H]32)[nH]1 504666081 WBFXPSFPBVVGNJ-FZCLSBEQSA-N 563.193 5.074 50 10 KKGE C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1Cc2ccccc2-c2nn(-c3c(F)c(F)c(F)c(F)c3F)c[n+]21 888086702 HJAFOPLNPJKHKQ-DEOSSOPVSA-N 592.664 7.415 50 10 KKGE C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]43C)[C@H]1CC[C@H]2CI 1076432071 VJCWEUYDXCVIJK-CETQRZTNSA-N 500.505 6.992 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817494 HKOFRLLVGWKTHV-FCMAGTKHSA-N 560.801 5.253 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083944866 MRUYIIOKXSUVGU-UHFFFAOYSA-N 523.214 5.893 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1083986912 XIOZJLIXRBIZQJ-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)cc2)S(C)(=O)=O)cc1C 1084124461 DBZRJAWJXDLBEY-UHFFFAOYSA-N 619.143 5.704 50 10 KKGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084167667 VUPPQJSHGAKMMM-UHFFFAOYSA-N 672.317 6.136 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc2ccccc12 1084219395 ZUSTVEAHTIUIOJ-UHFFFAOYSA-N 565.673 7.957 50 10 KKGE Cc1cccc(COc2c(I)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1 1084245714 WFGDBCHJFNHCSV-UHFFFAOYSA-N 751.406 8.313 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084356831 RIYQUCUILHBSMF-UHFFFAOYSA-N 631.585 7.560 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084369078 DOPHKTICLDUNFO-HSZRJFAPSA-N 526.818 5.517 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084416091 RQEHKQKJHMAXRH-QHCPKHFHSA-N 556.413 5.299 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084533683 WVSURKZVIXHGJG-VGOFMYFVSA-N 501.151 5.172 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084641391 XCVNEVQYHQIKIZ-FYJGNVAPSA-N 581.841 6.271 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c(OC)c1 1772743997 NYHHSOCHEKXUFK-UHFFFAOYSA-N 526.387 5.090 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745296 VWSXYYCZESAPSQ-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(Br)c1 1772755582 NACBETQHSSIAKK-UHFFFAOYSA-N 539.470 6.217 50 10 KKGE CCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665412 HNLMHAUNUCSDSQ-FZDBBNTKSA-N 549.678 9.503 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865684670 VJPHNNZVXBGPRB-INIZCTEOSA-N 511.287 5.189 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685993 PFCDECIWJTYKAQ-XMMPIXPASA-N 531.443 6.749 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688664 YBZGQCWXPHZTQR-GDLZYMKVSA-N 555.078 6.983 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OCC 1865691389 QQLOGMJBICYSDG-NDEPHWFRSA-N 508.622 6.384 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692394 FJVGYSYDZPYGNI-GDLZYMKVSA-N 541.611 6.049 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693405 OBAFRPGXXMEHRW-NRFANRHFSA-N 509.404 5.213 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1OCc1cccc(C)c1 1865705836 GURXOJRVYSUZTM-HSZRJFAPSA-N 566.967 6.659 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706132 OLIPFOBJGZMTGR-JOCHJYFZSA-N 544.365 5.437 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865706946 JQPGVFBVBPUKIF-UMSFTDKQSA-N 573.700 7.937 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866781751 QNAVHTQWUFBUMV-CLJLJLNGSA-N 507.606 6.374 50 10 KKGE Cc1cc2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867170476 BTFJGISFUPGGGV-DEOSSOPVSA-N 542.690 5.159 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868300349 CLBAXNWGPZDVQR-HHHXNRCGSA-N 539.108 6.842 50 10 KKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccc(Cl)c(Cl)c1 1872729168 QZXIUOFWFCDSNG-LICLKQGHSA-N 513.333 6.325 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872751955 IVVNPULJEMOJJL-FSXJBPCSSA-N 503.849 7.610 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c2ccccc12 1872795074 LQFQSIPRFILKEN-CJLVFECKSA-N 509.030 8.268 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 1873793625 TXKXGLPKOLLBHS-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 1924570235 GUROVYCGBWKUHB-SSDOTTSWSA-N 525.907 6.590 50 10 KKGE COc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924585067 GWEVUBFKQSINJW-VIFPVBQESA-N 519.878 6.529 50 10 KKGE COc1cccc(F)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595638 BVRQFIXJSUSZKM-VIFPVBQESA-N 537.868 6.668 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924599266 DVXYJTSHMYVFTN-NSHDSACASA-N 545.960 7.817 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924613003 FVHCCEFFRRUADR-RXMQYKEDSA-N 521.816 6.814 50 10 KKGE FC(F)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995046791 BCVGMYLSJPWXMH-SSDOTTSWSA-N 510.167 6.579 50 10 KKGE ClCc1c(Cl)ncn1-c1cc(Br)c(I)c(Br)c1 2006598676 ZQRWGOSIQGWKJN-UHFFFAOYSA-N 510.782 5.394 50 10 KKGE CC(C)CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780127 PECGWNORZCMAFI-SSDOTTSWSA-N 556.756 7.609 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1C 2039503308 OAYBWWSDFLYPTI-SECBINFHSA-N 537.962 7.507 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCO[C@H]21 2085493308 AKSJBKVAIFXUJK-UZYIRCRESA-N 524.272 6.051 50 10 KKGE COC[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494802 NTNGSKDXOPYAGT-DFEJBLNRSA-N 526.288 6.299 50 10 KKGE Cc1sc(C)c([C@@H](Br)c2ccc(Br)cc2I)c1C 2086154877 YDHTYYUKJRNYDR-AWEZNQCLSA-N 500.037 6.525 50 10 KKGE CN(C[C@H]1CCCN(Cc2ccccc2)C1)c1c(CBr)ccc(Br)c1Cl 2098117327 OKTIWJYEYXLPGZ-QGZVFWFLSA-N 500.706 6.346 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)CC1CCOCC1 2123198237 AIMCWSLMUMEEEQ-UHFFFAOYSA-N 523.312 5.023 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2scc3c2CCCC3)c1Br 2130576658 RQEOTGPGQVCZAD-SECBINFHSA-N 549.973 7.460 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2138848865 BUOYFUBOEDWYDV-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CC[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141470793 KWUHDSVPURZZEP-DYEAUMGKSA-N 548.285 7.698 50 10 KKGE FC1(F)CCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471985 YPLRYRUHRQFIRI-MLUIRONXSA-N 590.720 7.608 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@]23CCC[C@H]2C3)c1Br 2141474363 ZSOACAHFTVKDHN-WLGBHJCYSA-N 580.778 7.753 50 10 KKGE CC1(C)CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CBr 2185808405 RKGOLPZHQBWSQX-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 2213682830 YMQVGSLATKCVSX-ZETCQYMHSA-N 523.935 7.198 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(I)ccc1F 2218799171 SIWDUHCNDQAKNN-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Cc1c(F)ccc([C@H](Br)c2ccc(I)c(Br)c2)c1F 2231076033 JCPJMNWHYKAIQX-CYBMUJFWSA-N 501.934 6.125 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1I 2264369648 YPDHTNOGNJFBQD-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE CCc1nc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2278011029 JCAXXQBQSPHBQU-JTQLQIEISA-N 502.116 6.991 50 10 KKGE Cc1sc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(C)c1Br 2288491968 ZUWUDAOYSQKSPB-NSHDSACASA-N 509.435 7.259 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c(OC)c1 2294917435 DJEMXXGVUZUMNM-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1C 2296719409 NHFCYCIDLWXORC-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2297458698 WUVGIJZBPWGONJ-XMMPIXPASA-N 601.353 6.541 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc(Br)c(Br)s1 2299530314 KWMYWUKQRKDBHL-KRWDZBQOSA-N 595.976 8.099 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2cc(Br)ccc2Br)s1 2300954599 AAARGHAUBDONSJ-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 2314476346 NCSGFXWVLOQLLY-UHFFFAOYSA-N 665.193 5.495 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)cc1 2314478623 PSPFSORUUPSHST-UHFFFAOYSA-N 531.637 6.765 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 2314616656 GLFMGWSQQCLWFG-UHFFFAOYSA-N 584.632 5.934 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314617086 QKYFSCCPYKBNAU-UHFFFAOYSA-N 526.564 5.257 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618586 QBWDWEPOAWJSJA-QFIPXVFZSA-N 514.585 5.901 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 2314634857 WCTTXOGSSWWSCA-PMERELPUSA-N 526.589 5.576 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1C 2331259249 GWDRIBUORTUGEH-HXUWFJFHSA-N 519.623 5.028 50 10 KKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311776 WXCOCINQSBWEHB-UHFFFAOYSA-N 509.258 8.104 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)c1Br 2338860959 ORPDCLPFYPTEHT-SNVBAGLBSA-N 536.287 6.107 50 10 KKGE Clc1ccc(I)cc1COc1cc(Br)ccc1CBr 2352425837 LMZUGKDFEBOCPD-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2358265166 MHTILAHWXYDWCL-INUHIWTGSA-N 594.761 6.596 50 10 KKGE Clc1sc([C@H](Br)c2cc3c(cc2Br)OCCC3)cc1Br 2369616423 RETILBJQHODQFO-CYBMUJFWSA-N 501.465 6.736 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)c(Br)c3)cc2)c1 12492711 HVJFTFHWJUQRET-UHFFFAOYSA-N 508.416 5.382 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 40514532 PLQQNUAKLOJQCK-PCLIKHOPSA-N 524.596 6.002 50 10 KKGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Oc2ccccc2)cc1 40795593 XSABITHXXPFUPB-UHFFFAOYSA-N 511.369 5.424 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc6ccccc56)c(C)c43)coc2c1C 40826702 SIRSJPQKJBCQIA-JJNGWGCYSA-N 519.601 6.756 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1OC 40927078 STROMDHQGQXZEN-XQNSMLJCSA-N 519.667 7.111 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1 100154545 IKJQGEIMTNOGBZ-UHFFFAOYSA-N 512.676 5.114 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100190822 LGPACXINJKLDPP-UHFFFAOYSA-N 589.556 5.342 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 100327872 PAVYMSIPJBEIQA-HVXFLFEHSA-N 613.279 6.150 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034101 ITIJZRLGWLZXGX-OVCLIPMQSA-N 570.251 8.310 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244206 FMKDDCDHMMVUGS-DXRMUPHSSA-N 550.511 6.914 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101335590 OFHSACBWQPCIFI-WPWMEQJKSA-N 538.648 5.511 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc(C)c1Cl 101362549 RLPLNODBMZJNBA-HKBQPEDESA-N 567.041 6.738 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101367008 FFCCHJZCZLFSOY-MHZLTWQESA-N 534.996 5.567 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101378108 HJZYGUAHLQOEIC-RBBQXQBVSA-N 568.714 7.750 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385291 SJLYHIVNLSIXQZ-MFISVEIKSA-N 600.715 7.717 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(C)cc1 101387904 TTXBYWQTRBKBNX-PGUFJCEWSA-N 590.676 6.792 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)oc2c1 101390916 ZMXKEEVHNLDGSS-WJOKGBTCSA-N 542.591 7.066 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 101393633 LREAGUNBQGFSSR-DEOSSOPVSA-N 549.352 6.089 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101393862 JHOIOZCQMLVDIP-RUZDIDTESA-N 529.390 6.504 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101398991 BIHBQHPMPGXFDN-AJQTZOPKSA-N 576.605 5.546 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)cc(NC(=O)/C(C#N)=C\c3ccc(OC)cc3)c2Cl)cc1 102919385 GGKBIPKEQWSXPO-YZLQMOBTSA-N 580.950 6.467 50 10 KKGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 105626906 ORRMJBDVNQSDTD-VYYCAZPPSA-N 528.790 5.434 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3[N+](=O)[O-])cc2)cc1 107249377 OPGRCOARPKXRFP-UWUAKSLZSA-N 587.673 6.465 50 10 KKGE COc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)([C@H]3Br)C4(C)C)c(OC)c2)ccc1NC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 150422484 LTVFROHJLRLMRS-MVFXJRBUSA-N 702.528 8.427 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 150432115 ZPBVARLZSXNWQK-APTYXWLQSA-N 636.914 6.285 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1Cl 150464123 RDUHEZRHRGPIMD-RUZDIDTESA-N 741.238 9.397 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1 164016174 OEAZZVFZMUEQLL-VWJSQJICSA-N 636.542 7.987 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1 164609728 MKRXFHWFUSWFSL-KKMKTNMSSA-N 701.096 6.747 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 221681529 AQLURWHBCUUICR-ZSJZCDTDSA-N 710.852 7.267 50 10 KKGE CC[C@H](C)c1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 234020108 DPIWPTZGHGBSHC-APPDUMDISA-N 508.035 7.052 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 235816685 SREJXKJXAZWMOE-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2Br)cc1Br 235822428 SUGCRJXQDQXBSX-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 236248385 VQMNGOFCUIDVGI-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE O=C(c1coc2ccccc12)[C@@H](N=Nc1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 250621676 PHIWJQOQUDDZBS-UMSFTDKQSA-N 570.565 7.628 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc2ccccc2c1 252616621 KBZKSJQATFQVAG-HXUWFJFHSA-N 541.080 6.317 50 10 KKGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 254515424 CRAHLYONVLGEJM-VXKWHMMOSA-N 541.677 5.533 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 254848489 JRNRETGCHYHUEI-UHFFFAOYSA-N 603.722 5.372 50 10 KKGE CC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 256019288 RQZQGTLBNZHIKM-JEBQAFNWSA-N 522.075 5.514 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCN4CCCCC4)cc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616589794 LCGCTFBLCJOHMA-FJPNVKARSA-N 890.093 8.077 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 725432824 SIEKEPWMKCNDQJ-QFIPXVFZSA-N 674.704 6.092 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 725444516 WWSSFJDQCSNYCV-LZYBPNLTSA-N 566.666 7.543 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817661 WUWBJKZWDLYUSB-NBCLCUQJSA-N 684.943 5.808 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1 1083996750 MVMSVGLBHOZMSH-VWLOTQADSA-N 604.339 6.462 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c2cc(C)cc(C)c2)cc1 1084034960 UIKQDYANQWDIRR-UHFFFAOYSA-N 576.118 6.190 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 1084074487 JZZHKINQVDSLSD-VCHYOVAHSA-N 556.800 6.534 50 10 KKGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084159961 DVIDHMNMUCWQBK-UHFFFAOYSA-N 651.501 6.162 50 10 KKGE O=C(NN=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2cc(Br)ccc2o1 1084162897 FIDHJJAZQAFKJX-UHFFFAOYSA-N 522.402 7.115 50 10 KKGE O=C(Cn1cc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)c2ccccc21)Nc1ccc(F)cc1 1084188973 CGOJPMZMKOJGTQ-UHFFFAOYSA-N 588.231 5.414 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084216832 SKXKAYVSMXSIBO-MKMNVTDBSA-N 605.530 8.841 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1 1084331640 XTDZSTDTJJIYPO-PTGBLXJZSA-N 502.412 5.284 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 1084443110 ILRUSPPMYBZLTN-UHFFFAOYSA-N 502.634 6.213 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1 1084500051 PHFJSTNOBMYZJA-UHFFFAOYSA-N 614.646 5.476 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084536845 ZTMCNGWRHCECCZ-KGENOOAVSA-N 581.854 5.845 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(F)c1 1084578558 NGFZNODJJBGAES-MHZLTWQESA-N 569.471 6.258 50 10 KKGE O=C(CSc1nc(O)c2cc(Br)ccc2n1)N/N=C/c1c2ccccc2cc2ccccc12 1088710183 ZLBJELOIPXWKIJ-UVHMKAGCSA-N 517.408 5.647 50 10 KKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)cc1 1772744529 FLYCPCCGCAWRJT-UHFFFAOYSA-N 505.618 6.209 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 1865681991 CPOSRADSKLFGPA-VWLOTQADSA-N 509.396 7.217 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865687643 WRKLCOFWKJKNEZ-SANMLTNESA-N 560.576 6.373 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690198 LDJNBADZRKWGQZ-FQEVSTJZSA-N 537.369 6.654 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698055 IYKUYSSDBZEKNB-QFIPXVFZSA-N 557.876 6.255 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(Br)c2O)cc1 1865701321 SFHDKUMWRWOBAR-OAHLLOKOSA-N 570.163 5.648 50 10 KKGE COc1ccccc1NCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866893121 YXQZLUDUYOOVPM-DEOSSOPVSA-N 520.680 5.127 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975936 VQPFOAHBZKERRA-RPBOFIJWSA-N 552.494 5.834 50 10 KKGE Cc1ccc2c(c1)nc(/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)n2C 1872728067 MOMSNQVHPDUPIP-WOJGMQOQSA-N 527.249 7.594 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c1 1872744301 LSDQLRWSZFRXPL-LCUIJRPUSA-N 507.571 5.607 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1Cl 1872755732 CEMBJZSVLWJZQD-QNGOZBTKSA-N 517.394 6.584 50 10 KKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1O 1872792851 UTAGYEWTAYGEOF-QDEBKDIKSA-N 512.212 6.666 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 1872793289 SBFCUOCQNVNLCU-CJLVFECKSA-N 504.696 8.148 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)n1 1872794924 DOLZRBZKXZIODW-VIZOYTHASA-N 519.848 7.095 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 1873795246 UYVFPEUXAONULZ-AKLYFZKISA-N 508.018 5.505 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2sncc2Br)c1 1899885748 XWCYRIDYPDLCJY-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1Br 1915310586 YFUTURYAXRLMKM-INIZCTEOSA-N 509.329 5.738 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055328 RVWHSVKFVOZVBE-SECBINFHSA-N 538.324 7.482 50 10 KKGE Cc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585347 KRADAULEMYZVGZ-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Cc1c(Br)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924594171 KVLPAKVVVNZZIE-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2C[C@@H]2C2CC2)c1Br 1924611761 FKRPLBOLZCZPDJ-XLPZGREQSA-N 507.911 6.908 50 10 KKGE COC(=O)C[C@@H]1CC[C@@H]2O[C@H]([C@H](C=CI)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1 2054663962 MIEJSEPCTMXSCI-UAOXLJAASA-N 771.011 8.984 50 10 KKGE FC1(F)CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2057461124 ORCKTCBRPWMPPF-SSDOTTSWSA-N 531.880 7.297 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061009502 XMSCGAAHYUJGLL-XQXXSGGOSA-N 523.910 6.429 50 10 KKGE Cn1c(Nc2nc3c(O)nc(=N)[nH]c3n2[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)nc2ncc(-c3ccccc3)cc21 2080517795 QFWQJWQPTWUGTJ-UODIDJSMSA-N 718.024 7.336 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cccc(Br)c2Br)c1C 2082885349 QAYPZNMUQRUJFM-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(I)sn2)cc1OC 2120033378 SHKGCHJYYUCZJD-LBPRGKRZSA-N 518.996 5.012 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)cc2)c1Br 2136378457 DCKDMZQASBBQJZ-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CCc1cscc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470665 JFQQYJFGKIGQAV-ZDUSSCGKSA-N 552.351 7.689 50 10 KKGE Fc1cc(Br)c([C@H](Br)Cc2ccccc2I)c(F)c1F 2143867815 HKNBWYNCKYADOK-MRVPVSSYSA-N 519.924 6.150 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2145956533 KZOUAIYYKHZUBZ-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(I)ccc1F 2169665352 XRKIEYFMIGWPCR-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE CC1(C)CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CBr 2185804784 BFLPQWCDDJFMPN-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(F)cc2I)c1Br 2201080608 ZIGSQYHQEQZFMB-OAHLLOKOSA-N 532.416 6.900 50 10 KKGE Cc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)ccc1I 2207106019 WGEMCHMJBRTNCC-INIZCTEOSA-N 507.991 5.781 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2218597332 LQATWYXOMRKSGL-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2I)c1C 2218794259 OFOSEZXNDWZWRW-LLVKDONJSA-N 564.906 6.979 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)c(Br)c(O)c(C)c2O)cc1 2297321714 JSQCHSDRLSEHBB-UHFFFAOYSA-N 579.495 5.245 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571073 MQPMUEIMQHETFE-UHFFFAOYSA-N 542.249 8.578 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1 2313631869 XQQSXHPIFQICIV-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314441899 CTPKZEBPSWMLBW-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl 2314476705 UGAUQWSOTSGTBE-UHFFFAOYSA-N 518.038 6.628 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592345 RLMWLVVADHOSPD-XMMPIXPASA-N 554.455 6.076 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 2314611294 SLJFNUIUENMNNR-UHFFFAOYSA-N 512.585 5.715 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618319 LGSKYYGGDJIGCJ-UHFFFAOYSA-N 557.474 6.378 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314618634 QTBOQBPLXXQWPL-UHFFFAOYSA-N 595.634 6.445 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 2314618686 RUDWZVQZNPCRRE-UHFFFAOYSA-N 552.675 6.044 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 2314643343 UMCPIYRWRUIEFU-YTTGMZPUSA-N 617.460 7.557 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314750988 ITDSUVNXNPKETE-HXUWFJFHSA-N 522.557 5.585 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 2314785148 VCDRWLDIGZWBEL-UHFFFAOYSA-N 526.633 5.829 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(I)sn2)c1Br 2315448315 YVZQVBUDSZNHKG-MRVPVSSYSA-N 590.275 6.550 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccccc1F 2328821221 HZVNKYFLEJNKAJ-UUOWRZLLSA-N 501.599 5.193 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)cc1C 2331382734 BBMSTPYDQUJPDG-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Cl)c(Br)cc1F 2338705380 MZTKZSWKTUFJDY-MRVPVSSYSA-N 540.250 5.984 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2338859076 BQGNRVKEOCYLFN-VIFPVBQESA-N 517.841 5.201 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 33347174 UBJNLJZNRMUNFN-LTGZKZEYSA-N 523.054 7.278 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4ccccc4)c(OC)c3)n2)cc1OC 33751879 MCKGWVXOGTZCNB-LPYMAVHISA-N 512.587 6.162 50 10 KKGE CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2C(F)(F)F)/C(=C\c2ccccc2C(F)(F)F)C1 34262881 JSCZXWWZAWREOE-PNLXHIIUSA-N 505.462 6.205 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38650768 TWVUHLBDZJVYDI-MHZLTWQESA-N 504.970 5.721 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Cl)ccc43)c2)cc1 38686629 NANHSCCVWJFRSR-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 40530034 VFBFHRKFAMYXLO-WHLCRQNOSA-N 516.569 5.986 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40650223 GOLXGUDRSABNLR-UHFFFAOYSA-N 509.353 5.710 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813457 KPUAGCZSWZSZMO-MWAVMZGNSA-N 516.941 6.026 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1OCCC(C)C 40944731 AOWPFWPTNUFFPQ-JJBVQLCTSA-N 514.578 5.555 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 58894887 CUQNHZYCFAURIA-DVMDLWDRSA-N 529.008 5.819 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 100237826 ZTXXMXJXNHHDPN-ZYMKGWJUSA-N 622.887 5.895 50 10 KKGE C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921715 HQTPQCQTDUHGQA-WXLQFUEISA-N 552.120 6.179 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 101115661 ZPSQPSVSKHFYNW-VBKFSLOCSA-N 524.886 6.013 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243648 CDIQGLBDCVAPNZ-KRZCOAGDSA-N 552.483 6.306 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101337555 GAEXJTZRFYMEOZ-XDQFAZSOSA-N 573.609 6.200 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362309 PMJLVNHXLUHFDR-WJOKGBTCSA-N 530.624 7.000 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101363727 QDGSPVYLNKVRBD-QHCPKHFHSA-N 546.204 5.958 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101367676 CANXBIQSAJHPLI-AREMUKBSSA-N 539.415 6.618 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369330 ZDTBCYVNWPNHNI-WJOKGBTCSA-N 532.596 7.095 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 101375603 MHNYPEMDBGAAMR-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1 101377774 JHUCDDRDMNJDCE-OISAQCFMSA-N 543.063 7.526 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383444 YLQJVGNVRYUCMP-MGBGTMOVSA-N 581.068 7.245 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386244 XGAYPBAGMVBWDK-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(C)cc1 101387663 PLTURQGZKITVQP-HKBQPEDESA-N 611.492 7.173 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399297 QAVVVDPHEOBNMI-HKBQPEDESA-N 593.035 7.420 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OCC(=O)Nc1ccccc1OC 101571672 HPECGBHTLZNPIS-UYRXBGFRSA-N 580.435 5.428 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615157 SQBFHRFXVCMWET-KNBZMSCYSA-N 549.226 6.104 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 101727535 RQGAYVHUCQTXSG-LQKURTRISA-N 532.131 7.064 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 102685473 WWHKSUVSIKDJDJ-VKAVYKQESA-N 501.340 5.103 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)Nc2ccccc2)c1C 102924683 VLISUKPTVFRFTN-HMMYKYKNSA-N 528.659 6.894 50 10 KKGE CC(C)(C)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1 103079681 KKEGRSUKRVGQNZ-UZYVYHOESA-N 551.618 5.776 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(=O)OCC)c1C 103631375 VZBXCTMPFCNWFT-JLHYYAGUSA-N 536.462 6.817 50 10 KKGE CCOc1ccc(N(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1 105445767 YVAASOTVHVPRTM-NVMPUMLXSA-N 587.698 5.409 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1 150428681 QOFNWFWHDHKTBU-WIQDYGPDSA-N 651.339 6.304 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 150462738 XCKUAVNWPHUCJA-YTTGMZPUSA-N 627.491 6.548 50 10 KKGE CC(C)[C@H](Br)c1nc2sc(Br)c(Br)c2c(=O)n1Cc1ccccc1 168670190 ZORDHXGRQRUFNB-LBPRGKRZSA-N 535.099 6.123 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780360 JDNYGDJOURATHQ-KWAQJPELSA-N 662.768 5.562 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 214313322 VWZAKYZMLGYVPK-QRQIAZFYSA-N 529.600 5.516 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214434779 GBUQMBHJACPHQF-USHMODERSA-N 584.698 5.213 50 10 KKGE Cc1c(Br)cc(C(C)C)c(OCC(=O)NN=Cc2cc(Cl)cc(Br)c2O)c1Br 252625513 QLRPYBCWHLZODC-UHFFFAOYSA-N 597.529 6.294 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(-c4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 252674740 SKXOOEQKFLLKQD-HKBQPEDESA-N 534.644 5.195 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(N=Cc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 254297328 PUJXINXFOMHVCL-UHFFFAOYSA-N 747.589 6.272 50 10 KKGE COc1cc(Br)cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3)n2-c2ccccc2)c1O 254705816 DPAJBZNRSCTEPI-MRXNPFEDSA-N 707.392 5.592 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254817001 OFXXZIQDMXOSAF-UHFFFAOYSA-N 567.727 6.190 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cc(C)c(C)cc1C 256028365 HLXIIJQRYYXPSH-UHFFFAOYSA-N 546.718 6.350 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616589342 XJHPFJYSMMSOCC-BQLMCVHDSA-N 940.168 10.093 50 10 KKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705615507 GXZLIZWJXWACPP-IBGZPJMESA-N 589.880 6.551 50 10 KKGE O=C(c1cc(Br)ccc1I)N(CCBr)c1ccccc1 714534756 XYEMVQIXQCEHAL-UHFFFAOYSA-N 508.979 5.095 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C(C)C)CC[C@@H]3[C@H]12 725237937 ACGBOECNYDQJMR-GOAGQACJSA-N 703.137 9.623 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(N=CN(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 725400551 RQXRLANMGPTUJP-UTESLAMRSA-N 955.183 9.728 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 1083943399 CTBGUZZMCVBGDM-UHFFFAOYSA-N 593.061 5.557 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1083948539 ZWNHXLAQFFNWEL-OAHLLOKOSA-N 637.526 7.066 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1083987619 SIOIWDKATHYPDY-NHCUHLMSSA-N 603.657 5.938 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1 1084032820 VBSMRKHUIMTOFQ-OVVQPSECSA-N 582.498 6.446 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(Sc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)o2)cc1 1084083896 PPQKWHRVQNKDCG-UHFFFAOYSA-N 559.651 6.528 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084095427 CVVSTDRQLGXMPC-UHFFFAOYSA-N 552.639 7.498 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1C 1084097672 BIVCQKJCEQKGLM-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084098269 QSZKAUIGBLCQGX-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 1084104725 SKKBYZHNLGYTNB-JOCHJYFZSA-N 580.704 6.408 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(Br)c2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084257151 GRKFKRXMULCCOM-UHFFFAOYSA-N 609.340 5.346 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1084266674 KXESTIPALDFEEO-GDLZYMKVSA-N 526.633 6.180 50 10 KKGE CC(C)c1ccc(C=NNC(=O)c2nn(Cc3cccc(Br)c3)cc2Br)cc1 1084280835 PCPUCHUPPJLJOF-UHFFFAOYSA-N 504.226 5.344 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 1084330518 NMEXVTADWBOMFN-UHFFFAOYSA-N 558.704 5.142 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CSCc2ccccc2)cc1 1084502771 UIHXZVOKVAXTRV-UHFFFAOYSA-N 511.603 6.371 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 1084602890 VFNXFQGUUPQHBQ-UHFFFAOYSA-N 515.379 5.729 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1 1084629498 BSVGVFKVXGRJCZ-HHHXNRCGSA-N 551.481 6.119 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 1084651095 MRWUQNVTSDEIHL-XMMPIXPASA-N 519.400 6.074 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1Br 1084654758 LPXIPZFFAFORSZ-UHFFFAOYSA-N 566.477 5.098 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749553 MYELRXHANHJZTM-UHFFFAOYSA-N 598.270 5.512 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N(CC)CC 1772754882 ANGRQLWHHCQAFZ-UHFFFAOYSA-N 561.129 5.352 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 1772756435 YLLBKWRMCUQXPC-UHFFFAOYSA-N 515.835 6.163 50 10 KKGE C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@@H]1C=C 1857779495 UWQYUGYTYHVMRT-DYODPOTPSA-N 835.153 5.232 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865689143 LEEYMSAUGOGDFF-HXUWFJFHSA-N 518.923 5.619 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)c1 1865692855 GGRRQFGBIZZMSX-SANMLTNESA-N 510.569 5.753 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693170 HXOQGEOIOORBRC-MUUNZHRXSA-N 541.051 6.674 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865696130 KCGPLDBAMIEHTB-INIZCTEOSA-N 560.157 5.943 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865696952 LWVYVUMOYHNMNR-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701169 OFLVHYDHKKQJHH-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701537 XPQAGDJUSVUWOY-SSEXGKCCSA-N 563.057 7.047 50 10 KKGE CCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867218091 CTDJDXCNFNVIMA-SXOMAYOGSA-N 536.097 6.757 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc(-c3cccnc3)n2)cc1 1868565509 MAWTZOJJTOXGBP-UHFFFAOYSA-N 532.633 5.299 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1 1872746069 PVFMCNRBDUMNLF-ATJXCDBQSA-N 516.044 5.597 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1OC 1872756125 DHXHHSFVABUIGN-DLZCECKCSA-N 503.624 5.328 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)sc1Br 1924585106 HNRKKVJFANNKPI-YFKPBYRVSA-N 653.673 8.106 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CCCCCCC2)c1Br 1924589832 FYEGQARQBKLSJA-JTQLQIEISA-N 523.954 7.832 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc(Br)c1Br 1925547510 UVUHSPOZIKQCBH-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(Br)sc2Br)ccc1I 2026133217 RMZWARKIGJFTNN-LLVKDONJSA-N 506.428 6.514 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2031481138 CFVFBOYNFOKHCB-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(OC)nc(NC(C)=O)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2037828309 BIWZKQDWICJCRR-RNXATEBOSA-N 956.167 9.768 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2I)cc1 2053612877 SCAAMMZATGTYJF-UHFFFAOYSA-N 744.121 7.000 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1sccc1I 2085641768 GZQZAQXNISOHGX-NSHDSACASA-N 502.009 5.917 50 10 KKGE COC1CC2(C1)CC([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2100346107 OFSVMXMYZWFAOE-OMLQMCLNSA-N 537.937 6.677 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCC12CC2 2141468221 HPJBSGLJAREDMC-UHLUBPPHSA-N 536.327 7.597 50 10 KKGE CC[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141469488 AVIRSFGSGBFAOL-SSDLBLMSSA-N 592.736 7.854 50 10 KKGE CC(C)C[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469871 XLRLBAJAOJTKCK-WGZSSWNPSA-N 538.343 7.699 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)cc1Br 2145956102 JMNQHMHETNVZNE-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1I 2146630364 WKYGBZZAPUMABY-CQSZACIVSA-N 528.409 6.126 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2198737375 ONIOQWKHPJXUFA-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1Br 2218801565 WCLMDGKMUDPUTN-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE CO[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2220513356 JNQIZEMRFBBKDJ-RHFNHBFPSA-N 570.739 6.598 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2221004794 RDQGWQACSDVTAI-VIFPVBQESA-N 521.938 7.442 50 10 KKGE Cc1ccccc1[C@H](Br)Cc1sc(Br)c(Br)c1Br 2222471686 MAHUKKCDJJHCLV-SECBINFHSA-N 517.906 7.023 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232511642 QWLVMWHSEGMIPT-LLVKDONJSA-N 542.707 8.310 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 2293225770 WKMVNCAWJSKIAI-UHFFFAOYSA-N 557.448 5.696 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1 2294171822 BEOKPPRQZHRXPC-UHFFFAOYSA-N 574.431 5.482 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314448235 GHAPAGZPCPZBSP-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 2314477957 DGFMLXZNLVSFFF-UHFFFAOYSA-N 545.042 7.626 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499954 IQHXOLYBEFGVLK-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618733 SOPNDIFBUQTDAH-UHFFFAOYSA-N 560.570 5.034 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Br)c1 2314634068 IVPAKBPTOWASOH-XMMPIXPASA-N 542.216 6.593 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1Br 2314634469 WBOXIZBVSBGXRS-DEOSSOPVSA-N 542.216 6.593 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1OC 2314634533 GWEVNUWTDRBGEY-RUZDIDTESA-N 523.372 5.848 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634715 CMULYUMJXZCSMP-HKBQPEDESA-N 522.645 7.000 50 10 KKGE N#CC(=Cc1ccc(F)cc1)C(=O)Nc1c(Br)cc(Br)cc1Br 2329638761 HHHZJKAHIGCZPV-UHFFFAOYSA-N 502.963 5.659 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(Br)c(OC)c1OC 2331340271 SCRLWRWXFSCFSS-UHFFFAOYSA-N 515.429 6.672 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)cc1Br 2343413890 YOCAUSGZOMWCHO-HNNXBMFYSA-N 570.141 5.169 50 10 KKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1Br 2365182186 ZCZDAQMYZDXDRB-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE Clc1cc(Cl)c(OCc2cc(I)ccc2Cl)c(CBr)c1 2380521024 BSBXCUKHBHFPCE-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1Cl 2373267 KMORUQHOFFOHIP-LBFDQWRISA-N 502.039 6.330 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccccc4)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 15773748 COHTUFDWCJVAPO-GQCRFCPSSA-N 504.590 5.823 50 10 KKGE COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(CN4CCOCC4)c(C)cc3C)C3=C2CC(C)(C)CC3=O)cc1 20344613 HIVCWTGOILXUNA-GDLZYMKVSA-N 526.681 5.085 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)cc1 38679246 LEXAMWHEOYHJOZ-MUUNZHRXSA-N 512.562 5.486 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccs3)CCC4)ccc21 40823666 BRNHNAIWOICKHV-NJZRLIGZSA-N 510.619 6.500 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244852 AGIHOSKJWQVLFO-MIXNUDJGSA-N 522.457 6.675 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245226 FNXKQVLMASLEDF-JUEFXSDASA-N 552.483 6.766 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101340759 QONUVAUCGLSZLB-STBIYBPSSA-N 591.111 7.328 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378598 HQNHEZPYLPVHIZ-WJOKGBTCSA-N 532.596 6.410 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5Cl)ccc43)c2)cc1 101382001 UHACFTUOPUWAIC-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382423 QWFSBHKXWCHMOJ-PVAZPRTOSA-N 560.650 6.728 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385327 ARSNORQSHLCWCJ-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385389 RUQBCROSUVVTSL-XIFFEERXSA-N 597.067 6.747 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101395909 NVKBJWKHNAWDBA-JSOSNVBQSA-N 570.642 6.008 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 101398390 UNOXUMDIXQPSEG-NDEPHWFRSA-N 607.877 7.672 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1C 101727166 GSDGSFPEJSHCQL-FJEPWZHXSA-N 596.572 7.101 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1 102007040 VXXCJTLRGFPLIM-LUOAPIJWSA-N 536.893 7.078 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(Cl)c2)c(OCC)c1 102350005 HVMCMHUXFDGBDD-MTJSOVHGSA-N 553.080 7.225 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(=O)OCC)c1C 102924530 UQDXKKUQSZLJDS-RVDMUPIBSA-N 502.017 6.163 50 10 KKGE Cn1c2ccccc2n2c(C(=O)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)nc12 104217271 TWPVDOIAGWUMAL-UHFFFAOYSA-N 550.622 6.670 50 10 KKGE CCCCS/C(S)=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 109470341 USYXLYSNVXMWPE-KTMFPKCZSA-O 528.703 7.000 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463853 XIDNJIDPXKONPS-IVODXGOLSA-N 690.822 6.424 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 150484955 ZCQAFRDSKKUKOR-SSEXGKCCSA-N 631.523 7.909 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 163809373 ZOAWFAWKDMGXNT-ODNPBWNPSA-N 781.388 7.703 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1C 214224977 FGVNWCBCMFKAOR-ITYLOYPMSA-N 506.606 5.805 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C2=O)cc1 214394701 OIAZROORKQXOHE-YUMHPJSZSA-N 540.579 6.087 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214406199 JRRXXNPZHSHMAW-YUMHPJSZSA-N 502.549 5.779 50 10 KKGE CCOc1ccc([C@@H](Br)c2csc(I)c2)cc1Br 228996020 PMMUJKUDRFMFHP-CYBMUJFWSA-N 502.009 5.998 50 10 KKGE CCc1ccc(CC)c([C@H](Br)c2cc(I)ccc2Br)c1 234183892 JHSODCIOPBWPDB-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 254291739 OUHNEDZDYJEODY-UHFFFAOYSA-N 565.611 5.065 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc([C@H](C)CC)cc1 254742738 RYPYSEFDPKBWRN-GOSISDBHSA-N 528.700 5.459 50 10 KKGE CCOC(=O)c1sc(NC(=O)NN=Cc2cccc(OCc3ccccc3)c2)c(C(=O)OCC)c1C 256017555 SHDOERQCQRNIEL-UHFFFAOYSA-N 509.584 5.145 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(I)cc2c1OCC2 380125798 RTQBPLPACYUTLP-CQSZACIVSA-N 528.409 6.126 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616589956 QCJSYZSJARHGIB-QRZOQVTHSA-N 620.903 8.306 50 10 KKGE ClCCc1nc2cccc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705620009 WUADEWZNXZNAEP-UHFFFAOYSA-N 524.890 6.052 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 725427182 OUSAAMFKCXEYHO-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 725437832 BGSMEQQSDGMXKP-VWLOTQADSA-N 634.365 6.552 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1cccc2ccccc12 1083954472 JFTZHXWAOVRPOV-UHFFFAOYSA-N 647.391 6.946 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1 1084022115 PIADNRMLWVDCEM-XMMPIXPASA-N 559.432 5.538 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 1084083292 NUVRUZMIJHLYRB-UHFFFAOYSA-N 572.467 8.242 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(F)c1 1084106920 HCEWRACKTYYSHR-UHFFFAOYSA-N 637.243 6.681 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084144756 KYOKXDKLIWAHJA-UHFFFAOYSA-N 688.143 7.848 50 10 KKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084183941 BKSWPEHCVOJJDO-YVLHZVERSA-N 502.195 6.881 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1084402921 COIFMBWUECFJOM-XMMPIXPASA-N 556.413 5.299 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1084454677 AOAYZLJKFURVKI-UHFFFAOYSA-N 574.806 5.467 50 10 KKGE COC(=O)C1=C(C)C(/C(C)=C/C#N)=S=C1N=Cc1ccc(C=Nc2sc(/C(C)=C\C#N)c(C)c2C(=O)OC)cc1 1084593494 RDGOEDVBMMITKZ-XQKXKUPYSA-N 570.696 5.948 50 10 KKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084626953 LGCQFKFTKJFSKR-JYRVWZFOSA-N 529.161 5.717 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749381 KJXGXNVZOUQSSU-UHFFFAOYSA-N 537.403 5.931 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc6ccccc56)c(C)c43)coc2c1 1772752171 WUJDDMQCDSDUQC-UHFFFAOYSA-N 519.601 6.756 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 1865687507 SPBDNRQHABIEOM-SSEXGKCCSA-N 556.622 6.354 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 1865688087 IWFSWLQQAMKIFS-MHZLTWQESA-N 547.442 6.336 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(OC)c1OC 1865693337 VARKGYORHGYVTO-XMMPIXPASA-N 528.996 5.496 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702288 RSVPAGMJUYLADF-HSZRJFAPSA-N 503.375 6.098 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865703186 PICREUCPIHEKHD-HHHXNRCGSA-N 575.496 7.463 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704698 CEFZEGBPYPPEBJ-RUZDIDTESA-N 545.426 6.569 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865708664 CAYYRIMZZSENFC-RUZDIDTESA-N 531.443 6.694 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712486 ZZCHKPWDQFZQHW-RUZDIDTESA-N 546.549 6.298 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714013 AWVKAWFVKSAHAM-QHCPKHFHSA-N 565.413 5.796 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714686 NOXQANZSSFIHHY-DEOSSOPVSA-N 544.995 5.201 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866825932 RGVRAVGJWCLPFW-DEOSSOPVSA-N 514.632 5.585 50 10 KKGE CC[C@@H](CC(=O)N[C@@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867137134 IJCFAAVBZUBHNZ-FYSMJZIKSA-N 518.477 5.838 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415265 WCWIDDCLCKJMRX-JOCHJYFZSA-N 576.951 8.088 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@H]3c3cn(C)c4ccccc34)n2)c1 1868506172 SHQGTIBXQIRPJI-GDLZYMKVSA-N 561.671 5.638 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748363 ULTNLZBQMJSYNN-NMWGTECJSA-N 518.381 6.867 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872754284 LEWRZMGPHKLGNL-NSYNCBPISA-N 516.233 7.692 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1Cl 1923072055 MMEHQVBRYLYCNH-VKHMYHEASA-N 518.283 6.451 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1 1924583350 JAKIBJPMLBLAHI-VIFPVBQESA-N 509.927 7.442 50 10 KKGE COc1ccc(OC)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924600986 HYMMDXSKFPCJDW-JTQLQIEISA-N 549.904 6.537 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)cc1Br)Cc1ccccc1 1946826767 JNTWJNHPAZSECZ-UHFFFAOYSA-N 521.908 5.511 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Br 1995047264 FHPBRIPLUCUKBL-UKGLUQRTSA-N 542.685 5.553 50 10 KKGE FC(F)(F)c1c(I)c(CBr)nn1-c1cc(C2CCCC2)ccn1 2078923488 CBJJLRSUIAOOPR-UHFFFAOYSA-N 500.100 5.443 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2sccc2I)cc1Br 2082376418 HNZIAMZNTFINMM-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CC1(C)C[C@@]1(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496442 WQTQYKATWGIQMX-AAEUAGOBSA-N 568.767 7.609 50 10 KKGE FC(F)(F)c1sccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2101414208 PZOVMDBXBWHRNW-LURJTMIESA-N 519.427 7.444 50 10 KKGE CC1(C)CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141475064 ITIPNEHPIQMGPJ-MRVPVSSYSA-N 582.794 7.999 50 10 KKGE CC(C)(C)[C@H]1C[C@@H](CBr)CN(c2ncc(I)cc2Br)C1 2189902675 YFEGTVLWPYZTIC-QWRGUYRKSA-N 516.059 5.332 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2nn(C)c(Cl)c2Cl)c1Br 2201066419 AJQCAWZQZHALPJ-SNVBAGLBSA-N 505.863 6.353 50 10 KKGE CC[C@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206397255 HDDSZFWZUZDTJX-BDAKNGLRSA-N 598.837 8.635 50 10 KKGE Fc1cc(F)c([C@H](Br)c2sccc2I)c(F)c1Br 2220500030 SLKNESJQFZPJDW-VIFPVBQESA-N 511.926 6.017 50 10 KKGE CC1(C)C[C@]1(Cl)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2222046453 AAMPULBINHDCJW-PWSUYJOCSA-N 544.734 7.424 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)c(C)c1Br 2227358280 ZQWSJYPTWPSPQK-AWEZNQCLSA-N 515.865 6.977 50 10 KKGE Cc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1I 2232832444 BMMJZJXFXQTVGL-HNNXBMFYSA-N 522.043 7.061 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(C)c(I)c1 2232833825 FIRVHXQTBSKOAT-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Br)c(Br)cc1F 2233978213 ZBTFAZZRMLURMR-JTQLQIEISA-N 533.830 6.931 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)c1 2241001812 RNOGIDOSMGGMRY-HNNXBMFYSA-N 528.453 7.117 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1Br 2288481024 PVRISMODJGUZLA-GFCCVEGCSA-N 554.248 7.343 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2295268544 ZTRCWCBPRHMYRA-ZDUSSCGKSA-N 595.294 6.963 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)sc(C(C)=O)c1C 2296944772 JDFNDWNSKPRTDB-UHFFFAOYSA-N 550.574 5.551 50 10 KKGE CCOc1ccccc1NC(SCc1cccc(F)c1)=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2297414599 VSMJGKGADUKZHL-UHFFFAOYSA-N 535.641 5.681 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2297460644 GIPNXPDQLYGUIN-RUZDIDTESA-N 511.603 5.237 50 10 KKGE N#CC(C(=O)N1CCN(C(=O)C2CCC2)CC1)=C1SC=C(c2ccccc2)N1c1cccc(Cl)c1 2297486428 NPNCZOMVKFOPAL-UHFFFAOYSA-N 505.043 5.098 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1 2313518075 FBKAKMIUDRVSGN-UHFFFAOYSA-N 631.308 7.194 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Cl 2313521550 WHHVUIGAIGFZBP-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313568509 WHPOCGYDGDSTDJ-UHFFFAOYSA-N 587.474 5.921 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(F)cc1 2313570607 BAVSESLPNHRUQG-UHFFFAOYSA-N 564.238 7.418 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(Cl)c1 2313724589 LKXHSZLBCRCZAU-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c1 2314475701 ARZAFDCJVXFKHV-UHFFFAOYSA-N 567.715 6.204 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)n2)cc1 2314482900 YXAWPVYPQKRUFB-MGBGTMOVSA-N 522.677 8.538 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593653 QLTQBMQRUBQADU-DEOSSOPVSA-N 540.472 6.452 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 2314621013 YSUUPZSYIUGSPL-UHFFFAOYSA-N 546.602 6.260 50 10 KKGE COc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)sc1Cl 2317957569 NIIWXUCYHVDSKT-SSDOTTSWSA-N 515.901 7.087 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2337084191 IMZCJBKUPMMTRE-IBGZPJMESA-N 519.035 7.911 50 10 KKGE FC(F)(F)c1cc([C@H](Cl)c2sc(Cl)cc2I)ccc1Br 2364124774 NJYGIPZLQAPTHF-JTQLQIEISA-N 515.947 7.116 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 33380625 XYNYCEYATJYXGO-VFCFBJKWSA-N 524.624 7.281 50 10 KKGE COC(=O)[C@@H]1[C@H](CBr)N(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 33887547 IEGXNGWHVKFPCB-GOTSBHOMSA-N 508.803 5.335 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655393 IJNGYOQGFIINKX-AREMUKBSSA-N 523.416 7.000 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655592 DFJJSKOUPWBTDH-AKJBCIBTSA-N 523.416 6.708 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c(OC)c1 38657042 XJUAFYPZWAGLAO-MHZLTWQESA-N 500.551 5.176 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1 38660012 KCAONFVJURYXMW-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCC(C)C 38684222 MQEMNYOBKIGYEC-PMERELPUSA-N 528.605 5.549 50 10 KKGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)cc1 59500495 KCQIFNFSXPCZDX-NKAYLIBBSA-N 520.383 5.180 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061535 OGMBOTAUHSBALJ-UHFFFAOYSA-N 611.290 5.766 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 100163895 HQABNBZNYWYIPG-UHFFFAOYSA-N 526.456 5.244 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206279 KZCFXBAQQUUHCH-LJQANCHMSA-N 533.422 5.452 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207463 CQKJHBYMZURFEX-UHFFFAOYSA-N 554.510 5.317 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)cc1 100920154 NPXQBIWVHITIGF-NLRVBDNBSA-N 535.607 6.727 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246741 RPCMKDQNKXXJIK-NNHPPCHPSA-N 534.037 5.812 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101337511 AEXZDDGELXAYFX-TWDAMHRMSA-N 591.693 5.143 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc(OC)c1OC 101364959 BBMCOYJYJPEAJT-QHCPKHFHSA-N 527.360 5.457 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101368128 UDYPJIZCVFHOPM-SSEXGKCCSA-N 563.050 6.429 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc(C)c1Cl 101369397 HRAFWFOQINOGPR-PMERELPUSA-N 553.014 6.952 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379486 LQQVHXXCIFUQHT-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101395129 FJLPNAFPXHIRRO-OAQYLSRUSA-N 585.852 7.085 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Br)cc6c5C)ccc43)cc2)cc1 101397463 XKZQWVXEMOZHDX-WJOKGBTCSA-N 621.487 7.829 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103707018 RMOZZJSUTGIIDN-OKCVXOCRSA-N 545.089 6.318 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1 103888364 YYGSXRNGDLECGQ-NDENLUEZSA-N 525.830 6.934 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 150483467 JGTZRNTXNRHFJV-MHZLTWQESA-N 668.385 9.531 50 10 KKGE FC(F)(F)C(F)(F)CC[C@H](CCCCCCCCCBr)S[C@H](CCCCCCCCCBr)CCC(F)(F)C(F)(F)F 159686617 WQHQFCSCTUPZTN-PSWAGMNNSA-N 764.531 13.444 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 214297519 JUPNZDHJJDEPDN-DIBXZPPDSA-N 522.605 5.123 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 214385880 GLFMGWSQQCLWFG-RHANQZHGSA-N 584.632 5.934 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)c(Br)s2)ccc1I 232344727 SPMZEFCFDBGQIS-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)[C@H](CC)Oc2ccc3ccccc3c2Br)cc1 252597192 CPCRKRYLEIMMSL-SANMLTNESA-N 539.514 7.649 50 10 KKGE CN(C)c1ccc(C=NNC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 252636532 XJQOXHZIJWZYNK-UHFFFAOYSA-N 585.704 7.254 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498448 MPDRBMWFDJELIO-GXSLRGSZSA-N 742.806 13.221 50 10 KKGE biogenic C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253579455 ZQSSJTIKPGVTPI-KQPIQEFLSA-N 569.522 5.508 50 10 KKGE CC(C)[C@H](C)[C@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@@H]2C3=CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 254381980 NTJWQDRCALCUGV-VQXIQCLBSA-N 554.451 8.510 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc(OC)c1OC 254593734 QLMFQMQCDURBOR-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 256017802 SEBMXEURNISCOC-UHFFFAOYSA-N 526.675 7.442 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cccc(C)c1 256028290 CYJQDLLAPCPRQP-UHFFFAOYSA-N 504.637 5.344 50 10 KKGE CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(OC)cc1 261492833 HPWXZTHIIYWFFD-UHFFFAOYSA-N 576.241 5.602 50 10 KKGE CCOc1ccc(Cc2cc([C@]3(O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)ccc2Cl)cc1 504210201 UTFIOIDDBKLFAJ-GGJJTXTCSA-N 713.609 8.385 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 504823463 XFDOVQPSOPEMRW-BDWLHBLYSA-N 520.871 7.596 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1 725396053 WQYKNIWRXPYHMG-UHFFFAOYSA-N 609.546 5.206 50 10 KKGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 1083907656 QNZBFDFCHRPQRG-UHFFFAOYSA-N 689.675 5.419 50 10 KKGE CC(=NNC(=O)COc1ccc(Br)cc1Br)c1ccc(-c2ccccc2)cc1 1083964355 ZHSGXODAWIEXKL-UHFFFAOYSA-N 502.206 5.798 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1OCc1ccccc1Cl 1084014003 CXDKZZGOIVKBCC-UHFFFAOYSA-N 556.844 5.581 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084034070 HFQLMTJPIXDPQJ-UHFFFAOYSA-N 544.677 5.147 50 10 KKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1cc(Br)ccc1OCc1cccc(F)c1 1084047166 IXAYPMXTJGIDPK-UHFFFAOYSA-N 507.812 6.063 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 1084162835 FEAVMYLEPZYHCB-UHFFFAOYSA-N 504.345 5.199 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc(I)c(O)c4)c3C)sc3c2CCCC3)cc1 1084201937 CBDNKJLHLRFTAO-UHFFFAOYSA-N 652.558 6.669 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1084406522 ZZQJKWPIXONBNM-UHFFFAOYSA-N 582.509 6.303 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Br)cc1 1084470700 WZCKRYRCSMQTCM-HHHXNRCGSA-N 630.377 6.882 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 1084492892 LAZWXPWFMQHOBQ-ZEQRLZLVSA-N 558.638 5.828 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1C#N 1084526458 XDQUCLSWOXUMBD-UHFFFAOYSA-N 630.236 6.023 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1OCc1c(Cl)cccc1Cl 1084607557 VRPMRFUBJYIIFK-UHFFFAOYSA-N 661.340 5.230 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(F)cc1 1084640587 VBAQDJNMJASWCX-PXLXIMEGSA-N 550.428 5.432 50 10 KKGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1 1542993172 IRHPAVCNBONRKT-DCCIBLSLSA-N 665.212 5.890 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614300980 JPRVDBMEXBSKEF-UZGRFPDMSA-N 868.491 9.778 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614616456 REDHWXUGIGRKDV-CVEARBPZSA-N 500.720 5.035 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc(OC)c1OC 1772720798 YODNNPNKVHAEQI-UHFFFAOYSA-N 561.594 5.911 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772745528 AOUHHZONKMRREJ-UHFFFAOYSA-N 502.315 5.351 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccc(C)cc1 1772753999 ARKOVNREKJARRB-UHFFFAOYSA-N 562.258 5.637 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Cl)c1 1772754908 PRUCTAQLHJJGSP-UHFFFAOYSA-N 572.539 7.337 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@H]2OC 1848433409 YGXDKYAIMAMUAT-FVYKHJPOSA-N 920.311 7.460 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686366 VMUVTMJDKCUAAL-QFIPXVFZSA-N 568.258 6.835 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865694196 VNKIGESWIUORAH-RUZDIDTESA-N 543.023 6.217 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696186 YBLPVWJYUVFKCA-IBGZPJMESA-N 539.341 5.882 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865697093 WXPSFISEJZCEPN-WJOKGBTCSA-N 562.714 7.401 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865702485 AYIXTWQWYSLEMR-AREMUKBSSA-N 527.024 6.267 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702642 YCOGGYMTQLMOHY-JOCHJYFZSA-N 525.342 6.351 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865703343 UKPUPKVCOIDAOP-SANMLTNESA-N 527.024 6.267 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 1865705250 PKINYQPISIZXLV-RUZDIDTESA-N 557.404 5.389 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1C 1868433809 RDANHVUXTYDCQR-VWLOTQADSA-N 556.091 7.283 50 10 KKGE COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)c(Cl)c1 1872727379 WFYHIUBWSYBZKD-VXLYETTFSA-N 508.810 6.573 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2csnc2Br)c1 1899863646 FQHHNGQGOUSBCQ-INIZCTEOSA-N 518.068 6.731 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915075790 JHSSVMYFTPELBQ-AWEZNQCLSA-N 504.060 6.028 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1sc(Br)cc1Br 1922896370 DTMUGMDEBJUCGC-QMMMGPOBSA-N 521.869 6.853 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923068262 PBNWEXIHPLRCGB-QMMMGPOBSA-N 556.314 7.621 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@]23CCOC3)c1Br 1950635778 ZPIXADIOJFFGOE-AODONOJDSA-N 509.883 5.898 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccccc1I 2082378193 XYHLBFSZRUZRFJ-CQSZACIVSA-N 500.399 6.500 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2COC[C@H]21 2085492389 KSHJNMCQWVQIKJ-CMOFIFEBSA-N 524.272 5.909 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)cc(Br)c1 2117893816 JGFHJKZJCLUVHN-SNVBAGLBSA-N 503.016 5.325 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)c(Br)c2)c1Br 2138850553 HUBVIGTVKIJHJD-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Cl[C@H](c1scc(Br)c1Br)c1c(Br)c(Br)cc(Br)c1Br 2141469237 TXRLOZCBURXYDL-JTQLQIEISA-N 682.089 8.651 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470429 GYHKEGVYXQYOIG-KOXCZOPKSA-N 580.778 7.465 50 10 KKGE CCc1occc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477919 VHZDFPYRDVXGMK-CYBMUJFWSA-N 536.283 7.220 50 10 KKGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Br 2197754854 HMBMTNJGCDWFQG-HXUWFJFHSA-N 517.283 5.104 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 2202355332 AHAOIEFATHSWNW-AWEZNQCLSA-N 595.294 6.963 50 10 KKGE C[C@H](C1CCCCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206403216 XVOXBCZTVOFTST-OQPBUACISA-N 596.821 8.389 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCCCCC1 2206406399 ZCDYZADFBNQMKA-OAHLLOKOSA-N 552.370 8.377 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1I 2206567294 KLNVFWFHQPNXME-CQSZACIVSA-N 574.876 6.618 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@@H](Cl)Cc1sc(Br)c(Br)c1Br 2209349237 MHELYAPIFAHAOQ-ZETCQYMHSA-N 542.474 5.482 50 10 KKGE BrCC(CBr)(Cc1nscc1Br)c1cccc(Br)c1 2227092440 QCMXDLIYDIYLMS-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(I)ccc1Br 2229141614 FRXBLUYZQRFKNQ-AWEZNQCLSA-N 534.844 6.992 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)s1 2233018892 GFTHHIDVLHFREO-CYBMUJFWSA-N 594.932 6.899 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2233970672 RENGRBGWWWLGNJ-CQSZACIVSA-N 505.834 7.403 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2264364363 GMYDBIOIERTHTI-LLVKDONJSA-N 509.872 7.073 50 10 KKGE Clc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)ccc1I 2278019635 JIHLSVUVCJATBM-CYBMUJFWSA-N 548.490 7.468 50 10 KKGE Clc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278104445 YPFUFCMULHDJLK-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1 2294193393 LMSFLKXDSISSGK-UHFFFAOYSA-N 604.444 6.976 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 2296001951 LHOZSCXKPPNZJJ-UHFFFAOYSA-N 515.418 6.916 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570874 IGKKQCLPAMDZMC-UHFFFAOYSA-N 662.536 8.139 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1 2313738641 LWRIKDDEICWSAY-UHFFFAOYSA-N 531.328 6.601 50 10 KKGE C=CCN1C(=O)C(=CC=Cc2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397536 VNGHOOJOEUQFGG-UHFFFAOYSA-N 522.841 5.772 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591703 BMWVXLLOHHABBB-VWLOTQADSA-N 502.039 6.276 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314617935 DIBRMYKTDUMMAO-UHFFFAOYSA-N 559.695 6.619 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 2314618876 VWZAKYZMLGYVPK-UHFFFAOYSA-N 529.600 5.516 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314618913 WNVASWKCVVHYOC-BDYUSTAISA-N 645.785 6.313 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 2314634308 ADXXYKKPGIRLDS-SSEXGKCCSA-N 545.035 6.610 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1 2314754356 QJWTWTVUFXFJNT-UHFFFAOYSA-N 533.606 6.533 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2331123621 XWFJXPFHMNYHBE-UHFFFAOYSA-N 569.477 6.097 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1O2 2333303652 NVXCNKPVNWZNMG-CIZTUISTSA-N 538.299 6.584 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(I)cc2)c1Br 2337082862 QWSLQAMIFDITLS-LBPRGKRZSA-N 538.807 6.937 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337083498 ACUFBAKVSHRPIE-SECBINFHSA-N 556.314 7.621 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2337093350 DEFUBQXCRDPPAN-SFHVURJKSA-N 563.486 8.067 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 8454014 ZORSERDOGQJVCH-UHFFFAOYSA-N 537.572 5.329 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccs1 19926940 SMKNBDWAYINWLL-XIEYBQDHSA-N 516.626 6.403 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 38603443 ZIUUMGAHKNGATA-JVWAILMASA-N 508.622 5.885 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38650835 CCKHGQVGRMVLRG-WJOKGBTCSA-N 504.586 6.385 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccccc1Br 38678791 GYMJIYPNHSWIMN-MHZLTWQESA-N 511.375 5.969 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1)C(=O)NCc1ccco1 40926953 UVZWZCWEKYXEED-GUAQNBCKSA-N 504.542 5.701 50 10 KKGE COc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1OC 48571852 DSYOHRMYDLKWFC-JFLMPSFJSA-N 505.372 5.083 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 58889483 PZUWJAQMNGEWGG-BAAUMNHKSA-N 502.354 5.445 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 100208744 LTJXGUYFOGFWQT-GHRIWEEISA-N 592.427 7.068 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3)cc2Br)cc1 100233732 KWEOHYKCYYIFTE-WRIMGEDOSA-N 541.442 5.399 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@H](CC)C2 101193905 MKJQBRHKJBDCCP-NNIWKIFQSA-N 560.075 7.447 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 101336480 ZHKHCBYPBQUGPM-JVWAILMASA-N 561.617 6.045 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101340828 VFVBMQMPPGEWMN-STBIYBPSSA-N 577.084 7.081 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101367863 PVLXAJYSHCEGTN-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101370531 PUZFFQRVNRTZAS-VWLOTQADSA-N 535.394 5.684 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCC(C)C 101374428 YIAVRWAKAMBXJL-MUUNZHRXSA-N 534.996 5.586 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 101378836 NWAOMZAPJCXGCN-JGCGQSQUSA-N 546.623 6.800 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383795 WXWCEMIRGWCMQJ-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388572 LNOAXMSAFVEULE-JGCGQSQUSA-N 617.485 7.174 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393739 AZSBEFVGAWDQIU-SSEXGKCCSA-N 601.486 8.402 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2cc1Cl 101398409 GYPVGZZTFZHCOM-HKBQPEDESA-N 611.481 8.373 50 10 KKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 101652327 DJQQKYCOJMWPGV-MRROAGHWSA-N 541.239 6.564 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 103742756 MJCLMQTWDGGGEI-QPSWJSTDSA-N 526.420 5.875 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1 103877890 SOCWZMRECOKXFI-KKMKTNMSSA-N 609.645 6.796 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc2ccccc12 103878810 IESKSEQYLKODGE-KBVAKVRCSA-N 543.417 7.090 50 10 KKGE C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)c1cccc(Br)c1)c1cccc(Br)c1 105637091 IGAGEJXQDPLXET-RYQLWAFASA-N 536.268 5.153 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)CC1 110557415 AOGVQPBMHSQGGM-HKOYGPOVSA-N 565.724 6.634 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432835 UZPXDGQOTKFAFZ-GJRHBRKLSA-N 673.593 8.686 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462103 ZCAHSHNCQQEHJS-PMERELPUSA-N 642.322 8.082 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1 164488910 LWIAPGJYUUKWHC-QRVIBDJDSA-N 684.315 7.791 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 214225284 QXPBBLJOXYLUJH-IMRQLAEWSA-N 508.622 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214317692 JNACYYRWHPUHRM-QJJJQXIKSA-N 621.719 5.345 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1Br 234992568 WWTRBYIFEYYTBM-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 238808766 AOXWVTIMEGOVNF-RBDWEFBRSA-N 763.964 7.170 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1OCc1ccccc1 254578708 HUMQWNBOHCTGHT-UHFFFAOYSA-N 569.731 6.589 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 256018187 FKOIOPKKGBQRLE-GXBQEJFZSA-N 550.575 6.563 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 256025038 MIMJWSMERLGFQY-HKTBNGCESA-N 533.281 10.127 50 10 KKGE COc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1Br 382694861 SYWMJBAJCBCGFJ-IAGOWNOFSA-N 530.200 5.245 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CC)CC[C@]4(C)[C@@H]3CC[C@]12C 504618345 UKWGOBGGUGJZAH-FCURFHHDSA-N 551.719 10.118 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232211 FTUXKEAMZSWESO-LLFWLJHZSA-N 677.433 6.812 50 10 KKGE in-vitro O=C(NCCC[Si](O)(O)O)N1c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c1cccc2P(c1ccccc1)c1ccccc1 642814291 VBOCAVGVDSJPHD-UHFFFAOYSA-N 714.771 5.462 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1OC 1083891180 CWGNITFDWLGNQH-UHFFFAOYSA-N 609.148 5.148 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 1084018884 WVAZZSVORKTNJX-JLHYYAGUSA-N 509.130 6.404 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)c2ccccc2Cl)cc1 1084062094 KLLRIWVKQIHYPQ-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 1084189027 BTFMNGOUSQYMCO-UHFFFAOYSA-N 510.830 5.377 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 1084335921 GSLLHBMYUKKBQO-XIFFEERXSA-N 588.664 7.082 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1084356799 GUVXORDHFKNMOS-QGZVFWFLSA-N 503.451 6.602 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084363549 SUKDGIJLGNERAC-RUZDIDTESA-N 636.914 6.285 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084414247 KQFWKXJYAAYBTF-UHFFFAOYSA-N 542.919 8.111 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084432006 LCJSNUKWICKQFT-HYARGMPZSA-N 580.866 5.635 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1 1084478281 WZYPAPKAJZMSQV-XQNSMLJCSA-N 564.455 5.822 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 1084573754 NHFRALHIWDNGCF-LDADJPATSA-N 501.797 7.170 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 1084600796 VKRRWJTYWLBICT-PXLXIMEGSA-N 522.432 5.837 50 10 KKGE CC(=O)NC[C@@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 1614465079 KGBSGBJFEOXATN-QFZFIXMWSA-N 623.616 6.746 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719667 KHNHWKBWEWGVJD-UHFFFAOYSA-N 528.561 5.004 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746793 HFWUERQLMKRZQI-UHFFFAOYSA-N 507.590 6.376 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747379 PELOISPSERJMJO-UHFFFAOYSA-N 518.570 5.327 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865694835 CWCWLWJYLHRITP-NDEPHWFRSA-N 527.024 6.007 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700673 ATDKKJCDJJGJHM-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701197 OTLISAVINWHIHH-LJQANCHMSA-N 562.237 5.472 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702444 ALZGMBPTYIVVJR-PMERELPUSA-N 552.650 6.527 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1 1865706814 GFDXKVLVCKJMHM-MUUNZHRXSA-N 510.041 6.138 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714537 MOUHAUMXPKLIAK-OAQYLSRUSA-N 530.338 5.134 50 10 KKGE CC(C)C[C@H](C(=O)NCCCBr)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865905661 XJWFJJUBNBCHCS-MRVPVSSYSA-N 519.050 5.212 50 10 KKGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867079084 CGAOLNIYFOWVNF-NRFANRHFSA-N 537.667 5.159 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H]1c1ccccc1 1868544642 INCXRSXLLJHMOZ-MUUNZHRXSA-N 534.733 7.251 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872747357 ZBSSYGLXXHZTGB-UZYVYHOESA-N 518.551 5.376 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)\c2ccccc2)cc1 1872752709 OWNDQZNDECLOCY-BWEJNAQSSA-N 508.599 7.359 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Cl)c1sc(Br)cc1Br 1922883296 MMOXSQPPZFRAAI-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Cc1cccc([C@@H](Cl)c2sc(Br)cc2Br)c1I 1922940959 MTHCOQYRYAZQMM-SNVBAGLBSA-N 506.428 6.514 50 10 KKGE C[C@H](C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924568193 CPBPPYMYHKICJP-XCBNKYQSSA-N 523.954 7.688 50 10 KKGE Cc1sc(Br)c([C@H](Br)Cc2ccccc2I)c1C 2082882757 BNFZDXIFEVIOAS-LLVKDONJSA-N 500.037 6.411 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2083333798 JNMLXASTQDPUJH-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094672555 ACJQIXZIIXTJOK-CYBMUJFWSA-N 529.917 7.397 50 10 KKGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2197756246 LIXMPGDETBQFHD-HXUWFJFHSA-N 517.283 5.104 50 10 KKGE Fc1ccc(CO[C@@H](CI)c2ccc(Br)cc2)c(Br)c1 2206268190 QWICZJCIWRBLTO-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Cl 2232514849 XEDUWIGWGRLNTG-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 2235609954 PFRUHWHMPHOGME-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE COc1cc(Br)c([C@@H](Br)Cc2ccccc2I)cc1C 2236016984 QXCGJOBGBXCYHL-ZDUSSCGKSA-N 510.007 6.049 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293722863 WBEREZAURONLJW-UHFFFAOYSA-N 560.123 6.714 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619886 HOBSTSUQCWWBPV-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OCCOC)c1C 2296790178 UVVUHAAUXRJOPB-UHFFFAOYSA-N 511.625 5.445 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 2297369002 SILIGEBBYMHKGP-UHFFFAOYSA-N 512.747 6.092 50 10 KKGE N#CC(=Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 2297578152 MAXLONKLLILKKB-UHFFFAOYSA-N 512.551 5.503 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1 2297623995 JTUXTPWYZXWOIB-DEOSSOPVSA-N 630.445 5.580 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566783 ACEHHZIIYMCEMW-UHFFFAOYSA-N 754.204 6.493 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313568644 XLBUIPSIBDBWGO-UHFFFAOYSA-N 624.435 5.043 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571112 NPWTZWDPPYAECX-UHFFFAOYSA-N 628.091 7.485 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571183 PGJIVDJCOALAFZ-UHFFFAOYSA-N 615.536 8.296 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314415128 YNZATBMDGQKXPQ-UHFFFAOYSA-N 566.082 7.419 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1Br 2314445529 RGQOYAJUQBUYNJ-IBGZPJMESA-N 545.134 7.953 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 2314476399 NWIUWTJLBNKARS-UHFFFAOYSA-N 528.587 7.112 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 2314487833 KPFHUDLDSUGLPN-UHFFFAOYSA-N 559.772 7.300 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592247 OXIOKHXEBXMELR-VWLOTQADSA-N 562.489 6.221 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592262 PFOXPIQSRPVFQW-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314618613 QKQVWBNWTONPLH-SANMLTNESA-N 522.605 5.098 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314620740 UDRKSVQAFNNNAM-UHFFFAOYSA-N 574.656 6.896 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2scc(Br)c2Br)c1 2341184915 WNEGGBGWLSODSH-SNVBAGLBSA-N 507.900 7.649 50 10 KKGE Cn1nc(C(F)F)c(CBr)c1Oc1cc(Br)cc(I)c1 2365272366 DTQXDBIHPXIGHJ-UHFFFAOYSA-N 521.925 5.412 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 935235 DNSRARIWDBTRQC-BSSRNLCFSA-N 533.009 5.033 50 10 KKGE COc1cc(-c2nnc(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)n2-c2ccccc2)cc(OC)c1OC 2705024 SQXMPDNAVHDUKN-IPPBACCNSA-N 572.474 5.509 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1nc2ccccc2s1 33586296 INVZKFHOBNWBTP-FXBPSFAMSA-N 515.616 5.364 50 10 KKGE O=S(=O)(SCCCCSS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12 34967922 IXSBVHTYKCHQMO-UHFFFAOYSA-N 504.680 5.107 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 38683938 RJTOZGOKOYXYQJ-AREMUKBSSA-N 504.970 5.965 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38684025 RHPBXGBFQIHAAZ-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082457 HXNJIFYKWXUCSU-UHFFFAOYSA-N 623.367 5.142 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 100154522 MLGNEIQMZHVJBD-UHFFFAOYSA-N 532.666 5.237 50 10 KKGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cc(Br)ccc1OCCc1ccccc1 100207334 NUORDNJTWFJINI-UHFFFAOYSA-N 588.936 5.888 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1 100452182 OXBWMXRAAPIONL-MGCJZSHXSA-N 611.249 5.736 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241144 HIVOEEYOWJOVOW-OGCOBRASSA-N 572.008 6.110 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101333866 YCLRVSWRIHJGJD-RDRPBHBLSA-N 528.612 6.119 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101341030 WXNCRXUWKQNCFN-RDRPBHBLSA-N 607.066 5.927 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCCC(C)C 101368285 SFZZLGQPGYRPPK-NMEOQCILSA-N 545.035 6.610 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369326 ACZJAISAXMQIRV-LJAQVGFWSA-N 524.960 6.335 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 101372087 GLJZPAPTKXQQMC-HKBQPEDESA-N 542.632 6.165 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380271 MRECAEUPEPTLBM-IFQLAXCMSA-N 552.989 6.895 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384286 WVQNMTWKACIRMD-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101385992 ZTRRXIJUVMFFEX-PMERELPUSA-N 553.014 6.673 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387403 ACNZGHVRJUNUAL-LJAQVGFWSA-N 601.974 6.412 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101398786 YTQNDNKBJRAZSG-KYJUHHDHSA-N 550.542 5.368 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccccc1Br 101492983 VBRZXRKQBXJWCF-UHFFFAOYSA-N 531.676 5.320 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603583 WGXSQVGZNBNOQS-YQCHCMBFSA-N 558.421 7.123 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1Cl 102007297 UEQZACZLBBJSJH-IPBVOBEMSA-N 611.370 7.196 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 102664613 OZKVWOKFZZDUSL-PDGQHHTCSA-N 551.451 8.013 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 102666222 WAEQHONPYKEXSP-DCDPTZQDSA-N 544.463 7.212 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(I)cc2)cc1 103888679 GIBHXDYEQMALAU-UNOMPAQXSA-N 573.228 6.487 50 10 KKGE Fc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)cc1Br 118878669 BYHWUPRKSLJQFA-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE Brc1ccc([C@@H](Br)c2cccc(I)c2)c2ccccc12 127454057 CSXHBZPGXLCEMY-KRWDZBQOSA-N 501.987 6.691 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 150441836 JSAOKOBGXIWFPP-JGCGQSQUSA-N 628.037 6.428 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1cc(I)c(O)c(I)c1)N/N=C/c1cc(Br)c(O)c(I)c1 164003681 DXUABTTXCBJEDS-IHXWQEJPSA-N 923.166 7.176 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(Br)nc4c(OCc5ccccc5)nc(N)nc43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 195908421 JDXBCEWMDJONPM-WXFUMESZSA-N 678.777 6.994 50 10 KKGE in-vitro CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207168031 CFYCDPBOIHQSFU-NCGOAAPJSA-N 506.599 5.181 50 10 KKGE CN(C)[C@@H](c1ccccc1)[C@@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 210014071 CRDKMPRXRRQNBW-ZNZIZOMTSA-N 659.495 9.666 50 10 KKGE in-vitro CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 214316983 DBYNALRLMFXBOZ-PKAZHMFMSA-N 534.641 6.427 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214346513 IOZNMEOVGPTUMR-YQYKVWLJSA-N 556.666 6.472 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C2=O)cc1 214394636 LNHYEZAOZBCOHO-YUMHPJSZSA-N 545.555 5.249 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214434067 MUNORVNDQCFFFV-BRPDVVIDSA-N 598.725 5.603 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Cl)c(Br)s2)c1I 235928017 RJJMZMORJFNTJY-SNVBAGLBSA-N 506.428 6.561 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(OC)c2OC)cc1 252619358 LODWWOCRQHVHPM-OERYXMESSA-N 535.044 5.125 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253576047 VIUSIVMJIIAWQL-DEOSSOPVSA-N 678.644 6.899 50 10 KKGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)Oc2cccc(C)c2)cc1)c1ccc(C(=O)Oc2cccc(C)c2)cc1 253576621 WAZGYMRSHSLCNT-UHFFFAOYSA-N 610.899 7.843 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 254714068 JXLOCLPCKCBDBS-UHFFFAOYSA-N 501.594 5.155 50 10 KKGE CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3ccc(Cl)cc3)n2-c2ccccc2)cc1 254735182 RVOBCWIEZDQBES-IBGZPJMESA-N 535.073 5.562 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3sccc3I)c(Br)cc2N1 311452296 SONPKQYZEFEFAF-GFCCVEGCSA-N 512.992 5.094 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1ccccc1C=NNC(=O)Cc1ccc(Br)c2ccccc12 585091372 CLXBQHNVWADYOY-UHFFFAOYSA-N 656.378 6.904 50 10 KKGE c1ccc(P(c2ccccc2)c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2ccccc23)cc1 642813708 JIDIQDKSMURUIU-UHFFFAOYSA-N 593.666 10.108 50 10 KKGE Fc1ccc(P(c2ccc(F)cc2)c2cccc3c2Oc2c(cccc2P(c2ccc(F)cc2)c2cccc(F)c2)S3)cc1 642813763 SSCKVTDXCPXUSG-UHFFFAOYSA-N 640.578 8.016 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2F)cc1Br 710300621 TWHFOOONOMKLNJ-CQSZACIVSA-N 529.867 7.100 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CSc1nnc(N)s1 1083910897 GXKSZPVLTRWSNB-UHFFFAOYSA-N 552.774 5.329 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2C#N)cc1 1083957376 BKLKWRUVNDBDJS-UHFFFAOYSA-N 510.597 6.667 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1 1083967240 PBTXUCDJDJVIST-ZTKZIYFRSA-N 517.629 6.073 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084032457 TVBAWSIKQZOTDK-SANMLTNESA-N 627.479 5.503 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 1084181680 JSJDHDHWVQHGAO-UHFFFAOYSA-N 668.386 6.682 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084270195 IWWZYSKNFMBQEY-UHFFFAOYSA-N 680.010 6.426 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1084379348 MAVVGGOZHAKYRF-KEBDBYFISA-N 597.282 6.677 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084562051 NSXPTNAJQXSSNO-UHFFFAOYSA-N 523.036 5.410 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084575148 AADUKIOUHOTJTH-SANMLTNESA-N 586.765 6.987 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747720 FVKBSGSCICHRTE-UHFFFAOYSA-N 619.505 5.724 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1848665456 JWEOPRVXJUYGSP-OSJXPWDQSA-N 549.678 9.359 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1O 1865695847 IEAOWEGYADYQFH-VWLOTQADSA-N 565.427 6.387 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697037 VAVHNUJKQZFGLY-QHCPKHFHSA-N 547.384 5.432 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697592 XKQDWEAXSNDHIY-DEOSSOPVSA-N 551.485 5.889 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703055 LVZHIVUYKYNZND-SANMLTNESA-N 517.416 6.344 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703339 UIFLQFBOSMSCOH-LJAQVGFWSA-N 519.004 6.785 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704876 GWAFOOBERYSJDL-HHHXNRCGSA-N 520.589 5.248 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865706771 FHUQHLIQDBBRAU-SSEXGKCCSA-N 558.085 7.437 50 10 KKGE Cc1ccc(/C(=C/C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866688207 QCXHNMXQEKDFQO-GSJFZTJBSA-N 513.638 6.175 50 10 KKGE CSCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867195109 NEXFHNGHMGPACE-QFIPXVFZSA-N 542.690 5.337 50 10 KKGE CC[C@@](C)(NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207072 GFVIZDSCHZKVNB-NBGIEHNGSA-N 532.504 6.084 50 10 KKGE CC(C)c1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)CC2 1868365132 LQGVPMYNIFMDDF-UUWRZZSWSA-N 553.735 8.736 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1c1ccc(F)cc1 1868434065 WIRDAXUGDHYTFL-RUZDIDTESA-N 531.060 6.746 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3c3cccc(OC)c3)n2)c1 1868505283 FWKFSRXFVGCTOQ-XIFFEERXSA-N 571.706 7.630 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccccc4)C(=O)C3)n2)cc1 1868527640 DJXQECNHKJHWBC-UHFFFAOYSA-N 522.634 5.712 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)nc(O)c2cc1OC 1872727646 QHXFZRUFJLNMCZ-RGVLZGJSSA-N 540.576 5.060 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)\c2ccccc2)cc1 1872745655 XHACBEBETZATJV-XICCPGFZSA-N 510.615 7.259 50 10 KKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872748613 FNVYOLQKRVUTKS-NMWGTECJSA-N 518.381 6.867 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 1872753768 LXVPECWYYZXWSE-JEOADQEBSA-N 517.607 5.458 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872756119 DGPNAIBCLGNARX-ATJXCDBQSA-N 516.579 5.984 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(Br)CC2)c1Br 1900359749 GVAYBFOZUOVHHO-VIFPVBQESA-N 500.225 6.368 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1Br 1922897944 QYGLCTDJBRAWOM-LLVKDONJSA-N 517.906 7.137 50 10 KKGE COc1cccc(OC)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924602151 SNEBJRYYBBCQNO-SNVBAGLBSA-N 549.904 6.537 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924613255 HNUBMQFOOWSGFK-ZCFIWIBFSA-N 563.878 7.600 50 10 KKGE N#CC(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)=C(c1ccc(F)cc1)N1CCOCC1 2040469639 GFQVCNMSTXOWGB-UHFFFAOYSA-N 531.638 5.063 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 2040746854 WOSKMIRNMUKUSD-UHFFFAOYSA-N 559.569 6.644 50 10 KKGE CCc1nn(C)c([C@H](Br)c2cc(Br)sc2Br)c1Br 2072303026 RQURVZZGODVQEL-MRVPVSSYSA-N 521.898 5.816 50 10 KKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H](Br)C1CCCC1 2110730193 IGAIDOIUKOYKLA-LLVKDONJSA-N 518.869 5.866 50 10 KKGE BrCC(CBr)(Cc1cc(Br)ccc1Br)C1CCCC1 2118530641 YQRZVYFFAPRYED-UHFFFAOYSA-N 517.925 6.721 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2137636796 IGZYSOHFXYQSCI-LLVKDONJSA-N 509.872 7.073 50 10 KKGE COc1cscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467818 COUACAQSWUFSTA-SNVBAGLBSA-N 598.774 7.291 50 10 KKGE CC(F)(F)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468563 LFWFTSRSULMENN-SNVBAGLBSA-N 546.269 7.452 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(I)ccc1Br 2145957905 RSNFSPTUFNQPGS-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Cc1c(Br)cnc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2184921990 FAARNMUKKBQLRT-UHFFFAOYSA-N 539.905 5.755 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2c(Cl)cc(Br)cc2Cl)c1 2203008053 OCTBGYFZASTDKO-UHFFFAOYSA-N 503.843 7.514 50 10 KKGE Clc1cccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397093 DWQZHTAGMPULQX-SECBINFHSA-N 611.191 8.069 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1C 2229325806 NODDWGJFVVOKMU-LBPRGKRZSA-N 535.896 7.276 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CC1(Br)Br 2233041055 RXDCTQDPTYYDKB-RQJHMYQMSA-N 505.863 6.258 50 10 KKGE Cc1cc(Br)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277959989 DFIJQGDDALJJGI-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198262 NXALHQQFISUCRH-XMMPIXPASA-N 550.453 5.373 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2293198291 QZFNRQYYTCSLSI-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 2293722843 LIKKRMYBOWVGRN-UHFFFAOYSA-N 562.493 5.881 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 2294168414 JXGZGUXNARNUQC-UHFFFAOYSA-N 637.301 7.520 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)sc2c1CCCC2 2296144735 FCJJONIUFAHLOC-UHFFFAOYSA-N 582.501 6.773 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 2297458488 SUBDYAISTZSWAC-UHFFFAOYSA-N 519.579 6.298 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1scc(Br)c1Br 2299504860 QTIFNZGEQZGMNM-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1F 2313567496 KJRUUIDDERKTSM-UHFFFAOYSA-N 597.428 5.274 50 10 KKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 2313567728 NMQXBICQWHUGBM-UHFFFAOYSA-N 505.578 5.162 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 2313568344 VBEZCAJIDDWUCL-UHFFFAOYSA-N 637.053 5.232 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCc1ccccc1 2314476195 KNPADOCGBXFPMN-UHFFFAOYSA-N 528.587 6.481 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)c(=O)n(-c2ccccc2)n1C 2314478661 QIRVOWKOLLGXCQ-UHFFFAOYSA-N 624.676 6.601 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 2314479357 QCAXRIFYIQJPJA-XMMPIXPASA-N 595.725 5.904 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591856 GHEHQWYJLQAFKU-MUUNZHRXSA-N 509.675 6.746 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314610212 FCXOREDCLQHXJI-UHFFFAOYSA-N 605.138 7.944 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314616762 JEMDIKKNPIDDHD-UHFFFAOYSA-N 512.949 5.440 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1OC 2314792595 ANXQWPRZYDLBEV-UHFFFAOYSA-N 572.727 7.594 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)co1 2317410461 KODNQHCSBIAQPO-SNVBAGLBSA-N 505.801 6.499 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1OC 2331242647 XDIPBQRVGHKYKQ-OAHLLOKOSA-N 511.987 5.335 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3C2=O)c1C 2331295816 HLBBLINMIGXDIK-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331312041 XVRQMUXDRDIBEJ-UHFFFAOYSA-N 501.307 5.114 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2331450496 PWADQPRGMDEIGS-UHFFFAOYSA-N 501.402 6.061 50 10 KKGE Cn1nc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2337095172 XMRVISVPWPFLSL-ZETCQYMHSA-N 541.238 5.379 50 10 KKGE Clc1ccc(COc2c(Br)cccc2CBr)cc1I 2337271138 SSGLEJKGIUXYRJ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CC1(C)CC[C@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2349830363 BFNBGLYAJQDYOH-GFCCVEGCSA-N 501.044 5.439 50 10 KKGE Fc1ccccc1[C@H](CI)OCc1cc(Br)cc(Br)c1 2362247609 KRPFWORQEMHWFG-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cn(C)c(Br)n2)c1Br 2365188201 IZLZHXDPUARRCA-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE C[C@](CI)(OCc1ccc(Cl)cc1I)c1ccccc1 2365645066 KLMLRTRGBMVOMS-MRXNPFEDSA-N 512.556 5.812 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)CSc2cc(Br)ccc2C)c(OCC)c1 1791487 XMLKYUDYHRYAMB-YVLHZVERSA-N 504.402 5.324 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 38679253 SONLNSIXZBPJCT-XGCWNURASA-N 518.541 5.214 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 38684640 TZWVNTHKZSJLOO-LJAQVGFWSA-N 514.578 5.323 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811647 LJWRWSHCMRNVRF-MHTZHOPKSA-N 526.036 6.554 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811742 MTAQNPNJQWZPDY-TURZUDJPSA-N 514.807 5.404 50 10 KKGE Cc1ccnc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 40822090 GNOGFCKFSQHQLD-STBIYBPSSA-N 501.370 5.086 50 10 KKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2)cc1 58993517 VQBFTBINKCOCHW-RGXNXFOYSA-N 541.673 5.536 50 10 KKGE O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 97958769 ZBGMMSZHIJWMLO-POLRMZTNSA-N 594.627 5.407 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)N3c4ccccc4Sc4ccccc43)cc2)cc1 100104958 HBFMIDIDOQIPFI-UHFFFAOYSA-N 536.657 6.894 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 100231893 NQVMMROGGDZRNF-NRFCLKMUSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 100234883 BFRPFZFPWOBORB-OTQJEQPISA-N 561.476 6.544 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 101034144 RBIXUWZZZJSEFX-NTEUORMPSA-N 582.772 8.411 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)C2=O)cc1 101339866 JAHLOCQNKIIFML-JVWAILMASA-N 579.454 6.103 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(Br)c1 101363465 RBYLCQQCBGNLDC-QHCPKHFHSA-N 556.210 5.414 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 101373699 ZXKCJZLAPIMFMS-YTTGMZPUSA-N 534.612 6.394 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380239 QQKFEVYLDQZAIQ-PMERELPUSA-N 591.422 6.914 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380764 DXLNPTZEQWUTTH-LUASRANXSA-N 574.652 7.539 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101385815 LGDQLLLZZRCMQW-DHUJRADRSA-N 603.074 7.447 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386161 PNNRRGFKGQFLIV-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388327 LGKMIYBMRGBRIL-UMSFTDKQSA-N 611.094 7.083 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101388975 JEVDYAGIZDMHDD-SSEXGKCCSA-N 581.556 6.149 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)oc2c1C 101398570 PFWNOPPRTJIUAQ-HKBQPEDESA-N 591.063 8.028 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1F 101399826 QDLJTBHQXXGJRF-YTTGMZPUSA-N 604.590 6.347 50 10 KKGE Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)ccc1Br 103877239 KBHCHYUOIZRPOC-RPPGKUMJSA-N 529.232 6.438 50 10 KKGE O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 104087839 HAKABMAYJUEWTA-VIMSVTEUSA-N 618.325 6.887 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800058 WLLNQVZUSSMAAW-ODLFYWEKSA-N 607.629 6.516 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(\C#N)C(=O)NCc3cccnc3)o2)cc1 110348382 XHNCYLPVTXXTNA-OEAKJJBVSA-N 595.508 5.904 50 10 KKGE Cc1nc2ccccc2c(=O)n1/N=C(\N=N\c1ccc(C(=O)N/N=C/c2ccccc2)cc1)c1ccco1 135763921 QFBQPZULADHTPA-BEIZTNGZSA-N 503.522 5.056 50 10 KKGE CCc1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(CC)cc3Br)cc2)c(Br)c1 150388893 OLVQIQVOTOGJMH-IHXWQEJPSA-N 644.364 5.395 50 10 KKGE C[C@H]([C@@H]1CCC[C@@H]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C 200645992 VSPUBGCATGQRGJ-NGXZDTIWSA-N 562.559 9.793 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206396616 YYEYXQNIWKWGPJ-KZXSBNRASA-N 544.607 6.116 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214234256 LTFPGUAEARBKGF-GTWSWNCMSA-N 574.656 7.040 50 10 KKGE Fc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Br)c1 236246427 CKGAHBCQVPOXEV-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE CCOc1ccc2ccc(OCC)c(C=NNC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)c2c1 254514426 RTMSFUIMMVIAQP-UHFFFAOYSA-N 542.583 6.549 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CCCC)cc3)cc2OC)cc1 254759062 MVQUCEWPCRYBES-UHFFFAOYSA-N 532.637 5.965 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC 254841145 NKVQSIOIBVDXOW-UHFFFAOYSA-N 562.475 5.303 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616668289 IZQWVVHXCAAAOZ-HHHXNRCGSA-N 510.795 7.270 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 642883015 KASDHRXLYQOAKZ-KGMGGHPTSA-N 810.466 5.719 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)s1 721617109 VSQNNPGRTMYNGQ-GFCCVEGCSA-N 580.905 6.508 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)cc1 1083880281 LTQAVOBWDNMLPI-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 1083906900 MYORHQZURAIFBL-UHFFFAOYSA-N 594.712 5.983 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1084047148 AIIZQOISAGMTJU-ZITIIORJSA-N 507.388 5.783 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084083952 NTAMAQIUWADPDW-QFIPXVFZSA-N 546.805 5.554 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1084102189 KQAWZTUPZLGJKF-UHFFFAOYSA-N 502.412 6.378 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc5ccccc45)c3C)sc3c2CCCC3)cc1 1084116914 JXOGBNMBFVTULP-UHFFFAOYSA-N 560.723 7.512 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084149868 XJKAAOFZZGSFPX-UHFFFAOYSA-N 671.559 5.551 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)cc1 1084267191 IRFOGQCZVOXEAY-LGUFXXKBSA-N 528.052 5.912 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 1084331568 DZWVZGQFCCGVTE-HSZRJFAPSA-N 501.410 5.935 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc2ccccc12 1084387863 UTABHUXEFQUNGE-UHFFFAOYSA-N 669.313 7.695 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(F)c1 1084494339 PDRUQIIBNZZOPR-UHFFFAOYSA-N 590.243 6.839 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084608466 GRDVUNUCMYPXFT-WLRTZDKTSA-N 580.047 5.935 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)ccc1Cl 1772745509 AEVPQDKEWNKYRZ-UHFFFAOYSA-N 515.791 6.002 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772747035 CFSGHZBZRCDUNW-UHFFFAOYSA-N 510.934 5.271 50 10 KKGE Cc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 1772755550 LWRJJOOVEZVJLX-UHFFFAOYSA-N 515.835 6.299 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1772760360 GCEBJSJNFCBEIQ-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682392 NOVCYQQBMCTYDB-AREMUKBSSA-N 508.597 6.262 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865690860 CUZFSLRFBWMFBW-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865690867 CXGHWGUGMGYSDW-OAQYLSRUSA-N 514.504 5.305 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CCC)cc1OC 1865691337 PSUARGYCWBHUPZ-OAQYLSRUSA-N 503.441 5.550 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865691573 VRACSYAXANPVHB-QFIPXVFZSA-N 557.876 6.256 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865691690 YZCGKZPFDAONNN-PMERELPUSA-N 564.686 7.042 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695502 DKUKJQLABVUEQS-DEOSSOPVSA-N 543.421 5.602 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865696404 GEQUYPDXYNBAFE-NRFANRHFSA-N 527.394 5.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCCCc1ccccc1 1865697596 XPGUULZPVSIVHI-GDLZYMKVSA-N 541.051 6.132 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698588 YAPSKFAOZRORRA-HNNXBMFYSA-N 515.330 5.088 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865702645 YCTSBWVERQDPSA-SANMLTNESA-N 526.040 6.266 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703005 KMBPFKDLQQGJPU-MHZLTWQESA-N 511.025 6.253 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866782224 OVCMCIWHXFJXSZ-KYJUHHDHSA-N 587.717 7.117 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)Cc1ccccn1 1867081947 WPKXFRXJLWDBRI-SANMLTNESA-N 545.665 5.278 50 10 KKGE Cn1c(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)nc2ccccc21 1872726710 AGDUINGUROBBDZ-GZTJUZNOSA-N 513.222 7.286 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3C)cc2)n1 1872792954 ZPNXOEBMKLDCSC-RGVLZGJSSA-N 507.442 8.077 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915094116 DCSMULINHUCKRW-ZDUSSCGKSA-N 540.115 5.576 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066233 NELHGPJGLCIQFB-SECBINFHSA-N 538.324 7.482 50 10 KKGE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2037916293 AHKVECQGASADRU-QAZBPYKKSA-N 885.971 8.579 50 10 KKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2049575754 ZSFPVINVONSQJF-APPZFPTMSA-N 523.954 7.688 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1I 2053504310 CENGNPGCCBFVQK-UHFFFAOYSA-N 613.020 6.147 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2053588931 DIMYHZDULFSWLS-UKWSITOTSA-N 641.142 11.150 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 2087339808 WCMGYLXGSAYHJP-HNNXBMFYSA-N 514.064 6.798 50 10 KKGE FC1(F)CCCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2108667912 ZLIFSGKJWQXRCR-IMTBSYHQSA-N 501.456 7.531 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC3(CCCC3)CO2)c1Br 2109977443 AUEXIUPWABYFHK-IONNQARKSA-N 537.937 6.821 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468583 LJULGLYQBMLAMY-SGTYWVLOSA-N 550.232 7.215 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 2163314100 ULDOHEDHCLKPMB-JOCHJYFZSA-N 512.717 6.490 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(Br)cc2F)c1Br 2203684137 ISJYRFRGCXIIKB-ZDUSSCGKSA-N 529.867 7.100 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc(-c2cccs2)s1 2205859508 LGURADKYLIUOHW-HNNXBMFYSA-N 540.083 7.328 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC[C@H]2C[C@@H]2CC1 2206394101 DTVSMQMCVWHYIE-UTEYVOQOSA-N 550.354 7.843 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@]12CCCOC2 2206397553 KNEFOGMGMIXEHE-GTNLGMRDSA-N 552.326 6.833 50 10 KKGE FC1(F)C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199450 CMTBYISUEQWIAX-IMJSIDKUSA-N 503.826 6.312 50 10 KKGE CC1(C)C[C@H](c2sc(Br)c(Br)c2Br)C[C@@H](Br)C1 2216417877 GXISJJABHACDRE-RNFRBKRXSA-N 509.927 7.093 50 10 KKGE CC[C@@H]1C[C@H](Br)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216419086 JNGQEWJASRUNSS-RNJXMRFFSA-N 509.927 7.093 50 10 KKGE Fc1cc(F)c(CBr)c(Oc2c(I)cc(Cl)cc2I)c1 2235796466 UXPYNKCUBRVCDE-UHFFFAOYSA-N 585.351 6.515 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2241002998 YGNVXHUNOFJGDZ-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE COc1ccc([C@H](Br)c2c(F)cccc2I)cc1I 2269536611 ZMOYOVZWKQYKRE-AWEZNQCLSA-N 546.943 5.528 50 10 KKGE Cc1cc(I)ccc1-n1c(CCl)nc2cc(I)ccc21 2283583667 VTQZBVAWOAKKAP-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(Br)c2)C(=O)NN=Cc2ccc(Br)cc2)cc1 2294217745 FTTXCJOVCKNMCS-UHFFFAOYSA-N 570.285 5.199 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(C)c2O)cc1 2297321750 SJXVERWVTARMKN-UHFFFAOYSA-N 549.469 5.231 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2299502766 ZLTULTZTKBWHOE-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)c(=O)n(-c2ccccc2)n1C 2314477011 ZSLWATAIKLMABE-UHFFFAOYSA-N 624.676 6.601 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccccc3Cl)nc12 2314533488 RJFVGYCDLJLNIO-UHFFFAOYSA-N 525.779 6.301 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592145 MMJXUFRQBGYVJV-VWLOTQADSA-N 501.583 5.462 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592610 YMDWCWXWPPLIOC-XMMPIXPASA-N 536.484 6.984 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(OC)cc3)C2=O)cc1 2314592862 CWKVFACBNQYSNT-SANMLTNESA-N 515.635 5.373 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314609996 BNRBMRXFHDVONE-UHFFFAOYSA-N 588.683 7.430 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314618655 RBQHTISZNITYNU-OAQYLSRUSA-N 502.549 6.032 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 2314619062 ZEWLUFBNNCGDPT-RUZDIDTESA-N 526.640 6.818 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314619522 ABDYMYHCEMBGFM-UHFFFAOYSA-N 546.602 6.258 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314620984 XUEAGPOHDNNZMC-UHFFFAOYSA-N 557.046 6.161 50 10 KKGE Clc1cccc(Oc2cc(Br)cc(I)c2)c1CBr 2316847186 KZLAGZONHNBKOW-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCCC[C@H]1I 2319225261 YNMBQOSRPTWZJA-ZIAGYGMSSA-N 535.001 5.707 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)n2)cc1 2331312235 XVTGZQNLAUGQDI-UHFFFAOYSA-N 521.554 5.593 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 2331356002 CASLGMWGVDNIHK-UHFFFAOYSA-N 504.696 8.200 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 2331402132 SBHHUFMYHUXZRN-AWEZNQCLSA-N 500.001 5.547 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccccc1C 2331417181 WWJVBGSAVWFZPM-UHFFFAOYSA-N 502.639 8.314 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccccc1C 2331456915 WEFFGCOGBPFIPG-UHFFFAOYSA-N 502.639 8.314 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331478475 NJBAFRUZULRHOV-UHFFFAOYSA-N 525.512 8.040 50 10 KKGE CC1(C)CC(CBr)(COc2c(I)cc(I)cc2I)C1 2344970555 JILFGROETKZWRV-UHFFFAOYSA-N 660.897 6.081 50 10 KKGE CCC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2349860908 VTHNPHSFHJOISV-QWHCGFSZSA-N 501.044 5.297 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2352540052 WHTNTFOQVADFCP-UQIHICMWSA-N 582.750 6.740 50 10 KKGE C[C@@H](Br)C[C@@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377327079 OSQRTPAPABAXTH-OCCSQVGLSA-N 515.071 5.972 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378014006 IYVTVVFJFZSQSZ-INIZCTEOSA-N 564.387 5.069 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2cc(Br)sc2Br)c1 2381248414 WFSMVMVYOAESHT-GFCCVEGCSA-N 503.481 6.935 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2330900 CGVYTGAQEVVDFD-BHZNVDEZSA-N 522.457 5.779 50 10 KKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 2342166 VUVZBWSZJVMJKM-QPQMVVSWSA-N 534.435 5.523 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 38604388 YBINQSFUSSFAJA-OEAKJJBVSA-N 515.013 5.982 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 38605871 RAPFSDPVCKZVAL-OGLMXYFKSA-N 514.585 5.649 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC 38649490 YYHCFSAGZZATQZ-SANMLTNESA-N 500.551 5.273 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(Br)c1 38651520 ZGEXHCPPEACIGP-MHZLTWQESA-N 511.375 5.969 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38688579 YHDOMBYEDVVQDS-MUUNZHRXSA-N 506.558 6.360 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38700845 KBIIDBHWEOZHOV-MUUNZHRXSA-N 508.574 6.666 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812392 VISHEZCHUKDRJK-MHTZHOPKSA-N 509.581 6.040 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cc(Br)ccc1O 100061902 ADTDNBNNABDZCV-NUGSKGIGSA-N 557.036 5.362 50 10 KKGE COC(=O)c1ccccc1-c1ccc([C@H](Br)[C@H](Br)c2ccc(-c3ccccc3C(=O)OC)cc2)cc1 100221858 MXTJPALAYURKDE-HNRBIFIRSA-N 608.326 8.166 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245172 FCQSLIYOHVNCEU-HHPODCHXSA-N 525.674 6.582 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 101340048 HWINHCWQSCQZMG-NLRVBDNBSA-N 516.638 6.236 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101374033 CRHSBYINVCRXDM-NDEPHWFRSA-N 597.495 7.407 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101374798 JPHZOQYXGMKFBF-PGUFJCEWSA-N 588.704 7.610 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382612 OQFKRUXOAHCYML-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384047 NSWZECXNNPCJHQ-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1F 101386668 PPUKJMHULLMMIN-PTRALIJHSA-N 548.570 6.250 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388652 XLBLAXYCJOCWAN-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OC)c1 101680124 ADVLTMPMNURWCQ-IZZDOVSWSA-N 553.609 6.417 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 101795072 UDRKDNYQIISQDL-LFIBNONCSA-N 536.220 5.019 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)N/N=C(/C)c3cccc(C(F)(F)F)c3)cc2)cc1 102832624 LJCYOJRZZRNADT-QHDYCIAZSA-N 595.643 6.259 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 103806275 FIEPCZNZKAMTEB-FBLXPYCXSA-N 620.112 6.453 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 104989403 VPJGGJGXOUOEQQ-LLLYXHGFSA-N 561.726 8.040 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1OCc1ccc(Cl)cc1 105059424 XWZYTTHCZUNNOK-DPNNOFEESA-N 585.889 7.298 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc(O)c(Br)c1)N/N=C/c1ccc(O)c(Br)c1 105660058 BPNATMROWADUHA-YAGSLNJISA-N 624.374 6.124 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 128262962 FOYJEZRNBYWYOJ-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432884 NBLBGMMUGWKGCE-AYLZSAKASA-N 649.502 7.701 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433267 PFASDCXYPLOKGR-XIFFEERXSA-N 631.512 7.482 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433759 NMGBLXBSEVZXBR-JGCGQSQUSA-N 659.497 8.602 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc(OC)c1OC 150462330 IZUOYSCJMSQEAA-SSEXGKCCSA-N 633.484 7.036 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1 164611481 VSRINKYRJZZURL-ZSNJKBEMSA-N 767.405 8.013 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214335585 BDVJVUGHDPOYRQ-ZLBVPIIXSA-N 554.650 6.766 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214354927 GFMBQAZYLNQNDO-YUMHPJSZSA-N 506.606 5.661 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(Br)c1Cl 228451735 ITZWLTXZLIITOF-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)sc1Br 235862086 IKKIAPGQMAJEBT-NSHDSACASA-N 503.879 6.828 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1Br 236029962 GGHMAWUOKMGJDG-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 252590625 ATVUPRSENPSJTL-ZXNDVWHYSA-N 512.997 5.186 50 10 KKGE Cc1c(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1 252598022 CXHXZAGYACOYNK-UHFFFAOYSA-N 554.691 7.149 50 10 KKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 254480120 SHFLZJMGYUMAGK-UHFFFAOYSA-N 557.738 6.948 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254816849 UGKNSMCYXMGGQZ-UHFFFAOYSA-N 678.742 6.083 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Br)cc2Cl)c1Br 380099883 GLFPRFUVMREWBN-VIFPVBQESA-N 513.398 7.430 50 10 KKGE Clc1cc([C@H](Br)c2scc(Br)c2Br)c(Cl)c(Cl)c1Cl 707817029 XNLPOVCITGILBJ-LURJTMIESA-N 548.736 8.371 50 10 KKGE O=C(Nc1ccc(CCBr)cc1)c1ccc(I)c(Br)c1 721574195 WGYZRKLQXFWENC-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE Fc1cccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1I 721707643 ZTGCUMVMKPNSIF-QMMMGPOBSA-N 543.943 6.757 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccnc3ccccc23)CC1 725238741 WZRQPVJWDDUXLW-HHHXNRCGSA-N 587.067 5.973 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1 725445626 QDZYAMXKGJJURG-DEOSSOPVSA-N 667.338 6.004 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 1083818482 XORYGFNCJVGENP-OPJSNLGLSA-N 795.014 9.608 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2cccc(F)c2)cc1 1083897206 NFMFEEYFILWNJK-UHFFFAOYSA-N 503.577 6.935 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(OC)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084021472 HGULGOCUIBHQHX-UFRMOSHKSA-N 555.700 6.082 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc(F)c1 1084156155 LLTFNYAJCJGHOB-FYJGNVAPSA-N 525.407 7.384 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 1084183462 XSDSKSMCFPCORF-PCLIKHOPSA-N 540.461 6.504 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084191865 ZGWJNRIDRWULFP-UHFFFAOYSA-N 653.533 7.865 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084243231 KNJUUOWCBLMWSU-UHFFFAOYSA-N 605.311 5.586 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084311886 HUPWTVKXQTWQCV-UHFFFAOYSA-N 722.275 9.083 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084430709 DHZFWVGLDBIQPE-QHCPKHFHSA-N 529.406 5.530 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2Cl)cc1 1084501276 NCIOPKUCIBIMHP-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1Br 1084540361 OCZYVLORHCOCAM-UHFFFAOYSA-N 623.573 5.828 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084566699 OKLTUGLZDIKZHQ-JOCHJYFZSA-N 591.256 5.663 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1 1084646397 CAFDRVWKKGYKQZ-UHFFFAOYSA-N 615.608 6.777 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685129 GAIQLXYIVSFETP-AREMUKBSSA-N 511.025 6.602 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865688837 CGYLBYYJOTYQLM-SANMLTNESA-N 527.024 6.267 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865691684 YVERVKDOHVEKKX-INIZCTEOSA-N 529.357 5.336 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865693476 JVWRIMRTTVKJMF-SSEXGKCCSA-N 575.068 7.389 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695177 LWLNUENCKNVEKP-SFHVURJKSA-N 525.314 5.823 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865696766 QYDOAHAVQPGUME-HNNXBMFYSA-N 546.130 5.884 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865697425 SDORHLIUCREILD-HXUWFJFHSA-N 560.246 5.331 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697743 APYYWFAXVDSKCD-XMMPIXPASA-N 547.398 5.844 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701006 JOBVXCTWTMWATP-RUZDIDTESA-N 503.389 6.285 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703778 FLYLIYIGMXSGHC-AREMUKBSSA-N 531.443 6.598 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865705394 URLFXDBDAVYGKP-JOCHJYFZSA-N 566.923 5.990 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707515 YLGDPVJSARYNSZ-NDEPHWFRSA-N 524.068 6.392 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709636 DOZQMJCTPWYOPP-OAQYLSRUSA-N 504.333 5.972 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866772470 NZZQOFDODDNUKD-IOWSJCHKSA-N 581.669 6.212 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002542 TUOCEKMMDZCNRV-FTJBHMTQSA-N 536.122 6.464 50 10 KKGE Cc1cc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867171849 DGWVEUFCXIOZSK-VWLOTQADSA-N 545.665 5.564 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C[C@@H]1C 1868301346 OLYHXRMPOHOMGD-VXKWHMMOSA-N 502.688 5.704 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1)C3 1868433360 JNNBGSJBIALREV-UHFFFAOYSA-N 539.064 7.166 50 10 KKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868456257 MFWLLTOYGBMEEJ-LJQANCHMSA-N 516.671 6.544 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1)C3 1868544820 LILGUQQVXUPROV-UHFFFAOYSA-N 560.727 7.810 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OCC)c1OCC 1872744982 RVCVFXLHCVWHKF-XLNRJJMWSA-N 505.423 7.263 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)\c2ccccc2)cc1 1872751954 IVPXGPBXPMZPTJ-LFZPJOOBSA-N 506.671 8.754 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872794650 OCLBWTUOKMVZCQ-VCHYOVAHSA-N 503.451 7.767 50 10 KKGE Cc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924584946 FLKCWMOVDPUAJY-SECBINFHSA-N 517.906 7.023 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2(c3ccccc3)CC2)c1Br 1924596440 OPBGWGIFIIDGNN-LLVKDONJSA-N 529.917 7.203 50 10 KKGE Cl[C@H](c1cscc1Br)c1c(Br)sc(Br)c1Br 1924605687 VOXXKBGPGZRNCE-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)sc1Br 1943903458 ONRGVEWSTPQFSN-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@@H](Br)CO)c1I 1951567585 KQENALYJBPXGLH-LURJTMIESA-N 693.883 5.276 50 10 KKGE Cl[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995047558 IHQYSAXWDOFBHM-UCLJIRJESA-N 561.131 6.800 50 10 KKGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1c(Br)sc(Br)c1Br 2043522773 ZEGYXQXKSHOGDY-WCSIQHINSA-N 531.836 5.753 50 10 KKGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 2053614501 VZBBAPPRIXJHMV-QGZVFWFLSA-N 511.603 5.951 50 10 KKGE Cc1nc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 2113185494 QVHBGHZJQUPUPI-SNVBAGLBSA-N 515.008 5.238 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccccc2I)c1Br 2136378432 CVHPOTSQBKZTME-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)cccc2Br)c(Cl)c(Cl)c1Cl 2150497256 ZLRMFHBDHQYBNR-JTQLQIEISA-N 542.707 8.310 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2202350330 DHEWYFMHVWXRNN-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@@H]12 2206395513 OREKFRWSFZPTJW-TYEHMECDSA-N 550.310 6.440 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CCCBr)C1 2234190540 GTYWAXCQTAWUCO-NSHDSACASA-N 515.027 5.081 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cccc(I)c2)c1 2263517153 MSACOWAAJZFNJO-CQSZACIVSA-N 544.850 6.495 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)c(C)c1F 2279146988 PRVMHSQLKOQIME-CQSZACIVSA-N 529.867 7.214 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)c(F)cc1Br 2282135168 ATEKRFDOLVDUON-CYBMUJFWSA-N 537.793 6.876 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293038886 DUCGWLPEYDJQHQ-UHFFFAOYSA-N 559.272 7.609 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)=Cc1ccccc1 2293707230 DDNFIHXPKZBBLB-UHFFFAOYSA-N 532.467 5.994 50 10 KKGE N#CC(=Cc1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc(I)c1 2295172690 YVNQVDYIDNXTRG-UHFFFAOYSA-N 530.365 6.569 50 10 KKGE COc1ccc2cc(C=C(C#N)c3nc(-c4cc5c(ccc6ccccc65)oc4=O)cs3)c(Cl)nc2c1 2297315545 OUJOFCUBQHSNNR-UHFFFAOYSA-N 521.985 7.344 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccc(F)cc1 2297551326 APUJWFGCJBGTOF-UHFFFAOYSA-N 540.345 6.020 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)n1C 2300268361 WNDJRTLEKMQIHJ-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 2300998076 OJQDGMOSFUOACI-JTQLQIEISA-N 618.297 6.858 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521600 YXGBQMZOUJXRSW-UHFFFAOYSA-N 556.800 6.534 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1 2313549460 WVWCDNDXYHVYCJ-UHFFFAOYSA-N 511.553 7.007 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570767 FUCPFRBKZNRMCN-UHFFFAOYSA-N 583.640 7.376 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313738413 BRNBQHXYXHXZBE-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592835 CQLPNSHKPDREMC-AREMUKBSSA-N 516.066 6.206 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314610552 JGYMRJLOFLKHIM-UHFFFAOYSA-N 556.666 6.819 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc21 2314634373 JRLSUMSCXCNFLF-RUZDIDTESA-N 503.352 5.295 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1C 2314754433 RYZWTKWNWHCVMK-UHFFFAOYSA-N 548.595 6.018 50 10 KKGE Cc1ccc(C(=CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329607745 BTCAEUHDJKMXQK-LJAQVGFWSA-N 541.742 6.727 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCC(=O)N(CC)CC 2331450748 VGVXKZOXIRJPMY-UHFFFAOYSA-N 521.639 5.537 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1F 2331455609 BFYVNMAEFZWRNB-UHFFFAOYSA-N 511.405 7.908 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(OC)c1 2331473216 JWDIBFZRCADMOW-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)cc2Br)c1Br 2362240099 ZWPQVICUESNCCI-LLVKDONJSA-N 570.703 7.904 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc3cc(Br)ccc3c2)s1 2363892781 XOUCLPXWEKZDLS-CQSZACIVSA-N 542.461 7.406 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)nc(C)n1C 2365229256 YBCYTXVFYNPBLP-SNVBAGLBSA-N 533.859 5.948 50 10 KKGE CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 3658901 BHNMEHYKXBWBIW-VVNQULFPSA-N 559.504 7.614 50 10 KKGE Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Br)c3)nnc2-c2ccc(Cl)cc2)cc1 33358658 STNHUHOQMRXJGJ-VYYCAZPPSA-N 540.874 5.901 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 35519803 ZSQMEYIGPQTUOK-KGENOOAVSA-N 505.555 5.998 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38660072 DJKATGJZDXNDGE-AREMUKBSSA-N 504.970 5.965 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1C 39858527 RPSFRUNSLGIVIX-XLNRJJMWSA-N 506.606 6.255 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 58891964 SAAQWROZORVPRM-XQFNZYGSSA-N 521.455 6.029 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117600 HSULSAAVMZQHRN-NTEUORMPSA-N 506.172 7.065 50 10 KKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 59224858 HRLDZVBXIAZLGP-UDWIEESQSA-N 511.803 5.913 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Br)cc1 59304246 JWJRZPCAPSLQLQ-UVHMKAGCSA-N 513.775 6.200 50 10 KKGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 97981242 SYYJGEMJZYLOOB-CZGKVYIXSA-N 729.649 6.055 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 100236441 CVRIRVUWMPTBFS-WGNDPNKDSA-N 545.861 6.044 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034217 OHTFAQXSAZKGMO-JJIBRWJFSA-N 548.627 7.987 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065559 MXSZKONJMXVEBM-UXHLAJHPSA-N 534.332 6.092 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244871 RQKQJWXFVGHLHK-FYAMCCBRSA-N 532.463 6.131 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101333556 VGODWMWSFGJQEF-TURZUDJPSA-N 522.649 6.499 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1 101367347 SVJZNHSHOZDVOT-LJAQVGFWSA-N 549.539 5.620 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101372404 MUDMGCYHGULWTO-DEOSSOPVSA-N 618.555 6.552 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 101377017 HFQOOCQJFBRQLA-MUUNZHRXSA-N 544.604 5.719 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 101377135 GNVXPAXSFKCHLI-LJAQVGFWSA-N 533.024 6.420 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Br)cc5)ccc43)c2)cc1 101381939 WTYWFDASDPWTDR-GDLZYMKVSA-N 567.439 6.774 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382998 ISETUJCTMDPNMV-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101389170 BRQAGTZDNZCKKG-YTTGMZPUSA-N 585.031 6.823 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCCC(C)C 101393349 YKLBWGSAVINMNI-WJOKGBTCSA-N 566.654 7.229 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101394208 ABSBZONCLHSGMB-LJAQVGFWSA-N 538.600 6.593 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101396039 BJPYOCZWRPCWMI-RUZDIDTESA-N 531.033 7.089 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 101396895 JDMBYEIMXXXUIZ-AREMUKBSSA-N 545.060 7.561 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 101398032 YWHKPHAXUSVKJP-GDLZYMKVSA-N 607.877 7.672 50 10 KKGE COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1OC 102957016 RCIJSZVEAKZJNO-KGZKHWSPSA-N 575.646 6.418 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741462 RLBWBWISNXIBLX-KVHSSYOWSA-N 607.744 7.474 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl 103880191 FRSGNAYVIBJOAU-ZSNJKBEMSA-N 584.503 8.111 50 10 KKGE Cc1cc(C)n(-c2ccc(N3CCN(c4ccc(/C=C(/C#N)c5nc6ccccc6s5)cc4[N+](=O)[O-])CC3)cc2[N+](=O)[O-])n1 105026492 MNVGPSFDBATPKJ-KQWNVCNZSA-N 606.668 6.306 50 10 KKGE O=C(N/N=C/c1ccc(C(F)(F)F)cc1)C1=NO[C@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1 150357366 BJPIGQCNFFVNGY-ZNGADUKFSA-N 695.017 5.310 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 150428876 CAHFABOPZMFAAI-BBPHXPRPSA-N 681.321 5.724 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 163377130 ZAZKRGPBWVXDBE-FLUNURKVSA-N 624.673 7.805 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 163802039 DWSMBBCAMFPGDH-JEPNHJGPSA-N 690.379 8.163 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214311907 RQBKJHKPLFHNSQ-NTFVMDSBSA-N 529.600 5.514 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 214357542 WZTFTAGVQGYHFB-PKAZHMFMSA-N 506.606 5.781 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)s1 235821361 CUILTOXMFFZSOT-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 252624604 PRMWPOHWRRRITB-ZDUSSCGKSA-N 503.312 5.018 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc2)cc1 254311313 YSZPUSZMVFUXBM-UHFFFAOYSA-N 535.629 5.412 50 10 KKGE CC(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C 254353915 YBLFDPKPNCWRAT-FMRJCRTMSA-N 524.507 5.953 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254450340 UVKPDFYULDVCCF-UHFFFAOYSA-N 546.775 9.390 50 10 KKGE CCCCn1c2ccccc2n2c(C(=O)NN=C3C(=O)N(CC)c4ccc(C)cc43)c(-c3ccccc3)nc12 254481767 LOQWCXWZDDLXKO-UHFFFAOYSA-N 518.621 5.565 50 10 KKGE CCOc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc(OCC)c1OCC 254487933 DVEUPOZPZYYRAU-UHFFFAOYSA-N 556.619 5.271 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc4ccccc34)nnc2-c2ccccc2)cc1 254819481 SMDPSGYNBFBSGP-UHFFFAOYSA-N 521.646 6.119 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(Cl)cc2)cc1 254841095 LASAPOPOHXYBDE-UHFFFAOYSA-N 518.038 5.808 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 257372435 HXHZBDGHMVVORA-FAHWYPEGSA-N 544.893 8.526 50 10 KKGE Cl[C@H](c1cc(Br)c2c(c1)CCCO2)c1scc(Br)c1Br 705476950 QJAIKDLQQOLVPB-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN(C(=O)OCc1ccccc1)c1ccc(N2C[C@H](COS(C)(=O)=O)OC2=O)cc1F 888085729 IGXHAKSADVBTKT-JOCHJYFZSA-N 596.750 5.292 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 1083817526 LAVSLNMQPNHPSL-BQLIBBPVSA-N 697.001 9.876 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C)c1 1083958185 DFVGBQTZILILLS-UHFFFAOYSA-N 540.357 5.697 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(I)cc2)cc1 1084032968 XWOUBVPPOLUAKJ-UHFFFAOYSA-N 500.336 5.033 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(I)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084045015 OJPTVWMAHUVLFZ-UHFFFAOYSA-N 611.889 5.079 50 10 KKGE COc1ccc(/C=C\C(=NNC(=O)CC(=O)NN=C(/C=C\c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084213010 GSIHQKHTEPMITA-WUXDFMQMSA-N 632.717 5.879 50 10 KKGE COc1ccc(/C=C\C(=NNC(=O)C(=O)NN=C(/C=C\c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084247212 QQUIUQDSOPKNSX-PVHRABQYSA-N 618.690 5.489 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1cccc([N+](=O)[O-])c1 1084272556 RMMGYUNZEBKFLF-UHFFFAOYSA-N 528.657 6.325 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084390037 KLPNVIOEBSWRDA-UHFFFAOYSA-N 523.214 5.690 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1cccc(Cl)c1 1084466725 JVMHXSYVJDBFIR-UHFFFAOYSA-N 565.522 8.027 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N 1084479136 SAUCPCNPRAVXRA-UHFFFAOYSA-N 543.421 5.890 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 1084483987 VDPFXFHXSIYQDX-YBEGLDIGSA-N 522.215 7.433 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751796 NCSCMRYDHTVXTD-UHFFFAOYSA-N 541.648 6.782 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2ccccc12 1772760312 AWXZFJMTAHJYJQ-UHFFFAOYSA-N 569.901 7.498 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12 1772760330 CTNMGSBXKWDMBQ-UHFFFAOYSA-N 535.456 6.844 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865688054 HQDQPYJDLAWWJO-PMERELPUSA-N 520.592 7.072 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc(Br)c1O 1865688185 MRBUALDQVRIAEX-QHCPKHFHSA-N 559.420 5.633 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690058 HTVNOMVIASFUCU-PMERELPUSA-N 558.613 6.543 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690289 NKMIQNVUROKSNW-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865695467 CZDAIPVZSCVSOD-LJAQVGFWSA-N 534.660 7.034 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCCCc1ccccc1 1865697644 YOQVBIKEPNLISA-GDLZYMKVSA-N 541.051 6.132 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700693 BGLCABIEQYBNSB-XMMPIXPASA-N 518.404 5.934 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703253 RLUQTHXBCXAJJN-SANMLTNESA-N 531.443 6.847 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703879 HXAZPRQKTKEBFZ-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704639 AORIWUKIXZFRBT-SANMLTNESA-N 575.452 6.247 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865705572 ZGGDGGUPVBZRSO-GDLZYMKVSA-N 575.068 7.307 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707339 UUTCPSUVHPBQQY-SANMLTNESA-N 570.477 5.352 50 10 KKGE CC[C@](C)(NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866933368 GAKBOXGXQMOAAV-NDEPHWFRSA-N 535.044 6.667 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749838 KDPOWCPPLFJPSI-MHIBAPTDSA-N 501.608 6.102 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872793285 RVMHLATYVLVNNF-SGWCAAJKSA-N 513.666 8.693 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872794225 PWCPFXISTKBLQE-UDWIEESQSA-N 507.442 8.077 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2Br)c1Br 1877359478 KEABWIZAIDETIH-HFDJDUASSA-N 532.715 6.255 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(Br)cc(Br)c2)C1 1900368622 WVYBSTAQHIDRLP-UONOGXRCSA-N 561.052 5.151 50 10 KKGE CC1(C)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568920 NJPYQRUNOUXGLH-XINAWCOVSA-N 517.853 6.763 50 10 KKGE Brc1sc(Br)c([C@@H](Br)Cc2ccccc2)c1Br 1924579648 IHBOXHCWOGNBTN-QMMMGPOBSA-N 503.879 6.714 50 10 KKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924592098 WPUWBAICSBCIPU-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593301 DLSDDUUHPRADLT-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1c(Br)sc(Br)c1Br 1924596326 MWLYFRRNNKBFDJ-VIFPVBQESA-N 650.193 7.731 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CC[C@@H]3C[C@@H]32)c1Br 1924613972 MCASUPGJDXZYNF-OOJXKGFFSA-N 507.911 6.908 50 10 KKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614296 XHIVWGADWYIFAD-FZGKIIIMSA-N 511.899 6.285 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cc(Br)c(Br)s1 1925568765 MHSCPSLMSZSMTC-RXMQYKEDSA-N 520.320 7.732 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(CBr)c(Br)c1 1941556830 RFPAXPKFCUVCPK-UHFFFAOYSA-N 581.815 5.047 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)cc1Br 2004902453 MBYDTBXSXFZDJE-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(I)sn1 2056486595 CEOVHJYEVCCKMY-LBPRGKRZSA-N 502.997 5.393 50 10 KKGE COC(=O)c1ccc([C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCN2C(=O)OCc2ccccc2)cc1 2069727195 WNAMOBFMCLSFSN-AFPLUKJUSA-N 607.823 6.892 50 10 KKGE FC(F)C(F)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494401 LQPNKJIMAWWFQK-ZETCQYMHSA-N 586.635 7.073 50 10 KKGE BrCC(CBr)(Cc1cnsc1Br)c1ccc(Br)cc1 2119233052 DORDQZASHUCQAL-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc1Br 2138856266 ZQQBNYIKGWCCGS-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2202346951 IYVIZDVKWJXORJ-AWEZNQCLSA-N 550.843 6.806 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206394096 DRCJONYHVUUNIA-NSHDSACASA-N 676.060 8.637 50 10 KKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396989 CWKZRRANNLBPCD-MLUIRONXSA-N 606.719 6.844 50 10 KKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1 2207264757 JJXLZHWYZBWRAW-ZDUSSCGKSA-N 510.951 5.641 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225633586 KDJLOTQYGOMDKS-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1I 2235609629 CGRWNOUOTPMZOA-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE O=C(Nc1ccc(OC[C@H]2C[C@H]2Br)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2243589676 SKBPGJRTNCQGJL-IQMFZBJNSA-N 508.368 5.908 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1scc(Br)c1Cl 2272721470 IPDVKVMBQIANCT-VIFPVBQESA-N 515.826 7.295 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2279056671 QKFVZYAOQJFFRI-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Cc1ccc2c(c1)N(Cc1ccc(Cl)nc1)C(=C(C(=O)C(Cl)Cl)[N+](=O)[O-])N2Cc1ccc(Cl)nc1 2297313234 NYKMSXLZPXDXMX-UHFFFAOYSA-N 553.233 5.937 50 10 KKGE N#CC(=Cc1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 2297326847 OZTRVPUNNMHQPL-UHFFFAOYSA-N 504.352 6.415 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1 2313518530 HTXAETAYAHORCC-UHFFFAOYSA-N 637.699 7.230 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518637 MRZVCAZYZAKHTM-UHFFFAOYSA-N 624.218 6.639 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521519 UCBAFTKHJQVGBB-UHFFFAOYSA-N 603.800 6.376 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592121 MEAGWLVGGCEBDX-SANMLTNESA-N 532.065 6.537 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C(C)=C(C#N)C2=O)cc1OC 2314616574 DYXGGZVVZIKXTN-UHFFFAOYSA-N 584.632 6.138 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314617087 QKZSHZGNSKNFSZ-UHFFFAOYSA-N 563.455 6.403 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314618450 NVDJCSLBFBCHFV-AREMUKBSSA-N 631.758 6.067 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 2314634132 QEMNJTSBHPCTOX-VWLOTQADSA-N 503.352 5.295 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643312 PTYNPPLDXNCBDK-UMSFTDKQSA-N 593.079 7.463 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C(C)=Cc2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 2330534942 WTQKEZFFTZXQSX-SANMLTNESA-N 534.037 5.608 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccccc2Cl)cs1 2331265801 ASMXUEFTHBDRIH-UHFFFAOYSA-N 518.381 6.867 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 2331445429 VECKVZGZEUEAMA-UHFFFAOYSA-N 510.659 7.683 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089167 VKTSRMURNRTXGZ-SNVBAGLBSA-N 540.246 7.152 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364236180 QVBPHOHKBDTAHV-VIFPVBQESA-N 531.868 5.509 50 10 KKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3Br)ccc21 6286727 HBMWWAVAXHVQOI-MUFRIFMGSA-N 506.444 6.404 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 33722739 IGLBHGJUOXDBDH-ULJHMMPZSA-N 508.599 6.716 50 10 KKGE N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33930414 KXWWOARRECFKBG-BKUYFWCQSA-N 517.463 6.891 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(C)cc1 34808312 NCHUCDUFVVTMEX-JMIUGGIZSA-N 513.229 7.172 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCC(C)C 38684118 JCQZPFKOIBJURU-HHHXNRCGSA-N 500.551 5.176 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686514 ULWILZUWAWELFM-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12 58892535 BDZFQDZFACOEDA-XQFNZYGSSA-N 517.423 6.145 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 59304461 RTUAPLBZYZGYFH-ZCTHSVRISA-N 520.545 6.393 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 59372423 BVAYXHHHNTVNPM-NJZRLIGZSA-N 526.662 5.417 50 10 KKGE C/C(=N/OCC(=O)N/N=C1/C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1 96022526 YDARTFKXMBTQFM-MNNLNQSJSA-N 624.539 5.717 50 10 KKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100261373 ZMGNWIFSORKMGZ-KKSFZXQISA-N 592.328 6.262 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101314711 VYMUBCXPUXQWMO-VWLOTQADSA-N 529.017 6.865 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101338967 AFOFCGSGTDZZIU-PCLIKHOPSA-N 507.550 5.372 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340673 HYNYJPGIXWZSIL-WPWMEQJKSA-N 549.030 6.384 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1Cl 101363850 NEABLVZVLAIZRK-QFIPXVFZSA-N 560.231 6.592 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OC)c2)cc1 101367726 CWKNPESLWWFNMN-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101374466 KNOVVIRLCCQJEW-NDEPHWFRSA-N 577.475 6.854 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 101375568 QBAFGDRQOOAAPT-GDLZYMKVSA-N 530.596 6.621 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381579 BAUGBUPCBROHFS-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101383059 OWQKLWFJTPGGRH-HKBQPEDESA-N 567.041 7.145 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387269 LYFHUAOOPFRYHB-JGCGQSQUSA-N 615.057 6.886 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101388056 GBSZWIPCVULJFB-HKBQPEDESA-N 567.041 7.064 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388574 LNOAXMSAFVEULE-YTTGMZPUSA-N 617.485 7.174 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)sc2c1 101397724 DIMWFSZURWRVBE-LJAQVGFWSA-N 597.067 8.019 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)oc2ccccc12 101398644 AKPKWCFTNIUMIW-SSEXGKCCSA-N 546.554 6.897 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCc1ccc(Br)cc1 102932920 VIUAIMKFOWPWBK-YVLHZVERSA-N 542.773 6.144 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O 103879543 RVGNIUAVMCBDQO-QPSGOUHRSA-N 546.997 5.198 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)cc2)cc1 105425529 MIQWJKXBUUDLFO-LGUFXXKBSA-N 524.649 8.101 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)OC1CCN(C(=O)CCCC(=O)NNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 150651156 WCSUBOQGEYGSMF-UHFFFAOYSA-N 671.823 7.053 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214324355 RZWACIPTIQOAHT-DNMSLHDBSA-N 564.686 6.044 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 214346389 YWNOXCIZXMGLOR-ONUIUJJFSA-N 532.575 5.522 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214387457 RQCRPHISKNIHAP-QRQIAZFYSA-N 588.689 6.563 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(Br)cc3c2OCC3)c1 232481908 YYGJDRAZBZBBJM-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(Br)c1 234975132 HOKUKXHYLQMDMM-CQSZACIVSA-N 516.398 6.153 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2cc(Br)sc2Br)c1 236068131 XZMFGILBXBPATB-JTQLQIEISA-N 524.297 7.173 50 10 KKGE c1ccc2c(c1)S[C@@H](c1nc3ccccc3s1)N2SSN1c2ccccc2S[C@H]1c1nc2ccccc2s1 245204823 HRDIFRABTALIKP-NSOVKSMOSA-N 602.882 10.039 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Br)cc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1 252629201 UAYLMNUYPUIYOG-UHFFFAOYSA-N 701.983 6.334 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)n2-c2ccc(C)cc2)cc1 254303304 SUUXLKDSOJYNKE-UHFFFAOYSA-N 551.676 5.296 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254349135 LWXNLNXICBTMCK-UHFFFAOYSA-N 575.738 7.575 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 254492776 KBYARBJYGXPWCE-UHFFFAOYSA-N 591.318 6.255 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1 254517151 ORSNRXFHUUWNMT-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)COc2ccc(I)cc2)c1 254558214 KOFFHJLDIVTQRQ-UHFFFAOYSA-N 595.231 5.170 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256018959 CGUIOIFLDYWASS-LFMILDBZSA-N 712.523 7.472 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024959 KJASBUNXPWZRDN-MKGJSZRDSA-N 714.752 12.441 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(I)ccc2F)C1 382713643 IQWXMOGVYWDURJ-WMLDXEAASA-N 565.164 5.218 50 10 KKGE Clc1ccc(I)c(C[C@@H](CBr)Cc2ccc(Br)cc2)c1 405531641 MZXDKDPMOIYOOM-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE CC1=C[C@](C)([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)C=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 575431821 WPPKIVXCCTVHEU-DXQCBLCSSA-N 658.806 9.603 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](COCc4ccccc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)c2n1 616584558 DNQQQUKMIXASQI-VIDBYJMGSA-N 757.946 7.292 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCN4CCCCC4)cc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616589805 LCGCTFBLCJOHMA-ZPIXQJPCSA-N 890.093 8.077 50 10 KKGE O=C1Cc2cc([C@H](Br)c3scc(Br)c3Br)c(Br)cc2N1 705464210 MPJXDTZZAJQJCB-NSHDSACASA-N 544.888 6.015 50 10 KKGE CC(CCc1ccccc1)=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 725427426 UWJDRJCUSKTKBC-UHFFFAOYSA-N 518.466 5.622 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084010540 XJIAXVOCRLQQLV-UHFFFAOYSA-N 645.634 6.867 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)cc1 1084021487 MVGOYVOGFDNCBB-UHFFFAOYSA-N 640.762 5.246 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084081463 FUMCBTKGBQKTNI-UHFFFAOYSA-N 639.086 5.190 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1 1084090492 UPXPRTUIPLHAOM-PXLXIMEGSA-N 658.334 5.897 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3[N+](=O)[O-])cc2)cc1 1565517575 OPGRCOARPKXRFP-LVIAFSKGSA-N 587.673 6.465 50 10 KKGE O=C(N/N=C1\c2ccc(Cl)cc2C[C@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)c(Cl)c1 1614360632 QFPJNNANVGWJKC-MEZKRYESSA-N 540.209 6.320 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 1615961713 HUVFLYLOFZETGG-SMDANNQJSA-N 575.684 7.218 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434930 QYWAENWZQGVWKH-LZNHRBNJSA-N 691.460 7.202 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)ccc1O 1865681048 CZJBEUPDUPUFDB-GOSISDBHSA-N 508.859 5.065 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688993 GVDBVCCXHIRRBL-LJAQVGFWSA-N 506.606 5.993 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865690248 MPYTVBDHWWYPOZ-HSZRJFAPSA-N 503.389 6.463 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865691447 SCCUCLSTUKJTII-HXUWFJFHSA-N 518.923 5.950 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)c1 1865692450 BMOQLAUKUIVOQB-VWLOTQADSA-N 512.997 6.208 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693130 LVDJCTJJPRHVCH-HKBQPEDESA-N 570.649 6.662 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(Cl)c(Cl)c3)cc2)cc1 1865694271 WICLQXSCSDWKMZ-HHHXNRCGSA-N 531.443 6.652 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694468 VTSVLJGMAQCSFR-NDEPHWFRSA-N 541.051 6.674 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865695469 CZLDKSJFURAADZ-MRXNPFEDSA-N 525.712 5.290 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696461 NJJPFVNBSWOVHI-HXUWFJFHSA-N 534.241 5.877 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865704777 DLEKKUGXQWLZQL-VWLOTQADSA-N 531.443 6.911 50 10 KKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712301 VDBGFFPXSAVLQK-LJAQVGFWSA-N 520.633 6.232 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998724 ZAYPPENGHZFPSK-RRPNLBNLSA-N 584.525 6.598 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2cccc(Br)c2)c2nccs2)c2ccccc2)cc1 1867041143 WXZAFXGQILIXSI-UKILVPOCSA-N 577.529 6.497 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117751 UZYBGERQBYRZAZ-BVAGGSTKSA-N 507.606 6.374 50 10 KKGE Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)CC1 1868342006 HMKNTGLNEMTSLM-UHFFFAOYSA-N 560.131 5.866 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)c1 1868565146 JECGYZZGLNCBEV-UHFFFAOYSA-N 508.651 6.466 50 10 KKGE CC(C)(C)c1ccc(CC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)cc1 1868565737 NDQAVKAFEGNALX-UHFFFAOYSA-N 534.733 7.612 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1872751990 YLDUTBFKLANRAG-UZYVYHOESA-N 516.450 6.646 50 10 KKGE FC(F)(F)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073991 FJINQDQKAWECKP-MRVPVSSYSA-N 513.398 7.430 50 10 KKGE Fc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579918 LUJXTSPBFAJXQA-YFKPBYRVSA-N 513.871 6.721 50 10 KKGE Fc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924608064 CRGSEFKUXPYZMU-ZETCQYMHSA-N 560.277 7.452 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1cc(Br)sc1Br 1940445049 HTTUHGCWNWTXRC-SECBINFHSA-N 506.428 6.400 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982457214 GPFPZETXWXHPJF-LJQANCHMSA-N 504.104 6.633 50 10 KKGE Cl[C@@H](c1sccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085495656 MGLMCWMBFHXYSF-SNVBAGLBSA-N 603.193 7.889 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 2087333001 PPMHWEFBYLVMKM-HNNXBMFYSA-N 514.064 6.798 50 10 KKGE CO[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265856 COZPKMWJQWILGD-JAGXHNFQSA-N 541.925 5.912 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123844 SQAHVMAANFZSQI-KCJUWKMLSA-N 501.456 7.578 50 10 KKGE CO[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471171 OTIXOGCYIJHKSN-NFNXHLSSSA-N 540.315 6.832 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1c(Br)cc(Br)cc1Br 2173613983 AIUNMLGFMGOZMW-AXTGTSHSSA-N 531.908 6.695 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2sc(Br)c(C)c2Br)C1 2182022372 RJYBSEOYMJFXII-GEOGLEFRSA-N 501.000 6.375 50 10 KKGE CC1(C)CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398131 RFIJALQLXSRKMW-RTHLEPHNSA-N 552.370 8.233 50 10 KKGE Oc1nc2ccc([C@@H](Br)c3ccc(Br)cc3I)cc2o1 2207273359 UGWDXRYASJZLQK-CYBMUJFWSA-N 508.935 5.385 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csc(Br)c1 2213493908 YKCKFALAFAJKDU-NSHDSACASA-N 507.842 6.659 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 2232148682 QRHPYDCQLQVEIY-GFCCVEGCSA-N 534.844 7.039 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283575772 YBGPAXXOXZZWLY-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Cl)c1Cl 2283577832 NYKVZSZGGFJKPV-LBPRGKRZSA-N 506.392 6.744 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818741 QLSYJKBJUYGQTE-IEBDKBBASA-N 827.244 14.626 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2295523576 VGKQCSLUFVSQBK-UHFFFAOYSA-N 600.311 5.207 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1C 2296506811 GDWUGSKWISOTSW-HSZRJFAPSA-N 522.457 6.675 50 10 KKGE C[C@H](N=Cc1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1ccccc1P(c1ccccc1)c1ccccc1 2296604829 SOPVXXDQRYTLSN-NDEPHWFRSA-N 601.686 9.010 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccn3c2=O)cc1 2296717885 CKHAWOSIPXFPLO-UHFFFAOYSA-N 546.652 5.548 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2307417364 KZYOIIZVDQGGMI-VUEDAWARSA-N 509.883 6.039 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1 2313563461 WLOWAQJVIHVFQE-UHFFFAOYSA-N 569.130 7.794 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1C#N 2313566908 DEOLATJKNGWZBL-UHFFFAOYSA-N 618.475 5.396 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593049 GLMBXHRSHPFDMP-QYBDOPJKSA-N 550.511 6.859 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314621143 ZNEFMZMYJHOQCG-UHFFFAOYSA-N 630.701 5.599 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 2314646853 RKKHEMVLNFTAFX-JGCGQSQUSA-N 696.785 6.044 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1)Cc1sccc1I 2316667571 RJNCSLJEBJFYPM-LLVKDONJSA-N 500.037 5.912 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sncc1Br 2317423034 MQGGIYRFRXWHTB-VIFPVBQESA-N 522.857 6.362 50 10 KKGE Clc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(I)c1 2317772519 DIVAUSZNOPWDNL-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE COc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2317956609 BLRYRQGAZIAWJU-GOSISDBHSA-N 502.655 7.236 50 10 KKGE Cc1scc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2320496177 VDXWLUVLXJCEGM-GFCCVEGCSA-N 517.906 7.023 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 2331305522 NYPNTXACMALLAL-IBGZPJMESA-N 503.580 5.231 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(F)c(F)c2)cs1 2331351862 HPDNUFYAJAEUSA-UHFFFAOYSA-N 511.775 7.156 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2336043503 FTHWGQGHENRKPF-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)s1 2339654397 SKHRAAUCGLHXDH-VIFPVBQESA-N 511.863 7.512 50 10 KKGE Brc1ccc(I)cc1CO[C@@H](CI)c1ccccc1 2341838143 OLVZBGORFOOLNB-HNNXBMFYSA-N 542.980 5.747 50 10 KKGE Cc1c(Br)cccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362225839 RTBBEASYDUNSMA-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364072444 VVRZQDQALXOZTO-SECBINFHSA-N 552.286 5.854 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Cl 2364234290 IVHUUAVRWPKVRH-SECBINFHSA-N 550.314 6.462 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 38686858 HEVDMPOMWZXYHP-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE CN(C)c1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58988566 RWCISWWWWFNTFY-JBASAIQMSA-N 512.683 5.141 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 59474954 QOIIWLVOTBAYAV-WOJGMQOQSA-N 502.352 5.417 50 10 KKGE Cc1ccc(C(=O)Nc2ccc(SSc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)cc2)cc1C 59522504 RLWOLJDANXWTSE-UHFFFAOYSA-N 512.700 8.224 50 10 KKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(Br)cc1 100061996 NLQMNUJYRCUOHO-WYMPLXKRSA-N 555.064 6.047 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100213530 MYOKBMVXFTYOBY-XMMPIXPASA-N 533.422 5.653 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100232067 XLBPLBIPNCCTNX-AKDZIANASA-N 555.425 5.119 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1 100237786 JWBSQQNTHSUVEI-PVYGGJOHSA-N 572.443 5.541 50 10 KKGE Cc1cc(C)cc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100921648 OQSHLYQHSRZHCC-DOPJRALCSA-N 509.076 5.895 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245646 RMQVPVRMXHRHKD-OGCOBRASSA-N 572.008 6.741 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101334089 QHUQXDJVGZGGSM-KOWBDXASSA-N 545.437 5.701 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101335823 NKYMMGRBQWFRNO-CIAFOILYSA-N 529.420 5.600 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101336538 KHLOUVMCEVYXGU-MMOHFDRGSA-N 541.611 5.359 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 101338963 KVCWZRFNQCREJJ-TURZUDJPSA-N 536.701 6.966 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101338990 DVSCYFKXPRKLIH-GOJREDGKSA-N 618.737 8.196 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373591 FKBHVWYPOHXFII-XKDNJIINSA-N 565.453 7.018 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 101374265 LVJGGXXCQSRALC-LJDOSMTPSA-N 552.671 6.864 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OCC 101374710 CJFJDZLWAQATKR-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379862 JCBZUCVGJNLKFR-JGCGQSQUSA-N 581.068 7.391 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381179 DCHMXZVQRDIVSI-JVOYUQFCSA-N 599.470 7.418 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381705 GOHRUXCUSQZXBZ-PRAQEBQASA-N 536.559 5.996 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383140 QGLGIHPGVXESJB-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)oc2cc(Br)ccc12 101391178 KNBWBCXHEZXRJJ-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)oc2ccc(Br)cc12 101391908 MWMUNWXJLWVFDZ-QHCPKHFHSA-N 546.333 5.849 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 101393652 QPWXTTNGFLLODG-RUZDIDTESA-N 559.416 6.567 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399029 BXFBJXZHQJDLPW-UMSFTDKQSA-N 600.671 7.691 50 10 KKGE Cc1ccccc1CSc1ccc(C(=O)NNC(=O)c2ccc(SCc3cccc(F)c3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 101665515 JWVSBKMAFUMDMZ-UHFFFAOYSA-N 606.657 6.610 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCC)c(=O)oc3c2)cc1OC 101702201 WBBFEZAKFNGWBD-PXLXIMEGSA-N 532.593 5.413 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)ccc1OC(C)C 102779308 PWAMJPLBUBYVJS-MUUNZHRXSA-N 545.076 5.359 50 10 KKGE N#C/C(=C/c1oc2ccc(Br)cc2c1Cl)S(=O)(=O)c1ccc(Br)cc1 102927462 GDVHGSOJPQEBAN-JYRVWZFOSA-N 501.583 5.950 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1C 102933290 XMEFXYGIQIQGBI-GRSHGNNSSA-N 599.381 5.737 50 10 KKGE CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)C(C(=O)OCC)=C1c1ccccc1 103026044 LIGGWKZLVZBSCR-SXOMAYOGSA-N 546.067 6.446 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(C)=O)c1C 103626150 MXUOREZCWVLVLV-LFIBNONCSA-N 505.577 5.642 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2ccccc2o1 103877943 ASRZJYNAHICCRO-MUFRIFMGSA-N 546.364 6.534 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 103880980 NVNSTESSCSKQSC-KPGMTVGESA-N 560.423 7.085 50 10 KKGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(Br)cc1 104769128 WMWFWCFCWZSOQR-TURZUDJPSA-N 534.483 5.448 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 105098312 YKLHQKIHCDXWBT-DDLUMYACSA-N 530.249 7.119 50 10 KKGE O=C(Cl)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)Cl 137493565 QBASZLIIVUBZOJ-UHFFFAOYSA-N 518.608 5.495 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 150430286 RHTASFVRWJXWLM-JGCGQSQUSA-N 628.037 6.428 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 150430363 VUVPCYRWLGMLRL-ZZJXEYPFSA-N 718.757 6.491 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150462005 VXFFSJBEFYNBCS-NDEPHWFRSA-N 663.966 8.886 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484921 BTHOOLCGNBZXRK-RLYXKKHWSA-N 668.360 8.725 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 150486140 XVTQYWXKWVEDFS-PGUFJCEWSA-N 639.148 8.324 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 163744682 TXWDIWFALMZNFU-HYARGMPZSA-N 662.355 6.831 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(I)cc1 164608080 CJVPAVUZFDJTFR-VFLNYLIXSA-N 698.149 7.304 50 10 KKGE CN(C)CCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 212129712 QKWCTPTUWXTFRE-ZIADKAODSA-N 506.086 7.167 50 10 KKGE in-vitro C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212164890 ASZJPGBXLSDOQM-LAGRSENFSA-N 655.125 11.108 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214233694 KIAYGRSJEBHFFF-IMRQLAEWSA-N 522.649 6.417 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 214296737 LRXUJEJXZHMMNG-SWKFRHMKSA-N 566.702 6.517 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214310852 NKNYSOBDCRJINI-MWLSYYOVSA-N 543.627 5.762 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214323989 VITJRLHTTQMRKC-MRIYUWKKSA-N 536.632 5.406 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]21 214732443 BPGJURCSNNEWPC-CCJLISGXSA-N 665.117 10.165 50 10 KKGE CCOc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1Br 233802426 INFQURSEYKTBGX-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE CC(=NNC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 254507650 DBQZHMXYOBBZMQ-NKGGCWJSSA-N 541.720 7.857 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@H](Cc3ccccc3C)c3ccccc3)cc2)cc1 254832837 PXEYJOHSOBHURJ-GDLZYMKVSA-N 512.631 5.548 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1cc(Br)ccc1I 308441986 YLCYNBSWFZGNMB-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE CON=C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]1O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C 575448390 IBUWRFQPAQWUEY-NBIPIIKVSA-N 948.803 9.752 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721615118 RINTXUGKPQINJI-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3C#N)cc2Br)cc1 1083909565 BJZSNNNMIYOHPK-SANMLTNESA-N 580.479 5.661 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1083943374 QOSIWJWBRUXZQN-UHFFFAOYSA-N 601.122 7.260 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084055753 PKUZEDBQCNEUJX-UHFFFAOYSA-N 640.080 5.733 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)Cc2ccccc2)cc1 1084309873 UKHLVJJSKLOJHS-UHFFFAOYSA-N 609.546 5.206 50 10 KKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 1084334413 FGWGZKOVHMWXHZ-UHFFFAOYSA-N 500.646 7.241 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084356149 TYXNOZFINGMBBE-UHFFFAOYSA-N 652.571 5.169 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 1084437039 LYTQVZVCZREAAP-JOCHJYFZSA-N 627.704 6.250 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084446416 VTKDUQKVSYUSJM-NRFANRHFSA-N 561.111 5.940 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084483870 LJUHSYPMSYCDKK-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1I 1084549371 ABFWSVJOGJMOSE-UHFFFAOYSA-N 575.859 5.779 50 10 KKGE CC(C)(C)N(NC(=O)Nc1cc(F)ccc1OCc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1 1088669494 LFOVWPKUHOXUOD-UHFFFAOYSA-N 504.389 6.689 50 10 KKGE CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 1614653454 FDHAFFQMOUSTOP-CDAOMREXSA-N 509.675 6.115 50 10 KKGE O=C(NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)c1ccccc1Cl 1772742850 VSGHOCSHGMBTSN-UHFFFAOYSA-N 500.183 6.130 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749279 ZEYYJVHVVBOZEE-GOSISDBHSA-N 509.581 6.332 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687717 YRLPKPAWYJADEU-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688304 OXTLCWPUMTXTRF-FQEVSTJZSA-N 571.353 6.129 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695948 VQAYZSIPTJJICL-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696087 XIEYSSMGBIOXNC-RUZDIDTESA-N 517.416 6.539 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699901 GAWQRMUNRMTVPS-XMMPIXPASA-N 538.405 6.010 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1 1865701039 KHMVUHPUHAFRJE-MHZLTWQESA-N 530.987 5.838 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cc(Br)ccc1F 1865702125 NIRSGKAIXHQECD-QFIPXVFZSA-N 535.804 6.372 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866694442 JTWLHHHVMKYPJR-IZLXSDGUSA-N 506.631 5.347 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c3c2CCC3)cc1 1866854457 KPTJDKZOKDQPQO-RUZDIDTESA-N 576.509 6.221 50 10 KKGE O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2cc(OCc3ccc(CCl)cc3)ccc21 1871436787 QAJAURLSYVYWRM-AQHIEDMUSA-N 513.771 6.250 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753434 WXGAKPXMRHTZCO-WBVCGYLZSA-N 500.605 5.502 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872781762 PECXUFUMCQEJIG-VGOFMYFVSA-N 524.267 7.741 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(OCC)c1 1872794249 QXBJQLDZOMAPRA-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915091758 BQPRNXOFUUAGPP-CYBMUJFWSA-N 506.609 5.714 50 10 KKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915749354 IXOQCWFVSRAGIZ-UHFFFAOYSA-N 505.172 6.428 50 10 KKGE Clc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923054737 JLHBRFBZADDDRN-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2013840541 XUKBUCXLDZIXPH-DSYKOEDSSA-N 511.899 6.287 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)ccc1I 2026133170 QZYAFDQMTDZABF-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cccc(F)c2I)s1 2029236080 FMFYCDATFPRBPB-LLVKDONJSA-N 504.000 6.301 50 10 KKGE COc1ccc([N+](=O)[O-])cc1N=P(C=C1N(C)c2ccccc2C1(C)C)(c1ccccc1)c1ccccc1 2053615039 VZPJFZLURZMNAW-UHFFFAOYSA-N 523.573 7.356 50 10 KKGE CCc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2141469777 WVMXRQHMFAEQRG-ZDUSSCGKSA-N 580.734 7.376 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2141470898 MAVGQFCSGXSSPT-INIFJCPBSA-N 538.299 6.442 50 10 KKGE Fc1cccc(F)c1C[C@H](Br)c1ccc(Br)cc1I 2142278741 HIOGFSYGRLIVFF-NSHDSACASA-N 501.934 6.011 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)cc1Cl 2142279401 PSVAHLTXFLXCBA-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE COc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)cc1Br 2202913302 YWQKDRCXPTVMAJ-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2203007589 AILXFBMFICXWQU-GFCCVEGCSA-N 548.294 7.120 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CCC2CCCCC2)c1Br 2206397058 DQOSBLKZOTUJNX-JTQLQIEISA-N 596.821 8.533 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399018 BIRYCJSABLEPHW-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(I)c(C)c2)cc1Br 2207110460 HIXHFTUYKYBBRC-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2sc(Br)cc2Br)cc1Br 2258103465 LKAUIQQXQSDZRX-JTQLQIEISA-N 542.287 7.312 50 10 KKGE Fc1cc(C[C@@H](Br)c2ccc(Br)cc2I)ccc1Cl 2277903275 QJUMLEDKOZDXMC-LLVKDONJSA-N 518.389 6.525 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)c(C)c1C 2284588528 HVGVJLUGRZBPDG-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288344657 MGEANMJUXNPHEW-NSHDSACASA-N 537.793 6.876 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccccc2)cc1 2293757878 WWVRFQQSZBEKCU-UHFFFAOYSA-N 518.042 5.807 50 10 KKGE COc1cc(C=C2C(C)=C(C#N)c3[nH]c(=N)c(C#N)c(C)c32)cc(Br)c1OCc1ccccc1Cl 2294133772 JGNSUPZDGKHDLF-UHFFFAOYSA-N 547.840 6.529 50 10 KKGE CC(=O)OCCCCCCCC=CC(=O)O[C@@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818661 AUXPKBDZZOGTOQ-SSEXGKCCSA-N 510.715 7.699 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296615732 LOIFXVBWLQFXKS-UHFFFAOYSA-N 505.983 5.349 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2297458511 RXRCDSISIPEEDJ-UHFFFAOYSA-N 518.986 5.403 50 10 KKGE O=C(COc1ccc(Cl)cc1I)NN=Cc1cccc(OC(=O)c2ccccc2Cl)c1 2297708064 BEEGAOGYNXPGAZ-UHFFFAOYSA-N 569.182 5.346 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2313571510 XZYIPYSUKRIILA-UHFFFAOYSA-N 545.806 6.868 50 10 KKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 2313630883 HDHSWZRXHLJVEZ-UHFFFAOYSA-N 504.373 6.329 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519543 SEJQZZJRJUCAKR-UHFFFAOYSA-N 509.978 7.289 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571600 IIYGYPKQFKSSRI-UHFFFAOYSA-N 518.335 7.549 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593120 HTVGEZKYRRUVHD-QFIPXVFZSA-N 500.451 5.845 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)cc1Br 2316770591 OUPJXDVWCONTRO-SNVBAGLBSA-N 544.836 7.045 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)nc2scc(-c3ccccc3)c2c1=O 2320486460 XYBPSECCNUJRFV-UHFFFAOYSA-N 516.692 5.851 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc6c(c5)OCO6)cs4)cc3C2=O)c1C 2331334024 YPLINCJXUCRMJE-UHFFFAOYSA-N 521.554 5.906 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)c(OC)cc1Cl 2331376917 JQYYPHLFBOPINE-UHFFFAOYSA-N 512.971 5.921 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c(OC)c1 2331473359 QAGWFMGCAHGYAS-UHFFFAOYSA-N 522.218 6.122 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)co2)c1Br 2339679593 NDRJECIGYHFUCW-NSHDSACASA-N 517.837 6.368 50 10 KKGE CC1(C)CCC(CBr)(Cc2ccc(I)c(Br)c2)CC1 2349842389 XYCTUXXWSMVVHB-UHFFFAOYSA-N 500.056 6.578 50 10 KKGE C[C@@H](CBr)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349849050 ZLKMKHPPGNITDX-NHYWBVRUSA-N 501.044 5.439 50 10 KKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361204894 IJQATIHBTOAEIG-WGJMPDEYSA-N 506.156 6.574 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 14661693 LUYSCFVZEXMVGW-UHFFFAOYSA-N 509.474 5.974 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1Cl 38650990 LZGZNXUTPZDPLP-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655927 YBQPKCMTPFCOGV-RUZDIDTESA-N 509.389 6.466 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 58889520 QKHARDBSRRUCQK-ZZXJHYAVSA-N 507.417 6.690 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100083312 DZTAABGIJVKXCF-UHFFFAOYSA-N 561.329 5.548 50 10 KKGE CCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100150331 YLKMFTDENOWANR-UHFFFAOYSA-N 564.274 5.774 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100163945 KSHRLZXLECKBMR-GFCCVEGCSA-N 563.301 5.038 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100186866 GEVZIAJTUIHXLC-UHFFFAOYSA-N 584.536 5.937 50 10 KKGE COC(=O)c1ccccc1-c1ccc(C[C@@H](Br)c2ccc(-c3ccccc3C(=O)OC)cc2)cc1 100221869 KFCFCNYBPVPRAZ-MUUNZHRXSA-N 529.430 7.273 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 100227065 BCJHGQWCJGRQRV-WYDFGVIMSA-N 572.443 5.541 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 100232014 NNVYMLNCVROEDU-SLLOZXFSSA-N 545.861 6.044 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 100288126 JBHRKANERJEEGM-GFCCVEGCSA-N 607.137 5.401 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c(Br)c1 100288197 VAGTWCNNKKWPCZ-HNNXBMFYSA-N 556.295 5.454 50 10 KKGE Br[C@H](CCCCCOCCCCC[C@@H](Br)Cc1ccccc1)Cc1ccccc1 100329472 NDUXHEOFXBNAIH-CLJLJLNGSA-N 524.381 8.136 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccc(Br)cc2c(=O)[nH]1 101034048 BCZHDDOHJKHBLV-SFQUDFHCSA-N 528.797 6.256 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 101246217 VVUBLRKWFDUBJD-KTNRVYNWSA-N 539.701 6.801 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101335041 DNACNBWIBOSBPE-DPGRRRKKSA-N 631.758 5.752 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 101337003 KAVPBWMFNDNGGR-UPKGHWAZSA-N 536.632 5.408 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101378100 HJZYGUAHLQOEIC-GJBXTBEHSA-N 568.714 7.750 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 101378275 HHOHOILQTAUNLR-MUUNZHRXSA-N 544.604 5.719 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381069 CWEKDGMOSCKSAA-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381703 GOHRUXCUSQZXBZ-WENCNXQZSA-N 536.559 5.996 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OC(C)C)cc5)ccc43)c2)cc1 101382207 YWCMGJFGFMFISV-YTTGMZPUSA-N 546.623 6.799 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384173 KOOAIMKZUUSORX-PMERELPUSA-N 536.559 6.241 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387360 LXUPRIMJAVEEKY-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(C)cc1 101387642 BTFGLNPGTPLXNY-YTTGMZPUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101388857 KYZLALKQWXKWFU-MGBGTMOVSA-N 580.612 6.314 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101393632 BQPHYPAIXUSIAU-RUZDIDTESA-N 579.834 6.912 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)oc2c1C 101397689 IYRJNPFQAHQACJ-WJOKGBTCSA-N 591.063 8.028 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101766502 CXVDTDUTNBOWNT-CCVNUDIWSA-N 560.286 6.443 50 10 KKGE N#C/C(=C(\S)NC(=O)c1ccc(Cl)cc1Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102942206 PEPXKPHDBJDEQP-BYCLXTJYSA-O 534.428 6.340 50 10 KKGE Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2ccccc21 103593153 GUDSLLNFEFWKMX-LYBHJNIJSA-N 548.672 5.665 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccccc1 105062818 NGBMRZSZLMVPLG-DPNNOFEESA-N 563.437 6.954 50 10 KKGE Cc1ccc(OCCOCCOc2ccc(/C=C(/C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2)cc1C 106500587 QYCCISYLDYELSZ-PLRJNAJWSA-N 540.645 5.946 50 10 KKGE Brc1cc([C@H](Br)c2csc(I)c2)sc1Br 128217043 KUGZCHPEGBBLJJ-MRVPVSSYSA-N 542.881 6.424 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(N3C(N)=C(C#N)C(C(F)(F)F)(C(F)(F)F)C4=C3CCCCC4)cc2)nn1 140352507 FMNPYJNRBKCZFH-UHFFFAOYSA-N 588.534 5.129 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1Cl 150464128 UOKGSGUBUCCOCG-RUZDIDTESA-N 658.963 6.826 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 164635275 CCFHSYYBWWEHOI-KVSWJAHQSA-N 668.123 7.214 50 10 KKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(Br)cc2Cl)c1 168968832 INTDRGMGYFMVGZ-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE CC(C)[Si](OC[C@@H]1N=C(c2cccc(C3=N[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](c4ccccc4)O3)n2)O[C@H]1c1ccccc1)(C(C)C)C(C)C 196101438 ZXXAWUDDULHJTE-MFDNGWNGSA-N 742.166 11.239 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 206545954 MPPRXKURXQGMCL-QNGOZBTKSA-N 500.551 5.157 50 10 KKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209396362 PJFSJMRUDQWNNS-PXNMLYILSA-N 501.386 7.078 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214273374 VOUQXHVKRXORKH-LQNQUEJISA-N 560.629 6.506 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214433017 MJLXJWDRFFZUNM-VAMRJTSQSA-N 610.711 5.670 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)ccc1I 232345241 QNVZJYFAJKWBDM-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254301322 FJJYTUOBEIVVOJ-UHFFFAOYSA-N 529.681 6.546 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Br)cc(Br)c2)C1 382711719 HNEZEEHPFREAGQ-YJBOKZPZSA-N 532.070 5.959 50 10 KKGE CCc1cc(C)sc1[C@H](Br)c1cc(Br)ccc1I 386849894 SOXCFXTXTLIKJL-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE CCc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 725274339 WGPHTZBHUXETIM-UHFFFAOYSA-N 503.400 5.393 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)ccc1O 1084018207 OULWBTWXLUSFIT-UHFFFAOYSA-N 578.090 5.912 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1 1084022212 DBVBORIPLOOXDH-UHFFFAOYSA-N 593.547 5.506 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084123490 PFSZJUOCIFYPLJ-AREMUKBSSA-N 569.496 6.098 50 10 KKGE CSc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 1084172785 IENYQJKRIBAFSW-UHFFFAOYSA-N 508.452 5.061 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084240375 ZFBZUOHGDVRHTP-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084241808 RKWNIYOCGPELJZ-XMMPIXPASA-N 565.881 6.597 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 1084272588 DGKPPEWNVXHOBD-UHFFFAOYSA-N 530.362 5.041 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc(C#N)c1 1084502735 OCNHQIMLJUPEEI-UHFFFAOYSA-N 512.791 5.716 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1c2ccccc2cc2ccccc12)c1ccc2c3c(cccc13)CC2 1084633979 IZVIADHPHZYHJT-UHFFFAOYSA-N 507.615 5.161 50 10 KKGE CCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720459 OWGPBFVXLJDIGJ-UHFFFAOYSA-N 600.764 5.278 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745789 HIAWTETWUOULGD-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCC(C)C 1772755039 IRRMUBWAPFTTCU-UHFFFAOYSA-N 504.077 6.139 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665483 MYCARRQNTBVVPF-AUZYXSGWSA-N 521.295 9.920 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685094 FKROMRXVKMCJNJ-QFIPXVFZSA-N 502.933 5.567 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685790 NHGYEYWPMQBIGZ-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687860 BYJVTYSSIABQEJ-MUUNZHRXSA-N 514.585 6.236 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865689859 XUNAZTXWKDUSRN-MHZLTWQESA-N 522.605 5.623 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865690893 DMGMYSMBISGOOM-XMMPIXPASA-N 540.586 6.445 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865691606 WHEIGQNPSPWGPX-DEOSSOPVSA-N 515.400 6.629 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695204 MQALYWTXFXDFMM-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1C 1865703369 UVXAULUVBGHBHJ-SSEXGKCCSA-N 520.633 6.053 50 10 KKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 1865711676 FOFSIOIYYIIWMS-UMSFTDKQSA-N 568.677 6.924 50 10 KKGE CC(C)c1ccc([C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866956868 YIAQDNHICSVYKL-WUFINQPMSA-N 517.670 6.628 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@](C)(CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867222545 ZLBMEOOUFMYWSX-LITSAYRRSA-N 536.097 6.757 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)[C@@H]2CC(C)C 1868207238 KTBLPRGQFIBPJQ-GDLZYMKVSA-N 519.718 7.843 50 10 KKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413862 DJDLTZJHHDXMCF-SFHVURJKSA-N 512.082 8.061 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4cc(OC)ccc43)n2)c1 1868505606 JYZAJYKRTHLRTA-LJQANCHMSA-N 509.635 6.808 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1872756942 IRHIYSYBKGQQTF-QOCHGBHMSA-N 503.451 7.703 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)cc(Br)c2O)n1 1872791532 KRDATKQRBJJNQT-AWNIVKPZSA-N 506.219 6.422 50 10 KKGE ClCC[C@H](COCc1ccccc1)NCc1ccc(I)c(Br)c1 1904336811 BEAYPBSCACNUQJ-MRXNPFEDSA-N 508.625 5.358 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915778167 ILTCYUSESDTJCE-UHFFFAOYSA-N 551.060 5.870 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)Cc1ccccc1I 1923067292 ARQLWSMWRCGSPX-SSDOTTSWSA-N 540.873 7.054 50 10 KKGE Cl[C@H](c1ccc(Br)cc1)c1c(Br)sc(Br)c1Br 1924586280 VYZBRHZFIIQYLQ-SECBINFHSA-N 524.297 7.126 50 10 KKGE Clc1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595335 XTTUUOMNIJTUBN-VIFPVBQESA-N 558.742 7.780 50 10 KKGE COc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924599383 GSESRTBRDPXNSK-JTQLQIEISA-N 554.323 7.135 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924601491 XWSQNNMWAAFBDG-SECBINFHSA-N 598.774 7.291 50 10 KKGE CCCC(C)(C)OOC(C)(C)[C@H](CC)C1([C@@H](CC)C(C)(C)OOC(C)(C)CCC)C[C@H](C)CC(C)(C)C1 1933223687 SJVUGAIYXOTMTL-PVHODMMVSA-N 526.887 10.482 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)c(Br)s1 1939962660 PXDMESJQYSVCJA-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE O=C(NOCCCNC(=O)c1ccc(CBr)cc1)OCC1c2ccccc2-c2ccccc21 1977669720 XHOXWMYPAGSOIT-UHFFFAOYSA-N 509.400 5.172 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1csc(Br)c1Br 2024292548 KFOTXUNYVZEVDG-JTQLQIEISA-N 524.297 7.126 50 10 KKGE FCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085493702 FWPAIVFAXMBTCB-NSHDSACASA-N 528.279 7.156 50 10 KKGE Cc1nc(C[C@@H](Br)c2cc(Br)ccc2I)sc1C 2085798784 VSEYTGMOTZNDRT-LLVKDONJSA-N 501.025 5.806 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(I)c2)c1Br 2136373034 YDAWVWMZZHTHJP-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141470264 FRGJACMEZRFKTM-YUMQZZPRSA-N 584.810 8.245 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2C[C@H]2CO1 2141470899 MAVGQFCSGXSSPT-TYDMIJCXSA-N 538.299 6.442 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccccc1OCc1ccccc1 2295359576 IBEYRTGIHVZUFW-OAQYLSRUSA-N 510.653 7.483 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1I 2297477208 HQOIRLDDNSMQNQ-UHFFFAOYSA-N 509.130 6.404 50 10 KKGE C[S@](=O)(=NC=C(C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2cccc(F)c2C#N)cc1 2297565024 OANCZMPUXHWUAC-PSXMRANNSA-N 550.515 5.199 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc(O)c2ccccc2n1 2314433920 XJUNFPHIAARXGV-UHFFFAOYSA-N 521.580 6.831 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)N1CCCCC1 2314476425 OIHJFUKEGHSXPU-UHFFFAOYSA-N 543.693 5.023 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NCc1ccco1 2314478125 FVFYZWULVZXKDB-UHFFFAOYSA-N 535.003 6.588 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(Br)ccc1I 2314497679 MPGNECNNFVBLGY-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Br 2314621158 ZXGSWKAUGLPVSB-UHFFFAOYSA-N 597.444 6.242 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 2314640720 QSTDPNMGZXJOOK-HKBQPEDESA-N 552.989 6.895 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccsc2Br)c1Br 2315439270 CDEABXXOSCXFJT-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE C[C@@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2324599273 JAGLAIUCWLVXMM-RUZDIDTESA-N 504.678 5.557 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 2331320172 LMJURZHQUFFAQR-AREMUKBSSA-N 505.599 6.127 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 2331376764 RTOAAUYURZWNOE-UHFFFAOYSA-N 508.640 7.135 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c(C(C)(C)C)c1 2331378648 MABWUYLQXNPZQO-UHFFFAOYSA-N 515.031 6.658 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331410972 YPFYXTXOXYAOAR-NRFANRHFSA-N 507.999 5.976 50 10 KKGE Cc1csc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337084207 IQNSNTWNJWLUTA-JTQLQIEISA-N 556.314 7.621 50 10 KKGE CC(C)CO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 2338886975 KQJXLVLYZCCXQB-HZSPNIEDSA-N 504.000 5.010 50 10 KKGE Fc1ccc(CBr)c(OCc2ccc(I)c(Br)c2)c1F 2377286878 MPCVLLKWBBNTRF-UHFFFAOYSA-N 517.933 5.806 50 10 KKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 11852121 AQHPFOSYXXOTRC-DHDCSXOGSA-N 514.821 7.500 50 10 KKGE CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5Cl)(c5ccccc54)[C@H]3C2=O)cc1 33356000 VRESEZXBDHULQI-ODJKJDCKSA-N 590.035 5.232 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 38683843 DIRAODQSWKDNCR-SANMLTNESA-N 515.522 5.220 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 38687298 BQOUSERFGDMHKA-HSZRJFAPSA-N 502.979 6.309 50 10 KKGE Cc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 40822079 FRVDFOMXUXQZOF-TURZUDJPSA-N 501.366 5.658 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 40950833 YDCDPWYXWJNLPE-OGLMXYFKSA-N 519.480 6.243 50 10 KKGE CC1(C)[C@@H](Br)[C@@](C)(Br)c2cc(Br)ccc2N1Cc1ccccc1 59500812 RXSOYNGXCLSJBR-MJGOQNOKSA-N 502.088 6.622 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 101013782 LTTZTYCNLUGICD-YFPBTJPSSA-N 581.698 5.191 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 101034068 XLVNZISGTXFGGI-RCCKNPSSSA-N 539.458 7.498 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101337917 KHHNIWAMJPYPFS-HWBIBUKPSA-N 500.639 6.788 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C2=O)cc1 101339969 FIGCRJLNULBAPT-FMFFXOCNSA-N 624.672 7.058 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101378230 QRACBNXCRQJGRH-MUUNZHRXSA-N 553.442 6.765 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383914 CZJASZUSMGCGKK-KTBRYMIGSA-N 564.613 6.558 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386040 FMGIGKOOSBMYDW-LJAQVGFWSA-N 617.883 7.127 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1F 101386736 ZPHXSFNIUFTNAI-YTTGMZPUSA-N 580.612 6.233 50 10 KKGE CCOc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 102913916 JPYXLBMEXJCDOS-QZURUXSQSA-N 624.162 7.632 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 103729307 XNJNKXDGAGYIDU-DFKUXCBWSA-N 562.623 7.579 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 103797332 FUETWGZAQXTRFC-AMVVHIIESA-N 558.259 7.574 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433542 KMDQLOUWEOJGBT-UMSFTDKQSA-N 659.566 8.443 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)sc2c1CCCC2 150485730 FWFXWFLHBIHXSQ-OJFFYPEQSA-N 660.192 7.206 50 10 KKGE O=C(CCCCCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)N/N=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 150635078 SENLTZWGRHLLDF-JNRLRHHSSA-N 673.553 6.983 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206303957 NJEDMQLLXJBCNZ-SVEUREPUSA-N 527.573 5.680 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c1 214299125 AHTBDNDSQNOOFV-RRAHZORUSA-N 538.648 5.737 50 10 KKGE CC[C@H]1CCc2sc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4oc3=O)cc2C1 254440620 IFUWALWMUYDWSQ-IBGZPJMESA-N 522.630 5.986 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 254801334 WSKTULGPDYDNCM-UHFFFAOYSA-N 500.628 5.141 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 254820322 XIYJCWRSSMHUNY-UHFFFAOYSA-N 527.602 5.087 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025135 OGHUVJCTSYYAOG-WFRISCJRSA-N 672.671 11.271 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@@H](O)[C@@]1(C)O 504782018 SGGANCFJEHZNCI-GVUJAXIFSA-N 979.452 7.344 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Br 1083912898 YTPFTIQUMQFEIZ-UHFFFAOYSA-N 503.849 6.557 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccccc1OCc1ccccc1Cl 1083913584 KEDPMMANFAUTLV-UHFFFAOYSA-N 513.000 5.679 50 10 KKGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 1084103737 MGQRTDVVYNJXPE-UHFFFAOYSA-N 520.010 5.478 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084255193 RMEHTWMAHATXIC-UHFFFAOYSA-N 566.690 7.019 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1084289443 ZBQWNRNYQBSENX-UHFFFAOYSA-N 658.522 5.104 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 1084294046 LKXHSZLBCRCZAU-WQRHYEAKSA-N 516.222 7.189 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Br)cc1 1084320300 TVMOJJQDKLEPCK-UHFFFAOYSA-N 535.305 6.003 50 10 KKGE COC(=O)COc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084386935 HTVGMMLNZXQOAC-UHFFFAOYSA-N 606.100 5.360 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1C 1084456308 OGBGDOCKFZBSEV-UHFFFAOYSA-N 518.411 5.900 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc(Cl)c1 1084463592 RMPHRRGWEYSKGW-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1Cl 1084527251 MHIYMJOYKGKFCU-LGUFXXKBSA-N 528.052 5.912 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)CSc4nc5ccccc5s4)c3C)sc3c2CCCC3)cc1 1084622006 PHHFCLNNVOGIIC-UHFFFAOYSA-N 613.834 7.447 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1084648646 ZLDIOZUYKFZQIH-HZPDHXFCSA-N 596.298 6.135 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 1614653314 XPDCMOUSFRGXTL-ZUKRGTNUSA-N 537.729 6.950 50 10 KKGE COc1ccc2cc(Br)ccc2c1CC(=O)ON=C1C[C@H]2CC[C@@]1(C)[C@@]2(C)CBr 1772721814 ALGBBXVHLFHHOW-IEKZBVHVSA-N 523.265 6.274 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c(Br)c1 1772744193 RWOJQZVBFMSYOG-UHFFFAOYSA-N 525.359 5.290 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747833 RZKLSCPLUTYMLW-UHFFFAOYSA-N 513.597 7.131 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434925 OYSKUZDIHNKWLV-CWBAWDJCSA-N 663.406 6.422 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865691438 SAHRQIKYVFUFMC-JOCHJYFZSA-N 578.294 6.325 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706011 LRHOLWJEZHVWGN-QFIPXVFZSA-N 552.805 6.685 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865708942 JWEGJPLUQRNCNJ-HHHXNRCGSA-N 550.059 5.088 50 10 KKGE CC(C)CSc1ccc(C(=O)N/N=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 1865760536 CBASQFCAGSNRSY-OCSSWDANSA-N 506.071 6.886 50 10 KKGE CC[C@@H](CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867130738 WCLVKJRMSWYGCQ-HNNXBMFYSA-N 504.450 5.448 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745053 AMDHTPDVLSDZMC-RFBIWTDZSA-N 509.631 6.567 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Br)c(OC)c1OC 1872748460 YEFRYOSHJRGYMV-JXAWBTAJSA-N 507.793 6.202 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)c(C)c1 1872749057 ZKVRMVZACMBFOY-UZYVYHOESA-N 503.849 7.495 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(OC)c1OC 1872759370 MEENHWJTYYLUOD-UZYVYHOESA-N 519.579 5.180 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872792395 WJOBOESKOISYNJ-RQZCQDPDSA-N 517.420 6.972 50 10 KKGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 1873794570 PDHVXTNIZDRIBH-NIKULWCKSA-N 509.610 5.570 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccccc2OCc2ccccc2)s1 1900924223 INHLRDHVEUAZJW-QGZVFWFLSA-N 519.629 7.069 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2ccccc2I)s1 1922930901 XAIIZRMNTJXOHD-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1csc(Br)c1 1923070997 GGNQORQBKISWHZ-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE CCc1occ(C)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924568251 DKJXLVQRYJOIKH-SECBINFHSA-N 521.894 6.984 50 10 KKGE CC1(C)CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924571451 RTONOVAZMDKFDI-XPUUQOCRSA-N 509.927 7.298 50 10 KKGE CCC(CC)([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924607883 AIDOKFVVIYDKMF-ZETCQYMHSA-N 507.435 7.684 50 10 KKGE Clc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613991 VMGBSPZQBICAPH-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE CC(C)(F)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780852 YBRGNPWRBVCUOK-ZETCQYMHSA-N 516.268 7.155 50 10 KKGE O[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2025782864 KVOQLIQPIASTTJ-RDSNPXOSSA-N 556.712 5.944 50 10 KKGE N#CC(=C1N[C@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 2040498633 ASDUWEGXRQTMRO-FPOVZHCZSA-N 536.398 6.143 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1scc(Br)c1Br 2054158316 MGOLTIFNBOPAKP-MRVPVSSYSA-N 509.045 5.387 50 10 KKGE Fc1ccc(C(F)(F)F)c(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079243409 UVGIVNPJZAOZLD-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)cc1Br 2087571068 YWJDHDPUZOUHGT-AWEZNQCLSA-N 514.426 6.647 50 10 KKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br)C(C)(C)C 2123271897 VAKKCWZRFZIENV-OAHLLOKOSA-N 503.300 5.970 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)sc2C)c1Br 2136373818 GGIIHEIEGTZMFM-AWEZNQCLSA-N 531.933 7.445 50 10 KKGE COC1CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471919 XSVJCTQSAYYVFX-QIMWKCOFSA-N 540.315 6.832 50 10 KKGE Clc1cc(Br)c(OCc2cc(Br)ccc2Cl)c(CBr)c1 2166829786 DTOLXVKXULRCFJ-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Cc1cc(C)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397096 DYMBNZOAADNTPS-CYBMUJFWSA-N 590.773 7.838 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2206567297 KMAUYEHERVDFMJ-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc(C)c1Br 2227421399 LEQUAQMWCAMMGP-JTQLQIEISA-N 507.900 7.634 50 10 KKGE Cc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1I 2232832445 BMMJZJXFXQTVGL-OAHLLOKOSA-N 522.043 7.061 50 10 KKGE Brc1cc2sc([C@H](Br)c3cccc(I)c3)cc2s1 2263618146 MZSPOYRQCIMYHP-CYBMUJFWSA-N 514.045 6.814 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 2288356270 PZKJGHXNGKVSIH-LBPRGKRZSA-N 554.248 7.343 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)c1 2296063147 SUDISMGQSIHJDU-RUZDIDTESA-N 502.039 6.330 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296632490 XMJWKGKIPVBLOR-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458608 KEBDJMOKMMCQAI-HSZRJFAPSA-N 536.426 5.962 50 10 KKGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 2297549600 FBXQLVCMUOTAAX-UHFFFAOYSA-N 542.727 7.309 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1I 2303547125 OLCONCJSOMKSIY-HNNXBMFYSA-N 567.059 5.154 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1Cl 2313545803 GTRDPCYWSKDVNB-UHFFFAOYSA-N 627.910 6.178 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313570712 DRBYALRDFLQIPO-UHFFFAOYSA-N 532.254 8.153 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1 2313667940 ZEDCWKWSQODVEW-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C1 2314479381 SINQUFVCTNVCEK-XMMPIXPASA-N 565.699 5.183 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593936 WCBSVFJFVABLPB-PZGXJGMVSA-N 523.702 6.676 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314616768 JIUZGZWLXGPQAV-UHFFFAOYSA-N 593.083 6.783 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C(C)=C(C#N)C2=O)cc1 2314616974 OFUCDKMAGSKUEB-UHFFFAOYSA-N 550.618 6.494 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618656 RCCFEECAYUWVRT-NRFANRHFSA-N 527.020 6.671 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(Cl)cc4)c3)C(C)=C(C#N)C2=O)cc1 2314619936 HILSXMYVTLUKLD-UHFFFAOYSA-N 655.154 7.615 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646915 ULUIBUYKPDGBFV-MHZLTWQESA-N 636.705 5.384 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(I)c1 2317397127 ZCYCURLVFGCPPL-JTQLQIEISA-N 568.869 6.810 50 10 KKGE COCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 2319408849 ODQQRTBCGCTCNS-MRVPVSSYSA-N 539.934 6.728 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2331030623 QPASOWFAYOSIHT-PMERELPUSA-N 524.045 7.034 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331251447 SRBSNLLQWBHWDK-QGZVFWFLSA-N 512.462 7.087 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c2ccccc2)cc1 2331260645 VCPBSPXLFVGZOA-UHFFFAOYSA-N 515.432 7.615 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 2331279446 ZSWPIQPPGWSHOE-CYBMUJFWSA-N 508.397 5.917 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362296 UILLJXMVIBFGHX-INIZCTEOSA-N 510.015 5.943 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331416791 LYGYWBQCKNMKTF-UHFFFAOYSA-N 505.437 7.587 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1Cl 2331472345 KXLJBUXPAUNNGJ-UHFFFAOYSA-N 502.979 6.764 50 10 KKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2343017524 PTCPBMYJQXQNEX-ZTBPNRJZSA-N 503.428 6.423 50 10 KKGE CC(C)(C)N1C[C@H](Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2349850813 GZHQNISUCIZLQL-AAEUAGOBSA-N 501.044 5.090 50 10 KKGE Cc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1I 2360438265 VIBXCTRSONKQOZ-GFCCVEGCSA-N 552.834 7.292 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2sc(C)cc2Br)c1Br 2365219596 RHFJFVRBXWTIDL-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 1790650 LOOQDFPMLDPKQA-GPSDDGMOSA-N 508.430 6.367 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCC)c(OC)c1 1974878 KGLAEZVFHWMWIO-KGENOOAVSA-N 504.608 6.107 50 10 KKGE COc1cc(-c2nnc(SCC(=O)N/N=C/c3cccc4ccccc34)n2-c2ccccc2)cc(OC)c1OC 2705015 RUNVLKYMGBFIHL-FDAWAROLSA-N 553.644 5.356 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)c1nc(CSc2nc3ccccc3s2)cs1 33498281 ZMEGBNIPGHKNAM-WJDWOHSUSA-N 506.081 7.257 50 10 KKGE Cc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc(Br)s3)sc2c1 39714464 AIMBUURHPPXDPE-AWQFTUOYSA-N 507.416 6.079 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822599 VVBDMKRFUYKONH-AWSUPERCSA-N 507.546 5.706 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59335569 MHJPBZLLWJPVGU-GRSHGNNSSA-N 515.824 7.479 50 10 KKGE Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 59502659 UDKWIYKQZAEHLT-RDRPBHBLSA-N 509.591 5.516 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)c1nc2ccccc2s1 97542409 LZTOVDCDQNCQSH-HKWRFOASSA-N 500.535 6.839 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1OC 97914964 FUPCTACWPVLLSY-NDEPHWFRSA-N 531.093 5.640 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)cc1CSc1nc2ccccc2o1 100185841 FQBWGTHVSVKBJL-DLCNMLRHSA-N 615.111 6.872 50 10 KKGE CCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1OC 100225088 UKSKIRJZYXBFKS-NTFVMDSBSA-N 566.481 5.347 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 100420884 XBUCPEWTASHLPJ-HNNXBMFYSA-N 526.269 5.048 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)c2)cc1 101012530 JQQMKENKYPNDGF-USHMODERSA-N 542.643 5.737 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339206 LKFMVMDSVWIPGY-MWAVMZGNSA-N 602.691 6.180 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(Br)cc1 101363920 BLFUHXAHCATBTE-MUUNZHRXSA-N 537.413 6.405 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1 101369432 FEHLWPJAWNCPCT-HKBQPEDESA-N 532.596 7.095 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 101374509 HCBAFPKFSMGVNL-HKBQPEDESA-N 542.632 6.165 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379763 MWFVRVZILQQSNY-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384864 BFECRGAXWKDKTE-UUWRZZSWSA-N 607.493 8.092 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101387225 PEPFWUZHGNIADK-FZYZMVIOSA-N 584.575 6.143 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101387293 GCAICLLTBYBNDB-HKBQPEDESA-N 566.585 6.249 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387376 SJJDJGDSVAZCQI-JGCGQSQUSA-N 566.585 5.788 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387818 WZTNTFRZGBVVKE-UUWRZZSWSA-N 590.676 7.197 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101388897 VPWHHHRNONBOMB-PWXLVQELSA-N 597.042 7.294 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc(OC)c1OC 101393435 REIIWNMTWXTMLV-QHCPKHFHSA-N 549.004 6.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc(OC)c1OC 101393450 DSMAXRRSRMQWFN-JOCHJYFZSA-N 617.894 7.325 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)cc1 101604300 AXXHFVSBNGEQJO-GZZLJNBRSA-N 544.007 6.765 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 101727632 XTRPWMXOQSZDOF-WCMJOSRZSA-N 550.149 7.582 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 105115568 XSVQVZLZUCYKPS-XDHOZWIPSA-N 522.355 5.881 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2cc(I)ccc2Br)c1 236060924 WRNYHVXAQRGCLJ-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 245380571 YWOCDRCHNHTNKI-GQYIMDIZSA-N 567.836 10.237 50 10 KKGE biogenic O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254652596 CEANECYHZNFOMP-DJWFSMAQSA-N 542.595 5.340 50 10 KKGE CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)Nc1ccccc1S2 254760378 ZGZCNSGBYFRJQS-UHFFFAOYSA-N 520.661 5.911 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1cccc(OCc2ccccc2)c1 254835595 GSJXMPYUIYPXAQ-UHFFFAOYSA-N 506.631 5.906 50 10 KKGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 254838956 QIWPAJONFFPIKC-UHFFFAOYSA-N 550.600 5.877 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 256028459 NLICNIOQQUVELJ-UHFFFAOYSA-N 573.925 6.442 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 311875296 SXVDOGUJWQUACF-ZETCQYMHSA-N 519.427 7.444 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(F)ccc2Br)C1 382698601 ZLFKWALMTDKAFC-WMLDXEAASA-N 518.164 5.375 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590349 QXQZQDMMTWVWDX-GKFPOLJCSA-N 654.920 8.706 50 10 KKGE C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 642771795 CWKKIZCMKSXJOQ-XIXLWGKVSA-N 569.830 9.212 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1)S(=O)(=O)c1ccccc1 725401031 XFOONGOITIYAPD-UHFFFAOYSA-N 624.162 7.387 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3)o2)ccc1Br 1083866609 FCBJSXQRFXJVLP-WJDWOHSUSA-N 500.190 6.634 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1 1083940665 NXCWWJCJOWHAFD-FYJGNVAPSA-N 538.385 6.123 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1083999072 ZOGIZUJHIIMAIU-WQRHYEAKSA-N 501.797 7.170 50 10 KKGE COc1cc(C=NNC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 1084240366 SFKHGORXMMELGQ-UHFFFAOYSA-N 512.360 5.199 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4ccc(C)cc4C)c3C)sc3c2CCCC3)cc1 1084468317 TYESTJDEUUGDEU-NLRVBDNBSA-N 562.739 7.758 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 1084472821 MQTGPOZGFNKJJR-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744659 GXDXMZKDRWRGQS-UHFFFAOYSA-N 509.581 6.040 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)ccc1Cl 1772746901 BIBBORRMKSCVPR-UHFFFAOYSA-N 516.337 5.801 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772749114 HLWQUVQEENHULB-UHFFFAOYSA-N 500.382 5.691 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749827 PUVOBSRPBZJODF-UHFFFAOYSA-N 521.617 5.666 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C)cc1 1772755118 OBFVYBHZGZYIJL-UHFFFAOYSA-N 631.017 7.755 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 1772755264 XZFUISIDDFPULO-UHFFFAOYSA-N 602.963 7.056 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682791 XQRXFVPBCXLGJB-LJAQVGFWSA-N 526.640 7.217 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688599 WBOFOGVTFOEGLH-HXUWFJFHSA-N 529.822 5.563 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865688781 ANEYLEVXFLBTLE-NDEPHWFRSA-N 527.024 6.338 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688897 DNSGERORJIFJFZ-MRXNPFEDSA-N 555.738 5.298 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865689021 HUZUKCMLXUPSTE-LJQANCHMSA-N 504.896 5.560 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690553 UVSDNIWNEQXMDY-QFIPXVFZSA-N 567.365 6.451 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698896 FVKZTGBQXGDPRO-RUZDIDTESA-N 507.981 5.911 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700876 GTWANWLEZDFOSD-DEOSSOPVSA-N 528.996 5.496 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865702825 GASBECQWXBWBQQ-MHZLTWQESA-N 547.442 6.683 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703220 QGRMSSWFPUCFEY-GDLZYMKVSA-N 504.634 6.298 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865703351 UNMWGFWIVQPJQK-SANMLTNESA-N 510.569 5.753 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2cccc(Br)c2)c2nccs2)c2ccccc2)cc1 1867041142 WXZAFXGQILIXSI-NOZRDPDXSA-N 577.529 6.497 50 10 KKGE CC[C@@H](CC(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867138370 QOCRGMMSQIWQPT-HRAATJIYSA-N 550.544 5.791 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C1 1868207024 CVUULDJXHZUEJG-NRFANRHFSA-N 507.663 7.113 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@H](c4ccccc4)Cc4ccccc43)nc(-c3ccccc3Cl)n2)cc1 1868414782 QBFVIMYLSLGLGY-XMMPIXPASA-N 546.099 8.592 50 10 KKGE Brc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 1899850365 WHHJBDXHXRECGU-GOSISDBHSA-N 517.080 7.336 50 10 KKGE CN(Cc1cccc(Br)c1Br)C[C@H](Br)COCc1ccccc1 1916334361 FUJWJPXAHUWUEO-INIZCTEOSA-N 506.076 5.624 50 10 KKGE CC(F)(F)CC[C@H](Br)c1c(Br)sc(Br)c1Br 1924614715 ZYOCGWIZPMLDGL-BYPYZUCNSA-N 505.842 6.907 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 2083318503 QBNFWBHZMCJOMY-NSHDSACASA-N 538.324 7.435 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCOC1 2085496228 QIERURKQYOFTFQ-INWYIAFRSA-N 526.288 6.443 50 10 KKGE C[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496614 XFJJNNBMLNLALE-BUYFANAVSA-N 568.767 7.609 50 10 KKGE Cc1scc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2141469470 VMIPYSULCSFOOQ-ZDUSSCGKSA-N 552.351 7.743 50 10 KKGE CC[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141473647 RQVFBXOURCLQEU-CIQYLNAISA-N 540.315 6.974 50 10 KKGE Cl[C@@H](c1ccccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2141478737 ZLQNCZQPULXTLE-ZDUSSCGKSA-N 597.164 7.827 50 10 KKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170615713 SGAIWPLDWBJRNQ-OCCSQVGLSA-N 515.027 5.222 50 10 KKGE C[C@H]1C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206396567 YLMKNTYUOLKTOK-RFSKQPJPSA-N 554.342 7.220 50 10 KKGE FC1(F)C[C@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2212199449 CMTBYISUEQWIAX-DMTCNVIQSA-N 503.826 6.312 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 2217420568 GHLLYQSSQCOVLP-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)sn2)c(C)c1Br 2220145374 JCFWAVQSNSSJMP-GFCCVEGCSA-N 565.894 6.374 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sccc1I 2260000377 YXPZLOSXAXKKDX-SECBINFHSA-N 572.832 6.640 50 10 KKGE CC1CC(CC[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2274618420 BFEUAYNUNHWLQO-AYVLWNQUSA-N 538.343 7.843 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(Br)cc2Br)c1 2277889001 MRAZMJVUIXOYGD-ZDUSSCGKSA-N 576.746 7.415 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3scc(Br)c3Cl)c(Br)cc2N1 2279286300 CXGHDJKRFRZNLF-LLVKDONJSA-N 500.437 5.905 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296507241 ZIKFWPOTFPUJON-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 2297304510 ONKDMMIOMFHQCX-UHFFFAOYSA-N 548.466 5.613 50 10 KKGE O=C(NC(=CI)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297549126 HGGPFZVPKKDBNC-UHFFFAOYSA-O 534.357 5.644 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301796765 PCWGBVVWFOVLGK-GOSISDBHSA-N 520.636 6.007 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OCC 2313519011 OPDQBQWEGDADHE-UHFFFAOYSA-N 508.743 5.454 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 2313521362 IZEJAWXJNBHROW-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571286 RKRRPBUZXYDPDV-UHFFFAOYSA-N 800.987 7.932 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571337 SWZLINIYGKVHPT-UHFFFAOYSA-N 504.551 5.418 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)c(=O)n(-c2ccccc2)n1C 2314478480 NORASEBPJXURSX-UHFFFAOYSA-N 641.131 7.115 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592232 OMRRPAPAISIMOI-AREMUKBSSA-N 560.517 6.946 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314611511 WCHFMXZFMIKRAI-UHFFFAOYSA-N 577.084 7.164 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618213 JLBRGCKUBNFURO-DEOSSOPVSA-N 558.707 7.395 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618217 JNHCYPFIXVLWPE-RUZDIDTESA-N 556.666 7.072 50 10 KKGE CCN(C[C@@](C)(CI)OCCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2364693175 KNJJDDPQLDBXDM-HXUWFJFHSA-N 556.279 5.468 50 10 KKGE C=CCN1C(c2cccc(C(F)(F)F)c2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 17576633 CLTXHTDXULYSJJ-YYDJUVGSSA-N 536.583 5.548 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@@H](C)C2 33693365 LASHIZPSJTZSFC-WIZMWCRPSA-N 505.552 5.763 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 38608373 IZOWHDSZJPWRCZ-STBIYBPSSA-N 526.640 6.565 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38650690 NTNQFSKQNNAVPK-LJAQVGFWSA-N 512.606 5.975 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)oc2c1C 38688341 QXFMSCKSFTZYDH-XMMPIXPASA-N 519.384 7.102 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 58890198 MWKAQPSHABECRX-GXZQEHIMSA-N 511.416 5.309 50 10 KKGE O=C(CSc1ccccn1)Nc1ccc(SSc2ccc(NC(=O)CSc3ccccn3)cc2)cc1 59089565 MFKYEELVRMXAKO-UHFFFAOYSA-N 550.756 6.738 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100145627 ZGFBPVPPLRIEML-PLQXJYEYSA-N 612.727 5.253 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 100235338 RSRFYQMWXPACMZ-LUHMOWLYSA-N 614.751 7.351 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 101022798 VIRUFCJMHHDFHR-KWAQJPELSA-N 547.709 6.894 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101367113 CYYZRPGUCMIKEB-RUZDIDTESA-N 527.360 5.213 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367246 ZIZOPMXWFJZZGH-PMERELPUSA-N 534.568 5.720 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)ccc1Cl 101376148 PUFRJKAEIFCQTK-LJAQVGFWSA-N 533.024 6.276 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379518 RKEQDGMTMIOYOE-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379867 JCBZUCVGJNLKFR-YTTGMZPUSA-N 581.068 7.391 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385049 FFSNDKPWYINVGK-SSEXGKCCSA-N 591.878 7.592 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386113 RNZOWTZJNDLWSR-KQFACYEESA-N 599.470 7.418 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389548 YTIHCHYVNSEIFN-UMSFTDKQSA-N 608.666 7.276 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101390658 PBWHULOZACJTFN-VWLOTQADSA-N 545.389 6.340 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)oc2c1 101390960 VECIQHNYRHARDA-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1Cl 101392629 DVKPKCYHAZMULH-VWLOTQADSA-N 569.441 6.627 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101392822 KWNHLDSYVQZJIA-HSZRJFAPSA-N 527.360 5.457 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101393170 NUHRRVJULFKQEM-URLMMPGGSA-N 542.588 5.228 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101606855 ZDORZNQLGKIUMY-WGPBWIAQSA-N 538.560 5.940 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 101727017 QKXHXCLRIPLEBX-XODNFHPESA-N 572.937 7.047 50 10 KKGE CCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 101727513 CUXVRCYKYGGVJU-CCVNUDIWSA-N 597.000 7.436 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1OC 101766644 MDDGCDCTTPEULW-ZMOGYAJESA-N 528.241 5.237 50 10 KKGE CN1C(=O)C(C#N)=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 102392673 SGWQNGDDJDXSCM-NJZRLIGZSA-N 562.629 6.478 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C(C)=O)c1C 103633371 CBXQUIUYOVFPPK-PXLXIMEGSA-N 513.644 7.203 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC 103879840 HMSXFMQYSJXGDY-UXHLAJHPSA-N 532.438 6.386 50 10 KKGE COc1ccc(COc2ccc(/C=N/NC(=O)CSc3nnc(CNc4ccccc4)n3-c3ccccc3)o2)cc1 103929136 ARIHWDIDNWQFJK-KCSSXMTESA-N 568.659 5.302 50 10 KKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1cccc(Br)c1 105059998 PKNIWYJWCZFERO-LGJNPRDNSA-N 536.651 6.137 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 150431082 YNZWKHFZQXDICN-XGUCDPIRSA-N 638.502 6.395 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 164740005 JXJKGYLPHQUULX-JOCHJYFZSA-N 650.590 6.119 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@@H]1CCCCO1 212754279 GGIODFRWUKSMTA-XMZFOLMGSA-N 614.940 8.778 50 10 KKGE N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492214 YOHNQEXKCPBSBA-FVDSYPCUSA-N 514.629 6.232 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 228454202 AAHGOBXHGMBCGZ-ZDUSSCGKSA-N 532.295 7.420 50 10 KKGE CCCOc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 233251719 BHYNVTYARGJJMR-CYBMUJFWSA-N 503.481 7.153 50 10 KKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(I)ccc1Br 236019829 RWOWDTOUIWUGOU-AWEZNQCLSA-N 500.399 6.339 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 245267371 LJZYUHILMGEOPH-ZYSQZVAFSA-N 615.863 5.756 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC 252598781 DDXXRYOGPLVAAR-UHFFFAOYSA-N 544.073 5.182 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c(OC(=O)c4cccc(C)c4)ccc4ccccc34)cc2)cc1 254509103 MEMWACLOQJWXMT-UHFFFAOYSA-N 577.662 6.241 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1OC 254590140 LPHLTRAUNRLVAI-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE CC(=NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1)c1cccc([N+](=O)[O-])c1 254837320 VCYXCJFIVIFQPZ-UHFFFAOYSA-N 550.522 6.230 50 10 KKGE CCCN(CCC)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 263627404 IMEBBLIZOLTJOW-VMXPPTEZSA-N 511.670 5.300 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(Br)c2)C1 382699825 XISZSXNPWNADPO-WMZOPIPTSA-N 500.174 5.236 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@H](Cl)C23CCCC3)c(I)c1 388231839 GPPJIWXWOCTFFO-NWDGAFQWSA-N 522.979 5.868 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Nc4ccccc4)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 575418336 JDTKCDCRSRWMSD-JVYBIVSJSA-N 701.150 8.852 50 10 KKGE in-vitro Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084137277 GADLBYMANWIPBW-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084182444 SKLGUKPMAWDREY-UHFFFAOYSA-N 681.193 6.181 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1Br 1084312840 DMFYBMKARUSAMC-UHFFFAOYSA-N 635.965 7.624 50 10 KKGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1c2ccccc2cc2ccccc12)c1ccccc1 1084324848 GEBQYQZVYFBRQI-UHFFFAOYSA-N 602.510 6.110 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccc(N2CCCC2=O)cc1 1084426355 LBGISTHDLLWLGV-UHFFFAOYSA-N 566.750 6.543 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1 1084435406 JHRWMTGBJQYFFQ-UDWIEESQSA-N 572.830 6.776 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 1084447083 WNCYHNMHGMMEQU-DEOSSOPVSA-N 535.855 6.588 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1cccc2ccccc12 1084609341 QLMMIRYZWSVLSR-HMAPJEAMSA-N 566.439 6.388 50 10 KKGE COc1ccccc1N/C(SCc1ccc(C#N)cc1)=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 1088727036 HFGSNFBTBRRVEH-DAFNUICNSA-N 508.525 6.305 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536925 AFNDTSIACJAGSO-ASKVXKKHSA-N 551.768 9.808 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742954 YZGUGUANYDKRPV-PPBORXCNSA-N 576.516 6.151 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)C(=O)Nc3ccc(SC#N)cc3)c2C(=O)OCC)cc1 1860746028 KDBJETUDUGIIPE-UHFFFAOYSA-N 509.609 5.531 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686386 USFMZKKCFDJWOI-RUZDIDTESA-N 539.422 7.226 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865692543 HABQPBARRHHIGT-LJQANCHMSA-N 518.923 5.619 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865694000 NXHRUQROPCAQQM-SSEXGKCCSA-N 534.660 6.307 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865695734 SAVJUAJVUGODIS-MUUNZHRXSA-N 514.585 6.318 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865695920 ARJKRMNSSPBHOG-DEOSSOPVSA-N 575.438 6.125 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865696437 MQOGVDNWBIXWBL-VWLOTQADSA-N 507.034 6.274 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1O 1865697260 YTDUWGOFSHGDNI-JOCHJYFZSA-N 547.384 5.432 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702477 AXFSFDFBLATSLB-SANMLTNESA-N 531.443 6.598 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705229 PAAHGPCGHKJHLA-NDEPHWFRSA-N 555.078 6.652 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706290 SJMZRHWQDTUHRM-RUZDIDTESA-N 541.995 6.004 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707346 UYXMYVUMNWBOIH-JOCHJYFZSA-N 535.387 5.787 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712262 UKAOSNFLITVNBZ-HSZRJFAPSA-N 502.496 5.997 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712303 VDJCASTVZFTPRL-YTTGMZPUSA-N 568.677 7.021 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c(OCC)c1 1872755452 ODMUXARUWRYCRB-CEUZYJICSA-N 517.651 6.324 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c5ccccc45)cs3)cc2C1=O 1872758686 LNQQPKZITDSLHJ-UYNDQYDWSA-N 509.587 6.316 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)N/N=C/c2cnc3ccccc3n2)cc1 1873497110 JKNCQVASVZAXPB-SRLBMSEASA-N 523.637 6.047 50 10 KKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(C)c1Cl 1873940627 ABJCRHXYGMNUGC-RFBIWTDZSA-N 501.051 8.399 50 10 KKGE Clc1ccc(I)c(CN(Cc2ccccc2)C2(CBr)CCC2)c1 1915755037 HYGFNJPLBKJTLE-UHFFFAOYSA-N 504.637 6.264 50 10 KKGE Cl[C@@H](c1cscc1Br)c1c(Br)sc(Br)c1Br 1924605688 VOXXKBGPGZRNCE-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Fc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924613568 JWWTVAVLOOUYBI-ZETCQYMHSA-N 543.822 6.937 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)c(Br)s1 1951015991 HNJSBDWAIGUKGH-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2043568396 BZPXRHXESHUGKS-MYCDHDFLSA-N 535.843 7.060 50 10 KKGE CCC(CC)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497275 ZXTKLLPJIDGDNC-SNVBAGLBSA-N 526.332 7.843 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1sccc1I 2085641767 GZQZAQXNISOHGX-LLVKDONJSA-N 502.009 5.917 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)ccc1I 2097834004 HSWTVKXTBCWGDH-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2100838615 MJWMFMUUVNWCRI-WPRPVWTQSA-N 537.981 8.078 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(I)cc2)c1Br 2136372061 RMNMDBAEJVOCPN-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(Br)c1Br 2148752491 OJEKHVQQLMRARL-CQSZACIVSA-N 527.876 6.775 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)c(OC)cc2Cl)c(Br)s1 2202348580 ZNOQBCWSDDYYCV-NSHDSACASA-N 504.469 6.377 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cccc(F)c2I)cc1Br 2202902517 RMMOPWXEEGXNEA-ZDUSSCGKSA-N 517.933 5.825 50 10 KKGE FC1(F)CCC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206396276 VAENAXQXZNVFDU-LBPRGKRZSA-N 560.296 7.842 50 10 KKGE Cc1cccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398611 WXGHBSGABLBQMG-SNVBAGLBSA-N 590.773 7.724 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207261879 ODQUNKDJVBCQAZ-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)cc1Cl 2207270893 FDGSJUNEULIKQD-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE Brc1sc(C[C@H](Br)c2ccccc2)c(Br)c1Br 2216419952 LNXFXBQJENTVAB-QMMMGPOBSA-N 503.879 6.714 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)s1 2233025126 YQGQMILHTKHHPO-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cscc2Br)c1 2252838178 AJTOLPQUYKDJIN-LLVKDONJSA-N 503.879 6.714 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2270428745 FAGHFKMZNGXMFF-VIFPVBQESA-N 511.863 7.465 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 2293198463 VDQRILDYMGBLQD-QHCPKHFHSA-N 541.982 6.101 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2293579781 JMFDLVXMNQSTJC-UHFFFAOYSA-N 640.096 6.235 50 10 KKGE COc1cc(OC)c([C@H](Br)c2ccc(I)cc2)cc1Br 2295438959 XEVNNRLQCOIFNT-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296789909 AUJHMJDFNSLZOC-GOSISDBHSA-N 535.691 6.905 50 10 KKGE CCOc1ccccc1NC(=O)C(C#N)=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 2297488342 FASOSCYVFHGAAS-UHFFFAOYSA-N 502.577 6.300 50 10 KKGE N#CC(=CC=C(Cl)c1ccc(Br)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2297624298 GZTFZYQYYFWGFE-UHFFFAOYSA-N 540.782 6.774 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1sc(Br)cc1Br 2301118857 IDBCLYAAPPLYKW-LURJTMIESA-N 528.289 5.860 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 2313630892 HHJFOZFNVKNLSH-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1cc(Br)ccc1OCc1ccccc1 2314455801 RQQQCRLLVYBZQP-LJQANCHMSA-N 527.627 7.155 50 10 KKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314482401 KGCYGKCKOYYGCF-UHFFFAOYSA-N 569.690 6.791 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571234 CGAZFFDXJQVUGU-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593360 LTEQLMKNBAVNSY-QHCPKHFHSA-N 507.999 5.074 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616595 FHISGNLWGBCXIM-UHFFFAOYSA-N 526.564 5.257 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314618763 TYIYUJJEHIQKFL-UHFFFAOYSA-N 529.644 5.528 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 2314618991 XVYCZQKAUUBSNZ-UHFFFAOYSA-N 518.573 5.714 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)cc1 2314646835 QHUVWDSGQLHRDN-VWLOTQADSA-N 699.583 5.236 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cscc2Br)c1Br 2315437527 XMOWOWPUXNOKOV-VIFPVBQESA-N 542.287 7.312 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2317773801 NHPZLNHMGFSFHC-CYBMUJFWSA-N 520.455 6.815 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331343035 ONKOSAWYJYGISE-UHFFFAOYSA-N 502.552 5.711 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38684008 GOJFZIQGHBHPBI-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCC(C)C 38684247 ZSGPHUVSCMKYGK-AREMUKBSSA-N 504.970 5.821 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813603 SPBARGARLWCJHU-STKMKYKTSA-N 505.496 6.483 50 10 KKGE N#C/C(=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 96438668 VJUACCQLITXEQJ-DHDCSXOGSA-N 505.279 6.777 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914988 CDTWPEMQGWQFDK-MHZLTWQESA-N 535.512 6.285 50 10 KKGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100251976 UHRJTKNIULCNLO-CQSZACIVSA-N 609.340 5.257 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 101013286 JFABZVNVIBGEMV-USHMODERSA-N 593.130 5.706 50 10 KKGE CCCCc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 101206946 FJMZYQSQDXCOOJ-GDLZYMKVSA-N 535.673 6.190 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246676 WRKBCLVPAFMHQA-GOHCDNDPSA-N 564.461 5.531 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101333316 LTFPGUAEARBKGF-AJBULDERSA-N 574.656 7.040 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)C1=O 101333331 DAEBXXKVBLAROS-KOEQRZSOSA-N 543.067 6.764 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 101335581 SKXNBSFLKPHTAG-XHLNEMQHSA-N 552.675 6.127 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(Br)cc1 101363674 FOHCXSFQLFMQMY-OAQYLSRUSA-N 526.184 5.649 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Br)cc1 101363696 JRZAVZVUAVYDGU-QHCPKHFHSA-N 556.210 5.414 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 101372325 XJUIZMJCDKMPQY-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101373851 ZOJFQKGJIWXFGO-GDLZYMKVSA-N 593.474 6.229 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 101375001 XQIRYJSGNMKHKZ-CKGOYRMPSA-N 554.643 6.356 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 101375314 JXNXASYAOUPVIE-YTTGMZPUSA-N 556.659 6.555 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 101378014 OJARVZJRYGJQDU-YTTGMZPUSA-N 540.660 6.855 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378638 SHOWZCVSAXHGDR-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380845 MPDFURAEUWPYGL-XIFFEERXSA-N 578.640 7.411 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381613 IWXLAELNCRWZAC-IDVKVFGRSA-N 530.580 6.111 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386092 CARPRXNVQFJABN-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388065 LMHIMWKVHXNEST-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1F 101389096 GRYBAVDWUXCMCI-UMSFTDKQSA-N 594.639 6.623 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389350 CKJGQJQGAVYNKK-YTTGMZPUSA-N 584.575 6.145 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389502 GUHKGDCYECFKBN-DHUJRADRSA-N 622.693 7.810 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCC(C)C 101395606 NNEXLQXZFYXPTN-LJAQVGFWSA-N 538.600 6.530 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 101405797 MEJWKUWMXLGSQG-SYQPQHDQSA-N 625.106 5.118 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc(C)c1Cl 101610364 CYSLMVQCRSWGED-YQCHCMBFSA-N 541.047 7.066 50 10 KKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 102934521 HNVUFYREBNSLML-WZUFQYTHSA-N 529.572 5.718 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 103734045 LWYJBPMGHLUXSZ-LGMDPLHJSA-N 528.552 7.017 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(Br)cc1 104994378 OJEPNVBGOAWSBR-QOMWVZHYSA-N 531.179 5.032 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 105914122 NGTADVUCBQTBCH-PGZTYAEFSA-N 536.557 7.607 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(Br)c2)/C(=C/c2cccc(Br)c2)C1 108274590 KCXUAJINCYCVHB-CJRTWVEFSA-N 513.233 5.302 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432909 YMSFIDWFEHSGHP-QNGWXLTQSA-N 677.584 8.927 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)cc1 150455207 QHUVWDSGQLHRDN-SDEVNZIBSA-N 699.583 5.236 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 150497640 JMKFDRYNCMJQKR-TWKHWXDSSA-N 652.176 6.160 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OCc1cccc2ccccc12 150598979 HEGLOEVRKWBVHM-JAIQZWGSSA-N 637.284 7.406 50 10 KKGE CCC1(CC)[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 155256173 SWLXSYUNWJJBLG-VXGBXAGGSA-N 660.897 6.221 50 10 KKGE CCOC(=O)c1nn(-c2cccc(Cl)c2)/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(=O)OCC)nn2-c2cccc(Cl)c2)s1 164500093 YDEODJYUDNOURN-ZHTVLWRQSA-N 781.794 9.105 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 164618782 VHIKMSZRBPSYBP-ODNPBWNPSA-N 734.388 7.861 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 205781747 SGNGQIWQHVJIPF-GYDLQOCGSA-N 714.775 6.183 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 206737518 MXBJCKAJMSAOMQ-CLCOLTQESA-N 520.585 5.813 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214322954 VZQIFXTUKIZWIO-AVQONUNLSA-N 564.686 6.270 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)cc1Br 235821855 RSPKIVWYZKUQMO-CQSZACIVSA-N 576.746 7.529 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc(Br)sc1Br 236039977 KXCNUHRTHRPJJX-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1I 236232165 HXGBSQUOEDQWGQ-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 252625379 QIVFEGOGRGFFPL-UHFFFAOYSA-N 626.053 5.425 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OC 254301726 YMICRJOJYPBNIG-UHFFFAOYSA-N 543.693 5.882 50 10 KKGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cccs3)c2)cc1 254659187 QISAIMOLGCKFOP-UHFFFAOYSA-N 557.657 5.174 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OCC)cc1 254825352 DSUIAIKRURDIQO-UHFFFAOYSA-N 614.699 5.245 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(I)cc2c1OCC2 312407511 WJIAIDBCFRCWLA-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 725424484 BKGRUODFASUIHB-XMMPIXPASA-N 637.312 5.995 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 1083920355 UVNKYXLJGXMDNM-UHFFFAOYSA-N 724.824 8.816 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)cc1C 1083962436 CHFLHQNLYMXYOE-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084115095 LZLVNOTWMVAYRX-UHFFFAOYSA-N 611.120 5.119 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084170603 DMIYLGUEKXOSON-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CCCSc1nc2ccccc2s1 1084171368 PYXLRAATHCVGRI-UHFFFAOYSA-N 614.885 8.285 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4cccc(C)c4)c3C)sc3c2CCCC3)cc1 1084611763 CNGIOJJILRSYRF-UHFFFAOYSA-N 539.705 7.059 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1 1084655502 OSJBCCLPBVMNFX-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1085897492 PRCMMETVWMEYKS-VNXDONTASA-N 649.070 6.282 50 10 KKGE O=C(CSc1cccc2ccccc12)NN=Cc1ccc(OCc2ccccc2F)c(Br)c1 1565518980 WJJWADIGFJNVHB-UHFFFAOYSA-N 523.427 6.563 50 10 KKGE O=C(Cc1ccc(Cl)cc1)N[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614360634 XWYIKUXEHCGAOJ-JSQHMZAPSA-N 534.897 5.187 50 10 KKGE O=C(OCC(CBr)(CBr)CBr)c1ccc(C(=O)OCC(CBr)(CBr)CBr)cc1 1615946849 DCZOIPMDMXXOJF-UHFFFAOYSA-N 779.778 6.342 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744466 XZCGIPVGNVTDLS-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772748480 AGSSSRYJGNAZJM-UHFFFAOYSA-N 558.462 6.562 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686415 VOGHKAILJAOGTH-SFHVURJKSA-N 504.215 6.112 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865687632 WKAHUDVVMPPRTI-GDLZYMKVSA-N 534.660 6.703 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695043 IFNNQRHCGMRGOV-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCCCc1ccccc1 1865697381 QWPOLCDINIAHEB-SSEXGKCCSA-N 520.633 5.787 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701625 ZZOKVNOJRDUUIH-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702086 MIRPYHOZLWEFFZ-HSZRJFAPSA-N 506.448 5.652 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1865703551 BBTDVRHDSAQECH-MHZLTWQESA-N 547.442 6.352 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715087 VNGYFDNWLUEKDQ-QHCPKHFHSA-N 564.385 5.746 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866783496 QUTYTMFRBOFARN-KYJUHHDHSA-N 569.727 6.978 50 10 KKGE CCCC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866849465 BLCWYXRWENINPL-NRFANRHFSA-N 526.460 5.444 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867060514 MPQCXOHFCUJFCJ-VWLOTQADSA-N 559.742 5.768 50 10 KKGE Cn1c(SCCC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867074422 BOGZVDQHDMFWNB-RUZDIDTESA-N 588.784 5.594 50 10 KKGE CCCC[C@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867087685 ORPJABCKAAKATC-QHCPKHFHSA-N 525.675 5.096 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3c3cccc(OC)c3)n2)c1 1868505282 FWKFSRXFVGCTOQ-MGBGTMOVSA-N 571.706 7.630 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCCN1CCOCC1 1872794871 AWTAMGALRTVDEP-CPNJWEJPSA-N 512.031 5.256 50 10 KKGE COc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1876919654 WPRLFKPZRHWYEG-SECBINFHSA-N 509.872 7.026 50 10 KKGE CC(C)Cc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923068153 NRGDSNUIBHOIRO-LBPRGKRZSA-N 501.509 7.609 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071999 MHZOOUZBWYTYON-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2Cc3ccccc32)c1Br 1924585496 MGZNBFGQHDCGMR-WCBMZHEXSA-N 515.890 6.812 50 10 KKGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1c(Br)sc(Br)c1Br 2065537150 YIRUJBJIQCYSGV-CLZZGJSISA-N 533.852 6.143 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 2082377917 VSQWFARQIHEHSQ-LLVKDONJSA-N 538.324 7.482 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2137659300 NHFIJJVSPPLARS-CQSZACIVSA-N 534.844 7.106 50 10 KKGE CC12CC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141468869 ONTNMYNKAZJTAC-PNESKVBLSA-N 582.750 6.742 50 10 KKGE Cc1scc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2141469259 UEOBTSXIZBCKFZ-NSHDSACASA-N 596.802 7.899 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2141474257 YPNGIHYAPLDGJJ-IICLESHCSA-N 578.762 7.075 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2203001467 LYRWFYYOLLSNOR-CYBMUJFWSA-N 548.294 7.120 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Cl)ccc1I 2203827867 BJVJWUINPWTJFR-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2206398892 ZZQCBRKPMXNMKA-AXTSPUMRSA-N 594.805 7.999 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2(CC3CCC3)CC2)c1Br 2206400014 OIKGQKAHGQAFAX-AWEZNQCLSA-N 594.805 8.143 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400054 OVVAEDSLFGKXSE-SNVBAGLBSA-N 659.605 8.123 50 10 KKGE C[C@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206406278 XOYFSCVDDDUSDB-KCJUWKMLSA-N 554.386 8.479 50 10 KKGE BrCc1cc(Br)c(OCc2nscc2Br)c(Br)c1 2219913034 LEMYJCSGNXEFRQ-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2226834759 KIRSREGHKULNLK-IHPSOHBWSA-N 540.315 6.974 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2226836028 UWYARRWIJOVBPZ-IHPSOHBWSA-N 584.766 7.130 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Br)c1C 2229321279 BFRRXZVRKLDDLV-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc([C@H]2CCOC2)s1 2240427926 XMKWKVZXNSYAKE-VFZGTOFNSA-N 528.047 6.103 50 10 KKGE C[C@H](C(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2247466599 BQXRYXJINGDYHQ-CLTAVNFZSA-N 564.682 7.074 50 10 KKGE COc1cc(OC)c([C@@H](Cl)c2scc(Br)c2Br)cc1Br 2295425108 CKZYLQPHUMHRHN-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE ClC[C@H](I)[C@@H](CCl)OCc1cc(Br)cc(Br)c1 2300179470 TWUVWKGVWIDXRL-WDEREUQCSA-N 516.826 5.378 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(Br)cc3)nc12 2314532866 NNIVBNZIAOQUAQ-UHFFFAOYSA-N 569.337 6.122 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 2314571704 KNUSWDJAYOXVNH-LJQANCHMSA-N 530.646 6.183 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592496 VNRUPPVQBRTHIX-HHHXNRCGSA-N 511.647 6.103 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314616554 DKOWUJMWXLWOGA-UHFFFAOYSA-N 572.665 6.519 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCc1ccccc1 2314646780 NQIFANSWXFUNDM-XIFFEERXSA-N 680.786 6.343 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C)cc1Br 2314720021 ALHBHXOKOAAQAU-UHFFFAOYSA-N 512.787 6.468 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 2331325121 MBOSRBLGDDCVBD-LJQANCHMSA-N 503.624 5.798 50 10 KKGE COC(=O)c1c(NC(=O)CCCOc2ccc(Br)cc2Cl)sc(C(C)=CC#N)c1C 2331560460 UDCKQQCNRSWNFU-UHFFFAOYSA-N 511.825 5.984 50 10 KKGE Clc1ccc(C[C@H](CBr)c2cccc(Br)c2)c(I)c1 2341046537 FRIJLOLQCFSEMU-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360425877 GWNJGBBGPQJXGE-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 3102782 SHSQFHPWBHSAOA-WYMPLXKRSA-N 547.159 5.103 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14768653 FFDGFFDYJUXKDH-NDEPHWFRSA-N 507.590 5.533 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491616 WGDVWWCTIMLQOQ-PLRJNAJWSA-N 558.642 5.672 50 10 KKGE N#C/C(=C/NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 33926015 NCCWKAOLIBAJFI-ZROIWOOFSA-N 503.251 5.959 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 35073741 DYIWGZIKHRHKCD-JLPGSUDCSA-N 512.606 5.509 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701078 BPEYUMXQXWAACS-MUUNZHRXSA-N 506.558 6.360 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811804 YNPYQPFZAPILJP-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823144 FLCZNUSGVVMLDF-TWKHWXDSSA-N 518.371 5.016 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59147362 VZRQXSOUGJVUCK-VMJBBSNPSA-N 517.365 5.197 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c1 66201432 ITMDBJIGCKDBNJ-UHFFFAOYSA-N 508.446 5.362 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 96438661 OBEZUPWULCPZBK-ZOLHPDHPSA-N 510.569 5.539 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100079950 BZEYQJPVGGFMEL-INIZCTEOSA-N 587.529 5.646 50 10 KKGE C[C@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100140741 XDBXWBUELKRNEK-LBPRGKRZSA-N 556.638 5.012 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229518 IJRYOBXEHJCLKD-UHFFFAOYSA-N 524.198 5.028 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 100451988 DQIRLEZJZHJKKZ-BCWDXYJZSA-N 571.269 5.626 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101293413 ZHLYAXIYWPASBX-YTTGMZPUSA-N 578.596 6.415 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101362213 HOHUEWFTPDMOLU-AREMUKBSSA-N 553.442 7.008 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101369075 HLXYBFPQKXJKLN-DXPJPUQTSA-N 549.421 5.611 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383687 GKLFJJOGVOONCA-KRMUNYKUSA-N 587.434 7.548 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)oc2cc(Br)ccc12 101390986 DTDYCONGXJWAFL-PMERELPUSA-N 607.460 7.520 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396053 BSDJBTNQBVUXQP-DEOSSOPVSA-N 551.451 7.434 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 101531909 MXSYNUJUVYEFAS-UHFFFAOYSA-N 567.606 7.781 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600440 PUNVCVDDSCPBLP-WEMUVCOSSA-N 558.978 6.665 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614348 HDYIFZDUDCWTAI-WPWMEQJKSA-N 593.219 5.073 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCCc1ccccc1 101766824 VPQYVLZVINZQOK-RUMWWMSVSA-N 567.524 6.686 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741759 SOIORIDFEMAAPF-WGHBEHPSSA-N 577.287 6.092 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)N1CCCCC1 110559120 OIHJFUKEGHSXPU-LKUDQCMESA-N 543.693 5.023 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 150428924 BWVQUHPHRQIMTB-RDNGQCRJSA-N 687.372 7.149 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccc(Br)cc12 150482197 DQYANVQRKJQPFK-SSEXGKCCSA-N 676.350 8.827 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205780116 AEWQKMFQQIPCFJ-NQFKHPPRSA-N 662.768 5.562 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 214277546 KJIGGWMDASNBTE-PKAZHMFMSA-N 546.602 6.260 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(Br)c2)/C(=C\c2cccc(Br)c2)C1 229803789 KCXUAJINCYCVHB-NSUHCSJYSA-N 513.233 5.302 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232344395 HLTCUUUMVTYBMW-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1Br 233818589 CUPSHMGAKHEWDC-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE CC[C@H](C)c1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 234023656 WQKSNUQGXVPNTN-GTNSWQLSSA-N 508.035 7.052 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 235816729 FMVCSEBXOXPMHN-SECBINFHSA-N 509.908 6.890 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1[C@H](O)[C@@H]2O 248136584 ACJHNDYFTFXEOF-UDKSZJDKSA-N 984.181 5.736 50 10 KKGE CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1 252627877 SDFDHVHMVLAYHD-NRFANRHFSA-N 520.677 7.554 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254387774 XIFVRCAINKHAME-UHFFFAOYSA-N 692.529 6.218 50 10 KKGE CC(=O)N(N=Cc1ccc(C(F)(F)F)cc1)C1=NN(C(C)=O)[C@H](c2ccc(C(F)(F)F)cc2)S1 254507630 CCGKKMCJPMWFDB-SFHVURJKSA-N 502.440 5.472 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254518688 JIZCLVXOYRYMGU-OERYXMESSA-N 584.610 5.195 50 10 KKGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254557041 CQSCRDTVEHKSFB-BVFDYDLPSA-N 548.643 5.261 50 10 KKGE COc1ccc(C=NNC(=O)c2sc3cc(C)ccc3c2Cl)cc1CSc1nc(C)cc(C(F)F)n1 254645397 MTRFRCWJTIFIEG-UHFFFAOYSA-N 547.052 6.964 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1OC 254758624 FRURWHYPGVMUIO-UHFFFAOYSA-N 540.572 5.031 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 254833328 NHXULLBPELPUFC-UHFFFAOYSA-N 786.866 7.387 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 255976912 HODUUTHQNQITGS-DBTIBLCQSA-N 779.062 9.261 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]2Br 256019280 RPSHGTUVSBAKTO-UVBJJODRSA-N 582.480 6.983 50 10 KKGE CCC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 256068646 KVVLTROOHMLHLQ-CKEBLCTFSA-N 649.074 9.369 50 10 KKGE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]21C 257157207 PODSSBXKTWSWQL-JYFBCJKXSA-N 510.923 10.360 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 1083936822 DVHXWGVRCGNYKP-RUZDIDTESA-N 555.027 5.379 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1083973893 BBLARNSVGZICQK-UHFFFAOYSA-N 649.567 5.429 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1083973915 JIXCVICTBFYDJI-UHFFFAOYSA-N 538.354 5.845 50 10 KKGE COC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 1083982702 KXDMKNLQWQAZKZ-UHFFFAOYSA-N 536.415 6.075 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083999788 NSJGSMFFRWNAQO-UHFFFAOYSA-N 650.308 5.494 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccccc1Br 1084056325 JEEXTXLHMSYHEO-UHFFFAOYSA-N 562.556 7.179 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1 1084138938 CEEYBZPSDZXPJI-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084229773 MRWRVHQCGRJZKU-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(NC(=O)CCCC)cc3)cc2)cc1 1084272600 HBOFVFUECPIHKO-UHFFFAOYSA-N 568.678 5.472 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084291078 SIIHDJKOYUXCIM-JOCHJYFZSA-N 709.149 6.746 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 1084568886 XIVBGHSFALTLPK-UHFFFAOYSA-N 668.386 6.682 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(OC)c(OC)c4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084594892 YXKBRFJGUABPGN-UQARTHHBSA-N 525.605 5.471 50 10 KKGE CC(C)(C)[Si](OCC1=C[C@H](OCOCc2ccccc2)C2=C[C@H](O)O[C@H](CO)[C@H]2[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1307318225 RKLZMEQGFZXALC-UHBFVKAMSA-N 706.908 5.540 50 10 KKGE CC(=O)NC[C@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2[C@H]1C 1565535804 KGBSGBJFEOXATN-LEYLQKFLSA-N 623.616 6.746 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653153 MUIIKVJLPHCAPR-AQNDBQFPSA-N 564.538 7.420 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 1614653307 XPDCMOUSFRGXTL-ZISNHOGTSA-N 537.729 6.950 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750919 QOAXQRDFSTXFAY-UHFFFAOYSA-N 569.367 5.906 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683867 JUDFCVJIUJVJIQ-QHCPKHFHSA-N 513.395 5.588 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688765 ADFRVHJYIAZNNX-MRXNPFEDSA-N 555.738 5.298 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865692807 IMEASKBAIAKGDZ-RUZDIDTESA-N 510.569 5.753 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(Br)c1OC(C)C 1865695933 ARPNPPJBOIGXCP-JOCHJYFZSA-N 527.394 5.155 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696527 GZLNAERCTDXGPS-LJQANCHMSA-N 539.341 6.212 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703590 CBXRRHMHBOERMC-GDLZYMKVSA-N 539.079 6.951 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711724 GSXJRLIQVPBWOQ-MGBGTMOVSA-N 568.677 6.870 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 1865714387 IZBJBYVSHAMSBX-QFIPXVFZSA-N 517.814 6.232 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434252 ZIJLEUXVSSYHHQ-HKBQPEDESA-N 564.089 8.405 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753750 LFSXJZRDQZAITF-HYOGKJQXSA-N 504.611 8.407 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872754608 AJVCHLKDWKYZKY-OLIJMITPSA-N 505.423 7.174 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c1 1872791371 HNABPIUSIFIFRT-LFYBBSHMSA-N 522.218 6.122 50 10 KKGE CCCC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1878039382 OOGHWIJQKFDLIB-NWGYLPEXSA-N 537.981 8.078 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1880657719 UPJPBEFWBQZOPD-LJQANCHMSA-N 503.775 5.585 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2cc(Br)cc(Br)c2)C1 1900366991 KTTFLVPSIFBCEV-ZIAGYGMSSA-N 514.052 5.111 50 10 KKGE COc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924583103 FYEFYDPKSIGVQI-SSDOTTSWSA-N 525.907 6.590 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605513 SIFARYORPRDXDZ-NJGYIYPDSA-N 537.859 7.450 50 10 KKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(I)c1 1925588044 NBGMTBKODGWYCH-QMMMGPOBSA-N 500.385 6.936 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)s1 1942100928 DRUIPCOYEFGRPI-VIFPVBQESA-N 523.935 7.144 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 1945454196 LOPLZRQLXHHASI-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE N#CC(=Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccc(NC(=O)C(C#N)=Cc3ccc(F)c(F)c3)cc2)cc1 2053614232 HWACEOKNJFVZFQ-UHFFFAOYSA-N 582.513 7.127 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1C 2082883437 FYIUGTZEKCIJJS-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c1C 2082885350 QAYPZNMUQRUJFM-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12COC[C@H]1C2 2085492210 IAMWEZDGJBLFME-IDTHNEBUSA-N 524.272 6.053 50 10 KKGE FC(F)(C1CCCCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2128815916 LMUWNZBGPOWEIZ-VIFPVBQESA-N 501.456 7.531 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccccc2Br)c1Br 2136377903 AVEJHYIIWDKGPX-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1ccc(Br)cc1Br 2138855892 YJHRSEJLXPKSPN-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141476442 ARVRFHABJRARPU-CQSZACIVSA-N 532.295 7.373 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1Br 2148681214 IGNHGJMSHXDFKW-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1cccs1 2179828803 UKBCQDFSZXWDEF-UHFFFAOYSA-N 529.319 6.105 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2202995415 AUSQLBYZMGLSDL-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(F)cc1I 2218801711 XTONNRQUGPIXRN-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198249 NHVMQXFJXYMUIU-QHCPKHFHSA-N 563.433 5.100 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CI 2295157448 HISNRFHCHAMNRT-DBXCSHQOSA-N 554.673 9.257 50 10 KKGE Cc1cc(=O)oc2cc(NC=C(C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)ccc12 2295945914 UKRSKJMVLSGULV-UHFFFAOYSA-N 532.375 6.070 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]([C@H](C)OCCC(=O)OCC)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2296454791 JYUVYDXFZCBMDX-LEULRUAMSA-N 661.129 10.545 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1 2296507031 PWZIQCQFTRSELV-AREMUKBSSA-N 550.511 7.401 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)c(Cl)c1 2313630878 GZBZYXVXMQEQKO-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(O)c2cc(Br)ccc2n1 2314488737 NGQGHPIXQUHYSE-UHFFFAOYSA-N 546.337 5.088 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314594024 XOYBCRCRRTXUCH-LJAQVGFWSA-N 523.702 6.334 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 2314617408 XSHNHGORRGIDGE-UHFFFAOYSA-N 620.681 6.319 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314617498 ZIDHEKOVHLVXOK-UHFFFAOYSA-N 542.595 5.145 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314617925 DDZASERGJYHIPP-UHFFFAOYSA-N 562.601 5.496 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314619938 HJFZOBREQAYZJQ-UHFFFAOYSA-N 590.611 5.413 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C(C)=C(C#N)C2=O)cc1 2314620784 VAVCBKWADPBYQI-UHFFFAOYSA-N 554.606 6.129 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314720617 UIPKJGGZRSSOIF-SANMLTNESA-N 514.965 5.639 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1ccc(Cl)c(I)c1 2315595928 MPLFVGLLGMMDOU-UHFFFAOYSA-N 508.463 6.309 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2331440142 GUCBJFDYTYUKKH-UHFFFAOYSA-N 510.059 6.564 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCC(=O)N(CC)CC 2331469934 NYBWSNNBCHGKPT-UHFFFAOYSA-N 519.667 6.146 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 2331492888 YLAVVINPXCHNNB-UHFFFAOYSA-N 511.647 6.927 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)sc1Br 2335294983 WVKUOGVQBBAWHR-VIFPVBQESA-N 532.281 7.810 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336083312 JEQTXJASRKKMPG-OAQYLSRUSA-N 515.072 7.967 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2COCCC2(F)F)c1Br 2362228107 LTLXMJSGCABLDY-MLUIRONXSA-N 501.362 6.112 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2I)c(F)c1 2367453073 OFNAGXXUQOCVPP-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1cccs1 3013996 XBMAHEVBNRPUQK-NRFANRHFSA-N 563.433 5.737 50 10 KKGE CCOC(=O)C(C#N)=C1/C(=C\c2ccc(Br)cc2)CC/C1=C/c1ccc(Br)cc1 35253404 FWWISIHVFKYMHI-SXQSXHJWSA-N 513.229 6.856 50 10 KKGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40649910 YVNYKYMINQNSJJ-UHFFFAOYSA-N 519.345 5.005 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1Cl 40812864 QHAQBMPLVAAKRD-TURZUDJPSA-N 514.807 6.035 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc(C)c1Cl 100091395 NVXZRYILDYTXSH-UHFFFAOYSA-N 570.665 5.240 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337687 BVECAKUHOIUIAX-IEIKYZJLSA-N 574.656 7.211 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101338526 HVKRTGHTGKTJTF-VUTHCHCSSA-N 534.660 6.499 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C2=O)cc1 101339943 RTSGVLKGTQEEAX-JFLMPSFJSA-N 532.575 5.788 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101367742 KGOIOBQPXBQOJR-WRHNGFHOSA-N 532.568 5.604 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 101373948 BDKSDXSHGKIAOA-SSEXGKCCSA-N 544.604 5.475 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 101374236 DVVRUUGSYZGJLK-QSISKDRPSA-N 565.453 6.874 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 101375238 UHCPKHGVUKUJHO-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384500 IPJBSFYUDOWCHD-HKBQPEDESA-N 550.586 6.631 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384828 FYYPGJMYQAVJIL-JJCDCTGGSA-N 605.449 7.303 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1F 101388829 XQMKIBAEBJPJLC-PMERELPUSA-N 615.455 7.003 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 102666018 PMZPNAMFKZDPFM-FNBPXTNNSA-N 522.399 5.653 50 10 KKGE N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)Nc1cccc(Cl)c1Cl 103888834 DWCNBOQQYPGSCV-RUDMXATFSA-N 584.966 5.454 50 10 KKGE O=C(CSc1cccc2cccnc12)NNC(=O)c1ccc(NC(=O)CSc2cccc3cccnc23)cc1 105528024 QTKVCZNRMDPOSM-UHFFFAOYSA-N 553.669 5.067 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150411041 DWAJQKLATIGXNT-UHFFFAOYSA-N 674.209 5.631 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC(=O)c1ccc(OC)cc1 150591228 GZDMVTWCSVWYGM-YVLHZVERSA-N 645.260 6.292 50 10 KKGE CCCCCCCCC[C@@H](I)CCCCCCCCO[C@@H](CC(=O)O)C[N+](C)(C)C 198499525 DFLICWRDAYKGDE-RPWUZVMVSA-O 540.591 7.228 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCCCCCCCCBr)CCCCCCCCCBr)cc1 207086212 UORGBHWYDCRHKM-UHFFFAOYSA-N 581.499 8.237 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214277407 MSROBLFQGCAHMT-JDCMOKTRSA-N 570.693 7.291 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Br)ccc2Br)c1 236069385 DAWKFCSVCSZGAO-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2I)c(F)c1 236168804 XYHAQWWLQVNDNS-LBPRGKRZSA-N 501.934 6.011 50 10 KKGE CO[C@]1(CBr)O[C@H](COC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1 252438215 CZFCSSKUAJZSPB-ANOKCIKSSA-N 611.485 5.356 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccccc3)ccc21 254477795 SEPYKVKHMOEVBA-UHFFFAOYSA-N 560.683 6.313 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc3ccccc23)cc1 254492305 RQXTZIIISJCSKF-UHFFFAOYSA-N 545.595 5.491 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(=O)/C=C\c1ccccc1 254858941 YQJMEDHYKVMZHS-RTYVHASGSA-N 520.585 5.965 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(OCc3cccc(C)c3)c2)c1 254873071 BYCUMKOBHFHUJR-UHFFFAOYSA-N 554.559 6.042 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccccc1Cl)[C@H]2Br 256018994 FIUAFQLBQOVQDG-ZLIFDBKOSA-N 528.510 5.642 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(Br)cc1 256028589 WOTKQVXFEQNFEK-UHFFFAOYSA-N 662.429 6.950 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc3ccccc3s1)[C@H]2Br 261366814 XAVWBXLWSVSLCW-GOPGUHFVSA-N 537.115 5.921 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCCO3)cc1 642813683 GOHJPLKVTOBWHZ-UHFFFAOYSA-N 678.793 9.372 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 719585266 VDJMAJZCXNZAMS-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CC1 725238549 MKMUFOXECYYFDR-AREMUKBSSA-N 570.111 5.933 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@H]2CO[C@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]13)C2 725435677 RYABJKPQYNQPOE-MKDNCHNFSA-N 548.837 6.828 50 10 KKGE C=CCOc1cc(Br)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084016213 JWHPKTXKPDWYBN-UHFFFAOYSA-N 558.476 6.943 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1 1084136242 WWIYBGRVGAQYOB-UHFFFAOYSA-N 547.662 6.557 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1 1084166989 WYEJDJZMTNCAHW-UHFFFAOYSA-N 568.265 7.029 50 10 KKGE COc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 1084209974 KGUISJKIUXNMBX-UHFFFAOYSA-N 533.875 6.074 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1 1084373986 BMEAHOXWTGKWTC-UHFFFAOYSA-N 669.563 8.107 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccccc1Cl 1084525853 BMBDIIOYHCKDER-UHFFFAOYSA-N 648.885 5.173 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c(Br)c(Br)c1O 1565517473 ADMWLJRZVMWGME-UHFFFAOYSA-N 629.346 6.467 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 1614653249 XDQASMFEGHELBR-YPXGIFEZSA-N 509.675 6.422 50 10 KKGE C/C(=N\NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(COC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 1616047046 DOFVJZHTZMCBGX-VBRLPAEESA-N 558.384 6.765 50 10 KKGE C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718533 FFABXJJLIRRKCS-BFUYKGJQSA-N 531.248 5.869 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746773 GSGSKURFQMNRES-UHFFFAOYSA-N 581.444 6.335 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Br)c1O 1865688302 OWYOCYJMQWKFMD-IBGZPJMESA-N 546.219 5.028 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865690802 BKHLUXQAAKZOKR-NRFANRHFSA-N 550.940 6.148 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695645 FOQSTTGKVQCTCG-HSZRJFAPSA-N 559.420 5.302 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865696443 MXSRGRQMYWCRHN-SANMLTNESA-N 521.061 6.333 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865700175 MJPSNLGZYHXKPU-XMMPIXPASA-N 512.400 6.605 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701241 PSVYYXKIEVVWBL-HXUWFJFHSA-N 558.274 5.641 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703670 YQWFCOZPCHVOBM-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704012 KRFUVSRMEWXXKG-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705139 NGLKTEOMUARWDC-VWLOTQADSA-N 547.442 6.860 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705818 GOIVUBJRLXSIAK-JOCHJYFZSA-N 518.360 6.032 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865709067 MSVZRNFPZCNVQR-NDEPHWFRSA-N 573.694 5.223 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866994726 HRWCENQQHDTLBD-DQEYMECFSA-N 526.489 6.672 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868301082 KEDAXWLDAJNWEJ-MGBGTMOVSA-N 553.735 8.656 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)[C@H](c2ccccc2)c2ccccc21 1868565950 RDENUZGLVXGVRD-WJOKGBTCSA-N 540.696 7.743 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)ccc3OC)n2)cc1 1872753139 IPCALCHPZSPZFC-XRHYLZSKSA-N 504.652 7.683 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2csc(Br)c2Br)s1 1901028674 NKGQHZCTRBPQRZ-ZETCQYMHSA-N 532.875 6.921 50 10 KKGE CCC(CC)([C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924607996 BWTGWECBEGUPHK-SSDOTTSWSA-N 551.886 7.840 50 10 KKGE Cl[C@@H](Cc1ncccc1Br)c1ccc(I)c(Br)c1 1924874771 DSESWCWCXPFWCN-NSHDSACASA-N 501.387 5.734 50 10 KKGE BrC1CC(COc2c(I)cc(I)cc2I)C1 1991501425 WKMLOQZRZGNGHJ-UHFFFAOYSA-N 618.816 5.053 50 10 KKGE COC1CC(CC[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2042740738 AZJUFGZDPDJQDZ-RRQHEKLDSA-N 525.926 6.677 50 10 KKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2062718623 RJYPIMOOCOMFIQ-BHNWBGBOSA-N 525.926 6.677 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)co1 2085493477 CHFORLLKXKYEQU-SECBINFHSA-N 631.576 7.576 50 10 KKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613037 KWLJWGXBVRIACH-TZMCWYRMSA-N 515.027 5.222 50 10 KKGE COc1cc(C)c([C@H](Br)c2cccc(Br)c2Br)cc1Br 2198738764 DUFPEOSGLNGCTR-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Cc1ccc(C)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397199 GMXFCOBMEDFDHD-ZDUSSCGKSA-N 590.773 7.838 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1I 2207111211 NWOWVFCHXAIVMS-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2231826746 SZCMARWQNBTHDR-QXGXAUQUSA-N 507.391 6.283 50 10 KKGE Brc1cccc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238062933 KTATZGCLZGGJIJ-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268283835 JHMQSORWKGZJHX-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccco1 2296707844 RHIXJKPNKAODNS-UHFFFAOYSA-N 500.558 5.935 50 10 KKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C)n1CCC(C)C 2297486943 DVJKSLUWKPUEBA-UHFFFAOYSA-N 540.491 7.198 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12 2297533939 FJHDYAOLSFUQOZ-UHFFFAOYSA-N 510.391 7.130 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(Br)cc2Cl)s1 2300954030 RKMPZOQAUAQKLA-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2309957999 RXCKJGXTTQBTDH-XGEHTFHBSA-N 521.938 7.298 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521615 ZVRXWWQOYUDZSP-UHFFFAOYSA-N 560.775 6.895 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(C)c1 2313567114 GOEBHGKUWRBCFY-UHFFFAOYSA-N 546.465 5.601 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314611516 WDXUMZDAFZJVPF-UHFFFAOYSA-N 577.084 7.020 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314617143 ROOXFCLSJBOTQQ-UHFFFAOYSA-N 586.667 7.182 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314618801 UPUXVCSIDYUZEA-AREMUKBSSA-N 608.673 7.611 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314620362 OEUAZYUWERWSHU-UHFFFAOYSA-N 603.635 5.690 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 2314634174 WOQUMHUQBHGWLH-YTTGMZPUSA-N 514.581 6.411 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1OC 2314751184 VFMNZPBWHCWEDX-FQEVSTJZSA-N 546.620 5.802 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 2331286720 DALSXPKQRBVGSB-UHFFFAOYSA-N 513.525 5.877 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2337082608 OAAXNYWOSUMDPS-LJQANCHMSA-N 519.035 7.911 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2occc2Br)c1Br 2339654190 QBSOOYWHRGIFHP-NSHDSACASA-N 517.837 6.368 50 10 KKGE Cc1nc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1C 2362441487 KGUGNFYXGHHTOQ-JTQLQIEISA-N 615.183 6.869 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(I)ccc1Br 2365185256 IKQDILBRCVXSED-GFCCVEGCSA-N 641.736 7.511 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365597550 HTXFRQYQBOEJKQ-ZDUSSCGKSA-N 550.843 6.853 50 10 KKGE Brc1cccc([C@@H](CI)OCc2c(Br)cccc2Br)c1 2366145136 NUGZTXZGYXVBDP-OAHLLOKOSA-N 574.876 6.667 50 10 KKGE Fc1ccccc1[C@@H](CBr)OCc1ccc(I)c(Br)c1 2377595293 NUEPDNHTVVAACH-OAHLLOKOSA-N 513.970 5.846 50 10 KKGE Clc1ccc(I)cc1C[C@@H](CBr)Cc1ccccc1Br 2380515761 TXALZEIWLMJRJW-NSHDSACASA-N 528.453 6.503 50 10 KKGE Cc1ccc(CBr)c(OCc2ccc(I)c(Cl)c2)c1Br 2381131915 TZVNRTYQUMJTGV-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE COc1cc(/C(C)=N\NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1OC 33624395 GMFLEASLQBNCIE-QXPFVDMISA-N 510.590 6.112 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651541 NAHFSCVKDKJWTC-AREMUKBSSA-N 519.395 5.775 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 39858523 MUALIGJHYACWMV-XLNRJJMWSA-N 506.606 6.255 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812834 QHMOJDNLNCMITA-JBASAIQMSA-N 522.443 6.416 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@@H]2[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C 60291229 GWUJDUKNOAFEOH-SWBVYJIISA-N 638.813 9.294 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1 100335430 QNYCBHRMKNGBKN-RGVLZGJSSA-N 525.830 6.853 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 101012286 HXLLATFFZNOYMM-YKQZZPSBSA-N 570.045 7.249 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241195 JHKXXIMYMZQZGK-GHRJURJJSA-N 525.674 5.951 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 101333523 WJXMTABYJKNMRD-KOEQRZSOSA-N 526.612 6.250 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 101377138 WFBVGUAWDHNIFI-GDLZYMKVSA-N 547.051 6.728 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381520 VRSTUPVHJQOOPP-HKBQPEDESA-N 534.568 5.477 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101387926 SNKVAPFDMFGXDU-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101389002 VKZHZVLVHFWLHV-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389144 HQCKQQZVGPCIAY-JEHQLEFQSA-N 622.693 7.518 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)sc2c1 101391750 MDVVMPXEJRUMGG-JOCHJYFZSA-N 517.950 6.209 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101395285 IIKREQNYGSJSHU-SSEXGKCCSA-N 552.627 6.983 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 101399245 QWOSKDWYXNXBAE-SSEXGKCCSA-N 603.458 7.027 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610198 MTFIDXYPFGIDEZ-IWBSIUBASA-N 599.485 5.414 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 101727091 XZFUISIDDFPULO-VFLNYLIXSA-N 602.963 7.056 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 103649527 IFIWCPXUCXOBEZ-WQRHYEAKSA-N 519.976 7.131 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 103876925 HBNDLVLFEUXSPT-HWLOXFRGSA-N 539.679 7.833 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1OC 128541211 ACKXNRIHAOEMDJ-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 150460230 QWXQRYMIEBOFDQ-QSRSGOJESA-N 683.186 5.907 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 161193394 FJUHODBWFVFEDF-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE Brc1cccc2c([C@H](Br)c3ccc(I)cc3)csc12 163397915 TZPYLQCJZAEFEA-CQSZACIVSA-N 508.016 6.753 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 164622961 BAVKEKZNTIJFJY-SEBMTOOBSA-N 649.545 8.195 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1 164632583 BHSSROPOPLWNIM-ZSNJKBEMSA-N 751.406 8.313 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214333164 IMTWDTDKFUUWNW-GXRAVQHVSA-N 570.693 7.318 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C2=O)cc1 214400555 HGLYYBQFYGQFOS-RGXNXFOYSA-N 600.719 6.726 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 232482451 VPCUXLOLAWQBTF-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE CCOc1ccc(C)cc1[C@H](Br)c1cc(Br)ccc1I 233781827 DHJNLEJXEUGWER-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)n2-c2ccc(OC)cc2)cc1 254346896 CCWBUDIOSYMQTF-UHFFFAOYSA-N 565.655 5.986 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Cl)ccc1O 254495815 RREYXSLEWKWNQN-INIZCTEOSA-N 585.915 5.632 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@]3(CC[C@]4(OO3)[C@H]3CC[C@@H]([C@@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)C[C@H](O)[C@]42O)C1 263626148 OPAXDOLIIPLMGB-INVZUESDSA-N 506.724 5.578 50 10 KKGE Cc1cn([C@@H]2C[C@@H](Cl)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(O)nc1=O 306147164 UPBVZHGDVFKZMX-CYXNTTPDSA-N 502.998 5.161 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]12C)C3(C)C 504659436 BBYAQPUKLNVRCJ-BIYVBIKSSA-N 815.162 7.712 50 10 KKGE CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)n(-c2ccccc2)c(=O)n14 575417063 KCXLAKGJFFCJGC-SYUAOUFVSA-N 690.058 8.231 50 10 KKGE in-vitro CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)OCCl 616576599 HAKLHBNFZXCEPO-MHECFPHRSA-N 529.033 5.280 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccc(Cl)cc3)c2C)c1 725381020 BODWAEMRSIMQIN-UHFFFAOYSA-N 504.881 6.369 50 10 KKGE CC[C@@H](Cl)c1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 725414475 SYHYJDGFFDRJIN-AREMUKBSSA-N 549.074 8.002 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818413 QXQZQDMMTWVWDX-CHXCTFQWSA-N 654.920 8.706 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 1083927802 ABSILHKTSYVJJP-UHFFFAOYSA-N 589.227 6.451 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2ccccc2c1 1083964345 XERIQCSLKVHHCN-UHFFFAOYSA-N 608.286 7.463 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(F)cc3)cc2)c2ccc(C)cc2)cc1Br 1083965839 YIRZHMZQTCUIEW-UHFFFAOYSA-N 610.505 6.065 50 10 KKGE COc1cc(C=NNC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc2ccccc12 1083989250 XISBCZZYLOOANE-UHFFFAOYSA-N 539.429 7.107 50 10 KKGE Cc1c(Br)ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)c1C 1083996655 UCQCIRIWGISMKX-PTNGSMBKSA-N 500.190 6.634 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(NC(=O)c2ccccc2F)cc1 1084049836 SRGDKMIWRFILEE-UHFFFAOYSA-N 501.945 6.074 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084049932 LQBSZPAZOPPIBP-UHFFFAOYSA-N 568.699 5.798 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1C 1084074370 QUVLMIPNRDOKJY-UHFFFAOYSA-N 563.123 5.706 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1Cl 1084234665 UCVKIKJEVHDEIW-UHFFFAOYSA-N 545.275 6.030 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c2ccc(C)cc2)cc1 1084428725 AUKGSVQJIBHCGZ-UHFFFAOYSA-N 557.672 5.318 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1084502633 XCTKIHLOJZBBSO-XMMPIXPASA-N 559.432 5.538 50 10 KKGE C#CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084521165 DRGUCCVNKYYZPS-UHFFFAOYSA-N 685.303 6.438 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084533787 ODSYNINWQKOJEB-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 1084549558 UTTQHRNCFHXHIZ-JOCHJYFZSA-N 564.249 5.894 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCc6ccccc65)c(C)c43)coc2c1C 1772751773 MNDXXMDDGZVKLW-UHFFFAOYSA-N 509.606 5.943 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681354 LBFZMVSWCGSQMX-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865686931 FJOGIVZZLSEFJR-XMMPIXPASA-N 532.522 5.756 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865689032 IGQGBXUDZGGHLD-MUUNZHRXSA-N 520.633 6.231 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689497 ATTSGSHDDCZJIM-SSEXGKCCSA-N 556.622 6.354 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865690956 FWVKHTQNAJXLEH-JOCHJYFZSA-N 543.849 5.671 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865692083 AKJWXCFCCQBORC-NRFANRHFSA-N 509.404 5.213 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865695429 CFGGROCQLDTISV-QFIPXVFZSA-N 546.977 6.730 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703349 UMJKYQNVCWTBST-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705249 PINAQEWXIUSENO-SANMLTNESA-N 561.425 6.242 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706656 BXNKPNQXZRVWTI-GDLZYMKVSA-N 521.640 6.268 50 10 KKGE CSCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780699 GMGLQOVAKLUNCZ-DQEYMECFSA-N 507.656 5.797 50 10 KKGE CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455832 DMZQEVRUFFMQOZ-HHHXNRCGSA-N 523.681 8.238 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872756078 QZPZNCVJLJDXOT-ATHPHSJWSA-N 503.649 5.946 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 1872756222 FVLIQXFOEPFBMQ-WTEWXXSUSA-N 510.015 5.883 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(Br)c1OC(C)C 1872792604 HUJAQYBBLJWSAP-AWQFTUOYSA-N 511.485 7.666 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc(Br)c1O 1872793720 PRLVZCZTLFGTRX-WLRTZDKTSA-N 521.820 6.412 50 10 KKGE C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1884228191 UVVNVXRGCNEAEW-GSVOUGTGSA-N 500.648 6.193 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915270956 IJZYBMMWIKQXIW-SFHVURJKSA-N 563.071 5.870 50 10 KKGE Cc1ccc([C@]2(C(F)(F)F)NC(=C(C#N)c3ccccn3)O[C@@H]2C(=O)c2ccc(Br)cc2)cc1 2042449343 AEPPTCQQDBSTRG-VWNXMTODSA-N 528.328 5.674 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2sc(Br)cc2Br)cc1Br 2048496637 JEPSSLMKRWVTMJ-NSHDSACASA-N 538.324 7.482 50 10 KKGE CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CBr 2069468897 XWTRHFCEBQLGLS-UHFFFAOYSA-N 797.910 6.297 50 10 KKGE CN([C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12)[S@@](=O)C(C)(C)C 2080745677 SLXVYPHFSDYYON-VCRWUWJOSA-N 599.780 9.228 50 10 KKGE C[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085494776 NKKQCAXIFFFRNA-RNHFCUEFSA-N 592.767 5.606 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085495702 RYERMURNIQKOKK-VXGBXAGGSA-N 526.288 6.443 50 10 KKGE FC(F)(C1CC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495723 SCCFRCHXJZJKCU-JTQLQIEISA-N 532.242 7.062 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)c(F)c1Cl 2136964478 PQXNWIMJFKOEOX-QMMMGPOBSA-N 515.826 7.295 50 10 KKGE Fc1cc(Oc2c(CBr)ccc(Br)c2Cl)c(Cl)cc1Br 2154375844 MSFCHHKJDAQEMK-UHFFFAOYSA-N 507.806 7.345 50 10 KKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2155832466 UFLRGDOLTNSABK-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(C)c2I)c1Br 2201076313 FOICZXVQMORHHN-HNNXBMFYSA-N 528.453 7.070 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1Cl 2201622844 YJACHWBYGUAGDW-LURJTMIESA-N 513.789 6.014 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 2202345761 OWAIGRRNOMVJDW-AWEZNQCLSA-N 503.843 6.964 50 10 KKGE COc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2207260184 DWIODDOYAADENO-CQSZACIVSA-N 534.388 6.292 50 10 KKGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(Br)cc2I)C1 2207273309 TUFSOSCTFQWJKT-LLVKDONJSA-N 515.027 5.079 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)c(C)c1Br 2227361030 YXTXOQLPUBOASC-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sc(C)c(C)c2Br)c1Br 2237632159 TZKZIVNUNQJPJK-CQSZACIVSA-N 545.960 7.754 50 10 KKGE Brc1cocc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2258116222 BMHHJZYLMDQOJK-VIFPVBQESA-N 631.576 7.576 50 10 KKGE COc1ccc([C@@H](Br)Cc2ccccc2I)cc1I 2269551394 YLRWTAFLIKQZBJ-LBPRGKRZSA-N 542.980 5.583 50 10 KKGE Cn1ncc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1I 2272734773 REYXBOOBTCHGRZ-MRVPVSSYSA-N 570.795 5.312 50 10 KKGE FC[C@@]12CC[C@@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2274670437 DGSMYVBJSALRRF-UWJYBYFXSA-N 541.900 6.380 50 10 KKGE COc1ccc2nc(C(C#N)=Cc3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)[nH]c2c1 2294284783 WUBZYOHJJFXIGB-UHFFFAOYSA-N 515.367 5.857 50 10 KKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cc(I)ccc1Br 2295302606 ZOOYGIBSPKQFKZ-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)cc1 2295482955 HSPYIHPZSQRITI-UHFFFAOYSA-N 665.180 5.667 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 2295956229 IYBBNBJCGWUIPS-UHFFFAOYSA-N 600.911 8.004 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1ccccc1 2296541901 GKRPVLKFXXYFJK-KRWDZBQOSA-N 515.367 5.034 50 10 KKGE CC(C=NNC(=O)CCC(=O)Nc1ccc(I)cc1C)=Cc1ccc(C(C)C)cc1 2297271789 CFCKFXPSKVLLEA-UHFFFAOYSA-N 517.411 5.647 50 10 KKGE O=C(CC(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)[C@H]1C=CC=CC1 2297468401 RHAACQCPGMLCSD-SMWREMLRSA-N 814.990 12.050 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C=C(C#N)c4nc5ccccc5s4)cc3)cc2)C[C@@H](C)O1 2297476821 UYHHGHATHSRWIJ-WOJBJXKFSA-N 559.669 5.378 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 2313568166 OYPGDYWAXYYQJP-UHFFFAOYSA-N 538.341 5.423 50 10 KKGE Cc1ccc(COc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1 2313571283 RJXHDKLYLBBGOV-UHFFFAOYSA-N 563.222 7.031 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 2313730508 YHYNKRYLNASNNV-UHFFFAOYSA-N 546.794 7.078 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592483 VIKNJHWIXPEPMS-VWLOTQADSA-N 535.591 6.696 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593762 SHAFLAPCJMRCIM-QYBDOPJKSA-N 550.511 6.859 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314616534 CYBDLMKZXMKZAR-UHFFFAOYSA-N 506.606 5.661 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314617168 SBBZUEFRTSUPPL-UHFFFAOYSA-N 542.639 6.081 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617369 WYGQSSPMMCSNBR-UHFFFAOYSA-N 659.573 8.260 50 10 KKGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618284 KQXXNNVRMMSHJF-UHFFFAOYSA-N 509.002 5.335 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 2331260480 NFIMQBWUCOHKPP-GOSISDBHSA-N 508.441 6.289 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2C1=O 2331396326 LWGRXZAEBKDXQW-UHFFFAOYSA-N 515.635 5.998 50 10 KKGE BrCCCCCCCCCOc1cc(Br)cc(I)c1 2338706867 CDEVGFCTKOQTDL-UHFFFAOYSA-N 504.044 6.558 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(C(F)(F)F)CCC2)c1Br 2362222451 BRJPXVDEKLCWDO-JTQLQIEISA-N 503.353 7.173 50 10 KKGE CCn1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2362225136 OSUDMNMIAXCMGU-VIFPVBQESA-N 554.277 6.467 50 10 KKGE Cc1ccc(OCc2ccc(I)c(Br)c2)c(CBr)c1Cl 2377641153 BUIXSIGQVOPDNT-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 3096131 BQIGPDQGOWCRLC-FOKLQQMPSA-N 558.395 5.790 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 34880022 GLZJEJORZCPFIE-OAFPTZQZSA-N 529.559 5.723 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 38606096 QCOGKLCIWKYTTK-OVVQPSECSA-N 524.621 5.265 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812053 NSOYIKWVEJEYMH-HMZBKAONSA-N 507.590 5.607 50 10 KKGE Cc1ccc(OCCCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 40951319 MTWIQZJCEQUJJR-STBIYBPSSA-N 504.428 6.070 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1 97915142 FWSQOOZIYVLQKW-GDLZYMKVSA-N 513.122 6.446 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)cc1Cl)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 97968659 PTMHMYOTGZZNGE-DIWDRYHZSA-N 563.293 8.015 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC(=O)N2 100080765 PBKHSKUCHZCYLT-LQCDKBEDSA-N 589.648 7.037 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1Br 100081946 YCSNTRGXVJGCLX-UHFFFAOYSA-N 597.535 5.022 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)c1ccccc1OCc1ccccc1)NNC(=O)c1ccccc1OCc1ccccc1 100143964 XYCLHIHKEZMJRC-UHFFFAOYSA-N 636.749 5.798 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 100234008 AUVLYDSUNPUABG-QHFFHSHKSA-N 553.747 6.925 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 100236256 GTEHTEMCFMTVCG-POBUXNOSSA-N 575.887 6.053 50 10 KKGE Cc1cc(C)cc(N(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c1 100248676 OHCOASQXITXXLY-UHFFFAOYSA-N 517.593 7.291 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245632 HQPYNZABQWHTAJ-FYAMCCBRSA-N 538.456 6.375 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101307539 CDGNGERLNPGMPF-MUUNZHRXSA-N 536.584 6.369 50 10 KKGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101338294 MYFZBLCPEBNNCQ-PCLIKHOPSA-N 512.993 5.763 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339252 BZTSTUVTYVMURC-MWAVMZGNSA-N 618.759 6.894 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101360466 AXOQPJLIPANEQD-SANMLTNESA-N 533.422 5.949 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 101373962 AEAUOJDOISUBNL-LJAQVGFWSA-N 549.023 6.120 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101375088 DJFYMUAHBQNLBY-GDLZYMKVSA-N 611.522 7.653 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCCCC)c2)cc1 101376331 MQHWNHBYOJQJNM-HKBQPEDESA-N 540.660 7.262 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380555 GCMWJNFMENGACD-XMMPIXPASA-N 612.482 6.303 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)oc2cc(Br)ccc12 101391744 ZIWRYCLOGHIGFJ-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccccc1Br 101393989 YOAVOEFFUXNGPR-OAQYLSRUSA-N 537.822 6.755 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101394679 MSRZSSDMHRUBEB-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398479 DVEMEIWGJITDLO-PMERELPUSA-N 576.992 6.463 50 10 KKGE CCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 101727505 ZRVBGADNACMYOA-RPPGKUMJSA-N 568.946 6.656 50 10 KKGE COc1cccc(CC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1 103871558 QYRLFCYZAJHVFN-HNSNBQBZSA-N 554.716 6.297 50 10 KKGE COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103878233 XTKVFIFRWHBXFJ-MUFRIFMGSA-N 567.281 6.750 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 104993050 DQPASBSSSXHAED-ZXPTYKNPSA-N 538.417 5.466 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 105020732 QIWOFSVRMZHVIR-PNQUVVCRSA-N 565.777 6.200 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 109297431 MRPFNVWNOPNHNG-NDENLUEZSA-N 558.412 6.643 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118920973 JWEOPRVXJUYGSP-JZBDPCPVSA-N 549.678 9.359 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C2=O)cc1 150498080 DMCMQMGEAUABRR-AFENLPBVSA-N 675.811 5.803 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1 206688298 ZNTOQLWHPDRVLI-AQRRZUFUSA-N 534.568 5.709 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214258273 VGVMMVKMIQNAQS-RQZLTBTFSA-N 556.666 6.818 50 10 KKGE C[C@@H](Nc1cccc2ccccc12)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 251528050 DCJDHUXJJBUAJW-LJQANCHMSA-N 502.412 6.132 50 10 KKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 252586594 RFHWTNZCADJYSK-UHFFFAOYSA-N 546.396 6.183 50 10 KKGE CC1(C)[C@@H](C(=O)NN=Cc2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)[C@@H]1C=C(Cl)Cl 252640932 YYFAVFIXUFRSAA-MGPUTAFESA-N 520.671 7.267 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccc(CSc2nc3ccccc3[nH]2)cc1 254384766 GDVROKYHUFJBCD-UHFFFAOYSA-N 577.713 8.230 50 10 KKGE O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(COc2ccccc2-c2ccccc2)cc1 254479210 LWOHLHGICDLHFE-UHFFFAOYSA-N 574.706 6.657 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)c1 254746544 FZNMQBIUPDNNNW-UHFFFAOYSA-N 509.400 5.629 50 10 KKGE CCOC(C)(C)ON=C1[C@H](C)[C@H](O)[C@@](C)(O)[C@@H](CC)OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@@](C)(OC)C[C@H]1C 256001175 SFTHBPKNOPSKEE-KPJZHUIFSA-N 993.479 7.734 50 10 KKGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c(C(=O)OCC)c1C 256017381 KICJIXDETZKEMP-UHFFFAOYSA-N 574.055 5.807 50 10 KKGE COc1ccc(CO[C@@H]2[C@@H](OC)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@@H]2OCc2ccccc2)cc1 575449021 GTDUTIKSKCRUOQ-DWCHZDDLSA-N 642.865 5.475 50 10 KKGE CCCCCCCC[C@H](CCCCCC)CO[Si](OC[C@@H](CCCCCC)CCCCCCCC)(OC[C@@H](CCCCCC)CCCCCCCC)OC[C@H](CCCCCC)CCCCCCCC 642772095 KIAVRPCRHXOERO-SXOMNUHFSA-N 993.842 22.837 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083817584 QXQZQDMMTWVWDX-VTNNJHASSA-N 654.920 8.706 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)cc1 1083920982 IBNCOUBFGTUMGE-UHFFFAOYSA-N 520.754 5.296 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1083991854 KRCRDSVDXFQFBZ-UHFFFAOYSA-N 510.299 5.680 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccc2ccccc2c1 1084100422 ZDVPRUSWGTVSCS-UHFFFAOYSA-N 533.720 7.570 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084169849 KYCKHTMXZIBECB-GOSISDBHSA-N 536.445 5.958 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084331553 ALHBBZRNYCIKNB-UHFFFAOYSA-N 563.404 6.004 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 1084366863 WUEQDMNIGHLMTB-JOCHJYFZSA-N 519.798 5.785 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 1084462000 CGQNTUZCXBWCRG-XKZIYDEJSA-N 523.589 6.877 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 1084549559 UTTQHRNCFHXHIZ-QFIPXVFZSA-N 564.249 5.894 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 1084579322 ZJQPPIJQUIJEPQ-UHFFFAOYSA-N 747.111 8.466 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2)cc1OC 1084642582 VEULPIBEYNOBRO-UHFFFAOYSA-N 588.469 5.616 50 10 KKGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 1614620283 DEAVNUJFQJYFPL-HZPDHXFCSA-N 501.162 5.008 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)cc1 1614769432 KNQBPFZLOTYQTP-MQVVLIQDSA-N 660.752 5.096 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)[C@H](NCCNCCN[C@H](c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 1615949608 MXZLJXZAEUNNFL-CXNSMIOJSA-N 771.791 6.638 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccc(Cl)cc1 1772754673 PACHJFKYUUOAJX-UHFFFAOYSA-N 579.878 6.886 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl 1772755050 JISODPMBBHSGRQ-UHFFFAOYSA-N 524.067 6.294 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865687084 JEUSGOPZQYMECD-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865692475 MJLVKJUOXWBCND-GOSISDBHSA-N 557.411 6.116 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865696659 PRCWJNMBYMDSJC-SANMLTNESA-N 539.051 6.472 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cc(Br)ccc1O 1865696676 PYVJYXYXPWORBO-LJQANCHMSA-N 527.300 5.731 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OC 1865697119 XKMOTXSRWRCNRU-HHHXNRCGSA-N 553.078 6.862 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865702295 RUHZQJCZJOHHTB-MHZLTWQESA-N 523.612 5.810 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704767 DFYJECSNVZHANF-NDEPHWFRSA-N 542.570 6.175 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cc(-c3ccc(C)c(C)c3)n(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866829030 AWZMTTNSMZLOPT-MHZLTWQESA-N 567.671 5.182 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4cccc(Cl)c4)CC3)n2)cc1 1868320827 OXNIJKIDEDQIOL-UHFFFAOYSA-N 528.081 7.470 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868544492 HAMBYAWEWXWLLC-PIKZIKFNSA-N 553.707 7.863 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1 1873941040 SYYDTDKMZDUTOB-QETBKQIWSA-N 511.828 7.639 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915294307 XEUPKZMARFKSKO-CQSZACIVSA-N 524.116 6.335 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc2ccsc12 1923075150 XPDCPHHLJTUIAG-VIFPVBQESA-N 501.490 7.626 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1ccc(I)c(Br)c1 1924054932 CITPLZBPBXAUDS-XLKFXECMSA-N 515.414 6.295 50 10 KKGE CCCCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924600290 PMZZXTUXTJEKSQ-SNVBAGLBSA-N 539.997 8.612 50 10 KKGE CC(C)(CC(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 2015996282 BVJHEFACYILFLU-ZETCQYMHSA-N 519.869 7.153 50 10 KKGE COC1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493452 CBTPBZYOWBMNDU-JCSINIIFSA-N 570.739 6.598 50 10 KKGE CC1(C)C[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495889 SRQYBQQHLQQTCQ-IMTBSYHQSA-N 524.316 7.453 50 10 KKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206396390 WFTHFBPVVSRCNL-JTQLQIEISA-N 564.259 7.749 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206399804 LQBBEKYAGAVNGQ-NSHDSACASA-N 611.191 8.183 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)cc(Br)c1 2218800429 KCMCLRYKDVXTDQ-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1I 2225615136 DCXXHGMDBUSUTE-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(Br)cc1I 2229153861 PHLOULQUALTAHD-GFCCVEGCSA-N 579.295 7.148 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(C)c2)cc1I 2269555391 WGPZJFAMPZTQCO-HNNXBMFYSA-N 542.980 5.697 50 10 KKGE Cc1csc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2272721105 DPACVKLXSMDWSJ-JTQLQIEISA-N 539.859 7.107 50 10 KKGE CS(=O)(=O)C1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2285391659 PWOJTDHZTNENSV-JCSINIIFSA-N 618.805 5.996 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)ccc1OCc1ccccc1 2293202205 WIBPYXPDWRNGGM-UHFFFAOYSA-N 560.473 6.630 50 10 KKGE C[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 2296500301 BZTGLKAYNPXDMM-LBPRGKRZSA-N 500.407 6.084 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 2296507069 RNMNZEQSKHODIH-AREMUKBSSA-N 544.463 7.212 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1F 2313571173 PAIRJBXRINKLGZ-UHFFFAOYSA-N 611.238 7.260 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571327 SMODMCPHTMETNV-UHFFFAOYSA-N 543.188 6.107 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl 2313675593 DLAXCMWLFRKGMB-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cccc(Br)c2Br)c1 2314456474 XHLJNKATDZAEAO-IBGZPJMESA-N 589.947 8.037 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314591998 JCXLOGXRANDDJT-VWLOTQADSA-N 502.039 6.330 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2C)C(=O)N1c1ccc(C(C)C)cc1 2314592536 WVJKQVSLBPDXOG-MHZLTWQESA-N 511.647 6.192 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593819 UDZKBUIXJSCLRM-DEOSSOPVSA-N 552.483 6.135 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611468 UVTIUZUYRSWCNN-XMMPIXPASA-N 611.768 5.742 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 2314753200 KLUSPKVCKXLFTE-UHFFFAOYSA-N 548.592 5.317 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3OCC)cs2)cc1OC 2314753579 BKJGPJVESFZJED-UHFFFAOYSA-N 505.640 6.722 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3C2=O)c(C)c1 2331295895 QSDWTBSNCCFSMM-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)c1 2331320270 QRUDJLQRUZKDMT-UHFFFAOYSA-N 514.072 6.205 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331376338 UIUPFYCMNKCNPB-UHFFFAOYSA-N 518.551 5.213 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1C(C)C 2331464299 WJNWMSDKKNFVJJ-UHFFFAOYSA-N 515.078 8.547 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331480399 OCLBWTUOKMVZCQ-UHFFFAOYSA-N 503.451 7.767 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)CO2)c1Br 2338786268 ZYUONXCCNQLEED-XPUUQOCRSA-N 539.909 5.810 50 10 KKGE Cc1csc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Br 2339683095 ZNPAZZFHUDAPDK-LLVKDONJSA-N 535.896 7.276 50 10 KKGE Cc1cc(Br)cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362226801 XAOOPLLBNAFMBZ-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2367612528 XZJAEMKNXMNXQL-SOUVJXGZSA-N 518.027 5.291 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2369230404 QNJXMKSZRPMODP-WFEFGEHDSA-N 552.370 8.089 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38680017 PPGHFSLBABSLGA-PUAOIOHZSA-N 523.416 6.708 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822613 KEJWNXMHQPMPGV-CDSHQWRTSA-N 514.581 7.098 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1OCCc1ccccc1 40888758 RZHFWRXIDSFQTN-LQKURTRISA-N 511.416 5.225 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 100238160 JFTREESKJKPNFH-QGFINPQDSA-N 546.620 5.064 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 100452141 KLMGZRLPLYXMCS-MGCJZSHXSA-N 536.253 6.299 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244676 NHTIODNRPKRCDB-DBJYNHDPSA-N 511.647 6.274 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101333351 UHMLLZOFLCXPHK-TWKHWXDSSA-N 591.111 7.554 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101337584 YYRXBMNGDJXMLI-XDQFAZSOSA-N 542.595 5.664 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCC(C)C 101374417 UEEHTCMKGDMFTN-JOCHJYFZSA-N 590.501 5.628 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 101375274 QXXZHOCSBGBPFR-PMERELPUSA-N 542.632 6.490 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383450 YLQJVGNVRYUCMP-XIFFEERXSA-N 581.068 7.245 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384908 ONFJDUHCROVMSW-YTTGMZPUSA-N 601.486 7.392 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 101386193 GUMDWWQVWYSLBO-LJAQVGFWSA-N 583.984 6.273 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc(OC)c1OC 101393470 SZHIZKAIPVWWKX-HHHXNRCGSA-N 540.572 5.821 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101395942 NIQUKYWADQXVFD-GDLZYMKVSA-N 611.522 7.797 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 101610015 GEBQLLBSNHQRAV-FDEZRRJOSA-N 549.671 7.008 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC 103649565 HHYNEHCLEFYRPD-ODLFYWEKSA-N 515.557 6.486 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N 103797496 JHMLEAYZFXEANL-VFLNYLIXSA-N 583.236 6.181 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 103890020 DCTXFUFKVFHRAQ-OVCLIPMQSA-N 601.111 8.196 50 10 KKGE COc1ccc2cc([C@@H](C)C(=O)N/N=C/c3c(SC)sc(SC)c3/C=N/NC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 150357536 MEUVMYLFGUPQHN-GGLVNAPDSA-N 684.909 8.023 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150408334 QMKASPJGFLYBGG-UHFFFAOYSA-N 716.290 6.801 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150463375 WBUOYJHBSLQULI-SANMLTNESA-N 720.820 9.052 50 10 KKGE CCC1(CC)[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 155253843 MVCJVPIELFEPML-RYUDHWBXSA-N 616.446 6.065 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 197932217 VWNYSLBEKMNLIZ-YTFSRNRJSA-N 601.022 6.758 50 10 KKGE in-vitro Cc1cc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Br 216507261 IKDGXRCPEOESDF-GFMRDNFCSA-N 515.455 5.511 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232344921 SXPFGICUCUJDLP-CQSZACIVSA-N 534.844 7.106 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 234971175 JRIVKJBTBVGJAK-CQSZACIVSA-N 513.849 6.467 50 10 KKGE O=C(NN=Cc1cccnc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 252598427 DAJIBCDHZVKKKH-UHFFFAOYSA-N 543.623 6.583 50 10 KKGE Cc1ccccc1NCc1nnc(SCC(=O)NN=Cc2cccc3ccccc23)n1-c1ccccc1 252603980 FVZZHOAJZPXTTA-UHFFFAOYSA-N 506.635 5.583 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 254349567 WRKMGVSTMDFSGQ-UHFFFAOYSA-N 746.048 5.795 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)n2-c2ccccc2)cc1 254489588 CTNPWEKMQQYHQX-BJPIWKAISA-N 530.097 6.706 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC/C=C/c1ccccc1)c1cc(Br)ccc1O 254500494 XWMIEYXIZHMGFQ-KKWJUGGNSA-N 530.216 5.773 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254559521 GGVNDHQGYVGGTP-VCGHIOKPSA-N 588.575 7.170 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Br)cc1 254749474 QSOAOTJGIINFAJ-UHFFFAOYSA-N 552.208 5.513 50 10 KKGE N#CC1=C(N)n2c(=O)sc(=Cc3ccc(-c4ccccc4)cc3)c2=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 254868094 QZTVGNJOTZNUQS-WJOKGBTCSA-N 534.644 5.195 50 10 KKGE CCOc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256022795 BKMVREYXIDRRGP-JEBQAFNWSA-N 524.091 5.710 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](c2cc(Br)cs2)[C@@H](CI)C1 382734795 WIFIYEOHXPWYBP-DZGCQCFKSA-N 506.203 5.298 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 504065230 HJLUMXKBLFPFLT-LCPFUUSNSA-N 936.301 7.359 50 10 KKGE C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC[C@@H]5C(Cl)(Cl)[C@H](Cl)CC[C@@]54C)[C@@H]3CC[C@H]1[C@@]2(C)O 504182152 ODWXWMUBXIPATR-LLHZHKGQSA-N 502.998 6.738 50 10 KKGE biogenic COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=S)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642886998 BLKYMIQDVIRXHA-KEASCFNVSA-N 877.130 10.293 50 10 KKGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 721506646 DPCBVDHZBDEQRB-LLVKDONJSA-N 515.027 5.079 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)cc1OC 725434445 NROJHHGYEJZXDP-UHFFFAOYSA-N 602.757 5.112 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1083852003 JUNPWEFAGNWVKX-AHPZMPFVSA-N 546.092 6.586 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084332315 AJXAVKVEYVCSBY-HSZRJFAPSA-N 580.306 6.698 50 10 KKGE CCOC(=O)c1c(SSc2nc(C)nc(-c3ccccc3)c2C(=O)OCC)nc(C)nc1-c1ccccc1 1616047458 ZUJOIBZXAKFFNV-UHFFFAOYSA-N 546.674 6.370 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744260 VHCKIHYDRCVRJT-HNNXBMFYSA-N 538.417 5.942 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749160 IFTZWYJBVXAVQZ-UHFFFAOYSA-N 555.245 6.690 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 1772755989 XAASQKLBPRPIII-UHFFFAOYSA-N 540.296 6.217 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1O 1865682084 FPZYUDSDXDCHFI-KRWDZBQOSA-N 511.287 5.189 50 10 KKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865683051 DWQJJUUYXFOUOE-XMMPIXPASA-N 516.432 6.189 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865684983 CJRISRGJMKYPIM-AWEZNQCLSA-N 503.670 6.209 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OCC 1865686842 CFUMDWYSYKKXTN-RUZDIDTESA-N 551.485 6.383 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865692586 NOVRNOINICICRW-AREMUKBSSA-N 565.512 6.415 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695146 LEQWVSYDTLDJAS-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696940 LRJVQQNYQUDNGG-JOCHJYFZSA-N 557.876 6.255 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696986 MKSASVHLEDXVGI-HHHXNRCGSA-N 557.050 6.274 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865700641 AAIIBOKVDQDMLI-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1C 1865703469 WEHKENPTXRUALT-LJAQVGFWSA-N 536.632 5.948 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)OC2CCCCC2)c1C 1866129854 POMIKLDQOJWMNH-SFQUDFHCSA-N 501.004 5.922 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866972412 ANBHAYJZINCVOJ-ZEQRLZLVSA-N 522.468 6.258 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867052768 HTWOPFDKBIQFAW-XMMPIXPASA-N 513.648 5.077 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccccc3Cl)n2)cc1 1868415562 YZIAKSJLBOYEIV-LJQANCHMSA-N 528.037 6.836 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868456444 OWSWXNUDKZCHBT-DEOSSOPVSA-N 535.570 7.960 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)nc(O)c2cc1OC 1872727735 XBEBVCUOAZNLNT-VCHYOVAHSA-N 503.942 5.658 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1Cl 1872756000 PZHRAPUIENHZAJ-MFOYZWKCSA-N 506.625 8.036 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 1873920893 MBOSRBLGDDCVBD-KRFPAQGRSA-N 503.624 5.798 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915130341 JVFGOYOMVSEXIF-CYBMUJFWSA-N 504.060 6.028 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1sc(Br)cc1Br 1922934355 FUBLBMRXPBIQJF-NSHDSACASA-N 503.879 6.828 50 10 KKGE Clc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1I 1925584715 KVOLRUNTSOBOPI-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)s1 1948823244 LZTZGGBMSVUAGY-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2sccc2I)c1Br 2024293281 GOZUEYNAFIIUBN-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Br)cnn2C)c1Br 2083317052 BTKXRQMUGRNGKP-LLVKDONJSA-N 501.842 5.500 50 10 KKGE Cc1cc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Br 2102372961 BGPFAWYKJIRBGN-UHFFFAOYSA-N 524.890 6.317 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(I)sn3)c2O1 2120030673 XQKLWXMNFJPRCB-INWYIAFRSA-N 515.008 5.318 50 10 KKGE Fc1cc(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 2122801194 LOKBRGVHUWWDIW-SECBINFHSA-N 515.826 7.295 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC(C3CC3)C2)c1Br 2141470723 KEHJTKTXJXFDHK-WZQIAMPNSA-N 580.778 7.609 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@@H]23)c1Br 2141472025 ZAZLLKYXRAXQDO-BZNPZCIMSA-N 580.778 7.609 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1Br 2172560981 WBDFGEYUFMIDKC-LBPRGKRZSA-N 501.465 6.736 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@@H]1OCc1ccccc1 2179831580 YPMNHNKDAVPLGF-OALUTQOASA-N 517.283 5.021 50 10 KKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401639 YKQYOTGEHOWDFD-ZANVPECISA-N 598.793 7.378 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 2217424374 XBIOVWYOLDPKII-LLVKDONJSA-N 550.879 6.670 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1cnc(Br)s1 2234060776 YPVLWRVMLLBKCW-UHFFFAOYSA-N 500.441 5.567 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Br 2236109209 MJAOPYTVJYTEDF-LLVKDONJSA-N 537.793 6.876 50 10 KKGE Clc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1I 2248215036 SYSCAUATAKQUHJ-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)co1 2260070179 NLFFFCIFKUVNNL-VIFPVBQESA-N 509.764 6.330 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1Cl 2283560997 KTDUYAVPEAEOQO-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE FC1CC2(C1)CC([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2287706681 OCQGZEQJWOIRAD-FOZQKEMISA-N 554.317 7.545 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198277 PTCLYKAUSAJNQG-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)c(=O)n(-c2ccccc2)n1C 2296705043 IQAQXJDCGVFQRR-UHFFFAOYSA-N 624.676 6.601 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Br)cc1 2313631264 NCKPAECJASXUCG-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2s1 2314476287 MAAVGXJCWFBRTN-UHFFFAOYSA-N 565.724 6.778 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591975 IUZZBIDXKAWBGJ-DEOSSOPVSA-N 553.562 5.788 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592473 UTYRBCACOVAJQY-XMMPIXPASA-N 538.456 6.457 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(CC)cc3)C2=O)cc1 2314592961 FCANZKAJJZQTOU-MHZLTWQESA-N 513.663 5.927 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 2314618524 OZUMQQCGPMHAAN-UHFFFAOYSA-N 542.611 5.486 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2316833615 CXVKEBQODZHPDC-VKHMYHEASA-N 518.283 6.451 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)c(OC)c3)n2)cc1 2331345767 WWGQRGVCWXUXCF-UHFFFAOYSA-N 518.679 8.073 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc3ccccc3c2)n1 2331362568 BLHGPSSRUNMSEX-UHFFFAOYSA-N 511.430 7.931 50 10 KKGE Clc1cccc(C(CBr)(CBr)Cc2sc(Cl)cc2Br)c1 2372266765 JFXJXOLNOIZJAG-UHFFFAOYSA-N 521.927 7.088 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1c(F)cccc1Cl 32520789 YDXNULZJRZRTNP-KKMKTNMSSA-N 516.019 5.919 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660894 AQBKARKSVVCRNY-HKBQPEDESA-N 510.549 7.069 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38688580 YHDOMBYEDVVQDS-NDEPHWFRSA-N 506.558 6.360 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1Cl 39858760 VPLFBIZALNFCIN-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21 40846249 ZVRQSTMGQVFABP-COOPMVRXSA-N 500.437 5.317 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 58987408 PPWMYSIJPZSYLE-UXHLAJHPSA-N 506.591 5.364 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 100122035 CBZAFOKNWRJNIV-FLFHKRBWSA-N 528.634 6.117 50 10 KKGE C[C@H]1C[C@@H](C)CN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1 100869265 ONDBTBALYALFPH-YBTUZMEPSA-N 500.113 5.177 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243678 FTNRTOHMGSYHAL-QBFBYMSISA-N 552.483 6.306 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101332840 BCXAOCFYZHWFIT-MTDXEUNCSA-N 563.057 6.774 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101335858 ZIEKYVIHRSTFJW-HZHRSRAPSA-N 575.463 5.329 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 101336675 OPDDMXLLLKMKMZ-MTDXEUNCSA-N 548.668 6.817 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 101339476 HXTWNKAVVCBVAB-STBIYBPSSA-N 528.612 5.957 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101368812 SASYFKNMEGPFJP-DEOSSOPVSA-N 586.236 5.423 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 101374195 FUWVJLGUZOPSMZ-MUUNZHRXSA-N 534.996 5.586 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386402 JRHVMGIQIQGOGT-XIFFEERXSA-N 597.067 6.693 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1F 101386815 HUGOFWPXCJFMTM-MGBGTMOVSA-N 580.612 6.233 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101386989 JCSRUECZPDBPHD-PMERELPUSA-N 552.558 5.859 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101388180 FBKDULDWQSOGKI-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OCC 101395430 VAJGNYZUFUHRRC-PDNQPUDYSA-N 546.708 7.384 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 101616585 GCVOTDKTCCPETR-UXHLAJHPSA-N 549.347 5.597 50 10 KKGE CC(C)(C)c1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101647260 UHYHOGPQQGNYMR-GDWJVWIDSA-N 554.872 5.846 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccc(F)cc1 102230213 ORWVSBRRAISZQT-PXNMLYILSA-N 607.763 6.125 50 10 KKGE COc1ccc(-n2c(SC/C(O)=C(/C#N)C(=O)NCc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 103071879 HEIFJQRWNRPYSH-CYYJNZCTSA-N 553.688 5.985 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc(Oc2ccccc2)c1 103733277 MYIZXRVXCCLFOM-YPXUMCKCSA-N 534.679 7.988 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl 104769475 MDKSJRZMXPPMGE-KCSSXMTESA-N 555.063 5.804 50 10 KKGE c1ccc([PH](CCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 114684448 RGTLMVRKDOQNHP-UHFFFAOYSA-N 582.708 7.219 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118921003 YAHXNVGUCZQYAB-CLFQKWOMSA-N 535.651 9.113 50 10 KKGE O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(SSc2ccc(NC(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cc1 150427046 NDZOOODFAIJTMR-UHFFFAOYSA-N 718.824 7.517 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497348 OIEQHKBGDQPUJS-FDAWAROLSA-N 637.567 8.350 50 10 KKGE O=C(O)c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(SSc4ccc(N5C(=O)c6ccc(C(=O)Nc7cc(C(=O)O)cc(C(=O)O)c7)cc6C5=O)cc4)cc2)C3=O)cc(C(=O)O)c1 163964723 LZPTWIAPPSJJJA-UHFFFAOYSA-N 922.862 7.385 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)c2ccc(C)cc2)cc1Br 164604663 OSQACNGVCFKITO-XICOUIIWSA-N 642.575 7.079 50 10 KKGE COC(=O)CC[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1 195830834 YEYXLEINTUHSMY-UHFFFAOYSA-N 987.663 9.937 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214218788 PDEJMTGIWQVJEM-CEUNXORHSA-N 528.612 6.121 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214341108 UTGIICBDXOVCCF-OCHQUJFWSA-N 570.693 7.236 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C2=O)cc1 214394823 FIGCRJLNULBAPT-UCMJSZAQSA-N 624.672 7.058 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc(Br)c(Br)s2)c1 232482583 YNOKYCHEJVUYTH-JTQLQIEISA-N 615.748 7.125 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)c(F)c1 235001889 BVAGKCKDJIZNCJ-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1cc(Br)sc1Br 236038653 NLPYUALLTBWBHQ-JTQLQIEISA-N 571.297 6.968 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254379074 LRSNJIJEGHNKDJ-UHFFFAOYSA-N 508.650 5.013 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=C/C=C/c1ccccc1[N+](=O)[O-] 254382117 WBZHUJWKKAWOHT-NAQKPRTRSA-N 545.646 5.142 50 10 KKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 254494045 UVQRZAWCOWJABH-UHFFFAOYSA-N 605.607 6.089 50 10 KKGE Cc1cccc2cc(C=NNC(=O)COc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)c(Cl)nc12 254763072 GFFRYAKUMAVEKA-UHFFFAOYSA-N 635.949 8.370 50 10 KKGE CCOC(=O)c1cc2ccc(OC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)cc2oc1=O 256020111 ZAPRIRGLBUPEBV-VOQZNFBZSA-N 621.116 5.561 50 10 KKGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 388231527 FZJQJBPEZFVHIY-KPXOXKRLSA-N 571.418 5.259 50 10 KKGE C[C@H](CCc1ccc(O)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 503904022 XGMOSUNKDJMMOP-DBLACVQGSA-N 611.899 9.263 50 10 KKGE in-vitro COC(=O)c1ccc(CNC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237445 HTSIKULDTPVZRD-NRFANRHFSA-N 524.948 5.183 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC#N 1083968567 ZBRCSBYNCBOBIX-UHFFFAOYSA-N 557.448 6.280 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 1083989215 CLVIDKJYWDSAKS-UHFFFAOYSA-N 613.965 5.851 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 1084020187 CNEONJHGJHXBFM-XMMPIXPASA-N 610.332 6.706 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 1084020686 ZVVLOOKLSALRRL-UHFFFAOYSA-N 622.563 8.265 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1084042912 QVWBIMYBZABQPO-RUZDIDTESA-N 636.914 6.285 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1 1084054298 QOWUTDUHOLVJQF-QFIPXVFZSA-N 674.704 6.092 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084194037 YGOFUHRBMUZDDY-MHWRWJLKSA-N 628.091 7.485 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 1084287814 YFEVMMSFOIGKII-UHFFFAOYSA-N 685.518 7.138 50 10 KKGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)ccc1OCc1ccc(Cl)cc1Cl 1084353059 UJPPZYFEXAWIJP-UHFFFAOYSA-N 550.468 5.110 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084539745 DAPVWCUKYOTROR-JOCHJYFZSA-N 545.817 5.344 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084557400 GKYAJTZFFSJZTB-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE CCCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614616575 LFYZQVNKMSDPFP-UPVQGACJSA-N 521.439 6.433 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743698 JJOHNMIYSSYVGX-UHFFFAOYSA-N 545.231 5.836 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772753845 LJQUDFFVVDWVMF-UHFFFAOYSA-N 571.545 7.824 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([S@](C)=O)O[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1775963530 MEIKKMCUTRNHMT-XGNHMDIYSA-N 679.405 5.437 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1O 1865682085 FPZYUDSDXDCHFI-QGZVFWFLSA-N 511.287 5.189 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682482 PMNGLIPHHWGBMX-DEOSSOPVSA-N 514.969 5.193 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865689693 CMOFKOSXFAXKFC-XMMPIXPASA-N 533.415 6.472 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694458 YIUSNVNCQNOXEJ-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1OCc1cccc(C)c1 1865706248 RICJBOPNTWINBF-HSZRJFAPSA-N 566.967 6.659 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710406 XHEQRWAXKCMECG-DEOSSOPVSA-N 557.950 5.099 50 10 KKGE Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865755759 OPRCIGLAYQYEBH-UHFFFAOYSA-N 501.814 5.823 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)c2ccccc2)cc1 1867178424 SUEFZZMAGAVRIF-SANMLTNESA-N 508.607 5.167 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 1868253309 GCWIQZFATOVDDS-HKBQPEDESA-N 538.721 7.148 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(OC)c2)n1 1868387926 CQLUTYDYAXYQBL-SSEXGKCCSA-N 507.663 6.907 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433763 QSJIGXHFQNWRMZ-XMMPIXPASA-N 500.027 6.692 50 10 KKGE CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433891 UFIXPZIAEQZUOH-HHHXNRCGSA-N 540.136 8.753 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CCCCC4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868457070 YQBGBBNSFYQENT-UHFFFAOYSA-N 516.646 5.828 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4cccc(Cl)c4)c(OC)c3)nc(O)c2cc1OC 1872727577 KZWDMWHCNDDUSW-GIJQJNRQSA-N 503.942 5.658 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c(C)c1 1872755720 BMRJJJDKYXTZPM-ZZEZOPTASA-N 508.397 5.587 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1sc(Br)c(C)c1Br 1922935450 PUWSIJIFWRERKE-SSDOTTSWSA-N 524.923 6.593 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@H]32)c1Br 2007592945 MANNIOQGIYATDI-BWDYXRCQSA-N 509.883 5.897 50 10 KKGE C[C@H]1C([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025780017 NWBWSQCDHWYBEL-QKCHBMAPSA-N 510.289 6.919 50 10 KKGE Cc1c([C@H](Br)c2c(Br)sc(Br)c2Cl)nn(C)c1Br 2049255258 HIEZLKTVSALOEY-RXMQYKEDSA-N 542.316 6.215 50 10 KKGE CC1(C)CO[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469767 WVHJQOKXCBUVSZ-PELKAZGASA-N 584.766 6.988 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2148753760 XLRGLGGCVNWFQP-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 2206406159 VZRPXPYSEJSMES-MBHSUJPXSA-N 548.338 7.309 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1ccccc1Br 2225616793 QDWIQXYLKQBPQC-LLVKDONJSA-N 515.840 6.792 50 10 KKGE Brc1cc(I)cnc1N1C[C@H](Br)CC12CCCCC2 2232275238 DXQWFJRQVKWAQN-SNVBAGLBSA-N 500.016 5.125 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(C)c(I)c2)cc1Br 2232836784 LFYOGIAMDMLWBK-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCCCN1Cc1ccccc1 2234075382 PZKSRHYYPULFHO-MRXNPFEDSA-N 511.689 6.355 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)cc1I 2269552935 BTAGDHZFSBMRCN-CQSZACIVSA-N 516.398 6.200 50 10 KKGE C[C@H](Br)CN(CCC(C)(C)C)c1ncc(I)cc1Br 2272337591 ASPAMOHIVJASJF-JTQLQIEISA-N 504.048 5.475 50 10 KKGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 2293701489 JSLCCATUTJEXQE-UHFFFAOYSA-N 503.628 6.032 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(I)c(C)c1 2295265917 WSZKQXONSIJMQE-CQSZACIVSA-N 530.425 6.508 50 10 KKGE COc1ccc(C=C(C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(Br)cc3)s2)c(OC)c1 2296731381 SMQNORLOXXNHRI-UHFFFAOYSA-N 546.446 6.906 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296790107 OYSIIEINLHQDSD-UHFFFAOYSA-N 533.616 5.150 50 10 KKGE N#CC(=Cc1ccc(OCC(=O)c2ccc(F)cc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297368649 UDKOMIZBQSVHMH-UHFFFAOYSA-N 508.530 6.381 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2297458590 HWZSVZPFZOZJGN-GOSISDBHSA-N 526.239 5.745 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521374 JNTCEJPJGWHGFG-UHFFFAOYSA-N 522.355 5.881 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568357 VCZVTPYVQFDTRT-UHFFFAOYSA-N 571.302 6.591 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 2314476268 LTTZTYCNLUGICD-PSWAGMNNSA-N 581.698 5.191 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592197 NQDMGFUUAQPVCA-VWLOTQADSA-N 568.482 6.466 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593752 SFCKOYRJQGCHES-RUZDIDTESA-N 502.039 5.700 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314610867 NJAUXADXVDCACZ-UHFFFAOYSA-N 577.084 7.020 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314611107 QRMFRHFRDKEOEU-UHFFFAOYSA-N 529.040 6.372 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314616985 OKMBKDJPVKDOPA-UHFFFAOYSA-N 524.580 6.120 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634882 ZEMDIEFLWODJKC-SSEXGKCCSA-N 510.590 6.101 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 2321721560 ISFWSBFCFKSZGH-LJQANCHMSA-N 502.011 5.025 50 10 KKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311425 FNVYOLQKRVUTKS-UHFFFAOYSA-N 518.381 6.867 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331457901 VFLXPAYKKUCPPQ-UHFFFAOYSA-N 505.470 8.883 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cnn(C)c1Br 2339677922 FMNAYFSUERTIQM-VIFPVBQESA-N 519.832 5.639 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2358459293 LACBGACAYHVMOA-CCBCZWRWSA-N 596.777 6.988 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c1Br 2362221355 ZDTZUQQJTPMISE-NSHDSACASA-N 570.703 7.904 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)Cc2ccc(Br)cc2)c1Br 2362223690 ILKOCPQJCFFWQA-SNVBAGLBSA-N 505.834 7.289 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)c1 29491712 STRCUHQSNWWRDF-ANYBSYGZSA-N 574.728 5.688 50 10 KKGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 33959384 PYNPNRNMHSPBSE-XLVZBRSZSA-N 524.415 5.047 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38606980 QDHPRRCFSRGICD-LPYMAVHISA-N 502.954 5.703 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38659660 JFOILOOSQAGEGD-ADXZGYQBSA-N 528.605 5.808 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38685468 SBMKDWFDIRGNMB-SSEXGKCCSA-N 504.586 6.846 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 38686835 ZMULNSCVXOSXHC-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813686 QJCHIIJNJXEIGZ-TURZUDJPSA-N 515.349 5.371 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815472 HTUWNBNAXOWBFR-YQCHCMBFSA-N 526.036 6.791 50 10 KKGE C[C@H](N)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@H]3CC[C@]12C 67828548 NRUFLTXGIPFVSH-KBVRNWHJSA-N 511.490 5.080 50 10 KKGE in-man CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 100186766 YLVSNUPBGDDPBZ-UHFFFAOYSA-N 542.499 5.440 50 10 KKGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100202552 FAECFFQPNRVVMA-UHFFFAOYSA-N 568.468 5.099 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 100206219 QMVMIWMBJLGTIN-UHFFFAOYSA-N 590.312 5.797 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 100233385 BUAHMFAYCJPUJH-DXTDMJPYSA-N 624.359 7.096 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241603 DUFAENSPMNGFDU-IVYNLYIOSA-N 534.003 6.211 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244527 DLNOPHDKHKJLSZ-UZEPBSNMSA-N 536.484 7.182 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246634 JVSXCPQHTOZJLS-GOHCDNDPSA-N 520.010 5.422 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101337748 HONODNCDNSUNJF-DYDGXOQUSA-N 625.128 8.125 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(F)cc1 101364306 BYXWEVSEQOIAST-KRWDZBQOSA-N 588.633 7.295 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 101368172 KQBCFRWDHQCOGK-GDLZYMKVSA-N 533.024 6.284 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 101378076 HWLZQSPGECMWHN-MUUNZHRXSA-N 517.025 7.127 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379299 YLMBAYXJYMIUGB-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389771 IMQLWABZNRXUCX-HKBQPEDESA-N 601.486 7.717 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101396978 IKCLANYWMMSKNY-MUUNZHRXSA-N 587.470 7.510 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2cccc3ccccc23)c1[N+](=O)[O-] 101479322 FZCXZXOVTDDTLN-UHFFFAOYSA-N 548.732 8.188 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1OC 101646912 IHBOJTVBVUAAEH-HAVVHWLPSA-N 532.662 7.105 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 101684876 RKWBIHJUXFPDBE-HKOYGPOVSA-N 550.611 5.822 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 102667333 MJVKEZNDDPTAJQ-SJUMRLIPSA-N 536.484 6.984 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(C)c1 103888311 VZSUXBCEDACSSE-XKZIYDEJSA-N 552.412 6.431 50 10 KKGE COc1cc([C@@H](Br)c2ccc(I)cc2)c(OC)cc1Br 134301184 NTULOIYNLKDEBZ-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 150422075 CEHVVUWNVCWFID-NRFCLKMUSA-N 627.306 6.540 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1ccccc1C 150622922 SOPIBIYUVQOXJO-GRSHGNNSSA-N 662.278 6.794 50 10 KKGE CCCC(CBr)(CCC)COc1c(I)cc(I)cc1I 155918182 KLDHORBTSXLRMV-UHFFFAOYSA-N 676.940 6.861 50 10 KKGE O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccc(SSc3ccc(N4C(=O)c5ccc(C(=O)Nc6ccccn6)cc5C4=O)cc3)cc1)C2=O 163973577 KXJOYLHJANBHDO-UHFFFAOYSA-N 748.802 7.382 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCC(O)COc1ccccc1P(=O)(c1ccccc1)c1ccccc1 196373759 QQDYMXUGKDHIHD-UHFFFAOYSA-N 644.644 5.784 50 10 KKGE COC(=O)C[C@H](O)C[C@H](O)/C=C\c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1 204903093 WCJUVVBQCXVFLK-ONOBIGQQSA-N 573.822 7.345 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205780597 NEXXZWKKAHIAGR-LUNPLWTBSA-N 648.741 5.253 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206695198 DONRWDSRWDWSLG-MFYXSQMNSA-N 553.615 5.983 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214351109 WURZCOQEPDABHM-ONUIUJJFSA-N 510.565 5.638 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214376475 YUAAAPDDIAHJAX-YUMHPJSZSA-N 573.609 5.947 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214393767 ALVXLTQTIYVYBV-MIXAMLLLSA-N 560.679 6.452 50 10 KKGE C/C(C=NNC(=O)CNc1ccc2ccccc2c1)=C/c1ccc(/C=C(\C)C=NNC(=O)CNc2ccc3ccccc3c2)cc1 254344402 WVJVLISWSYZUSQ-YATMHKAHSA-N 608.746 7.228 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2OCC)cc1 254367990 XFSNEMLWTDZTML-UHFFFAOYSA-N 538.600 5.899 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2C2CCCCC2)cc1 254450068 KHBCWCXPEVLLHP-UHFFFAOYSA-N 533.701 7.308 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2C2CCCCC2)cc1 254712262 AFNBJXILNRQJDZ-UHFFFAOYSA-N 501.578 6.020 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C/C(Br)=C/c3ccccc3)cc2)cc1 254734281 AZCUMIYRMTVHGH-CQXLTOIFSA-N 528.428 5.038 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025206 RPSDMMBNHUZTKP-FQBNXOKDSA-N 602.536 9.320 50 10 KKGE CCCC(CBr)(CCC)COc1c(I)cc(Cl)cc1I 383634385 JPZSARRYZFAJQS-UHFFFAOYSA-N 585.489 6.910 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2CC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616594120 OBYZMOFZCJSOAD-NDEPHWFRSA-N 511.899 8.724 50 10 KKGE O=C(c1csc(C(F)(F)F)n1)N1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238638 ONTPDYIURYEQHB-IBGZPJMESA-N 625.016 5.540 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 725391102 JYUJJTNRLZIJGG-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083817539 MHNHIGWCUNOEFZ-MRRLEEDCSA-N 578.822 7.136 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cccc(Br)c1 1083891080 QMFHITQBIYOOFC-UHFFFAOYSA-N 541.755 5.618 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1083906166 IEIBPNJCNMDJER-UHFFFAOYSA-N 612.535 6.235 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 1083960987 QAZYYQZUHHROPH-UHFFFAOYSA-N 657.148 6.514 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1084012750 ZSYDCXLYXPSMIF-HMMYKYKNSA-N 563.466 8.006 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084075138 YSROGBMEEJTELX-UHFFFAOYSA-N 652.169 5.989 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc([N+](=O)[O-])cc4)c3C)sc3c2CCCC3)cc1 1084182375 CAERLLDISDHPRC-UHFFFAOYSA-N 555.660 6.267 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084187565 JBXYEDAJWNGOOQ-HYARGMPZSA-N 570.904 6.880 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 1084565598 MOAWQPHXLUFREB-UHFFFAOYSA-N 549.852 7.024 50 10 KKGE C[C@H](CO)[C@@H]1CC[C@@H]2/C(=C\[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 1848438785 VGPRIHGJOIJOMO-MMNLDTNFSA-N 508.841 6.426 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Br)cc1 1865691201 MJAPJTSMMCFPBS-VWLOTQADSA-N 555.432 6.093 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865691475 SRPFEVJGKHLGTR-QFIPXVFZSA-N 546.977 6.730 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OCC 1865691561 VMBKWPMDLDEHRZ-SANMLTNESA-N 521.061 6.664 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cc(Br)ccc1O 1865697263 YTHOXFXWUNGEDX-QFIPXVFZSA-N 517.358 5.424 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865697428 SGXNLQPDFFGXKI-JOCHJYFZSA-N 553.457 5.603 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701429 VNKPLLWJEIGUOP-QHCPKHFHSA-N 514.969 5.437 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865703342 UKPUPKVCOIDAOP-AREMUKBSSA-N 527.024 6.267 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703830 GOOPMTBQVQEFTO-MUUNZHRXSA-N 575.496 6.915 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704249 RDFCKMCTBCOTIX-QFIPXVFZSA-N 543.377 5.227 50 10 KKGE CC[C@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128844 UKJFYRPEQLVRGZ-KBMIEXCESA-N 584.511 6.420 50 10 KKGE COc1ccc(CCN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccs5)cs4)cc3C2=O)cc1 1872750786 RAVQRBNJGIPCBR-FLFQWRMESA-N 513.600 5.669 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1csc(Br)c1Br 1923037245 BZVYQZYFWLUUQZ-RXMQYKEDSA-N 564.771 7.841 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1Br 1924039575 KZBPTANZPFQFIL-CLAHSXSESA-N 512.865 6.609 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 1924605197 NTXYCZLLPXXVND-UNGCPHIMSA-N 509.883 6.039 50 10 KKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2002402269 OPNKAKPRMBESSL-XVMARJQXSA-N 511.899 6.287 50 10 KKGE CC[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004479619 RHQSECFVYGBHKW-UJURSFKZSA-N 519.869 7.153 50 10 KKGE C[C@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2017755367 NOGLOSGIZMPQTD-WNZHACADSA-N 509.883 6.039 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2I)c(C)n1-c1cc(Cl)cc(Cl)c1 2053623081 DAVQHRLXZAPXKM-UHFFFAOYSA-N 536.200 6.551 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1Br)c1ccc(Br)cc1 2092261671 SGOGKSDHUYVKBH-GFCCVEGCSA-N 511.877 6.695 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1Br)c1cccc(Br)c1 2092262185 XKRVDBYHLGQDCY-GFCCVEGCSA-N 511.877 6.695 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCOC[C@@H]1C2 2141471701 VDUJBUOZDZVIOT-HZZNHICKSA-N 538.299 6.443 50 10 KKGE ClCc1nc2cccnc2n1-c1cc(Br)c(I)c(Br)c1 2151779391 VBZYHIOGLFTOQY-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE FC(F)(F)[C@@H]1CN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2186711671 QXPNQGPQCLSVCE-INIZCTEOSA-N 526.622 6.251 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Br)c2Cl)c1Br 2201082017 MAVTYHHMUBNTCO-CQSZACIVSA-N 546.322 7.729 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(C)c1I 2202997596 AGTBMSDOCWKFIH-ZDUSSCGKSA-N 530.425 6.508 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 2206397077 DTDSOAYGNKPLDJ-PFAVVVPUSA-N 592.789 7.465 50 10 KKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(Br)cc1I 2207264246 CPTBXQABKLLUJP-OAHLLOKOSA-N 515.027 5.079 50 10 KKGE CC(C)CN1C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2222447042 CFAYIBYNIHZTNM-HTQZYQBOSA-N 524.942 5.854 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C 2223376681 GCQULHSYXBYWLW-SFHVURJKSA-N 502.220 5.961 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Br)c1 2223964870 ZZOIAAHBYSRURQ-LLVKDONJSA-N 519.878 6.529 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1OC[C@H]2CCC[C@@H]21 2233195266 WXCPCNKYMXBMLH-GYPIZSBISA-N 552.326 6.832 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1Br 2233974878 HOMGHZQKHCKTMJ-CQSZACIVSA-N 531.839 6.606 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(Br)cc1Br 2258112439 SMUZQTZVOYIWBZ-NSHDSACASA-N 521.869 6.967 50 10 KKGE O=C(Cc1cc(Br)cc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 2263485677 OSBHDWOJBNKCPF-UHFFFAOYSA-N 530.098 6.101 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(F)c(Br)cc2Cl)c1Br 2267750014 QEEPBFSWUBPWDD-JTQLQIEISA-N 511.863 7.465 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)oc1Br 2272842799 QWKJXJOOAUOBEE-SECBINFHSA-N 523.791 6.638 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2285946044 OJCZKNPVPVKZGE-ZDUSSCGKSA-N 503.456 7.427 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2295838610 OMKJVAPHWFIHBD-UHFFFAOYSA-N 549.030 6.384 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2296506987 OFIALDMDUKNJGY-VWLOTQADSA-N 546.048 5.890 50 10 KKGE CC(C)COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296798345 FPXXTSKEQDYMPU-UHFFFAOYSA-N 550.434 6.468 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 2297551383 HAUXSLGBIGIDFM-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1C#N 2313556932 OTIZCTCXLAAVNC-UHFFFAOYSA-N 555.432 5.656 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313570612 BDCUHTBYTIESPY-UHFFFAOYSA-N 541.572 7.123 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 2313681204 SXSWADYAAARHTL-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314490067 XPYZTRMNXYJYFW-UHFFFAOYSA-N 580.803 7.565 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618353 LUNFCANRPYCXQH-OAQYLSRUSA-N 559.582 5.810 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663716 BJMOJQIFWCQULN-UHFFFAOYSA-N 509.425 6.517 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232470 PFUXYXUFTSFSAC-UHFFFAOYSA-N 500.536 5.597 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 2331295794 FDJBZJMEOIEYEP-UHFFFAOYSA-N 511.990 6.252 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc(Br)c1O 2331471018 FWQCOXXXXFGSEO-UHFFFAOYSA-N 521.820 6.412 50 10 KKGE CC(C)(C)N1C[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349850816 GZHQNISUCIZLQL-DGCLKSJQSA-N 501.044 5.090 50 10 KKGE Clc1nccc(OCc2ccc(I)c(Br)c2)c1CBr 2350058051 MBBHGCWVCSDFBQ-UHFFFAOYSA-N 517.386 5.576 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361198183 NUOLWZJNZLOTGZ-QHCPKHFHSA-N 553.132 8.398 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1I 2365596542 WIMKNECAEZSPDS-NSHDSACASA-N 601.248 7.232 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 2076815 AEZPWELMVVEUDC-UXHLAJHPSA-N 501.583 5.361 50 10 KKGE Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@@H]4CC=C[C@@H]34)cc2)c(Br)c1 12565965 FPVBOIBRAJSZDR-PYFBACGESA-N 504.222 5.781 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(C)cc1 35073992 LMPCYUDVXPTLOP-NVMNQCDNSA-N 512.349 6.343 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 38606471 FXQKVQXKHPBGBW-YZSQISJMSA-N 508.622 5.483 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38649906 FSZXAPMGTDVTMJ-DEOSSOPVSA-N 503.942 5.983 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c(OC)c1 38657218 ZHJDRFUJXSLFCS-PMERELPUSA-N 518.569 5.659 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38660135 WQVJJLPVDVAEJP-GDLZYMKVSA-N 528.605 5.694 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38681321 QGYPPFOJUCDMHU-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 40971399 CTPUGDRPYZISQO-RELWKKBWSA-N 509.027 6.020 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1OC(C)C 97914665 LCMWICSJFBCOMT-MHZLTWQESA-N 505.099 5.930 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100154500 MGDKIVICXNVOBP-UHFFFAOYSA-N 588.774 6.535 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(OCCOc4ccccc4)c3)cc2)cc1 100162723 LHVWXFOQNHMDBX-UHFFFAOYSA-N 610.736 5.644 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 100237091 ZRCCIYIAHFRFCB-OXCCTMSTSA-N 551.470 7.088 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 101115315 MDQOOOQKEITBEX-SDXDJHTJSA-N 543.421 6.092 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193642 JWQBOFYMPCSLIJ-VZUCSPMQSA-N 552.780 8.202 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243354 XLFGTVSIYAAAJE-JWMWCLFZSA-N 564.538 7.420 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 101335671 KLJUSAJIYREJFX-OGLMXYFKSA-N 538.648 5.511 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1OC 101339375 VVYWKQJLJGUCNN-ZMOGYAJESA-N 607.490 6.433 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101367757 RWWZSCXCARCYGN-JGCGQSQUSA-N 534.612 6.394 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381198 MXFKPHDGUCPATD-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386775 DOMVBRGFLMTKTG-KKIUXKEOSA-N 584.575 6.143 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)c1 101396547 DMFHGCHRSXNOMI-GDLZYMKVSA-N 595.523 8.179 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 101396585 PDCIVGBLNLJYQC-PMERELPUSA-N 536.628 7.364 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(C)cc2)c1[N+](=O)[O-] 101479291 DRLYTBUYMLUNFF-UHFFFAOYSA-N 512.699 7.343 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 102133786 IXRJDIPMMLURCD-ITYLOYPMSA-N 545.079 7.708 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1 102609535 VJKAXCXEOJSMOE-GNFMVLDJSA-N 552.026 7.619 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 102666189 OFIALDMDUKNJGY-ZDDKYUFNSA-N 546.048 5.890 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C(=O)OCC)c1C 102924569 DEAKPPSIJSIPCY-FOWTUZBSSA-N 535.603 5.616 50 10 KKGE C#CCOc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Br 103737187 AQSXGGGYKNRDCE-YOIUXKKVSA-N 599.141 5.650 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743177 UGBRJCMTWCPRPX-ABPPERTMSA-N 522.457 6.045 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 103744069 ZKLOYYVNQVOZJT-FMIFUCRQSA-N 600.488 6.360 50 10 KKGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103797049 VMYLSOYCXYIPPR-HNSNBQBZSA-N 560.050 6.211 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 150411044 SXUQJUFSFJNSCH-YGUAJQJCSA-N 731.230 6.697 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 150478061 WEEGHUPMNJKTOL-WJOKGBTCSA-N 649.958 8.842 50 10 KKGE CCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCCCCCCCCC)C(=O)OC(=O)CCCCCCCCCCCCCCCCC 165330616 AFCVXBAMZJJJIF-OIVUAWODSA-N 803.439 19.457 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778052 HVJQOUCDOFRZLQ-NYRFQVNLSA-N 632.742 5.635 50 10 KKGE COc1ccc(CC(=O)N[C@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)C(=O)NCc2ccccc2)cc1 211017587 LERDNUHEBDLPLP-MUUNZHRXSA-N 532.757 5.666 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214296984 OFFKEUSBLQCGKQ-VEILYXNESA-N 552.675 5.901 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214326316 QUJYVZDKNXVJGQ-MNRBYUMSSA-N 588.639 6.029 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cc(Br)sc3Br)c1)OCC2 232482317 AIRRDWGBZSPLRI-LLVKDONJSA-N 531.889 6.455 50 10 KKGE CC[C@@H](Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 252626241 QYXUEKMUXCAYNU-JOCHJYFZSA-N 545.275 6.131 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)O[C@H](c2cccnc2)P(=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@H]2C)cc1 254521410 JBWIQTGKLBLKDA-ARAHPTSQSA-N 650.797 9.387 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 254735970 ARNJCKDJQYHZMC-UHFFFAOYSA-N 529.625 6.525 50 10 KKGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2cccc(OCc3cccc4ccccc34)c2)s1 254812748 WEQLTQJOCJEISK-UHFFFAOYSA-N 535.629 5.524 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(F)cc4)S(=O)(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 254903287 UFQJHSFKKTWZMG-WIAUUWKYSA-N 652.748 6.175 50 10 KKGE CCC(CC)(CBr)COc1c(I)cc(Cl)cc1I 310763986 ZUSZHDKTQNMZLT-UHFFFAOYSA-N 557.435 6.129 50 10 KKGE Fc1cc2c(cc1Br)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390512265 ZVBVXQFHJZYEKF-UHFFFAOYSA-N 514.870 6.812 50 10 KKGE COC1=C(c2c(OC)cccc2P(c2ccco2)c2ccco2)C(P(c2ccco2)c2ccco2)=C[CH-][CH-]1 642772123 MOPIJRUITUTQTQ-UHFFFAOYSA-N 542.464 5.622 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1Cl 705462169 DPUWEYKZYHIIJR-SNVBAGLBSA-N 509.872 7.073 50 10 KKGE CN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238040 CDIMIWICHSOAFA-SANMLTNESA-N 552.071 6.834 50 10 KKGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 725445090 DNYDEUPGMNNCBA-UHFFFAOYSA-N 663.967 5.406 50 10 KKGE CCO[C@H]1[C@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(\C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 1078362838 IKFKEJSONUWRCD-ALSNZTAGSA-N 590.713 5.722 50 10 KKGE CCOc1cccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 1083988479 FRELJQDFRVGFCZ-UHFFFAOYSA-N 502.634 6.300 50 10 KKGE Cc1c(Br)c(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1 1084004172 BUTJYXABMRGISK-UHFFFAOYSA-N 535.305 6.003 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)c(I)c1 1084017490 VFZJAGFYCLJNED-QFIPXVFZSA-N 548.808 5.488 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1Br 1084369079 DOPHKTICLDUNFO-QHCPKHFHSA-N 526.818 5.517 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084400599 UTULSMLUGQPBPS-UHFFFAOYSA-N 509.389 6.820 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 1084444540 QKBVSKMKYLXIDQ-HSZRJFAPSA-N 590.312 6.153 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084591186 GQDAOMFLNJVTBO-UHFFFAOYSA-N 522.001 5.706 50 10 KKGE CN(/N=C1/c2ccc(F)cc2C[C@H]1N(C)C(=O)c1ccc(F)cc1)C(=O)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 1614015119 BDLQXOMZHAZHAR-ROKCCPTBSA-N 735.588 7.954 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653286 NDKRRIMDKUBSAI-NSJGXVBTSA-N 511.647 5.616 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1772755178 SEUFSTZCPQAFJP-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Cl)cc1Cl 1772760371 GYMQMHSJBGIANI-UHFFFAOYSA-N 532.474 6.433 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 1848434252 SPHUIJWPZSWHEE-LVNXIOLGSA-N 510.923 10.671 50 10 KKGE CCCCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665462 KCEQSXCXMOAMQF-BJBPIMJRSA-N 561.335 10.908 50 10 KKGE CCCOc1ccc(C(=O)N/N=C\c2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] 1860773540 AANGKYSSVUSVJU-NCAUGAEKSA-N 511.888 5.591 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865687736 ZDBMZVWWPAXQKN-PMERELPUSA-N 575.068 7.058 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689028 IEOKXQLXKKYVGD-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865689503 AVOGARPAPMFCRT-HXUWFJFHSA-N 502.924 6.001 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695484 DHLITZAEMTVXRZ-VWLOTQADSA-N 541.479 6.927 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703464 WABZZHYIGFXQPE-HKBQPEDESA-N 554.650 6.962 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714099 CKNMVBCLIIXFJN-QFIPXVFZSA-N 515.913 5.033 50 10 KKGE C[C@H](Cl)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865893227 XWVRXMWQARJDEI-GXSJLCMTSA-N 508.616 5.251 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)cc1 1872752381 ZSAMPCDYBVMMBJ-BZZOAKBMSA-N 511.534 5.704 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1Br 1876918066 AZEJXZGMPWNKGE-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(F)cccc2Br)c1Br 1922896259 CWUCWBAVLKGHSB-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Cl)ccc1I 1924040238 OSEAAKABPIYUFG-RTHLEPHNSA-N 515.414 6.342 50 10 KKGE COc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924582753 ADMGZRDTFQIHKD-ZCFIWIBFSA-N 525.907 6.590 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2COc3ccccc32)c1Br 1924596189 KJFBLERKIXPUQL-XVKPBYJWSA-N 531.889 6.648 50 10 KKGE Cl[C@@H](c1cc(Br)cs1)c1c(Br)sc(Br)c1Br 1981402624 YWKZNAPPOWDPBW-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23CC(CCO2)C3)c1Br 2019895624 QNSXTLBQWUVBRB-QHCBANEHSA-N 509.883 6.041 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(I)sn2)c1Br 2024291322 ZDYZDBMOFDSRRV-NSHDSACASA-N 551.867 6.065 50 10 KKGE CCOC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085494893 OALKBSCVYGDJIL-LLVKDONJSA-N 570.739 6.742 50 10 KKGE Cc1nc(C[C@H](Br)c2ccc(I)c(Br)c2)sc1C 2085800452 OGRTUBCVXWBFOE-JTQLQIEISA-N 501.025 5.806 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC2(CC2)C1 2141467961 FIIPAKDGIFOOSH-UHLUBPPHSA-N 536.327 7.597 50 10 KKGE Clc1cc(Br)c(OCc2ccc(Br)cc2Br)c(CBr)c1 2148684795 IEPIPSYFEQDIQL-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2150494645 RTXDNLMWJALJON-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2202998882 FIMCFBSLSANMAC-ZDUSSCGKSA-N 548.294 7.120 50 10 KKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398160 RNJGDVJQTBRHMT-DNSOKLHBSA-N 598.793 7.378 50 10 KKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)c(I)c1 2207274889 GSEXGHCYCRHJAN-HNNXBMFYSA-N 572.860 6.235 50 10 KKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1c(Br)sc(Br)c1Br 2211991260 VYHQMGVUXVNWRM-QUBYGPBYSA-N 516.318 6.879 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nscc2Br)c(C)c1Br 2220157673 RWDZVNSMUZGGBX-LLVKDONJSA-N 518.894 6.532 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c(C)c1Br 2227351535 MYSAFADDYCUCNG-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288485449 WWJSMRMOXOMGQU-GFCCVEGCSA-N 540.342 6.562 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293198271 OWPOGTADXYYOTO-OAQYLSRUSA-N 577.287 6.092 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2293198290 QZFNRQYYTCSLSI-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2293716048 MGFXJHOWZJEFNO-UHFFFAOYSA-N 582.911 6.226 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2296506965 NLDGPVGMFYDRPS-XMMPIXPASA-N 532.021 5.582 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2296507053 QTWRBLUEGFJDEU-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2296642496 SZYHYHXZJFIESH-JOCHJYFZSA-N 546.838 6.851 50 10 KKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCc1ccccc1 2296648409 XIXSMCJVHMKJIF-UHFFFAOYSA-N 526.394 5.740 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2297304159 MYYLTCZHSZJGHS-UHFFFAOYSA-N 505.987 5.554 50 10 KKGE Cc1scc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 2303643989 LZYVTFVEWLGDKI-QMMMGPOBSA-N 544.353 7.496 50 10 KKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc32)c1 2313631867 XPZSUIDGGNAFBB-UHFFFAOYSA-N 504.373 6.329 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=Cc3cc([N+](=O)[O-])ccc3OCC(=O)Nc3nccs3)n2)cc1 2314489070 NNTQKDKLWTVFMH-UHFFFAOYSA-N 503.565 5.565 50 10 KKGE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 2314490358 XOOFVPJKRYSYKW-UHFFFAOYSA-N 567.158 5.270 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591943 IEPUGSICZXTMNH-AREMUKBSSA-N 516.066 6.837 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314594117 ZIEKMOCFRPCMNC-FQRUVTKNSA-N 516.066 6.261 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314619543 AWAOFIBMJOYYQG-UHFFFAOYSA-N 596.684 5.136 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314620948 WWCRUBZUNPVSCO-UHFFFAOYSA-N 552.631 5.038 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 2314640622 DIHQKSHUAKSQIE-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 2314646852 RILAZBOXHAPJSQ-SFHVURJKSA-N 583.449 5.179 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 2314772732 RAJNSPRTFXHSNA-UHFFFAOYSA-N 554.868 7.592 50 10 KKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)c(F)cc1Br 2316600111 AVMQMLUXTOLJCJ-SNVBAGLBSA-N 528.381 6.531 50 10 KKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319796373 ARFDNUYRIBPYSA-DQUAYNECSA-N 523.910 6.429 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2331473047 OFPXUKVTKSCYRQ-UHFFFAOYSA-N 503.668 6.527 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2333303613 MAVGQFCSGXSSPT-FITKCZHHSA-N 538.299 6.442 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Cl 2351641195 PVRQOFZLXOECTJ-FQEVSTJZSA-N 519.035 7.958 50 10 KKGE Brc1cc(CN2C[C@H](Br)C[C@@H]3CCCC[C@@H]32)ccc1I 2377317645 PXXLXGQWSACWIC-ZENOOKHLSA-N 513.055 5.582 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1)Cc1ccc(I)c(Br)c1 2377353161 NWITUTBGFNGMFF-CYBMUJFWSA-N 572.904 6.613 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 3116439 DNUOOIXNUGCQFV-ATZGPIRCSA-N 599.953 7.565 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc2c1CC[C@H](C)C2 6167552 WRTLDSCJJQHDLD-QWVNQVIDSA-N 577.703 5.618 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1Cl 32520657 ZOLFPMSQGQNLFW-KKMKTNMSSA-N 515.422 5.700 50 10 KKGE C/C(=N\NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc(Br)cc1 33303655 IUOIXSSXYRUAOL-FSJBWODESA-N 510.617 5.264 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33345079 OOSSSSWZIRDUMT-RGEXLXHISA-N 513.531 6.306 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38650806 KDXKQCHTUYTFJK-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 38686673 AUUGVKVURQBRGC-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCc1ccccc1 40947702 WKAVOCXIUZFONW-WPWMEQJKSA-N 504.637 5.078 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 58986628 NGMJFWWPDUBUMW-LQKURTRISA-N 500.824 6.024 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc(Br)ccc3OCCc3ccccc3)cc2)c1 100206108 SNNKYKMLTAHICX-UHFFFAOYSA-N 572.459 5.706 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OCC)cc3)C2=O)cc1 101246722 CUPPXKCBPKTRHG-DNWDVRSHSA-N 555.700 6.501 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101334160 SGLZOTWJDHWYDQ-TTXZLZEXSA-N 525.565 5.237 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 101368106 QKTRAIPOKBNBSX-WJOKGBTCSA-N 542.632 6.084 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc(OC)c1OC 101369305 UGOFNXOPTAOWEJ-GDLZYMKVSA-N 550.567 5.942 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369454 VUSDNBYVUBPKEW-YTTGMZPUSA-N 532.596 6.805 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1F 101389198 CWISVKOGSIGXDY-SSEXGKCCSA-N 581.556 6.149 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396771 YESAMZCFFHTDGY-RUZDIDTESA-N 565.478 7.824 50 10 KKGE Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 101647254 FVGNCRZTJHPFFC-FSRJSHLRSA-N 568.899 6.155 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCC(=O)c1ccccc1 102924074 LGSFAPXSIHRMML-YBFXNURJSA-N 521.425 7.451 50 10 KKGE O=C(COc1ccccc1Br)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 105622493 NONVNJSXAYQPDY-WYMPLXKRSA-N 543.424 5.647 50 10 KKGE O=C1OC(c2ccccc2)=N/C1=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 107660364 MGUHFWUOXUODDW-MVJHLKBCSA-N 510.553 6.353 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1Br 148962294 JOBFATHPVYUEMJ-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 150428640 YITPSIVDHYNJFN-HQYUJTHISA-N 682.309 5.904 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432964 BRQPZUZTXVXSHU-AREMUKBSSA-N 789.710 10.441 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462720 HYBOXWCXONZOPG-PGUFJCEWSA-N 633.531 8.528 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 164611218 BHSGXSJUGUVPRB-ZSNJKBEMSA-N 638.518 7.265 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(I)c2)cc1 164639542 CYKFJOAVYATSLH-FJEPWZHXSA-N 658.290 6.047 50 10 KKGE BrCc1cccc(-c2cc(-c3cccc(CBr)c3)cc(-c3cccc(CBr)c3)c2)c1 196804677 ZQXNALYSMCSAOV-UHFFFAOYSA-N 585.177 9.372 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205660719 GRPBHYGAEPDBCG-GHBMYPADSA-N 536.672 7.390 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206505248 PGLCNTZUARCJMN-QRWQTSMQSA-N 558.631 6.098 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214305478 ZUDQLHFTBPTJCI-FIOJILPZSA-N 536.632 5.270 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 217228435 HUWPCBKJJHZGDJ-QOCHGBHMSA-N 501.974 5.001 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1cc(C(F)(F)F)ccc1Cl 252623645 OWCRWIDLEMGHDB-UHFFFAOYSA-N 574.408 5.508 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253576966 WMOUHSHBZRGFHW-RUZDIDTESA-N 552.748 6.295 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCc1ccc(C)cc1 254852747 MSFBMZNHXNYHSV-UHFFFAOYSA-N 538.629 5.171 50 10 KKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1OC 254869429 IWAHTVOSUCAOKV-RABBCQDWSA-N 558.638 5.628 50 10 KKGE C[C@H](CCc1ccc(O)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 503904035 XGMOSUNKDJMMOP-IIZRLQMASA-N 611.899 9.263 50 10 KKGE in-vitro C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C[C@H](Cl)[C@@]43C)[C@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 504672145 MKZGQDFQXQLWNU-GPEIIVFLSA-N 564.998 7.017 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4cnc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586124 NSNBXSIELVIXGV-VLEUISKASA-N 954.195 10.396 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616589961 QCJSYZSJARHGIB-VIMWANRLSA-N 620.903 8.306 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1scc(Br)c1Br 705411597 YSRZTQXYBBGWKZ-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(OC)c1Br 705466859 VYCHGFCGNMOIJZ-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc4ccccc4nc3Cl)cc2)S(C)(=O)=O)cc1C 725434661 YWTDXCZDOREBDG-UHFFFAOYSA-N 521.042 5.235 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl 1083948424 LFXUPLYNFLKNMH-UHFFFAOYSA-N 541.218 5.977 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 1083949343 SVOJHDXMWOQROD-UHFFFAOYSA-N 530.584 6.704 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 1083986871 GBZHGZNSWYWTKI-DEOSSOPVSA-N 531.436 5.944 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084047176 LXACJDPYVIFKLM-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1084156950 RKPNAJQAWPWEBE-VWLOTQADSA-N 555.469 5.708 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)N1CCN(c2ccccc2)CC1 1084174468 OMXWTRNXRDGGDK-LFVJCYFKSA-N 527.422 5.156 50 10 KKGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1Cl 1084218709 WGFLBHSBFJVYBP-UHFFFAOYSA-N 502.785 5.401 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084375820 CERWTVGRFFVTCH-NTUHNPAUSA-N 528.186 5.252 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1 1084396192 SASIOVVRPHHGHY-UHFFFAOYSA-N 507.359 6.406 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)c1 1084490982 ALTVYTDGOGJTMA-UHFFFAOYSA-N 542.705 5.750 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653095 AZAZRLJPJOVCAZ-ZNTQCNGWSA-N 550.511 6.859 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865691544 VFCPZINCXUYHIX-NRFANRHFSA-N 532.950 6.009 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865692227 DCTMVTFCQWQDSB-XMMPIXPASA-N 530.987 6.016 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693598 XBYLCJBYQJROHK-AREMUKBSSA-N 538.604 5.159 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704549 YLKWHKGBEYJWFZ-QHCPKHFHSA-N 512.953 5.177 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706072 MVHJVCWMCXDDGC-NRFANRHFSA-N 514.339 5.428 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708400 WDPPOIACHQJYGC-RUZDIDTESA-N 528.996 5.496 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867213066 MEBOVWDSDBGNNE-DQEYMECFSA-N 567.708 5.815 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868342358 SVZWDZAWLWUUQD-UHFFFAOYSA-N 507.107 6.109 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)[C@H](c2ccccc2)c2ccccc21 1868433726 QGROJSNMTCYTGD-JGCGQSQUSA-N 574.153 9.001 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1OC 1868434044 VUOBYIOJIPWZTA-ILBGXUMGSA-N 574.106 6.833 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)c1 1868545122 RROFGRBKDCADDM-UHFFFAOYSA-N 578.786 7.131 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749575 XVRQMUXDRDIBEJ-JXAWBTAJSA-N 501.307 5.114 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 1872754227 JAPWMAIICARSEW-HBTZSIKTSA-N 500.363 5.603 50 10 KKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872781441 HFAYUGFQFHLQOO-HYARGMPZSA-N 525.512 8.167 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)c(C)cc1Br 1915077268 HNKFIWYCMMFREL-OAHLLOKOSA-N 554.142 5.884 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)cc2I)c1Br 1922884714 GADSUNILFABQHC-JTQLQIEISA-N 568.869 6.810 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cscc2Br)c1Br 1922894828 OREONIHPVITBLY-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1csc(Br)c1Br 1937734562 LPQRAZULKAFZFS-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995286459 UBYLRWBYIPTTBB-AWEZNQCLSA-N 551.060 5.870 50 10 KKGE N#CC(=CNc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 2041576641 VEQZZORUHDQAIJ-UHFFFAOYSA-N 530.380 6.809 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])c(Br)c1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053612425 HDMSDQGTDSKRGN-VZUYHUTRSA-N 654.509 7.615 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2I)c(C)n1-c1cccc(Cl)c1 2053623314 RAWKLEPSVZLDDR-UHFFFAOYSA-N 501.755 5.898 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1Br 2063519183 BONSRSWCHJJSEC-MHYGZLNHSA-N 521.938 7.298 50 10 KKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2123208259 CYGDPANBUPVMIN-CYBMUJFWSA-N 519.280 5.951 50 10 KKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(Cl)c1Cl 2138627931 NQGJYHWENOHLKX-QMMMGPOBSA-N 509.872 7.073 50 10 KKGE CC1(C)C[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468030 FZAVWTONMMMEEV-LDWIPMOCSA-N 584.766 6.988 50 10 KKGE CC12COC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141472291 BVQCQEAWKCNUNO-PNESKVBLSA-N 538.299 6.586 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cccc(Br)c2Br)c1Br 2148748860 FYWYSGHWNRWFHI-VIFPVBQESA-N 557.849 7.539 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206400164 PXGIHGNJYFZDFP-SNVBAGLBSA-N 631.609 8.528 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2218596452 FCFNBKMXZWQMCE-LLVKDONJSA-N 505.805 5.331 50 10 KKGE CCc1cc([C@@H](Br)c2cc(Br)c(Br)s2)sc1Br 2248049488 SUOOZRANXQIQRZ-SECBINFHSA-N 523.935 7.144 50 10 KKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1I 2268318983 ZVKHSBFARQLLCR-LLVKDONJSA-N 534.844 7.039 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Br)cc1I 2269555546 XFFJABNQGNCYTM-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE Cc1cccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1I 2277956444 OQZQWZIPMMBKHC-AWEZNQCLSA-N 514.426 6.647 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)cc(Cl)c1OCCOc1ccc(Cl)cc1 2293692883 ZZVPHBLUFZJYPW-UHFFFAOYSA-N 501.797 6.959 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2295421911 SXHRDQVSYWMCIW-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1COc1ccc(C(C)C)cc1 2295685292 JGYBBLPGYCACEB-UHFFFAOYSA-N 542.661 5.887 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 2296647866 REIQMMPIIMCTFD-UHFFFAOYSA-N 578.091 8.038 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3Cl)nc12 2296721780 UBRBARFDVFZBDC-UHFFFAOYSA-N 512.374 5.440 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OCCOC)c1C 2296790201 WETWZLCQGIUJQR-UHFFFAOYSA-N 532.043 5.790 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 2297487645 FPPZGXODRBKBGF-UHFFFAOYSA-N 548.039 7.338 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521263 AOEBOLQBFHGMSO-UHFFFAOYSA-N 510.300 5.917 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314611717 ZHQGXCBTCYFMCA-UHFFFAOYSA-N 594.646 7.050 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 2314617360 WTQJNTDIWAJTLC-UHFFFAOYSA-N 586.648 6.158 50 10 KKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618784 UHXXLBWXZCHLHS-IBGZPJMESA-N 547.438 6.934 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634699 BCFOMWYCYOTDTN-JGCGQSQUSA-N 536.672 7.390 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331256098 VAMLMQDUCJFBAK-LJQANCHMSA-N 508.043 6.660 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)c(OC)cc1Cl 2331377003 VNDBXMXYLMYJRP-UHFFFAOYSA-N 514.987 6.013 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331396302 JWPNLNAJDZSMKK-RUZDIDTESA-N 513.663 6.920 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331489102 ZBCORVCQDARIGV-UHFFFAOYSA-N 513.449 8.913 50 10 KKGE CC1(C)COC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336200712 NEIWIUUVSLSHFJ-QTTZVWFDSA-N 540.315 6.689 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337088093 HVVKWVQWFCPVDA-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)CO2)c1Br 2338786264 ZYUONXCCNQLEED-POYBYMJQSA-N 539.909 5.810 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1Br 2362234508 HIJABEPSMDNOAV-LBPRGKRZSA-N 617.703 7.699 50 10 KKGE C[C@@H]1CC2CC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368125121 FVLRHCKSVRXGHS-XXNGCHEGSA-N 552.326 6.974 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ccc(I)c(Br)c1 2377333692 ZNFIBTSSARASHK-CYBMUJFWSA-N 572.904 6.613 50 10 KKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377338636 YCPMGELBPXXSEZ-QGZVFWFLSA-N 512.067 6.722 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 29491631 FOUXHSJZZXJPEO-PLRJNAJWSA-N 607.114 6.715 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1C 34765034 NZVJUFGJHRFHSG-UCQKPKSFSA-N 501.583 5.027 50 10 KKGE C[C@H]([C@H]1CCC[C@H]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C 60291187 VSPUBGCATGQRGJ-UKDVSSAZSA-N 562.559 9.793 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(C)cc1 96936248 MUPNSLVPZRYSBU-JAIQZWGSSA-N 513.229 7.172 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100232048 RUFFCYVSVZAUME-DQSWQQFISA-N 580.306 6.698 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 100238406 LXNLWRMXMNXPOW-TVQDKGLESA-N 585.528 7.062 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1 100336258 XFUJSWOOOUAAPX-WQRHYEAKSA-N 544.776 6.078 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 101115670 QESXCPIFMGOQMH-QINSGFPZSA-N 525.779 6.301 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243706 MXLHXIRGDYJAJN-YANFJXFDSA-N 551.590 6.018 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 101246865 KKATYGKZKIBIFR-OMBWOSJFSA-N 552.483 6.684 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 101304878 QCSUVIFERIGCBT-XOTBCMANSA-N 534.616 5.184 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101339466 AXXOXVJZQWRWGO-KEIPNQJHSA-N 604.710 7.528 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C2=O)cc1 101339857 PVKAJGRBFJNJDS-WPWMEQJKSA-N 500.558 5.340 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101368053 DTHDLEIGJWUQHR-XBBWARJSSA-N 546.595 5.994 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCCC(C)C 101368329 UCRLVWXMMCSZHL-LJAQVGFWSA-N 549.023 5.976 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101368429 VKOMFDSKDXSZDB-JGCGQSQUSA-N 556.659 6.446 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1OC 101375434 NNBJORIIQDTHJM-UMSFTDKQSA-N 598.740 8.051 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 101378802 CEYGSJPKXYSYNI-UMSFTDKQSA-N 574.677 7.074 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383156 KAPSTCUWYFNYEF-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387062 SVDULXIJCACVCY-NDTAFNIQSA-N 562.597 6.559 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390802 RRPBVZCYDYZFKC-DEOSSOPVSA-N 565.478 7.824 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1OC 101392585 YJUDOQRXJRPHAZ-QHCPKHFHSA-N 533.005 6.318 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 101399901 DNMLJLWAWXLDHN-WJOKGBTCSA-N 601.030 6.903 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 101657329 FAFGIUPBWJUUMH-BHGWPJFGSA-N 549.175 5.022 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1 101906085 KLYVEFWMWSZUJB-JAIQZWGSSA-N 525.830 6.853 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 103777488 ANMPDBBDDUDFRO-JXAWBTAJSA-N 543.557 6.314 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 103795994 XZWKZHPOWAQAKS-RWPZCVJISA-N 553.254 6.447 50 10 KKGE Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1 103883252 CRYNHFRWQTVTKI-JJIBRWJFSA-N 563.439 5.434 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 110556816 AAOFLQVKGLRXFP-NCELDCMTSA-N 551.672 5.568 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2[C@]2(CCc4cccc(C5=N[C@H](Cc6ccccc6)CO5)c42)CC3)c1 141155378 HIVLVUWPNHHMAS-UJNHCCGESA-N 619.789 8.245 50 10 KKGE C[C@H](O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195793975 KFUWLVZCEDFJIK-BQGAKRLQSA-N 553.065 9.080 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214327706 CGJMFZIPTRUFBW-NFMUSCNOSA-N 550.659 5.654 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1 234991466 ZAQFTURHACJNDU-CQSZACIVSA-N 513.849 6.467 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 254521057 QSIKETLMFYAUIR-NRLRRCJSSA-N 639.709 6.296 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1)=C/c1ccc(C(C)C)cc1 254735487 HKUMWGMMBIRIED-GSUUYQOTSA-N 664.617 7.213 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025204 RPSDMMBNHUZTKP-FCLGYYPPSA-N 602.536 9.320 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccc(I)cc2)C1 382689004 OVFYERZUCAQVIS-SJLPKXTDSA-N 500.174 5.038 50 10 KKGE Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)sc1Br 721589239 RYJSIPQSNUDMGI-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1[C@@H](C)COC[C@H]1C)c1cccs1 725239150 YSDCRNUTJOHQLU-BVFVYWQFSA-N 513.059 5.798 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 725433728 PNGCDMXWVKVNDP-VWLOTQADSA-N 529.008 5.819 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 725444460 GNDBNWQRZPMQBZ-UHFFFAOYSA-N 549.096 5.397 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cccc3c2OCCO3)cc1 725445147 CJSZARPTRLBASW-UHFFFAOYSA-N 576.074 5.579 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 1083844895 SQIBMNGKDQKJFW-UHFFFAOYSA-N 572.467 8.242 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1083960896 MZTFSRPWDMFBNV-XQNSMLJCSA-N 591.462 5.591 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=C(c1ccccc1)c1cccs1 1084179679 DOPUELBOYUGQCC-UHFFFAOYSA-N 524.675 5.602 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084332222 QRNBCJLTLNCQGD-UHFFFAOYSA-N 556.128 6.425 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 1084450885 JFTREESKJKPNFH-HHHXNRCGSA-N 546.620 5.064 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc2ccccc12 1084558068 YLKOMTUKPWGVLR-UDWIEESQSA-N 582.281 8.042 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084599039 XRJSURKQEPEMKI-SSEXGKCCSA-N 576.644 6.651 50 10 KKGE CC[C@H]1C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)OO[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)OOC(=O)[C@H](C)[C@H]2CC[C@@H](C[C@H](CC)OO[C@H](CC)C[C@H]3CC[C@@H](O3)[C@H](C)C(=O)OO1)O2 1615948711 QWCOEKSAEDVQDJ-BBCMYRLCSA-N 857.044 7.309 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746106 PJTDLHZFBIAJKN-UHFFFAOYSA-N 524.533 6.011 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748523 ZBLVRUPLYQKGBQ-LLVKDONJSA-N 519.417 5.169 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748584 RKHLFXYTAHSUQY-UHFFFAOYSA-N 506.389 6.771 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750680 GCVOTDKTCCPETR-UHFFFAOYSA-N 549.347 5.597 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(F)cc5F)c(C)c43)coc2c1C 1772751442 CBCWFVJCTTZPBO-UHFFFAOYSA-N 505.521 5.881 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(F)c(=NCN=c3nc(O)n([C@@H]4CS[C@H](CO[Si](C)(C)C(C)(C)C)O4)cc3F)nc2O)CS1 1848437553 SKMRZSXXIUMUGX-MYDTUXCISA-N 735.041 5.448 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865685134 DLWVHZIBPLKOLB-NRFANRHFSA-N 528.226 7.371 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc(Br)c1O 1865687782 AJEHXSSXTVGTFY-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865687795 ANTAIWAJPBTPMN-LJAQVGFWSA-N 534.660 6.710 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865689495 ASBQUPBXDZWCSC-NDEPHWFRSA-N 520.633 6.644 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865691387 QPSXHIXDLCSOHP-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691462 SMEJKCKJEDFCNC-HSZRJFAPSA-N 578.994 6.929 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(OC)c1OC 1865693334 VARKGYORHGYVTO-DEOSSOPVSA-N 528.996 5.496 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865695861 IOFIUBYGCRLHOF-OAQYLSRUSA-N 532.950 6.340 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698463 UPUQWBPBNWOAAH-VWLOTQADSA-N 526.980 5.250 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701340 SQHQNFQRZIQKCF-RUZDIDTESA-N 513.985 5.289 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705626 AHWVYCGYHRFCGF-NRFANRHFSA-N 504.333 5.972 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866781196 OTNWIABXUNJATK-URLMMPGGSA-N 557.622 6.132 50 10 KKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866819797 NCLYRUSNTIBIHQ-KOFSXRQESA-N 522.095 6.373 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117754 UZYBGERQBYRZAZ-ZEQKJWHPSA-N 507.606 6.374 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CCS2)cc1 1868545501 YDZTWFRARJEZJG-MUUNZHRXSA-N 567.784 8.061 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1Cl 1872793636 KXLJBUXPAUNNGJ-XDHOZWIPSA-N 502.979 6.764 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873794423 IIDHMXBKQQNPLK-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)s1 1922929023 FHDBBTZXHIEAKU-JTQLQIEISA-N 536.852 6.362 50 10 KKGE Fc1ccc([C@H](Cl)c2sc(Br)cc2Br)c(I)c1 1922941902 PXDXVCPSENNKKQ-JTQLQIEISA-N 510.391 6.345 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1scc(Br)c1Br 1924053974 VXWGMRZEXIADAQ-LDWIPMOCSA-N 518.894 6.670 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924595046 SXWARDDGHUHDSX-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Cc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1C 1924596906 VLGJKUKXYNWIKR-JTQLQIEISA-N 531.933 7.331 50 10 KKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605630 UOBLEPRGMIEDKO-IONNQARKSA-N 511.943 7.544 50 10 KKGE Cc1sc([C@@H](Br)c2cccc(Br)c2Br)cc1Br 1943904508 YLFQBNQCCKMAMV-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]21 2040543484 XBWSKTCTPUMMPT-HPQVQDLLSA-N 529.864 6.763 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C/[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](I)COCc1ccccc1 2065309348 YXQGTMRAOQYZBB-DHGIVIKBSA-N 659.681 8.185 50 10 KKGE CS(=O)(=O)c1csc([C@@H](Br)c2ccc(I)c(Br)c2)c1 2093083022 XZTZAJRZRSIBSF-LBPRGKRZSA-N 536.048 5.003 50 10 KKGE CC(C)(C)[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 2111375320 WSWHGPWYBGDKMO-NTSWFWBYSA-N 503.472 7.680 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648990 YOIAABCWNPOZOR-LDYMZIIASA-N 501.456 7.531 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141471223 PBQRGYJNSWAQPD-RFZPGFLSSA-N 596.699 7.761 50 10 KKGE CCn1cc(Br)c(COc2c(Br)cc(Br)cc2CBr)n1 2181149256 BBTQDPPTPQZWOF-UHFFFAOYSA-N 531.868 5.664 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)ccc2I)c1Br 2201082209 NVWCQZYSTXYSBJ-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 2224308619 YLKMIIOKZZKEQY-GOSISDBHSA-N 535.490 8.473 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2225616300 NWGOIQYSLKGPCQ-CYBMUJFWSA-N 522.352 6.423 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c1Br 2233185724 LACBGACAYHVMOA-XCNBQDMBSA-N 596.777 6.988 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)c(C)c1Br 2235610439 FRNOMLQDMLQQLG-AWEZNQCLSA-N 525.904 7.270 50 10 KKGE Cn1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)nc1Br 2263527837 XMBBUIHVLFCOQX-JTQLQIEISA-N 501.842 5.386 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1csc(Br)c1Br 2285061383 BMVRFWUYJWLQFF-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2288354967 DGNVJGMLEQENCA-SNVBAGLBSA-N 537.822 5.953 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296632489 XMJWKGKIPVBLOR-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2296732358 YWHGZTUICNOAJL-UHFFFAOYSA-N 517.633 5.257 50 10 KKGE COc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)c1 2296790073 MCFKHBKVNJHVPS-UHFFFAOYSA-N 510.369 5.673 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1 2313518911 ZCLCMDSEGCYJON-UHFFFAOYSA-N 603.254 6.495 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Cl 2313521545 WBDLMNCZTSBRBG-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1C 2314492771 XRKMRVSQBRVYSR-LJQANCHMSA-N 500.683 7.797 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2314519378 LTFSRPKZHDZHQC-UHFFFAOYSA-N 505.559 6.644 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314610389 HLPAQTQZDSFJPU-UHFFFAOYSA-N 508.622 5.883 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 2314616436 AKTOITPGVCJMEW-UHFFFAOYSA-N 560.691 6.287 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C(C)=C(C#N)C2=O)cc1 2314620745 UFRHUOIQXFYPSO-UHFFFAOYSA-N 586.692 6.479 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643162 FLYMZPBJTVPKII-XIFFEERXSA-N 631.487 7.947 50 10 KKGE CCCC[C@@H](NC(=O)C=C(CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 2321358941 VVISILJJXITHQG-JOCHJYFZSA-N 530.488 6.138 50 10 KKGE Cc1cc(Br)ccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609636 FNKZANNADBWDFE-UHFFFAOYSA-N 515.455 5.511 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1F 2331336236 XJIVARIDEGOQNS-UHFFFAOYSA-N 515.497 5.847 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2333303696 PWYQLRNXTFGOOT-YDMJGRFRSA-N 536.327 7.453 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(I)c(Br)c1 2360404681 CNKQYTVLKYEOLM-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365596108 RCWRUERWYNSAJW-CQSZACIVSA-N 506.392 6.697 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@@]1(CBr)CC1(F)F)c1cccc(Br)c1 2379986932 ZQHDXVPYEDAOQX-SFHVURJKSA-N 512.233 5.591 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1 3213512 PBSANLNPDJVBEX-UHFFFAOYSA-N 590.705 7.120 50 10 KKGE C/C(=N/NC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 8770087 WXSZXRHPZRZHNO-WKIKZPBSSA-N 500.462 5.077 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 11852125 XHBHKNMRTNDYMB-ATVHPVEESA-N 524.827 6.955 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 14039492 QCYOFTSYBWHXHS-UHFFFAOYSA-N 503.382 5.071 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38660293 BHINVHKJZYARJT-HHHXNRCGSA-N 502.542 5.841 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 38683758 VAMRLVPGIUKZLG-GDLZYMKVSA-N 526.633 6.609 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 38687032 JBWHDGTUMHPGQF-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE O=C(CCN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 39793604 HRUBOTDVUQPGPM-ATVHPVEESA-N 523.105 5.218 50 10 KKGE CC1(C)[C@H](Br)[C@](C)(Br)c2cc(Br)ccc2N1Cc1ccccc1 59500813 RXSOYNGXCLSJBR-PKOBYXMFSA-N 502.088 6.622 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C\CCCCCCCC 72400253 LIBNDJOBAGMROQ-PKJIHPHSSA-N 637.430 12.531 50 10 KKGE in-vitro C/C(=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 100066466 WLTPXAFZIHGJDG-QQXSKIMKSA-N 551.426 5.238 50 10 KKGE c1ccc(P(c2ccccc2)c2ccccc2Cc2ccccc2P(c2ccccc2)c2ccccc2)cc1 100215068 JILBUFWKACJMSG-UHFFFAOYSA-N 536.595 6.794 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1Br 101135413 JQLIYMYQUCTBDR-UHFFFAOYSA-N 545.412 6.069 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 101246816 VOFMNINKOWMRST-KHEHCGDESA-N 525.674 6.500 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101338618 DEDOEXSJBYXORY-ZCTHSVRISA-N 589.095 7.307 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367556 HFVPFUYRHWAOML-JGCGQSQUSA-N 562.622 6.500 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374103 OFOKQCDDPYNDSW-JCOAXYOVSA-N 556.659 6.418 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381174 WNMLFRNQOMAMOI-AREMUKBSSA-N 533.367 6.603 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383748 FYCGCSFCXRNSBC-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384662 FDRKEZUVKOVERD-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101386759 YUXZXNNMLBEQMW-QPHCHLROSA-N 584.575 6.143 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)sc2c1 101392351 HVYIYVBFIRVONI-AREMUKBSSA-N 523.013 7.454 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101394710 DJWVQKTWZBWLLW-MHZLTWQESA-N 528.992 6.929 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101398754 WOUZMBATCWWKEE-MUUNZHRXSA-N 617.485 8.364 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1OCc1ccccc1 101766678 XJGRJMNMINBETI-MUFRIFMGSA-N 590.312 6.417 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c1 104028831 ZOEMUHCPSJYPAZ-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE O=S(=O)(/N=C1/C(Br)=C(Br)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1 150421735 UVNNXZBWWIJGNO-HWGWUCKOSA-N 772.944 6.495 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 150498012 FDHALBCKTIQGKU-ZCTHSVRISA-N 629.091 7.703 50 10 KKGE Cl[C@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155256432 RURHTVYUFCHLKL-NWDGAFQWSA-N 614.430 5.819 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cn1)c1cccc(Br)c1 169005088 NBGMVMLIPRXWGA-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 205669908 RYJBHXIWVJJLKQ-OFYRUXDGSA-N 558.634 6.810 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214333106 IMTWDTDKFUUWNW-NRCSBPEHSA-N 570.693 7.318 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214340803 WNVASWKCVVHYOC-YQFNXCRASA-N 645.785 6.313 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccc(Oc2ccccc2)c1 254617447 SOMYGTYPDBWGQV-UHFFFAOYSA-N 542.711 7.018 50 10 KKGE COc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1 254800588 WILCZCMGHLBOOA-BYWDHCDFSA-N 523.633 5.875 50 10 KKGE O=C(/C=C\c1ccc2ccccc2n1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254852757 MYPQFUQFLDBWRI-VDEGSZNPSA-N 503.480 5.877 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019809 GAMNXVXEYMVDAJ-IFRYIMCDSA-N 875.999 7.761 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 380022250 UIQLAALQBOPYCL-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H](CCc1ccccc1[C@]1(O[Si](C)(C)C(C)(C)C)CO1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3[n+]2[O-])c1 504115985 HQTBZBIQHAKJLB-QONKFOAOSA-N 702.484 11.198 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 504431654 VWNYSLBEKMNLIZ-ZRBLBEILSA-N 601.022 7.170 50 10 KKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721590313 XGBXFEMKBSAKDN-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 725438681 MDTLEVSRWSECLS-VWLOTQADSA-N 599.478 5.488 50 10 KKGE CN1c2ccc(N(CCCl)CCCl)cc2N[C@@H]1CCCC(=O)OCCN(CCCl)c1ccc2c(c1)N[C@@H](CCCC(=O)O)N2C 1083806966 GOHBGOVURSZEBR-IHLOFXLRSA-N 684.109 6.060 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083888541 TUBXKABQZPKJLA-UHFFFAOYSA-N 547.307 5.192 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1C 1084133213 FSHVGISMZVCJKG-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE N#CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084213147 XFVISEQDFBXBFG-UHFFFAOYSA-N 511.557 5.277 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1 1084221564 RHJSXHZUHLAFBP-UHFFFAOYSA-N 608.536 7.875 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084410660 XBNQVNDWPBIZEV-MHWRWJLKSA-N 567.185 6.862 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084506054 FUETWGZAQXTRFC-UHFFFAOYSA-N 558.259 7.574 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@H](OC(=O)CCCCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536197 PZBUHTHCCFTXDY-CAZGPWLCSA-N 658.644 11.169 50 10 KKGE CCCCCCCCCCCC[C@H](CCCCI)CCCCCCCCCC 1772502293 UZSKVCRYJPHFPF-HHHXNRCGSA-N 506.641 11.050 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772747597 JPVBBICRWCYUKB-UHFFFAOYSA-N 509.562 5.641 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748039 UWTOXCGHUOFGEF-UHFFFAOYSA-N 527.824 5.792 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1772754983 DSVUMJUYTPRPCR-UHFFFAOYSA-N 572.539 7.337 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1c(Cl)ccc(Cl)c1Cl 1772760462 OOQPAWWDGGDBSX-UHFFFAOYSA-N 566.919 7.087 50 10 KKGE C[C@]12CC/C(=N\NC(=O)CCCCC(=O)N/N=C3/CC[C@]4(C)[C@@H](CC[C@H]5[C@@H]6CC[C@@H](O)[C@]6(C)CC[C@H]54)C3)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 1848439088 PYYXHHBYOQWWNZ-FTFQBGMXSA-N 719.068 8.298 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865686849 CITXGEPLBNEIFC-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693801 LXHGUFHAKKMFQS-LJAQVGFWSA-N 520.633 6.080 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701516 XFNHNMNMRFCRKV-RUZDIDTESA-N 537.834 6.938 50 10 KKGE CCC[C@H](NC(=O)/C=C(\CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867114458 FRELFKILXFRTBR-WMJZSHNHSA-N 516.461 5.748 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)C2 1868320395 IPAAINBOAVTSRE-UHFFFAOYSA-N 577.754 8.008 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1 1868365893 XXKDBGSKMMWWJH-JGCGQSQUSA-N 541.680 7.621 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 1872757600 NFXKLUSSIMGKCA-ADSWHHSESA-N 509.971 5.104 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1877185888 KQHXHLKZIBXDIY-ZETCQYMHSA-N 556.343 6.469 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914232436 PSIGKUPXGNITRE-LBPRGKRZSA-N 537.033 5.480 50 10 KKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995285705 JVZOCMKVWCDFTD-OAHLLOKOSA-N 506.609 5.714 50 10 KKGE C[C@@H]1C[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997173510 KYYUAXXIHAXWAO-FSDSQADBSA-N 511.899 6.287 50 10 KKGE Cc1cc([C@H](Br)c2sc(Cl)cc2Br)ccc1I 2026130292 DYLGLGBWTSXSOM-NSHDSACASA-N 506.428 6.561 50 10 KKGE CCn1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)n1 2060855626 JDQUSASESRGJQW-ZETCQYMHSA-N 542.316 6.343 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1sccc1I 2082859581 SIQWYEMMQVZFID-JTQLQIEISA-N 522.427 6.262 50 10 KKGE CC(C)C[C@@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494220 KNQCQTCGQCRSHR-HQJQHLMTSA-N 570.783 7.855 50 10 KKGE CCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085496685 XRWGIYKYMWXALP-GFCCVEGCSA-N 568.767 7.753 50 10 KKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955753 FPRHDTJZXVMHHR-HNNXBMFYSA-N 529.319 6.358 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2c(Cl)cccc2Cl)c1Br 2203706724 SLTUUHOGSYMDHX-GFCCVEGCSA-N 501.871 7.506 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1C(F)(F)F 2206396347 VXTGBAQMPXMHDN-FZYJTZEISA-N 564.259 7.605 50 10 KKGE COC[C@@H]1C[C@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2216397677 XMVXFCNURDZECL-XVMARJQXSA-N 511.899 5.939 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1I 2248222435 ZOYGUAITISJJQY-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Clc1sc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2263615197 IFIUUSBNAPJVHO-SNVBAGLBSA-N 507.519 7.687 50 10 KKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2277961739 XPIIPIYGRVQELF-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1cc(Br)sc1Br 2285079664 LRYCFLQTXBKSDO-ZDUSSCGKSA-N 503.481 6.989 50 10 KKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2285650636 POWCFVFUENXZFW-MQNJHXBQSA-N 560.296 7.698 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1I 2288490572 IIBCKIFEFAYUAI-LBPRGKRZSA-N 601.248 7.185 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 2294168550 RDAYXGPBXKJLFT-UHFFFAOYSA-N 604.444 6.976 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2cccc3cccnc23)c1 2295672617 BJNDOVFVBBGCKF-UHFFFAOYSA-N 555.656 6.730 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2295879977 CNYYGHUEKNCFPD-UHFFFAOYSA-N 543.557 6.314 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506914 LJUZAORXYDSSQS-RUZDIDTESA-N 546.048 5.890 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(I)c2)cc1 2296646522 JUSQDIZKMNTETB-UHFFFAOYSA-N 553.400 5.001 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Cl)cc3Cl)nc12 2296721782 UMIKLXQFVROSKW-UHFFFAOYSA-N 519.388 5.368 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc2ccccc2s1 2296943129 WRARWGRKBZPEPN-UHFFFAOYSA-N 553.669 5.234 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(C=C(C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)cc1 2297306939 CVKCUDPHXVWBNS-UHFFFAOYSA-N 520.954 5.294 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1Cl 2313521418 MQMXKFPQPUJNQI-UHFFFAOYSA-N 525.830 6.304 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc3ccccc23)c(Br)c1 2313630090 IOCQPOSYCKAIEH-UHFFFAOYSA-N 540.483 5.014 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCC1 2314478022 FMHALULBZBFUFE-UHFFFAOYSA-N 502.618 6.474 50 10 KKGE Clc1c(Br)cccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497463 KLXWNSFSCIKWTL-LJQANCHMSA-N 501.045 7.772 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2)cc1 2314548639 KTRHIDXROZVHPX-UHFFFAOYSA-N 514.606 7.655 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591958 IMWANMZVDPEJKX-RUZDIDTESA-N 536.484 6.929 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 2314619728 DHJJVFPVLHTKCT-UHFFFAOYSA-N 584.676 6.256 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc(OC)c1OC 2314634320 BZPPNEZFSCAWEK-SANMLTNESA-N 518.953 5.203 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 2314634504 BHCWRRVMXAERPR-WJOKGBTCSA-N 500.598 6.974 50 10 KKGE CCOC(=O)C1=C(NC(=O)C(C#N)=Cc2ccc(OC)cc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 2314716886 YCCFGOJZIPVYHC-NDEPHWFRSA-N 530.580 5.871 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 2314770508 DXCFEEQOASJPAL-UHFFFAOYSA-N 581.463 6.080 50 10 KKGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777540 JDQDPBGHWHEGDJ-UHFFFAOYSA-N 541.025 5.475 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)sn2)c1Br 2315454191 UPAHIOJMOJRGMI-QMMMGPOBSA-N 543.275 6.707 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373292 WAIJDAUYLRRKBU-QGZVFWFLSA-N 503.580 5.068 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2333303709 QLDBYWIKYUBDNT-FZJKMFLZSA-N 582.750 6.598 50 10 KKGE CC[C@](C)(C(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336594374 BCOVLLMZZFNLQN-JQWIXIFHSA-N 548.285 7.698 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 2365223124 KHXWHJJWNQFXKZ-NSHDSACASA-N 568.350 7.443 50 10 KKGE Cc1ccc(C2=NN(c3ccc(C=NNC(=O)c4ccccc4[N+](=O)[O-])cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 8424564 XSQSMPFLAWOBLI-GDLZYMKVSA-N 538.007 6.676 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 38603429 MKWMUDQWFBPSGV-NLRVBDNBSA-N 510.663 6.434 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657931 UFQUAXFBVRVWOR-PRAQEBQASA-N 504.586 6.554 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38682932 PBNZJXNQQTZBJY-MYUZEXMDSA-N 502.542 5.596 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38688588 FKZMOSUYOPPPMJ-NDEPHWFRSA-N 506.558 6.360 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813433 LRDWZCPJPOAABG-MTDXEUNCSA-N 515.353 5.834 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1-c1ccc(Br)cc1 41013119 QONSBHQXFXCFNL-SFQUDFHCSA-N 511.397 5.827 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 58894433 DMNNDDNTDPWXMM-YGVWZDJKSA-N 524.661 6.640 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1 59333266 KVKLNWNELPSZFA-DFKUXCBWSA-N 513.641 6.403 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(C)cc1 96936243 AJMMALWIBJQGQW-UUYOSTAYSA-N 505.412 6.508 50 10 KKGE Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 100110620 HKPQMUZOBGEJMO-JFLMPSFJSA-N 539.386 5.114 50 10 KKGE O[C@]1(C(Cl)Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 100233898 ISTHNDHHKHNGJB-LTZUXGGGSA-N 623.573 6.851 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 100327136 UBTVTXHRJFNNCJ-WGJSBGIVSA-N 566.279 6.307 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246477 IVXYSDYBRDJTJU-KVILUOORSA-N 552.483 6.629 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101293537 WUDDZQBHXBZAIV-WJOKGBTCSA-N 548.570 6.407 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101336346 FPCWXPTXIGIHTI-YDZHTSKRSA-N 513.421 5.980 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101340714 FRUBDQUZRWVKOU-MFKUBSTISA-N 594.027 6.292 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368422 JRWZRTJBMBHNSN-WJOKGBTCSA-N 542.632 5.885 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369282 UKSILYWGCKUZJP-MHZLTWQESA-N 529.379 7.223 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384186 VQIYOFFLWWKFOP-PXUITGBGSA-N 574.652 7.539 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387115 DYLGZVVFRIIESU-DOJVYNIVSA-N 578.596 6.259 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388595 URVVCZCFZIFEEP-XIFFEERXSA-N 611.094 7.542 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101390681 DEBLRMKOOMVTLF-VWLOTQADSA-N 545.389 6.340 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)cc1Cl 101395258 JLKZSRJCWJHVPP-LJAQVGFWSA-N 611.522 7.797 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2c1 101397669 WSXDVRYLRAZVNN-JGCGQSQUSA-N 591.063 7.973 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1N 101531797 XBESZKPIWOKOTD-UHFFFAOYSA-N 503.135 7.362 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603626 IRAFSPFVHZXJGF-MTDXEUNCSA-N 578.250 5.203 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 102419939 ZGPOEMKTQHFCLB-JXAWBTAJSA-N 566.466 7.350 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@@H]1CCCO1 102836168 FWYUTOVAEYRSSH-WZDMNQRASA-N 573.480 6.627 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 102933520 DONWTTKYPDKEMV-LZYBPNLTSA-N 573.197 5.950 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2c(Cl)cccc2Cl)C(=O)N1c1ccccc1C 103628501 IYXXGPXTFAKYEG-SDGJFRJFSA-N 522.457 6.675 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929315 ZFWPGGRRXTVKCK-HYRRXTCYSA-N 599.544 6.494 50 10 KKGE CCn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nc2ccccc21 104768838 AUUYDSULQLLZDX-JFLMPSFJSA-N 523.456 5.640 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccccc4)s3)o2)cc1 110572427 LSAYKHNQIXLSGH-XHPQRKPJSA-N 559.647 7.872 50 10 KKGE CCCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920698 HOLIBVBKAUVEFC-MHEQHUCKSA-N 563.705 9.893 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128295422 WQLUCSMFIZFXMI-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150462129 CNEVVLRMEPUTRX-HSZRJFAPSA-N 686.803 8.734 50 10 KKGE CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c2)n1 201436298 SJMXMMSLWDSABJ-UHFFFAOYSA-N 500.115 7.818 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 214233087 ZHFKWIOCEIPNNS-JLPGSUDCSA-N 512.585 5.860 50 10 KKGE O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccc2ccccc2n1 252590581 ATKCEHTZFCSVNJ-UHFFFAOYSA-N 510.391 6.493 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254515016 SURRQAOTIPBHHY-UHFFFAOYSA-N 529.666 5.579 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254699025 LRRJMAOUUQALDJ-UHFFFAOYSA-N 766.848 6.881 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCc3ccccc3)cc2OC)cc1 254818247 BNEAJTPMRHULAX-UHFFFAOYSA-N 524.573 5.656 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)CI)CC[C@@]34C)[C@@H]12 254873696 DSPKLFAHUQYUBD-DTQVNJDESA-N 596.678 9.091 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)ccc1OCCC(C)C 263628704 FXLWFOQBAFKAHZ-UHFFFAOYSA-N 519.692 6.786 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390508220 XTFBWJOESBVQHB-LJQANCHMSA-N 514.870 7.330 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)[nH]c(=Nc4ccccc4)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 504203680 JDTKCDCRSRWMSD-KHJGLVBMSA-N 701.150 8.274 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616586677 HKOFRLLVGWKTHV-XNTOXWQXSA-N 560.801 5.253 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616672797 MVDGQCLBPUGDDZ-HHHXNRCGSA-N 511.899 8.377 50 10 KKGE CCn1cc([C@@H](Br)c2cc(Br)c(Br)s2)nc1Br 698497722 OCBQIXSMYGCNPQ-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)O 1083944110 HGVDDYWBEQZIIA-UHFFFAOYSA-N 523.589 5.417 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1Br 1084066240 GPWJMWCHGRTYKU-UHFFFAOYSA-N 501.211 6.523 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC 1084142635 OQEXSBAEDOJHAZ-UHFFFAOYSA-N 528.450 6.716 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 1084207819 VAHIYYNFLKWCQQ-UDWIEESQSA-N 525.830 6.934 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]23)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 1084294000 QAGNTHOJEGTRBR-UMUKNQJXSA-N 526.922 9.641 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084312702 UPQFJMYCTJLIHN-RGVLZGJSSA-N 725.151 8.480 50 10 KKGE CC(C)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084400621 BLBHVIAFAYSFKP-UHFFFAOYSA-N 534.465 5.374 50 10 KKGE CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084449458 YRPDJMUQQYRVCA-WENCSYSZSA-N 506.433 6.739 50 10 KKGE Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1 1084460959 WNKOEGVRHLUTID-WOJGMQOQSA-N 516.222 7.189 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084491743 JOQUVURQCWAZBT-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE CN(C(=O)c1ccccc1Cl)[C@H]1Cc2c(F)cccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613988566 FRSZXGUXUDWUDR-PMWNKBIASA-N 534.897 5.600 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@H]4C/C(=N/NC(=O)c5ccncc5)CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 1614465134 LTANJFVUAIWDNA-AIILGXJFSA-N 526.685 5.391 50 10 KKGE Nc1cc(C(F)(F)F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614640114 FDPQVEXUWYVEFS-PBHICJAKSA-N 504.290 5.075 50 10 KKGE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O 1848439732 JHJCMTXXQWTQJC-SFPLLMFJSA-N 637.107 9.508 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1O 1865681035 CVXCJJASOSFJPX-MHZLTWQESA-N 500.558 6.015 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccccc1 1865687140 KIDJCRXXYCWFKF-HHHXNRCGSA-N 506.606 6.012 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865688354 QBQACZIALHZHLX-MUUNZHRXSA-N 527.024 5.742 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689797 WUHUWOXAXOZIPS-QHCPKHFHSA-N 577.410 5.441 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691998 HAVCEEQYYNEAQA-RUZDIDTESA-N 546.986 5.635 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692094 IYDMOGXBWSAOPX-DEOSSOPVSA-N 544.995 5.445 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693620 KZTSQUVBJZHVFA-GOSISDBHSA-N 509.315 6.205 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865693765 YNYXYXHVXKBDRI-QHCPKHFHSA-N 557.876 6.392 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694436 VFXXTBTUJPGKNH-GDLZYMKVSA-N 520.633 6.329 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865695340 NTKTUAHHXAAYRH-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865698227 NWFCMJNQQHHBEN-XMMPIXPASA-N 531.399 5.895 50 10 KKGE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700699 BLMZTALXNHENEJ-XMMPIXPASA-N 504.377 5.680 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705070 LFYSTJLOEMKPRZ-MUUNZHRXSA-N 542.570 6.175 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865709310 UEYLEODGEPXXHB-HHHXNRCGSA-N 550.059 5.088 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711703 FZLPDLKBGHQKBB-NDEPHWFRSA-N 527.584 5.740 50 10 KKGE CC(C)(NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931122 ZEOFAMVFRSWREQ-UHFFFAOYSA-N 510.619 5.647 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872751570 NNDCWNPOYGIPIC-HWAZLRDOSA-N 501.652 6.519 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(Br)c1OC(C)C 1872794199 ORWNGESZXKCNLZ-VXLYETTFSA-N 525.512 8.039 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2nscc2Br)c1 1899880379 XLCWFWNXRIBSAZ-INIZCTEOSA-N 518.068 6.731 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OCc2c(Br)cccc2Br)[C@H](I)C1 1901794470 LNGDFMUOBACIRM-KGLIPLIRSA-N 561.052 5.151 50 10 KKGE O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915756215 VMUSRCZOZCNINP-UHFFFAOYSA-N 552.126 5.720 50 10 KKGE Clc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1Br 1922938258 CWQDQXBYUCUOKT-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 1924585930 RXNNUTGOSHMMND-JEYRGSDZSA-N 519.922 6.764 50 10 KKGE CN1C(=C(C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2cccs2)CC3)N(C)c2ccccc21 2053623429 XVJNRXXPKASZJK-UHFFFAOYSA-N 532.625 5.830 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CCOC2)c1Br 2085495548 RJTYODXBSCQGCH-RNFRBKRXSA-N 570.739 6.599 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2111087391 TUYORYJPMWNJEU-VIFPVBQESA-N 528.318 7.979 50 10 KKGE C[C@@H](Br)CCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2132752969 GZATVZVKMKEARN-SSDOTTSWSA-N 516.857 5.271 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 2138159031 GFEXHEJWONKHOH-NSHDSACASA-N 537.868 6.668 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467835 CRUOWOKMTJXWJI-MLHVDZHRSA-N 536.327 7.309 50 10 KKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(OC)c1Cl 2150344950 XBQZNYBWOWJDHO-VIFPVBQESA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c1Br 2201074743 AYNGZNWYIQKPKM-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399815 LVPLFCHBIOCNJL-LLVKDONJSA-N 659.634 7.025 50 10 KKGE Fc1cc(Br)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206408476 JRIDXNHUHVASQO-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE CC(C)N(C)C[C@H](Br)Cc1sc(Br)c(Br)c1Br 2216422402 VLWGJJWSRFKAQZ-SSDOTTSWSA-N 512.931 5.682 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2218597263 LAHMTDZECRTTDJ-JTQLQIEISA-N 542.287 7.265 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1C 2221835402 IKXLDNVPIAWKRX-ZETCQYMHSA-N 558.380 7.852 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512524 UMWBJUXBENGZAP-NSHDSACASA-N 526.252 7.795 50 10 KKGE Clc1c(Br)csc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2246464924 IBFOTBKYZKCGRD-RXMQYKEDSA-N 520.320 7.732 50 10 KKGE Cl[C@H](c1cc(Br)co1)c1c(Br)c(Br)cc(Br)c1Br 2258148933 SLARRLLEAHABTG-LLVKDONJSA-N 587.125 7.420 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1scc(Cl)c1Cl 2272747391 JTTIIDRHKMWVDJ-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(F)c2C)ccc1I 2279139873 QAYJESKACGKIAJ-HNNXBMFYSA-N 511.998 6.602 50 10 KKGE COc1c([C@H](Cl)c2csc(Br)c2Br)cc(Br)c(C)c1C 2284585666 SZFBUWGRWQOUCX-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccccc1 2294172040 WKQWCNIRHSTGDS-UHFFFAOYSA-N 587.474 5.612 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)cc1 2295672261 HGZUJWKNQNDSBZ-UHFFFAOYSA-N 545.355 6.991 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(=O)OCC)c1C 2296790152 SIDRSJNTVRGRJG-UHFFFAOYSA-N 539.635 5.693 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2298422218 YOKOQVCFJZMIPW-UTSKPXGSSA-N 507.911 6.908 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2300296581 NUXFBAJMHMLSSL-BYPYZUCNSA-N 528.289 5.907 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@@H]1C2 2312063794 DGTNYXHSSQFYKP-UAMTVZLOSA-N 522.300 7.207 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]23)c1Br 2312064160 UHAXHHODZIPRPJ-WDOVLDDZSA-N 566.751 7.219 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313568684 VYVCWVDXGQAIBA-UHFFFAOYSA-N 607.275 7.430 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314490294 ZLWBOIUZSUVXQL-UHFFFAOYSA-N 517.522 7.302 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(CC)cc1 2314594012 XMCVMSPKOCYPJA-OAQYLSRUSA-N 519.976 5.650 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(Br)cc(Br)c2)CC1 2315454390 WNHCUJLZSCARRG-UHFFFAOYSA-N 589.106 5.933 50 10 KKGE BrCc1cc(Br)c(OCc2sccc2I)c(Br)c1 2316757463 LSCZVXKZAQVUPU-UHFFFAOYSA-N 566.878 6.352 50 10 KKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325384797 PDECYZJROFIIQX-UHFFFAOYSA-N 501.736 6.854 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C(=O)OCCc2ccccc2)c1C 2329639347 FHEQOGRJHRSCEL-UHFFFAOYSA-N 506.555 5.318 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 2331478331 JVDRQDQETDWPPW-UHFFFAOYSA-N 511.485 7.650 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1I 2340067814 GTJGQBWXNGXFRY-AWEZNQCLSA-N 563.398 6.042 50 10 KKGE Fc1ccc2cc([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)sc2c1 2361204535 HTMFFCHEAFWYKA-JOCHJYFZSA-N 506.234 7.866 50 10 KKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(Br)c1 2365994678 QGJLHRDLFOKTSS-CYBMUJFWSA-N 517.043 5.229 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1 2367482999 YLOVPYLWDVIDPP-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE Brc1cc(CN2CCC3(CC[C@@H](Br)C3)CC2)ccc1I 2377316989 OHNCWZSHSJBMKM-CYBMUJFWSA-N 513.055 5.583 50 10 KKGE CC(C)[C@@H](Br)C(C)(C)CN(C)Cc1ccc(I)c(Br)c1 2377325768 XQCWDINGYCCKPD-OAHLLOKOSA-N 517.087 5.931 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(Oc3ccc(Cl)cc3Cl)nc12 33667137 QALJNONYERRNOZ-PTNGSMBKSA-N 505.386 6.776 50 10 KKGE Cc1cc(O[C@@H](C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc(C)c1Cl 40960468 SPBKCJXTRPZYCQ-BFWPAWLWSA-N 515.835 6.216 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100185750 OEHQRVUJBFRZBJ-UHFFFAOYSA-N 607.137 5.773 50 10 KKGE CC(C)(C)/[N+]([O-])=C\c1ccc(OCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100218830 QAMSCJCTMRTPOY-DNGXXSEMSA-N 510.638 6.567 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 100238152 GEBGCCPJTITRCQ-WRIMGEDOSA-N 541.442 5.399 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCCCn1ccnc1 100883833 WVSVVKNYMQSRSW-NHFJDJAPSA-N 528.616 5.428 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245328 ZCBFTDNLFLNHFD-IDJUBOEBSA-N 535.591 6.696 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101332944 KIBGDVQINLNHSD-HYARGMPZSA-N 500.986 5.594 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 101375367 WDOXDBGQJGLNGT-MHZLTWQESA-N 502.567 6.075 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101383001 AGHDINDDHVCAFV-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386103 BHWCSBPCEHRPQP-NDTAFNIQSA-N 579.052 7.073 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387479 PYKCEEOEWJADET-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387805 PGDZMENOSINKFZ-DHUJRADRSA-N 604.703 7.589 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c1 101388674 TYNGABRYHZTMFC-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613324 MMIBULMQCGZKSX-IWBSIUBASA-N 532.427 7.285 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614793 UWTOXCGHUOFGEF-KLPHOBTLSA-N 527.824 5.792 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)c(OCC)c(OC)c2)c(OC)c1 101798290 ZMTZXFJSSNSYNT-ZEQSIELKSA-N 557.441 5.307 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)c1 102601981 JTZRAKQMLOIQBR-RQVRJSDGSA-N 603.469 5.873 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C/c2ccc(OCCCCCC)c(OC)c2)c(OC)c1 102602838 WPOFEAUDGGSHFV-DRPBVWSQSA-N 543.620 5.385 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 103879496 SQIBMNGKDQKJFW-ODNPBWNPSA-N 572.467 8.242 50 10 KKGE O=C(Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 105626727 GGGKGXZUTBRZRR-GATIEOLUSA-N 537.153 5.647 50 10 KKGE CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C 118920363 UISXOAJBTYXLPL-OGABSSIVSA-N 633.701 6.787 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1Br 128274088 CXJZHSFHWSSLSE-JTQLQIEISA-N 507.842 6.659 50 10 KKGE CCCCCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 150446241 MXLGEMFLUIXGFW-CRLLLLONSA-N 674.843 5.849 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 150462692 ULUIBUYKPDGBFV-IOGUJBTOSA-N 636.705 5.384 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1Cl 150463505 LQMQKGMDTKYQSR-XIFFEERXSA-N 659.566 8.506 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150483796 GZYGPUHDORGMCE-YTTGMZPUSA-N 631.512 7.400 50 10 KKGE C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C 198004760 OJXOCHUHYYCJPV-UODIDJSMSA-N 557.053 8.774 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 206677670 KLUSPKVCKXLFTE-HMAPJEAMSA-N 548.592 5.317 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214388540 YVEZFQGMLDDDPU-UHBFCERESA-N 600.675 6.404 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc(Br)ccc1Br 236039970 NBSJCCVIRRXUQG-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE Clc1sc([C@H](Br)c2cc(I)ccc2Br)cc1Br 236044290 GRXLKZHTFPPTBC-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 254306685 IZZACLZCVYZHCD-UHFFFAOYSA-N 589.067 6.158 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)sc2c1CC[C@H](C)C2 254309852 ITTADMMELRBWER-NRFANRHFSA-N 653.713 5.577 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)S(C)(=O)=O)cc1C 254865418 BEHQMLBIQZIKGI-UHFFFAOYSA-N 596.675 6.460 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254868921 XGONPDWJPQJZDW-BEEPDBPDSA-N 509.679 6.448 50 10 KKGE ClCc1cnc(Oc2c(I)cc(Cl)cc2I)s1 310403751 HLWGKFLKJTVLPK-UHFFFAOYSA-N 511.937 5.537 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675032186 UDNMDSKTRSWGNM-GXZQEHIMSA-N 551.646 5.016 50 10 KKGE Oc1nc2ccc([C@H](Br)c3ccc(I)c(Br)c3)cc2[nH]1 721570889 CKOAZBNYDDKXNZ-CYBMUJFWSA-N 507.951 5.120 50 10 KKGE CCOC(=O)[C@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725238490 UHOJPMPDJWUHSQ-SIKLNZKXSA-N 525.136 5.160 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1 725444365 WICNFNKUKLNCMD-UDWIEESQSA-N 524.358 5.733 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083942542 NEIBUCAJFCXGBS-UHFFFAOYSA-N 673.438 9.593 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084072078 LLXDWAKMGWSEML-UHFFFAOYSA-N 637.511 7.074 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c1C#N 1084139561 FTRYTWBQLGPSJT-UHFFFAOYSA-N 592.277 5.586 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Br 1084152644 GEPMOQCRGZZDSC-UHFFFAOYSA-N 629.920 5.175 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084169850 KYCKHTMXZIBECB-SFHVURJKSA-N 536.445 5.958 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 1084280963 UGGXVBAWUKVJJW-UHFFFAOYSA-N 560.097 8.178 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Br)cc1 1084513929 HGBRDFYTSUXTRR-UHFFFAOYSA-N 608.536 7.957 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084594841 DSAFXISKDQFOHK-UHFFFAOYSA-N 576.722 6.562 50 10 KKGE C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718751 ODXORKIZEJGVMY-WNZKGNJJSA-N 526.829 5.224 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772744121 QHMOJDNLNCMITA-UHFFFAOYSA-N 522.443 6.416 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772751716 KSVJKHGUCXDESA-UHFFFAOYSA-N 528.561 5.356 50 10 KKGE O=C(COc1cccc(Cl)c1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752289 PBMQCVPLFPVYAT-UHFFFAOYSA-N 533.209 5.202 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688728 ZKMSQAJWIKJABC-RUZDIDTESA-N 502.977 6.056 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689593 TZEQGTXEAKIFBQ-HXUWFJFHSA-N 553.368 6.424 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865690815 BRSMGHMDNXSJDD-XMMPIXPASA-N 537.458 5.635 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OCC 1865691162 LGZYNFPHMYXFCM-AREMUKBSSA-N 521.061 6.664 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866681819 RYZFRAFTONVKFT-WUFINQPMSA-N 524.621 5.486 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231633 MVTCZUBURXEJNE-GDLZYMKVSA-N 507.663 7.077 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 1868389189 RDUBCSMFROIUJS-WJOKGBTCSA-N 522.722 7.911 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccccc4)C3)n2)cc1 1868544932 OIZXZOWPDDEDDT-MHZLTWQESA-N 521.690 7.336 50 10 KKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915116146 ZKKCZCINKCKYBX-OAHLLOKOSA-N 506.609 5.714 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922897610 ONMAKYQCLKHEQC-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1sc(Br)cc1Br 1922946855 WCYWSTNLMKDKSB-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE COc1sccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924571190 PTKIATDVWKYILK-LURJTMIESA-N 525.907 6.590 50 10 KKGE COC(=O)c1ccc(COc2ccccc2C=C(C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 2053614500 VZBBAPPRIXJHMV-KRWDZBQOSA-N 511.603 5.951 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2083335538 TVFUVGPLWMLYMW-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2083335606 UOHQASKLSLPGKX-NSHDSACASA-N 538.324 7.482 50 10 KKGE CCC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499420 TZAIVBKJPWFVNL-OPVBNTEQSA-N 568.767 7.609 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1ccc(Br)c(C)c1Br 2138865892 RXMVJOZYCXHINF-GFCCVEGCSA-N 515.869 5.983 50 10 KKGE Cl[C@H](CC1CCOCC1)c1c(Br)c(Br)cc(Br)c1Br 2141471324 QGKONQDNZYJWQT-SNVBAGLBSA-N 540.315 6.833 50 10 KKGE BrC[C@@]12CCCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2189899169 ATRUAHFXBSKTRZ-HIFRSBDPSA-N 514.043 5.373 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c(F)c1Cl 2201617619 ZNJQPWJHVVHVLA-NSHDSACASA-N 554.248 7.390 50 10 KKGE CC1(C)C[C@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206394358 GWAUTYAPPLEMOD-YUMQZZPRSA-N 598.793 7.378 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c(Cl)c1Cl 2224307948 RPEPYGRSTYCYTB-VIFPVBQESA-N 504.285 8.215 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1Br 2224951255 VABSUENKWMRHQR-BGTQOLROSA-N 537.937 6.677 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1cccc(Br)c1Br 2278097929 ZWYMURBAALAEII-ZDUSSCGKSA-N 501.490 7.579 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)cccc1Br 2288377270 VWPSVNBZYWCVJV-NSHDSACASA-N 598.699 7.499 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 2296645834 ICMXRFCZDDWQTA-UHFFFAOYSA-N 540.667 6.760 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570965 KHFNLBLXLAOXDY-UHFFFAOYSA-N 581.091 7.643 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2313738901 XHMQFXIJEKTPOY-UHFFFAOYSA-N 512.305 5.675 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593838 UOKUBEXIVLKJGO-BCHFMIIMSA-N 532.065 6.042 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314616440 AMHBWNGUGDTKFZ-UHFFFAOYSA-N 569.105 7.297 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 2314616922 MYAAGVLLGDEIGR-UHFFFAOYSA-N 510.569 5.612 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314617423 XZTVMEBQVVLFAP-UHFFFAOYSA-N 544.611 5.657 50 10 KKGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617858 BXKFCABRLCACLR-OAQYLSRUSA-N 541.431 5.742 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618997 XXLSTRVBRUSJNU-JOCHJYFZSA-N 563.057 6.945 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 2314619827 GAYNFPCCWMSZSN-UHFFFAOYSA-N 604.682 6.701 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 2314750963 HNYWSXHOEDLNBH-UHFFFAOYSA-N 522.557 5.067 50 10 KKGE C[C@@H]1CC2CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319522437 ARFDNUYRIBPYSA-LTSRSOQQSA-N 523.910 6.429 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382701 CVJFOAJMVFIZFB-UHFFFAOYSA-N 524.974 6.112 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)Nc2ccccc2)c1C 2329700037 XEKDCNJXNADCPL-UHFFFAOYSA-N 538.423 5.794 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331331031 QQBBNFDNYIZFPA-FQEVSTJZSA-N 501.608 5.552 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452160 MUGZXSSXHIOOJE-UHFFFAOYSA-N 520.202 5.876 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(C)cc3)cc2)n1 2331467626 MQMHQALIGPYMRF-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2340066702 UCZXCGOLQFOCLG-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE C[C@H]1CCC[C@@](CBr)(OCc2cc(I)ccc2Br)C1 2341857783 WINIFDVQMFDSTF-XHDPSFHLSA-N 502.028 5.914 50 10 KKGE ClCc1cc(OCc2ccc(I)c(Br)c2)ccc1Br 2349803293 KMWHHMRBPACRDJ-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362230493 QNQMLCLNFSJBCI-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362241213 UXEXTCXLBXFSSY-GFCCVEGCSA-N 556.797 7.076 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 1790512 FXZQDSNSAJZSRG-VECHRTTRSA-N 522.457 5.779 50 10 KKGE CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c(SC#N)c1C 20571362 JPPNIAOEJBNYFP-UHFFFAOYSA-N 515.638 5.168 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660796 LFIVSYLLOIZISN-PMERELPUSA-N 504.542 5.990 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 38679220 AZRIIHYECVNBPL-NDEPHWFRSA-N 514.578 5.303 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1cccc(Cl)c1 40846207 MQBRFXCRNNKXQQ-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 40879701 XDDGJIVHCSAXBF-PTGBLXJZSA-N 512.606 5.439 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 40929849 FNULVABQWHPWKZ-LICLKQGHSA-N 515.349 5.193 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)(C)C 40929972 TYUIQZLPLKPOJO-RCCKNPSSSA-N 502.567 5.184 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 40935109 JCYQWZVNAVSDPJ-HMMYKYKNSA-N 508.958 5.320 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(Br)cc23)cc1CN1CCOCC1 97956086 IRQDKLTZNGQCHD-VTNSRFBWSA-N 593.909 5.922 50 10 KKGE C[C@@H]1CCc2nc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)sc2C1 100922131 KUTHFCPFJXOZNN-MMLQSBIBSA-N 555.174 5.892 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101335638 ALJCOHJTMQZGHW-NDZAJKAJSA-N 593.083 6.400 50 10 KKGE COc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101337952 RDXXZZZEWWRBOR-PXMCARDJSA-N 512.993 6.281 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 101378356 AKAMGBNJADALFW-LJAQVGFWSA-N 533.024 6.420 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383296 HHJJECXHMUSXBV-PMERELPUSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384537 WYGUAHYHQUEHFQ-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385339 BMNLPAQNCQLUKD-UUWRZZSWSA-N 590.676 7.199 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(F)cc1 101387094 ZYLHFURCDJMOBA-HHHXNRCGSA-N 528.561 5.912 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCC(C)C 101395581 XGLWQGJCLZNBKY-PMERELPUSA-N 552.627 6.839 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399976 YVFVVBNSPZAEDH-YTTGMZPUSA-N 608.597 7.435 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 101727256 KIUVUDPKHAXKIK-MZJWZYIUSA-N 538.492 6.394 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OCCOC)c1C 102924652 WETWZLCQGIUJQR-FOWTUZBSSA-N 532.043 5.790 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 102933021 KDZVUCBRJVVOEB-RQZCQDPDSA-N 603.344 5.480 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103796556 YLBDLADUMDAOCI-XKJRVUDJSA-N 587.655 6.826 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4ccccc4Cl)c3C)sc3c2CCCC3)cc1 103875151 JAYQFSUYRKUCCO-VTNSRFBWSA-N 560.123 7.404 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 105947909 WHVRWIWOUDCNIN-NDENLUEZSA-N 550.552 5.906 50 10 KKGE CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)[C@H](Cl)C(=O)Nc1cc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)ccc1Cl 150341851 WCFXEOZOWGNXIO-QNGWXLTQSA-N 819.845 10.606 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400857 DGAALRJHQZSLAK-QFSJPRKCSA-N 883.930 8.869 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccc(Br)cc12 150481756 UMSXEYQFZJAOSQ-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485436 WMQSTAUPQXKXDX-DHUJRADRSA-N 637.519 8.100 50 10 KKGE CC1(C)[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 155255170 PEJVDJROFJDRAU-UWVGGRQHSA-N 632.843 5.441 50 10 KKGE CCO[Si](OCC)O[C@H](C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 195850249 TWVXZWZBXSDPOH-ZCFIWIBFSA-N 681.329 7.729 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227846117 ALDCMDFBRKGVSG-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2csc3ccccc23)c1 232482858 QRSWUNPJWMLIEB-OAHLLOKOSA-N 508.016 6.753 50 10 KKGE O=C(NN=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 252642501 ZMGNMXBFGQGELJ-UHFFFAOYSA-N 550.829 7.798 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254311919 MYWCDHZYBOCEOE-UHFFFAOYSA-N 570.601 6.321 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)s2)cc1 254393336 GNYWZFHQFFXXJE-BTZZZLGISA-N 519.515 5.769 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)[nH]n2)cc1 254737028 WGVPHCIBRTVIBJ-UHFFFAOYSA-N 554.691 7.168 50 10 KKGE Clc1cc(I)c(OCC2(CBr)CCCC2)c(I)c1 310711636 CTIQUKQBJOCWPT-UHFFFAOYSA-N 555.419 5.883 50 10 KKGE Fc1cccc(Oc2c(I)cc(Cl)cc2I)c1CCl 311405820 JASGDSPPFGKCLT-UHFFFAOYSA-N 522.910 6.219 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2Cl)C1 382737275 XRTXRTKWGPLQNN-PBHICJAKSA-N 534.619 5.890 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)s1 707814207 ABFVKRPKIDDVLH-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1 1083958307 YSQIFJSUAJOPJN-UHFFFAOYSA-N 707.430 6.698 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Br)cc1 1084027912 CUAANBSJKVCOEW-UHFFFAOYSA-N 548.510 5.838 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1 1084089894 NZTXKQFBFLPPTQ-UHFFFAOYSA-N 626.232 5.637 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1 1084111644 UMIYTXBMSQAZIY-GDLZYMKVSA-N 605.529 6.943 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl 1084342566 YFCBXTCNWUOYKB-RGVLZGJSSA-N 525.830 6.853 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084348478 VIIKZVDKDBBTOP-UHFFFAOYSA-N 637.155 8.336 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1Br 1084380575 PVMYBWQWSXHLOU-UHFFFAOYSA-N 695.520 6.655 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084392882 AZTZRDBAKLJXNK-KGENOOAVSA-N 709.753 6.384 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 1084402963 XDZWMCPZENBRRH-VGOFMYFVSA-N 545.602 5.281 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084407613 STBXTLWDGUMOND-UHFFFAOYSA-N 603.701 5.282 50 10 KKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(F)cc1 1084511532 SIKXPJKACWQIQT-STZFKDTASA-N 501.355 6.866 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084656440 RWUDPGOWBKJONB-UHFFFAOYSA-N 529.862 6.752 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 1772753155 DVQYVNGPCJQAQB-UHFFFAOYSA-N 501.630 6.545 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683325 IVEQAAFHADPANL-XMMPIXPASA-N 542.437 5.595 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687089 JFHURCOFVMOYJP-MHZLTWQESA-N 527.024 5.953 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Br)c1O 1865689398 RFDYZWVFVGPTRN-JOCHJYFZSA-N 503.356 5.029 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689413 ROOPFJHJRXMECV-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865692059 ILTAZLZKROTCTC-QHCPKHFHSA-N 541.421 5.547 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865692309 LCFJVABNDQWMLF-HXUWFJFHSA-N 503.441 5.270 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865693542 WTBVQPYPLOVSFR-OAQYLSRUSA-N 503.441 5.406 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705420 VNMZEXHEQULCQE-AREMUKBSSA-N 527.024 6.266 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705541 YSYAPTABXGBPBQ-SANMLTNESA-N 524.552 5.079 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705691 CFZQAJGMYHDHDG-OAHLLOKOSA-N 540.683 5.433 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865706688 CMLMVTYGUSWKGH-DEOSSOPVSA-N 515.539 6.136 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C1 1868320359 HSKOTNQNHDXFCG-OAQYLSRUSA-N 507.663 7.498 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1OC 1872756321 XDXZPMXEPQVCNP-VDRRSSSNSA-N 519.406 6.657 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1OC 1872758082 KJKGTYFNERTYCD-XKBVJOOISA-N 516.044 5.426 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872792437 YXMLMLPRIBBUJJ-OVCLIPMQSA-N 518.274 7.402 50 10 KKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915289317 RUYLXHYKOFKRCZ-GOSISDBHSA-N 520.636 5.960 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915296452 UMFMQWAICBNJDN-KRWDZBQOSA-N 518.087 6.274 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cccc(Br)c2Br)c1Br 1922912800 QVRHLLIYUIFOOC-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(I)c(Br)c1 1924050779 DEIMDELOSSCYED-XLKFXECMSA-N 559.865 6.451 50 10 KKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605629 UOBLEPRGMIEDKO-CBAPKCEASA-N 511.943 7.544 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)sc1Br 2003649506 KVHKKKCXESWNMQ-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE O=C(C=Cc1ccc2ccccc2n1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 2042447699 MYPQFUQFLDBWRI-UHFFFAOYSA-N 503.480 5.877 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2ccc(F)cc2)[C@@H](CC[C@@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 2059889197 XXMINDVVBVJXLN-BWFYGAPHSA-N 716.974 10.041 50 10 KKGE CC(C)(C(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493346 ARZSEGBGKPNWTO-SECBINFHSA-N 578.709 7.464 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CC2)c1Br 2085494985 OOEZHQXWFKIABY-PTZCXBDSSA-N 566.751 7.219 50 10 KKGE FCCOc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2189516751 DWBHAASWLAHESX-JTQLQIEISA-N 551.895 6.868 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(F)c2I)c1Br 2201065004 MLGTZEYNLJZFMY-CQSZACIVSA-N 576.867 7.056 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394686 IMPJXWFGWPPTFF-UUEMRFSQSA-N 564.259 7.605 50 10 KKGE CC(C)C[C@@H](C(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394886 JXNGTSLDUFEMOQ-BJOHPYRUSA-N 554.386 8.335 50 10 KKGE CCn1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2206397973 PDBSAPCVNBXNEE-NSHDSACASA-N 659.634 7.200 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206399803 LQBBEKYAGAVNGQ-LLVKDONJSA-N 611.191 8.183 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)sn2)c(C)c1Cl 2217616942 BGCMENZADZRISM-NSHDSACASA-N 521.443 6.265 50 10 KKGE Cc1ccc([C@@H](C)[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 2232088854 XZRHNLINOUXPSP-KCJUWKMLSA-N 531.933 7.584 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CI 2295157449 HISNRFHCHAMNRT-SOVKOMHZSA-N 554.673 9.257 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@@H]1CCCO1 2296730281 PMMBBBZYAGCBMG-LJAQVGFWSA-N 504.590 5.320 50 10 KKGE N#CC(=Cc1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 2296791885 GJLZGBNGVPBMJT-QFIPXVFZSA-N 551.672 5.396 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)C=Cc3ccco3)cc2)cc1 2297321737 CSEIOLKOTQJEQM-UHFFFAOYSA-N 576.653 5.666 50 10 KKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(SC(F)F)cc2)cc1)C(=O)Nc1nc2ccccc2s1 2297539177 SHZTTXFNMLEKGY-UHFFFAOYSA-N 536.585 6.174 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1 2313521331 GZOMQYQUTZNILQ-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 2313631196 LXZWKWMIFZTISF-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 2313667462 NFKGYJUGWKZARL-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592657 ZPHKGMGOWSXABE-VWLOTQADSA-N 586.035 7.131 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314611435 UDCOLQCGQJCCLJ-UHFFFAOYSA-N 563.057 6.772 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314611620 YDTIDFIOMIHNDU-UHFFFAOYSA-N 576.656 6.911 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617518 ZPQQUTPGDJWVKC-UHFFFAOYSA-N 558.707 6.876 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 2314619552 BDWLKAGSVBIKLP-UHFFFAOYSA-N 546.602 6.178 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 2314643301 OONSWSVZYODAQV-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3cccc([N+](=O)[O-])c3)c2C(=O)OCC)cc1 2314737609 BSVDFPAPNRKRIG-UHFFFAOYSA-N 505.552 5.834 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Cl)cc1 2329703131 ABMCISZVYZPAGF-UHFFFAOYSA-N 510.999 6.117 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305782 TWXYBOUPUZINSO-QFIPXVFZSA-N 505.621 5.419 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 2331339919 FWPHCXCDKDPYBU-UHFFFAOYSA-N 506.587 6.075 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331362704 NEPNSRIACWLCTP-GDBMZVCRSA-N 514.434 6.528 50 10 KKGE CC(C)(C)[C@@](C)(CBr)COCc1cc(I)ccc1Br 2352093224 PCUOUWVUJZRCAE-HNNXBMFYSA-N 504.044 6.018 50 10 KKGE Clc1cccc([C@H](CI)OCc2ccc(Cl)cc2I)c1 2365645822 SCZKXILXLVEGHP-HNNXBMFYSA-N 532.974 6.291 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1csc(Br)c1Br 2380942863 ABQKNZQLCXTVOR-ZDUSSCGKSA-N 545.960 7.952 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1OC 6167449 MLLJUDOAVRAYAZ-OSOATCBPSA-N 621.756 6.161 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OC(C)C)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 6167540 KRAFZMZSSIATFU-LJOWCSQQSA-N 621.756 6.015 50 10 KKGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])o3)C(=O)c3ccc(Br)s3)sc2c1 9629585 WSQBZIZVOOYAHW-AWQFTUOYSA-N 507.347 5.311 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(F)cccc1Cl 32520553 BREOSSXOTVIKRL-XODNFHPESA-N 512.994 5.576 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OC(=O)c1ccc(Cl)cc1 33905556 ZMPIPMVUTMJQLJ-BOPFTXTBSA-N 507.886 5.117 50 10 KKGE CCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 38608343 YDFPCGMJLILCTH-XQNSMLJCSA-N 518.610 5.116 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655861 FSNDOGHTIXONLN-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 38660332 VXBWOKWYPPNQLU-MUUNZHRXSA-N 514.578 5.566 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38685178 UQTAPGODURGNQN-HKBQPEDESA-N 504.586 6.385 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38686226 CUIUNDOFSBPTJF-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Cl)ccc43)cc2)cc1 38686265 NXWGGIWHJOXQSJ-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE Cc1cc(C)c(COc2ccc(/C=N/NC(=O)CSc3nnc(-c4ccccc4)s3)cc2)cc1C 40947806 WUTRTEDARGAXLV-RWPZCVJISA-N 502.665 5.952 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 97968668 MQUPOOJTAVIENK-IQQNDYETSA-N 573.299 7.470 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 100173374 GTOFCJUHLZQFSH-UHFFFAOYSA-N 534.520 5.655 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 100235903 YEYDVSCDNSMDOT-PNODBXBWSA-N 589.870 5.773 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100236977 DULDJSJZTIJYNY-JKSUJKDBSA-N 578.301 5.872 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335723 XZPPQIYKIQEMDF-YBFXNURJSA-N 522.355 5.799 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101067212 IIDFRFGZGJGXKX-IWBSIUBASA-N 599.485 5.414 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244621 AONXDNNMNGJPBG-YMGIJWJESA-N 524.429 6.067 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101338650 MMKUCDBHBOKOGS-ZCTHSVRISA-N 572.640 6.792 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1 101367337 PIYTXLDNTQXSMI-YMUNOAHJSA-N 565.025 6.765 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386483 LBHKMIVTZDFTBR-LJAQVGFWSA-N 583.984 6.273 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)c1 101389103 VEKOBGASTGQPLE-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101395789 HODUNNMJXHUJOJ-XZWHSSHBSA-N 556.615 5.474 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101397148 YXOIBMXNDSVTHT-VWLOTQADSA-N 545.389 6.340 50 10 KKGE O=C(NNc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101488743 PSAFAGBHNZZADY-UHFFFAOYSA-N 519.359 5.166 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCCC(C)C 101802676 MRUURQVDNXVMHW-FHVNQGANSA-N 544.604 5.564 50 10 KKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cccc(Br)c2)cs1 102419863 NPRMEWLFGKJFNR-RAXLEYEMSA-N 518.314 6.674 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Cl)c1 103880743 XTGAHXADHUFBBN-KVSWJAHQSA-N 532.221 7.153 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 105056577 DGSKPBWOQWFLIW-QNVXDBMFSA-N 618.344 8.621 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 105910032 RTNBLBCWVLZNBA-RGEXLXHISA-N 536.531 7.416 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)sc2c1CCCC2 105913067 KTDLMNIFMMICPY-MEFGMAGPSA-N 598.728 7.869 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c1 128859148 QTXXYXLDJQYCJZ-JTQLQIEISA-N 568.748 7.282 50 10 KKGE COc1ccc(C=NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1COc1ccc(Cl)cc1Br 252622083 NOEHDWUFGYGJOJ-UHFFFAOYSA-N 589.273 7.071 50 10 KKGE CC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530114 FYWPUSMWQOIDNY-HHTXZZSTSA-N 535.651 9.113 50 10 KKGE biogenic CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 254300411 WKDOHWQEFXYCND-UHFFFAOYSA-N 528.638 5.773 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F 254310630 VYDOZGYPYOMBMX-UHFFFAOYSA-N 568.621 5.843 50 10 KKGE COc1cc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)c(Br)cc1OCc1ccc(F)cc1 254382536 DJXUWANXHNYDJK-UHFFFAOYSA-N 631.090 6.170 50 10 KKGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1NC(=S)NN=Cc1cc(Cl)cc(Cl)c1O 254405644 QBQNVEAXFMMJMX-UHFFFAOYSA-N 571.273 5.796 50 10 KKGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1cccs1 254702090 QSPKJYXTBIHPRK-UHFFFAOYSA-N 559.489 5.651 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccccc1Cl 256028541 TWOGNBLABYNGKS-UHFFFAOYSA-N 603.951 6.451 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2n1 616587889 SSTWVRZGZZZUQH-TYVGQMFQSA-N 910.142 10.084 50 10 KKGE CCc1cc(C)sc1[C@@H](Br)c1ccc(I)c(Br)c1 721595542 VOCNKYVAKCVVBP-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1 725430531 RCWGDGHIJFIMBX-UHFFFAOYSA-N 514.489 5.866 50 10 KKGE COc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1CSc1ccccn1 1083939415 NESVSSZZLDTATQ-UHFFFAOYSA-N 542.499 6.106 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1 1084012792 OHQVGAPVZDYVRP-UHFFFAOYSA-N 622.538 8.426 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 1084040322 XMMHNJHIROMGKT-WQRHYEAKSA-N 552.881 7.039 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 1084041820 DMPHESXRJXUBIX-UHFFFAOYSA-N 703.011 6.053 50 10 KKGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084206944 YRIINKNKNCLWDK-JCPPJRSHSA-N 520.073 7.327 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 1084220868 AHMBBHYXOWQTJZ-UHFFFAOYSA-N 511.357 5.425 50 10 KKGE CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1084308524 DNLCDGZONMTWQX-UHFFFAOYSA-N 500.382 5.232 50 10 KKGE CCOc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084412248 PKBIUAFQYKRSHM-UHFFFAOYSA-N 513.667 5.474 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1 1565517604 QZMSSIBCRBHYAR-UHFFFAOYSA-N 640.531 6.828 50 10 KKGE C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@H]1[C@H]2C[C@@H](O)[C@@]2(C)[C@@H]1CC[C@]2(C)CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1615950366 UVXRBEYIDJOLOR-PEJNAGMMSA-N 581.581 5.281 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865688944 FZOMWFPDLQIUBD-GDLZYMKVSA-N 541.051 6.398 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865689963 XVPUZBHJKSQMEZ-OAHLLOKOSA-N 541.711 5.239 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 1865690348 PCDGSGADKSIVPH-RUZDIDTESA-N 530.550 6.364 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865691572 VRACSYAXANPVHB-JOCHJYFZSA-N 557.876 6.256 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(OC)c1OC 1865693777 YTUJHJCBPALZJP-QHCPKHFHSA-N 514.969 5.437 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865695046 IKKKGDYIHFARFJ-AREMUKBSSA-N 504.606 5.819 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865695455 CUPLDKAPDWHNNA-NDEPHWFRSA-N 508.622 6.384 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865696821 QZHOCMXCLRXOAQ-MHZLTWQESA-N 500.643 6.070 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700610 YZCZWLGFVHJAJD-JOCHJYFZSA-N 504.377 5.527 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866668218 BETGXURXDPPYEV-RUZDIDTESA-N 517.010 5.915 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866739996 YGUHMOLFYUAOIK-KAYWLYCHSA-N 501.652 5.770 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](C)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867169670 OMNYYEYYXRJDFD-DWXRJYCRSA-N 536.053 5.698 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1 1868231446 HEJPLGIONOXUKA-GDLZYMKVSA-N 507.663 7.077 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc4[C@@H]3c3ccccc3)n2)cc1 1868320607 LYYJYPLMJSCHII-XIFFEERXSA-N 553.735 8.656 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H]1c1ccc(F)cc1 1868456097 JXVJGTYYHCNNJE-VWLOTQADSA-N 514.605 6.232 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1cccc(Cl)c1 1872727433 ASNOHSAMVYYGPN-VXLYETTFSA-N 517.969 6.048 50 10 KKGE Cl[C@@H](c1cc(I)sn1)c1cc(Br)ccc1OCc1ccccc1 1899880096 UGFXVPYXBYGRER-QGZVFWFLSA-N 520.617 6.417 50 10 KKGE Cl[C@@H](c1sc(Br)cc1Br)c1c(Br)cccc1Br 1922894363 LAUMXKCIMBYYKU-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(F)c2I)c1Br 1922912645 PGHKTRYVPHZHTD-VIFPVBQESA-N 568.869 6.810 50 10 KKGE CC(C)(C)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923049079 KMIWRLTWOWXXNB-NSHDSACASA-N 501.509 7.708 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCOc3ccccc32)c1Br 1924601090 VCEACDWVKQTYPU-GZMMTYOYSA-N 545.916 7.038 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 2025781307 AMZYKGBQVCYLRJ-WOKAVZEJSA-N 555.728 5.781 50 10 KKGE Cn1nc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1Cl 2048146193 HOPNSHGCMGPQET-GSVOUGTGSA-N 518.283 6.451 50 10 KKGE Cc1ccc(NC(SCC(=O)NCc2ccc(Cl)cc2)=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2053623233 NOUSZFOWMPKXGE-UHFFFAOYSA-N 525.461 6.137 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(I)cc2c1OCC2 2095700535 YAXAQZYGAWYLON-ZDUSSCGKSA-N 514.020 5.843 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCOC[C@H]1C2 2141471702 VDUJBUOZDZVIOT-SMOQUIODSA-N 538.299 6.443 50 10 KKGE FCCOc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2189495459 QPZKBXWGNCDLKI-LLVKDONJSA-N 507.444 6.712 50 10 KKGE COCCOC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2216398448 ZQYYYLXXYNADHU-ZCFIWIBFSA-N 515.887 5.005 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1Br 2225305153 GIHGOSSGHSKIQV-DKCNOQQISA-N 535.965 7.688 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1sccc1I 2233160698 XSFVDKDCQXJCRT-ZDUSSCGKSA-N 530.063 6.732 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)c(C)c1Br 2237632826 CUNBRPVQIHKRLZ-AWEZNQCLSA-N 545.960 7.754 50 10 KKGE Fc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2277959855 WMWAFEUGHHENRY-ZDUSSCGKSA-N 515.840 6.792 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(I)cc2c1OCC2 2282893937 MGTXYCFTWJVNGK-AWEZNQCLSA-N 514.503 5.298 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2293202192 UABNGOSGHYBRCU-UHFFFAOYSA-N 505.949 6.741 50 10 KKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1I 2295280217 YWBXZXOPBYZIRE-CYBMUJFWSA-N 574.876 6.504 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C(=O)OCC)cc3)C(=O)N2c2ccccc2)cc1 2296506990 OFVAYDRHGRBURF-MUUNZHRXSA-N 553.684 6.271 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OC)c1C 2296790087 NKEPPFZUBHQTHB-UHFFFAOYSA-N 521.576 5.226 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NN=CC(Br)=Cc1ccccc1 2296824183 XLTGJGWKKZHPMW-UHFFFAOYSA-N 552.885 6.218 50 10 KKGE CCCCCCCCCCOC(=O)C(C#N)=Cc1ccc(-c2ccc(C(=O)OCCCCCCCCCC)cc2)o1 2296944960 URBORYAYMWSVLN-UHFFFAOYSA-N 563.779 9.835 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=CC=Cc1cccc([N+](=O)[O-])c1 2297312849 RNCNBEVVCZIPBF-UHFFFAOYSA-N 562.012 5.077 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(F)cc1 2297491183 PPRWSXZCOSZQAT-UHFFFAOYSA-N 563.345 7.130 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1OC 2297491218 ZWEKXPGXZZXLCN-UHFFFAOYSA-N 548.661 6.724 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1 2297560647 VHMDIMUQJQSRJX-UHFFFAOYSA-N 578.098 7.626 50 10 KKGE Cc1c(Br)ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1C 2313548752 FBUSNIURMNAXHL-UHFFFAOYSA-N 600.513 8.248 50 10 KKGE Cn1nc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1Cl 2314440131 MSGNZNYMJOCLMW-OAHLLOKOSA-N 549.488 6.662 50 10 KKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610024 CDPQPUJWDLFIPY-UHFFFAOYSA-N 513.421 6.363 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 2314611533 WNDRPNDMYVAAEK-UHFFFAOYSA-N 526.612 6.106 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618725 SLAVJROEUQZDSR-UHFFFAOYSA-N 515.393 5.210 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 2314795661 FMRZJSBANPXVDQ-UHFFFAOYSA-N 585.495 5.286 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OC 2328835271 BSVBROSOOUCRAH-UHFFFAOYSA-N 505.700 6.360 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc2c1CC[C@H](C(C)(C)C)C2 2329699402 PSSKBZJCSOFCKJ-INIZCTEOSA-N 501.446 5.994 50 10 KKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331251009 GXRVGUKKEVSUFU-NRFANRHFSA-N 512.418 6.620 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331386818 QZUMLGRSERKHHU-NPMXOYFQSA-N 503.580 5.331 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2336083790 NJGUEENTBMAQFO-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE C[C@H]1CCC[C@@](CI)(OCc2cc(Br)cc(Br)c2)C1 2337095567 BYNVNWZTGFILOM-XHDPSFHLSA-N 502.028 6.112 50 10 KKGE Cc1csc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Br 2339683096 ZNPAZZFHUDAPDK-NSHDSACASA-N 535.896 7.276 50 10 KKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1cc(Br)c(Br)s1 2365989026 PXDCJISCOCBZAK-QMMMGPOBSA-N 502.091 5.933 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2380950062 SDGHTEVQDKAMTR-AWEZNQCLSA-N 501.509 7.843 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1sc2ccccc2c1Cl 9779683 YWQNKGKWWCTTGH-UHFFFAOYSA-N 508.608 5.464 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 33515847 KZGFYXKFCLNCBG-LTGZKZEYSA-N 504.546 6.238 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Cl)c(Cl)c1 33630467 HGWVKFQEVCIPLM-PXNMLYILSA-N 514.321 5.740 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 58889999 VHRGXJGVGIUOCW-HSMHNTNPSA-N 515.379 5.140 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC 59304037 OBOWSOGSWYCYBH-ZCTHSVRISA-N 502.014 6.667 50 10 KKGE CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59305261 XPCWMNABGLSYRN-LQKURTRISA-N 507.432 6.213 50 10 KKGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1OCC 96438571 CFAVOSZWZGZRSU-DHDCSXOGSA-N 507.406 5.419 50 10 KKGE Br[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 100058148 WXYNLXPSTFTJJC-RUOAZZEASA-N 603.553 7.079 50 10 KKGE in-vitro COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 100336578 LZAXCSHRZIGCAG-JAIQZWGSSA-N 558.803 5.756 50 10 KKGE COc1ccc(OC)c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 100869284 UUUZGVIXMJZJKX-JEBQAFNWSA-N 540.090 5.328 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241138 VJDAANRJJJLYII-NLTRVXJZSA-N 537.563 5.457 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243903 VWNKCIRAEPEIQL-WWTUHYLUSA-N 532.065 6.042 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244612 GKIGCPGZTQZALV-VHAPMWFVSA-N 524.429 6.067 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246435 MMJXUFRQBGYVJV-NNHPPCHPSA-N 501.583 5.462 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101332812 IIWSHYUDDKUSKH-LQKURTRISA-N 597.502 7.427 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101333638 GTLKDLDHYXTMJV-UUXIJQDSSA-N 534.660 6.344 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 101335020 NRXDZDDFCTWBHR-VUTHCHCSSA-N 528.612 6.121 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337637 MUKGFEMVTSKQSO-PRXCBEBOSA-N 570.693 7.380 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Cl)c3)C2=O)cc1 101340109 BQNALTMAPMSECB-WPWMEQJKSA-N 579.056 6.045 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101368069 SBPMLFUHFXWOJS-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 101374061 JZAZHGSZQMBLES-WJOKGBTCSA-N 542.632 6.084 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 101375525 DMYRPBJCQHFEPH-XIFFEERXSA-N 570.686 6.864 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)cc5)ccc43)cc2)cc1 101378500 GNBUIEJCFOABCZ-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379776 IVKDOTGKRGMULT-PMERELPUSA-N 583.984 6.030 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101380029 FSNGMEVWYJLURL-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)ccc1Cl 101380924 YKWWCEWEFURFHX-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385155 NGIOUGHELLBOEV-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)oc2c1C 101391527 ZUDVPLCZDMCJMN-DEOSSOPVSA-N 529.390 6.558 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1Cl 101391964 UQVOIBJJJSHQGO-NRFANRHFSA-N 536.198 6.746 50 10 KKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 102437234 VUVZBWSZJVMJKM-GPSDDGMOSA-N 534.435 5.523 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)ccc1O 102620460 ZTJYZQAWKXPNML-ATVHPVEESA-N 508.024 6.946 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102933168 JNWXIPAFNZJGGR-UDWIEESQSA-N 562.807 7.289 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 103877717 NPRXFRULLHTYCT-KCSSXMTESA-N 523.976 6.828 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C)cc1 103884248 BTNUWEUWRPDNCQ-KOEQRZSOSA-N 560.492 5.991 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cc(Br)cc2F)cc1Br 128771333 DDAWWYXTWFZTDN-CQSZACIVSA-N 533.830 7.045 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 150461496 GLXSNSHBRJRMPR-HKBQPEDESA-N 665.957 8.461 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1 164638529 WCXJFXNHXFWUHE-XAZZYMPDSA-N 704.156 8.059 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 164646435 OBKXFLHHNPRYIE-ODNPBWNPSA-N 677.824 8.974 50 10 KKGE COC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 207212574 NNCUXEYCPYHOSU-ZVCMRZAHSA-N 594.865 5.761 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1I 232343452 NKPPSOSRSLBWQA-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Brc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1 232476328 PKRIDNAMNSEWDT-CQSZACIVSA-N 544.850 6.495 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4CS3(=O)=O)CCC[C@@]21C 253387386 YAFPKHBUEBAVRS-APKBHUDSSA-N 508.841 6.568 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2OCC)cc1 254300372 UUXHJGWSZRNOIG-UHFFFAOYSA-N 587.654 5.268 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(C=NNC(=O)c4ccc(NC(=O)c5cccc(C)c5)cc4)cc3)cc2)c1 254480621 AAEROSVPRCNTLX-UHFFFAOYSA-N 636.712 6.336 50 10 KKGE CC(/C=C/c1ccccc1)=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254740217 OLBLEKPEMHQGKI-HEJUUFNPSA-N 506.262 5.931 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H]([C@@H]4[C@@H]3[C@@H]3[C@H]4[C@@]4(c5ccccc5)C(=O)[C@@]3(c3ccccc3)C(c3ccncc3)=C4c3ccncc3)[C@H]12 261493279 NMQSISRRZCVOFH-NZGAUHQXSA-N 588.663 5.470 50 10 KKGE Brc1cc([C@H](Br)c2ccccc2OCc2ccccc2)sc1Br 309980252 UMJRRNQUCLHFHW-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 504234541 SJOJREZYJCSYQM-DYXWJJEUSA-N 504.933 7.587 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1scc(Br)c1Br 705410666 UDZPPNNRNGQMNN-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)sc1Cl 721584379 DIUAPDGQQCZWSR-NSHDSACASA-N 506.428 6.561 50 10 KKGE O=C(NC[C@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725239186 ZSXXSDMUMKOBKA-NLFFAJNJSA-N 594.055 5.855 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 725427087 MBXALNBYZHKCNQ-UHFFFAOYSA-N 535.305 6.003 50 10 KKGE COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)[C@@H](Br)C[C@]34C)[C@@H]2C1 1078018317 JYZNDQLCHFXCEM-OXCFQFRSSA-N 561.601 7.083 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083944033 CORIFXSRTQOMCO-JOCHJYFZSA-N 566.279 6.307 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cccc(Br)c2)cc1)c1cccc(Cl)c1Cl 1084018197 LPPLQCXNRNSXJM-UHFFFAOYSA-N 555.281 5.486 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1 1084036290 KEUZCYSEOWNIGF-UHFFFAOYSA-N 543.645 5.010 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl 1084105269 XTYYBGCIQYEULX-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc(Cl)cc3)c2C)c1 1084286293 RFIZSRFJIXEDRL-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE CCOc1ccc(C(C)=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084326898 WHRKANGOJHYOKS-UHFFFAOYSA-N 534.465 5.436 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(C)c1 1084333729 RHGBTQJOXVBFKY-YBFXNURJSA-N 560.275 7.588 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084491737 GTYWOPTXUFKPOS-UHFFFAOYSA-N 617.724 5.336 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747403 HKEHZTHOJSPYEX-UHFFFAOYSA-N 507.373 6.738 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2 1772749438 BDBZGSNIBNTPJY-UHFFFAOYSA-N 509.635 6.098 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693241 MNQKUSDWGJPCPX-YTTGMZPUSA-N 568.677 7.021 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699715 APRWYBVUNMLJCN-VWLOTQADSA-N 542.426 6.613 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700793 DMZKPEIFWOCPMG-MHZLTWQESA-N 511.025 6.584 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701133 MPQHGESYMZOMOY-MHZLTWQESA-N 512.997 5.699 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710948 MEUGJVXMPLJGKC-HSZRJFAPSA-N 536.941 6.497 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1865714988 SHKCUFGRBIDADH-NRFANRHFSA-N 503.787 6.173 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c2ccccc2)cc1 1866601943 XRHWKCDHQIZAEV-LJAQVGFWSA-N 572.756 6.158 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866971225 KQDCSJAUNJFZSY-CLJLJLNGSA-N 521.683 6.195 50 10 KKGE CC[C@@H](NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867209092 NNDDBAGDPZICRS-TZIWHRDSSA-N 518.477 5.694 50 10 KKGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)[nH]o1 1868414107 IYIOXMLWFGQWME-NRFANRHFSA-N 532.029 5.440 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NCc3ccccc3)nc(-c3cccnc3)n2)cc1 1868566175 VTZWJWPZUOXSCQ-DEOSSOPVSA-N 507.623 5.141 50 10 KKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 1872791943 XBTOHANGVMNQOA-XDHOZWIPSA-N 515.448 7.744 50 10 KKGE Brc1cnccc1C[C@@H](Br)c1cc(I)ccc1Br 1924053982 WAALIQSYRZYXIN-GFCCVEGCSA-N 545.838 5.890 50 10 KKGE Cc1c(F)cccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924605082 MCNKXMFIAJPSHK-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Cl[C@@H](Cc1ccccc1Br)c1c(Br)sc(Br)c1Br 1924608185 FDTHQLUCGBYJAR-QMMMGPOBSA-N 538.324 7.321 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c1C 1951013969 CEEDEAAUEUDEQR-SECBINFHSA-N 523.935 7.198 50 10 KKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995285846 LPBJTBYPGJETDB-ZDUSSCGKSA-N 506.609 5.714 50 10 KKGE ClC1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2025779154 DFOLXVYMSRVJGB-ZROIKLNDSA-N 530.707 7.034 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=Cc3ccc(OC(=O)c4cccnc4)cc3)c2C)c1 2059865047 NFHFIXNYRGQBAB-UHFFFAOYSA-N 563.566 5.071 50 10 KKGE Cc1cc(C)c([S@](=O)[C@H](c2ccccc2)[C@@H](NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)c(C)c1 2065314095 SXZACRBACNWVKT-PSUBBFHXSA-N 651.812 8.390 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C/[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1 2065314118 FZCIIGLMQMDXCW-VHQBXXFISA-N 549.784 6.743 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 2072301190 UPTHMBQYGRUYSQ-ZCFIWIBFSA-N 542.316 6.215 50 10 KKGE CO[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471170 OTIXOGCYIJHKSN-LEAAEXRXSA-N 540.315 6.832 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2202351108 HLNSARDTIRCTSB-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Cc1c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)nn1C 2206394923 KITZCLDDGJQRKT-NSHDSACASA-N 615.183 6.869 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206400676 SCEVFADZVJUZOT-LLVKDONJSA-N 615.154 8.013 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)c(Cl)c1Cl 2217611358 SBOPHIYDMISJQL-VIFPVBQESA-N 517.828 6.799 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(Br)cccc1Br 2218811393 XSIWFCNOKVMRIT-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)c(C)c1Br 2220144070 GAQYVPAPZKLRSH-LBPRGKRZSA-N 518.894 6.532 50 10 KKGE Cc1cccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1I 2238083282 XBRWAVKQXXKDBR-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2250931363 KSOQBNRDOASABF-UPIMIWRCSA-N 509.883 5.898 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)sn2)c(Br)c1Cl 2256321514 QYKHYCZRXWJZJQ-SECBINFHSA-N 523.415 5.657 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263484158 SNVWADVWPSRJKF-GOSISDBHSA-N 534.086 5.193 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1scc(Br)c1Br 2272737786 FWAQQUIRFFFQAI-SECBINFHSA-N 604.728 7.561 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)c(C)c1F 2279158859 NONLRTGMVZJTMN-CQSZACIVSA-N 532.416 6.900 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2295838585 AYRZONYWERQOEZ-UHFFFAOYSA-N 556.666 6.901 50 10 KKGE CCCCCOc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)cc2)cc1 2297110577 ZEYWJXLYZIEYKW-WJOKGBTCSA-N 512.694 8.154 50 10 KKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2297465400 QNEWRICRRQTPNJ-UHFFFAOYSA-N 538.378 7.170 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 2313567654 JSNSFKFJJIWXCK-UHFFFAOYSA-N 654.673 6.982 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 2313567793 KWSBSORTFNCQQV-UHFFFAOYSA-N 530.455 7.834 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571174 PBTIDAADHUPXKB-UHFFFAOYSA-N 659.987 8.406 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500464 NPGSAPCECWQUCW-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592117 MDCLZJWZRRHNQD-XMMPIXPASA-N 588.007 6.441 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314593684 RCAKRSFMSRXGMW-NDEPHWFRSA-N 509.675 6.657 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314610151 DBIYNDDPDFSVDF-OAQYLSRUSA-N 526.596 5.655 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C(C)=Cc2ccccc2Cl)C(=O)Nc2ccc(SC#N)cc2)cc1 2330497991 KGMGMFVELLEOFH-AREMUKBSSA-N 534.037 5.608 50 10 KKGE CCc1nn(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2336082949 FXADXQWBJIHOOZ-GOSISDBHSA-N 543.097 6.571 50 10 KKGE BrCc1ccc(OCc2ccc(I)c(Br)c2)c(Br)c1 2349802660 CEUZOKFOOGVWDD-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)cc(Br)c1 2365187987 GPWGBETVYACKLP-CYBMUJFWSA-N 550.285 7.512 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365195279 AGXIVYCDJWCTGT-CYBMUJFWSA-N 576.867 7.056 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCCCC2)c(I)c1 2366715647 RNQYUNUZDFXRBD-UHFFFAOYSA-N 534.501 6.844 50 10 KKGE BrCC1(COCc2ccc(I)c(Br)c2)CCCCCC1 2377641956 LVXGWXZZNLXEIW-UHFFFAOYSA-N 516.055 6.306 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(=O)OCC)c1C 2367759 XIXOGKLPVZZCKM-GXDHUFHOSA-N 536.462 6.817 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 9231605 INGAVTHRBQXBMI-UHFFFAOYSA-N 518.235 5.265 50 10 KKGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(-c2ccccc2)cc1 12483495 UMSYMTDYZDTQCP-QQXSKIMKSA-N 516.233 6.106 50 10 KKGE N#C/C(=C/c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1)c1nn(-c2ccccc2)c(N)c1C#N 33355068 SDXMFGAVBQTGHI-MPKYGIEOSA-N 544.582 5.094 50 10 KKGE CCCc1nc(N2CCCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378590 FRVLLNYVXZCAAX-VWLOTQADSA-N 521.040 5.234 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650720 CGHSRUCRGQWSIB-WRONEBCDSA-N 512.606 6.190 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38658184 LZPXLCZVSLYIMO-HHHXNRCGSA-N 502.954 5.416 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 38683809 JHFBNHJTTWNAMF-GDLZYMKVSA-N 514.578 5.385 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684678 LACRASIALMMNGR-LJAQVGFWSA-N 512.606 6.336 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914966 UYRDMXWEPNBJLR-NDEPHWFRSA-N 515.094 5.674 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccccc1OCc1ccccc1 100061934 WVXIFEIHQXETHX-WKULSOCRSA-N 568.265 6.473 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCOc4ccccc4)cc3)cc2)cc1 100157835 KSFASDFICZQPNE-UHFFFAOYSA-N 551.643 5.769 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@@H](C)CC 100186566 MJQUWXSUKMFDNN-SFHVURJKSA-N 564.546 5.636 50 10 KKGE C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Br)cc2)s1 100919859 UPXOUFSRSMQFHF-RZKQZQCBSA-N 560.498 7.658 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C1 101014181 NQJVJZDNONBYCG-QQJOZCOBSA-N 562.699 6.146 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OC)cc1 101241733 LFCWSMNLCZTJHM-SEDGDDRASA-N 521.948 5.096 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101293392 DEVRAYIVQRVEQT-YTTGMZPUSA-N 578.596 6.415 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101333101 YXGDSJAEZRLOFM-NTRYICDMSA-N 506.606 5.564 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C2=O)cc1 101340162 VXOOTFHTOJHCRO-UZWMFBFFSA-N 586.692 6.418 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccc(Br)c2)cs1 101345753 IPZCUKDOMMZRDR-QINSGFPZSA-N 544.481 5.806 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101364927 QGEDIKJSPLJLIJ-FGEOKRJGSA-N 532.210 7.137 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379037 PIEKJPKGEKWJEK-PMERELPUSA-N 556.977 6.261 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385317 MZRHQONAJHEGBO-MGBGTMOVSA-N 562.622 6.094 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389718 KEGWEKCNFNYBGA-XIFFEERXSA-N 580.612 6.178 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101394754 LHKZKZVKIFIUQM-HHHXNRCGSA-N 623.558 8.613 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 101395669 UOIHVXGNYDRFJR-HKBQPEDESA-N 566.654 7.455 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 101397217 CPTKWKSHBFNZCX-SSEXGKCCSA-N 554.618 7.667 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H]5COc6ccccc6O5)ccc43)c2)cc1 101398211 VRLFMNMCZKGGBS-FIRIVFDPSA-N 546.579 5.538 50 10 KKGE CCN1CCN(c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 103110196 HTQSDOGRASMXFN-UHSQPCAPSA-N 567.155 5.103 50 10 KKGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 104768759 YMJHCCVBCCZXPO-OGLMXYFKSA-N 550.482 5.066 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150429979 NFPPHVJUZZQHQN-NMRUTFGKSA-N 639.148 8.032 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 150443033 PXLQDDCJMNCIIG-PMERELPUSA-N 635.475 7.556 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCCC(C)C)c(OC)c1 206954630 ULANDCKKWLVSMR-PXMMPGBVSA-N 558.631 5.954 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 208279794 MHNHIGWCUNOEFZ-PMUGGPHNSA-N 578.822 7.136 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@]23C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 212163877 WDTXWBZIHDMZAC-NMHFGXCOSA-N 544.937 9.124 50 10 KKGE C[Si](C)(C)Oc1cc2c(cc1O[Si](C)(C)C)[C@@H]1c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3OC[C@@]1(O[Si](C)(C)C)C2 230601734 CFAQAGCVXBLKID-IZEXYCQBSA-N 663.197 9.212 50 10 KKGE CCOc1cc(C=NNC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccccc1 252605845 GNKWAOFNKFRFCM-UHFFFAOYSA-N 525.399 5.213 50 10 KKGE O=C(NN=Cc1cccc(I)c1)c1ccc(NC(=O)c2ccccc2Br)cc1 252642515 ZMQVWGZZSAIGPG-UHFFFAOYSA-N 548.178 5.070 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@H](CC[C@@H]5[C@@]6(C)C[C@H](O)[C@@H](Br)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3 253388571 KJMGDBGFBNCRQT-WWRHLHDTSA-N 521.624 7.611 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254287784 AEXHUBZKBHDHQS-UHFFFAOYSA-N 580.810 9.025 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O 254500199 ITZRZYPHPIHNKH-UHFFFAOYSA-N 504.615 5.604 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254703746 MVBHEKVHCYLROD-UHFFFAOYSA-N 591.737 7.275 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2OC)cc1 254765641 UCFVZMKQQSFZFT-UHFFFAOYSA-N 504.583 5.274 50 10 KKGE Cc1cccc(C(=O)N[C@H](Oc2ccc(C=NNC(=O)c3ccccc3)cc2)C(Cl)(Cl)Cl)c1 254821873 NEAMJQKJDXLBEE-HSZRJFAPSA-N 504.801 5.264 50 10 KKGE C[Si](C)(C)Oc1ccc([C@@H]2[C@H](CC[C@@H](O[Si](C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 255980834 JHMCCBLFRSWDAL-ZGIBFIJWSA-N 553.798 8.256 50 10 KKGE COc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c(OC)c1 256022817 KXMVQUSBCYXMKV-DOPJRALCSA-N 540.090 5.328 50 10 KKGE O=C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl)OCc1ccccc1 306675678 TYHXUSZTTOPURF-AREMUKBSSA-N 521.013 5.756 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 504584693 BEBBEBKQPQRPHS-QPWMFTQFSA-N 584.789 6.636 50 10 KKGE C/C(=N/NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408907 RWWFQDLUYGDPCH-NCXPRYMASA-N 574.681 5.253 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591249 XIJUVZWMRLQMRZ-LQMDONBDSA-N 834.994 7.822 50 10 KKGE Brc1cc([C@H](Br)c2scc(Br)c2Br)sc1Br 705421068 WTFQXBRRCQSLGL-ZETCQYMHSA-N 574.777 7.344 50 10 KKGE Brc1cc([C@@H](Br)c2ccc3c(c2)OCCO3)ccc1I 721572680 MPRMYBJFACCDLM-OAHLLOKOSA-N 509.963 5.309 50 10 KKGE CC[C@@H](C)c1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721574173 VOCGQJGBRFWDIE-DIFFPNOSSA-N 508.035 7.052 50 10 KKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(C)cc1Cl 721615055 QTNVUIZFBXLKNK-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Fc1cccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1I 721707569 YXYGPTGCLRTOKG-CYBMUJFWSA-N 514.503 5.298 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccncc2)CC1 725238467 UDNBTXBUCAYWRM-DEOSSOPVSA-N 536.019 5.956 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1 725391622 SMAVHHWXOKLCJR-VWLOTQADSA-N 566.452 5.271 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)cc1 725400232 LRXLGNDUCKZTJA-UHFFFAOYSA-N 690.063 7.978 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1OC13Oc4c(cccc4P(c4ccccc4C)c4ccccc4C)C[C@H]1CCC[C@@H]3C2 936069277 TZSIXTZWBQWSIB-OFSSCWCDSA-N 716.842 9.119 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 1081086675 NDJAXBLYCJOETR-UHFFFAOYSA-N 500.576 5.106 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 1083988388 PHGSXJLBSVGENP-GDLZYMKVSA-N 605.529 6.943 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084057078 YZLNKALSNXUQMR-FYJGNVAPSA-N 693.298 5.870 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)cc1C 1084120423 WRKACPZILDAELL-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084155414 KFZFLMRNAWYDEI-SANMLTNESA-N 595.490 5.848 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 1084334434 NHLRAJHIYBPKJW-UDWIEESQSA-N 509.375 6.420 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 1084383814 GMGPSNMTMZFJTJ-VGOFMYFVSA-N 684.053 5.075 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl 1084492411 CQWOAAUZKDPILF-SANMLTNESA-N 507.030 6.010 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084555233 DNHGDLARUSXLOB-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1084591159 YBPNZQWMUNKUDU-UHFFFAOYSA-N 553.757 7.047 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1084605694 ACHGIZJYRQXRCA-UHFFFAOYSA-N 589.717 6.733 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(C)cc1 1084624790 WXRJHCMYALWLGQ-UHFFFAOYSA-N 504.439 5.422 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccccc1O 1565517629 BDRQKRSRDKAEDL-JGCGQSQUSA-N 616.678 6.119 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614631193 VCVZQDRDNVBQML-RHSMWYFYSA-N 500.720 5.035 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CO)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773639 WBUHPAHBCMHESO-ZZPWDXKASA-N 575.039 9.815 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1772754900 MBTZBXMPFHYJQZ-UHFFFAOYSA-N 606.984 7.990 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1772754904 OUZCOQRDNYEIPS-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](Cl)[C@H](Cl)[C@@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 1848435182 OGRRKRDGTDQHQF-CZPNZAHVSA-N 579.971 6.375 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682018 DDWQJPSDNQMEPI-AREMUKBSSA-N 508.578 5.156 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683581 MXMPNWJVDGCMRH-MHZLTWQESA-N 505.622 5.508 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865688447 SEAZXWJIEJRGQA-XMMPIXPASA-N 527.452 6.537 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865691022 HFKVBZXHIIUTBS-AREMUKBSSA-N 527.024 6.598 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865691875 CZOFJNOIZQZQIC-QGZVFWFLSA-N 543.384 5.870 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccccc1 1865693032 HIEKXSVLPZJURR-SSEXGKCCSA-N 540.623 6.735 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccccc3Cl)cc2)cc1 1865693138 MEHLOUBRQHGXIY-PMERELPUSA-N 559.069 7.357 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700903 HIUPCXKKRNQBLT-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703356 UQAKKJDUMLUTTJ-AREMUKBSSA-N 565.888 7.582 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704242 RASWDTYJQFPITD-MUUNZHRXSA-N 525.052 6.561 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708500 YHAYXXKBAQUZSJ-DEOSSOPVSA-N 549.414 6.090 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865708927 JJPGFAPHFJLYJB-MHZLTWQESA-N 564.086 5.342 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711655 DXEBWXGSRJKVGE-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3ccc(Cl)cc3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866667373 NZPCMBFBISMANV-MHZLTWQESA-N 589.073 5.711 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867003619 IPPKQAQZIMPUTH-FQLXRVMXSA-N 576.118 6.478 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)n1 1868253494 JFITXTIFIUEDGA-UHFFFAOYSA-N 538.677 6.101 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2c1 1872728793 ULJFYAXYMNMLHY-VCHYOVAHSA-N 506.345 6.072 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750584 HLHFCDDIBJIFIT-MQPOEVEDSA-N 508.043 6.615 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872784310 JUSAWDGGOHKWAJ-CXUHLZMHSA-N 519.411 7.493 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872792596 HLPVEUQRCXLZLX-SRZZPIQSSA-N 525.512 8.058 50 10 KKGE CN1C(=O)[C@@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)N=C(c2ccccc2F)c2ccccc21 1887621364 QLEBOUCHGPQESV-OAQYLSRUSA-N 528.478 6.445 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)cc(Br)c2)c1Br 1922889996 ZXMSVRFBRYAATO-JTQLQIEISA-N 582.775 7.591 50 10 KKGE CC(C)(C)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924608650 LHCWOJKBPHJYIB-LBPRGKRZSA-N 501.509 7.661 50 10 KKGE C[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924614783 RBAASUMLMDJJDP-JVZYCSMKSA-N 525.926 6.675 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 1943033481 MMUWFGIOQBWLJH-SNVBAGLBSA-N 523.935 7.144 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)ccc1I 1950207647 JBDXLNYBZICOPB-NSHDSACASA-N 550.879 6.670 50 10 KKGE Cc1nc([C@H](Br)c2cc(Br)ccc2Br)c(Br)s1 2003562351 IJHSGNBVQIMORM-SECBINFHSA-N 504.867 6.223 50 10 KKGE C[C@@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2017755369 NOGLOSGIZMPQTD-ZNBBGQGMSA-N 509.883 6.039 50 10 KKGE CN([C@@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080759512 XBSXYNDYLLPLCL-BAOFOTJISA-N 535.693 7.081 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(Cl)c1Cl 2138626930 CBMSGHIXTLVLPE-QMMMGPOBSA-N 509.872 7.073 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(I)c(C)c2)s1 2142146765 ZXVBNBTWTRUYSE-CYBMUJFWSA-N 516.036 6.054 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1 2179251227 BTWUWLYFKVXAAJ-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(F)cc1I 2203829435 JUPLBBVDHGDCDM-CQSZACIVSA-N 513.970 5.994 50 10 KKGE CCOC1CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396800 BCSAFVXUSMPLKE-AMDVSUOASA-N 598.793 7.378 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2c(Br)cccc2Br)c1Br 2206399746 LDSTYKLFEUAYKX-ZDUSSCGKSA-N 720.511 8.746 50 10 KKGE Brc1ccc([C@H](Br)Cc2nc3ccccc3o2)c(I)c1 2207269998 YVNGAHDOVJMIIT-LLVKDONJSA-N 506.963 5.874 50 10 KKGE CO[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2220513355 JNQIZEMRFBBKDJ-LWELHUNNSA-N 570.739 6.598 50 10 KKGE O=C(Nc1ccccc1CCBr)c1cc(I)ccc1Br 2238842106 VKIWQTHIZXWIHD-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2270428523 BPXICDOEKSOKGH-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CCCCCCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)OCCCCCCC)c2ccccc21 2293175812 YIGKKRFQVBXTJG-UHFFFAOYSA-N 560.867 10.849 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Cl)cccc1Br 2295278918 IKCYDVGMWFUVRQ-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc3sc(Br)cc3s2)c1 2295412374 WDMQAUAIRIDZFB-JTQLQIEISA-N 559.968 7.929 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 2295459614 FXQXDZROSMIGAQ-UHFFFAOYSA-N 525.786 6.014 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C[C@H](C)O1 2296544447 GRCHLKQVNWMTCX-VXKWHMMOSA-N 581.723 6.011 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 2296544498 PUUARZGUCWRNGH-UHFFFAOYSA-N 531.366 5.112 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 2297327684 LLXUQYRQONCOHA-UHFFFAOYSA-N 524.602 6.708 50 10 KKGE CC(=O)NC(=C(Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297467164 UMLPCGBTOUVKAW-UHFFFAOYSA-O 523.445 6.928 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571099 NHSNACWZTCURMZ-UHFFFAOYSA-N 526.634 8.078 50 10 KKGE COC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571585 ZTZZETIOHFXZGB-UHFFFAOYSA-N 657.029 5.300 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 2313631718 UQWJCGZNFQYARL-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314490074 XTZXMFKHRFJXJB-UHFFFAOYSA-N 524.907 7.913 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314618485 OJXMTJYXIWMALI-AREMUKBSSA-N 522.605 5.099 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314619583 BWOHDKCGGZEWGM-UHFFFAOYSA-N 516.956 5.859 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634807 NNJGHPPFSNFJQV-PMERELPUSA-N 508.618 6.610 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634852 VHRQYVJHIXSRHB-NDEPHWFRSA-N 500.982 6.356 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333874 KNKGHIXQHOLLMU-UHFFFAOYSA-N 521.554 5.327 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331351205 ZOIANAGRFOLJKZ-CQSZACIVSA-N 503.451 7.683 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2ccc(Cl)cc2Cl)n1 2331362667 LGENXVGNXUTUDX-UHFFFAOYSA-N 502.206 7.304 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCCCc1ccccc1 2331452229 VRVCHWNMEYVDAE-UHFFFAOYSA-N 510.615 6.666 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c(C)c1C 2331468324 YMEWBJUKQUXJEF-UHFFFAOYSA-N 520.246 6.730 50 10 KKGE BrCC(CBr)(Cc1nc(Br)cs1)c1cccc(Br)c1 2342917695 IIRFYIRSVXXEOF-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Clc1ccc([C@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2349843434 VPIWFRCEHPXJFE-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)n(C)n2)c1Br 2365191775 RBVPRYGRENSFLR-NSHDSACASA-N 531.868 5.509 50 10 KKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1cc(Br)ccc1I 2365858370 UEDDCQULZBCARH-ZDUSSCGKSA-N 517.043 5.229 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790660 QZFNRQYYTCSLSI-QPQMVVSWSA-N 508.430 6.367 50 10 KKGE O=C(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 3230313 IOWNCXZHUVJBQS-UHFFFAOYSA-N 552.681 6.783 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 34896281 HLAMYPODVHXWJG-SVFWZWDPSA-N 515.532 5.333 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N1CCOCC1 35446044 QOQIQSWUUWCYFZ-ULJHMMPZSA-N 525.008 5.537 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38650827 AQFFDTSLSHDQTM-XRHLQHRESA-N 502.542 5.596 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 38650939 LSXXJBCNRJHCFZ-SSEXGKCCSA-N 518.569 6.102 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651790 XYVSJZOYAYRZBD-PUAOIOHZSA-N 519.395 5.603 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38660258 HLEHULOCNWQFHQ-SSEXGKCCSA-N 528.605 5.775 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38683028 CXICBLVUZXUDRH-MUUNZHRXSA-N 518.997 6.030 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38683794 LWWMMHRTDNGQDX-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38686141 SQNAMQDXBLKMOT-GDJIYFAZSA-N 516.569 5.986 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686469 MUQKRESQDOSWGT-PMERELPUSA-N 522.532 5.607 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)oc2c1 38701132 VXDNQUXTFCIFST-LJAQVGFWSA-N 522.601 6.912 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 39858871 LJMDXOBXNVBTKX-JWGURIENSA-N 522.561 5.134 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59157457 DQQZBDOSDUJNRX-GIVZKRSOSA-N 522.468 5.181 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 100234852 AEQUQYDJGGLQHE-ABZYITTCSA-N 529.406 5.530 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 101034181 MYRBZRMBAVXUKG-HAVVHWLPSA-N 559.492 8.643 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065573 OHKOWUMCCUUWOD-WPWMEQJKSA-N 536.209 6.347 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245232 KJUQDOQBFUMPAZ-IDJUBOEBSA-N 552.483 6.766 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101367844 GTVBNRADNSBSPN-BGOLNKOXSA-N 556.659 6.589 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369267 VPABGWWBBMMCRV-VTXRXXNCSA-N 555.417 7.623 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 101378195 DJGUHQVFCYDVJH-AREMUKBSSA-N 533.422 6.455 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379312 KVYMWBJHOXDDKN-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 101381791 UUSXHUDVUVSSHY-JGCGQSQUSA-N 546.623 6.882 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101386806 PQKSAOQZYYKLTG-YTTGMZPUSA-N 615.057 6.886 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc(OC)c1OC 101393533 VTAKHJSURAIVQI-AREMUKBSSA-N 526.545 5.513 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 101399575 VKZMKRKPCBYZLN-CJJUWATJSA-N 584.688 7.533 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 101727283 KCMMUFZRBRKFEN-XODNFHPESA-N 528.486 6.938 50 10 KKGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2cccc(Br)c2)cs1 102419392 IBCVEEMVVUYDHP-KAMYIIQDSA-N 500.374 5.353 50 10 KKGE CC(C)c1ccc(N/C(SCC(=O)N2CCc3ccccc32)=C(/C#N)c2nc3ccccc3s2)cc1 102930981 AZOYAKVHPXEJOY-WEMUOSSPSA-N 510.688 7.046 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 103649487 BVOHRSPLEHYJPB-MFOYZWKCSA-N 535.975 6.749 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccccc1[N+](=O)[O-] 103747994 AHTYVKTXTMZXCR-IPPBACCNSA-N 524.411 6.231 50 10 KKGE COc1ccc(Br)cc1/C=N/NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 104768753 BUSFZMNGLJIYTE-TWKHWXDSSA-N 578.536 5.846 50 10 KKGE COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(SSc3ccc(N4C(=O)c5ccc(C(=O)OC)cc5C4=O)cc3)cc1)C2=O 150407736 MWRICENFEVFBLX-UHFFFAOYSA-N 624.652 5.660 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 150420092 NXGPQJJYDCMLHY-GPMZVODXSA-N 652.704 5.002 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1F 150484903 OPNGJXALQKUINP-RUZDIDTESA-N 642.508 6.311 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1sc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)sc2ccccc12 196000388 JKENSJBSFFAUCP-UHFFFAOYSA-N 666.744 9.062 50 10 KKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)OCC 206986999 CKIPGOVFKNAABT-UYRXBGFRSA-N 505.552 5.834 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214291326 UXHFYSXKCPPHBH-FSGOGVSDSA-N 576.628 5.886 50 10 KKGE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1c(C[C@@H](Br)CBr)cc2c(C)cc(=O)oc2c1C 229919554 UZXYTNAFPQAFFR-GANZUKCXSA-N 657.421 5.718 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 233780231 IOTHXPOPVRGQIV-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253568631 LLQHSOPHBOTTEQ-VTNSRFBWSA-N 571.110 5.619 50 10 KKGE CC(=NNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254387317 UISLMHMFAKLMBC-UHFFFAOYSA-N 532.243 5.848 50 10 KKGE CCCCCCCCCCCCCCCCS(=O)(=O)NN=c1cc(-c2ccccc2)n(C)c2ccc(S(=O)(=O)F)cc12 254394560 BQSINIVUEUZEMC-UHFFFAOYSA-N 619.869 7.720 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Cl)cc2Br)c1Br 312905351 YTFDGNDGPDOKHG-VIFPVBQESA-N 513.398 7.430 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1Cl 1083944473 VULOVSXMJLBDNK-KGENOOAVSA-N 541.862 7.899 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)cc1 1084024337 WQNBWIOSUFIXLH-UHFFFAOYSA-N 554.609 5.614 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 1084157544 QFJYAPUVBSCUGP-JOCHJYFZSA-N 583.253 6.141 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084191034 PILUJPIMJTXBNE-UHFFFAOYSA-N 711.738 5.753 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(F)cc1 1084291162 AAEHEBQHLNJJRT-UHFFFAOYSA-N 544.320 5.528 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084301067 NXKLDEXFDRCZTB-UHFFFAOYSA-N 618.713 7.021 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccs1 1084347200 HINBDCFQHCUJJX-UHFFFAOYSA-N 528.653 6.269 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1Br 1084530695 DZZVZFMVJFBAJV-UHFFFAOYSA-N 557.069 6.861 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084565993 GSHFINPHFVKGSN-VCHYOVAHSA-N 590.257 6.977 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084576663 OJYFBGWDDNYDGQ-GIJQJNRQSA-N 546.248 7.198 50 10 KKGE O=C(NN=Cc1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)C(c1ccccc1)c1ccccc1 1772719946 ZEQLKSPHLLTSOL-UHFFFAOYSA-N 540.870 5.656 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683814 ITBTUHPWFSBTFN-JOCHJYFZSA-N 515.367 5.234 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OCC 1865687466 RRTBZICHTXUPCE-RUZDIDTESA-N 507.034 6.274 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865688176 MESHHFZYCASTGE-AREMUKBSSA-N 504.977 6.573 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OCC 1865688277 OJECIOATJGHHMB-VWLOTQADSA-N 507.034 5.943 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689397 REHYAODPDNTOJR-XMMPIXPASA-N 573.447 5.610 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690255 MSUYKDRXVZZCPW-LJAQVGFWSA-N 526.596 6.345 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865691976 GRWNSBLPDRHFLR-FQEVSTJZSA-N 577.401 6.449 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865693269 TZPXSUGDHGHSJE-RUZDIDTESA-N 565.512 6.442 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695592 QDSDJNQLLAAHIN-RUZDIDTESA-N 517.416 6.539 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1O 1865696694 QGSGMEPHHZPFEG-QFIPXVFZSA-N 547.384 5.432 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701271 RBEYYKNHJZXWSV-MHZLTWQESA-N 545.014 6.092 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701413 VDFSFONEQBZRAQ-SANMLTNESA-N 517.416 6.344 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703238 QYOHHXOWWQJMDI-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1865703607 CKOMFNGYBWKCHZ-MHZLTWQESA-N 563.441 6.302 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704008 KOXHHVAQLLTHOF-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865705428 VTQMGNOCARSGOL-GOSISDBHSA-N 509.315 6.203 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865708665 CAYYRIMZZSENFC-VWLOTQADSA-N 531.443 6.694 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709275 SQMXLMJPQJTHGF-LJAQVGFWSA-N 557.695 5.387 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711084 PKBDROKQJMJHLE-JOCHJYFZSA-N 507.352 6.212 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cccc(OCc2ccccc2)c1 1865711923 LMPBFEAAZFVDBZ-QHCPKHFHSA-N 520.486 5.886 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)n1 1868300570 FMOGNZZMDFLBSI-MUUNZHRXSA-N 519.718 8.408 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)n1 1868388132 FTXWXBMVYSMUPN-GDLZYMKVSA-N 512.082 7.551 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 1868389188 RDUBCSMFROIUJS-HKBQPEDESA-N 522.722 7.911 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1)CC3 1868433839 RZQAAYJKPYRAJO-UHFFFAOYSA-N 521.049 7.665 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434002 UIJUGDPGQTWZGP-DEOSSOPVSA-N 514.054 7.162 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 1868527684 GCNUEGCFUHKSNW-AREMUKBSSA-N 561.633 8.219 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN([C@@H](C)c4cccs4)CC3)n2)cc1 1868527968 LBMGNKFCFMIMEL-NRFANRHFSA-N 542.734 6.804 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872744319 MJWBEQMWUFPHAS-ATJXCDBQSA-N 516.579 5.930 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccccc1C 1872792392 WEFFGCOGBPFIPG-YZSQISJMSA-N 502.639 8.314 50 10 KKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940670 BXWCZNYYOYEUNQ-VYIQYICTSA-N 510.575 6.172 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cnn(C)c2Br)c1Br 1922894119 JIDORTSTTRFDEN-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(OC)c1 1924602280 VIKFXIJKENIIGL-NSHDSACASA-N 505.453 6.381 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccco2)c1Br 2025780469 SZBDCJDJUJAGPP-NSHDSACASA-N 552.680 6.814 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(F)cc1Br)C(=O)OC(C)(C)C 2085375023 CAOAIMKXNAUNRD-GOSISDBHSA-N 530.216 5.556 50 10 KKGE C[C@@H]1C[C@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2085494629 MZDJDHOBYQNASX-OZSWBRGFSA-N 566.751 7.219 50 10 KKGE FC(F)(F)CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496859 UQKXWSSQIVASOW-LURJTMIESA-N 538.221 7.359 50 10 KKGE FCCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085498104 LDRPNNXRLRAZHX-NSHDSACASA-N 572.730 7.312 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1csc(Br)c1Br)CCO2 2093947965 NUAIOVQCWJAUOK-NSHDSACASA-N 531.889 6.455 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cc(Cl)ccc1I 2117896311 ZJIFKOOHAQDEGL-SNVBAGLBSA-N 505.565 5.058 50 10 KKGE BrC[C@H](Cc1cc(Br)ccc1Br)c1ccccc1Br 2118525667 WVWFNEZMJSMRAW-NSHDSACASA-N 511.877 6.695 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)cc(Br)c2)c1Br 2138864197 NYAHPJRJRMDQOW-CQSZACIVSA-N 532.295 7.373 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@H]21 2141468823 NZJCKOVHYIHMKR-FDXQJEHBSA-N 536.327 7.453 50 10 KKGE CC1(C)[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141470126 FBHPDNWJSFTEFY-NXEZZACHSA-N 546.269 7.308 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@@H]32)c1Br 2141473032 KDMOJQLJXIBSAE-BSFVXNEUSA-N 580.778 7.609 50 10 KKGE C[C@H](COc1c(Br)cc(Br)cc1Br)c1nc(CCl)cs1 2166291476 ARQOHDUTQOUUCK-SSDOTTSWSA-N 504.469 6.352 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172407612 HPVQXVIBQDXTAH-SFHVURJKSA-N 507.188 6.530 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)c1 2201068611 GRUKOXMHYYSGSL-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCC[C@@H]1OCC2 2206394574 IBTVHWIQBHAODJ-FZZIBODNSA-N 552.326 6.976 50 10 KKGE Brc1sc(C[C@@H](Br)c2ccccn2)c(Br)c1Br 2216393428 LDXQGJVKUMZVCC-ZCFIWIBFSA-N 504.867 6.109 50 10 KKGE Cn1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)nc1Br 2218598204 REGKQMBNEFYLBB-JTQLQIEISA-N 505.805 5.331 50 10 KKGE COc1ccc([C@H](Br)c2sccc2I)cc1I 2248890526 WVJOYNWTICOBML-NSHDSACASA-N 534.982 5.450 50 10 KKGE Clc1cc(I)c(Oc2ccncc2CBr)c(I)c1 2255127727 HDIDRTDDTKFOSJ-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1I 2257370175 ZVUXVHUNZSQPQA-NSHDSACASA-N 566.878 6.371 50 10 KKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC(C(F)(F)F)C1 2264650189 FZDWGDHALLEBPB-POUYQYJTSA-N 505.419 7.294 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198219 KWOKMBZJLFCMFB-DEOSSOPVSA-N 506.002 5.264 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198392 FSILSWCGKGEONO-QFIPXVFZSA-N 583.305 6.277 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2293968591 CMHXSAGMYIJMPN-UHFFFAOYSA-N 530.005 5.542 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1 2296506833 HCSKEFAIMBARNW-MUUNZHRXSA-N 547.636 6.081 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521279 CDJCOGKXGUKGAJ-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313570594 APVPVNWBHNCYCX-UHFFFAOYSA-N 608.188 6.919 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 2313571511 YAGSNXDQRXGHFT-UHFFFAOYSA-N 590.257 7.008 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447796 BTXRISDXDDAAOO-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314488703 OKSFMNWRUKKQTH-UHFFFAOYSA-N 517.522 7.302 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593236 JYFFQTAPMKDLQM-CJAUYULYSA-N 518.038 5.652 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314617377 XCEREUHTFOTIPT-UHFFFAOYSA-N 587.072 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314620760 UNKOAHATGSAMKD-UHFFFAOYSA-N 629.091 7.703 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2314754131 LJMNRSCUJXGYQD-UHFFFAOYSA-N 548.595 6.099 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OCC)cc1OCC 2314808015 QKCATRUGROLHQN-UHFFFAOYSA-N 507.583 5.752 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)s1 2316834749 UEMKCECPVZJRBH-SSDOTTSWSA-N 521.898 5.816 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)NN=Cc2cnc3ccccc3n2)cc1 2321698200 JKNCQVASVZAXPB-OAQYLSRUSA-N 523.637 6.047 50 10 KKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329662426 UEPLHWHPYSFJQL-UHFFFAOYSA-N 506.356 5.264 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404465 JCICALIAPDSANF-CYBMUJFWSA-N 514.390 5.749 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Cl)c1Br 2365177245 YAIPTHTYHDEQOF-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1790113 YQSAZUKKTZMOMO-SCIJIFGBSA-N 522.945 5.452 50 10 KKGE Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 3096136 WICOJJURGMRYBN-WYMPLXKRSA-N 523.552 5.101 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OCc1ccccc1 33930334 DEQHMXRCOCXVHQ-WQRHYEAKSA-N 508.328 5.491 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650866 FTVTWOLITAXXTA-OLILMLBXSA-N 512.606 6.019 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)oc2ccccc12 38701127 JTZTWYBYDHVAKS-NDEPHWFRSA-N 508.574 6.604 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914717 MKYFDNALRWKEKM-UMFKEYKBSA-N 519.126 6.178 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccccc1OCc1ccccc1 100055047 JJOWTBYSBFIQFD-LGJNPRDNSA-N 532.232 5.628 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCC(C)C)c(Br)c1 100192331 JLRWQYAOYHQPMS-UHFFFAOYSA-N 593.110 5.157 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 100236246 VRNYWKKCKVMEEB-ZZJXEYPFSA-N 580.306 6.698 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2s1 100883555 ADEDPBSAIWLWDX-MOHJPFBDSA-N 528.612 7.931 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 101014127 VYKTUKNPHJFERB-ICGOFIQISA-N 579.726 6.060 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 101034074 YHHYMFVUFZTLNX-PXLXIMEGSA-N 528.593 6.842 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101036810 QEEAFDSFOBDEOV-VWLOTQADSA-N 571.514 8.635 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244759 IZYMXDSQCHKMFF-MZOFLMDJSA-N 572.008 6.822 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245949 RQKZNTYUEZXWPX-RAMZYJDASA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101338607 KGRVDYAMVQFWQX-ZCTHSVRISA-N 572.640 6.792 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339477 MYOWUOHVVMTUSH-RDRPBHBLSA-N 544.680 6.752 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369332 ZDTBCYVNWPNHNI-HKBQPEDESA-N 532.596 7.095 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 101377932 XXRZDVQSAVYHPD-WJOKGBTCSA-N 540.660 7.260 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383764 RIHXCKNNMXYVIL-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383958 CZHFSICCUDIIHL-HKBQPEDESA-N 536.559 5.780 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386739 HBRYQFMTVTUNDC-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1Cl 101390259 KPLOAMPIVMOHHA-RUZDIDTESA-N 539.415 6.618 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101393312 NZLNUJSVHQKSRE-URLMMPGGSA-N 542.588 5.084 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 101397243 KFIHSXLAYQAYCY-LJAQVGFWSA-N 547.051 7.135 50 10 KKGE O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101713592 SZAHDBDEUDPWGN-DHRITJCHSA-N 518.205 5.320 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1 101907079 ZJKSKDZEGOQWOS-ZDLGFXPLSA-N 517.192 7.002 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(\CNC(=O)c2ccc(Br)cc2)c2ccccc2)C1 102040892 LQXGVKLBVFWUQL-CIJJFRRPSA-N 583.571 5.689 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OC(C)(C)C)c1C 102924598 MBJQFFLVCAFWDE-LFIBNONCSA-N 539.635 6.017 50 10 KKGE Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103729510 RRDWQBVDJPFHOE-IOIBFPCHSA-N 574.341 5.737 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 103795769 RAXKINBHYJYMMR-HASSKWOGSA-N 608.094 7.576 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 103878678 CCFRSSVRNUCVOW-WKULSOCRSA-N 564.392 6.184 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1 103887986 SPOIFOMVFQJKQY-STZFKDTASA-N 538.385 6.123 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)C)cc1Br 104803599 VGPLYNDKZIXXDY-UHFFFAOYSA-N 554.510 5.114 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccccc1 105068361 ZEQZIWDHUMDGKP-VTNSRFBWSA-N 535.427 6.924 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(C(C)C)cc1Br 105360334 BMVCDMOVLRDOPZ-UHFFFAOYSA-N 593.110 5.011 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1 113418964 RDCDOYNXYRCYHU-UHFFFAOYSA-N 523.576 6.064 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411409 NARVFQPPLYRDHA-QSAVWGRNSA-N 684.749 6.174 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461952 ADPWHPDVJSCFQF-WJOKGBTCSA-N 671.931 8.182 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485780 YKTHGVBWRHEUIX-MGBGTMOVSA-N 631.512 7.400 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 164218166 CAGOOIJVCUBDFY-LYHCJHJCSA-N 696.001 6.564 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 206291709 JPPSXUBDOXOYNA-PYCFMQQDSA-N 534.638 5.396 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)c(F)cc1F 235857366 IMUFFQJEPVQIQN-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)sc2c1CCCC2 254378986 HSJLPLJIZQHCIS-UHFFFAOYSA-N 639.686 5.331 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 254619646 VIUNSFXXNNRURM-UHFFFAOYSA-N 634.762 6.128 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C\c1ccc([N+](=O)[O-])o1 306146550 JTUXTPWYZXWOIB-DLTNHQLASA-N 630.445 5.580 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Br)ccc2Cl)C1 394641280 TYXGZVMKTFUGBN-WMLDXEAASA-N 534.619 5.890 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1N(c1ccccc1)c1ccccc1 642813891 CSHIPHYXRYDKTG-UHFFFAOYSA-N 521.600 8.463 50 10 KKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(Br)ccc2I)C1 693898580 VUVCXRSHHMOHJR-GHMZBOCLSA-N 515.027 5.126 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1 725387708 RGFZWPBPKRIKSW-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1083897046 PUWMHPXHFMRNHW-UHFFFAOYSA-N 542.433 6.946 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1COc1ccccc1Cl 1084054227 DUXIWCBQMNNEGG-UHFFFAOYSA-N 578.452 6.362 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1 1084145509 SVDSFPOVGWYCID-UHFFFAOYSA-N 537.641 5.737 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1084179229 WAFYCTSQAAFIRK-SSDVNMTOSA-N 604.302 6.409 50 10 KKGE Cc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 1084194034 XJEZACGRUBJZRO-UHFFFAOYSA-N 509.937 5.013 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1C#N 1084270319 KSYVZXRVKNWPDH-UHFFFAOYSA-N 594.715 7.795 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 1084274045 AQZQXHLGUMOISJ-UHFFFAOYSA-N 566.677 6.607 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084275495 VXSRTEYZQISWGV-UHFFFAOYSA-N 645.565 5.772 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084307942 WDWAHGWIRXJUQN-UHFFFAOYSA-N 595.508 5.981 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1 1084312003 GGZPWRRXLAHWKA-UHFFFAOYSA-N 525.027 7.417 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1 1084359614 CROCKFPMBXCMMN-UHFFFAOYSA-N 523.814 6.920 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1 1084386242 ORQDFLKIFUPZBC-QHCPKHFHSA-N 646.866 5.645 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 1084433471 DKSLQIMXCOOFDD-UHFFFAOYSA-N 511.357 5.425 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746386 DZWTXQKAJRIBTJ-UHFFFAOYSA-N 565.629 7.483 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772747739 GEBQLLBSNHQRAV-UHFFFAOYSA-N 549.671 7.008 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCCc1ccc(/N=N/c2ccc(NC(=O)CCSS(C)(=O)=O)cc2)cc1 1848441737 BTBYVZFTPHWGAU-ZQHSETAFSA-N 549.835 7.468 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865682533 QVYUAWBMDDJUST-OAQYLSRUSA-N 525.798 6.916 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865686788 AYBAEZJXWOXGSD-RUZDIDTESA-N 527.452 6.342 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689465 ABBLFKVWSNLWON-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865690712 ZGSMLSSQVGQAGG-NRFANRHFSA-N 500.496 5.876 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865692588 NOVRNOINICICRW-SANMLTNESA-N 565.512 6.415 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865693452 VTXRRBVKGDDABD-AREMUKBSSA-N 573.491 6.756 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865693536 OWQQQTUIHCBRFX-AREMUKBSSA-N 557.050 6.276 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3cccc(F)c3)cc2)cc1 1865694504 YOWMACXZXIBQSI-SSEXGKCCSA-N 542.614 6.843 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865695749 HAIZRMCMVLXSFV-QFIPXVFZSA-N 530.522 5.885 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696541 HDZZSNCHNJQARX-GDLZYMKVSA-N 555.078 6.717 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865697636 YMVDAWSHCCQRRL-JOCHJYFZSA-N 523.431 5.190 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1c[nH]c2ccccc12 1865700008 ISAJNHLEYLPSJR-HSZRJFAPSA-N 508.379 6.001 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703512 XBYMFNGJDXTKFD-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706337 UFNOCQNFTXHUBH-QHCPKHFHSA-N 548.386 6.040 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706861 HIYPIXDNUXLKDA-LJQANCHMSA-N 515.795 5.173 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866810479 YNQXROXADPZDME-AREMUKBSSA-N 549.718 5.087 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c3c2CCC3)cc1 1866854458 KPTJDKZOKDQPQO-VWLOTQADSA-N 576.509 6.221 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c1 1868565049 GOTRNCNNVHWKGG-WJOKGBTCSA-N 542.668 7.016 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 1922944858 AFXUJVZPTHRDGC-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Fc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924599786 LOQZHHWGAYJZIE-ZCFIWIBFSA-N 539.859 6.993 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2sccc2I)cc1Br 2082376419 HNZIAMZNTFINMM-NSHDSACASA-N 522.427 6.262 50 10 KKGE Cl[C@H](c1sncc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085496565 WUXYAMWAXHNUGE-VIFPVBQESA-N 604.181 7.284 50 10 KKGE Cc1cc([C@H](Br)c2sc(C)c(Br)c2C)ccc1I 2086021471 YOIJVEJERZMIJP-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Brc1ccc(Br)c(CC[C@@H](Br)c2ccccc2Br)c1 2118532290 OBKCFQNGULUTFW-OAHLLOKOSA-N 511.877 7.043 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1csc(Br)c1Br 2139014023 CCGFVWIHLSSQHZ-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE COc1ccsc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470243 FNYIGDSHCIFTPM-NSHDSACASA-N 598.774 7.291 50 10 KKGE CCCCCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Cl 2164485730 BWXAKMKKTMFNJQ-NSHDSACASA-N 509.573 8.893 50 10 KKGE Cc1c(Br)cnc2c1nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2184944807 VKADBHJUXVCEDJ-HXUWFJFHSA-N 539.905 6.273 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(F)c1I 2203007464 MNJDJLGHOHWPPU-LBPRGKRZSA-N 534.388 6.339 50 10 KKGE CC1(C)CC12CC([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206401143 VRCXCWINMKSEAH-MLUFTHPKSA-N 594.805 7.999 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206405251 IDKGNGIPEHENIJ-CQSZACIVSA-N 548.294 7.073 50 10 KKGE Fc1ccccc1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405325 IXVLGXBYOBSLIS-JTQLQIEISA-N 550.285 7.398 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2occc2Br)c(C)c1Br 2220156242 ODJHNJFZTNAENP-LBPRGKRZSA-N 501.838 6.668 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c(Cl)c1Cl 2224302669 NVUDIYXGWTVZMV-MRVPVSSYSA-N 548.736 8.324 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Cl)c(C)c1Br 2235605518 SELYJKULWCDMIC-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506716 BLFXGIMTHXWAFI-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N1CCOCC1 2296706043 PJQVXBGZHZHZHN-UHFFFAOYSA-N 508.553 5.023 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 2296789982 GTAIHAYMGKZXKE-UHFFFAOYSA-N 507.641 5.191 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c2C)cc1 2297616368 LMFZCDZKYFTQEC-UHFFFAOYSA-N 519.689 7.578 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)NCc1ccccc1 2313565330 RBIKIAGNBAIKJF-UHFFFAOYSA-N 544.218 6.153 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567940 QBGLQQLLVVREKM-UHFFFAOYSA-N 618.302 6.433 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570630 BKBDCGNVDFBCOZ-UHFFFAOYSA-N 709.536 7.981 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)nc2ccccc21 2314415085 WZVRXLZSIOFJME-UHFFFAOYSA-N 542.042 7.723 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccccc1 2314476478 PEJKVAFSTGHGJK-UHFFFAOYSA-N 558.685 5.052 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 2314477003 ZNHAWZNXNMAWGV-UHFFFAOYSA-N 511.025 7.226 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314610625 KJTNTTLKFWRFPN-INIZCTEOSA-N 513.421 6.362 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314616710 HZBHODKDBZMPDV-UHFFFAOYSA-N 552.627 5.516 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314617896 CSDIDPREADWCJN-UHFFFAOYSA-N 636.752 7.679 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618174 INRMUXBXQSYFAR-RUZDIDTESA-N 522.605 5.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643247 LHHUICYYGRULTO-JGCGQSQUSA-N 617.460 7.557 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314737050 JBGPGEJEXIXWIH-UHFFFAOYSA-N 568.670 6.505 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(I)c1 2317773816 NJUDMBLQLCIVPW-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362133 ABOQNQLCYGNUFO-OAQYLSRUSA-N 501.652 6.406 50 10 KKGE COc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 2338830642 DBGGVEMOXVGFKX-JTQLQIEISA-N 533.905 6.723 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csc(Br)c1Br 2339639573 NRFZOCWKHJKMRZ-SNVBAGLBSA-N 556.314 7.574 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360427941 XXQVNXMOSPHEQS-NSHDSACASA-N 509.797 7.281 50 10 KKGE Clc1ccccc1[C@@H](CI)OCc1c(Br)cccc1Br 2366144111 AZWYTGDHZJZERO-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE BrC[C@@H](OCc1cc(I)ccc1Br)c1ccccc1Br 2367601500 KMJRKDNVNXRHBG-OAHLLOKOSA-N 574.876 6.469 50 10 KKGE Cc1ccc([C@H](CI)OCc2cc(I)ccc2Br)cc1 2367602002 OWIHKBZGWBPZIB-INIZCTEOSA-N 557.007 6.055 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)sc(C)c1C 29492380 QDPDGDOEZOSPED-CLNXTWJPSA-N 574.706 7.443 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)c1 35212777 SUDISMGQSIHJDU-RMNOPMHCSA-N 502.039 6.330 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OCC 38684056 PEGRBPVFQDBUBS-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 39993073 AWOSXFLMZGILHU-CPNJWEJPSA-N 518.495 5.977 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 58890189 INOKBJOKYDTJSG-HSMHNTNPSA-N 515.379 5.140 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 58894088 WWCNVTGSWBHDAL-ZSYYNXLFSA-N 511.018 5.599 50 10 KKGE Cc1cc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)nc(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)n1 82195653 KZXIZYXSHGCLHG-JMHICSSYSA-N 672.403 5.332 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914594 KCZLALDQGJUQGE-MHZLTWQESA-N 505.099 5.932 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 100234654 JMPISPHUEHZBNT-BATDETSNSA-N 556.413 5.299 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100261384 ZMGNWIFSORKMGZ-HRAATJIYSA-N 592.328 6.262 50 10 KKGE Cc1sc(C)c(P(c2ccccc2)c2ccccc2)c1C1=C(P(c2ccccc2)c2ccccc2)[C@H]2CC[C@]1(C)C2(C)C 101145393 PZNKRERTQOZOSX-IKCXEYKWSA-N 614.775 9.423 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246632 ULJDNFQUCRAADY-NFHYYMBESA-N 520.010 5.422 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C1=O 101333571 ULAQYFKTZRSRMB-ZXVVBBHZSA-N 554.666 7.030 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 101340209 QMKKHTPMQIICDI-TWKHWXDSSA-N 572.665 6.090 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101341363 JSKOTPIHFKTKIG-NDZAJKAJSA-N 604.638 5.803 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 101364495 YBEVDATVKSQHNJ-JOCHJYFZSA-N 526.332 5.738 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379353 KDRDHSYBENLXDZ-ULKXQASOSA-N 595.095 7.633 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388487 JOFSWPZEPPWIGE-DOABURPNSA-N 593.079 7.463 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1Cl 101390252 MRDOOOFOYSGKBX-XMMPIXPASA-N 525.388 6.228 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 101405961 ICEQTTPWBZPAHA-FPJJECCMSA-N 583.449 5.179 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494237 KWUKXXYPTXZJIJ-UHFFFAOYSA-N 542.905 6.076 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 101639081 YCCFGOJZIPVYHC-OVGLXYEQSA-N 530.580 5.871 50 10 KKGE CCOC(=O)C(C#N)=C1/C(=C\c2ccc(Br)cc2)CC/C1=C\c1ccc(Br)cc1 102925838 FWWISIHVFKYMHI-UTWOMZMCSA-N 513.229 6.856 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 102976891 DQKYPCXDCBSFRE-MDVFONAFSA-N 544.640 5.094 50 10 KKGE CCOc1cc(/C=N\NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 103984083 GXUKGEQPUXYXFZ-VQNDASPWSA-N 585.726 6.133 50 10 KKGE Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc(/C(C#N)=C\c2ccc(C(F)(F)F)cc2)cc1 107378460 XJUYENVYSSSCDR-AQTBWJFISA-N 543.328 8.259 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)sc1Br 109869788 UFMBAUZEHRKWTM-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Fc1ccccc1C(CBr)(CBr)Cc1ccc(I)cc1 118878245 HTNYDIYYUPQKSY-UHFFFAOYSA-N 511.998 5.701 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118921008 YAHXNVGUCZQYAB-ZDEQRXPKSA-N 535.651 9.113 50 10 KKGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150410052 NPVPTKGXFQPRON-UHFFFAOYSA-N 674.209 5.629 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(C)c2c1 150463287 WDELRVLLPOEPMY-XIFFEERXSA-N 655.534 8.635 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485838 JMVWZJQDKDUWHW-MGBGTMOVSA-N 631.512 7.346 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc2ccccc12 164017409 QIHUUDLXCKLFHY-FABQOPTDSA-N 629.679 7.073 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 205650044 KLSOVECDXPVZRC-FLTLIFPASA-N 560.606 6.120 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 214339372 WUGZRASKUZLCRF-FIOJILPZSA-N 529.556 5.801 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214394576 MPEYZHUZWVTPCS-FSGOGVSDSA-N 574.706 6.842 50 10 KKGE COc1ccc([C@H](Br)c2ccccc2I)c(OC)c1Br 224849130 OKIOFZBHJJWIOQ-CYBMUJFWSA-N 511.979 5.555 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 254376136 OQZORIZRYSPIJH-UHFFFAOYSA-N 606.716 6.183 50 10 KKGE CC1(C)CC[C@@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 575629571 RJCWBNBKOKFWNY-BKMSKWHHSA-N 554.722 6.730 50 10 KKGE ClCc1nc2cc(I)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 706573245 LHWZLZRCAUOJLU-UHFFFAOYSA-N 557.863 5.851 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721595741 YATCUXBDSMOEHY-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE O=C(OCc1cncs1)N1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725240048 KKOGJMXYPUXUJD-NRFANRHFSA-N 587.045 5.018 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)c2ccccc2)cc1 725383842 UDFIBYWTYOMJHP-ZODNTCIQSA-N 624.738 6.397 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)C[C@@H]7SC(=O)NC7=O)CC[C@@]6(C)[C@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@H]3C1 1076011194 YMOJHOVBTLWOMT-KKSZRKRHSA-N 705.756 7.562 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1083852011 MHQMVXOWZKVRND-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(Cl)ccc2OC)cc1OC 1084141127 MFGCHBLMSOPYBP-UHFFFAOYSA-N 639.174 5.736 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 1084241791 NGMMGZMERHELPP-JOCHJYFZSA-N 546.259 5.755 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 1084398458 XVRBQLVYDWNYOX-XMMPIXPASA-N 529.406 5.530 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 1084478586 XUYMNKUVRMJZCA-DEOSSOPVSA-N 583.426 5.104 50 10 KKGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 1084525149 MAGPOUBCMZGDOE-UHFFFAOYSA-N 543.693 5.482 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1 1084555319 LDFQRUYNOWQXKR-GZTJUZNOSA-N 579.221 6.731 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1 1084620055 FBKAKMIUDRVSGN-CIAFOILYSA-N 631.308 7.194 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccccc1Cl 1772752299 RFWSXLYQQAYIFC-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@H]2OC 1848433164 YGXDKYAIMAMUAT-TVCCHLPFSA-N 920.311 7.460 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OCC 1865687182 LIVBTMQJSVQXBF-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865690943 FMCVHBNFMFTLBB-QHCPKHFHSA-N 526.559 5.973 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865690965 GBXJOFIGRVSQHJ-LJAQVGFWSA-N 569.105 7.438 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865691521 UTIRNUWGUAUFJB-LJAQVGFWSA-N 569.105 7.438 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694013 SYZJBRPWZNQNFM-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1865694985 HFKOWXQSVQUBCP-MHZLTWQESA-N 557.448 6.057 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1F 1865702291 RSYHFWXUPOWEEO-OAHLLOKOSA-N 513.676 5.664 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702468 AUTHFBVMDZYHPM-RUZDIDTESA-N 503.389 6.285 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702601 XQGKUONPXYPFGQ-LJQANCHMSA-N 505.750 5.406 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703498 WUMNHTLQJRMNMP-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703954 JKVDTFNFZMUUCX-HHHXNRCGSA-N 541.051 6.665 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1Cl 1865704167 PBORXZRRZMJMOT-MHZLTWQESA-N 575.496 7.319 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704586 ZILDHIXPURBSNN-MGBGTMOVSA-N 548.646 7.538 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710773 HXWWTJUIRNMUDC-QFIPXVFZSA-N 517.358 5.668 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866598664 ATFQSJHFIYSREW-RUZDIDTESA-N 501.656 5.261 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3ccccc3)n2)cc1 1868364699 DLSCQTFZPMGPHY-DEOSSOPVSA-N 500.027 6.692 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)cc1 1868415261 VZBVIEDQFZFPQN-UHFFFAOYSA-N 571.150 6.877 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(Br)c(OC)c(OC)c3)n2)cc1C 1872746501 LAPDGUQUMAXDDI-VFFXKLFPSA-N 513.413 6.413 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915300345 ABCWZCCVAZIQJE-LJQANCHMSA-N 504.104 6.633 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2c(s1)CCCC2 1923068933 YYZYKBFMBLCDAD-SNVBAGLBSA-N 505.522 7.351 50 10 KKGE Fc1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924594198 LIYUOXQXPJUMNB-SECBINFHSA-N 542.287 7.265 50 10 KKGE CC(C)c1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924612933 FHBLNOBSIBFWOP-NSHDSACASA-N 531.933 7.643 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)ccc1Br 1925589235 SHCAKBZXGCESIV-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2cc(Br)ccc2I)c1Cl 1925590651 YVVRDFVUPHTPBQ-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE C=CCN1C(c2ccc(Br)cc2)=CSC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2042434491 RPPDOGWFJZOEQX-UHFFFAOYSA-N 547.482 5.292 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2060316996 YQFZNYCPHIXROS-UFRVWQQYSA-N 919.761 9.476 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 2137656201 OXLYHXLASQYCHZ-CQSZACIVSA-N 534.844 7.106 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)o1 2141469114 RNJGXPIXAQGROF-LLVKDONJSA-N 580.734 7.431 50 10 KKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471009 MZLMTZPRBORBSG-OPVBNTEQSA-N 584.766 6.988 50 10 KKGE C[C@H]1COc2ccc([C@H](Br)c3ccc(Br)cc3I)cc21 2207259169 KEZPKHQPLDZSJU-FVMDXXJSSA-N 507.991 6.034 50 10 KKGE C[C@@](CI)(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385349 GAEHPTDPRDSODB-XLIONFOSSA-N 500.218 5.390 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cccc(I)c1 2285074694 LTSQNGJMZLGXOG-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1I 2288496918 NBUVORLOKTZCRV-LBPRGKRZSA-N 601.248 7.185 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Br)cc3)nc12 2296723194 XHLJNUKKUGSUCR-UHFFFAOYSA-N 601.276 5.659 50 10 KKGE CCCCN1C(=O)C(=CNc2ccc(Cl)cc2C(=O)c2ccccc2)C(=O)N(CCCCl)C1=O 2297454737 HLWZCRSPAWQGIJ-UHFFFAOYSA-N 502.398 5.087 50 10 KKGE C=CCc1ccc(OCCOc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)c(OC)c1 2297499572 MZIZQYICSKDVOT-UHFFFAOYSA-N 502.567 5.097 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(C)c1 2313567709 MXELIUTURCOWPK-UHFFFAOYSA-N 502.014 5.492 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc2ccccc12 2313568856 ZNDOZZKNNRUEFE-UHFFFAOYSA-N 557.694 6.802 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 2314414927 RCLZCUNAKVLWDE-UHFFFAOYSA-N 545.664 7.074 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592884 DDBJNKMQORSJMG-RNWIMVQKSA-N 523.702 6.731 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 2314616835 KUASKTRZIVGOKA-UHFFFAOYSA-N 558.594 5.378 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314619887 GSFXAXJDZXMFLU-UHFFFAOYSA-N 506.512 5.610 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2314793215 OEXQLGZQXZONHA-UHFFFAOYSA-N 515.679 7.202 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cocc2Br)c1Br 2315451747 SUPDFAXPLUAMGH-VIFPVBQESA-N 526.219 6.844 50 10 KKGE Clc1c(Br)ccc(CBr)c1OCc1cccc(I)c1 2341791766 BOHLCWHCZYYGLL-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362254695 MUUFZIXKFGDDOT-LDWIPMOCSA-N 513.448 5.265 50 10 KKGE O=C(CCCCCNc1c2ccccc2nc2ccccc12)c1ccc(N(CCCl)CCCl)cc1 38148129 ZBXRYMWSCXGVMN-UHFFFAOYSA-N 508.493 7.527 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655469 AKWPBUNIDOGQTR-MHZLTWQESA-N 501.369 6.513 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38658641 XLFNUYGPFZRLFO-JMQGSBJISA-N 514.578 5.418 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1 38660005 CKQHPYUEPVZTAY-LJAQVGFWSA-N 504.542 5.712 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5C)ccc43)c2)cc1 38686613 PTGLHNHARXSRTK-PMERELPUSA-N 502.570 6.320 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 58894081 WVVAZFIRBCLNAX-LCVHJTKWSA-N 514.981 5.429 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12 59336224 IVSRUYQZSLXSCG-STZFKDTASA-N 503.385 7.280 50 10 KKGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3c(C)nn4c3nc(Sc3nc5ccccc5o3)c3ccccc34)c2)c(C)c1 97984144 DDGWQWRZTIWSIZ-XZYGTATASA-N 661.769 6.665 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 100173232 XQELOBOAXYVFQS-UHFFFAOYSA-N 547.302 5.664 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100190756 QGEAZYKZYHDZQN-ZDUSSCGKSA-N 577.328 5.284 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c(Br)c1 100288129 JBHRKANERJEEGM-LBPRGKRZSA-N 607.137 5.401 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]2Br 100869384 AZNLFICUMXHKGS-RLCCDNCMSA-N 525.035 5.219 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 101339199 MSTCXFCXWLKIJA-NJZRLIGZSA-N 616.718 6.489 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1 101367584 FEZNAOJIXBXTNY-GDLZYMKVSA-N 549.539 5.620 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101374917 ZATFZEYYEWSPDH-PMERELPUSA-N 573.602 5.621 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C(c5ccccc5)c5ccccc5)ccc43)cc2)cc1 101378934 CYXAZRZIFNAKOA-PSXMRANNSA-N 578.668 7.530 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101378972 BMJMZJYCVBBMTE-HKBQPEDESA-N 565.069 7.654 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380320 NPURJYFZPWITGW-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381379 POSHHNAWBJPAFQ-WJOKGBTCSA-N 587.459 6.947 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384133 NNZUCIZNMIOLKM-ICFJDMLASA-N 552.989 6.895 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 101394782 JXUHPOCGVRKLSK-SSEXGKCCSA-N 552.627 7.146 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101396958 WBHYPQWACXYXCI-SANMLTNESA-N 553.442 7.008 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612137 NPWGYTQUMSLJHW-RDRPBHBLSA-N 520.800 6.036 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)c1 101613175 MXTDCVVDDVIPFI-TWKHWXDSSA-N 548.393 5.597 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cncc(Br)c3)CCC4)ccc21 101614084 UGBQFKLCDZXDIQ-PPFNPFNJSA-N 584.474 6.596 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)c(Cl)c5)c(C)c43)coc2c1C 101619664 SLEONEYDJXWZSK-WEMUVCOSSA-N 538.431 6.909 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1 101710646 NJPKPORBFMLNRZ-HZHRSRAPSA-N 557.444 7.134 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCCC(C)C)c(OC)c1 101751297 ULANDCKKWLVSMR-HJRUICJMSA-N 558.631 5.954 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccccc1 102412733 RIEHAINBJNUITE-WJAYPVQZSA-N 611.530 6.584 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 102833905 DBKAFQBFGAKRAK-WQNJBNFLSA-N 559.069 7.556 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 150418911 DKYDZASGHTUNHX-UHFFFAOYSA-N 625.372 5.872 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 150419207 XJZAWZMVSMBVPC-OZVJIIIZSA-N 639.133 5.508 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432917 JWZPKDRCVKEBCY-AJQTZOPKSA-N 645.495 6.935 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 150464179 UVLYSUZPAXPRSI-UXHLAJHPSA-N 641.555 7.444 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1 150564017 OVCLOCCFZDQWBU-LICLKQGHSA-N 640.646 6.674 50 10 KKGE CCCCCCCCCCCCC[C@H](NS(=O)(=O)c1ccccc1)[C@@H](Br)C(=O)OC 207650813 UTAZLJFKNZZADI-FCHUYYIVSA-N 504.531 5.971 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 214296566 SAEGYCRQAUVPMQ-USHMODERSA-N 538.648 5.655 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C2=O)cc1 214396285 MDIYAEODHJSVQN-CAQPMQTCSA-N 586.692 6.684 50 10 KKGE CCCc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1 252620580 MHCWCUMXUDOHLA-UHFFFAOYSA-N 506.650 6.993 50 10 KKGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)Oc2cccc(Cl)c2)cc1)c1ccc(C(=O)Oc2cccc(Cl)c2)cc1 253568976 LWUJZLQAJKSNLC-UHFFFAOYSA-N 651.735 8.533 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nnc2-c2ccc(C)cc2)cc1 254296677 ZYDVGJVAZAWSPB-UHFFFAOYSA-N 525.556 5.513 50 10 KKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254484970 WILQGSKEXVNXRF-MIIBVJLPSA-N 506.678 5.900 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 256019955 NZZGFMNZNPWDMG-UIAACRFSSA-N 537.130 6.710 50 10 KKGE ClCc1csc(Oc2c(I)cc(Cl)cc2I)n1 311774869 NRXOLGHMILBUSS-UHFFFAOYSA-N 511.937 5.537 50 10 KKGE ClCc1nc2cc(Br)ccc2n1-c1cc(I)ccc1Br 312647877 UPVVYQMVNSQIGS-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Clc1cnccc1C[C@@H](Br)c1ccc(I)c(Br)c1 721579121 QGEFMODVQAEJPP-SNVBAGLBSA-N 501.387 5.781 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 725395901 WPCJJCPOSJRONF-UHFFFAOYSA-N 648.181 6.528 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 725410759 ZYJWYTZMLGBNJP-UHFFFAOYSA-N 549.096 5.131 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818416 QXQZQDMMTWVWDX-IMEMCKAMSA-N 654.920 8.706 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)cc1 1083850826 FCNGVPRSYLCUGF-SANMLTNESA-N 525.045 5.989 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083899308 HYVIVCPJOWQTCY-UHFFFAOYSA-N 595.508 5.981 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccc(C)cc1 1083952290 PMMPPPXPDXWACN-UHFFFAOYSA-N 562.667 5.204 50 10 KKGE COc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1083972524 HFSSFYCVUPMTIZ-UHFFFAOYSA-N 661.281 6.434 50 10 KKGE COc1ccc(Cl)cc1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 1084048212 NQZGUPQULDAJKQ-UHFFFAOYSA-N 500.780 6.029 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 1084166225 GJHFTPYWLXBXAS-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2cc(C)cc(C)c2)cc1OC 1084238036 SIIBDDLUSOZADX-UHFFFAOYSA-N 588.730 5.382 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 1084335907 BSNAKUQWTXHTSD-UHFFFAOYSA-N 582.473 7.697 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 1084430979 CIQSSFHXCBPHKX-UHFFFAOYSA-N 578.090 5.663 50 10 KKGE COc1ccc(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084534895 ZCVGZOCHPYOUMO-UHFFFAOYSA-N 552.252 6.045 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743865 KLXSQAQPXSXXOB-UHFFFAOYSA-N 531.971 6.896 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748058 HVVVOBZNYXNYLY-UHFFFAOYSA-N 521.617 6.228 50 10 KKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772748337 KPTWVKYQKNWHSE-UHFFFAOYSA-N 505.618 5.815 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccccc1C 1772754471 WLUFWSZOOVXDAV-UHFFFAOYSA-N 559.460 6.541 50 10 KKGE CC1(C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 1848441294 TUSMFEAJPIOLHL-AAXYPDHBSA-N 554.976 10.377 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860822726 KVBKBFWDZCHOIU-KRUMMXJUSA-N 516.812 5.873 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688627 XFKJJNHBSFGRKL-QHCPKHFHSA-N 526.559 6.062 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691202 MJMDDYOXWNCJLI-HHHXNRCGSA-N 535.088 6.723 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OCC 1865691301 PAMJKCDJTBPGBD-WJOKGBTCSA-N 572.665 7.107 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866720404 KANJJMMVFNKKPZ-IHLOFXLRSA-N 555.700 6.052 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867216692 RVGVWHVBIMCKDM-HHHXNRCGSA-N 568.724 5.698 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)n1 1868301153 MFPSNJKCZWYDFL-UHFFFAOYSA-N 545.716 6.615 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccccc3)n2)cc1 1868364675 DBFBOKRHBAAPEZ-RUZDIDTESA-N 522.609 5.545 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)C[C@@H]2c2ccccc21 1868364713 DRPBRYOPQMROCF-AREMUKBSSA-N 532.673 6.141 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872753972 WQAFIUGPELPVFZ-SUBYVBAOSA-N 501.608 5.939 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872791652 PTRINWBKSJJMKB-KGENOOAVSA-N 514.651 6.392 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 1873793663 VPWRPPYWNVLLBR-XCCYOMQZSA-N 504.027 5.317 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cocc2Br)c1 1899859285 YPXOULOTMMTETA-SFHVURJKSA-N 501.012 6.868 50 10 KKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915289318 RUYLXHYKOFKRCZ-SFHVURJKSA-N 520.636 5.960 50 10 KKGE CC(F)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048514 QJYUDBRHQBZCPO-MRVPVSSYSA-N 506.204 6.672 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(Br)s2)c(I)c1 1995285601 INANTHDYZVPIFX-LLVKDONJSA-N 536.852 6.362 50 10 KKGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2I)c1 2053623237 NVQZWTWWHLPIGA-UHFFFAOYSA-N 744.121 7.000 50 10 KKGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1 2054724653 DVLICOWBWULAJJ-VLSLJKOQSA-N 749.459 6.791 50 10 KKGE CC(C)(C)c1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079245734 MINDWXKTZREFNG-UHFFFAOYSA-N 501.128 5.747 50 10 KKGE CN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2085500062 LSQFSGXOPLQSPV-REFSAOSRSA-N 525.304 6.015 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCCC[C@H]2C3)c1Br 2141468910 PBWVCISRESRAKR-HNWMMTHTSA-N 580.778 7.753 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CS(=O)(=O)C1 2141470296 GAZVJCUSSDANHS-JTQLQIEISA-N 560.327 5.451 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141476441 ARVRFHABJRARPU-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE Clc1ccc(Br)c(CO[C@@H](CI)c2ccc(Br)cc2)c1 2200750459 IGZIVJQPUZXODU-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206401512 XTAABIFZAANDJC-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)c(C)c1Cl 2232526453 IHFSYBGBUMVVPH-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2247988099 QJXUDBFYKYREOC-JTQLQIEISA-N 510.391 6.345 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)cc1Br 2267242635 QBOIJVVSPATIBP-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2270452230 GBRXVZCCSSNYEL-SECBINFHSA-N 511.863 7.512 50 10 KKGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2295923695 FWQSFSKFNXBZPY-UHFFFAOYSA-N 679.698 5.804 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 2296500500 SRDFADIMTWNWCT-UHFFFAOYSA-N 509.631 6.352 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2297458595 INBPIIYJMZBBNX-JOCHJYFZSA-N 556.844 6.307 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=C(C#N)C(=O)NCc3cccnc3)o2)cc1 2297534092 XHNCYLPVTXXTNA-UHFFFAOYSA-N 595.508 5.904 50 10 KKGE CCCCCOc1ccc(C(C)=NNC(=O)CSc2c([N+](=O)[O-])nc(C)n2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 2297708420 GBGPBEVJDIOOGQ-UHFFFAOYSA-N 584.655 5.266 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521582 XVAOHVIRBXXEDK-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1 2313545737 BOPCWUNEZWNAMJ-UHFFFAOYSA-N 593.465 5.525 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2314432762 GDSUJZWLJWMYAL-UHFFFAOYSA-N 515.617 7.211 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314591755 CZTFWGJTLUNPHS-VWLOTQADSA-N 552.483 6.684 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591881 GSYCSXDICBHOBL-SANMLTNESA-N 550.511 7.490 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592194 NPIWKAKZIPKHEV-RUZDIDTESA-N 502.039 6.276 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314617284 VISFHVCVPQZOCX-UHFFFAOYSA-N 554.562 5.807 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617825 BNLGQGWPBNYKHP-VWLOTQADSA-N 538.673 5.813 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 2314634145 RAIMXOJGKPYNOL-DEOSSOPVSA-N 508.317 5.739 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634439 SSGSUQMKYDFQMS-RUZDIDTESA-N 572.242 6.601 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)cc1 2314646655 IESLQBGWIPJRTP-GDLZYMKVSA-N 662.768 5.499 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 2314729140 XLRLHHSLRMQKRU-UHFFFAOYSA-N 542.654 5.923 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329663817 WSWNLIKWLXBRHC-UHFFFAOYSA-N 574.294 6.835 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)c(OCC)c3)n2)cc1 2331445409 SRPSTFVTZVDXNR-UHFFFAOYSA-N 510.659 7.949 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2331448855 IKKULRLZGLBNRV-UHFFFAOYSA-N 513.457 7.141 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c1 2331470894 URUUDJLGRUVKDZ-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2csc(C)c2Br)c1Br 2343566456 KXBBJISHKRTSNR-CQSZACIVSA-N 531.933 7.445 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2358265423 RYHQUGMIFLCIGG-ZWADGADFSA-N 596.777 6.988 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362256687 ZUDFQLYMZXVBMF-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2303400 NSMBRMFKUKGMDO-YBFXNURJSA-N 507.340 5.281 50 10 KKGE COc1cc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)n2-c2ccccc2)cc(OC)c1OC 2705019 DCHCCVNQZXMSMW-IPPBACCNSA-N 572.474 5.509 50 10 KKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC 6600240 HHNDURAXBSCVDN-SDQBBNPISA-N 525.153 5.073 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29493225 OVBWEUCHVRUASG-CLCOLTQESA-N 544.615 5.282 50 10 KKGE CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 33416348 ONQDQCVABYAXLX-SJCFVWOQSA-N 516.066 6.748 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 34896470 ZTEMVFHRWQTNAX-GPSDDGMOSA-N 508.430 6.367 50 10 KKGE CC(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100092199 PBANTSFJIOZTAV-UHFFFAOYSA-N 550.247 5.093 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 100173382 JCNGQWSWYGPZDO-UHFFFAOYSA-N 615.388 5.448 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1F 100235475 WHEIBZLLLSIHJO-HOFFDHMBSA-N 569.471 6.258 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@@H]2Br 100921698 BTNYCBPKSJUSQW-DQYPLSBCSA-N 524.047 5.040 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C1 101014117 AXZCVCWVIQATOB-FPRHVESQSA-N 571.747 5.562 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244977 DJEUGNZWTOYMJQ-IDJUBOEBSA-N 546.490 6.385 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101333320 UOSAGBLRYXWVID-UXHLAJHPSA-N 625.556 8.208 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101334962 DBIYNDDPDFSVDF-YLNVQIAQSA-N 526.596 5.655 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101336487 GTSSQSFIXIVKEN-FDAWAROLSA-N 612.089 6.959 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101337128 JDWJGETYUKZNFW-HQUMBPMSSA-N 605.094 6.543 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367549 OTGWRRNTXJLKSB-WJOKGBTCSA-N 548.595 6.110 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101373689 TYUKANAAOYQZFG-JMQGSBJISA-N 532.568 5.604 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCC(C)C 101374242 ZAJFXZDLZXSPAZ-YHTKHVAWSA-N 531.008 6.220 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 101375540 OVUYVTBQIWBMKZ-XIFFEERXSA-N 570.686 6.864 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101378990 XKEDPPHXURMTBT-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101385006 GONZUXSIPDWJKO-GSTQUKTASA-N 629.540 8.287 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388151 HRBPUYZOOIBHOK-KACQLMOOSA-N 579.052 7.155 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101388368 KLZGVRFRBWVLPL-JGCGQSQUSA-N 617.485 7.174 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2cc1C 101397553 BQHCUSGVFYUPTE-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2c1 101397614 ZKHPSZYCQLVVRH-HKBQPEDESA-N 577.036 7.719 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 101766705 XTPSEOVWFCJHRB-DHRITJCHSA-N 542.268 5.533 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2)c(OCC)c1 102349905 BULLKBIVVSJJNX-STZFKDTASA-N 532.618 6.212 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 102685569 VBGHJGASUGZEAN-STZFKDTASA-N 550.434 5.513 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 102861721 STAQWYPHOIHCHM-GQPXRJKTSA-N 542.614 7.042 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 103742412 DVXZWAZNHXJXBL-QPSWJSTDSA-N 542.875 6.389 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 103877256 AVVXMXVPZATTMR-KBVAKVRCSA-N 543.417 7.090 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 104973885 PXVPLJRNAUWORP-YVLHZVERSA-N 580.198 7.355 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CCNC(=O)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CNCC(=O)c3ccccc3)c2c1O 150363136 QZSGWOUYLZFUPQ-BBVZEPAPSA-N 896.998 6.950 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/[C@@H]1CC(=O)OC1=O 159364175 OHPDUABGEYJECH-KTAVHQGDSA-N 687.191 15.866 50 10 KKGE N[C@H](CSSC[C@H](N)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1)C(=O)N1CCn2cc(-c3ccccc3)nc2[C@@H]1CC1CCCCC1 164523197 GGDNOAWICIHSAW-DEQCHUKUSA-N 795.136 7.857 50 10 KKGE COc1cc(OCCOc2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)c(OC)c2)ccc1C1C(C#N)=C(C)NC(C)=C1C#N 198707720 MJDSNIZTXCFJHV-UHFFFAOYSA-N 588.668 5.726 50 10 KKGE Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NNC(=S)Nc1ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c1)c1nnc(C)n1-2 198939442 DQQASBQYBODFJE-PMERELPUSA-N 804.310 7.489 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205653300 DIPDJGJEHZYFBE-JUAUWDIFSA-N 538.644 6.618 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Br)sc1Br 236125293 SVIRUIZFHOLRHA-SECBINFHSA-N 507.842 6.659 50 10 KKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 252610022 HYAZPIZGIXYZJN-UHFFFAOYSA-N 526.401 6.343 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 252620342 MCDSIJVDVFTZGO-UHFFFAOYSA-N 522.634 5.284 50 10 KKGE CCN(CC)c1c(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c(C)nn1-c1ccccc1 253573715 RTAOUOLUVQYHLG-KEIPNQJHSA-N 593.761 5.462 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(OC)c1OC 254620274 NGYSXKFUBYYJFK-UHFFFAOYSA-N 540.692 5.252 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254702809 BVJATMRFZZBDQN-UHFFFAOYSA-N 582.465 5.558 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 254764243 QOBKYPHYKAEBJF-VWLOTQADSA-N 530.628 6.344 50 10 KKGE CC(C)(C)c1ccc(COc2ccccc2C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 256028464 OFJVJQLHLMTEQR-UHFFFAOYSA-N 516.692 6.324 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccncc1Br 702846382 UKASNRUXCJVYIK-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE BrCC(CBr)(Cc1ccc(I)cc1)C1CCCCCC1 711299374 NSXIDXZFVVSTOU-UHFFFAOYSA-N 514.083 6.580 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(I)cc3)c2O1 720054226 UBSJXNFZOMJRSX-PSLIRLAXSA-N 507.991 5.861 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721583915 BTQUXMDPOFNYTH-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE CN(CC1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)C(=O)OCc1ccccc1 725239126 XCUDBIGADQYQHI-VWLOTQADSA-N 594.055 5.807 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 725410524 IIKWUGVVHZPNOY-XMMPIXPASA-N 529.406 5.530 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 725418420 MUYGEXMCBGPGLK-UHFFFAOYSA-N 579.078 5.030 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1 725428305 LSFZZEZBFQIRRW-UHFFFAOYSA-N 609.546 5.601 50 10 KKGE Cc1ccc(NC(=O)Cn2cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)cc1 1083899237 BNYMMWXHPQQSFZ-UHFFFAOYSA-N 529.394 5.861 50 10 KKGE O=C(COc1ccc2c(c1Br)CCCC2)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084059209 ZGIUQESQARPJMD-UHFFFAOYSA-N 527.846 6.089 50 10 KKGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084073743 CRDIHKUGYRGEMV-UHFFFAOYSA-N 628.548 6.527 50 10 KKGE CSc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084133302 RIVHSYLLMVOPAX-UHFFFAOYSA-N 515.660 5.568 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 1084214057 XEIDXRPSEXKSIL-HSZRJFAPSA-N 545.861 6.044 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1 1084231289 RSEIDFBGXALUQZ-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084292340 MWORBRBZSVJBAO-QFIPXVFZSA-N 639.561 5.595 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084294845 QGDIPJCJODEDSV-UHFFFAOYSA-N 500.920 5.332 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 1084310089 UNCSMNWPXATMBX-UHFFFAOYSA-N 532.507 7.054 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 1084345272 CCOUKTOTZMLMEC-MUUNZHRXSA-N 557.607 5.552 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084452936 NMJSDGFJOGSTCG-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl 1084548781 HEMDCUKRRYASMJ-UHFFFAOYSA-N 520.485 7.354 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C 1084644892 JRMKXPSMTIAZPZ-KRWDZBQOSA-N 504.881 6.449 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCc1c(Cl)cccc1Cl 1772754532 XXMFQZJSAQXVAR-UHFFFAOYSA-N 538.225 5.873 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 1772755388 DXECLYPNASXJGU-UHFFFAOYSA-N 576.285 5.891 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1848434284 CNBLTHBPVHYRAS-OCFXBUNHSA-N 514.911 9.597 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OCC 1865687713 YMFIYYVELQZKLE-VWLOTQADSA-N 502.615 5.764 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865689487 AQBTVUKLKUGXTK-MHZLTWQESA-N 524.596 6.143 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689713 CTUOFGXFMRAEQC-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690744 ZZRYZGHUFUEIDH-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865691461 SJZDOOVSUZYEAH-LJAQVGFWSA-N 522.649 6.774 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865692997 HENFKFCPBZBUSV-SANMLTNESA-N 527.024 6.267 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865694968 GWDXMDTWIWNXAN-HHHXNRCGSA-N 506.606 6.335 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCCCc1ccccc1 1865696669 ISNNDZLLWOQSQI-NDEPHWFRSA-N 561.469 6.726 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cc(Br)ccc1F 1865701835 GLYABAJDZFAPFO-OAHLLOKOSA-N 513.676 5.664 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865701842 GPGAVPKHBQNDGK-NRFANRHFSA-N 521.777 6.312 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865708718 DRFDZLQSHLQMQX-HHHXNRCGSA-N 564.086 5.342 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711621 CVRNBKCZZRBWBL-QFIPXVFZSA-N 515.397 5.045 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867188962 DMRJUKAEAYXQCP-RUZDIDTESA-N 584.771 6.148 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(C)CC(C)(C)c3ccccc3)n2)cc1 1868527704 GOUFHKCLEPLUAC-UHFFFAOYSA-N 509.679 7.273 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872751055 RKBCQSUZGZMCRY-VYNQKWRLSA-N 509.971 5.089 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 1872756124 RXTWKYNGBNJICX-YRUIYKTESA-N 513.707 7.387 50 10 KKGE N#CC(=C(Nc1ccc(F)cc1F)SCC(=O)NC(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 2053622950 WTECFHLZTHEBJG-UHFFFAOYSA-N 568.674 7.518 50 10 KKGE COc1cc(C)c(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C 2079245703 LRPBMEJYOYCPRE-UHFFFAOYSA-N 503.100 5.075 50 10 KKGE Cl[C@@H](C[C@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2085493119 XUPPAESDUUCGBB-MUWHJKNJSA-N 526.288 6.443 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)Cc2ccccc2I)c1Br 2138871090 MDBHODHRRASDJL-ZDUSSCGKSA-N 514.426 6.647 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1C1CCC1 2141470041 DLIDZZCIVGUWPU-KXEKKFMESA-N 536.327 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23CCC(CC2)C3)c1Br 2141470969 MMTNUYKESVOVAP-OFBKNLNESA-N 580.778 7.753 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Br)s1 2213492307 NVCRLGWMWVQEKO-LLVKDONJSA-N 507.842 6.659 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2224307239 LMOLWLIZVNBXOA-MRVPVSSYSA-N 514.803 6.076 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)c(C)c1Br 2227359670 KLMXLZOQPNMBLT-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232512624 OCTWWLCWIAREBH-LLVKDONJSA-N 526.252 7.795 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)s1 2233024396 WQKSSEZNCJVQNL-CYBMUJFWSA-N 550.481 6.789 50 10 KKGE C[C@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234062773 CCRQGYVARCWMQP-GDBMZVCRSA-N 511.689 6.383 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1scc(Br)c1Br 2263514111 WVRVLUOGVRTVBD-SNVBAGLBSA-N 538.324 7.321 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 2296033257 WJRUQBHMWPLNEI-MHZLTWQESA-N 511.647 6.103 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2296724860 PVJUBDIKPPEYGG-UHFFFAOYSA-N 505.983 5.404 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2297459348 MOFWGRUBDMAKPL-UHFFFAOYSA-N 518.986 5.403 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2297468382 JLCXIRLXPSRUMP-HSZRJFAPSA-N 526.420 6.506 50 10 KKGE CCN(C[C@](C)(CBr)OCc1cccc(I)c1)C(=O)OC(C)(C)C 2302681171 ANOPBAMYAPISHH-SFHVURJKSA-N 512.226 5.218 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 2313568085 RBRQRIYMJVLTDE-UHFFFAOYSA-N 547.409 5.192 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(F)c1 2313630760 RNCOEQDREXKORT-UHFFFAOYSA-N 501.583 6.161 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2314443446 GUAATFIVQGRSQL-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314455041 LHBBUZFDXSSAKF-GOSISDBHSA-N 529.070 6.491 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2314531702 CXYLYGDLQBQIPG-UHFFFAOYSA-N 512.997 6.292 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592170 NAPGMIHRDDRZBL-AREMUKBSSA-N 566.510 7.190 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314616713 HZTJIFGGOPNTLC-UHFFFAOYSA-N 586.692 6.828 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 2314618478 OGUBYLSTLYQMDP-UHFFFAOYSA-N 532.600 6.104 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314619603 CHPYRGBPWWYAIF-XMMPIXPASA-N 666.203 6.406 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c(OC)c1OC 2331413892 UNTUCRMDLLSKIL-UHFFFAOYSA-N 520.348 5.390 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336050815 NIMYDAUFSRRUPE-FQEVSTJZSA-N 502.580 7.397 50 10 KKGE Fc1cc(F)c(CBr)c(Oc2cc(Br)cc(I)c2)c1 2338755961 VFQGMOBURRJHST-UHFFFAOYSA-N 503.906 6.019 50 10 KKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(I)c1 2340045189 DLWNXEFGQHNUNM-ZDUSSCGKSA-N 579.295 7.148 50 10 KKGE C[C@H]1CCC[C@@](CI)(OCc2c(Br)cccc2Br)C1 2340604839 YUAQTRTYFOFJEB-XHDPSFHLSA-N 502.028 6.112 50 10 KKGE Cc1scc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2343563409 JAIDDJDBAFXWDZ-GFCCVEGCSA-N 617.220 8.197 50 10 KKGE C[C@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CCCC1 2368848213 WOGGAGIYPNSERE-JTQLQIEISA-N 515.027 5.222 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2377313720 DMKSMIWKXXQWEE-CABZTGNLSA-N 526.960 5.344 50 10 KKGE N#C/C(=C1\SC=C(c2ccccc2)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 3190758 DBWXZVYDOMXTGQ-AZPGRJICSA-N 504.619 5.548 50 10 KKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 33568629 JJURAJXOJSGZNO-RRAHZORUSA-N 506.634 8.394 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826405 OLAKIAFVGCBNEH-WGPBWIAQSA-N 507.590 5.607 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 40868095 NJEDMQLLXJBCNZ-KHSOTRJGSA-N 527.573 5.680 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2OC)cc1OC 40970133 WJRNJLIIJBUVLB-CXNZIMQDSA-N 520.626 5.715 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cc2ccccc2cc1O 59147673 KHXYWGHQMORHCO-JRXWSOMVSA-N 508.641 7.055 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914935 RYYUPVJXTIEPIR-HHHXNRCGSA-N 505.099 5.932 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100080073 WBCBZGBYXOGXRC-UHFFFAOYSA-N 551.496 5.007 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 100237339 JACLCBYUUSHVIO-LCVHJTKWSA-N 531.436 5.944 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101240950 RZJIVQDZKBIWNM-PDRDJSIMSA-N 537.729 6.895 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242322 ZPDJNNKPUXUASJ-IVYNLYIOSA-N 528.417 5.338 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246044 LCNMGWKGMPZVKT-SJCFVWOQSA-N 550.511 7.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101368088 KRXCBVORBMQRLQ-SSEXGKCCSA-N 563.050 6.429 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101373716 AYQGMNIIKCYIQZ-LJAQVGFWSA-N 563.050 6.347 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380554 SYHRGZMFLJLJNR-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384969 YAITVMUNIRWODH-JGCGQSQUSA-N 601.486 7.337 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101388248 YOWBULUECUBIQX-QTYPKTMWSA-N 615.057 7.048 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101388251 YOWBULUECUBIQX-CGKQSPDFSA-N 615.057 7.048 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101393325 NZLNUJSVHQKSRE-WDYNHAJCSA-N 542.588 5.084 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101396913 VBWKPUQMBFEJCX-RUZDIDTESA-N 579.505 8.214 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1Cl 101399208 IRAJXBMOZVJSCA-MGBGTMOVSA-N 621.089 8.036 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399796 FETMVRYVCWGUMN-JGCGQSQUSA-N 607.062 7.810 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CCC4)ccc21 101601876 AOTIAHCCLWBWFV-PPFNPFNJSA-N 584.032 7.000 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611879 HETOLWHIJBUZOM-UXHLAJHPSA-N 530.408 5.700 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 102779695 SGCNZMBYDLZWOU-MUUNZHRXSA-N 545.076 5.360 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103796945 RIHNUBUBNCLKNX-ZCTHSVRISA-N 544.449 6.553 50 10 KKGE CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806525 LPKQQQZNQYJQGM-GFZJEBFASA-N 565.677 5.676 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N 103880396 REIPIWBAJDJMSR-FMFFXOCNSA-N 553.460 6.610 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105054018 IURSIBSTSRDFRR-VTNSRFBWSA-N 533.411 6.864 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 105420780 UEVKAISZYVPGLJ-IWBSIUBASA-N 563.764 6.895 50 10 KKGE N#C/C(=C1/S[C@@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 108809988 CUPJPFVLVXMXPO-MSIJFGFCSA-N 603.630 5.674 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433709 JLHAGEXLKMPWIA-JGCGQSQUSA-N 720.403 9.226 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 150497364 YMAMPIMHHWQVAX-OCSSWDANSA-N 655.538 6.971 50 10 KKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1 164199106 LZVWSXSZOCUZQI-LTTYKRRRSA-N 668.367 5.572 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214262626 CWXNKVRPAIVHPO-AUSPTEDFSA-N 522.649 6.273 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214404957 ILOWKUGTKIWIQH-PKAZHMFMSA-N 540.591 5.647 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2Br)c1 232481806 NYZOITXAKRYLBZ-ZDUSSCGKSA-N 562.719 7.221 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1 233818598 SGPVSIOPBTZITO-GFCCVEGCSA-N 533.905 6.919 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3OC)n2-c2ccc(C)cc2)cc1 254303215 JLVZMXZDOFCRCG-DYRUROPNSA-N 513.623 5.167 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)ccc1OC(=O)c1ccco1 254573537 RNIFCVVXXLFUEK-UHFFFAOYSA-N 546.579 6.517 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccc(OC)cc2)cc1 254615146 VVAJQDUPTVBQRV-UHFFFAOYSA-N 541.555 5.213 50 10 KKGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 254791747 RADDBQUUHZDEPW-SMRVTIBZSA-N 641.522 5.664 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 254794302 FSTRUKUSFXKPJB-UHFFFAOYSA-N 541.673 6.272 50 10 KKGE CCOC(=O)C1=c2sc(=Cc3cccc(Oc4ccccc4)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1 254800055 DONZCOSUQYBLMX-HKBQPEDESA-N 613.695 5.485 50 10 KKGE CCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300475092 TUDBZXDZCRVJQM-NQBHXWOUSA-N 521.869 5.684 50 10 KKGE BrCC(CBr)(Cc1ncccc1Br)c1ccccc1Br 312765161 XIYCMUGXWVTKPU-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE Cc1c(Br)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382694854 SVRAQIGZXCNIPU-SJLPKXTDSA-N 514.201 5.545 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 504065229 HJLUMXKBLFPFLT-DQYYYBJRSA-N 936.301 7.359 50 10 KKGE Cc1sc(C)c([C@H](Br)c2ccc(I)c(Br)c2)c1C 722483412 IPVVOEZZPUMDRJ-CQSZACIVSA-N 500.037 6.525 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1Cl 1083887282 ZBVGRIQYAQJNNA-UHFFFAOYSA-N 540.019 5.936 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1083930350 SQFSZXMQSOUZGZ-MKMNVTDBSA-N 561.079 8.732 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1 1083993916 BBHDYEIOCDLDBP-UHFFFAOYSA-N 672.086 7.044 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(I)cc1 1084025329 LDTODDXTZKBNGY-JOCHJYFZSA-N 593.259 5.597 50 10 KKGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084267173 DLHXVOZFOIZIGF-UHFFFAOYSA-N 509.440 6.332 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(Br)cc1Br 1772754527 XXCFDAKUXIYVDE-UHFFFAOYSA-N 506.194 5.293 50 10 KKGE O=C(CP(=O)(c1ccccc1)c1ccccc1)Nc1ccccc1OCCOCCOCCOc1ccccc1NC(=O)CP(=O)(c1ccccc1)c1ccccc1 1775938081 AYXFVKHSLIZUNF-UHFFFAOYSA-N 816.828 7.083 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](Br)[C@@H](Br)C(=O)O 1848435900 JOLREBYKWXMPHC-UWPQIUOOSA-N 700.443 8.090 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865687251 NBHCFKXLLODFDI-LJAQVGFWSA-N 550.659 6.652 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688346 PWPZSZJLMSLKCY-DEOSSOPVSA-N 545.437 6.063 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691079 IPOFQNVILUNUMQ-OAQYLSRUSA-N 532.950 6.009 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865694559 ZGWPFZSRGKOTBG-JOCHJYFZSA-N 513.425 5.816 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696340 ZGVUTEOAAOGSRT-MHZLTWQESA-N 527.024 6.202 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696937 LOHYAPIUQJJWMF-RUZDIDTESA-N 541.479 6.596 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865697077 WJEVGCYCWYNGKI-QHCPKHFHSA-N 544.549 6.275 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865697367 QRDNEMHCCKKPRK-QHCPKHFHSA-N 509.404 5.349 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865697565 WOWDVPOAHNRDHP-NDEPHWFRSA-N 536.632 6.013 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1865700739 CFSPSKUWGOPJDV-SANMLTNESA-N 533.415 6.293 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703560 BHIUHCYYJIQPSJ-RUZDIDTESA-N 551.861 7.192 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704291 RXMZIIMMIPOJRM-LJAQVGFWSA-N 553.449 7.438 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706634 BJGOGBLBKZTRHD-MUUNZHRXSA-N 524.068 6.392 50 10 KKGE CSCC[C@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866665390 NNKMDRPSCZKJDL-FQEVSTJZSA-N 515.060 5.296 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCC(C)(C)c2ccc(C)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866790506 AMSFOJOLLCHHKU-NDEPHWFRSA-N 543.689 5.918 50 10 KKGE COc1cccc([C@H](C)CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867113792 UGKRIGYXMLETBC-FQRUVTKNSA-N 519.692 5.819 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868301721 VRBVAFZQZVQZOA-SANMLTNESA-N 518.646 5.715 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1C 1868434238 YVRMVQQVEOFXTJ-UHFFFAOYSA-N 570.118 7.530 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915105682 KLKBRJVFEPPXME-ZDUSSCGKSA-N 551.060 5.870 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1923054870 LEQXKFSBDOCICJ-VIFPVBQESA-N 538.324 7.482 50 10 KKGE CC1(C)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568919 NJPYQRUNOUXGLH-UJURSFKZSA-N 517.853 6.763 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 1924609505 YORJJNDYCCREIR-VXNVDRBHSA-N 521.938 7.442 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Cl)c(Br)s1 2003649653 MHENDDXEXKBKCO-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE C[C@@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085494674 NCJSKIUVVAKAST-FFWSUHOLSA-N 534.258 7.308 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)ccc1I 2137649076 TUYGOOVOUMEVQG-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE C[C@@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141468079 GFIJBKPELALVSQ-FFWSUHOLSA-N 552.248 7.605 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)cccc1Br 2150493393 AQBRMAZFKFUMHD-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206393745 AZRVULJAXBZAMG-KKFJDGPESA-N 596.821 8.389 50 10 KKGE Cl[C@H](C[C@H]1CCC12CCC2)c1c(Br)c(Br)cc(Br)c1Br 2206398417 UXNDXOZRKFEBTH-LDYMZIIASA-N 550.354 7.987 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccccc1OCc1ccccc1 2218598659 UUFNHZATDIGPIH-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2218655009 LSULJKRDYCCWIJ-IBGZPJMESA-N 575.776 7.954 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509234 BVVWZZZFGAMQJC-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277890083 SOGQPHLLHCEQKV-JTQLQIEISA-N 552.351 7.629 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1 2294193469 SFOFCYALSLXKQK-UHFFFAOYSA-N 554.606 7.664 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC(=O)c1ccc(C)cc1 2295187800 RRIJBYLDTRKKGO-UHFFFAOYSA-N 514.887 6.441 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2296506804 FSTUPNAWHGZBMT-SANMLTNESA-N 516.066 6.639 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC)cc2OC)cc1 2297321175 QRUJIRINFYDIOM-UHFFFAOYSA-N 535.044 5.125 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc(I)c1O 2297321780 MYZWHJDFYGQWSN-UHFFFAOYSA-N 626.495 5.163 50 10 KKGE COc1cc(C=C(C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2297379292 LUINYNRZEUKCRZ-UHFFFAOYSA-N 537.313 5.723 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cccc(I)c2)c1 2299494940 PDIPHRROQLGCAQ-FQEVSTJZSA-N 558.051 7.117 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl 2313568129 RSDKCXATWLSMOD-UHFFFAOYSA-N 576.922 6.666 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Br)cc1 2313630694 DWWVTDCSWMRNNN-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 2313730204 FHOIVLSSIHYHPV-UHFFFAOYSA-N 521.411 5.659 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OCC)c2)cc1 2313738674 NWKGENUXGTZVJX-UHFFFAOYSA-N 511.405 6.915 50 10 KKGE Clc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314441770 BOAWCLIHWDFEKH-LJQANCHMSA-N 545.496 7.928 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593615 PYWZSCCMLOXIJZ-RUZDIDTESA-N 502.039 5.700 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCC)C(=O)C(C#N)=C2C)c(C)c1 2314609978 BFHZCUUYAFWJBP-UHFFFAOYSA-N 522.649 6.419 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634813 PAENIRUTMTYOIA-HKBQPEDESA-N 593.507 7.798 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 2314643097 BESUREJESSVFDN-UMSFTDKQSA-N 574.652 7.539 50 10 KKGE COc1c(Cl)cc(CO[C@](C)(CI)CNC(=O)OC(C)(C)C)cc1Cl 2317893846 RGMMZZWEPWVZEG-QGZVFWFLSA-N 504.192 5.237 50 10 KKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331231968 WYWCXTLZEPQKCN-AREMUKBSSA-N 505.599 6.591 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 2331293858 LJZPZRTZZVGINZ-UHFFFAOYSA-N 511.990 6.252 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339228 PELDSASFPLVXTJ-QGZVFWFLSA-N 501.995 6.471 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(Cl)s5)cs4)cc3C2=O)c1C 2331400617 CFSRPFJUSCOWLZ-UHFFFAOYSA-N 518.019 6.892 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2331416261 ABWDHYTYWSAAIZ-UHFFFAOYSA-N 523.496 7.703 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCCC[C@@H]32)c1Br 2333521116 VABSUENKWMRHQR-RHXIMWGOSA-N 537.937 6.677 50 10 KKGE Cc1cc2sc([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)cc2s1 2336081867 VTGSRIMJRFTTQT-NRFANRHFSA-N 508.300 8.097 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@@H]1Br 2349823852 GNMIKFVQQHWXHT-SWLSCSKDSA-N 501.044 5.582 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(F)c(Cl)cc2Cl)C1 2349886927 OWTDONOSCLAPHM-GOSISDBHSA-N 518.194 5.854 50 10 KKGE COC1(C(F)(F)F)CC([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361199329 YHRPWCLWBTZHCT-WHDUELSGSA-N 508.172 6.822 50 10 KKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362254696 MUUFZIXKFGDDOT-LHLIQPBNSA-N 513.448 5.265 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2scc(C)c2Cl)c1Br 2365189001 QHWQHUDMIDTLNN-NSHDSACASA-N 503.481 7.036 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccccc2I)c1Br 2365198328 ZPHBIHJAUGHKNG-CQSZACIVSA-N 530.425 6.461 50 10 KKGE C=CC[C@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2377318874 VOFUINWILQQVHS-MRXNPFEDSA-N 513.055 5.607 50 10 KKGE O=C(Nc1ccc(Cl)cn1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3143308 ALEVWPVYDCXYJH-NVQSTNCTSA-N 578.008 6.486 50 10 KKGE CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 6073967 OKXMQSRXSUXSQL-WCIBSUBMSA-N 543.555 5.244 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 38606647 DWNVNBHYBNVZEV-YZSQISJMSA-N 524.621 5.264 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 38686883 DJJYJXOPQCKDAG-SSEXGKCCSA-N 506.533 5.771 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812913 JYBTXEBPMVDNBN-VFCFBJKWSA-N 506.400 5.414 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814541 MZRYBURXIBYKIX-TURZUDJPSA-N 515.353 5.455 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 58892271 SKKRYSASPYAFDY-UAWDSHSBSA-N 517.582 5.265 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 59117031 JYHLBIZYGVXCND-YVLHZVERSA-N 502.195 6.881 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 59117407 URSPEJDBOAASHV-PDGQHHTCSA-N 511.361 6.166 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59303870 DFSVXKPPQHGWQI-FOKLQQMPSA-N 508.166 5.295 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12 59676637 ADIQUTYGCFEDAG-SGWCAAJKSA-N 517.629 6.073 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)Cc1cccc2ccccc12 100064246 UWLYRZDRULRNHR-UHFFFAOYSA-N 542.227 5.287 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174786 WMCWNBFPCJIHNE-UHFFFAOYSA-N 544.833 5.023 50 10 KKGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100198324 IOZBEIPIRKIMSS-UHFFFAOYSA-N 542.268 5.136 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 100236378 INDVCFSMIZWFCS-BZCOGROQSA-N 591.502 6.553 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369502 VTRTWSUMJCITOB-HHHXNRCGSA-N 539.931 6.478 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379918 SPTDJDOAZIJJED-MGBGTMOVSA-N 595.095 7.419 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101392521 WEUYPEYWHHJZCG-JOCHJYFZSA-N 553.423 6.663 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1Cl 101393602 PDZHLWKBGQDPSB-XMMPIXPASA-N 604.284 6.991 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 101397174 YJNWGUDUUCGMTN-XZWHSSHBSA-N 540.616 5.999 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)oc2c1C 101398940 ASVWKQGIWGXISE-HKBQPEDESA-N 625.508 8.681 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602849 YLNIUTRXPGBCRC-JBASAIQMSA-N 563.395 6.069 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1OC 101609851 HYPOVIBDIJTMIZ-LZBRRTOVSA-N 565.670 5.566 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 101799100 RKWZRYCPSCNVLM-HEHNFIMWSA-N 541.486 6.334 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OCc1ccc(Br)cc1 102933051 KVXWQMPJSHZAQV-YVLHZVERSA-N 610.224 7.364 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3[N+](=O)[O-])cc2Br)c1 102933426 BABUDMDFRAFLHH-ZDLGFXPLSA-N 571.225 6.553 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C#N 103888314 WALLYZQPRSXDKF-UUYOSTAYSA-N 563.395 5.995 50 10 KKGE O=C(CSc1nc2ccccc2s1)Nc1ccc(SSc2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)cc1 150426831 OZGQNFCNGRUQPB-UHFFFAOYSA-N 662.934 9.167 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12 164623583 VGHLJMVQQDCXRR-BKATUZMVSA-N 658.596 9.110 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(I)cc1 164707010 RPZMKTPZPZVSTM-XQNSMLJCSA-N 672.361 6.287 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 205657288 LVJGGXXCQSRALC-CBSMRTRBSA-N 552.671 6.864 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214334697 QSNWBXHWEBVSQF-NWUVQHAMSA-N 546.602 6.431 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214362428 DIFKJQYVUJDTIH-PKAZHMFMSA-N 504.634 6.390 50 10 KKGE COc1cc(C=NNC(=O)C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1 252623346 OOYDZRXDPZZURX-UHFFFAOYSA-N 724.406 5.987 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254290866 PCPRSMQTPCPCJY-UHFFFAOYSA-N 522.730 8.154 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254584044 ZBJVBNROQHRKCT-UHFFFAOYSA-N 544.736 8.609 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254677592 KQKJWILOEWEBIT-UHFFFAOYSA-N 545.734 5.415 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 256019298 RZGJSQALJYBLKL-XGFFMVSESA-N 622.398 5.881 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C/c1ccc([N+](=O)[O-])o1 306146551 JTUXTPWYZXWOIB-GQVNIMPJSA-N 630.445 5.580 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)c(I)c1 701090699 BWWNPLJZVBWEOF-NSHDSACASA-N 505.897 5.955 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725386767 WSWHECYAJMTWCR-UHFFFAOYSA-N 578.090 5.663 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cc(Br)c(O)c(Br)c4)c3C)sc3c2CCCC3)cc1 1084060544 KKDDJENERHPWHI-UHFFFAOYSA-N 684.454 7.590 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084101138 KMRUIJUVDKNSCD-UHFFFAOYSA-N 639.988 6.106 50 10 KKGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084170546 QGTPJAOVXNPNJH-UHFFFAOYSA-N 593.551 5.141 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 1084325552 ARWMXHVCZIQJLG-PMERELPUSA-N 587.543 6.395 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748352 WKNBJKFDAQTTDP-HXUWFJFHSA-N 503.602 6.317 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682118 GJDPSFUCDRRVNM-DEOSSOPVSA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682520 QQNDJPXDPHGZFQ-AREMUKBSSA-N 525.052 6.776 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865692130 BGBASGVFBDETRN-MHZLTWQESA-N 541.051 6.988 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704840 FVMZBWDGPHCGIX-DEOSSOPVSA-N 527.378 5.381 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865709142 OZOSEBQSIRSVIY-DEOSSOPVSA-N 569.584 5.145 50 10 KKGE CSCC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866679957 DNTJTFOLHIADHU-QHCPKHFHSA-N 536.723 5.940 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866694445 JTWLHHHVMKYPJR-WUFINQPMSA-N 506.631 5.347 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868207208 JRRHEOLINGZEBU-UHFFFAOYSA-N 536.705 5.757 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414924 QJRMZZJMUNRIFB-XMMPIXPASA-N 534.472 7.345 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)c(Br)c(OC)c1OC 1872758183 OQOSEOPAAFTWJO-YBEGLDIGSA-N 513.822 6.263 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)s1 1922893378 WGUWVXGQQKCPCY-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE COc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923065541 DPPOJRIBNHNKPA-SECBINFHSA-N 509.872 7.026 50 10 KKGE Cc1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924594761 PMQAJVDQUGDKLE-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Cl[C@H](c1cc2ccccc2s1)c1c(Br)sc(Br)c1Br 1924601527 YDSVBTKPQXZGBO-LLVKDONJSA-N 501.490 7.579 50 10 KKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925583827 GDJZIRPMEPTROY-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925586075 UWAUCBLSAVNBJD-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Brc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1 2024279848 RXPANWPTEQLJGC-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2083333393 GSNDNENSUKLYLD-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE F[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501190 WRGZWMUHLKNNFH-OXOINMOOSA-N 572.730 7.311 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2125299408 RTAGLDLTXBEVOC-VAMGGRTRSA-N 503.775 5.440 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2148753763 XLRGLGGCVNWFQP-CQSZACIVSA-N 527.876 6.775 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cc(Br)ccc1Br 2175142833 UTZWCQXNOHIFEJ-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2scc(Br)c2Br)c1C 2213633285 UMWXHJDXPXYTQW-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Brc1cc(I)cnc1N1C[C@@H](Br)CC12CCCCC2 2232275237 DXQWFJRQVKWAQN-JTQLQIEISA-N 500.016 5.125 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sccc1Br 2259999788 UUIINFLNIKXCSY-VIFPVBQESA-N 525.832 6.798 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1csc(Br)c1Br 2263514794 GPKHQUZEBGNUHB-SNVBAGLBSA-N 538.324 7.321 50 10 KKGE Cl[C@H](C[C@H]1CCCC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2281370799 JEYJDGRIHVTSMF-LDYMZIIASA-N 550.354 7.987 50 10 KKGE Fc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288495198 QJPOEBQBXCHUNL-LLVKDONJSA-N 537.793 6.876 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(F)cc2)cc1 2293198233 LXBVYRNRXSFYBD-QHCPKHFHSA-N 526.420 6.506 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(I)c(OC)c(OC)c2)cc1 2293320682 RFTSKIGJOMYSAG-UHFFFAOYSA-N 660.940 5.729 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295267273 KIHMJCAAQXHGJJ-LLVKDONJSA-N 550.285 7.445 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 2295680586 YHMFJDHWZIKCFP-UHFFFAOYSA-N 535.578 5.700 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1C 2296729539 WPIALHCRDKZXJO-UHFFFAOYSA-N 506.606 6.581 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834386 DSGZYDLXYYXXID-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE CCOc1cc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)cc(Cl)c1O 2297322547 BAWSEQVQIBHNGJ-UHFFFAOYSA-N 585.474 5.261 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2297458650 PQEDMIABRXLSED-NRFANRHFSA-N 587.293 5.547 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534430 DEEZIUXYRDDKSU-LJQANCHMSA-N 531.107 7.645 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2ccc(I)c(Cl)c2)s1 2300994213 MCBMXSLXTKFYFF-SNVBAGLBSA-N 529.395 6.592 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518390 AGGFTCYRXMKHGK-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Clc1cccc(Cl)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450424 ZAGMFEWSTAPYAW-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2314534006 VZJOEBFWSWCQPM-UHFFFAOYSA-N 546.549 6.657 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592014 JTEYRVKNHATVSE-XMMPIXPASA-N 504.011 5.722 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(CC)cc3)C2=O)cc1 2314592595 YILCBDWZPUIJIG-GDLZYMKVSA-N 523.702 6.965 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314610756 LWZFGTZSURNBRZ-UHFFFAOYSA-N 594.646 7.050 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314617109 QXDIHVMQKXOQFW-UHFFFAOYSA-N 512.537 5.214 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314618387 MRRBPBDQESKXKP-GDLZYMKVSA-N 640.743 8.625 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 2314640719 QNSGNXJWSUBRLH-XIFFEERXSA-N 528.608 6.719 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314647010 YWBUDWCHIOSEKV-SSEXGKCCSA-N 676.795 5.952 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OCC)cc1OC 2314735919 JQDNEUSZCBRTTN-UHFFFAOYSA-N 521.610 6.142 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(I)c1 2317773311 BZOLXVXWGCLSAZ-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE FC1(F)[C@H]2C[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]21 2329710181 PHMZCWOULCLYRV-NRFSWKIWSA-N 543.891 7.153 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364613 QLKPKMHDRYNSJL-GOSISDBHSA-N 508.043 6.552 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)Cc1ccccc1I 2360497330 PBIPBMFKZDIYEN-QMMMGPOBSA-N 508.383 7.022 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2380889769 NSOWDWCALOCZHQ-ZDEZVYLVSA-N 503.353 7.029 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14036680 XUPWIFNUNAGEEG-UHFFFAOYSA-N 501.627 5.736 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1 33656619 SDPYQSHDSZIGMG-STBIYBPSSA-N 515.591 5.968 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCCC(C)C 38684353 ARVIKZBXVHTXKZ-PMERELPUSA-N 512.606 5.876 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1 58892823 RVMPKPITPMWISZ-WVVPCBRLSA-N 511.416 5.391 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100163962 MNOQDMKHLIDBAJ-UHFFFAOYSA-N 583.508 5.138 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100164014 RSQBWZVLJFWPOS-UHFFFAOYSA-N 556.482 5.010 50 10 KKGE CCCCCCOc1ccc(OCCOc2ccc(/C=C(/C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2OCC)cc1 100173845 XBMNRPJZDVEKBT-QYQHSDTDSA-N 612.752 7.670 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)cc1 100188394 GTLMPYVYUGXBAX-UHFFFAOYSA-N 580.523 6.136 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100189049 OVGXHXSTFPLCJS-UHFFFAOYSA-N 540.892 5.445 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101293531 AZMUULDEXANYJT-WJOKGBTCSA-N 565.025 6.921 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101334345 SSQKYFULYULIFV-ZOCNZVAZSA-N 542.639 6.509 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OCC)c2)c1 101374078 MPNNLHJMCYWHNK-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 101376951 QBLZANPEMMCIRZ-AREMUKBSSA-N 533.422 6.455 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380969 VDFFXFAPASQQTF-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(F)c(F)c(F)c(F)c5F)ccc43)c2)cc1 101382496 QIZKDGYIFKBXAF-RUZDIDTESA-N 608.519 6.472 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384792 VLPITVFSDATLOF-JGCGQSQUSA-N 615.513 8.189 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101389066 CKZHAQHKQAGSPK-XIFFEERXSA-N 629.084 7.276 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1 101392912 FBVPMPQSCWUUCP-JSOSNVBQSA-N 562.578 5.238 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398246 HZFQDJJHXNCWET-YTTGMZPUSA-N 629.540 8.497 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 101404753 HQPJUIPCOGTJPH-ULJHMMPZSA-N 586.069 6.523 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609799 VPCRPVAMGBREGJ-YQCHCMBFSA-N 549.627 5.640 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612005 KRBMJDIQTVNAOG-MDAYZVFASA-N 590.507 6.973 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614773 MNRDJWVHQPNUQA-IURWMYGYSA-N 527.824 5.792 50 10 KKGE CC1(C)CC(/C=C/C(Cl)(Cl)Cl)=C[C@H]2C(C#N)=C(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)S[C@@H]21 101629842 GGOQGNUMZDKODN-FZWPTJGESA-N 580.968 8.066 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1ccccc1 101697601 UMDRLYJFEPIUFU-LICLKQGHSA-N 549.195 6.723 50 10 KKGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 102011456 ZGKKUVVLZRPGPO-AFYIHHTISA-N 586.501 5.023 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 103741331 UGWJYIFRDDCDFS-ABPPERTMSA-N 556.009 6.144 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2ccccc2o1 103796982 VKBDGIHFDNRVNG-LGJNPRDNSA-N 528.200 6.301 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 150382843 DUKKOQKZTFSAOI-MGCJZSHXSA-N 719.155 6.201 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CS/C(NC(=O)c1ccccc1)=C(/C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 150384316 MNOMODRZGFJBJV-ARTUPURZSA-N 628.581 8.196 50 10 KKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)sc2c1CCN(C)C2 150477252 BEVQMYUGBDHEMK-ORYQWCPZSA-N 627.237 5.537 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1OC 205648796 IYGBDQWKGGCGNO-CSHDCIMHSA-N 510.590 5.838 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205777704 NYIZNYDSTISMGT-UDRUIPQISA-N 666.759 6.035 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206436138 ZWGHDBGOUJDOIM-YWJQNHIYSA-N 525.561 5.203 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206685211 DHBVLEKAAFQXHP-LYGLREHPSA-N 572.658 6.488 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 234991721 JRIVKJBTBVGJAK-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254303058 IQHJNFSGZLZZTG-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254820821 FZDJYNLFEAXPJW-UHFFFAOYSA-N 519.665 6.166 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1)[C@H]2Br 256018931 ARFXSCUBPJDMKC-YSSFQJQWSA-N 531.082 6.431 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@](C)([C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@@H]2Br 256019985 PXIALSQRXOKNBZ-OVYULKEKSA-N 642.476 8.410 50 10 KKGE CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 504153025 LJDJHYHISCPTMX-CQFFVGINSA-N 504.715 7.289 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725386533 NKERJBQYTNWFIH-UHFFFAOYSA-N 592.117 5.972 50 10 KKGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1 1083889455 WTQWVMFDRJVEJT-UHFFFAOYSA-N 697.213 6.834 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl 1083982113 HXQFTCDNRRMASM-CIAFOILYSA-N 539.857 7.243 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1084048906 HSFIWVYEJZLKIV-DEOSSOPVSA-N 706.202 7.302 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084076086 SXWLWPWPRRKZSP-UHFFFAOYSA-N 644.389 5.965 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084227385 CEHVVUWNVCWFID-QHCPKHFHSA-N 627.306 6.540 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 1084289719 GWTPRNLBROLPTI-UHFFFAOYSA-N 535.409 5.022 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2ccccc2c1 1084296487 JNAMITRUZUYZQS-UHFFFAOYSA-N 539.429 7.420 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084420358 DFZNIADALBRPOD-UHFFFAOYSA-N 524.327 5.455 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CCN1CCCCC1 1084516200 LCTAKZNOSLTHCP-UHFFFAOYSA-N 618.394 5.078 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccco4)c3C)sc3c2CCCC3)cc1 1084522436 IBXPZTYLRBNVJT-UHFFFAOYSA-N 500.624 5.952 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1 1084614561 QZETYJQGWJRHTH-UHFFFAOYSA-N 656.645 6.638 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3ccccc3nc12 1772721817 BTSWPNDUQCNJHX-JWBZLRLPSA-N 510.476 6.079 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 1772755427 HFCBAXUPBOLYAV-OAQYLSRUSA-N 515.009 6.512 50 10 KKGE O=P(Nc1cccc(NP(=O)(c2ccccc2)c2ccccc2)c1)(c1ccccc1)c1ccccc1 1857785295 FAVUPDORDVSRCL-UHFFFAOYSA-N 508.498 6.369 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865688854 CMQGIFHCEBKXSL-HHHXNRCGSA-N 557.050 6.276 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865690968 GGRRCMREBXCHFM-NRFANRHFSA-N 523.431 5.738 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865691077 IOUKSJZWUGXCFM-SANMLTNESA-N 525.008 6.043 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3c(F)cccc3Cl)cc2)cc1 1865693894 ROJMKIPMCAFVAI-SSEXGKCCSA-N 577.059 7.497 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865697070 WECHIGNGWNAIFI-GDLZYMKVSA-N 569.105 7.438 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704045 LHSBRLYFFMUZJK-SANMLTNESA-N 531.443 6.929 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1OCc1cccc(C)c1 1865706573 ZRBIGQUGBSLVEJ-XMMPIXPASA-N 564.539 6.204 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1[N+](=O)[O-] 1865709917 KADJHSHAZQBUTG-QFIPXVFZSA-N 501.905 5.517 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Cl)cc1 1866130096 ABMCISZVYZPAGF-LDADJPATSA-N 510.999 6.117 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)Nc2ccccc2)c1C 1866131997 XEKDCNJXNADCPL-SFQUDFHCSA-N 538.423 5.794 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866660675 AVLGAKULPDMTLX-VWLOTQADSA-N 547.036 5.491 50 10 KKGE CSCC[C@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867068491 VNIPCDGBIHWWLJ-QHCPKHFHSA-N 508.669 5.056 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)nc(-c3ccccc3)n2)cc1 1868365176 NAWUCXNKJIJHIX-SANMLTNESA-N 511.654 7.938 50 10 KKGE Cl[C@@H](c1cnsc1Br)c1c(Br)sc(Br)c1Br 1900419254 ORNFZOJRBOEIBO-YFKPBYRVSA-N 531.314 6.583 50 10 KKGE Brc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924594006 JRLCGZZVPOAMCV-QMMMGPOBSA-N 582.775 7.477 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1924595157 VHARKYVIICAGPG-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Clc1c(Br)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924595192 VWVUJEOUINNQSW-VIFPVBQESA-N 558.742 7.780 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1I 1924596328 MWOLYMJJLHHGJG-VIFPVBQESA-N 605.742 7.622 50 10 KKGE C[C@H](Br)CCOc1c(I)cc(I)cc1I 1962369209 DIARVHLZOJWFTB-LURJTMIESA-N 606.805 5.053 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)sn2)c(OC)c1Br 2120031066 FXVMTCDLVGRKBB-JTQLQIEISA-N 518.996 5.012 50 10 KKGE CC12CC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141467668 ALRKOUHAFVDCAO-HIFPTAJRSA-N 538.299 6.586 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2I)cc1Cl 2142279468 QPVXCRCVBVFBOC-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE CC(C)CO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 2165529418 DKYPGHOGYQGYQL-JIMOISOXSA-N 676.896 5.456 50 10 KKGE C[C@@H](COc1c(Br)cc(Br)cc1Br)c1nc(CCl)cs1 2166291477 ARQOHDUTQOUUCK-ZETCQYMHSA-N 504.469 6.352 50 10 KKGE Fc1cc(Br)cc(Oc2cc(Cl)c(Br)cc2Cl)c1CBr 2170691800 METQERWEXGZPQG-UHFFFAOYSA-N 507.806 7.345 50 10 KKGE Cc1c(Cl)cccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397823 NDRRQIPYXMAAQR-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(I)c(C)c2)cc1Br 2207110459 HIXHFTUYKYBBRC-INIZCTEOSA-N 510.007 6.163 50 10 KKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2232581269 NFKPNKNMMSLFIF-LNJITKNMSA-N 564.259 7.605 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)s1 2233033279 YWBRKRBDUFFGHU-CYBMUJFWSA-N 594.932 6.899 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2233974585 FYDVGNZHSOQUMD-NSHDSACASA-N 533.859 5.893 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)c(C)c1Br 2235610870 SWLSDRVKPCVPKO-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2293968700 XUZZTYWEMAEZFN-UHFFFAOYSA-N 541.051 6.367 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 2294217717 CPZWFPOLSMBRCR-UHFFFAOYSA-N 554.434 5.669 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1 2294619860 DATQUOYFUJICIJ-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE Cc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 2295945650 JIWBXEBHBJKNOT-MUUNZHRXSA-N 594.136 7.542 50 10 KKGE CC(=O)NC[C@H](I)CC(C)=C1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2[C@H]1C 2297470822 KGBSGBJFEOXATN-LRGJTFEXSA-N 623.616 6.746 50 10 KKGE C#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571020 LNBGLVXDWGPKMY-UHFFFAOYSA-N 527.145 5.164 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 2313630679 DQGKXPNRVJGSFX-UHFFFAOYSA-N 546.646 6.990 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 2314489241 RBIXUWZZZJSEFX-UHFFFAOYSA-N 582.772 8.411 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489993 WQIGBYZPYADPAL-UHFFFAOYSA-N 516.534 7.092 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 2314533555 RPAZGLROYVYWRX-UHFFFAOYSA-N 518.495 5.977 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571792 MBRBIIPVGJSINC-UHFFFAOYSA-N 529.780 7.091 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592865 CYRLCXGNVMXMHY-DEOSSOPVSA-N 538.456 5.745 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646861 RRYXAOZFFJIKQB-MUUNZHRXSA-N 618.715 5.163 50 10 KKGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 2321143271 VFIZLKFVBIVLDT-UHFFFAOYSA-N 500.382 5.246 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 2331331041 QVVGUECGQYIHHG-FQEVSTJZSA-N 501.608 5.770 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C(C)C)c(OC)cc4C)cs3)cc2C1=O 2331353846 COQDAPQEYLCVDB-QGZVFWFLSA-N 515.635 6.595 50 10 KKGE FC1(F)CC[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2335365498 POHYPLPNGRXRBZ-XNCJUZBTSA-N 546.269 7.452 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(F)c1Br 2340063023 GRONGUYFMBJPKA-LLVKDONJSA-N 522.352 6.470 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2Cl)c1Br 2362228497 DVOQJEMDRAYDLF-NSHDSACASA-N 526.252 7.795 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362233205 XUFXTTRECNUHAO-LLVKDONJSA-N 525.890 7.773 50 10 KKGE Fc1ccccc1[C@@H](CI)OCc1cc(I)ccc1Cl 2380345907 GRFKWLADCYXRCE-OAHLLOKOSA-N 516.519 5.777 50 10 KKGE Cc1ccc(S(=O)(=O)N(C[C@H](O)CN(C2CCCCC2)C2CCCCC2)c2ccccc2OO)cc1 33355153 PLYZYGRVQXXRNR-RUZDIDTESA-N 516.704 5.370 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 33717294 PVJUBDIKPPEYGG-HMAPJEAMSA-N 505.983 5.404 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1Cl 38700493 AOUAFBZNRXLDRE-QHCPKHFHSA-N 513.352 6.359 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38701008 JCBZLMMNIRWXQG-AREMUKBSSA-N 514.965 6.621 50 10 KKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815602 FEYAEDKCVBSYIZ-MHTZHOPKSA-N 506.602 6.358 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc2ccccc12 58892296 JSZAFHNNJNXHHV-NNRYEYMRSA-N 522.645 6.510 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(F)c1 58895354 CBAKRWLAQBNOFS-GDKBXFSLSA-N 534.628 5.895 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 96572041 IBQBJOZIYANJQL-CZSBVAQXSA-N 509.437 5.761 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(I)cc1 97353806 JWXZLGDPORKITA-VIFPVBQESA-N 508.528 5.535 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 100186649 PQNCGCNDKDKMLG-UHFFFAOYSA-N 577.328 5.430 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 100232223 AYCHOBMVCRTQBK-XZJBEKIMSA-N 545.861 6.044 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3OCCc3ccccc3)cc2)cc1 100242174 YLCADQWHMBYHQK-UHFFFAOYSA-N 594.737 5.807 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246364 YHTBGUMOZQHVKL-UZEPBSNMSA-N 535.591 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101338287 AKOYCUPXCVEOQA-MFKUBSTISA-N 517.412 6.407 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383526 WCNLXEZVAKFNSQ-DHUJRADRSA-N 599.086 7.875 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385480 QDSPUKDSJQSODU-MGBGTMOVSA-N 576.649 6.809 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101386674 CTRUFWCYKWAPBD-LJAQVGFWSA-N 567.529 5.759 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)oc2ccc(Cl)cc12 101391981 SDENJEDRUINSEF-QHCPKHFHSA-N 525.775 7.139 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)ccc6c5Cl)ccc43)cc2)cc1 101397391 ZFUFFZBIIXNRJR-GDLZYMKVSA-N 613.522 8.533 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612412 HLOVXKVMSDJODQ-AJBULDERSA-N 558.418 5.559 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 101733559 VXBKABRCADJKKH-BUVRLJJBSA-N 601.453 6.316 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Cn1nc(C)c(Br)c1C 102349442 GUFOTCZBVPDDHD-MFOYZWKCSA-N 529.822 5.527 50 10 KKGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 102453352 GBFBQYYOVYFHAY-ACCUITESSA-N 534.475 6.351 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 102463484 VHZKZDOWVPFZQZ-SZXQPVLSSA-N 528.722 7.333 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1)c1cccc(Br)c1 118878744 MYCWBWGLBABMCP-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CCOC(=O)C1=C(CSc2nc3c(cc2N)CCCCCC3)OC(C#N)=C(C#N)[C@H]1c1ccccc1F 143441786 KCVNZTDMNVXUAY-RUZDIDTESA-N 518.614 5.486 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 150408349 SIJJDTUJCFQXDU-UHFFFAOYSA-N 653.643 6.907 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430729 IYTDTPNCSYWIEM-PMERELPUSA-N 643.548 8.623 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150483795 GZYGPUHDORGMCE-JGCGQSQUSA-N 631.512 7.400 50 10 KKGE C[C@@H](CCBr)CCOc1c(I)cc(I)cc1I 155121894 VZQLIIBWFMMIOX-QMMMGPOBSA-N 634.859 5.690 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 157866914 BRHFQIGWDLGOJO-GRSHGNNSSA-N 679.252 6.491 50 10 KKGE Brc1cccc2c([C@@H](Br)c3csc(I)c3)csc12 163393942 JCGPQWCBMJCDRQ-LBPRGKRZSA-N 514.045 6.814 50 10 KKGE Cc1cccc(C)c1C(=O)N1CCC(N2CCC3(CC2)OC(=O)N(CC2CCCCC2)C[C@H]3C/C=C/C#N)CC1 169157957 RCOAPZLXDIRZEJ-HYILXCTCSA-N 546.756 5.861 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214312261 DIBRMYKTDUMMAO-MIXAMLLLSA-N 559.695 6.619 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214335816 NQNXYRDDEILACP-XIQONRSNSA-N 540.623 6.216 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 214365582 SZDRKVMGURURGG-USHMODERSA-N 520.633 6.253 50 10 KKGE COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 245297177 POIMRNZXDNXRME-BFYKDQAASA-N 563.890 7.727 50 10 KKGE CCCCCOc1ccccc1C=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 252643210 ZTKUVIIZYAGSGX-UHFFFAOYSA-N 528.074 5.563 50 10 KKGE Cc1ccc2nc(-c3ccc(OCC(=O)NN=Cc4ccc5ncccc5c4)cc3)cc(-c3ccccc3)c2c1 254520719 INZJWAUPXUIRQJ-UHFFFAOYSA-N 522.608 6.955 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1cccc2ccccc12 254826391 PNAKWFZGKMTDRO-UHFFFAOYSA-N 500.554 5.445 50 10 KKGE C[C@H](Br)[C@@H](Br)C(=O)OCCCCCCCCC[C@@H](Br)CBr 256078565 HCPKWZMVGKDCSX-BFHYXJOUSA-N 557.987 6.356 50 10 KKGE Clc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1I 312411879 XDYXCCXYTZCOCL-AWEZNQCLSA-N 575.409 5.968 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Cl)cc(Cl)c2O)C1 394801936 UPXMNIXNLKHECZ-XJKSGUPXSA-N 506.167 5.486 50 10 KKGE CNc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)c2n1 616586782 RNYXUWAQJPNBRD-RFAFHOSGSA-N 914.130 9.548 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591129 WUWBJKZWDLYUSB-WUWJBHAQSA-N 684.943 5.808 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 721589405 TVSFTQWGKIDHSF-CQSZACIVSA-N 578.839 6.448 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](n2ccc3c(N(C(=O)c4ccccc4)[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1OC(=O)c1ccccc1 888087725 KZGMPWQXAXKCOW-VOIOCNMVSA-N 686.929 8.964 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1Br 1083885913 SKPDEVXBOSPZEO-UHFFFAOYSA-N 533.176 5.463 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cc(F)c(F)cc2Cl)cc1I 1083958991 ZYJUQUBHTLFCQE-UHFFFAOYSA-N 551.718 5.437 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084033650 XEOOZXQUHQCKFF-UHFFFAOYSA-N 667.935 6.874 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OC(=O)c1ccc(Cl)cc1 1084115609 KUPMADSBARVLSD-UHFFFAOYSA-N 531.952 5.567 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 1084163518 IPIRRINABDJXML-OAQYLSRUSA-N 684.268 5.167 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 1084196072 JMPISPHUEHZBNT-XMMPIXPASA-N 556.413 5.299 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084221515 BLVDBDGKTOSEEQ-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 1084268766 HSEQSOJVAHXSOU-WJOKGBTCSA-N 543.639 6.175 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2c(C)n(Cc3ccc(I)cc3)c3ccccc23)cc1 1084417668 NLTFPQPSWWIGKC-UHFFFAOYSA-N 537.401 5.765 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC 1084454214 HUKZGGHTNSOWJV-UHFFFAOYSA-N 643.593 5.802 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 1084538242 OTLPZKOZWMORRZ-DEOSSOPVSA-N 763.208 6.600 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084568932 NKDAJUIFDLBEPC-LZYBPNLTSA-N 580.649 7.232 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084614610 LYGHPFXUWYQNEB-XMMPIXPASA-N 501.410 5.935 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743822 LJWRWSHCMRNVRF-UHFFFAOYSA-N 526.036 6.554 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746240 DACMFLLLNPRVQG-UHFFFAOYSA-N 522.557 5.731 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@@H]5C)c(C)c43)coc2c1 1772752200 YJNNMMHRBQRCHE-IBGZPJMESA-N 541.623 6.471 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 1772754640 MJPQLWNXIQCJMM-UHFFFAOYSA-N 519.480 6.378 50 10 KKGE CCCCOc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccccc2)cs1 1772755074 KRJIMPJPNDLZQH-UHFFFAOYSA-N 504.475 5.994 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1772755183 SQAPRXQELVKOBO-UHFFFAOYSA-N 558.512 6.947 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865689070 JGDFOYSKVIFQAG-GDLZYMKVSA-N 506.606 5.744 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865690161 KFXHONNODGMTFY-MHZLTWQESA-N 506.606 6.253 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 1865690287 NKCXFKGXXSWCHZ-WJOKGBTCSA-N 538.651 7.012 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865691434 RZELHPCOJSSUCM-NRFANRHFSA-N 539.430 5.357 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702889 HOSPQLADEYACOX-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865704527 XZDJPOQELUNIDR-SANMLTNESA-N 572.974 7.495 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705514 XSBFXTGYLDRIHE-JOCHJYFZSA-N 568.914 6.180 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707207 QODMKDIVMYSSAO-NDEPHWFRSA-N 507.613 5.878 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865707212 RAJIBYTTYLFLNW-HHHXNRCGSA-N 564.086 5.011 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711639 DGLQAENPHLKBNK-SANMLTNESA-N 577.012 5.643 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866599634 ODTZMUGCWRIVQR-HHHXNRCGSA-N 559.692 5.186 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868389680 ZUGREBQTAYOSHJ-NRFANRHFSA-N 508.489 6.720 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCCC4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433759 QQFOCTMAMVIJFV-UHFFFAOYSA-N 548.116 5.248 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872758180 ONTLRNDHIABADL-SUBYVBAOSA-N 501.608 5.939 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)N/N=C/c2ccc3cc[nH]c3c2)cc1 1873497558 WNJUDVFQBUFCKS-NWJTYWEUSA-N 510.638 6.585 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1Br 1876918067 AZEJXZGMPWNKGE-CQSZACIVSA-N 513.849 6.467 50 10 KKGE COc1cccc(OC)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924600998 IBZHNIRXIBOUEG-LLVKDONJSA-N 505.453 6.381 50 10 KKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924616670 ROVYFBUMPISEOH-SCZZXKLOSA-N 525.970 7.790 50 10 KKGE Cl[C@H](c1ccoc1)c1c(Br)c(Br)cc(Br)c1Br 2025781563 HNFGWDOQXSMSCP-LLVKDONJSA-N 508.229 6.658 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1I 2026222014 SJHKOIOVSABIER-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE BrC[C@@H](COc1c(Br)cc(Br)cc1Br)CC1CC1 2050056916 KHJPSNBIHHNWDS-VIFPVBQESA-N 505.870 6.164 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@@H]23)c1Br 2057347020 RXCKJGXTTQBTDH-BZNPZCIMSA-N 521.938 7.298 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085495408 KITYARYXTMVWQE-RYUDHWBXSA-N 526.288 6.586 50 10 KKGE Cl[C@@H](c1sccc1I)c1c(Br)c(Br)cc(Br)c1Br 2085497132 VKWMTSVZRSQZKY-SNVBAGLBSA-N 650.193 7.731 50 10 KKGE C[C@@H]1[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085497227 ZOEJXGVZVRQNPM-IOGOLJMUSA-N 532.242 6.918 50 10 KKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2108660662 CAKUTGKPPBYABK-HTRCEHHLSA-N 501.456 7.578 50 10 KKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1F 2168398782 AQFFMZMHNIPVKN-GFCCVEGCSA-N 513.970 5.880 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2sc(Br)cc2Br)c1 2172408497 OTYOVELOYFRMNQ-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206394860 JJLYUKBHOJFISN-LBPRGKRZSA-N 662.154 7.809 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 2206570826 SEAAFVWKQNYVTJ-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Cc1cc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)ccc1I 2207111319 ORFAXMFIXXGQPS-INIZCTEOSA-N 528.453 7.070 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Cl 2224311713 NCZJJWIBMKAZBE-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)sc2Cl)c(C)c1Br 2227350020 FYPODZNRSWGTOK-GFCCVEGCSA-N 507.900 7.681 50 10 KKGE Clc1ccc(I)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2229150006 BCKITKZYBYFKLH-GFCCVEGCSA-N 534.844 7.039 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(F)cc2I)c(Br)c1C 2253505208 PIJCSMTVNWWPFD-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(C)cc1 2294619872 FKUHMUQRZBKJAB-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE COc1cc(C=C(C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619903 KBJXVXCKHGWTKB-UHFFFAOYSA-N 507.186 7.547 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 2295672392 UFTASPHBORTCHQ-UHFFFAOYSA-N 525.786 5.634 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2297458646 PFUDHNQDTVVLHR-QHCPKHFHSA-N 536.426 5.331 50 10 KKGE O=C(c1ccc(Cl)cc1I)N(Cc1ccccc1)C1(CBr)CCC1 2301795631 GQNVOJOEDQYHJO-UHFFFAOYSA-N 518.620 5.905 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccccc2)cc1 2313530185 PHLSYJZAIFLWIW-UHFFFAOYSA-N 548.437 5.816 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1 2313556761 KHWBUBFOHSZVHY-UHFFFAOYSA-N 621.431 5.324 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592046 KQSVKZRZSAKJGJ-NDEPHWFRSA-N 525.674 6.582 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592047 KQZUOTCDQIEAEK-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314609969 BBDYFPZANILLJI-UHFFFAOYSA-N 553.619 6.019 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 2314634045 FRKMTPOPWVQFPB-DEOSSOPVSA-N 542.216 6.593 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 2314646585 DJXNJRWTMFXBPZ-MUUNZHRXSA-N 680.758 5.783 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccoc2Br)c1Br 2315458114 JMGQGWRLGADYGY-QMMMGPOBSA-N 526.219 6.844 50 10 KKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927220 FKUWVCQLZKQWIE-BJZFFMBYSA-N 523.910 6.287 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2317411045 QIFHSIQTCAZUPK-VHSKPIJISA-N 505.870 6.138 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334906 TUXFRWGXKWFQHK-UHFFFAOYSA-N 511.490 5.428 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1[C@@H](C)CC 14648237 RESQFLQRONGEHR-SFHVURJKSA-N 505.453 5.762 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38685298 IOFNSTYJOFCDQD-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)CC1 38700418 UWVXSKFIJAKMAF-BNXSYVIRSA-N 520.626 5.833 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)c(C)c2c1 38700601 KCZARTWKGOKGDU-DEOSSOPVSA-N 502.929 6.534 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 58890169 OFZRKYMTQKKSKI-HSMHNTNPSA-N 515.379 5.140 50 10 KKGE C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1C[C@H](Br)C2=O 90470071 ADSWXPLGWUHJRG-XRGOSYJISA-N 507.060 5.716 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C)cc1Br 100172632 OEDCYSVWFIKGJL-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100190752 QGEAZYKZYHDZQN-CYBMUJFWSA-N 577.328 5.284 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 100236262 GTEHTEMCFMTVCG-LCVHJTKWSA-N 575.887 6.053 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 100238878 XUXRTKWLWLSKND-ZASBYKKMSA-N 550.793 5.633 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 100327086 RTCZRWRAPXUFSA-WGJSBGIVSA-N 566.279 6.307 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 101115325 DXXWXUIFBHNEAK-PYCFMQQDSA-N 550.615 5.815 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243624 NLNKBJGXFOIJJU-CENYYQLVSA-N 552.483 6.306 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243905 VWNKCIRAEPEIQL-RNMXVCEXSA-N 532.065 6.042 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101245509 QKCGFPRFSYCBLX-PDRDJSIMSA-N 537.729 7.526 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101332748 ZDLPIVZZDMEYMH-OVVQPSECSA-N 508.622 5.966 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1OC 101339300 ZQOBIBAHRHJOSG-KGENOOAVSA-N 537.399 6.106 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101340664 SLNPDDFCLPFBEH-ZMOGYAJESA-N 500.501 5.345 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362655 RMPBHNDGHXZUPU-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380326 VHZPYVCLLUZPHZ-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385214 OAIXZQHGZDNYOG-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387426 ZEBWDTJOSJMKPR-SSEXGKCCSA-N 603.458 7.027 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Br)cc1 102263079 IWLSUBWJKYNREQ-STZFKDTASA-N 534.410 5.931 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C(=O)OC)c1C 102924492 VWRADIMJVLVXKM-CPNJWEJPSA-N 509.653 6.318 50 10 KKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Br)c(Br)s3)cc2[nH]1 128562078 MOSPCOCBJMGYNX-JTQLQIEISA-N 545.876 5.690 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400717 KYSDFTDIRCIJQO-FUXZKKHESA-N 958.060 10.602 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 214240559 WJXMTABYJKNMRD-UQQQWYQISA-N 526.612 6.250 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214273986 JQGVULJBYJXFJV-ANRZFROFSA-N 506.606 5.419 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214307789 ISQWOMDIUQUAPW-YKQZZPSBSA-N 566.702 6.290 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1OC 214368679 DZPCSYDKEFCVFW-SJIPCVTESA-N 691.810 5.566 50 10 KKGE CC1(C)OCc2cc([C@H]3CN(CCCCCCOCCO[Si](C)(C)C(C)(C)C)C(=O)O3)ccc2O1 214911160 SJCPLGWEKRHDOC-XMMPIXPASA-N 507.744 6.424 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(I)ccc1Br 235823076 DGMCYDZHMYZCEK-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE CC(=NNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 252629512 UHYOJLLOONMERA-UHFFFAOYSA-N 536.419 5.410 50 10 KKGE Cc1cccc(Cn2cc(C=NNC(=O)C3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c3ccccc32)c1 254682541 HWUKKWPUTJXJNE-UHFFFAOYSA-N 556.732 5.474 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254761873 KVMZXMNYYQEOSP-UHFFFAOYSA-N 524.702 7.464 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 254799752 KJUZPFNRWIKQLV-UHFFFAOYSA-N 538.600 5.803 50 10 KKGE O=C(CC(=O)N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 261492819 GJNFYVDIEGLHKL-FLDGFZCBSA-N 706.347 5.641 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H]2CCC[C@H]2[C@H](C)c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)ccc2C)c1 575629823 ZBMVOFSEXRPEMA-JMUVILDRSA-N 762.799 11.738 50 10 KKGE Brc1cc([C@H](Br)Cc2nc3ccccc3o2)ccc1I 721577214 JITTUEYFWQJHLJ-SNVBAGLBSA-N 506.963 5.874 50 10 KKGE O=C(NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1 725240044 KBIZQWLSKVRWGD-XMMPIXPASA-N 524.017 6.814 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1 725416908 KTCNBBHKWRZRQI-UHFFFAOYSA-N 558.635 5.122 50 10 KKGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 1084156106 QTVSRXBLQPHDKY-UHFFFAOYSA-N 525.630 5.769 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=Cc1ccc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1084258069 NPJDYJVHSZPPJF-UHFFFAOYSA-N 624.352 6.919 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)cc1 1084333017 XZYZSZKTWIBQFN-AREMUKBSSA-N 569.496 6.098 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)c(I)c1 1084491006 KRRLFPNJRYWRLM-AREMUKBSSA-N 564.423 5.987 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cccc(Cl)c1 1084501944 XDTODVOASBYHCJ-UHFFFAOYSA-N 500.805 6.170 50 10 KKGE Cc1ccc2nc(/C(C#N)=C\c3cc(Br)cc(Br)c3OCc3ccccc3F)[nH]c2c1 1084514799 UYIXMZZJYDBCRL-MFOYZWKCSA-N 541.218 7.179 50 10 KKGE CCCCC(C)=NNC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 1084580609 OTNVXRJQKUBRMB-UHFFFAOYSA-N 586.552 6.458 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1084630297 XLWZDJLETPOSNF-UHFFFAOYSA-N 580.556 8.194 50 10 KKGE CO[C@@H]1C=C2[C@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H](COC(C)=O)O1 1307209394 PHRYVLYQRZHPOL-OTDCJKRWSA-N 762.972 6.765 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 1614653257 YYCUWXRBZPABBE-YPXGIFEZSA-N 509.675 6.422 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772743451 AYLARYNOKYVFPX-UHFFFAOYSA-N 526.387 5.090 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748577 ZJLSWQWXZHWIBD-UHFFFAOYSA-N 571.475 6.059 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772754395 UFZFAKSHKHEVJE-UHFFFAOYSA-N 515.437 6.408 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865686930 FJOGIVZZLSEFJR-DEOSSOPVSA-N 532.522 5.756 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689599 UCVOBRAVMBOTJP-HXUWFJFHSA-N 536.913 5.758 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690259 MXXSDDBATUFGGO-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865690884 DGMLNLZKAQIRKG-HSZRJFAPSA-N 513.425 6.147 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865691111 JLLBVCBLTKENHO-LJQANCHMSA-N 571.438 6.506 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692820 JCIJEVZYMIQNCG-HKBQPEDESA-N 554.650 6.962 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694498 YOTJJIPLMUXDLQ-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694816 CLSFDXPGOABPIC-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865697708 ZWDRNELKQPWCSA-AREMUKBSSA-N 527.024 6.598 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Br)c1OC(C)C 1865698026 IGUGVAMGJACFNI-HSZRJFAPSA-N 558.436 5.711 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701077 LBQHLIMRJWUTPM-MHZLTWQESA-N 561.469 6.937 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cc(Br)ccc1F 1865702017 KSNUNJQGDNSBPV-QFIPXVFZSA-N 519.349 5.857 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711414 XXNXWRFKZMYOBV-NRFANRHFSA-N 527.333 7.083 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714096 CJTBOKNDZDPRGH-JOCHJYFZSA-N 550.358 5.687 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975970 VYNKCGFUNKTPCY-JWQCQUIFSA-N 554.485 6.267 50 10 KKGE CC[C@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867195954 JFZCRWLNYATGLX-IBGZPJMESA-N 513.417 5.062 50 10 KKGE CC(C)(C)c1ccc2c(c1)C(=O)CCN2c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207160 IGNBZLOTMWQYCE-UHFFFAOYSA-N 519.674 7.406 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccccc3)Cc3ccccc32)n1 1868301811 YYLKDXDNFHGOLZ-AREMUKBSSA-N 525.681 8.247 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4ccc(Cl)cc4)CC3)n2)cc1 1868320886 QJLMOWTWGWKQPC-UHFFFAOYSA-N 528.081 7.470 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@@H](Cc4ccccc4)COCC3(C)C)n2)cc1 1868545513 YNUFIOXXQRMHJR-NDEPHWFRSA-N 563.771 7.984 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1OC 1872745512 QOLQNMLMQOUAPN-DAFNUICNSA-N 515.591 5.706 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1OC 1872756123 DHXHHSFVABUIGN-DKIZWKKFSA-N 503.624 5.328 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873794674 UQHMWBRUYDMGLS-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922896302 DGUBBWLEYPZFPO-NSHDSACASA-N 517.906 7.137 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065956 JSNUGVMNQMGAIF-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1924601236 KAXUMFNWNWCYHB-PRFIWBCESA-N 505.541 7.922 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NOCc5ccccc5)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 1933278138 XRQFDNAFXOTNGP-MMHASDCYSA-N 670.172 10.184 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1(Br)CCC1 1960900942 UQQPBJOTPWJZMS-ZCFIWIBFSA-N 502.291 6.633 50 10 KKGE IC[C@@H]1CCC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989165794 CHAGOXOYRACYRT-ZEQRLZLVSA-N 514.403 6.890 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(Cl)cc1 2053623297 QANVFLJWGXDEQF-UHFFFAOYSA-N 605.772 5.692 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cscc2OCc2ccccc2)c1Br 2081058175 JFKZUXUODWSIJT-HXUWFJFHSA-N 545.134 7.953 50 10 KKGE Fc1cscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494581 MLUNKYLSXIJBCS-SECBINFHSA-N 586.738 7.422 50 10 KKGE C[C@@H]1COC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495678 RVUCIMHJVMAFNB-IJESPZCISA-N 526.288 6.299 50 10 KKGE CC(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497936 JQKWNOGZWUAKPV-MVKOHCKWSA-N 568.767 7.465 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(I)c1 2097833109 ADFWIOAQRFKYEJ-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141468747 NFBWZYDKZPDWLU-CSMHCCOUSA-N 584.766 7.130 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141470148 YSACSSRYGNYYNQ-SECBINFHSA-N 661.671 8.353 50 10 KKGE CCOc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1Cl 2150344770 SAAPOBSXFASVBM-LLVKDONJSA-N 523.899 7.463 50 10 KKGE COc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc1Br 2203683970 FXGDETODKMOTRZ-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1C(F)(F)F 2206396345 VXTGBAQMPXMHDN-CYUDJLOBSA-N 564.259 7.605 50 10 KKGE Clc1cc(Br)c(OC[C@@H]2CC2(Br)Br)c(CBr)c1 2213082497 HPHFBXLSFKWNEP-ZETCQYMHSA-N 512.261 5.882 50 10 KKGE Cc1cc([C@H](Br)c2c(C)sc(Br)c2C)ccc1I 2218806982 ZWSINDIUYIVNAN-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2)c(C)c1Br 2220159949 ZKQWZLCJNMRREA-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2234055983 FMTMGPXFGDSZSY-GDBMZVCRSA-N 511.689 6.526 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Cl)c(C)c1Br 2235604070 MLMYHHKRAWHTOK-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Clc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2256130560 WRSAHCROOMBVAF-LBPRGKRZSA-N 518.268 7.112 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCC23CCC3)c1Br 2266134577 XDGMDBZXSXQNJI-HQJQHLMTSA-N 580.778 7.753 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(Cl)c3)o2)cc1 2293972424 QYCMNIQCDOPXSJ-UHFFFAOYSA-N 512.997 5.587 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506948 MPUBUNPYPNHLHK-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2)n1 2297592694 YAYWCNDLSKUZLS-UHFFFAOYSA-N 567.494 5.757 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1sc(Cl)cc1I 2300997530 IUBNYSRKTVWKHT-SNVBAGLBSA-N 557.391 6.234 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567409 JVYOJZLCCPGVLC-UHFFFAOYSA-N 552.472 6.437 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1 2313570718 DTLYZOUPLWYFGB-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314448856 KZQIGIPVKMEQDE-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592001 JHXCNISLSCOQJX-DEOSSOPVSA-N 537.563 6.087 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314618244 KCZRDQUBWKLNKP-UPVQGACJSA-N 554.650 6.525 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618317 LGSGSCUFFOOHLQ-FQEVSTJZSA-N 561.465 7.325 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 2314620733 TZAKMWBAHUTMJU-UHFFFAOYSA-N 578.619 6.789 50 10 KKGE CCN(C[C@](C)(CBr)OCc1ccc(Cl)cc1I)C(=O)OC(C)(C)C 2317811595 VGRTZGJDSAJKEG-SFHVURJKSA-N 546.671 5.872 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1OC 2331412634 QXGJEZWSLZEERJ-SJLPKXTDSA-N 505.596 5.238 50 10 KKGE Clc1ccc(CBr)c(OCc2cc(I)ccc2Br)c1 2341779199 HYOBAOWWGYVXJU-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE FC1(F)CC[C@]2(C1)[C@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364105389 DVIYDGPTYFRWAN-UPJWGTAASA-N 521.965 5.774 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cccc(I)c2)c1Br 2365183641 KNIHKMILEFMABX-CYBMUJFWSA-N 574.876 6.618 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Br 2369431682 UUSSTILHILTEEA-HNNXBMFYSA-N 509.160 5.568 50 10 KKGE CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2cccc(OC)c2)cc1 8386010 PVQQFULOOXHYJK-WEMUVCOSSA-N 518.654 6.543 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1OCC 54624775 NRPFFTSPONMNLI-HAVVHWLPSA-N 508.615 5.244 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)c2C)sc2c1CCCC2 58888406 RQWXHUORBQWZBQ-DXPRGPITSA-N 507.656 5.175 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 58893775 TWQYZNMCMTUKPE-OXOGFPMKSA-N 525.443 5.699 50 10 KKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1ccccc1 58990419 BLZROQARTCSNHE-TWKHWXDSSA-N 511.651 5.071 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC 72399999 FSIDKIWIEOGHHZ-KZCYAKLDSA-N 639.446 12.755 50 10 KKGE in-vitro COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 97993360 VZBBAPPRIXJHMV-RHTHQAGFSA-N 511.603 5.951 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCCCC)c(OC)c2)c(OC)c1 98027962 MLIBOGADWLKNTO-QDGJKXNTSA-N 504.583 5.101 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100186689 PWKFBCCCEQICIQ-UHFFFAOYSA-N 611.562 5.918 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100194299 JVOYIEDWHWCKFM-UHFFFAOYSA-N 556.482 5.012 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 100233590 CPSIFZAXSAJHQW-BZCOGROQSA-N 591.502 6.553 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100235561 KNSFWYLSPNEHFK-HODYDLGBSA-N 596.478 6.027 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 101135210 GPXCVVKLCHFBDX-UHFFFAOYSA-N 527.968 5.729 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101338185 HKPMSHSSDOFPGF-ZOCNZVAZSA-N 554.650 6.006 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101372267 FJNSMCBCPBLZLX-LJAQVGFWSA-N 611.522 7.797 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381346 NTKHXKIIGKKMMK-AUSOSSAASA-N 629.540 8.287 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101383068 OTTHOERJPBHJEY-SSEXGKCCSA-N 557.433 6.939 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384107 OWYBLZVNLGEODK-HKBQPEDESA-N 536.559 5.916 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384424 NDVTUTKESRIENG-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388160 YOHOKFSMRJREGE-SSEXGKCCSA-N 621.904 8.062 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101389062 QWCXIYBOYGNIFK-XIFFEERXSA-N 615.057 6.968 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389492 BMICWVJJHBWDDH-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)cc1Cl 101394226 UQTAVQURQYHHNF-NDEPHWFRSA-N 597.495 7.407 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)c(C)c2cc1Cl 101394368 OSYQWHYKCUZFEO-HSZRJFAPSA-N 539.802 7.447 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612121 NFZFTLLTAMDDDC-TWKHWXDSSA-N 526.420 5.723 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 101673893 YNACPPZKBKEKDE-MUPYBJATSA-N 546.620 6.036 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 101710504 MUMIUAIOBLNXMM-MEFGMAGPSA-N 588.505 8.518 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2ccccc12 102006937 AWXZFJMTAHJYJQ-IURWMYGYSA-N 569.901 7.498 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@H](C)C2 102665431 WLIGUPMRTXETTH-XFNCEPBJSA-N 529.445 7.162 50 10 KKGE CCOc1ccccc1N/C(SCc1ccc(C)cc1C)=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 102738075 ZPKWKUKEQORDIG-QCKNELIISA-N 545.705 6.159 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1 103880132 AKHJEYAFDPDOLK-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 105055833 UGEOZYQLBWETIJ-MHDJOFBISA-N 583.855 7.218 50 10 KKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 105186508 ZDHLYPNMUXNLAO-VXLYETTFSA-N 546.248 6.567 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566576 PHJYNFYWRKBYNY-PLRJNAJWSA-N 572.422 5.802 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 201123383 KYRSLFQMFXXGLW-RQJKCUHCSA-N 875.089 8.820 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214248605 HLPAQTQZDSFJPU-YSMPRRRNSA-N 508.622 5.883 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214261130 UYHFCXXBDSLNNW-PMRZJRRASA-N 560.629 6.648 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 214323263 JFFQWEAHJISMSA-ORLXONFSSA-N 540.595 5.238 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214364693 WNIKIHZPYHRCGF-RGXNXFOYSA-N 586.667 7.182 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)cc1C 235839114 ZPIXBNVDGUMKPF-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE CC(=NNC(=O)COc1c(Br)cc(Br)cc1Br)c1ccc(Cl)cc1 252636327 XHFFTWMLTBHNKO-UHFFFAOYSA-N 539.449 5.547 50 10 KKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2ccc(OCc3cccc4ccccc34)cc2)[nH]n1 254901596 IUSDAYSJLVVOAZ-UHFFFAOYSA-N 512.569 6.432 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(I)cc2)[C@@H](CBr)C1 382689002 OVFYERZUCAQVIS-FUHWJXTLSA-N 500.174 5.038 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2F)[C@@H](CI)C1 382693170 QGJNAVDGLQYJTC-YOEHRIQHSA-N 518.164 5.375 50 10 KKGE C1=CC(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=C[CH-][CH-]1 575326492 KCTFVCOMJAMJSS-UHFFFAOYSA-N 622.688 9.713 50 10 KKGE C/C(=N/NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408862 HHOSMAZFOWRETB-MLFGINIBSA-N 806.967 8.290 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2N)(c2ccccc2)c2ccc(OC)cc2)cc1 616587651 YQKHBJHBEGXBKB-IPYRNTSGSA-N 787.006 7.720 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(C)c1NS(=O)(=O)c1cccs1)C(=O)O 675031802 OCGAUJFQXPTYQA-AUSPTEDFSA-N 551.646 5.016 50 10 KKGE Cc1cc(C)c([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 721589721 UKYBHDLVNKXFHI-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE COc1cccc2c1CCC[C@@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238774 XCVSJIRLESITSK-RDPSFJRHSA-N 537.003 6.282 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1083975717 PSJMUHBCDWQMBP-UHFFFAOYSA-N 531.248 5.070 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1OC 1083993912 ZVZJEJQCMHKLOF-UHFFFAOYSA-N 588.730 5.069 50 10 KKGE COc1c(Cl)cc(Cl)cc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084108661 VEABBUZZTGLKHC-UHFFFAOYSA-N 565.113 6.191 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084220172 GITPBGXKIGBVMU-UHFFFAOYSA-N 611.120 5.119 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084358238 VLFCESNSBJBDIJ-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084458414 PHXUCMRNRHGAJP-SFQUDFHCSA-N 502.195 6.881 50 10 KKGE C=CCN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718784 PEADOGOBISYCDP-HRVMJLIHSA-N 536.868 6.162 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689563 SOPAPXIJKPTGPA-XMMPIXPASA-N 527.452 6.214 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865691026 HGJKDJVDWCJFDR-RUZDIDTESA-N 510.981 5.984 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865691706 ZFJBYAPDXSAUKK-HHHXNRCGSA-N 500.643 5.988 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695621 QVLUCAHKGZRTAO-SANMLTNESA-N 565.888 7.582 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865696405 GEQUYPDXYNBAFE-OAQYLSRUSA-N 527.394 5.021 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696452 NIDFULZLKPSQEO-HSZRJFAPSA-N 545.393 5.243 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700936 HZESPIKFOXTPMC-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701171 OFNSKOSORKUPKC-LJQANCHMSA-N 544.247 5.582 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H](c2ccc(F)cc2)O1 1868434221 YJHWNZRSUPKFOG-AVRWGWEMSA-N 532.044 7.219 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H]1c1ccc(F)cc1 1868456096 JXVJGTYYHCNNJE-RUZDIDTESA-N 514.605 6.232 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)n2)c1 1868506588 ZQMKVBHGQLVUOY-HHHXNRCGSA-N 538.652 6.027 50 10 KKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872746671 RYMBYKURGMVNMK-HWCXCKHPSA-N 508.397 5.686 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1OC 1872759512 QXGJEZWSLZEERJ-UQMLDSLRSA-N 505.596 5.238 50 10 KKGE COc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)/C(C#N)=C/c2ccccc2)cc1 1873686208 GLJLDWCPONVZKL-JJIBRWJFSA-N 501.590 6.251 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1923067137 YWPFWCZDTLEWJB-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE COc1ccc(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071173 HFZFKSHKMSRDIO-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C12CC3CC(CC(C3)C1)C2 1924600309 PTTSIKPXWPGACG-HLJMMJMFSA-N 503.525 7.532 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925586330 XWUKVHPJSZJIEJ-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE C[C@@H]1COc2ccc([C@H](Br)c3ccc(I)c(Br)c3)cc21 1925679288 KZKWKRVPOUQJQO-ABKXIKBNSA-N 507.991 6.034 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(I)c(Cl)c1 1950208334 QDGGCMKDRKPFDM-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(I)sn1 1983286089 MCXOVWCRABRHFR-YFKPBYRVSA-N 533.863 6.316 50 10 KKGE Clc1sc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2004902421 LOJCLVAWLCVCDS-RXMQYKEDSA-N 564.771 7.888 50 10 KKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CCO1 2011643458 DKYDXPXAQYDXBT-GKROBHDKSA-N 511.899 6.287 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2052571697 HAYVDHBKYABBBI-BJIDHACZSA-N 645.174 11.764 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(I)sn2)c1Br 2081063458 ZTPUSPUFBQKUEE-LBPRGKRZSA-N 521.443 6.218 50 10 KKGE Cc1coc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2085492240 IMIVUHOMLBDQAM-GFCCVEGCSA-N 522.256 6.966 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1scc(Br)c1Br 2089724344 BLURYNNUBDYWOR-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3csc(Br)c3Br)c1)OCC2 2093941984 HPNQSJYRARTGPE-SNVBAGLBSA-N 531.889 6.455 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2(CC3CC3)CC2)c1Br 2141472938 JNCAQKWHFRVONS-ZDUSSCGKSA-N 580.778 7.753 50 10 KKGE CC(C)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141473263 NAWVXYWUHQVAQW-ZDUSSCGKSA-N 582.794 7.999 50 10 KKGE CC[C@@H]1OCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477506 RCOQNQISBQWJTN-QLFJKWQLSA-N 540.315 6.832 50 10 KKGE CCc1ccsc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477692 SSJFXTSKCAQRCJ-GFCCVEGCSA-N 552.351 7.689 50 10 KKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 2175009656 CEXHFTIIJYRLCP-OASPWFOLSA-N 676.896 5.600 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(I)ccc2F)c1Br 2201077195 HHXPDXYMBSKSHD-OAHLLOKOSA-N 576.867 7.056 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2206399649 KBSRHOBRYTZJCG-ZNWBZCOPSA-N 596.777 7.130 50 10 KKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270486 BPGBJJVYRVMYOY-JSGCOSHPSA-N 515.027 5.222 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 2224052095 KEBQSQOZVFNPSU-LLVKDONJSA-N 564.906 6.979 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1I 2224621238 ADTLLOIXKTWXEM-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE Cc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)ccc1I 2229150598 CRBRLXBMQXDSST-ZDUSSCGKSA-N 514.426 6.694 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)cccc2Br)c(C)c1Br 2235602956 FXCXRRZVAACKIF-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE COc1ccc(CBr)c(Oc2c(I)cc(Cl)cc2I)n1 2239836545 WGBWLEGLQHGYLV-UHFFFAOYSA-N 580.385 5.640 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)c(C)c1F 2264463169 LXPAANMIRAMFAM-LLVKDONJSA-N 535.896 7.276 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2c(F)cc(Br)cc2F)C1 2271580943 PQAVMQUIVBZIJI-GOSISDBHSA-N 546.190 5.449 50 10 KKGE Cc1c(CBr)cccc1NC(=O)c1ccc(I)c(Br)c1 2283559489 GWEKISXAUQBSIJ-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@@H]1Cl)c1ccc(Cl)cc1 2293308249 TZAHICNSZWGOQL-PMACEKPBSA-N 576.310 5.578 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2293716006 QAHPPBGSQZDFAO-UHFFFAOYSA-N 518.042 5.894 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C(C)=O)c1C 2297465907 DCWZMIYCTNYOPW-UHFFFAOYSA-N 519.692 7.584 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]6(CC[C@@H](C)CO6)[C@H](C)[C@H]54)[C@@H]3[C@H](Br)C(=O)[C@@]2(O)C1 2297643200 NZMXPNPAWOZZDY-QGVBGKQZSA-N 567.561 5.032 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518641 MYGOITHPPFVZGH-UHFFFAOYSA-N 593.248 6.409 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(I)cc1 2313556042 KBECNQBBSCFBLU-UHFFFAOYSA-N 717.345 6.621 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1 2313568609 VDTHCXALYWTEMS-UHFFFAOYSA-N 537.457 7.764 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 2313631319 NVTPNQNAZCBVAU-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE N#CC(=Cc1cn(CC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 2314433838 VCTTWCWHIUMCBO-UHFFFAOYSA-N 506.953 5.555 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314572114 SWLDERFBBJWXRD-UHFFFAOYSA-N 502.279 7.366 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314591650 AMVGILNEGHVQIS-RUZDIDTESA-N 536.484 6.984 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591808 FLIJXCCUVDGFRO-XMMPIXPASA-N 538.456 6.375 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593033 GISUCGCJVLMBEE-KBMIEXCESA-N 550.511 6.914 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617975 DXPDUOOSNRYDSZ-SANMLTNESA-N 522.605 5.099 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620753 UISIVYKMODURKW-UHFFFAOYSA-N 510.565 5.904 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1cccc(Br)c1 2314760158 INDMNSURUHXUIN-KRWDZBQOSA-N 539.382 5.037 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239830 GBIMUIHJNJOJDD-LJQANCHMSA-N 506.027 6.197 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c(Br)c1 2331294141 VEOXXIRMYMFMGC-UHFFFAOYSA-N 503.849 7.440 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 2331378595 FVLIQXFOEPFBMQ-RDJZCZTQSA-N 510.015 5.883 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(N(CC)Cc4ccccc4)cc3)n2)c(OCC)c1 2331473793 CVLLZAGYBQFQAL-UHFFFAOYSA-N 509.675 7.698 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)sc1Br 2335369790 VSZOCWRAHFSPSV-JTQLQIEISA-N 511.863 7.512 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336047473 MERYGJBSMFPXFS-HXUWFJFHSA-N 547.031 7.553 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2scc(Br)c2Br)c1Br 2337104193 MYPYKKREWNRUJX-VIFPVBQESA-N 621.183 8.075 50 10 KKGE BrCCCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2349830936 SBQVJMVDIHRBBH-UHFFFAOYSA-N 501.044 5.441 50 10 KKGE Cc1nn(C)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362226537 ZVQXOAMLCSSISF-SNVBAGLBSA-N 509.826 6.137 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 32520694 NRAAXWSXMPMHTB-RPPGKUMJSA-N 502.448 6.425 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)ccc1Cl 38649815 JKJVBNXIPDHWTQ-HHHXNRCGSA-N 502.998 6.149 50 10 KKGE CCOC(=O)c1sc(NC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c(C(=O)OCC)c1C 40847009 SHDOERQCQRNIEL-JFLMPSFJSA-N 509.584 5.145 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1 41013285 MIQRVTBBCFAYIP-XDJHFCHBSA-N 510.457 6.860 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 100335552 IZEJAWXJNBHROW-RQZCQDPDSA-N 542.773 6.144 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101334071 QUHQFQSAZAFHJG-KOWBDXASSA-N 500.986 5.592 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369405 JREJAYDZIYJNDV-YTTGMZPUSA-N 546.623 6.979 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OCC 101374608 NNNGAWBNALCUNP-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101375065 VFKMQALHJLUEOL-PRAQEBQASA-N 560.622 6.240 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101376358 UNFCDTQCSOUPCQ-MHZLTWQESA-N 567.469 7.398 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101386323 AVSPSLREBYWULP-XIFFEERXSA-N 589.047 7.518 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 101386943 JZXDEEAGUAWFHP-HKBQPEDESA-N 536.559 5.780 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390129 SQCNDFGWMOGTQG-QHCPKHFHSA-N 583.924 8.596 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 101397223 WSYWMGAXRSZZSD-JGCGQSQUSA-N 564.682 8.145 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)c1 101697703 SOSFQEUMFJONPV-XDHOZWIPSA-N 528.777 6.378 50 10 KKGE CCOc1cc(/C=C(/C#N)c2n[nH]/c(=N\C(=O)c3ccccc3)s2)ccc1OCc1cccc2ccccc12 102518234 BERKAQFRBJHQNE-UQQQWYQISA-N 532.625 6.407 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 102679886 WDYRAZWNIWIXPM-VEILYXNESA-N 532.065 6.956 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl 102685530 DHKQCVMDUAVTFZ-UYRXBGFRSA-N 556.825 5.550 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103879130 NDUPMRZOPFVRPA-XODNFHPESA-N 553.210 6.172 50 10 KKGE COC(=O)[C@H](C(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544812 KXHPXNLLQGXVTB-BHBYDHKZSA-O 614.917 5.755 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1 150431111 XWJWWXSAIMRTFA-WGNDPNKDSA-N 684.312 5.837 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2cc1Cl 150483393 DNCVAEXSWDFOLN-WJOKGBTCSA-N 645.926 9.026 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 206399969 DPHUIHSKKCPCRJ-PLRJNAJWSA-N 526.633 5.981 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214290395 OFHSACBWQPCIFI-PKAZHMFMSA-N 538.648 5.511 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 234922039 IDGPDPHEDSKKQL-CQSZACIVSA-N 534.388 6.292 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(C)cc1Br 235863183 QFXNQQAPWBESFX-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1 252630466 VAEXQOWMCXJHRT-VGYZFXELSA-N 718.048 7.488 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1 254569051 IUWGRMOUNVYSSE-UHFFFAOYSA-N 511.529 5.204 50 10 KKGE CCCCCOc1ccc(C(CCCC(=NNC(N)=O)c2ccc(OCCCCC)cc2)=NNC(N)=O)cc1 254861726 FXHOYPAGZWHLPE-UHFFFAOYSA-N 538.693 5.440 50 10 KKGE CNc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)c2n1 616586753 RNYXUWAQJPNBRD-MEXJQVJTSA-N 914.130 9.548 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2ccccc2C)cc1 1083895056 IOUDCPSVAKMYLP-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 1083973868 OHBAZLHXGCTYDC-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 1083974996 USALTAYKZCHIMS-UHFFFAOYSA-N 565.095 5.492 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 1084006707 BJUHNRAGDFQIJJ-WJOKGBTCSA-N 543.639 6.175 50 10 KKGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084040797 CPEZYSVGLAUHQK-UHFFFAOYSA-N 611.507 5.357 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084143242 GDLQFIQPOJACEG-UHFFFAOYSA-N 589.039 6.112 50 10 KKGE CC(=NNC(=O)CCSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084200774 ZNIIKBIUPLULPK-RLPNJSHFSA-N 502.083 7.189 50 10 KKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 1084439240 NMQXBICQWHUGBM-LYBHJNIJSA-N 505.578 5.162 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1I 1084643276 IMMXSUJZVQVANP-UHFFFAOYSA-N 515.738 5.159 50 10 KKGE O=C(N/N=C(\c1cccc(F)c1)[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1614018673 ITHMJNJAKNONTC-NRZAFTNASA-N 584.957 7.075 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720224 JKKLIQMKWREWGT-UHFFFAOYSA-N 637.483 5.775 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748344 KSJQIASFRJDGAG-UHFFFAOYSA-N 546.454 7.136 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c(Br)c1 1772755405 FVDKOSZAPWVDBF-UHFFFAOYSA-N 525.443 5.908 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OCC 1865689190 MHCDTJNACSLWBR-HHHXNRCGSA-N 557.050 6.276 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OCC 1865690914 DYHQGPXSWTXXGO-MUUNZHRXSA-N 554.622 6.152 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865691015 HBTNDDSNEIIJDU-MHZLTWQESA-N 506.606 6.253 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865695622 QWWCVBZRLPKTNZ-IBGZPJMESA-N 522.886 5.368 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865701158 NSCSGTVZBXDXRC-DEOSSOPVSA-N 533.415 6.200 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705823 GROFKUAGWNEHIF-MRXNPFEDSA-N 510.259 5.383 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707364 VJOSVYYVHQTEHO-HHHXNRCGSA-N 564.086 5.342 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c(OC)c1 1865708077 NMLMJCAKUUXRQD-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)c2ccccc2)cc1 1866732187 ULTASXYHOYZHPP-CUBQBAPOSA-N 513.619 5.411 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987562 AALYAVRCAJJKHL-JWQCQUIFSA-N 508.018 5.912 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1868300337 CCQMAMQBXZHGGR-RUZDIDTESA-N 521.690 6.995 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868455758 BGQJTMSENBMXIS-XMMPIXPASA-N 518.017 6.831 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)cc2C1=O 1872754017 YPKKUXGYYNQEKF-FLFQWRMESA-N 503.580 5.018 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1Cl 1872793890 ZJFJFFZJZCAJOC-YBFXNURJSA-N 523.441 7.777 50 10 KKGE FC(F)(F)c1cc([C@@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922889412 YKPVUGGDRJOCNX-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE CC(C)C(C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924584044 SJCZZSBLGCMJQB-SECBINFHSA-N 511.943 7.400 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593493 FKTBUVFRZPMMSY-SECBINFHSA-N 582.775 7.591 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)c(Br)s1 1939447571 VXFNCZDIJAEFCH-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CC1(C)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997140828 BFXLLLHBIFASHF-CAHLUQPWSA-N 511.899 6.287 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2sc(Br)cc2Br)n1 2010561511 KMZUSMNAOPQNBR-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1sc(Br)cc1Br 2026210880 DKWUHNUGOLZFOO-JTQLQIEISA-N 571.297 6.968 50 10 KKGE O=C(c1ccc(Br)cc1I)N(Cc1ccccc1)C1(CCl)CCC1 2026218582 ROTOOIGIOWLAKO-UHFFFAOYSA-N 518.620 5.858 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2052469698 YYGPOUVOBLNWHS-INWUUKILSA-N 629.175 12.649 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccc(F)cc1 2053590048 ORWVSBRRAISZQT-UHFFFAOYSA-N 607.763 6.125 50 10 KKGE CCCN[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H](Br)C1 2076187879 HHCSIBOIJAIFPW-BRDIYROLSA-N 524.942 6.250 50 10 KKGE CN([C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C(C)(C)C)[S@@](=O)C(C)(C)C 2080763709 OPZNKILVSCIGHA-JEXREGNNSA-N 597.805 8.358 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cnn(C)c2I)c1Br 2083319479 ZETDLNSBJKDJEH-LLVKDONJSA-N 548.842 5.342 50 10 KKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470995 MWEVLZNLGOMHAY-GFCCVEGCSA-N 617.220 8.197 50 10 KKGE CO[C@H]1C[C@@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471918 XSVJCTQSAYYVFX-PJKMHFRUSA-N 540.315 6.832 50 10 KKGE Clc1cc(Br)c(OCc2c(Br)cccc2Br)c(CBr)c1 2150490658 XPCLWJPWWQNTCT-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398921 AHBRTROWVFYOCH-AWEZNQCLSA-N 655.642 8.292 50 10 KKGE O=S1(=O)CCC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206399841 MCACINLSASPHCI-SNVBAGLBSA-N 618.805 5.997 50 10 KKGE Cc1ccccc1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206403347 GWKJLIXNGRNPNL-GFCCVEGCSA-N 546.322 7.568 50 10 KKGE CC1(C)CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162229 UCYOZGPZDRNJPI-TVQRCGJNSA-N 554.342 7.364 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)cc1C 2236006354 CWCUPIUDAWWNRN-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE O=C(c1c(F)cccc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2247969111 ZVYQHPKKEPJEQK-KRWDZBQOSA-N 502.165 5.246 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2255964036 OBGNDNWJVATBEO-MRVPVSSYSA-N 544.836 6.998 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(F)cccc1I 2282895893 CJVUZPAQQVYUJL-ZDUSSCGKSA-N 534.388 6.339 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296654281 FSSHPONWLIYYDE-UHFFFAOYSA-N 513.550 5.028 50 10 KKGE O=C(Nc1ccc(C(F)(F)F)cc1Cl)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2297498285 CFRFIHCJDGKPCW-UHFFFAOYSA-N 645.017 8.110 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1Br 2301083414 IMBRJUDFEKVBAX-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCOC(O)=C(C#N)[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313506107 YGRHOGUIPLPHJO-ZEQRLZLVSA-O 523.407 5.038 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1 2313518600 KUYAPRSQDQHCOF-UHFFFAOYSA-N 538.385 5.492 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521546 WCDLHYRIZUISQT-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1C 2313730317 OXGJTPZGCDPPHG-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593972 WQYMNKNMTVMENX-QHCPKHFHSA-N 507.999 5.074 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314610732 LORGSVFGRBKHHD-NRFANRHFSA-N 508.622 6.027 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314619928 HEZQAKORFGVTLO-UHFFFAOYSA-N 552.993 6.133 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646758 MRFSKLUHCNKHJS-NDEPHWFRSA-N 618.715 5.245 50 10 KKGE CC(C)c1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 2314751126 RMCIVRZMRRHHBI-UHFFFAOYSA-N 506.558 5.401 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)nc(O)c2cc1OC 2331044414 FCBGHAQTFBDXDL-UHFFFAOYSA-N 551.606 6.936 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 2331311568 XNJHEUKHDCIDIL-UHFFFAOYSA-N 514.390 5.699 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331331033 QQBBNFDNYIZFPA-HXUWFJFHSA-N 501.608 5.552 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331891 GSKDIOXRPKYXOM-GOSISDBHSA-N 501.608 5.740 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1 2331339472 JACWTGXXDQVVAA-AWEZNQCLSA-N 511.828 7.639 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 2331376980 SASWPVHGXTYJAD-UHFFFAOYSA-N 509.971 5.350 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 2331385515 KZPSFFQOGOADSD-IBGZPJMESA-N 503.624 6.016 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)c(C)s1 2339659400 RNHJHUUMDQMTEN-NSHDSACASA-N 535.896 7.276 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ncc(I)cn1 2353069953 CEJUTBBOIDEITH-UHFFFAOYSA-N 562.825 5.080 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c(F)c1F 2361193619 AYAOQWPRCFBNJD-QGZVFWFLSA-N 504.115 7.069 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365186560 ROJWVWAHPOYYTF-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2csc(Br)c2Br)c1Br 2365225977 PEJQBFSYYAKXCN-LLVKDONJSA-N 568.350 7.443 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650805 TUTQPZPNYUXOIH-UHFFFAOYSA-N 505.453 5.908 50 10 KKGE CCc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 20192683 WGPHTZBHUXETIM-LQKURTRISA-N 503.400 5.393 50 10 KKGE C=CCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)c(OC)c1 20228591 CPRMMWHGEDIGEV-LQKURTRISA-N 509.400 5.294 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659828 GKAKLRYUUCWHIS-MHZLTWQESA-N 500.551 5.320 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)Cc3ccccc3)CCC4)ccc21 40815697 AXZGSYRSGIYOST-YQCHCMBFSA-N 518.617 6.367 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 58889001 RDOREYALICYCHG-CHVMBPBASA-N 501.808 5.645 50 10 KKGE CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C(=O)C(Cl)Cl 98017487 MTEIZZDXEJPRJR-UHFFFAOYSA-N 543.322 6.334 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccc(Cl)c1Cl 100061936 VPSNBCDPADNELO-PGGKNCGUSA-N 531.031 6.201 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 100185665 NAAUOUFSGUQUNW-UHFFFAOYSA-N 538.870 5.550 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 100234184 VXLAVOXWBHVZGD-YLICKCRASA-N 572.687 6.516 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101293519 BLTGVSQLPKYWEM-WJOKGBTCSA-N 599.470 7.575 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338004 GEYJNZXEBREPMD-ZTKZIYFRSA-N 528.612 5.773 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1C 101379272 YCZMRCXVVWPBSM-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388148 HRBPUYZOOIBHOK-LPYOBDFFSA-N 579.052 7.155 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389843 PPIXJNJCBSHXOY-SSEXGKCCSA-N 605.449 7.548 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101393215 SMQRAMGBVPETIU-GDLZYMKVSA-N 573.045 7.410 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101397344 DYHBQCCILJRKLM-GDLZYMKVSA-N 557.046 7.709 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101398073 ODJUNVHDIKIKRH-PMERELPUSA-N 542.547 5.809 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6ccccc6c5Cl)ccc43)c2)cc1 101398175 VTHCZYJVSVVVCL-LJAQVGFWSA-N 579.077 7.880 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614925 CRSNIDQHBYOCIV-QFDQHJFZSA-N 548.242 6.137 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 101853713 VCIIBHMCLVVJIY-BOPFTXTBSA-N 520.916 5.981 50 10 KKGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c3cnn(-c4ccccc4)c3n2)cc1 103147294 ZQGLRCBVVNIPOS-LJAQVGFWSA-N 551.094 5.734 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 103742303 GEKYBYVAGJLQCZ-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1 103789682 BOPCWUNEZWNAMJ-JJIBRWJFSA-N 593.465 5.525 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@H]1CP(c1ccccc1)c1ccccc1 110184085 UJOCELPDGJCWDG-QVWWMRLHSA-N 565.719 8.645 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 128786547 PJSYVNURWVYULE-CQSZACIVSA-N 532.295 7.420 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481970 BQJPJAJDPSOZMV-PGUFJCEWSA-N 673.593 8.977 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 163300736 CXUXPJSMOMVNLP-NVMPUMLXSA-N 656.762 6.209 50 10 KKGE CC(C)[C@@H](CBr)COc1c(I)cc(I)cc1I 166209069 ODRURKFDZPTNSV-QMMMGPOBSA-N 634.859 5.546 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205660747 GRPBHYGAEPDBCG-YFSRTRINSA-N 536.672 7.390 50 10 KKGE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 211918145 HYSBXERJSDBPQM-RCCKNPSSSA-N 595.212 6.397 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c1 214261733 MROJRZYNDLZIKE-CCPXZDFDSA-N 508.622 6.109 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 214316377 KEMHFPGXGUYIQP-QQXSKIMKSA-N 550.590 6.243 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214334206 YYRXBMNGDJXMLI-NWUVQHAMSA-N 542.595 5.664 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(C)c1I 234805967 KWVJIEJIEJDNKU-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)c(F)c1 236152876 XYHAQWWLQVNDNS-GFCCVEGCSA-N 501.934 6.011 50 10 KKGE COc1ccc(-c2nc(Nc3ccccc3)sc2CCC(=O)NN=Cc2ccc(Br)cc2)cc1 252620310 MBOLNXNVHDLBHZ-UHFFFAOYSA-N 535.467 6.408 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl 254312547 NFIMAUDEDCNBIN-UHFFFAOYSA-N 582.509 6.226 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019296 RZGJSQALJYBLKL-GHBVHVRQSA-N 622.398 5.881 50 10 KKGE Cc1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c([N+](=O)[O-])cc1C 256019791 DXSVGKCSFQDDCM-JEBQAFNWSA-N 553.089 5.836 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@@H]1[C@@H](O)[C@@H]2O 575626898 ACJHNDYFTFXEOF-BNENQEJVSA-N 984.181 5.736 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCCCC 605695304 RMBOEEVDXVEBFI-QEJMHMKOSA-N 613.408 12.199 50 10 KKGE COC(=O)[C@]1(COCc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654253 NVRSKODTJANKRR-UFHPHHKVSA-N 513.707 5.548 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1sncc1Br 719821353 WWFOYXBJRRBAMN-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE O=C(NC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)OCc1ccccc1 725238005 BOPDCEAXHZNRMJ-RUZDIDTESA-N 594.055 5.997 50 10 KKGE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085437 AVEUCVNGXYJNAM-SMQOBQFBSA-N 673.041 6.524 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084003319 ZNUUAVRJILQZDM-UHFFFAOYSA-N 568.254 7.998 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(Cl)cc2C)cc1 1084132620 ICMFWXUOQCJXJQ-UHFFFAOYSA-N 627.992 6.472 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084244721 XFANHWIEXRQYCR-UHFFFAOYSA-N 609.546 5.519 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1OC 1084378627 ZEEXSPATLKUSIH-UHFFFAOYSA-N 550.464 5.131 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 1084379226 QTPHDYKXKWEGCJ-UHFFFAOYSA-N 567.649 7.436 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084430743 TWBRUQTVNXSUJG-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2ccccc2c1 1084624556 ZWLYXKBSIJYUTN-LPYMAVHISA-N 551.857 8.323 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084648331 BKCNUMMPCAUISL-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2ccccc12 1772760459 OCWZBSFUVKMAMV-UHFFFAOYSA-N 586.953 8.231 50 10 KKGE CO[C@@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)/C(C)=C/C=O 1848432824 SQLZDXFTEMMIKN-GHIATXQZSA-N 946.185 5.009 50 10 KKGE CCCCCC/C=C\CCCCC[C@@H](CC(=O)O[C@@H](CC(=O)OC(c1ccccc1)c1ccccc1)CN(C)C)O[Si](C)(C)C(C)(C)C 1848434861 OWWXMQBBDRZOAG-HLUIMOSCSA-N 680.059 10.440 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865689204 MOQLWFIONUDFIC-GDLZYMKVSA-N 524.596 5.883 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865691801 BHJGHNWEFHXEGF-QFIPXVFZSA-N 543.849 6.002 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865693275 UABWNWNUUATOEF-HSZRJFAPSA-N 571.903 6.646 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865693813 ZJIHQRVCBXZJIE-JOCHJYFZSA-N 529.424 5.435 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865703346 UMFCSUOGSGUCMW-PMERELPUSA-N 542.614 6.843 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703756 FCFQEKILAKVERU-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706691 CMUMWBSFWYDKLA-NDEPHWFRSA-N 542.058 6.531 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711564 BOHUWKQLUZEHGN-DEOSSOPVSA-N 541.951 5.149 50 10 KKGE CN1CCN(CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)c2ccccc2Cl)CC1 1868364616 AXVINCQXAPRTRB-UHFFFAOYSA-N 556.139 6.499 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)c1 1868413839 CZHIFWXDBPHVGF-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE CC(C)c1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)CC2 1868564850 FRRNUBGYTZXWQQ-MGBGTMOVSA-N 554.723 8.131 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 1873921107 VNKBTDXPFNMFET-GKYQZKGUSA-N 521.620 5.038 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 1922888399 QEUHBEPEYKFLEV-JTQLQIEISA-N 582.775 7.591 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1sc(Br)cc1Br 1922896369 DTMUGMDEBJUCGC-MRVPVSSYSA-N 521.869 6.853 50 10 KKGE COc1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924571192 PTKIATDVWKYILK-ZCFIWIBFSA-N 525.907 6.590 50 10 KKGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)Nc3cccc(Cl)c3)=C2N2CCOCC2)cc1 2053611414 LRHBPBBXXRDFST-UHFFFAOYSA-N 508.066 5.757 50 10 KKGE Cc1cccc([C@H](Cl)c2ccc(Br)c(C)c2Br)c1I 2138862393 JSEXVGYBPRFBQE-CQSZACIVSA-N 514.426 6.761 50 10 KKGE Cn1ncc(Cl)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468813 NXHGDIMTPREAFB-SNVBAGLBSA-N 556.705 6.452 50 10 KKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470996 MWEVLZNLGOMHAY-LBPRGKRZSA-N 617.220 8.197 50 10 KKGE CC1(C)CCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471539 SNPIJBCYOPXCPO-WRWORJQWSA-N 582.794 7.999 50 10 KKGE Brc1cc([C@@H](Br)c2csc(Br)c2Br)cc2c1OCCC2 2150345510 OHTOAPBMTZWWTA-LLVKDONJSA-N 545.916 6.845 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Cl)c(Br)c1 2166832002 ZNTKHIZVURHPFB-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE COc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1F 2168407557 XEFLMHBIDKOQGS-CYBMUJFWSA-N 513.970 5.880 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2169661501 JCTYFYXMRPPAQC-JTQLQIEISA-N 528.801 7.528 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 2201080579 ZGOBYLDIGUBPBY-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)Cc1ccccc1I 2203837038 VGHOTBYYRQOJPG-CYBMUJFWSA-N 510.007 6.049 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCCCC2 2206394061 DABIFXBVAAGVSJ-RTHLEPHNSA-N 550.354 7.987 50 10 KKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397524 KAYVFQPRWLUERG-NSHDSACASA-N 606.763 8.244 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401806 ZLPCUVKQQWSLAT-NSHDSACASA-N 659.605 8.123 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cccc(I)c1 2221697426 MDCMPADCZFTSLV-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)cc1I 2256339245 QCACNDYRYXHUMQ-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(Br)c1Cl 2268261160 FLQOZAIJPJZTEM-QMMMGPOBSA-N 554.323 7.182 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277949066 OIEQOLCPEDYFJQ-GFCCVEGCSA-N 532.295 7.306 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 2294172037 WAMBUJHZQNBZOI-UHFFFAOYSA-N 505.416 5.239 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)Cc1ccccc1I 2295266263 ZINNXMKRXXOCPK-GFCCVEGCSA-N 530.425 6.394 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(c3cccc(C)c3)C(=O)C(C#N)=C2C)cc1C 2295848681 BJSQUUDFZKDYJQ-UHFFFAOYSA-N 540.623 6.518 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OCC 2297551619 UUUODDDILSSKIQ-UHFFFAOYSA-N 539.180 5.463 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299505702 YYXKTUJSBWZLAQ-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 2313561191 YQLKRQCMEURALQ-UHFFFAOYSA-N 506.356 6.099 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 2314476045 HUGXOLVCNRYSIT-UHFFFAOYSA-N 595.725 5.904 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314489955 WLFSARMPYKOMJZ-UHFFFAOYSA-N 504.333 6.300 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314610758 LXCRPROINNHJIO-UHFFFAOYSA-N 510.663 6.432 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314611470 UWGIXYVVOMKMAC-VWLOTQADSA-N 592.699 7.662 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)C(C)=C(C#N)C2=O)cc1 2314616900 MLHKEAIOLMVHDW-UHFFFAOYSA-N 544.611 5.657 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314618264 KHLOUVMCEVYXGU-NRFANRHFSA-N 541.611 5.359 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cnsc2Br)c1Br 2315617701 UMHQLWGSZDOLHG-SSDOTTSWSA-N 543.275 6.707 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2318462452 JGPLRYIOAAUGLK-UHFFFAOYSA-N 501.974 5.001 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328821223 IIDHMXBKQQNPLK-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 2328827852 ZTTYZCGBBZNMEJ-DEOSSOPVSA-N 508.018 5.505 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331444219 ZFYDBVNLGKFBRS-UHFFFAOYSA-N 521.469 8.467 50 10 KKGE Fc1cc(Br)cc(Oc2cc(Br)cc(I)c2)c1CBr 2338884289 CMCGAMAECSOECX-UHFFFAOYSA-N 564.812 6.643 50 10 KKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364105390 DVIYDGPTYFRWAN-XQQFMLRXSA-N 521.965 5.774 50 10 KKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(I)c1 2364106832 NBUOFMGUSLHTBV-OFQRWUPVSA-N 514.039 6.165 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2365186582 RTZGUKWKSZHJDH-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2365594614 AHHATJUNCGJTLP-NSHDSACASA-N 545.256 7.996 50 10 KKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1cc(Br)sc1Br 2366216357 IHEBIYCEXZCBJA-VIFPVBQESA-N 502.091 5.933 50 10 KKGE CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)NNC(=O)Cc3ccccc3)n2)cc1 850368 TVZPAFKKDUITEY-UHFFFAOYSA-N 522.630 5.168 50 10 KKGE CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981811 NAWWBJPINSMOTL-FQEVSTJZSA-N 504.508 7.026 50 10 KKGE CC(=O)Nc1sc(/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1ccc(C)cc1 34983047 MXVKHYULLBZKTQ-CPNJWEJPSA-N 504.593 5.049 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38658643 XLFNUYGPFZRLFO-WRHNGFHOSA-N 514.578 5.418 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38685070 OSWXYQSFHUAZFI-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 40870001 YJENEVKHQPNJLH-PFFUAXQRSA-N 526.589 5.335 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 58889468 GSBVQILPXAHEAY-IPYFEQEDSA-N 502.354 5.445 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1O 59680454 KQVSZHZUHBJWKL-LQKURTRISA-N 504.384 5.693 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)c3ccc(OCCCCCC)cc3)CC2)cc1 100139828 FRRJIMGAQBHASX-UHFFFAOYSA-N 608.780 5.633 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 100231961 ZYZGEGSPGOIJAE-SLLOZXFSSA-N 529.406 5.530 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 100452502 DAPVWCUKYOTROR-OADPBGPJSA-N 545.817 5.344 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@H]1CCCO1 100883432 WSQZTPDEAWEBJA-TUPCFRFDSA-N 539.035 5.974 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101336022 IQPMUTGEWCPQPU-TWKHWXDSSA-N 607.110 6.791 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101340712 BMJOSOKRFVUNAE-MFKUBSTISA-N 539.422 6.639 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101375019 VZLZQZBIBFSICT-NDEPHWFRSA-N 543.576 5.856 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101375025 MULIGQBUSOGYMR-SSEXGKCCSA-N 573.602 5.621 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 101376454 GRYWYFQRDHIFFA-XIFFEERXSA-N 544.651 7.211 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379043 NWLXJYTVUIWQKW-HKBQPEDESA-N 553.014 6.430 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1C 101382965 CTMIIFSGFNJVFX-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 101393479 RMKCLPHXTOGWPL-RUZDIDTESA-N 585.440 6.245 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101395333 DYKHNPRAUNHWRX-HHHXNRCGSA-N 609.531 8.223 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101397905 YOCJDKTWCAUZSN-SSEXGKCCSA-N 619.476 7.938 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccccc12 101398796 XCCIZLDTNPMLES-PMERELPUSA-N 546.554 6.897 50 10 KKGE C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1 102941376 YDARTFKXMBTQFM-OGZJEZBQSA-N 624.539 5.717 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1 103796098 LUOMYDFRDHOWMG-CCVNUDIWSA-N 572.253 6.699 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105060468 ABZZKFVZDRXVDQ-KPGMTVGESA-N 598.280 7.318 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1 150433597 RIZFVKQPLUWYHI-YTTGMZPUSA-N 631.512 7.807 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 150442036 RCKBIATVNOTQED-WAJJMWJGSA-N 770.792 5.337 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 150462674 JOWPRDSPMKLVNS-SBCAZUFSSA-N 632.742 5.553 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150463539 UXCAZNZWUZYLGR-MOILCHMESA-N 633.915 8.071 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 170069506 ZGOBOELGRBUBPZ-XQKNLLDYSA-N 584.789 6.223 50 10 KKGE Cc1ccccc1N=C1NC(=S)N(c2ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)cc2)C12CCC(C(C)(C)C)CC2 252589346 AJFREABXGPGQBX-UHFFFAOYSA-N 620.650 8.466 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cc(-c2cccc(Br)c2)nc2ccccc12 252635212 WVIYWZSXPGUHQM-UHFFFAOYSA-N 522.402 7.221 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253564812 GYIYSAKNFNOZPZ-JWVZJPBISA-N 622.798 7.752 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 254567048 RXMWILVVLVKUOB-CDCYEICDSA-N 506.687 7.465 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)cc2Br)[C@@H](CI)C1 382714633 JHBLBAXRNLEOCI-YOEHRIQHSA-N 518.164 5.375 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404959418 USAJFNHKDJHZDI-SNVBAGLBSA-N 500.805 7.886 50 10 KKGE C/C(=N/NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)C(C)C)C(=O)NCc1ccc(C)cc1 575408891 QZJMDLVMTUQKFX-FYYBWQLVSA-N 554.691 5.303 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585680 FAGFLKDXAVYVFV-JAADNGAQSA-N 672.973 7.366 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642771711 BCBYTQUYYFYXNM-OFHDNNAJSA-N 896.133 9.337 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817718 YXADDVIQROVGOJ-VUBDRERZSA-N 630.892 6.196 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1083902654 YPTODKKGWQLSTH-UHFFFAOYSA-N 618.158 8.114 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1083946802 DDLVPTIUFBPHQV-UHFFFAOYSA-N 642.565 5.714 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1083960233 KEWIAALNQULLAC-UHFFFAOYSA-N 645.634 6.867 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1083988432 HMQZLFZMZLHBJH-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1Cl 1084135531 OWIZBRRIEYNPDT-UHFFFAOYSA-N 604.150 8.576 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1 1084191323 ZSUMNBONIPHIQO-UHFFFAOYSA-N 680.532 7.336 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 1084208089 UCXIMZZVDHWWHV-QHCPKHFHSA-N 576.406 5.372 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1084286219 SKMWMBXOQQDIFR-UHFFFAOYSA-N 668.732 6.747 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1 1084355486 HMMZYSLKJDDCPS-UHFFFAOYSA-N 655.536 7.799 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084384453 XUZHIUVWUCQOSM-UHFFFAOYSA-N 605.514 5.437 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)c(C)c2)o1 1084402129 OSXXDFZWOYACTM-VBKFSLOCSA-N 514.217 6.888 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084440881 YBOXQVIDODNOSW-UHFFFAOYSA-N 547.080 5.762 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084447773 FWYFLNJMTUGXTA-KEBDBYFISA-N 554.861 6.982 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084449891 UNJOFEQLMWDMJF-UHFFFAOYSA-N 616.262 6.398 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 1084527217 UUIFRWLBVQVDGI-QHCPKHFHSA-N 634.855 5.501 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccco1 1084533078 CXURZKVWJSOSIO-UHFFFAOYSA-N 640.703 6.201 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1 1084603499 FFLCMHROXNOMJO-MTJSOVHGSA-N 572.459 7.631 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653269 GKHHSMXFUCCSDF-RGRZXYTLSA-N 539.701 6.512 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747098 DEHPXMWSMKWNBV-UHFFFAOYSA-N 506.389 6.771 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772754143 QZUVCIYNFOFNKU-UHFFFAOYSA-N 541.243 5.744 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434929 QYWAENWZQGVWKH-LLRVRKPCSA-N 691.460 7.202 50 10 KKGE C[C@]12CC/C(=N\NC(=O)CCCCC(=O)N/N=C3/CC[C@]4(C)[C@@H](CC[C@H]5[C@@H]6CC[C@H](O)[C@]6(C)CC[C@H]54)C3)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 1848439089 PYYXHHBYOQWWNZ-NDMOPQRSSA-N 719.068 8.298 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1857790095 ORRGOXHOIQNRJM-OKDVQBNISA-N 902.254 10.783 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682302 LOIHCKJHJOSMRT-HHHXNRCGSA-N 504.634 6.431 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OCC 1865687373 PWOPKDIYOLKDBA-LJAQVGFWSA-N 522.649 6.774 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865689756 DYGRITJXEATJKR-FQEVSTJZSA-N 537.369 6.985 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690696 YXRHSOGINDWMGC-GDLZYMKVSA-N 528.587 6.535 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865694969 GWDXMDTWIWNXAN-MHZLTWQESA-N 506.606 6.335 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865696198 YEPXFVDNDFPHDP-AREMUKBSSA-N 521.061 6.333 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865696988 MMAMWHJAIDTBDH-HHHXNRCGSA-N 500.643 5.906 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OC(C)C 1865697494 UUBNIYLEPNOOBF-AREMUKBSSA-N 510.569 5.751 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1OC 1865700952 IEZQUEHCLIWABA-JOCHJYFZSA-N 519.388 6.081 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703407 VGTVKOSHQMIOFI-NDEPHWFRSA-N 520.633 6.464 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704009 KOXHHVAQLLTHOF-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707316 UDHMBLVYAVDCCO-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707474 XQRPVECNOZFVRV-HHHXNRCGSA-N 554.492 6.442 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866723504 FCBCRQQZFKXUGP-NSOVKSMOSA-N 513.663 5.832 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)nc(Cc3ccccc3)n2)cc1 1868207403 MICICLIJZQBKPT-JGCGQSQUSA-N 553.735 8.121 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868231467 HVJXQJWDSCWHPP-NRFANRHFSA-N 508.489 6.891 50 10 KKGE Cn1cc([C@@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)c2ccccc21 1868414929 QNWTVUWKYYADGH-MUUNZHRXSA-N 566.090 6.283 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872753211 LZTVEAGEHRJFDY-WJHCFOETSA-N 515.635 6.637 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1OC 1872753633 HAGHTCUATVHXLX-GNXKPCOCSA-N 512.587 7.134 50 10 KKGE CC(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 1872753858 QOAXRLIWMWXSOT-LCUIJRPUSA-N 507.571 6.557 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872791572 MUGZXSSXHIOOJE-WLRTZDKTSA-N 520.202 5.876 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873794309 CPJBGKKRPQZGMK-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE COc1ccc(OC)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924600987 HYMMDXSKFPCJDW-SNVBAGLBSA-N 549.904 6.537 50 10 KKGE Cc1sc([C@@H](Br)c2csc(Br)c2Br)c(C)c1Br 1945190473 NPYMJAHBYNATKL-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sncc2Br)c1Br 2081059618 JJFIXSHCGSNBFW-LLVKDONJSA-N 518.894 6.532 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)cc2)cc1Br 2137639690 ITMVVHWOKGVHSS-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE C[C@@H](Br)CCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2189284366 IYRSUSBYZZIHIG-MRVPVSSYSA-N 530.884 5.661 50 10 KKGE CCc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206404124 RIQCCTWVDJWABY-OAHLLOKOSA-N 546.322 7.627 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206405486 LCKANRMNGQLORQ-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(F)c2F)ccc1I 2207100769 DDBFFWGRIPNTNH-LBPRGKRZSA-N 519.924 6.264 50 10 KKGE C[C@@H]1CC[C@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@H](Br)C1 2230061827 MNOFRHNMSVPPHE-HRDYMLBCSA-N 537.981 7.513 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2241000545 JEVXAHSAWYKXDI-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE Clc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2277960146 YSKRRMFTSSHNNT-CYBMUJFWSA-N 532.295 7.306 50 10 KKGE COc1c([C@@H](Br)c2scc(Br)c2Cl)cc(Br)c(C)c1C 2284594710 MWBIHHHCGUCVOA-LLVKDONJSA-N 503.481 7.036 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 2293031434 GRHGCXCBFNFCDW-UHFFFAOYSA-N 525.970 6.171 50 10 KKGE CCc1ccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414532 DGBFFAAAGBUINU-UHFFFAOYSA-N 516.579 5.283 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 2297506744 PTNZVFJBRZASIA-UHFFFAOYSA-N 506.312 5.431 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2313567148 HKAYCQIJIOTXRY-UHFFFAOYSA-N 538.604 5.167 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314449499 QOLOPCZAQOXALE-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2314478127 GAJMJJQTRRMFEG-UHFFFAOYSA-N 560.683 5.995 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2314478941 XVCORLQHZFTCOI-UHFFFAOYSA-N 588.737 6.775 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(=O)Nc1nccs1 2314486615 ABVRQIOKYXKSHF-UHFFFAOYSA-N 503.367 5.022 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592661 ZQCOTBSPXJQNMB-SANMLTNESA-N 516.066 6.837 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594136 ZPFOOOYYNLDQPT-KMRXNPHXSA-N 525.674 5.951 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 2314617149 RQWLBOAAXWRXPK-UHFFFAOYSA-N 576.584 5.598 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634440 SSGSUQMKYDFQMS-VWLOTQADSA-N 572.242 6.601 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 2314640791 ZMZZUNBOKQWICF-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314750987 ITDSUVNXNPKETE-FQEVSTJZSA-N 522.557 5.585 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)OCC(C)C)c1C 2329663818 WVZDPXMEWRJHRB-UHFFFAOYSA-N 519.417 5.354 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)OCCc2ccccc2)c1C 2329699368 LFFOAGRETMLSJA-UHFFFAOYSA-N 567.461 5.941 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4cccc(Cl)c4)c(OC)c3)nc(O)c2cc1OC 2331042549 KZWDMWHCNDDUSW-UHFFFAOYSA-N 503.942 5.658 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1OCCC 2331293461 OAQOJQPZRZQNHE-UHFFFAOYSA-N 512.631 8.130 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 2331376493 JVALCKBMPCPPEE-UHFFFAOYSA-N 506.668 7.557 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331480342 JCHVNYWXJNHKIF-UHFFFAOYSA-N 520.485 8.216 50 10 KKGE Cc1cc(I)c(Oc2cc(Br)ccc2CBr)cc1Cl 2336550347 FJMYVTRIRYCXIZ-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE CC1(C)OCCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2349845718 RMSWHQKRZQJFRZ-OAHLLOKOSA-N 502.028 5.567 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2c(Br)cccc2Br)c1Br 2362253175 HWTZSPLQDNCOKC-LLVKDONJSA-N 615.154 8.013 50 10 KKGE CCN(C[C@](C)(CI)OCCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2362726848 FQOINTQLGSQXMI-HNNXBMFYSA-N 517.317 5.822 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Cl)cccc1Br 2365223583 OQBBIXOLZJUBBT-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1F 2365596420 UZUUFHMKMWISTA-AWEZNQCLSA-N 532.416 6.947 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(I)c(Br)c1 2377290930 LWCRIISHODBDIB-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE Brc1cc(CN2C[C@H](Br)C3(CCCCC3)C2)ccc1I 2377348829 ZDFUAYCUQJRSDD-HNNXBMFYSA-N 513.055 5.583 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CC(C)(C)C3)s1 6284157 CJSOXHGLTLZNLQ-OAQYLSRUSA-N 505.993 6.924 50 10 KKGE COc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)c1 13510805 UIRKWXYWSFDKLT-RMNOPMHCSA-N 518.038 6.030 50 10 KKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491608 IOCXZXVYYXSHFO-MOHJPFBDSA-N 544.615 5.282 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1Cl 38677347 IECSRXDXSXWLPP-XMMPIXPASA-N 509.389 6.392 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38685453 QLGUSJOMBMQXSY-VKGTZQKMSA-N 516.569 5.986 50 10 KKGE O=C(COc1cccc(Cl)c1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59249283 ZXTMITRJMPCWQT-AUEPDCJTSA-N 500.201 6.029 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1 59432720 ZUVJPWQFAXCZNZ-WOJGMQOQSA-N 512.201 6.336 50 10 KKGE Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1C 59680329 HSZQAMGTGGONKM-KEIPNQJHSA-N 500.646 7.241 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 100173216 BMRKVFBXSZAGMY-UHFFFAOYSA-N 554.510 6.025 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100208673 NQFTXVIHDIYHRK-UHFFFAOYSA-N 556.295 5.384 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101293638 VCXBTXAICITWMP-WJOKGBTCSA-N 548.570 6.407 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101336738 AFVJGGLVZDNJGQ-LQKURTRISA-N 532.600 6.020 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1 101367317 OQMGQVILCSHFEQ-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 101367458 ZUXXTHPZLSQFJD-SSEXGKCCSA-N 617.485 7.417 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101372064 OHDBFQQRYYBHFN-PMERELPUSA-N 563.050 6.510 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381249 ZJLLFIRDFSGRBV-JJCDCTGGSA-N 605.449 7.303 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1C 101381764 AUZDGIYXQFOBDT-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383806 AVPVZRGDJFLKAY-YTTGMZPUSA-N 564.613 6.877 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1C 101384390 FUIUKHWQEISASI-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101393420 FAQVAFNSVXJTFN-NDEPHWFRSA-N 549.023 6.219 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101397748 MNRNAVXRISWJIJ-KYJUHHDHSA-N 550.542 5.368 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 101619947 UVRMEUUHNQXHJD-IWBSIUBASA-N 541.604 5.779 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccccc1C 101712793 ATHYQYCNLBPDPF-UVHMKAGCSA-N 562.258 5.637 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCC(C)C 101727082 MZOOOAAJYJDZAR-LGJNPRDNSA-N 548.528 6.249 50 10 KKGE COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103796916 DCKINUZYPIOEBT-MUFRIFMGSA-N 522.830 6.641 50 10 KKGE C#CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103877203 SGYICEGADYLPOG-UZWMFBFFSA-N 556.460 6.390 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 103890260 UGSZYEQHEWEJAM-UYRXBGFRSA-N 548.386 7.042 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 109562138 DPHRPGAFRIBYIU-QYJRXKHCSA-N 576.682 5.261 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(=S)Oc1ccccc1 195773407 SWCSKDJCJJBGIZ-HDYSBCTCSA-N 736.963 7.582 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 195830957 OFDIKJKJPJTORF-KSZFAZSISA-N 705.251 11.282 50 10 KKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205775662 WAONGLGTIFMVPI-IKOBEORISA-N 632.742 5.491 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1OCC 207296059 VTPVCTSWSGOOMC-QDGJKXNTSA-N 506.599 5.325 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214377102 GBGKLGHHPUAETD-NVMPUMLXSA-N 584.720 7.599 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)c(Cl)cc1F 235860221 XXCKVEYELJSCBI-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 252596762 CMKHNFZCLXQGQT-HIKYLOSMSA-N 519.561 5.253 50 10 KKGE O=C(NN=Cc1c[nH]c2ccc(Br)cc12)c1ccc(OCc2cccc(Br)c2)cc1 252620270 MAOYXHHZQZMSAK-UHFFFAOYSA-N 527.216 6.036 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(OC)cc1 252641119 YZWQTMKQSUUWOI-UHFFFAOYSA-N 512.639 5.344 50 10 KKGE COc1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 254379970 BLFNRPXQIFLDOG-UHFFFAOYSA-N 568.251 5.881 50 10 KKGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1O 254384086 LTHFMNKIRXQTRX-UHFFFAOYSA-N 529.666 5.579 50 10 KKGE C/C=C/c1ccc(OCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)c(OC)c1 254450296 DVFVSHCCLPQMLO-MKBQARRLSA-N 526.511 5.736 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=NNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 254867931 LSGTZYJFFLJLSV-UHFFFAOYSA-N 528.572 6.339 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1\C[C@H]3CC[C@@]1(C)[C@]3(C)CBr)[C@@H](Br)C2=O 256020033 SNRXUXZNCDKRMT-DSEWUQMISA-N 503.275 5.266 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024895 JNQCVHANFYXNMP-HWPHOADCSA-N 630.590 10.101 50 10 KKGE BrCc1cc(Br)c(OCc2ccc(Br)o2)c(Br)c1 386055892 IFOHDWDPRFMCCL-UHFFFAOYSA-N 503.810 6.041 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)cc1 616678197 BGVRBUMYXHBAJS-LJAQVGFWSA-N 525.926 8.220 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 725422762 HSXPWXFXGMIAML-HSZRJFAPSA-N 511.416 5.309 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084031399 ZPNCIQUOBRQSDR-UHFFFAOYSA-N 551.504 6.967 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084107961 VQEQNNKWEXPQLU-MKMNVTDBSA-N 696.981 8.792 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)c1 1084274006 JUNAEIQHIKVQKW-WSDLNYQXSA-N 687.319 6.530 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 1084423172 RHQBOEJYJUXYPA-HSZRJFAPSA-N 558.416 5.151 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc2ccccc12 1084454819 IDWYOYZTMDEGTQ-UHFFFAOYSA-N 569.455 7.429 50 10 KKGE CC[C@@H]1C=C([N]NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)Oc2cc3c(cc21)CCC1(CCCCC1)O3 1614106862 AGNXIAOJZNIBNH-QNLPTKCRSA-N 600.761 6.106 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743742 GZOACEZBBZXXIQ-UHFFFAOYSA-N 517.379 6.193 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747468 IJTJIEMERVNGOU-UHFFFAOYSA-N 501.970 6.126 50 10 KKGE CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)OCC(Cl)Cl)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C 1775963540 NOGDKPUOAHYBCO-OMYDMPTMSA-N 948.843 5.224 50 10 KKGE CCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665477 KPKQRYXDKNVKBO-PLZMWQAXSA-N 533.281 10.127 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cccc(Br)c1 1865683194 ADMJUXMCMINVSR-NRFANRHFSA-N 503.787 6.173 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1Cl 1865686048 QAYVTCIRNIPZAX-NRFANRHFSA-N 503.787 6.173 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(O)c(OCC)c1 1865688298 OQCOPXPDECRHPG-FQEVSTJZSA-N 525.403 5.054 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689147 LFFRGKUQYITXEY-XMMPIXPASA-N 527.452 6.206 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865694162 VBCZFRHDWZBHNC-NDEPHWFRSA-N 544.611 6.327 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695501 OZDXYYBECGNXNS-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1O 1865695775 HEEFLZXZYZOKRC-MRXNPFEDSA-N 573.728 5.438 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698037 IPIVDEQHSVRXFI-XMMPIXPASA-N 557.404 5.300 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701458 WAIOFISBTKFWMM-RUZDIDTESA-N 512.997 6.029 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865706223 QNYWPKABQHVBNF-VWLOTQADSA-N 508.578 5.210 50 10 KKGE CSCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867068490 VNIPCDGBIHWWLJ-HSZRJFAPSA-N 508.669 5.056 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868253599 NFRMLBBPBIUJLP-UHFFFAOYSA-N 523.106 5.390 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)n2)c1 1868506364 VUBUKOYRAGAZNH-UHFFFAOYSA-N 561.715 6.315 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)CC1 1868565532 MLDKCHDJMMOHJZ-UHFFFAOYSA-N 537.693 5.619 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872746020 NXYFBVIYOKMQPM-LMPIXIHPSA-N 515.432 7.658 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752431 BOIXDPSWPBMVGQ-HVBJHMBASA-N 521.554 5.239 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872791710 RCNBYJBLNQTJQQ-LICLKQGHSA-N 508.441 7.306 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1Br 1877187053 YNKLMIGHPDUCKE-SECBINFHSA-N 535.925 6.124 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ncsc2Br)c1 1899864728 RPKZNSIJPSHPPU-HNNXBMFYSA-N 518.068 6.731 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)Cc2ccccc2I)c1Br 1922906585 KZBUSLKBZQWTDR-VIFPVBQESA-N 520.455 6.709 50 10 KKGE CCC(CC)([C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923038390 IUHBHMPWMPMCMJ-SSDOTTSWSA-N 507.435 7.731 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccsc1Br 1923038946 LYAOSTYPWFCMNB-RXMQYKEDSA-N 530.326 7.235 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CCC3(CC2)CC3)c1Br 1924608456 ILQAEEXALQKKIF-VIFPVBQESA-N 521.938 7.442 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1csc(Br)c1Br 1939455213 CCBIRXBNNBPCRS-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C[C@@H](O)CBr)c1I 1952363011 OTFQVUPSNRJUEJ-SSDOTTSWSA-N 707.910 5.146 50 10 KKGE FC(F)([C@@H](Br)c1c(Br)sc(Br)c1Br)[C@@H]1CCOC1 2065537151 YIRUJBJIQCYSGV-FBCQKBJTSA-N 533.852 6.143 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 2097825624 XMTHDZHPQYMFGT-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE C[C@H](CCCCCBr)NC(=O)c1ccc(I)c(Br)c1 2117890580 YPNMOKBZBOXCCH-SNVBAGLBSA-N 503.016 5.127 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(C)cc2Br)n1 2124765421 CUTZCZJPVXOZSC-LBPRGKRZSA-N 515.869 5.983 50 10 KKGE COc1cscc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469084 QYIJFGLUYCCDEL-LBPRGKRZSA-N 554.323 7.135 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 2141658857 DZABQCACJCRJQQ-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1sccc1I 2215853199 CMSLDUJRSBXCNS-VIFPVBQESA-N 506.428 6.447 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Cl)c(C)c1Br 2235604071 MLMYHHKRAWHTOK-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cn1nc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1Cl 2288375633 FYLUNQFVMTVJQE-ZETCQYMHSA-N 513.789 6.014 50 10 KKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2293202201 VWFGATNEHPXURB-UHFFFAOYSA-N 538.511 7.391 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2293215418 SOTFJPJGEZCEQS-UHFFFAOYSA-N 670.122 6.243 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 2296506927 LZMDJRDFNHDSEP-QHCPKHFHSA-N 522.457 6.621 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313568642 XKWYLBCVSAOFMG-UHFFFAOYSA-N 577.435 5.201 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313570577 AECDWMYSQXWFSJ-UHFFFAOYSA-N 546.794 7.078 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2313631134 LDPAGEIDTXIDPU-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314489310 RYJXZHHDWKBQFQ-UHFFFAOYSA-N 501.907 6.802 50 10 KKGE CCn1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2314502982 NTYRAHZXVONKLQ-SFHVURJKSA-N 529.070 6.491 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592171 NAPGMIHRDDRZBL-SANMLTNESA-N 566.510 7.190 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593983 WZJRKXRFCSLXGY-VWLOTQADSA-N 552.483 6.135 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314618242 KCZRDQUBWKLNKP-ISKFKSNPSA-N 554.650 6.525 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314618948 XGNWTHUSTNGEHP-PMERELPUSA-N 605.094 6.543 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 2331331561 OFAULYJLODVJEK-UHFFFAOYSA-N 501.608 5.690 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 2331414206 NUHFZQNAJMRDEU-UHFFFAOYSA-N 517.448 7.711 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1Br 2368177813 UXFBAYPEEIKFRR-IVZWLZJFSA-N 594.805 7.999 50 10 KKGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4C#N)cc3)o2)cc1C 8451734 UALYAOFKXOCFFC-UHFFFAOYSA-N 555.660 5.255 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 16754086 BHWZIOBLBFQRCT-MUUNZHRXSA-N 506.606 6.021 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38685999 AFSHJTXSIRPMNI-GDLZYMKVSA-N 510.634 6.990 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100287033 NRYNFCXSPDVBHF-UHFFFAOYSA-N 566.496 5.962 50 10 KKGE COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100921835 CGSZWSGUUJIJOD-OAUYIBNBSA-N 544.509 5.973 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)CC1 101013463 CCXOHDVPRSJICI-PLRJNAJWSA-N 557.720 5.316 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccccc3F)nc12 101115646 CPAODLROSJNYLO-VBKFSLOCSA-N 519.330 5.243 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 101362578 IANZYNYAJOKYNB-JGCGQSQUSA-N 546.623 6.882 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101367076 CJIWYHJMBBSBCO-XMMPIXPASA-N 521.913 5.093 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 101378141 BNQNUIMLLJRQDC-PGUFJCEWSA-N 572.705 7.991 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378634 SHOWZCVSAXHGDR-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382889 NNGUQYCAJRLPKM-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384131 CNHUFPDWDGNSQH-CAXHOMQVSA-N 587.434 7.548 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101385781 RCALUVHGQFUHEJ-QPHCHLROSA-N 601.030 6.658 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387017 ZXMWYGJXUDXQEL-LJAQVGFWSA-N 601.428 6.613 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 101393486 HEOSQSKSIUJTHB-SANMLTNESA-N 599.467 6.635 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1 101399271 DPAVZQWWFJHUSU-HKBQPEDESA-N 607.018 6.471 50 10 KKGE CC(=O)N/C(=C(/S)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618799 JZHCGOQYPBXPIP-ZQHSETAFSA-O 500.649 6.106 50 10 KKGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 103139512 QNSXWWSDMUYTAH-SSEXGKCCSA-N 583.111 6.181 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 103797392 NQOCPYCBMICOIM-KKMKTNMSSA-N 609.645 6.796 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 103878495 UBTGJDNJLZZYMS-VFLNYLIXSA-N 571.811 6.289 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150433269 QRKPVCYYGVGKJA-UHFFFAOYSA-N 716.290 6.801 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc(OC)c1OC 150466246 AESZVLQAGSEWDM-LJQANCHMSA-N 660.721 7.182 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 150468139 DXGGBKOXAXIUEF-FRKPEAEDSA-N 636.465 6.125 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 150477438 POTOHQUTEOLRAA-VIZOYTHASA-N 764.539 7.345 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481965 JBPLYOFUTYEDQG-UUWRZZSWSA-N 659.566 8.587 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 161109704 FLSCFZRCTZTUEC-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 163807160 VUPPQJSHGAKMMM-WCMJOSRZSA-N 672.317 6.136 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 164623399 FGAHMASTWYEDNG-RQRWGXNHSA-N 623.367 9.409 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 205664115 WBQRNMPKHBZKAK-JBXJFQBWSA-N 532.571 6.550 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 205665463 IWXLAELNCRWZAC-URBYCWAPSA-N 530.580 6.111 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 206676227 BQEUUOJUJWJSDM-UQQQWYQISA-N 548.551 5.186 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 214316035 YDMSIODDDSEZMW-QQXSKIMKSA-N 518.573 5.632 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 214316210 TXPRPJOSBOENJH-YSMPRRRNSA-N 504.546 5.242 50 10 KKGE Fc1cc([C@H](Cl)c2cc(I)ccc2Br)c(F)cc1Br 236240431 SSIPJROIPVIASV-CYBMUJFWSA-N 522.352 6.423 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccccc1OCc1ccccc1 252461703 NMLNZULMKSWZSI-UHFFFAOYSA-N 518.205 5.320 50 10 KKGE CCCCC[C@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530223 OUFIJZVLVZAQTQ-NEWIOEQHSA-N 549.349 10.844 50 10 KKGE biogenic CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2-c2ccccc2)cc1 254489591 CTNPWEKMQQYHQX-WBBLWEPESA-N 530.097 6.706 50 10 KKGE Br[C@@H](c1ccccc1I)c1cc(I)cc2c1OCC2 306077181 ZVRVTDMBMGVSSD-AWEZNQCLSA-N 540.964 5.315 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Cl)ccc2I)c1Br 312255988 KBYGTYVRIIXILP-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CCC(C)=O 616583206 NVXCQIGISGANFA-ZYZLCCBESA-N 524.752 5.250 50 10 KKGE Brc1csc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 705446913 CRQKNZPGRUXQJA-SNVBAGLBSA-N 578.889 6.297 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 721608195 FDSOSNJQCCYEOS-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725382696 KXQSFRKAWGBTDI-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE Fc1cc([C@H](Br)c2cc(Cl)cc(Br)c2)cc(F)c1OCc1ccccc1 725424155 MVVMCDRGEQWXMG-LJQANCHMSA-N 502.580 7.444 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 1083898698 ULIQZIYWEFNYII-BKUYFWCQSA-N 503.385 7.280 50 10 KKGE CCc1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 1083901356 QNYRBSJUGNMOKF-UHFFFAOYSA-N 524.602 5.221 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 1084149812 UBQFTFDUCBLNNC-UHFFFAOYSA-N 608.116 5.672 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(Cl)c1 1084347735 CXEKWMDIECJZTM-WQRHYEAKSA-N 501.797 7.170 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(I)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084388535 MGQWNIZKCFZJES-UHFFFAOYSA-N 611.889 5.079 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 1084391445 UHYMVPOWKUJCRQ-UHFFFAOYSA-N 553.622 7.128 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1 1084394979 RLBVKSHCEKILTO-RUZDIDTESA-N 620.459 5.771 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084414965 OMHIEWQIXSIGOD-UHFFFAOYSA-N 585.513 6.110 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1cccs1 1084495965 RRTUNQBVSJKIEK-YVLHZVERSA-N 532.257 6.075 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 1084499845 AVODFVBWMOBEJX-SANMLTNESA-N 507.030 6.010 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1Cl 1084553948 KUPVQLWFPCIJEJ-CXUHLZMHSA-N 613.666 7.385 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748797 OCNJTIPCVIQBFQ-UHFFFAOYSA-N 546.454 7.136 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750668 FTEAXVNVVHIZFI-UHFFFAOYSA-N 504.896 5.488 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1cccc(Cl)c1 1772752236 BNQJPMWRWYRSKQ-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 1772756449 YYFJWHYAAIHANQ-UHFFFAOYSA-N 504.428 5.934 50 10 KKGE Cc1cnc2ccc3c(nc(Nc4nc5c(O)nc(N)nc5n4[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O4)n3C)c2n1 1848437931 JWWXEOUHIKUITH-RJGXRXQPSA-N 707.001 6.696 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688502 UCFNHHNCJHTYFN-NRFANRHFSA-N 527.394 5.108 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865694698 ZKTIKDYQVQHYHM-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1OC(C)C 1865696080 BUTHNZFTNHHDJF-NDEPHWFRSA-N 520.633 6.229 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696336 MANGOFJSOHMMGO-HSZRJFAPSA-N 563.839 5.947 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696374 DYQUZCDDTFTMLS-MUUNZHRXSA-N 575.496 6.980 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703200 PPACSKZQDUUBOY-HKBQPEDESA-N 538.651 7.012 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704359 UFBBKFKNNIYDOT-VWLOTQADSA-N 541.479 6.604 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OC(=O)c1ccccc1 1865705519 XWLAPMUNHSRAIW-LJAQVGFWSA-N 528.568 5.780 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712089 PHJDDYAVCFBYTR-XIFFEERXSA-N 568.677 7.201 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866681816 RYZFRAFTONVKFT-IZLXSDGUSA-N 524.621 5.486 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866744815 XYLHHEFDCZNXHL-VMPREFPWSA-N 529.706 6.585 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009981 AXWKKIOKBJDPBV-VSGBNLITSA-N 529.662 5.614 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 1872751038 QVVGUECGQYIHHG-OLUGBCFNSA-N 501.608 5.770 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872784763 ZWTYZEVVJWRLDG-PXLXIMEGSA-N 505.640 5.919 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1scc(Br)c1Br 1902775340 CBBCUNCDYYWDDG-LBPRGKRZSA-N 526.088 5.373 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1905842962 IXCQEFQTXNAOMB-LWKDLAHASA-N 521.816 6.670 50 10 KKGE COc1ccc(OC)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924602285 VKUBHEMQFAXBOB-NSHDSACASA-N 505.453 6.381 50 10 KKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(Br)ccc3I)cc21 1925758524 XGKWGYDZUWWEJO-JDNHERCYSA-N 507.991 6.034 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1csc(Br)c1Br 1945183226 AKJLKHJCAGIVHX-VIFPVBQESA-N 523.935 7.144 50 10 KKGE CC1(C)C[C@@]1(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495320 PWZKDAMBLPQRGP-YPMHNXCESA-N 524.316 7.453 50 10 KKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470346 ZXTFYGAYMZKTJI-VILFBLCSSA-N 546.269 7.308 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1csc(Br)c1Br 2141632020 AOHDRTHITQFAGZ-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@H]21 2206395511 OREKFRWSFZPTJW-CRVAKTTISA-N 550.310 6.440 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206397815 NCBJDEPCGUUWGQ-AXMNTDEYSA-N 602.731 7.464 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(C)c2)c(Br)c1 2207104118 QMVOLFRUOAYGHM-INIZCTEOSA-N 510.007 6.245 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(C)c1Br 2218965042 MPZDTCWRXBCDCL-ZETCQYMHSA-N 513.929 7.696 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(C)c(I)c2)cc1Br 2232833869 FROBUHYTMYLPMD-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Br)ccc1Br 2255959608 JTFNOTGEDNPOBL-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1I 2269550837 IZSNLHUDYVDJRA-AWEZNQCLSA-N 607.849 6.151 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1scc(Br)c1Br 2272737791 FWAQQUIRFFFQAI-VIFPVBQESA-N 604.728 7.561 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198246 MWCRQUKKABOSIE-VWLOTQADSA-N 502.039 5.434 50 10 KKGE CCC=CCC=CCC=CCCCCCCCC(=O)O[C@@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818781 ZWPIZTGCEXKIMJ-PSXMRANNSA-N 560.863 10.828 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 2296544523 VRBCIPLXKPHELE-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2ccccc2Cl)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645859 OJOURDZTONQGKJ-UHFFFAOYSA-N 530.005 5.542 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2296679454 COLFFARMGPHXKT-UHFFFAOYSA-N 504.015 5.504 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1 2314533826 UDEJDAXRRHFPGB-UHFFFAOYSA-N 529.394 5.666 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592491 VLVHQFQMHWVOIL-VWLOTQADSA-N 552.483 6.766 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592890 DEHYCCOZDUYAEA-QHCPKHFHSA-N 542.444 5.728 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593845 UPEXYWWODCFPQI-DEOSSOPVSA-N 504.011 5.091 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314618047 GHBFGCOHJAPXSM-NRFANRHFSA-N 529.556 5.801 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314618499 OPDDMXLLLKMKMZ-UHFFFAOYSA-N 548.668 6.817 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314619084 ZMYXYCCLOLRFFT-UHFFFAOYSA-N 524.621 5.264 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634043 FPIPVYIGTIVHCA-PMERELPUSA-N 508.618 6.610 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643085 BAAGZHZMLCWDKB-XIFFEERXSA-N 613.497 7.808 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)c1 2331246611 GEHWLDKEAKSCPK-UHFFFAOYSA-N 513.962 6.223 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OCCC)cc4)cs3)CC2=O)cc1 2331318456 MSFJBQZQLGTYAF-JOCHJYFZSA-N 501.652 6.787 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OCc1ccccc1 2331464339 BSUSCTGUBPGXMT-UHFFFAOYSA-N 516.622 8.254 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2cccc(OC)c2OCc2cccc(C)c2)n1 2331474884 UAZRAYDOXXOKDZ-UHFFFAOYSA-N 517.050 7.741 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCCc1ccccc1 2331478493 OOUNUDRALVIRKY-UHFFFAOYSA-N 508.687 8.110 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(I)sn2)c1Br 2339673722 DELUCABQGSEMGJ-JTQLQIEISA-N 581.893 6.074 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Cl)ccc1Br 2360494626 WILFOIVXGVNHFB-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362228219 BISVZKLMXZYHCN-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE FC(F)(F)C12CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363911803 ZBHDKXQLFUWQMY-STOUBEHRSA-N 519.402 6.474 50 10 KKGE CCCCO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2367612525 XZJAEMKNXMNXQL-QLFBSQMISA-N 518.027 5.291 50 10 KKGE Cc1cccc(C(CBr)(CBr)Cc2sc(Cl)cc2Br)c1 2372263330 AQASXWBPBKAFAY-UHFFFAOYSA-N 501.509 6.743 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 35004956 XZEGEWAYKWMLDX-UNOMPAQXSA-N 507.808 7.104 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)oc2c1 38688292 GLHAGJWBJODXRX-RUZDIDTESA-N 519.384 7.102 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OC 59157517 LCADYEUTBYHOJD-TXNBCWFRSA-N 502.634 6.213 50 10 KKGE CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 59305206 ZTGVVKWHFRUYTR-FOKLQQMPSA-N 510.182 5.519 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 101067274 AGJVTHYJYIKXLQ-UXHLAJHPSA-N 549.347 5.597 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101336192 NIXSAJMLLWFZSA-MTDXEUNCSA-N 538.648 5.734 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101338615 GNGDNNDKSJUCCJ-AJBULDERSA-N 554.650 6.653 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362620 XFDBWZKBLSFSDD-FLASPHMUSA-N 560.650 6.980 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101368138 NAQKOUKPIXBOKL-JGCGQSQUSA-N 556.659 6.590 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101368934 QAJFQSDEDWZCFY-VWLOTQADSA-N 535.394 5.684 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 101374495 GVJSMPYUCKJXKY-WJOKGBTCSA-N 558.631 5.865 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1OCC 101374516 FCEOOJYZMVZZOZ-IDVKVFGRSA-N 538.644 6.800 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101374595 YMRLEZKZIIJDNJ-PMERELPUSA-N 573.602 5.765 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101374819 VHRFGFXSKYGSBP-MUUNZHRXSA-N 578.021 6.653 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383193 IGZYEKZJLOYLFZ-HKBQPEDESA-N 569.013 6.130 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385293 SJLYHIVNLSIXQZ-KHAIMMOXSA-N 600.715 7.717 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385498 KWASJULQCZFLBG-QNGWXLTQSA-N 608.694 7.538 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386288 WWJTZCGEBMQKPA-FZYZMVIOSA-N 601.030 6.658 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101386500 AHMJOLBOHCNRFD-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389494 BMICWVJJHBWDDH-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)oc2ccc(Br)cc12 101390166 RAERNAWFIMYDSS-AREMUKBSSA-N 557.444 7.239 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1Cl 101391244 MPOCIWXOWORWRK-QHCPKHFHSA-N 529.807 6.873 50 10 KKGE CCNC(=O)c1c(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2 102396256 IVAXXVQUXZZTKX-SILNSSARSA-N 509.635 5.545 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)c1 103741803 BUHGVCKGMNGMHY-FNBPXTNNSA-N 522.424 5.093 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1C#N 103879588 FSVSGGRWFYBBJB-WCMJOSRZSA-N 544.405 6.147 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccc(Br)c2)cc1 103984386 MPUISLKBQINCFM-ZSIOYMQPSA-N 525.834 5.090 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 150429148 KZXPXINCLCHMCE-XACFZUKVSA-N 635.309 6.061 50 10 KKGE COc1ccc(COC(=O)[C@H](CSSC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 199054620 RZBPKJZEGIUELJ-MHZLTWQESA-N 551.730 6.826 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205654328 BLKVIPMRYBNBPZ-JWCYVGHESA-N 510.546 5.106 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCCC(C)C 207167718 MRUURQVDNXVMHW-YESUKIEESA-N 544.604 5.564 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 214326905 GAZSHAVKOOPQJM-ZNBSHBAVSA-N 536.632 5.489 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 214363537 NAHVUTCFDUHFLU-VAMRJTSQSA-N 562.714 7.423 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 235814388 JJHHNNVVMFTVGO-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 252640054 YQDQKLZJQQTFEU-LMGJUQTBSA-N 612.702 6.527 50 10 KKGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=Cc1c(O)ccc2ccccc12 254346342 DYESYRMMTFKBAQ-UHFFFAOYSA-N 634.503 5.585 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC(C)=O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254448192 DTPFAWORUKQHDW-UHFFFAOYSA-N 571.703 5.798 50 10 KKGE O=C(NN=Cc1ccc(O[C@@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1cccc([N+](=O)[O-])c1 254806459 TUSMVJKGHFMMPF-AREMUKBSSA-N 585.831 6.017 50 10 KKGE CC(C)COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 261366727 DBCWAERWKBKHEN-TYCQWZJGSA-N 580.155 6.124 50 10 KKGE Cc1cccc([C@@H](Cl)c2cc(Br)c(Br)s2)c1I 300470545 BUSLEFHSXKLOSZ-SNVBAGLBSA-N 506.428 6.514 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Br)ccc2I)c1Br 312801966 IYAWNQJWNFDCKO-SNVBAGLBSA-N 560.398 7.225 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 616581748 BTWRLONRLCBMRK-XEOXDSMQSA-N 523.036 6.533 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)c2n1 616587831 SSTWVRZGZZZUQH-NFKOTTPMSA-N 910.142 10.084 50 10 KKGE O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237484 IQDNBHPXVZOCON-VWLOTQADSA-N 612.979 8.530 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)c2C)cc1 725434924 OMPSNNRPQGVQKE-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818420 QXQZQDMMTWVWDX-VZMNNQEPSA-N 654.920 8.706 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)COc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084013893 LIGRWSMBWJVKOV-DUELTEGESA-N 511.622 5.758 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084037549 LWBVOAIQGWOXQQ-SFHVURJKSA-N 660.513 5.623 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084048275 ZSJQIVPHMHSDCQ-UHFFFAOYSA-N 562.258 5.962 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccco1 1084196931 TUIJYJPTGZXUEI-UHFFFAOYSA-N 508.361 6.182 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl 1084383165 PXACENYUBMFHJQ-UHFFFAOYSA-N 516.381 5.069 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12 1084400607 YDXAVQPUUONOLO-UHFFFAOYSA-N 539.429 7.420 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746787 HDYIFZDUDCWTAI-UHFFFAOYSA-N 593.219 5.073 50 10 KKGE Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccccc2)cs1 1772755025 HHRAEPKRIXPPEB-UHFFFAOYSA-N 552.519 6.702 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865686919 FFGDWNAKSPLYQC-OAQYLSRUSA-N 532.950 6.340 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865687024 HRWYHFHBTPNQHM-MUUNZHRXSA-N 571.077 6.997 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OCC 1865689191 MHCDTJNACSLWBR-MHZLTWQESA-N 557.050 6.276 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865691014 HBTNDDSNEIIJDU-HHHXNRCGSA-N 506.606 6.253 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865691197 LZUJNVGUGLMVFG-XMMPIXPASA-N 537.458 6.129 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865691903 DQPKTICIUNPFOV-QFIPXVFZSA-N 543.849 6.002 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696231 YPSWQXFBMYIOFR-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865697503 UWOKTLPEARAOLR-LJAQVGFWSA-N 550.659 6.321 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865701908 HWYXRXYJTNEXKX-GDLZYMKVSA-N 533.676 6.288 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703162 OQTLQFWVTOUUAN-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704395 UXIFCPBKOWMUNB-WJOKGBTCSA-N 526.640 7.084 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706146 OYBQXYLOTBAOKE-NRFANRHFSA-N 548.784 6.082 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709605 DIXMVRZEPMNQHQ-HSZRJFAPSA-N 531.931 5.526 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866723506 FCBCRQQZFKXUGP-WUFINQPMSA-N 513.663 5.832 50 10 KKGE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866849094 XFXFLZFTYKUWFJ-DEOSSOPVSA-N 560.477 5.496 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990757 MMWUPNAUZDJZKR-UHSQPCAPSA-N 575.687 5.308 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867003620 IPPKQAQZIMPUTH-URLMMPGGSA-N 576.118 6.478 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NC3CCCCC3)nc(-c3ccc(F)cc3)n2)cc1 1868457020 XFEOUTRRCNFSID-DEOSSOPVSA-N 516.646 6.017 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)cc1 1868565905 PNGIBRWEXVALMR-UHFFFAOYSA-N 537.693 5.619 50 10 KKGE COc1ccc(CCN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)cc1 1872747991 BUXHBDQLDIDTIW-LCUIJRPUSA-N 507.571 5.607 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2=O)cc1 1872748960 VAGUBHDLBUVZRL-IHCLVQKISA-N 512.462 7.305 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872751855 XEPBFWYFUDWLHG-JZJYNLBNSA-N 518.551 5.113 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1C 1872754152 FROIEKLGWJRVGR-CYMZXICGSA-N 517.876 7.720 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1C 1872754153 FROIEKLGWJRVGR-PDNPPFGYSA-N 517.876 7.720 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872784147 FRUVNAYWXQWUJU-UDWIEESQSA-N 507.840 7.869 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2cc(Br)cc(Br)c2)C1 1900366990 KTTFLVPSIFBCEV-UONOGXRCSA-N 514.052 5.111 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@@H]23)c1Br 1924613978 MCASUPGJDXZYNF-ULAWRXDQSA-N 507.911 6.908 50 10 KKGE O=C(CCCCBr)Nc1cc(Br)c(I)c(Br)c1 1946435035 RAMGHPGUCGFUJA-UHFFFAOYSA-N 539.831 5.320 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1sc(Br)cc1Br 2013205330 RWZOXOVMFNHERR-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2024285715 ZAKGHHZUBANXJU-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012736 HJVZUVSIRAKMNI-OUEXVQQPSA-N 784.887 14.392 50 10 KKGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1 2054724651 DVLICOWBWULAJJ-MENXEMIHSA-N 749.459 6.791 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2CO[Si](C)(C)C(C)(C)C)cc1 2065283235 ZSUIHOVHCMASRO-UHFFFAOYSA-N 523.599 7.057 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2097826725 GPVZGXNIJBGUPH-LBPRGKRZSA-N 536.258 7.251 50 10 KKGE FC(F)(C1CCOCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 2128896050 MSIMQAXWQAMCDB-MRVPVSSYSA-N 503.428 6.424 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCOC[C@H]1C2 2141471700 VDUJBUOZDZVIOT-AJJMPYILSA-N 538.299 6.443 50 10 KKGE BrC[C@H](Cc1ccccc1Br)Cc1c(Br)cccc1Br 2150495570 NENWTQCFADZOQR-LLVKDONJSA-N 525.904 6.770 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1c(Br)sc(Br)c1Br 2163396449 OXIAEZVSNVHJQD-XPUUQOCRSA-N 557.918 7.687 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1C1CCCCCC1 2199985707 CSGAJFKTEFQWBF-NRUUGDAUSA-N 505.541 7.922 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)ccc2Br)c1 2224050057 MBKZTMACOLMEIO-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 2225617540 PIECCRNPQHVGLQ-CYBMUJFWSA-N 627.709 7.202 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCCOCc1ccccc1 2225689515 ZDIMFWFRTHPECJ-CQSZACIVSA-N 500.662 6.858 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)c1Br 2260511477 IFESOMWPOCJYMN-LCWDIZFYSA-N 521.938 7.442 50 10 KKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2295275420 UYEFRDGCWGRRCK-CQSZACIVSA-N 527.876 6.661 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C(=O)OCC)c1C 2296789945 DEAKPPSIJSIPCY-UHFFFAOYSA-N 535.603 5.616 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566871 CEAKJZSKWPGKOM-UHFFFAOYSA-N 554.847 6.076 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccccc4)s3)o2)cc1 2314433181 KVWQSXYYVAUNFB-UHFFFAOYSA-N 545.620 7.563 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314452472 NRSTXBPJUYKINO-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc(I)c(Br)c2)c1 2314453539 XOEZQHQCESXKCT-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE Fc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1I 2314456397 WTONUBVQBYAJLH-LJQANCHMSA-N 576.041 7.256 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@@H](C)C2 2314570978 ADXHNCNJCCAGIR-CQSZACIVSA-N 529.445 7.162 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314616734 IQGLVBPNEDFARO-JOCHJYFZSA-N 570.649 5.972 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Br 2314618570 PVKFAYDVCPIYIW-UHFFFAOYSA-N 589.490 5.718 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314618667 RJUWIKUAYCCZMX-UHFFFAOYSA-N 612.089 6.959 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314640666 JHUCDDRDMNJDCE-HKBQPEDESA-N 543.063 7.526 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 2314640794 ZWYVBIJAIWKCPL-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643477 ZXPGBIJZAWWFPX-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC 2331337970 NUUGQECEOLYDHH-UHFFFAOYSA-N 501.564 5.212 50 10 KKGE Fc1ccccc1C(CBr)(CBr)Cc1sccc1I 2338750306 QYORJGSEEZKUIP-UHFFFAOYSA-N 518.027 5.762 50 10 KKGE CC1(C)C[C@@](C)(CBr)CN1Cc1ccc(I)c(Br)c1 2349831981 NVFREIAWWJQFNU-HNNXBMFYSA-N 501.044 5.439 50 10 KKGE Clc1ccc(I)cc1COc1cccc(CBr)c1Br 2352350766 OOTBSRISSKHTBD-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2358265491 UNBBFHIKYFRIMI-IMSYWVGJSA-N 594.805 7.999 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360494657 WOVRJBDJMJCCER-LLVKDONJSA-N 509.797 7.281 50 10 KKGE Cc1sc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1C 2362239595 YMVYBORDFYDDCD-LBPRGKRZSA-N 505.472 7.475 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCC2CCC(C(F)(F)F)CC2)C1 2381549760 DTPBEBFTMHSUHF-JTTJXQCZSA-N 505.359 5.576 50 10 KKGE N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccccc3)cc2)cc1 3287523 VWUCFRHXPPHNHI-VCNVVWDHSA-N 537.579 6.030 50 10 KKGE C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 12364847 IQGOVVNWRMCMOQ-HJHSVFMCSA-N 502.412 6.132 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C(SCc2ccccc2)SCc2ccccc2)cc1OC 20645749 VPMPERYCKCOYNG-UHFFFAOYSA-N 504.677 5.964 50 10 KKGE biogenic N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NC[C@H]1CCCO1 35446229 DHTWESALEVUKRB-VTAYSDJUSA-N 522.580 5.460 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc([N+](=O)[O-])cc1 39867629 XCQURJWRCXFMSR-UHFFFAOYSA-N 511.513 5.214 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 58892662 UIWYWLOVWKCDLS-DHDMPULVSA-N 501.410 5.935 50 10 KKGE c1ccc(P(c2ccccc2)[C@H]2CCC[C@H]2[C@@H]2CCC[C@@H]2P(c2ccccc2)c2ccccc2)cc1 100009555 UKCDADXCAXXBGR-CUPIEXAXSA-N 506.610 7.590 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100185810 QTBYGVIZCBSVMP-UHFFFAOYSA-N 594.550 7.033 50 10 KKGE CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100215456 GBULFXGACAQVGJ-UHFFFAOYSA-N 597.535 5.347 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 100236406 OEOGZGSCACMSKN-ABZYITTCSA-N 590.312 6.153 50 10 KKGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc4cc(Br)ccc4c3)cc2)cc(OC)c1OC 100869928 UNRHJYOSYQMYHL-ACXHZZMFSA-N 593.430 5.376 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 101115340 SKIQVYOTTKPGLG-QINSGFPZSA-N 566.209 5.557 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 101245014 LHISPQXAOMTGRO-FGYBPRDLSA-N 537.729 7.526 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101336254 UGDPUCOOKZDLQJ-LWKXQZBCSA-N 550.659 5.579 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337483 DEWKFGJUHONJHW-UUXIJQDSSA-N 514.585 5.901 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101338653 SZFMMQVQBLUDSP-NDZAJKAJSA-N 589.095 7.307 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340181 KJGZSHKMAZDALR-JGRMKTMXSA-N 614.746 7.342 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 101368807 FJGWJTZAQLJIOW-DEOSSOPVSA-N 541.785 5.314 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 101368946 LQBHZCQWAUAKRX-VWLOTQADSA-N 535.394 5.682 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101376734 QSTVIFPBXRSMTA-HHHXNRCGSA-N 539.415 6.375 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380172 RBGXRKFLIYGJDV-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384266 SUJHRFBDFOGEQH-XIFFEERXSA-N 578.640 7.411 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385117 WZKRINCBZXHWKI-MGBGTMOVSA-N 574.677 7.318 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387592 NFTRXIXCYARPNL-HKBQPEDESA-N 621.904 7.601 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101388236 GUMNEJABOXELTE-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c(OC)c1 101392189 VHRXHMXTCZBMHT-QFIPXVFZSA-N 587.868 7.316 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 101396949 HGQIZDJBDVNKAF-PMERELPUSA-N 536.628 7.364 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)sc2c1 101398604 BTMDBDPWMLJXCC-LJAQVGFWSA-N 597.067 8.019 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)oc2ccc(Cl)cc12 101398681 RAGVNVLULNOIAR-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1OC 101702160 NGARQVZYUKIOHE-OEAKJJBVSA-N 546.620 5.659 50 10 KKGE CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 102006828 OAQSKWNOOVVDLD-QDTIIGTASA-N 530.046 6.309 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1Br 150387317 VUBBQSMLLIPACH-UHFFFAOYSA-N 725.051 5.370 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C2=O)cc1 150496994 WSDGWKOQEGLNQU-QCFMCPCVSA-N 634.736 7.270 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 163262869 ASLGXSUNRNUXGW-KJRGEGHNSA-N 636.386 5.952 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 163800379 DTMQLEXUZISAQH-RWPZCVJISA-N 647.254 6.131 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1n2-c1ccccc1 218374752 ZHTRIPZOLUKZBJ-UHFFFAOYSA-N 643.663 8.063 50 10 KKGE O=C(c1cc(I)ccc1Br)N(CCBr)Cc1ccccc1 232487546 FDIVEHGEMHNLEG-UHFFFAOYSA-N 523.006 5.091 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 252635759 XASWKCZDOYGMIV-WBYXHGIYSA-N 614.338 5.685 50 10 KKGE C=C(C=O)C[C@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1 253684499 LYTCVQQGCSNFJU-PJLYXUTNSA-N 895.096 5.472 50 10 KKGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254387379 OFHQNBHUEXMOKC-UHFFFAOYSA-N 512.683 5.540 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 254698027 JAKDRLRQJVYLIC-VANGJDQESA-N 541.655 5.677 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)cc1 725418971 OBZLPKIVQPVSCP-UHFFFAOYSA-N 629.157 7.354 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817648 WUUPISRMPWBNRI-PVTMFYCFSA-N 744.913 6.611 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12 1083949428 YJDBYJVDIASJTJ-HZHRSRAPSA-N 592.320 8.762 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1083950294 QMYMLYFDFLBBPZ-LJQANCHMSA-N 534.617 5.018 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1 1084038175 PNDAIIKJMDEWBF-UHFFFAOYSA-N 532.507 7.054 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084113212 MYDYSCKQBPNFAZ-UHFFFAOYSA-N 688.143 7.848 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084229855 QJZCNAVWPMIZSW-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1 1084304904 LOGBUMHTSQKGTK-QFIPXVFZSA-N 501.808 5.645 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1cccc2ccccc12 1084507548 CFILXADWFJSSKR-UHFFFAOYSA-N 568.471 7.135 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749810 PHMXHXCEAZTSNT-UHFFFAOYSA-N 519.557 5.582 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl 1772754538 XZNCUPVVYQHRCG-UHFFFAOYSA-N 535.427 6.777 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 1772755071 KNSPJKHSYMHLSB-UHFFFAOYSA-N 524.067 6.294 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=NC(=O)c4ccccc4)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1857741821 CSRPNZIUSKVNCV-YIZRFDMBSA-N 978.213 10.613 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865685309 GTSQRRLNPXQGLN-INIZCTEOSA-N 534.152 6.782 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689684 CJXDFFJACLPCED-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865691390 QRHKSVNRWPZRPD-HSZRJFAPSA-N 553.457 5.611 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865691718 ZKSCNVPILJBSCY-AREMUKBSSA-N 502.615 5.629 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692941 GSGPFSLWOFAFLP-RUZDIDTESA-N 547.442 6.862 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695483 OUGZZIPREGUOGN-JGCGQSQUSA-N 556.666 7.092 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865695777 SSXUEUNBVHHAKL-VWLOTQADSA-N 510.997 5.828 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCCCc1ccccc1 1865696317 DPANDQPRWSEFLR-GDLZYMKVSA-N 541.051 6.132 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697306 ZGRUOUIJCLHURK-HXUWFJFHSA-N 517.786 5.363 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)c1OCc1cccc(C)c1 1865705254 PODOUTZTTCXKDF-HHHXNRCGSA-N 510.569 5.493 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)/C(C)=C/c2ccccc2Cl)C(=O)Nc2ccc(SC#N)cc2)cc1 1866817653 KGMGMFVELLEOFH-DHIVUKOYSA-N 534.037 5.608 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867137826 GKXNYKAEXLTRMO-XRKRLSELSA-N 570.114 6.810 50 10 KKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413861 DJDLTZJHHDXMCF-GOSISDBHSA-N 512.082 8.061 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H](C)N1c1ccccc1 1868434034 VQOPRVIKMOFVOM-NHCUHLMSSA-N 527.097 7.217 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ncccc1[N+](=O)[O-] 1872729190 SDBRUWWVZMJNNU-OQLLNIDSSA-N 505.155 6.702 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OC)c1OCc1cccc(Cl)c1 1873794384 GRZPIIVOUCXYML-PGLHNWFYSA-N 504.027 5.317 50 10 KKGE O=C(c1cc(I)ccc1Br)N(CCCBr)Cc1ccccc1 1914640802 ULUVCJCWKLEGLA-UHFFFAOYSA-N 537.033 5.481 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)s1 1922894947 PWSJJJRSQCTHRU-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)cc1Cl 1924599725 LABSMCINIFJSPS-VIFPVBQESA-N 515.826 7.295 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924613546 JRVXOMBRUBAXGU-PZACJGDYSA-N 521.938 7.154 50 10 KKGE C=C[Si](C)(C)O[Si@]12O[Si](C3CCCC3)(C3CCCC3)O[Si@]3(O)O[Si](C4CCCC4)(C4CCCC4)O[Si@](O)(O3)O[Si@](C3CCCC3)(O[Si](C3CCCC3)(C3CCCC3)O1)O2 1933242747 LOBZRAJXPONROZ-VJIPYREDSA-N 959.697 10.290 50 10 KKGE C[C@]1(CI)CC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167352 VNGHPZXZCLMYEW-ZEQKJWHPSA-N 514.403 6.890 50 10 KKGE Cl[C@@H](c1cccs1)c1c(Br)c(Br)cc(Br)c1Br 2025782754 PBTWVFOYBLQAOG-NSHDSACASA-N 524.297 7.126 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2065891303 XGWSXEVWCNXRFZ-SSDOTTSWSA-N 542.316 6.168 50 10 KKGE O=S1(=O)CC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498724 CMOIGKHGPXZOQA-LDWIPMOCSA-N 590.751 5.360 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 2137656191 OWOQMUFJAXPAEH-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCOCC1 2141469830 CINHVVXWEFLUNC-GFCCVEGCSA-N 584.766 6.989 50 10 KKGE Cc1cc(F)c(F)cc1[C@H](Br)c1ccc(Br)cc1I 2142278942 JULILQKGRFFDEI-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1cc(I)cc2c1OCC2 2143867572 DOWDJVONGPENEH-CQSZACIVSA-N 510.540 5.353 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(F)cc(Br)c2)c1Br 2201071279 QIQYHVKDGLBOEM-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Cc1ccc(C)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397198 GMXFCOBMEDFDHD-CYBMUJFWSA-N 590.773 7.838 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2226834760 KIRSREGHKULNLK-XIDCRBKBSA-N 540.315 6.974 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)s1 2233010036 RGURSRIICIENLQ-CYBMUJFWSA-N 550.481 6.742 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Br 2267764912 YDNBDHYFMSPHMX-MRVPVSSYSA-N 576.732 7.966 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1scc(Br)c1Cl 2272723759 INTSTIPVCYMXPB-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1cccc(Br)c1 2288350319 YOFWYBZYRAYELT-VIFPVBQESA-N 533.830 6.931 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1Cl 2288496548 IIZXKROYROWAMD-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NCCCn1ccnc1 2296546049 JRDDVVOHUPZJQE-UHFFFAOYSA-N 563.061 6.082 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccccc1 2297551439 KPJJGNOZUVZTPP-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313570579 AEENAYIDQMYOKH-UHFFFAOYSA-N 532.254 8.153 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570977 KPHZJIVJMGOTKD-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2314476610 RQBOAHXEEFRYAJ-UHFFFAOYSA-N 572.669 6.062 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 2314531857 FJJJJLINWNJIOS-UHFFFAOYSA-N 556.203 6.102 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592871 DASQNCZNDRPOSV-HRFSGMKKSA-N 513.638 6.253 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)nc2c1 2331046527 NFLCAWIRUMKFJM-HKBQPEDESA-N 551.606 6.542 50 10 KKGE C[C@@H](C(O)=C(C#N)c1nc(C(C)(C)C)cs1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2331306040 BYNOEVOYNZVEBQ-ZETCQYMHSA-N 519.237 6.532 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 2331376001 CAFCGJPXHYFCGB-MWTRTKDXSA-N 501.608 5.939 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1C 2331382841 NPQCOLNOGCONFB-UHFFFAOYSA-N 514.072 6.205 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(Br)c1O 2331474800 LIPDVCFSWLINMO-UHFFFAOYSA-N 505.821 6.712 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336045842 ZMFCVKJUOAIEIF-NRFANRHFSA-N 543.068 7.722 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2scc(Cl)c2Cl)c1Br 2337085502 ZAFKWKLEXVUGQT-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE Fc1ccc(C(F)F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2363673686 PRFQEWXBISNYEX-VIFPVBQESA-N 513.398 7.441 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364228593 OKJWZEAJSBMJCC-VIFPVBQESA-N 531.868 5.509 50 10 KKGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CCC12CCC2 2377340450 RXPMGVPZVLILEN-CYBMUJFWSA-N 513.055 5.441 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 2381234915 QYPAHXLLKWUARY-LBPRGKRZSA-N 503.481 6.982 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1Br 14640740 RJSZKFWLIWTRAX-UHFFFAOYSA-N 504.425 5.222 50 10 KKGE CCC[C@H](Cl)CCC[C@H](Cl)CC[C@H](Cl)CC[C@H](Cl)CC[C@H](Cl)CCC[C@@H](Cl)CCC 17263618 QKUNKVYPGIOQNP-FMWSTDPOSA-N 545.334 10.912 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCC(C)C 38684198 LHPNIXOTGQXXEK-GDLZYMKVSA-N 528.605 5.549 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38686165 INSMDWBURCWHKK-PMERELPUSA-N 512.606 6.075 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38688743 GPPRPKFDKHHNRP-MHZLTWQESA-N 510.546 5.813 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1Cn1nc(C)c(Br)c1C 96438590 WUQZITXUBROOHS-NHDPSOOVSA-N 507.432 5.790 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100181840 HGLNWYIEZUCMDT-UHFFFAOYSA-N 570.509 5.256 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 100236148 MKALJBRRZSWSOZ-LCVHJTKWSA-N 585.451 5.098 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc2ccccc12 100238696 RYMOLJNXWWRVBY-AGNILJPQSA-N 566.698 6.909 50 10 KKGE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C(Br)Br)([C@@H]1Br)C3(C)C)C2 100922394 XFMHVMVMOANFLV-SGLLMYKQSA-N 581.187 5.202 50 10 KKGE O=C(CCCN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 101035513 QIKUVIWSVAVDJI-AQTBWJFISA-N 537.132 5.609 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245754 CPDCYNIJEYRLHB-UZEPBSNMSA-N 552.483 6.766 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 101246813 VOFMNINKOWMRST-XHFMHKHNSA-N 525.674 6.500 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 101334204 YMDVYOGMRVVMFO-ZIVDADNMSA-N 536.676 6.889 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(Br)c1 101363649 IDHAAPLDJQWTJK-OAQYLSRUSA-N 526.730 5.448 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101367935 ACJWDGFOQDGKDE-MHZLTWQESA-N 563.448 6.464 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101372234 NDMJWHWWOPKRFU-PRAQEBQASA-N 560.622 6.384 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101372359 OHIVMQABXUDKDT-XIFFEERXSA-N 570.686 6.980 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379567 PXGVAOXXQFNEIX-PMERELPUSA-N 617.883 6.884 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383776 BOOADBBCWFDTIA-XIFFEERXSA-N 578.640 7.411 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 101387574 AOBXNROLDCATQM-HKBQPEDESA-N 617.485 7.417 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1F 101388848 FWGMYPKQYSYKLG-JGCGQSQUSA-N 566.585 6.006 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)CC1 101399091 RSAHHPVREKYGBH-ORNRTLMXSA-N 580.725 7.703 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599725 PHHPBXALHCIJGW-STKMKYKTSA-N 592.877 7.519 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 101610288 BEBUGBULUFWURU-ROMHNNFLSA-N 534.656 7.228 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 102665916 BDBRMWRAOIDPAF-WBWFXSCKSA-N 540.048 5.899 50 10 KKGE CCn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nc2ccccc21 104768842 LTWHMJZWZMANMB-RDRPBHBLSA-N 551.510 6.420 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1csc(I)c1)OCCCO2 124419529 QEMGSNCKUFKSMD-AWEZNQCLSA-N 530.019 5.761 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411514 VOCQDBSOMHCHKA-DTNLCIQKSA-N 701.204 6.688 50 10 KKGE C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 195761668 SOGKSNZFDBFKCV-UHFFFAOYSA-N 889.860 8.621 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 214310738 KRSQQROXEUUWFW-QRQIAZFYSA-N 541.611 5.600 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccncc2)ccc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1 252627873 SDCWCBUTBBZSRG-UHFFFAOYSA-N 523.633 6.028 50 10 KKGE COc1cc(CCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc(OC)c1OC 254392645 VVECPDYAYFWXAS-UHFFFAOYSA-N 544.526 5.274 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccc(CSc2nc3ccccc3s2)cc1 254432113 GGLGXZNRJAXEDX-UHFFFAOYSA-N 594.765 8.963 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 254844060 SNANSWKAEUCQSI-UHFFFAOYSA-N 532.681 7.447 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019776 DGAALRJHQZSLAK-PXRWZLGFSA-N 883.930 8.869 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(I)c(Br)c1 383515799 GMDLJYDSHSLFNV-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232442 QYWAENWZQGVWKH-RAKQCNCJSA-N 691.460 7.202 50 10 KKGE in-vitro C[C@@H](/C=C/[C@@H](C)C(C)(C)O[C@H]1CCCCO1)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C 575232487 UOZXSNRXCCZFGF-FQNZSNAOSA-N 729.292 13.171 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616584272 AUHUBWQSDUBDNK-VUXRACJTSA-N 602.882 6.424 50 10 KKGE COc1cc([C@@H](Cl)c2scc(Br)c2Br)c(OC)cc1Br 705468055 YZBDFTWZBHUZFP-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE CC[C@H](C)c1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721574174 VOCGQJGBRFWDIE-GTNSWQLSSA-N 508.035 7.052 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 1083889058 YJDCZFOENPUTAW-XMMPIXPASA-N 525.443 5.699 50 10 KKGE N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084020871 DXXHIMNCTPXXRE-IZZDOVSWSA-N 577.003 5.809 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1084108671 ZDWJKLDGAWVVAG-UHFFFAOYSA-N 542.227 6.056 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 1084196948 CVZKWEQHNUAPIV-XMMPIXPASA-N 545.861 6.044 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl 1084255204 VXLUJIUJRQBVCW-UHFFFAOYSA-N 513.775 6.200 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084257319 CEHHMOTZEDYSLY-UHFFFAOYSA-N 579.520 5.198 50 10 KKGE CSc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1084296178 UVZQWGOGFSIHSU-UHFFFAOYSA-N 508.235 5.616 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1084334542 IKKJILVTIKCKQZ-UHFFFAOYSA-N 715.972 8.438 50 10 KKGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1 1084604157 XQKALSVVJJXKOV-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(Br)c1 1772755432 HKDSDUQGLSRNJQ-UHFFFAOYSA-N 602.367 7.397 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 1772760444 NGALQPHKRIYTLE-UHFFFAOYSA-N 532.474 6.433 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865696002 WFFRENYLPLIVLH-SANMLTNESA-N 527.024 6.419 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865697649 YRKSJGRAJDZCJB-OAQYLSRUSA-N 578.294 6.189 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699291 PPWONDWETCYDFE-VWLOTQADSA-N 507.981 5.911 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865701757 DRKAHMIIHNOZFB-MHZLTWQESA-N 505.622 5.671 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705397 URYHKADPJPNMNN-NDEPHWFRSA-N 524.580 6.036 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1 1865705760 FBLLCPZLMBQQLA-GOSISDBHSA-N 503.868 5.347 50 10 KKGE CC[C@@H](NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867209089 NNDDBAGDPZICRS-PZJWPPBQSA-N 518.477 5.694 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1)CC3 1868414172 JXWRZEAHDVSPFJ-UHFFFAOYSA-N 521.049 7.665 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc(OCC)c1OCC 1872757790 WKFLCJIXXICTCX-QJOMJCCJSA-N 501.004 6.618 50 10 KKGE COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)c(OC)c2)c2ccccc2)sc(/C(C)=C/C#N)c1C 1873427175 JBLXKSNESXVLMU-HYRKGBBPSA-N 502.592 5.967 50 10 KKGE CC(C)(SC[C@@H]1C[C@H]1Br)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1877465200 OBHMHTYKPMFPLW-LVXYXVKQSA-N 504.446 5.274 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 1901652945 ISRVYAAIIPQCEO-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923065926 JEZZMNJNBFLTHX-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Fc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924586220 VMJFKYOSYKKXPT-MRVPVSSYSA-N 521.869 6.853 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1924604545 DIMZNNCVAFIUOW-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE CC1(C)CC(C)([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615428 ATFOADAPPUAKIF-MRVPVSSYSA-N 509.927 7.298 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)c(Br)s2)nn(C)c1Br 2002828096 HTQAMYSXILHURD-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE CCn1c(-c2ccccc2)c(C(=O)C(C#N)=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c2ccccc21 2053578065 XDTLQTWFWLTVGD-UHFFFAOYSA-N 531.597 6.967 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cn(C)nc2Br)c1Br 2083334057 LDSLDLYGPHZPMX-LLVKDONJSA-N 501.842 5.500 50 10 KKGE Cl[C@@H](C[C@H]1C[C@H]2C[C@H]2C1)c1c(Br)c(Br)cc(Br)c1Br 2141469315 UOZOABLSVJKWKH-SDCKUUTBSA-N 536.327 7.453 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470431 GYHKEGVYXQYOIG-MJNATDKSSA-N 580.778 7.465 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccsc2Br)c(C)c1Br 2220152351 HBQMSWRSVMRTDU-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)nc2Br)c(C)c1Br 2227362655 PCSOWLQIZHXVAU-JTQLQIEISA-N 516.857 5.204 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1Cl 2232529072 VYEAKXNCCFYTSE-AWEZNQCLSA-N 548.871 7.462 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235606952 XTTYYKYHIGQJSA-INIZCTEOSA-N 525.904 7.384 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)cc1C 2236011561 SNIXKHCZQLVISK-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2273335036 SHRNDWXKTZOLQC-IYCUSSIYSA-N 580.778 7.753 50 10 KKGE Cc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277965847 NXKBIMVETQVIDB-CQSZACIVSA-N 511.877 6.961 50 10 KKGE Fc1cc(Br)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277966115 QILHWCCWHGLMPW-CQSZACIVSA-N 515.840 6.792 50 10 KKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2285673910 DYSXHNGOANLKPE-OXOINMOOSA-N 604.747 7.854 50 10 KKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2289305867 MFIRBZGXXPQIJQ-BHKQTNGVSA-N 596.777 6.988 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293198331 VBTKEAZJMGCWOW-QFIPXVFZSA-N 591.289 6.960 50 10 KKGE Cc1ccc(OCCOCCOc2ccc(C=C(C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2)cc1 2296567561 OPLPYXYGMYUVFV-UHFFFAOYSA-N 526.618 5.637 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834366 BUMLMCHNHNMUHF-JOCHJYFZSA-N 583.305 6.277 50 10 KKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)c(I)c1 2301084032 OFZYMOMWSKOBLN-JTQLQIEISA-N 557.391 6.234 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1C 2313511049 KZDJIFXMCBHKMP-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1 2313545815 HUFUHWGBKWCVKK-UHFFFAOYSA-N 613.581 7.903 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567703 MUXVSVKHUMCHMJ-UHFFFAOYSA-N 646.298 6.028 50 10 KKGE N#CC(=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313738652 MTJJYGCULLKBNT-UHFFFAOYSA-N 502.741 6.680 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 2313738871 VJLOOBURRADPNP-UHFFFAOYSA-N 505.914 5.720 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 2314414647 HRDZOGCMAGLPMT-UHFFFAOYSA-N 531.637 6.765 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2314442346 FMYNSAOXLQDDFO-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2314454650 IACIYDLLCRQQHS-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499415 CHXPMGFUKOIERC-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592172 NEKOXQRFXYZHAJ-RUZDIDTESA-N 551.590 6.478 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592424 SYSWMADOUUUSKF-XMMPIXPASA-N 504.011 5.722 50 10 KKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314610885 NTQFZRNCEIDZBK-UHFFFAOYSA-N 507.030 6.490 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 2314620941 WPLYRJRXZGCOAX-UHFFFAOYSA-N 536.538 5.619 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cnsc1Br 2317411883 YZMAQYAJPXKMKK-MRVPVSSYSA-N 522.857 6.362 50 10 KKGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 2328796566 ADRPWZZUQYHSJB-NRFANRHFSA-N 504.027 5.317 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331239074 NEMLONQLEFMELT-DEOSSOPVSA-N 511.628 6.174 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)c1 2331246729 QEWDBZINUNXCJF-UHFFFAOYSA-N 517.610 7.278 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1 2331305297 NMWFKONQNRMOPJ-UHFFFAOYSA-N 517.401 5.947 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 2331305358 UKUDUWDFCKKUBA-UHFFFAOYSA-N 508.559 5.350 50 10 KKGE Clc1ccc(COc2ccc(Br)cc2CBr)cc1I 2337269685 BZLGQCCZBPSEMJ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1c(Cl)cc(Br)cc1Cl 2343796112 FZMXTVBRLYKHJE-AWEZNQCLSA-N 501.657 5.249 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362241214 UXEXTCXLBXFSSY-LBPRGKRZSA-N 556.797 7.076 50 10 KKGE C[C@](CI)(OCc1cc(Br)cc(Br)c1)c1ccccc1 2362248153 PUWDIIHRDDUCHI-MRXNPFEDSA-N 510.007 6.079 50 10 KKGE COc1cccc(OCc2ccc(I)c(Br)c2)c1CBr 2377284646 CFJFGFOFGZHIBJ-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(C)nc3ccc(Br)cc23)cc1COc1ccc(F)cc1F 2945945 YQMSNJLCZKOFSB-VVEOGCPPSA-N 540.364 5.935 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1OC 3286719 WKCRJTTZUJSZJQ-PDGQHHTCSA-N 527.362 5.262 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9873404 LCFPZUGEPYPZIB-RTWAWAEBSA-N 515.654 5.978 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 14645695 AYMIAPKOKWLGSA-UHFFFAOYSA-N 524.415 5.201 50 10 KKGE CC(C)(C)c1cc([C@H](Nc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 33353178 MMTLSVMPCGRALM-WJOKGBTCSA-N 511.646 8.112 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38650836 CCKHGQVGRMVLRG-HKBQPEDESA-N 504.586 6.385 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38684516 GTQKFTFZHISEPZ-DEOSSOPVSA-N 503.352 5.451 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCCCC)ccc21 38686213 GFCZCXJKFMXFSZ-PMERELPUSA-N 526.633 6.872 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 58832855 DLKOBNWURBXIBV-LPYMAVHISA-N 523.589 6.877 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1 58895074 NLCYPOIJUGOJIK-VGBOAXCZSA-N 507.030 6.010 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1 59335295 HGOUHZOMXDZTDS-ODLFYWEKSA-N 512.322 5.863 50 10 KKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1O 59516454 KWOHZJGDCNMVKW-RPPGKUMJSA-N 517.302 5.204 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(Br)cc2Cl)c1 66201454 VVZFGFAZSNWTEO-UHFFFAOYSA-N 511.844 5.131 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100190710 TYTHWOJCFSGUDW-UHFFFAOYSA-N 554.510 5.342 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034369 RTXCGYJDVPJNLJ-UDWIEESQSA-N 540.000 6.652 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242879 WCBSVFJFVABLPB-GIRXHADGSA-N 523.702 6.676 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246228 HWWHPXDMVOTKRS-UZEPBSNMSA-N 501.583 5.598 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101293620 KBJUMCTYNSDOFZ-WJOKGBTCSA-N 599.470 7.575 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101335555 HTKNHDSYQUCALV-TURZUDJPSA-N 538.648 5.593 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101338035 MSQWVKUHLWKOEY-OVVQPSECSA-N 529.556 5.282 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340416 BIPSUQBUIKIWIO-JVWAILMASA-N 518.548 5.479 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 101368042 HNIPBKVEYHOEJH-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 101373967 NLQLJSQETLQIEH-PMERELPUSA-N 542.632 6.084 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380250 QSTDPNMGZXJOOK-LDZJGQMDSA-N 552.989 6.895 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101380416 XVHBBNCHMLQQPH-GDLZYMKVSA-N 605.449 7.548 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)cc5)ccc43)c2)cc1 101381976 GHZFKDLKIIFXCP-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1F 101386560 XTMPALGLRQQJHL-LJAQVGFWSA-N 601.428 6.613 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 101395303 DJOVESOCYYOFEJ-MHZLTWQESA-N 534.996 5.973 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OCc2ccccc2)c1C 102924572 LGDOFMAWJODYNU-RCCKNPSSSA-N 529.643 6.690 50 10 KKGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc2c3c(cccc13)CC2 103748637 UVDKFJOPFQVZHQ-QXUDOOCXSA-N 563.679 5.587 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 103887346 GDAIIYFCUGLCJX-QRVIBDJDSA-N 576.288 7.798 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1 103887856 GHOXAIUWXIGPAA-GRSHGNNSSA-N 542.348 5.872 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1ccc2ccccc2c1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 150363523 LZUPRBQLBPIWNV-DZIIMSDASA-N 630.169 8.387 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 150497565 XYTFQLNGVJXPFS-FDAWAROLSA-N 655.110 7.293 50 10 KKGE CO[C@]1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC 196507137 RSCYVRLLTJPYTP-KMKAFXEASA-N 572.622 5.761 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 205664397 WQVQSISCYBLUJV-IZRHXNIQSA-N 574.652 7.539 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214353153 YSLKMUQSVIPVMT-IMRQLAEWSA-N 520.633 6.051 50 10 KKGE Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)c([P@]3(=O)Oc4ccccc4-c4ccccc43)c2)cc1 219126977 GVODIMVJNQEQMO-DIPNUNPCSA-N 506.498 6.724 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 232482656 NYZOITXAKRYLBZ-CYBMUJFWSA-N 562.719 7.221 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 235817011 RYUAQIQITNZJJX-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 254289810 KBPDMKSPYJTDJO-OAQYLSRUSA-N 536.661 5.678 50 10 KKGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC 254290100 UXYWJDIHIPYTIH-UHFFFAOYSA-N 515.610 5.059 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1c(O)ccc2ccccc12 254734620 SJOGJQDEBKMPPE-UHFFFAOYSA-N 509.609 7.375 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)=C\c1ccccc1 254816167 KFORXRHLBYSSTJ-ONRRICDVSA-N 514.676 5.624 50 10 KKGE COc1ccc(C(=O)NN=C(C)c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(C(C)=NNC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 254873294 BMCQBEXQNOHVID-TYHGNQNSSA-N 652.704 5.169 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccccc1Br 389463442 YVKYNEPOHVNUMX-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]1O 575232545 ZGCNMHQDCCSXMS-HINAJXRGSA-N 663.406 6.422 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)OCCl 616576605 HAKLHBNFZXCEPO-UUOWRZLLSA-N 529.033 5.280 50 10 KKGE CCn1c2cc(P(c3ccccc3)c3ccccc3)ccc2c2ccc(P(c3ccccc3)c3ccccc3)cc21 642813912 FLVZFZDUNNXKNI-UHFFFAOYSA-N 563.621 7.331 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 725415888 YTPWNGCORFXUKS-JOCHJYFZSA-N 627.704 6.250 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1083902767 WLOHPGZJLBAUOD-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083948572 QIEISKQNBYGEMG-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12 1084025676 FROAZFLTSMHTJU-UHFFFAOYSA-N 669.974 6.873 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084109935 UDFAVXJSPRKKGQ-XTVRUMMYSA-N 562.135 7.205 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084179232 XLARVWKRDWTVQN-RUZDIDTESA-N 511.416 5.391 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c2ccccc2cc2ccccc12 1084266733 NFEZVECVWYWEEM-HXUWFJFHSA-N 646.558 6.618 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084394813 GPRBMEMADYAZOM-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE COc1ccccc1C=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084532438 SNNHATJVMQZVOJ-UHFFFAOYSA-N 548.064 5.816 50 10 KKGE CCOc1cc(C=NNC(=O)CSCc2cccc(Br)c2)ccc1OCc1cccc(Cl)c1 1084626059 FKZZFEXXLVVKGU-UHFFFAOYSA-N 547.902 6.464 50 10 KKGE CCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665383 DCIQOWDTOXIBKI-OSJXPWDQSA-N 505.227 9.347 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865688262 OBQCFONDYAAZKC-AREMUKBSSA-N 549.428 6.682 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688421 RQAHLIJOIDFUDP-MHZLTWQESA-N 527.024 5.936 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865689266 OFDNPRKNSREVEW-HNNXBMFYSA-N 576.156 5.893 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865689267 OFDNPRKNSREVEW-OAHLLOKOSA-N 576.156 5.893 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689362 QKONHEUHNXZLFP-JOCHJYFZSA-N 579.838 5.896 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OCC 1865690825 BYLRJMRYDKPKIJ-SSEXGKCCSA-N 536.676 7.164 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865691468 SOXHNLZWDWMILL-PMERELPUSA-N 564.686 6.630 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692187 KJPHSRILUDFSPR-HHHXNRCGSA-N 552.631 5.468 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3cc(C)ccc3C)cc2)cc1 1865692373 FESPMQNXSOIIPW-AREMUKBSSA-N 544.577 6.673 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865695466 CZDAIPVZSCVSOD-GDLZYMKVSA-N 534.660 7.034 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695906 AMUJRALDQFXIQP-SANMLTNESA-N 543.023 6.215 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865696507 OMGKHDPVSPWBOT-JOCHJYFZSA-N 530.522 5.885 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1865701460 WCKUUBFROSWPAO-HHHXNRCGSA-N 547.442 6.352 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865709248 RUJONJUKWBBEQY-JOCHJYFZSA-N 527.378 5.307 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714767 PUWFMLUMWNHZRW-QHCPKHFHSA-N 531.385 5.727 50 10 KKGE CC[C@](C)(NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931207 AZJSHEQNLVKNIC-PMERELPUSA-N 524.646 6.037 50 10 KKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C 1868433712 QCTPXUZTCUODLL-RTBURBONSA-N 509.079 5.659 50 10 KKGE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868434085 XLFYVXOKTIGGLN-VWLOTQADSA-N 502.047 6.597 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(Br)c(OC)c1OC 1872747181 QSOAOFUUYDEZDK-JXAWBTAJSA-N 518.345 5.456 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1 1872753351 SXBZLRSASQNRMG-RWEWTDSWSA-N 511.087 8.465 50 10 KKGE Cl[C@@H](c1scc(Br)c1Br)c1c(Br)sc(Br)c1Br 1924612798 NUUWEJXLABJHCT-ZCFIWIBFSA-N 609.222 7.950 50 10 KKGE CCCC[Sn](CCCC)(CCCC)c1cccc(N2CCSSCC2)n1 1983943023 OVASUWMRCMVYOD-UHFFFAOYSA-N 501.394 6.339 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)S(=O)(=O)c1ccc(Br)cc1 2053587455 KXLOYSNYUBBJGU-UHFFFAOYSA-N 538.173 5.718 50 10 KKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470404 GTRLWTGFGUQWJU-OPVBNTEQSA-N 582.794 7.855 50 10 KKGE CC(C)CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141472068 ZJBMQVAMBJDXEN-CYBMUJFWSA-N 538.343 7.843 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141475349 MAWOQNBPONJRTC-VXGBXAGGSA-N 586.738 5.978 50 10 KKGE CC(C)CO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 2165550917 GOTHUZZOSFJLRN-JIMOISOXSA-N 540.994 5.349 50 10 KKGE COc1ccc(Oc2cc(Br)cc(F)c2CBr)cc1I 2170693513 KMBXAKYQZZWZNR-UHFFFAOYSA-N 515.942 5.889 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)c(Cl)s3)c2O1 2172558740 AGAHOEMMWXPZJF-PWCHPLFNSA-N 501.465 6.734 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1ccc(Br)cc1Br 2213773028 ILQVFYAPYDRBCJ-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1I 2217863276 BSBMELRAIYJVOR-LLVKDONJSA-N 564.906 6.979 50 10 KKGE Fc1ccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222472504 PDPNOFCRUXNZPY-MRVPVSSYSA-N 521.869 6.853 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224319305 DVVHOUOZWJTBND-JTQLQIEISA-N 528.318 8.026 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2nn(C)nc2Br)c1Br 2226971955 JCSZYCDPBPHQLF-JTQLQIEISA-N 516.857 5.204 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2229149082 VUXWTMFLZBFTHR-ZETCQYMHSA-N 572.769 8.021 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)c(C)c1Br 2235610546 RLCOOQXNPUCVAV-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2267983825 JPNIEESEADLNGO-LBPRGKRZSA-N 536.258 7.251 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2270961511 QGAJIFXWIHXGRE-SNVBAGLBSA-N 528.318 7.979 50 10 KKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1I 2277958024 ZRPNDWUQINAOQU-AWEZNQCLSA-N 558.877 6.803 50 10 KKGE Brc1cc2sc([C@H](Br)c3cc(I)ccc3Br)cc2s1 2278103884 WHWQDDGFAQUTDI-CYBMUJFWSA-N 592.941 7.577 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2296640551 GWCJPYWLOGXDOJ-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2296854743 STXUEXBIIWLYLK-GOSISDBHSA-N 553.423 5.170 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@@H](C)C2 2297459864 LASHIZPSJTZSFC-OAHLLOKOSA-N 505.552 5.763 50 10 KKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc1OCC 2313518952 CZKDOQZFNQDCQJ-UHFFFAOYSA-N 510.759 5.678 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 2314414591 FDVOCRUEHPYUKI-UHFFFAOYSA-N 540.623 7.063 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2314476042 HTJHUAMJJPZRPA-UHFFFAOYSA-N 504.011 6.320 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314616829 KPLFHZPYEAIHIR-XMMPIXPASA-N 675.767 5.481 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618128 HQRPMTQXWFTHAG-VWLOTQADSA-N 556.666 6.990 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314620837 VTAPIAPGWVWZMQ-UHFFFAOYSA-N 512.993 5.763 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737258 UVHVISRHRXMKSG-UHFFFAOYSA-N 521.573 5.220 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331255904 IPEDYBHSPNKPNT-HXUWFJFHSA-N 501.608 5.785 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccccc1C 2331468496 RGFKHXTVZZXMGR-UHFFFAOYSA-N 508.687 8.394 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2333303945 ZSOACAHFTVKDHN-IMIVBSTGSA-N 580.778 7.753 50 10 KKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336612548 GLFWZFPVNWCHSU-PWSUYJOCSA-N 592.736 7.854 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)n(C)n1 2339681262 GAKAZVBTQSAXPC-JTQLQIEISA-N 519.832 5.639 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362219977 CCQMDDOFYWEUDW-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Fc1ccc(C(F)F)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2363672968 JAJZCALBDZROFG-QMMMGPOBSA-N 557.849 7.597 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2364115334 VVMFVAQVHRRJKZ-JTQLQIEISA-N 515.947 7.163 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(I)ccc2Br)c1 2366877077 RMMMLRSJDNNXBR-HNNXBMFYSA-N 504.420 7.273 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 935113 KRHGHBLDTJFTJX-SCIJIFGBSA-N 567.396 5.561 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C3/C(=O)Nc4ccc(Br)cc43)cc2)cc1 13980274 SHXAHMDJRMVQFR-UHFFFAOYSA-N 519.399 5.085 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14033030 NVTBQFRFQNTHQH-UHFFFAOYSA-N 526.486 5.447 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38660297 SQUXUCSRIWZVOM-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1nc2ccccc2s1 58832828 IELCUUOKEMGYIQ-MTJSOVHGSA-N 507.615 7.996 50 10 KKGE COc1ccc(/C(C)=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(OC)c1 100061974 HOGWYVWMAFKQMJ-DHRITJCHSA-N 536.220 5.301 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 100231944 RQEHKQKJHMAXRH-GXZQEHIMSA-N 556.413 5.299 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 100327145 UBTVTXHRJFNNCJ-HVXFLFEHSA-N 566.279 6.307 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1Br)[C@@H]2Br 100935450 LNLXXUMEJFPTAZ-XPGWFJOJSA-N 609.978 7.194 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc3cc(Cl)c(Cl)cc3nc12 100944231 IDHKQDDCFNUXNW-RPWUZVMVSA-N 538.262 6.034 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245309 RSAZBSOEMAXQTB-OMBWOSJFSA-N 536.484 6.984 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246231 LUEFTDRCHKAMQU-IDJUBOEBSA-N 518.038 6.112 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 101339694 IXURFPMWTCNRGB-UXHLAJHPSA-N 600.675 6.548 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362365 MYPFAMVRYIOGRG-PMERELPUSA-N 549.539 5.376 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367376 BGOGDXAVZKFOPB-JGCGQSQUSA-N 564.594 5.485 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 101372390 IXRWRGBHTDYIGO-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101375041 XSBLEYCGNWBLTD-JGCGQSQUSA-N 570.686 7.126 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380316 YXFRHLUMVBQVIQ-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385073 QIODUMLTGVDDTE-PMERELPUSA-N 557.433 6.939 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101388914 WOGJPBDTSUZXSM-SSEXGKCCSA-N 581.556 6.149 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101392711 VINKWARTRXHLKK-VWLOTQADSA-N 547.032 6.708 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101393115 YYEPLCGNJKJRGB-HHHXNRCGSA-N 534.996 5.973 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101394703 WYASJAUSTSJFDQ-SANMLTNESA-N 559.416 6.730 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 101399361 CNFXUFFIUWMUBH-SSEXGKCCSA-N 603.458 7.027 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc(Br)c1O 101767006 FHHXLPJCMGGQIW-ZMOGYAJESA-N 528.241 5.188 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1 103890539 XJAGTXBYBXEHGP-WQRHYEAKSA-N 593.248 7.121 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1Br 105426150 KVTGHPMCOMTCQF-QXUDOOCXSA-N 578.466 7.198 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)sc1Br 115161554 MRNZSFNQUCQMEZ-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2OC(=O)c2ccco2)cc1 150429016 YALWAOVOBOQHNF-IZNYQWHQSA-N 646.454 5.157 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 150478031 MALYUPSZNRMVGP-WJOKGBTCSA-N 649.958 8.842 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 198740826 QSZBEKKCVLWOLK-XODNFHPESA-N 557.235 5.697 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 206734452 PRHNRTFIJRJHBU-QNGOZBTKSA-N 502.567 5.184 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 214121022 JUHAOHJRZIHKIP-ACHIHNKUSA-N 654.899 9.823 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254377834 IQBFWEPYQGIOEP-UHFFFAOYSA-N 524.702 7.464 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Br 254506650 WRSJMXWDIALJAE-VWLOTQADSA-N 569.455 6.133 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(C)n1-c1ccc2c(c1)OCO2 254590064 RCNQUIYCAKADDZ-UHFFFAOYSA-N 535.629 6.454 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254592365 GYIWDFJVJFTXLI-UHFFFAOYSA-N 504.561 6.754 50 10 KKGE O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(C=NNC(=O)CNc2ccc3ccccc3c2)cc1 254758934 KEJKBIQFCOPOQI-UHFFFAOYSA-N 528.616 5.117 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 254836402 GOOXWDXAIGMCNQ-HXPHWGRRSA-N 635.935 6.853 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](O)(CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 306147461 ZAYSEZBMOHYFQA-IORIVCICSA-N 924.727 19.065 50 10 KKGE Brc1cc([C@@H](Br)c2sccc2I)c(Br)s1 306640446 PPMOECRKPJIPEQ-SSDOTTSWSA-N 542.881 6.424 50 10 KKGE C[C@@H]1[C@H](O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504214943 DFPBBOCDGYBNBR-QGBOMFSWSA-N 550.689 5.419 50 10 KKGE Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616587736 SEPRHMCKFLNBBO-TVZGACTOSA-N 779.948 7.444 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCN4CCCCC4)cc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616589800 LCGCTFBLCJOHMA-PARUTCTQSA-N 890.093 8.077 50 10 KKGE CC(C)(C)OC(=O)NCCN1CC[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616590241 YOMSMHISDIMYNI-RUZDIDTESA-N 510.795 7.118 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1scc(Br)c1Br 705464242 MTUCHLZLFZOYOM-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 725422354 UNVXLPIFJCPZAT-GDLZYMKVSA-N 516.041 6.290 50 10 KKGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1083875133 YWXJRBWHFJRYBG-UHFFFAOYSA-N 519.464 6.565 50 10 KKGE Cc1cc(C)c(NC(=O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1 1084003592 HTUXPDPOMAAHRA-UHFFFAOYSA-N 522.443 5.822 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C 1084042236 WTURMTYDHSCMOO-UHFFFAOYSA-N 556.732 6.180 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1 1084131251 NLCCYBATJWNREL-UHFFFAOYSA-N 563.123 5.440 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084402152 XJIULFOXWMCJKN-UHFFFAOYSA-N 551.974 5.269 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084539601 HQNOVNIZUYOJRD-UHFFFAOYSA-N 672.086 7.044 50 10 KKGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1OC 1084642588 WKJUFTQXTBBNOF-UHFFFAOYSA-N 533.806 5.471 50 10 KKGE C=CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718786 PEADOGOBISYCDP-WUEDDTFJSA-N 536.868 6.162 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cccc(Br)c1 1865684204 NHEZTIJQUVPAHH-INIZCTEOSA-N 509.713 5.584 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865689451 SGIPGCJOKHKBKF-VWLOTQADSA-N 512.997 6.208 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865691594 VZTSQSWAEMSUPE-JOCHJYFZSA-N 527.394 5.157 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865692599 NSDLRJFDQGDGIN-XMMPIXPASA-N 569.475 6.191 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865694234 RLVXBAPFSRYGBV-HHHXNRCGSA-N 506.606 5.922 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700791 DLLXYMLAHBOQLP-SANMLTNESA-N 531.443 6.598 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700872 GKZLYAYZKSJSDU-NRFANRHFSA-N 572.301 5.950 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704307 SFDTWHGYRFPBII-WJOKGBTCSA-N 561.085 7.488 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704810 FIHSRBUKVBRQKR-MUUNZHRXSA-N 536.632 5.948 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)c1OCc1cccc(C)c1 1865704918 HXQKPTYPOGXLAO-HHHXNRCGSA-N 527.024 6.007 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709072 MXUMGQSRBSFBNT-DEOSSOPVSA-N 517.416 6.635 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)OCCOc2ccccc2)c1C 1866130158 DMTBJFAACQCXAG-HMMYKYKNSA-N 564.616 5.032 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(Cc3cccnc3)c3cccc(C)c3)n2)c1 1868504950 BEOGZTCHUAQAIT-UHFFFAOYSA-N 530.657 7.511 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)n2)cc1 1868545171 TXLZQIGNICPDGL-NDEPHWFRSA-N 552.679 6.574 50 10 KKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 1872744128 VYRCRYFOGVWVIY-RFBIWTDZSA-N 505.599 6.679 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)ccc1F 1872750013 SHRJSJMBJYKMQP-SILNSSARSA-N 507.812 7.325 50 10 KKGE CC[C@@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924596482 PBDQMTCNOFVBNL-ONGXEEELSA-N 531.933 7.665 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CC[C@H]2C3)c1Br 2025779200 DNTAZSIFHLUBJC-WQAUNQLMSA-N 552.724 6.973 50 10 KKGE N#CC(C(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)=C1Nc2ccccc2S1 2053614863 NLJAENLQVKKIPQ-UHFFFAOYSA-N 542.414 6.343 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(CSc2nc3ccccc3s2)cs1 2053622937 WFJMZSYYBHLTRQ-UHFFFAOYSA-N 533.707 7.962 50 10 KKGE CCO[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492485 LZUNAWDFNFXGCL-XIGBOZDYSA-N 526.288 6.442 50 10 KKGE CCCC[C@@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496803 STKQNMUYANAGLY-FUXBKTLASA-N 526.332 7.843 50 10 KKGE CC[C@@H](C(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500483 OMDQKUMKRLDLMO-WRWORJQWSA-N 570.783 7.855 50 10 KKGE CCC[C@@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121068198 MMMLTUSDCGEAJW-SNVBAGLBSA-N 519.406 5.477 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3csc(Br)c3Br)c2O1 2150345368 JRTJSLWMVDGZPT-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE Cc1c(F)cccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395047 LGKBXHDKJZOPAD-CQSZACIVSA-N 550.285 7.512 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(C2CCC2)C1 2206395120 LUPXFWDOKNGJTC-GKHYQBCPSA-N 550.354 7.843 50 10 KKGE CSc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206397547 KMYLTFWUNMRJNA-GFCCVEGCSA-N 608.813 7.943 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cscc1Br 2213491685 HPALDHAZPBPMFI-LLVKDONJSA-N 507.842 6.659 50 10 KKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2217676821 SPIRMUGDBJSBDM-RPDRRWSUSA-N 535.843 7.060 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2I)c1C 2218788017 BDSYORDBXXZOMT-LLVKDONJSA-N 564.906 6.979 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)c(C)c1Br 2227349290 QXBCYDGLSRFGEZ-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(C)c(I)c2)c(Br)c1 2232832600 DMVYIBPMWFTNQP-INIZCTEOSA-N 510.007 6.245 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(Br)s2)c1 2252781913 ZLZBQVAGVFGMEC-SNVBAGLBSA-N 503.879 6.714 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277888569 KMAFNKGDEFYANN-GFCCVEGCSA-N 531.933 7.277 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295342801 PPRBPGYLSPKSFO-GFCCVEGCSA-N 505.834 7.289 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c1 2296848687 UKFBTUPFEWZXKK-UHFFFAOYSA-N 539.686 6.244 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299489824 SRYVGXHYIQTCDF-KRWDZBQOSA-N 551.525 7.990 50 10 KKGE Cc1scc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 2303644970 XBJLMQZFBWRGRJ-ZETCQYMHSA-N 544.353 7.543 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2313304949 IFESOMWPOCJYMN-XBURVNOZSA-N 521.938 7.442 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1 2313568801 YURFRQWZKWLWAY-UHFFFAOYSA-N 532.438 5.292 50 10 KKGE C=CCN1C(=O)C(=Cc2ccc(OC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397451 ODXORKIZEJGVMY-UHFFFAOYSA-N 526.829 5.224 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314449442 QFEMFWZNSHFBTM-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314591739 CPFDRSSXPDSYNF-DEOSSOPVSA-N 536.484 6.984 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314616731 ILUKDXFSMUHAHC-UHFFFAOYSA-N 510.565 5.904 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643116 CEKNKDPSESCDQD-DIPNUNPCSA-N 614.742 8.107 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 2314643306 PPUKJMHULLMMIN-JGCGQSQUSA-N 548.570 6.250 50 10 KKGE FC1(F)C[C@]1(CBr)COc1c(I)cc(I)cc1I 2326813333 BXXXUXATRNMFPF-JTQLQIEISA-N 654.796 5.300 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)nc(O)c2cc1OC 2331044401 CRVPZCGMAZYKNX-PMERELPUSA-N 553.622 6.772 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331351204 ZOIANAGRFOLJKZ-AWEZNQCLSA-N 503.451 7.683 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 2331362236 LXVPECWYYZXWSE-LJQANCHMSA-N 517.607 5.458 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(Br)c1O 2331464366 GQTJJMHAGWBCHK-UHFFFAOYSA-N 519.420 7.533 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)s1 2364072885 YDWDVOZPWANDRS-VIFPVBQESA-N 507.473 5.634 50 10 KKGE CCCC(CBr)(CCC)COCc1cc(I)ccc1Br 2367270366 DLLKZBKRYABUOQ-UHFFFAOYSA-N 518.071 6.552 50 10 KKGE C[C@H](Br)CN(C(=O)c1ccc(Br)cc1I)C1CCCC1 2368845736 FYOXBSBKMDCXDD-JTQLQIEISA-N 515.027 5.222 50 10 KKGE CCOc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2322516 KSNZDNXMLBNALV-GUNDDFSMSA-N 504.011 5.804 50 10 KKGE O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669718 BFWDKQHRZVLDRB-UHFFFAOYSA-N 519.395 5.064 50 10 KKGE N#C/C(=C/c1ccc(OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 33470801 DBRBIETXUHQILF-JMIUGGIZSA-N 511.515 5.773 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)cc1 38651315 XOSANUOFHNSKBM-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1 38660041 LOWVTZYUGTXGGK-HKBQPEDESA-N 518.569 5.640 50 10 KKGE Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4)o3)s2)cc1 97385911 WLDPHNVNFSQQID-UNOMPAQXSA-N 510.984 5.351 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1O 100063606 HJMSIRHGHBGYJC-YQYKVWLJSA-N 548.064 5.904 50 10 KKGE CC(C)(C)c1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100074460 HZBOJZHKXAMSRD-VUTHCHCSSA-N 556.526 5.130 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1 100080019 KRQMJMIXVBSVSW-UHFFFAOYSA-N 559.475 5.049 50 10 KKGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100251980 UHRJTKNIULCNLO-AWEZNQCLSA-N 609.340 5.257 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 100452559 VDHFNVXYLLKRNW-OADPBGPJSA-N 580.704 6.408 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244721 GNQIWCXAQLERHE-GOHCDNDPSA-N 538.456 6.457 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245326 KQZUOTCDQIEAEK-RAMZYJDASA-N 536.484 6.984 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)C1=O 101332823 BKUGXTCARQODGZ-HYARGMPZSA-N 500.986 5.594 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101338831 YRYTXDZGFIKHQW-PCLIKHOPSA-N 541.449 6.227 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 101339360 JOJYSAWJAHJVKS-WPWMEQJKSA-N 566.654 5.825 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101340094 RZFZDRFQNNAFLJ-DHRITJCHSA-N 577.464 6.772 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101341278 QMADRPPGPKJUSE-OGLMXYFKSA-N 552.631 5.120 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCCCC)c(OC)c2)cc1 101375443 DBMGFGBURGYZDN-YTTGMZPUSA-N 568.670 7.047 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379771 IVKDOTGKRGMULT-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381432 SKLSLZWQHORAMM-HKBQPEDESA-N 530.624 7.000 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383197 UOPKOMFGPQKKOE-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389669 OUYJFVPFOAIKTO-DHUJRADRSA-N 608.666 7.129 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101390655 PBWHULOZACJTFN-RUZDIDTESA-N 545.389 6.340 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101390865 DSMIPGTVDZSJMA-HHHXNRCGSA-N 573.443 7.120 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1N 101531804 BSUAKXOUBXEQSR-UHFFFAOYSA-N 547.586 7.471 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Cl)c1 101727590 PRUCTAQLHJJGSP-AMVVHIIESA-N 572.539 7.337 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(\CNC(=O)c2ccccc2F)c2ccccc2)C1 102093202 ATCWOVOMABUULK-ZIBPCXBESA-N 522.665 5.065 50 10 KKGE CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc(NC(=O)[C@H](Cl)C(=O)C(C)(C)C)c1 103529700 AYUXXOYJHBOGHL-MUUNZHRXSA-N 585.295 8.388 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Cl)cc1 150389396 DPWLTURXXVLPRP-UYKANAEJSA-N 657.146 5.577 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433099 VLBHHOIFZIKUKC-UUWRZZSWSA-N 645.539 7.736 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1I 150600600 RISHIVDSHMLGNY-WZUFQYTHSA-N 623.572 5.402 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 164720383 ZQVDXBUXUXMKJN-IUXPMGMMSA-N 642.118 7.794 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 164723560 UVDSTEQTTHNGJF-NVMNQCDNSA-N 665.225 6.237 50 10 KKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 198739410 WOOWHKLXEFSLQQ-CVKSISIWSA-N 550.862 5.456 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 205665247 UXGKEQYPHABODP-JSSWAHKUSA-N 514.581 6.411 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 214233965 NUPXRBCRGSIKDB-ITYLOYPMSA-N 510.663 6.434 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 214406941 ZEKLNPZZJJPADD-YSMPRRRNSA-N 550.565 6.009 50 10 KKGE CCOc1ccc(C)cc1[C@@H](Br)c1cc(I)ccc1Br 233775678 VWMBYEHHLRQOGU-INIZCTEOSA-N 510.007 6.245 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2C)cc1 254630316 IJLCEVSTQGXNKU-UHFFFAOYSA-N 520.758 8.926 50 10 KKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)CI)CC[C@@]34C)[C@@H]12 254873701 DSPKLFAHUQYUBD-UQELMUHGSA-N 596.678 9.091 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCCc1ccccc1)[C@H]2Br 256022838 UZYRXXMLKXZVTG-KKXDTOCCSA-N 508.092 5.031 50 10 KKGE Fc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)c(I)c1 308409790 CIFWBSXMUVNTMR-HNNXBMFYSA-N 511.954 5.612 50 10 KKGE COc1ccc(Br)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382691229 MRSJIWGJKMOSBE-QAPCUYQASA-N 530.200 5.245 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616584262 AUHUBWQSDUBDNK-LFCBLZOASA-N 602.882 6.424 50 10 KKGE ClCc1nc2cc(Br)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705868650 CTTPNWUGELGYMD-UHFFFAOYSA-N 511.851 5.404 50 10 KKGE CN(C[C@@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)C(=O)NCc1ccc(F)cc1 725238798 PVXDIZRYQIMCCB-SANMLTNESA-N 552.071 6.834 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 725424894 SFMGBAUBCOOCPU-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 1083986879 JULYYXMSJQCNCK-UHFFFAOYSA-N 528.678 5.052 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccccc1Br 1084080116 RDYFBFCUKNYBCA-UHFFFAOYSA-N 538.239 6.708 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(Br)c2)cc1 1084116108 YPIDZXYYYUMBQW-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084194433 AOMACSJAHTXTBJ-DEOSSOPVSA-N 728.321 5.536 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084528083 NBTDYVVKZBJIOZ-JOCHJYFZSA-N 697.651 5.652 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1 1084578505 QEVTZHTWUATUMY-UHFFFAOYSA-N 651.105 6.792 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1614653104 FLSVDXHRVUEYES-MHRJKILUSA-N 539.701 6.341 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2)c1cccc(C)c1 1772743967 MSFUVRZNBIETSU-UHFFFAOYSA-N 508.416 5.796 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1OC 1772750176 WKHUDLPYIAOFLE-UHFFFAOYSA-N 574.461 5.120 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(Br)c1 1772755314 AMVFUFCENCEZMV-UHFFFAOYSA-N 594.333 7.215 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686480 WENDJRWNFFWHRV-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(Br)c1O 1865689349 QEAGYLLBMNRHIP-OAHLLOKOSA-N 541.711 5.239 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865690853 CPSZBPVNYUUYPI-QHCPKHFHSA-N 555.448 5.801 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865691685 YVERVKDOHVEKKX-MRXNPFEDSA-N 529.357 5.336 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865691738 ZWPZRMTVMAJQPU-HSZRJFAPSA-N 526.559 6.136 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 1865692764 HXAFIOJORFIIGN-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695110 KGUXVRBYUMJLJD-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696177 XXTZVRBMCFIBTK-NDEPHWFRSA-N 524.596 5.747 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701480 WMSUYNQTYHFRGT-AREMUKBSSA-N 517.416 6.344 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702032 KZENKIMVBMFVCJ-HSZRJFAPSA-N 522.914 5.896 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702800 FMGHNBPZIPVMNO-PMERELPUSA-N 552.650 6.527 50 10 KKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705066 LEMIZJZPJHZYII-HSZRJFAPSA-N 541.435 5.998 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711910 LEOHVHAJQNAWPQ-JGCGQSQUSA-N 546.630 7.490 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712182 RNVRCMRESPXHIZ-MUUNZHRXSA-N 575.466 7.099 50 10 KKGE Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866829963 RDAAWQOZYSILBA-RUZDIDTESA-N 509.635 5.257 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987561 AALYAVRCAJJKHL-DQEYMECFSA-N 508.018 5.912 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@H]3C3CCCCC3)nc(Cc3ccccc3)n2)cc1 1868207003 BZRJDQWXOMTDOI-PGUFJCEWSA-N 570.766 8.550 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1868342059 IYXXQJCQVFLJMP-HSZRJFAPSA-N 547.128 6.425 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5ccc(C)cc5nc43)n2)c1 1868506567 ZEVDGACXXIXZIX-UHFFFAOYSA-N 516.630 7.020 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)c(Cl)c1 1872728945 CSWKEBPRMFYOBW-CAOOACKPSA-N 513.333 6.325 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744812 JFJDDVHOOYMJBF-YSFPUWIGSA-N 514.390 5.749 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c(C)c1 1872748970 VGYSJFGVLBURPM-PNHLSOANSA-N 505.599 6.794 50 10 KKGE N#C/C(=C(/O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754005 YAADXJTYAKWCSM-SGEDCAFJSA-N 509.631 7.385 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2c(Br)cccc2Br)C1 1901794472 LNGDFMUOBACIRM-ZIAGYGMSSA-N 561.052 5.151 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915312305 XMICFZWNGHENRZ-LJQANCHMSA-N 504.104 6.633 50 10 KKGE C[C@@H]1[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568872 MWUIVVPFEAIHQX-UCZIYFJWSA-N 503.826 6.373 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595194 VXOQRXXRRZDQLC-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924616785 STXZJKGBIUSAHJ-AKEJEFCPSA-N 535.965 7.544 50 10 KKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951245293 HVOWWFINYLJFLV-VHTKCDHQSA-N 509.883 5.897 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1F)Cc1ccccc1 2009622937 XEAOZPNXPMLBCJ-UHFFFAOYSA-N 505.453 5.044 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCOC2)c1Br 2025779904 MXUYPYOMOXMHFA-SSDLBLMSSA-N 556.712 6.209 50 10 KKGE CCN(CC)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@H]12 2070736901 LQNXUCJZFHOSCM-FPUALCIBSA-N 510.707 5.739 50 10 KKGE COc1ccc([C@@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1 2080746819 JSJZIHJKTOOMLL-UYHPJTEGSA-N 501.632 5.595 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)oc1Br 2083334420 RVKZYQYUHIAUEU-GFCCVEGCSA-N 501.838 6.668 50 10 KKGE CC1(C)CC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498706 CJOUOQHMAGNMSW-QUBYGPBYSA-N 568.767 7.609 50 10 KKGE CC1(C)[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141473214 MNIFZZRKDSUSMG-VHSXEESVSA-N 590.720 7.464 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(Br)c(C)c2Br)s1 2215942991 NAJZFPPLDHUGSB-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2217867358 SNVQUOGAINCVLI-CQSZACIVSA-N 500.037 6.470 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1I 2225619618 LGFOYXNXKMUGHL-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE CC1(C)CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234058316 PNQZEFSSOVHBQJ-LJQANCHMSA-N 511.689 6.383 50 10 KKGE Cn1ncc([C@H](Br)c2cc3sc(Br)cc3s2)c1I 2263632027 UQHCBWKXVRIGMG-JTQLQIEISA-N 518.037 5.548 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1cc(Br)sc1Br 2285079663 LRYCFLQTXBKSDO-CYBMUJFWSA-N 503.481 6.989 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2288353364 JHPNBGJUSSTDIF-LBPRGKRZSA-N 554.248 7.343 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 2294168651 XXHZTKVVKQESIM-UHFFFAOYSA-N 694.263 6.117 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1 2296024837 OGYFWIGEQFQXKK-UHFFFAOYSA-N 503.421 7.224 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 2296453388 LBFNORYGGFZIBM-IGPVTZSXSA-N 530.910 8.734 50 10 KKGE CCCOc1c(I)cc(I)cc1C=C(C#N)c1nc2ccc(C)cc2[nH]1 2297320139 NMFFSEMNPCRLEG-UHFFFAOYSA-N 569.184 5.934 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1 2313631010 ZWIWBCRBDHKZNQ-UHFFFAOYSA-N 518.038 6.675 50 10 KKGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2314533992 VVBBBWSLNSCPKL-UHFFFAOYSA-N 507.333 5.348 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592615 YRDPXCDRAAVOEL-DEOSSOPVSA-N 556.009 7.041 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617663 PRYPHHGWCRJZHL-UHFFFAOYSA-N 569.448 6.647 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314618202 JDWJGETYUKZNFW-SSEXGKCCSA-N 605.094 6.543 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314619943 HNVGWOHCIGUQQW-UHFFFAOYSA-N 560.629 6.650 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314620336 NGVTYIDRSQOARY-UHFFFAOYSA-N 574.656 6.958 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1OC 2314793637 WDABMZXANBHTQQ-UHFFFAOYSA-N 555.450 6.226 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)NN=Cc2ccc3nccnc3c2)cc1 2321698235 UUCXDBYFAFPXMC-NRFANRHFSA-N 523.637 6.047 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360425878 GWNJGBBGPQJXGE-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(Cl)cc2I)c(Br)c1 2366730243 SXHPBSJTNVBLJA-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE CCOc1ccc(N/C(SCc2ccccc2C)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058823 QYBVNVWBJQSEFD-ZZIIXHQDSA-N 501.608 5.519 50 10 KKGE O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2cc(Br)ccc2o1 4779936 UDYQDUNHKCXSFR-UVHMKAGCSA-N 517.339 5.870 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc2ccccc2c1 12491325 FKAYLGDNJZLYSA-LGJNPRDNSA-N 512.201 6.047 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)c(=O)n(-c2ccccc2)n1C 29491586 QIRVOWKOLLGXCQ-RRAHZORUSA-N 624.676 6.601 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccc(Br)c2)[C@H]1c1cccc(Br)c1 33355138 SLCXWSRZDIKMAU-PKUYGVDJSA-N 589.331 6.873 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(F)cc2)cc1 33579575 UNHYASKLQJXFGV-GPSDDGMOSA-N 502.527 5.107 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)c1C 35395722 YNLZHKHISFUYLP-HMAPJEAMSA-N 519.623 5.509 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651714 HQLDRHKHVSODTH-FATZIPQQSA-N 509.331 5.179 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c(OC)c1 38657166 UYZRCKOJCJOPGI-NDEPHWFRSA-N 500.551 5.030 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 38686860 AYDSZMKOCNFCII-SSEXGKCCSA-N 522.532 5.607 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(F)c1 38700477 AMYBPDYYXMNXQA-FQEVSTJZSA-N 511.361 6.785 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701292 RMSRCFYWOVQCSR-SANMLTNESA-N 504.970 5.965 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(C)c1 59680433 QTIKITWLXIYDPO-RWPZCVJISA-N 507.384 6.245 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 100182155 GHTYFRBFKMTFKV-KRWDZBQOSA-N 558.498 5.130 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 100228198 MVKUVOYIKSEYMT-MPTKSEEOSA-N 558.416 5.233 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1 100235305 VPUBDSXPNUUQGS-LJIZRPCSSA-N 580.479 5.661 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCCCn1ccnc1 100883818 SLPMJLKLTMTGIK-LGUFXXKBSA-N 563.061 6.082 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065537 VPQHNNFVANROLB-OVVQPSECSA-N 592.231 5.678 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101339489 KNEBHRASYYBDJG-QXUDOOCXSA-N 608.673 7.358 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101367965 JSYKWMVKFAYIIG-SSEXGKCCSA-N 544.604 5.475 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 101378152 FEROLWHZFLXTEM-MUUNZHRXSA-N 527.577 6.381 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384270 OFQSRODIAYLJRC-WJOKGBTCSA-N 550.586 6.629 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101397717 ZPOZBYKGZLSREF-MUUNZHRXSA-N 583.040 7.710 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2c1 101398877 BXLURMDESYKKOP-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595558 VOBRHCZQUWEBSN-STKMKYKTSA-N 592.877 7.519 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601544 ZFHAKBWRQPSKCU-MTDXEUNCSA-N 533.799 5.093 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 101698005 FOQQPZOCNYVBSM-XSAQUTRMSA-N 540.616 5.643 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12 101706838 KMZXKDIURMKRST-YSMPRRRNSA-N 610.451 7.731 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)s1 102348036 AKYILAUIVSOMMW-PDGQHHTCSA-N 552.483 7.343 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 102391899 AKPGMVCBGRJSKP-PGMHBOJBSA-N 581.032 5.101 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc([N+](=O)[O-])c4)cc3[N+](=O)[O-])sc2c1 103806302 OGJSSDJODJJGLM-OKCVXOCRSA-N 612.649 6.589 50 10 KKGE CCOc1ccccc1N/C(SCc1ccc(C)cc1C)=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1 105423066 ZPKWKUKEQORDIG-GDWJVWIDSA-N 545.705 6.159 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2ccccc2)cc1 109557436 IOGBJUMKQBWGPC-QJOMJCCJSA-N 566.664 6.342 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430154 YOHLECCMZJCLJS-DHUJRADRSA-N 639.148 7.818 50 10 KKGE CCCOc1ccc([C@@H](Br)c2ccccc2I)cc1Br 229007893 SDIGWWCZXOETFB-MRXNPFEDSA-N 510.007 6.327 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccccc1[N+](=O)[O-] 252622120 NPGJYUZHGUQRGH-UHFFFAOYSA-N 510.535 5.351 50 10 KKGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)Oc2ccc(Br)cc2)cc1)c1ccc(C(=O)Oc2ccc(Br)cc2)cc1 253573365 RISHWPAFXBCRBL-UHFFFAOYSA-N 740.637 8.751 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254566996 QOZYLBUYBNJJHC-UHFFFAOYSA-N 626.838 9.837 50 10 KKGE C[C@H]1CCc2nc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)sc2C1 256019098 KUTHFCPFJXOZNN-BUDJLTQYSA-N 555.174 5.892 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1\C[C@H]3CC[C@@]1(C)[C@@]3(C)CBr)[C@@H](Br)C2=O 256020034 SNRXUXZNCDKRMT-JFZSIPBXSA-N 503.275 5.266 50 10 KKGE COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(N2CC[C@H](CO[Si](C)(C)C(C)(C)C)C2)nc1F 504649128 POKUJHAYXYKFDA-ICDZXHCJSA-N 527.757 5.457 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@H](C(=O)Nc2ccc(-n3cc(CNC(=O)CCCC[C@@H]4SC[C@H]5NC(=O)N[C@@H]54)nn3)cc2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 1082548611 DFYPXYLXXBRPOO-KYAXONROSA-N 927.617 6.228 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1083922019 JLDFHWMUSKCMET-UHFFFAOYSA-N 665.134 5.841 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1083946830 OEVBRYMMXXBAEF-UHFFFAOYSA-N 528.726 6.030 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1 1083956692 LCXHHLCACHSPHC-UDWIEESQSA-N 617.281 6.886 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084155497 YJGWPBLRGLGDAO-UHFFFAOYSA-N 611.642 5.947 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084363550 SUKDGIJLGNERAC-VWLOTQADSA-N 636.914 6.285 50 10 KKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 1084557382 YYCZNMSSKKAQMK-YVLHZVERSA-N 502.195 6.881 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1C 1772755225 VFZKGYNGEMORRF-UHFFFAOYSA-N 538.094 6.602 50 10 KKGE CC[C@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](Cl)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440195 FMJCESRGYYDTJI-KRVGZEDESA-N 719.476 8.807 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686254 SMHHXGKLBUHHQW-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688126 KDEKDHIDARAMFM-JGCGQSQUSA-N 568.677 7.352 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865688497 TZOBEPCBVSBPPU-XMMPIXPASA-N 512.491 6.424 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865693010 KONJLAOZSIQMDO-MHZLTWQESA-N 520.633 6.231 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694011 NZOQHZMAJDEMPH-VWLOTQADSA-N 531.443 6.912 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1O 1865696137 KFFBYBQZNOHDEM-QFIPXVFZSA-N 533.813 5.938 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700784 DIESSUTUIAYVTD-AREMUKBSSA-N 551.861 6.997 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701596 YZZHYERHRSVVLN-KRWDZBQOSA-N 550.638 5.537 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1C 1865703210 QBRSJOXJYXIQHT-PMERELPUSA-N 534.660 6.307 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)c1OCc1cccc(C)c1 1865704712 CHRBWCJTGJJIRK-HHHXNRCGSA-N 510.569 5.493 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 1865715050 UMGKTQXXIPIQQW-GOSISDBHSA-N 503.322 5.548 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867179136 UTWIWBUDPKPXDG-MHZLTWQESA-N 524.646 5.694 50 10 KKGE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867195591 CMZGVKMICXYLJH-XMMPIXPASA-N 527.444 5.452 50 10 KKGE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200733 MPJYFUYBPGGCJI-JOCHJYFZSA-N 545.068 6.037 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1 1868277878 LMEMLAOKKVGDHI-UHFFFAOYSA-N 532.077 5.131 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342200 NQAJTJCNTLYBIH-GDLZYMKVSA-N 521.690 7.252 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H](c2ccc(F)cc2)O1 1868434224 YJHWNZRSUPKFOG-IQGLISFBSA-N 532.044 7.219 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1C(C)C 1872753558 CSXQWWBSGAXERQ-LCUIJRPUSA-N 503.668 7.034 50 10 KKGE Clc1c(Br)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923055685 XICWQMYFSJDPPC-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2042446171 WSDRULFOPXMBPG-UHFFFAOYSA-N 547.533 6.701 50 10 KKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 2065537152 YIRUJBJIQCYSGV-FFWSUHOLSA-N 533.852 6.143 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2083332956 DLFMOXKVEJRDPZ-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE CCO[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492482 LZUNAWDFNFXGCL-MVISFBTESA-N 526.288 6.442 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)CC1CCC1 2123255345 WAXXNRIIUAGHOO-UHFFFAOYSA-N 505.247 5.474 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2141469217 SWWLKWIIOAFQOL-CWPPXLLWSA-N 580.778 7.609 50 10 KKGE CCCCCCCCCC[C@H](Cl)c1c(Br)sc(Br)c1Br 2164487481 MWBJNMQQMJCMAV-NSHDSACASA-N 509.573 8.846 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(Cl)c1Cl 2203433023 LEDOTZSBFALDTF-NSHDSACASA-N 503.843 7.011 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(F)cc(Br)cc2F)c1Br 2203688998 WSQFUKPFQMHOGF-AWEZNQCLSA-N 533.830 7.045 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2I)c(C)c1Cl 2224324300 UXMBAIFKAMNFHE-LLVKDONJSA-N 518.418 5.542 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)c(Cl)c1Cl 2232512239 SOGLLZPEBHZKGX-SNVBAGLBSA-N 542.707 8.310 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 2239610357 BSHOQQXZRZAOQA-SFHVURJKSA-N 501.327 5.673 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1I 2279047923 PKKRUSSAQIDXAF-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Br)cc1I 2288075870 QLGQDBQMZNUYJU-SNVBAGLBSA-N 517.043 5.325 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(I)c(Cl)c1 2288346664 ZWCVXPQTJICYFC-NSHDSACASA-N 601.248 7.232 50 10 KKGE COc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296506870 JEIQRXOVKBANRQ-QHCPKHFHSA-N 524.429 6.067 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccccc2)cc1 2296506980 OAUFOFXWQHPNLU-DEOSSOPVSA-N 565.573 5.947 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c1C 2297455639 GJFZUBQKRYAREP-UHFFFAOYSA-N 536.407 5.205 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 2313511181 SFPXFXQXCZULPW-UHFFFAOYSA-N 543.417 6.744 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521363 JAFXESXTXSDMNC-UHFFFAOYSA-N 556.800 6.534 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1 2313545950 RBBGXOFMXFMPEG-UHFFFAOYSA-N 613.883 5.788 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 2313631688 ULVNPAJTZAKUEE-UHFFFAOYSA-N 546.646 6.990 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)cc2)cc1 2314414824 NRGACVNLFNEAGN-UHFFFAOYSA-N 504.590 5.193 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 2314533446 QTNHNNHUZCUBGB-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592660 ZQCOTBSPXJQNMB-AREMUKBSSA-N 516.066 6.837 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314618685 RUCKOZLIZDFDLE-QFIPXVFZSA-N 524.580 6.639 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314620151 KOMFPJAFPJVYBR-UHFFFAOYSA-N 560.629 6.567 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)c(OCC)c1 2314790269 ZGZWHDPOTDCHRN-UHFFFAOYSA-N 507.583 5.608 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2sncc2Br)c1Br 2315439846 KCMYJJGQBOWTDN-QMMMGPOBSA-N 543.275 6.707 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)cc1 2331345462 MSZAAGWCSGIFDT-UHFFFAOYSA-N 502.636 7.437 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 2331364125 LEWRZMGPHKLGNL-SNVBAGLBSA-N 516.233 7.692 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335290527 QDNXLBFXENZQEN-VIFPVBQESA-N 512.851 6.907 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c1Br 2337111913 AVQKMRQTPRIRSK-MRVPVSSYSA-N 621.183 8.075 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(I)c(Br)c1 2365188313 JZPRROIJOINMTD-LBPRGKRZSA-N 641.736 7.511 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790723 XAVPTGIQKKLDFH-SCIJIFGBSA-N 538.854 6.167 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 2342214 ZHZVOJPFAFSIBF-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1OC 6167447 MLLJUDOAVRAYAZ-IDBQEEKWSA-N 621.756 6.161 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCC3CCCCC3)cc2)cc1 14029317 VOHCTNFWGHZIFK-UHFFFAOYSA-N 508.688 5.232 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)cc1 38659569 HPIWBAAJPXXALX-MHZLTWQESA-N 500.551 5.320 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)c(Br)c1 40812754 OXRHNZZIHVQWFE-TURZUDJPSA-N 514.807 6.035 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815484 OOLPCRNIJFEISE-ROMHNNFLSA-N 519.645 6.952 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1Cl 59427673 JVJDSRKDRAVKBN-UZWMFBFFSA-N 520.976 7.137 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nnc4n3CCCCC4)ccc21 97994689 BHHVRMXFSLDBBX-CLCOLTQESA-N 523.644 7.049 50 10 KKGE CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100129877 JUTLGVNVVMVHAG-LJQANCHMSA-N 550.247 5.057 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCC(C)C)c(Br)c3)cc2)c1 100181970 SOTJLWXRWAPTLY-UHFFFAOYSA-N 597.535 5.384 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207552 CMVOJABFFZMLQA-UHFFFAOYSA-N 598.563 5.979 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(I)c2)cc1 100237890 MYPHXSFIZJWQGC-WVVPCBRLSA-N 558.416 5.233 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1 100312281 KCONIMCPSLNVJW-TZMKENEKSA-N 537.454 5.729 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)cc1 101012499 YSZLQTPPZDPMDL-ITYLOYPMSA-N 524.649 8.101 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@@H](CC)C2 101193828 WIIKPIMOLIXLPR-WDMNMGCXSA-N 553.478 7.008 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101295953 QPQHLRHPGUACNT-RUZDIDTESA-N 529.017 6.865 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383340 GGAZQKUBCGZWRX-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101387787 YMHRWACUIINWGV-XIFFEERXSA-N 607.619 6.084 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388626 FQWRSAXKCYXUCJ-UMSFTDKQSA-N 625.121 7.790 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c1 101388679 JVWVVYOWAFWUAP-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OCC 101395729 KEMZCIBLBRRFEU-MVGOESIASA-N 560.735 7.774 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)c1 101396832 INZBDFCNFQUQDX-MUUNZHRXSA-N 581.496 7.789 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101396854 NWDGBKHBEHHGPK-MUUNZHRXSA-N 543.019 7.319 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399663 TWEUCDHPFZGIOM-XIFFEERXSA-N 621.089 8.118 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599577 OGNBEHYGRBEYSM-INKHBPHZSA-N 568.427 6.579 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612067 ARRQSNVZNAJIOD-WEMUVCOSSA-N 536.415 6.536 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 103741926 BOYUMPXIAMZUMF-JWVZJPBISA-N 579.700 7.048 50 10 KKGE CCC(CC)=NNC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 103749388 PWXUQMIVQCVYQF-UHFFFAOYSA-N 572.525 6.067 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)cc1 103877313 IHBKWBGEYFFGLO-FNTLCPBMSA-N 590.123 8.186 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 103877861 ANQZUALQRGJDHI-SEBMTOOBSA-N 557.097 8.181 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103879086 MCXXXVHUERJGJL-KKMKTNMSSA-N 603.223 6.218 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 104953554 BKJGZADPTRSTCN-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 107184357 XHVOFIUMCFELPN-AFUMVMLFSA-N 544.526 8.414 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150483234 OKWVOPNCXBBVHM-NDEPHWFRSA-N 642.322 8.325 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1OCC 150485753 HRONLAACBNVHQW-IBHGWEPSSA-N 649.810 6.941 50 10 KKGE CC(C)(C)[C@H](O[Si](C)(C)C)[C@@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195808147 GDTAMHMNSCTYMM-UZNNEEJFSA-N 546.791 8.249 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214256880 LORGSVFGRBKHHD-FIOJILPZSA-N 508.622 6.027 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 214303992 KLQIOZYVQYTSKW-CEUNXORHSA-N 530.628 6.100 50 10 KKGE FC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[c-]2[cH-][cH-][cH-][cH-]2)cc(C(F)(F)F)c1 221669106 YTYOFBZUYWSKQT-UHFFFAOYSA-N 521.261 7.239 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 252590623 ATVUPRSENPSJTL-YTRDPWFASA-N 512.997 5.186 50 10 KKGE Cc1cccc(C=NNC(=O)c2cc(-c3ccncc3)nc3c2c(C)nn3-c2ccccc2C(F)(F)F)c1 254422270 ZWLICDZPMKHHLD-UHFFFAOYSA-N 514.511 5.882 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1 254624091 XWUMIWMWGGJZCP-UHFFFAOYSA-N 591.686 5.291 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254700281 NHNVRRIYMDHJLV-UHFFFAOYSA-N 526.589 6.019 50 10 KKGE CCOC(=O)C1=c2sc(=Cc3cccc(Oc4ccccc4)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1 254800058 DONZCOSUQYBLMX-WJOKGBTCSA-N 613.695 5.485 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254839871 NDKPLFYTOMIFCO-UHFFFAOYSA-N 511.695 6.598 50 10 KKGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)CC3)CC[C@@]1(C(Br)Br)[C@H]2Br 256018966 CMPZMVHCCCRHQS-IMAIMIIYSA-N 859.956 7.029 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 263629155 YSEYGTQRCRMCHV-LJQANCHMSA-N 534.248 6.071 50 10 KKGE CC(C)C(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn([C@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@@H](CO[P@@](=O)(Cl)N(C)C)O3)c2n1 616587701 RXKFVIDODWLSLB-DKFCRMGLSA-N 899.389 9.875 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1C=NNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 1081162799 NOWYOFIYNIVRBL-JOCHJYFZSA-N 572.064 5.361 50 10 KKGE COO[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C 1082196223 JTHRMRSGAYIIMN-MHQJBMFKSA-N 598.645 5.323 50 10 KKGE Cc1c(/C=C(/C#N)c2nc3ccccc3s2)c(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1CC(C)C 1082888756 TXQLKPSKEWQSJE-VOKWCDJLSA-N 519.699 8.109 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)cc1 1083982145 WJXVGWDPAHLZJR-CIAFOILYSA-N 538.385 6.041 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1OC 1084001106 RHZDYUNATDSLQA-UHFFFAOYSA-N 595.121 5.419 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1 1084024388 SBIOHJUMBHHCBM-CXUHLZMHSA-N 555.210 5.027 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084090545 PKALCKIUSHVQSX-UHFFFAOYSA-N 610.092 5.318 50 10 KKGE CCOc1cc(C=NNC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OCC)c2)ccc1OCc1ccccc1 1084235395 SWEOBHLAALGWSQ-UHFFFAOYSA-N 608.695 5.633 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084344561 RLYTUQNROLMEJO-UHFFFAOYSA-N 539.032 5.232 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 1084363982 SFXBHUOUAMPARL-UHFFFAOYSA-N 501.011 6.191 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 1084443156 GRZKQYWDCNHNDZ-QFIPXVFZSA-N 623.285 5.605 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084471209 RGQMRHZDXWFNKQ-HSZRJFAPSA-N 511.962 5.190 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(C)cc3)CCC4)ccc21 1772745353 YRGAMEICXYFEOO-UHFFFAOYSA-N 518.617 6.747 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1O 1865682412 NVSDMFWCKCTZLO-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865687743 ZGIIXPXBVWUEDF-WJOKGBTCSA-N 578.713 7.020 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865688041 HIRCOZZEGCCWKB-XMMPIXPASA-N 513.425 5.952 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865691991 GXXXFCUPNFOUAP-QHCPKHFHSA-N 557.876 6.392 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695712 ROJUDJCLGLJSRN-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700988 IVDKZJQRVZLLRY-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705587 ZQIRWUKUSBTRNT-NDEPHWFRSA-N 559.025 6.689 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707206 QODMKDIVMYSSAO-MUUNZHRXSA-N 507.613 5.878 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711085 PKBDROKQJMJHLE-QFIPXVFZSA-N 507.352 6.212 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(OC)c1O 1865715201 YYKWSSHDGDSFRQ-QHCPKHFHSA-N 514.969 5.193 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866658795 CPRIKLZRZZJHCN-RUZDIDTESA-N 532.572 5.410 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866977011 KHRFHNWIKAKYSR-DQEYMECFSA-N 536.495 6.128 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CCS2)cc1 1868505232 DIENOYGRSBADFC-AREMUKBSSA-N 541.702 6.772 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)cc1 1868528233 QKGBHJCSLBGNPE-SANMLTNESA-N 542.709 6.277 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)CC2=O)cc1 1872755691 AFYDOOLZQCAOPN-DSWYMIRZSA-N 513.707 7.604 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OC)c1OC 1872755699 APHWGTUJWLRXOA-XDOYNYLZSA-N 521.639 5.665 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1924593609 GJYDUJYOURQHOD-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE FC(F)Oc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924601743 NUFMMZZRVULKPO-MRVPVSSYSA-N 555.858 7.121 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012763 POHNLKHHAZMWED-ZIDOBEJLSA-N 644.617 10.491 50 10 KKGE CN([C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1)[S@@](=O)C(C)(C)C 2080780944 OXKQVVRQBFJWJZ-ZMEFLVBSSA-N 619.836 9.027 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)ccc2I)c1Br 2138848029 CKHSIHJXICPOON-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(I)ccc2Br)c1Br 2138852949 UYNOHRYLUJVGEA-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE Cl[C@@H](c1ccccc1OCc1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2141470233 ZNWPLSHPWPVIOM-FQEVSTJZSA-N 624.392 8.644 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1c(I)cc(Cl)cc1I 2173616867 XESKZUOLESOQNF-AXTGTSHSSA-N 581.457 6.270 50 10 KKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2185101129 WBMIAHLYLMKCCY-YPMHNXCESA-N 515.027 5.078 50 10 KKGE Clc1cc(Cl)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399195 DIDOBNVODIMWPV-LLVKDONJSA-N 631.609 8.528 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2(CC3CC3)CCC2)c1Br 2206401574 YBLMBEDWFSPHRJ-AWEZNQCLSA-N 594.805 8.143 50 10 KKGE CCCCCc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2207263649 ZIHVHSFNFJGAMH-INIZCTEOSA-N 528.091 7.332 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)s1 2224788449 JXNYCPOGFOSHKC-JTQLQIEISA-N 509.510 7.009 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509094 ICKCEDBZZMRWFZ-NSHDSACASA-N 589.707 8.152 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1sccc1I 2252836693 FSKQYRYRVIMUJS-JTQLQIEISA-N 506.428 6.400 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2264609193 IREKMJVFVKBRJT-SECBINFHSA-N 509.872 7.073 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cccc2I)c(F)c1Br 2267737836 MDQWSZYBZAUIRI-LLVKDONJSA-N 505.897 5.955 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2288373458 JDAQIUOEKDRPNT-SNVBAGLBSA-N 537.822 5.779 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 2294193442 PQGQUTLZDWTERX-UHFFFAOYSA-N 509.609 7.756 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cccc(I)c2)cc1Br 2295431594 YEQYEKQAXVYKHO-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1 2296506792 FNEXYJVYQFLUPB-XMMPIXPASA-N 522.457 6.675 50 10 KKGE Cc1ccc(C)c(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1 2296649532 FZTNSNQBOTUCLA-MUUNZHRXSA-N 608.163 7.851 50 10 KKGE CC(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NNC(=O)c1ccc(Br)cc1 2297635610 ZRTYEVHTWJUMSZ-UHFFFAOYSA-N 601.157 6.253 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1sc(Cl)cc1I 2300955067 GWMSKMXZQKFTNU-SNVBAGLBSA-N 557.391 6.234 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Br)cc1 2313571061 MJIPLCPQPPLIQP-UHFFFAOYSA-N 658.117 7.494 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314453564 XUJORHHNHZJMEO-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592127 MGYULIWKJNDLGF-SANMLTNESA-N 550.511 7.490 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618352 LUNFCANRPYCXQH-NRFANRHFSA-N 559.582 5.810 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 2331345464 MUPOEWFUZVBSEA-QFIPXVFZSA-N 504.696 8.543 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCc1ccc(C)cc1 2331474555 SATWTETYFXCDTQ-UHFFFAOYSA-N 517.050 7.741 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335356576 SBOUPJWNLHCEFQ-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE COc1ccc(C[C@H](Br)c2sc(Br)cc2Br)c(Br)c1 2338831328 LWIQYOVWGSNETA-JTQLQIEISA-N 533.905 6.723 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2354882588 LNFSNZAXUKURHB-QFOLPQNPSA-N 549.992 8.078 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c(F)c1F 2361193759 CCZIJZGVYPACNO-KRWDZBQOSA-N 504.115 7.069 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)c1Br 2362248127 AHZAHDHSFBIYJC-LBPRGKRZSA-N 617.703 7.699 50 10 KKGE Clc1ccc([C@@H](CI)OCc2ccc(Cl)cc2I)cc1 2365644626 GJTLTPIJCXPFFD-OAHLLOKOSA-N 532.974 6.291 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790657 QZFNRQYYTCSLSI-GPSDDGMOSA-N 508.430 6.367 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 29492344 CPOXJGZKAIDLAS-IAULFNNHSA-N 513.557 6.496 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C(C)(C)C)C3)cc1 33596172 WQMFRABIWBEDOV-OYQOIYBLSA-N 508.684 6.800 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651666 WPPHLFMRXFJCLU-XMMPIXPASA-N 505.368 5.269 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 38679337 ZLERNRVBESVHSC-LJAQVGFWSA-N 514.578 5.303 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2cc(Cl)ccc2Cl)c2cc(Br)ccc21 40846233 DRUSLDVFPCLHGL-QOMWVZHYSA-N 513.219 5.192 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cccc(C)c1 40947780 YJWCMAFCRBPQAT-LQKURTRISA-N 518.664 5.734 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1ccc(Br)cc1 41013089 JUVZOTIKPOEGOO-LFIBNONCSA-N 515.816 6.472 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3F)cc2Br)cc1 100233429 JFOVZSQDUNCJRA-APTYXWLQSA-N 573.459 5.929 50 10 KKGE N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]1c1ccc(-c2ccccc2Cl)o1 100879050 SXQSZXDOGTXURA-ACRUOGEOSA-N 540.826 5.445 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244547 CJJLJHUENDDPPV-IEQIIXMPSA-N 546.490 6.637 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101334953 KJIGGWMDASNBTE-WPWMEQJKSA-N 546.602 6.260 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101337085 WYWVTQKNDLBGFT-RPFADYPDSA-N 570.649 5.890 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc(C)c1Cl 101370349 RUEUBUQGJQGFGV-XMMPIXPASA-N 539.813 5.922 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 101374026 AEDIPPKRKIZABI-WJOKGBTCSA-N 534.612 6.855 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379050 GGEBFFYLIZJJKG-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382727 OLVIERPQOPCPIL-VWKOYRGQSA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383199 UOPKOMFGPQKKOE-PMERELPUSA-N 607.877 7.428 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCCC(C)C 101395878 JDMXJELLQAVSTO-HKBQPEDESA-N 566.654 7.311 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101396394 ROKHELDKKJIPTH-MUUNZHRXSA-N 581.496 7.644 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612352 GFLHQSRKGGGDOK-NJZRLIGZSA-N 537.399 6.503 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 102348168 GTWFQPPRUOQKCQ-ZDLGFXPLSA-N 536.350 6.498 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C)c1 103797089 JSXZNSULRJGBHY-XODNFHPESA-N 527.802 6.509 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)c1 103877132 CATVAPKBXWBDEQ-UVHMKAGCSA-N 589.227 6.451 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)cc1Br 128735994 GTKAXDIMTBJWCS-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1Br 130499803 SWAKYBWGMAUPOM-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400465 GAMNXVXEYMVDAJ-LIXHWFRBSA-N 875.999 7.761 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 150430399 FVGMRMXHELFXFM-ZZJXEYPFSA-N 702.302 5.977 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433026 GINWTBLWFZBDFW-XIFFEERXSA-N 665.957 8.136 50 10 KKGE CCC1(CC)[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 155253722 MVCJVPIELFEPML-NWDGAFQWSA-N 616.446 6.065 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 197644888 DVIDLRUNTQFCCI-YBFXNURJSA-N 605.226 7.004 50 10 KKGE ClCCC[Si](O[Si](CCCCl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 205971074 NEMHQJBVJGDOOA-UHFFFAOYSA-N 535.663 5.781 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(C)cc3)cc2OC)cc1 254396099 JIPGFQPSYNYKSL-UHFFFAOYSA-N 622.678 5.743 50 10 KKGE O=C(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 254791419 JJAJFKSAPSLAHC-UHFFFAOYSA-N 676.824 10.836 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccccc3O)c2-c2ccccc2)cc1 254871830 BUMQLYILYAAQCG-UHFFFAOYSA-N 529.596 6.458 50 10 KKGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254872403 MKGZDTVHYPWLEM-UHFFFAOYSA-N 534.568 5.383 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]n1 263632396 IFMPMFNZLAADQE-UHFFFAOYSA-N 512.658 5.944 50 10 KKGE ClCc1ccc(Cl)cc1Oc1c(I)cc(Cl)cc1I 311534883 WWNVADWWGCZOON-UHFFFAOYSA-N 539.365 6.734 50 10 KKGE Cn1ncc([C@H](Br)c2ccc(Br)c3ccccc23)c1I 379145553 CPQBOAOLCMQMKY-CQSZACIVSA-N 505.979 5.425 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCN4CCCCC4)cc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616589810 LCGCTFBLCJOHMA-ZSXFNOLCSA-N 890.093 8.077 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1scc(Br)c1Br 705409276 MGHNHAPZMHLHCA-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 725440400 WCTILKSSOMUARC-HHHXNRCGSA-N 520.601 5.504 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccc(Cl)cc1Cl 1084023617 CRCOZFQKPXQBLY-UHFFFAOYSA-N 683.330 5.826 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1 1084077698 KLVSYEGZOGFBQX-UHFFFAOYSA-N 523.475 5.070 50 10 KKGE C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 1084538193 SUSSYYIKALTCMY-LVSMMTLPSA-N 525.472 5.090 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 1772752716 HTEDDOVWBBLQSA-SFHVURJKSA-N 521.639 5.793 50 10 KKGE Cc1ccccc1COc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772754915 UKWAWXYOBAVXMO-UHFFFAOYSA-N 508.068 6.593 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686008 QAVSHGITOACJJV-HSZRJFAPSA-N 555.824 6.924 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865686811 BNBRGVSXPJHYSB-NDEPHWFRSA-N 536.632 6.344 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865688702 YQGSAMJFXRIFCJ-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865691776 ASCBLGMKQWUFBC-JOCHJYFZSA-N 557.876 6.256 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865693472 WFIKGAXTOVSKPJ-JOCHJYFZSA-N 541.421 5.411 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865694854 DERFWRXUWSIXDD-HHHXNRCGSA-N 506.606 6.074 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865695639 FLSDWKVUTXGEJG-SSEXGKCCSA-N 548.687 7.093 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696386 FJLGDOIOVHSFLF-MGBGTMOVSA-N 570.693 7.216 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700853 GBELIMOWZCHUKZ-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1c(Cl)cccc1Cl 1865702622 CDRYKMCSRGHARN-AREMUKBSSA-N 548.430 6.078 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865703397 VCXGCAVYSHLXOL-SANMLTNESA-N 560.576 6.455 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccccc1 1865705597 ZURPQWIQOZBZJQ-LJAQVGFWSA-N 572.596 6.183 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1OCc1cccc(C)c1 1865705866 HWOLQRFHFKJQAE-AREMUKBSSA-N 574.603 6.681 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706606 AGTJKMHSPQQVJA-RUZDIDTESA-N 528.996 5.496 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(C(=O)O)cc1 1865709500 WPAHLKKSQVGEQO-NRFANRHFSA-N 513.351 5.218 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711952 LXWPSKPZRGKKFH-RUZDIDTESA-N 527.422 5.994 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866130314 NXRVTHLPWPNBMC-SFQUDFHCSA-N 555.450 6.089 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1 1867143429 MBJPMIWWQIFCGV-YTMVLYRLSA-N 570.512 7.040 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867183403 MPNSJUNCKQRPOM-LJAQVGFWSA-N 584.767 6.946 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2snc3ccccc23)cc1 1867268413 GMKXBKLEXXSXJF-JOCHJYFZSA-N 504.662 5.540 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872818168 PRUASRONOVDSIC-CYVLTUHYSA-N 511.775 7.156 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915297469 HNECLMDKXAWZHD-SFHVURJKSA-N 520.636 6.007 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924595232 WNMSYDDCQXIUAX-XRGYYRRGSA-N 501.487 5.283 50 10 KKGE CC(C)(C(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611650 DHWWDILHDDKSRA-YFKPBYRVSA-N 505.842 6.763 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(I)c1 1925586616 BDGYWKFHCLFLLL-MRVPVSSYSA-N 500.385 6.889 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1cccc(Br)c1Br 1943904060 UPBCAXCEGJWOON-JTQLQIEISA-N 524.297 7.126 50 10 KKGE CCCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2015636951 CZPKMFNTICYHKR-VIFPVBQESA-N 509.927 7.442 50 10 KKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccccc1 2053639437 WXGVJDYFAPACQO-UHFFFAOYSA-N 505.393 6.741 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccccc2I)c1Br 2083317094 CGQXTHNHPQUFJM-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(Br)c1 2083318696 RTLJTEOBGUIURW-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE F[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494210 KNPSUCPOGJJVMX-IJESPZCISA-N 528.279 7.155 50 10 KKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Br)(C1)C(C)(C)O2 2121886553 VRGLHGSRXCKRBS-MWBRBAFOSA-N 537.937 6.819 50 10 KKGE Fc1cc(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 2122801195 LOKBRGVHUWWDIW-VIFPVBQESA-N 515.826 7.295 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)c1Br 2138867722 YKDCWJHNVATVKQ-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2C[C@@H]3C[C@H]3C2)c1Br 2141474545 BPTFGWNSQMCDAV-IWSPIJDZSA-N 580.778 7.609 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1ccc(Br)cc1Br 2148680758 FISOFOJCPOGXCV-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(Br)ccc1I 2163744923 CEWJVTKWVDLDBP-GHMZBOCLSA-N 515.027 5.127 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1cc(Br)ccc1Br 2175148155 VORUNTZOIRGXIY-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Cl 2201609058 UIUKTVDKQPMKGP-NSHDSACASA-N 554.248 7.390 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 2202902805 VZGXZJAEVRKQKB-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(C)c1I 2206571150 TZEOVJVTPFQYBK-CQSZACIVSA-N 510.007 6.163 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1sccc1Br 2213492554 QFGGWNVUPJLHFM-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2235604828 PFRDJCQBCUDOIM-OAHLLOKOSA-N 532.416 6.900 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2nn(C)c(Cl)c2Br)c(C)c1Br 2235605038 QAHOINUBWBLIHW-NSHDSACASA-N 505.863 6.306 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2Br)c(C)c1Br 2235605780 UOOTVRXQGWHFNS-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCC23CCC3)c1Br 2247325218 BCXLYCDUTRMSSC-SVRRBLITSA-N 507.911 7.052 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2sccc2I)c1 2252837242 MEKHDGVKDZTEEJ-SNVBAGLBSA-N 550.879 6.556 50 10 KKGE CN(Cc1ccc(I)cc1)c1cc(Br)cc(F)c1CBr 2280336035 PIDBVRVTHQIXGC-UHFFFAOYSA-N 512.986 5.724 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc2c(cc1Br)OCC2 2282787213 NWDFZBBJSZPNKG-OAHLLOKOSA-N 511.954 5.612 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349364 OVGZJNHWQOZGSR-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2293497300 QHAAUNVONBWPGF-UHFFFAOYSA-N 504.015 5.504 50 10 KKGE O=C(NN=Cc1cc(N=Nc2ccccc2Cl)ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482959 IFCZQIYQKPAEAQ-UHFFFAOYSA-N 567.989 6.111 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl 2313567952 QIIKJYPVWFTCRW-UHFFFAOYSA-N 532.471 6.557 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 2314476234 LGTZTCXCOGMORE-UHFFFAOYSA-N 607.157 6.096 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 2314488102 IWYUDRGODYBCGV-UHFFFAOYSA-N 585.641 7.160 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500603 PIDKDIYZGMANLJ-SFHVURJKSA-N 529.070 6.317 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592092 LSVLCNKKCUFYLS-LJAQVGFWSA-N 539.701 7.007 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1OC 2314754309 PCBMPJBAWHAEQZ-UHFFFAOYSA-N 560.716 7.668 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2320223133 AJRMQBRCIWVTEN-LKEWCRSYSA-N 523.954 7.544 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311805 AHFDGLIKSQOZSI-ASSNKEHSSA-N 512.418 6.620 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OC)c1OC 2331364527 INGINMBOZULNCM-UHFFFAOYSA-N 507.612 5.292 50 10 KKGE Cc1csc(C(C#N)=C(O)CCCOc2c(Br)cc(C(C)(C)C)cc2Br)n1 2331399718 PYLMHYBZPUZXKU-UHFFFAOYSA-N 514.283 6.926 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334327259 LHSKWPQARKMHTO-MOEZTCPLSA-N 580.778 7.609 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCCC2)c1cc(Br)sc1Br 2369623172 DHJNNKRKHMRJDT-ZDUSSCGKSA-N 501.465 6.689 50 10 KKGE ClCc1nc2cc(I)ccc2n1Cc1sc(Cl)cc1Br 2369940801 GHHZILUZCGMYNR-UHFFFAOYSA-N 502.002 5.905 50 10 KKGE Fc1ccc([C@H](CI)OCc2cc(I)ccc2Cl)cc1 2380353669 OCKQNWDOAVGGMM-HNNXBMFYSA-N 516.519 5.777 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 38686671 AUUGVKVURQBRGC-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c(C)c1Cl 40950712 DMKMPENPWUDRRD-UVHMKAGCSA-N 501.808 5.827 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97915152 WUIBNRWCODDFPN-GDLZYMKVSA-N 517.154 7.094 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212709 LFIMGLGDDVCRBS-UHFFFAOYSA-N 604.526 5.452 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232743 SGPWWRPZSBXIBY-VCHYOVAHSA-N 546.248 7.279 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 100452110 SKKBYZHNLGYTNB-MGCJZSHXSA-N 580.704 6.408 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246653 AZVGXNGTIWKCMI-HMFVREHESA-N 554.455 6.076 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101333022 KMPZAJUCHFKOTH-WPWMEQJKSA-N 522.649 6.275 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C1=O 101333544 CDLSUJTVOAXMRA-MWAVMZGNSA-N 550.703 7.199 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101360367 WTTTVXWDSXYUKW-FQEVSTJZSA-N 612.724 8.280 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)ccc1Cl 101363581 HSCXWGFIPDWFDO-XMMPIXPASA-N 525.786 5.614 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1 101367576 ZQUGUCVOIUVPBM-PSXMRANNSA-N 594.667 7.230 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101372098 LATPUJQJPNFUIJ-WJOKGBTCSA-N 558.631 5.865 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCC(C)C 101374423 JFCUWOPFCUUILC-MGBGTMOVSA-N 560.650 6.686 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101374662 FJUTYQRBOZZFJT-LJAQVGFWSA-N 611.522 7.797 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OCC 101374713 CJFJDZLWAQATKR-HKBQPEDESA-N 556.659 6.880 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccco1 101392258 YWYPNKPBPYRJCT-GOSISDBHSA-N 517.777 6.892 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2cc1C 101397894 DMUAEXIOIMJVQE-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 101727563 VXQAHDJMMBEGQU-IURWMYGYSA-N 606.984 7.990 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 102666339 MEJTUPQTWVEIHW-UDXHRHDRSA-N 528.848 6.712 50 10 KKGE O=[N+]([O-])c1ccc(-c2cc(/C=C\c3ccc(N(CCCl)CCCl)cc3)c3c(ccc4ccccc43)n2)cc1 103906671 RFLMLFOKGVKVGK-YVMONPNESA-N 542.466 8.418 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F 104953193 CZASAWOKBRIRTB-MHWRWJLKSA-N 520.185 7.020 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 150401327 XMLQAPYYJIUOSP-SANMLTNESA-N 619.913 9.091 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150460293 YKYVDXXXIJLZSB-HKBQPEDESA-N 647.909 6.893 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 150482021 NMBMSWVGBYUAIB-HHHXNRCGSA-N 633.940 8.878 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483820 WXWNRIJLQMFAMD-PSXMRANNSA-N 663.557 8.537 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 163407205 QCHGDHJBFZEWNM-ZPOUEADKSA-N 652.562 5.891 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 163803251 LJZXZHWWWFFWDO-WVKHYPTHSA-N 787.439 9.158 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 214357447 GHRVVOTVMYOXFG-IMRQLAEWSA-N 520.633 6.171 50 10 KKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1 232476662 AXOHPNJZZHPENM-CQSZACIVSA-N 510.951 5.641 50 10 KKGE O=C(c1cc(I)ccc1Br)N(CCBr)C1CCCCC1 232487249 KKTVJGTVERRYCE-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE CCC(=NNC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 252590319 ARJOVTNWIHTYCT-YZCARSLKSA-N 544.699 6.901 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(Cl)c1Cl 252605678 GLSLAQAHCFPKJA-UHFFFAOYSA-N 540.856 5.142 50 10 KKGE CCCCC[C@@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530222 OUFIJZVLVZAQTQ-HOWUGLBCSA-N 549.349 10.844 50 10 KKGE biogenic C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Cl)cc(Br)c1O 254387414 PGOXQAHHVXQPDV-OAHLLOKOSA-N 711.811 6.236 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nnc2-c2ccccc2)cc1 263628438 GYFSLSJLIIUUJH-UHFFFAOYSA-N 525.556 5.594 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Cl)c(Br)c2)C1 394650049 XEQGOGOOFASEKV-RYUDHWBXSA-N 500.602 5.488 50 10 KKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705618372 OZRONFKYTKPETH-LJQANCHMSA-N 542.880 6.709 50 10 KKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(Br)ccc1I 725037271 LKXPJYBOYQMJJC-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 725410103 XSWMSBWAOTZYBF-DEOSSOPVSA-N 610.332 6.706 50 10 KKGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(Br)cc1 1083872353 LOLCOMNDTKRKOK-UHFFFAOYSA-N 562.537 6.228 50 10 KKGE O=C(CNc1ccc(I)cc1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1083978417 GERAPVJXSFLAEJ-UHFFFAOYSA-N 545.424 6.133 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084128782 CMEWKENGICFDQJ-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084142188 WUABSOGIAIPHDG-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1C#N 1084156129 DSZBRLJETZEIGH-UHFFFAOYSA-N 597.263 6.571 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2C(F)(F)F)c2cccc(C(F)(F)F)c2)cc1 1084353987 YHHWWLAVPOYMIL-UHFFFAOYSA-N 543.489 5.378 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084406430 DCUHVFVIPMYJLW-UHFFFAOYSA-N 618.713 7.021 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084410185 UNFJUIAYQIDETH-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084419729 NDIRFYHOKGEETK-UHFFFAOYSA-N 626.091 5.019 50 10 KKGE COc1cc(C(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)ccc1OCc1cccc(F)c1 1084654637 PZWZYZRIAYNYJS-UHFFFAOYSA-N 523.904 5.999 50 10 KKGE CN(C(=O)c1ccc(F)cc1)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088669456 HZHJAERGQHLTEE-OAQYLSRUSA-N 518.442 5.086 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614701164 IAGVCPCCGGMFOS-WMLDXEAASA-N 500.720 5.035 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21 1772720316 JKWJLVHXRMXIRP-UHFFFAOYSA-N 571.475 6.344 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744202 BBOUGPXNKJVOIY-UHFFFAOYSA-N 534.878 5.891 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755477 JALRASBSAJFSTO-UHFFFAOYSA-N 542.268 5.446 50 10 KKGE C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C3)C[C@H]1O)[C@H](C)C[C@H]2OC 1848355037 YGXDKYAIMAMUAT-XMKLAUNASA-N 920.311 7.460 50 10 KKGE CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440255 REAIXLIMKILMDP-YRWVZJIZSA-N 685.031 8.590 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1c(Cl)cccc1Cl 1865686188 RRXAGRGANHREJT-CQSZACIVSA-N 530.131 6.179 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865687540 UMCZMJXLLKSDBJ-DEOSSOPVSA-N 523.431 5.739 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687974 FOZNAPWTVYDSEQ-MUUNZHRXSA-N 541.051 6.326 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688079 IMKNAVXNNOEENM-QFIPXVFZSA-N 512.532 5.816 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691050 IAUGYJDINLQUNZ-NRFANRHFSA-N 567.395 6.663 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865696428 MIQSCISXJWIUPW-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865701756 DRKAHMIIHNOZFB-HHHXNRCGSA-N 505.622 5.671 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703229 QPNUSBURVHVVES-LJAQVGFWSA-N 555.078 6.983 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 1865705393 UPUAOMGIYBGXQU-QHCPKHFHSA-N 562.504 5.346 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706104 NSBVSSRFQSCBQF-HSZRJFAPSA-N 531.931 5.526 50 10 KKGE Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865757259 UQGKMMLBDPCZRC-UHFFFAOYSA-N 503.349 5.448 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1868300338 CCQMAMQBXZHGGR-VWLOTQADSA-N 521.690 6.995 50 10 KKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(Br)c1 1872752981 CBSIMVQMIOSOTC-QOCHGBHMSA-N 515.448 7.661 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 1872753819 OHRQJMBCVZGJGG-VEWKBMDPSA-N 521.598 6.947 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872754317 NEPNSRIACWLCTP-GDJRBPOVSA-N 514.434 6.528 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 1899859495 KMOQWPGZINGTNX-GOSISDBHSA-N 501.012 6.868 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cccc(Br)c1Br 1905343504 PEYOLNGRKWRQED-LBPRGKRZSA-N 516.027 5.204 50 10 KKGE Cl[C@@H](c1cccc(Br)c1Br)c1sc(Br)cc1Br 1922883638 KPXBYSRKCPXUCZ-JTQLQIEISA-N 524.297 7.126 50 10 KKGE Clc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1I 1922942227 QYZPEFUMNPXQFG-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923065718 GQMVVJQMMPLGJE-QMMMGPOBSA-N 515.826 7.295 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923073331 WHXWHYARHUSCAP-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Cc1ccc(C)c(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596299 MQMVGDJBWWNUGT-JTQLQIEISA-N 531.933 7.331 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c1Cl 1925568902 NPBYGHUSTLYSJE-YFKPBYRVSA-N 520.320 7.779 50 10 KKGE ClCc1ccc(Br)c(Cl)c1-n1cnc(I)c1I 1948741487 WHHLUCWXWYQUFW-UHFFFAOYSA-N 557.782 5.236 50 10 KKGE CCCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495815 MXCLOJZIRQAJBQ-GFCCVEGCSA-N 524.316 7.597 50 10 KKGE C[C@@H]1C[C@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2085496154 VQZQUFWWDHEMCG-OZSWBRGFSA-N 522.300 7.063 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1c(Br)cccc1Br 2117891587 NNWVNKRCEWHPNL-JTQLQIEISA-N 503.016 5.325 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1I 2136959704 VWFDGWBHAQBFNU-MRVPVSSYSA-N 526.344 5.203 50 10 KKGE FC1(F)C[C@]12C[C@H]2[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472098 ZUEKVJVKWZTQMY-LSMXRSANSA-N 588.704 7.218 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@H]32)c1Br 2166119409 LNFSNZAXUKURHB-DNRKLUKYSA-N 549.992 8.078 50 10 KKGE COC[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394525 HQUJIQXFPCPPIJ-WFEFGEHDSA-N 554.342 7.079 50 10 KKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396299 VFRNSMJMNQUCDK-ANLVUFKYSA-N 610.726 8.151 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CCC2CCCCC2)c1Br 2206397059 DQOSBLKZOTUJNX-SNVBAGLBSA-N 596.821 8.533 50 10 KKGE CC1(C)CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Br 2216420358 MRAXSKMANVTCIB-RQJHMYQMSA-N 509.927 7.093 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)c(Cl)c1Cl 2224301500 ASFNODSHBHBCFU-NSHDSACASA-N 510.811 7.342 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232833363 MRQCDWOXMZWWIF-INIZCTEOSA-N 510.007 6.245 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2233163158 VLMIDPCTSVCHTB-OAQYLSRUSA-N 510.291 7.706 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 2270960289 KNPCCBCKWJTUCX-VIFPVBQESA-N 572.769 8.135 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2278089622 UMBMRIZPSNZLEX-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE COc1c([C@@H](Br)c2ccc(I)cc2)cc(Br)c(C)c1C 2284519160 BKBFQOUYYPPXDC-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1 2294172034 VSWFDBRDWMBPPW-UHFFFAOYSA-N 503.602 5.683 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 2296720924 YJRHJBOFLKZMLU-UHFFFAOYSA-N 522.605 6.037 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(I)c2)cc1 2297321723 RVPOMKJLEMGZSK-UHFFFAOYSA-N 596.469 5.067 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)N4CCOCC4)c3C)sc3c2CCCC3)cc1 2313564940 HKDHAQOBNKTMNJ-UHFFFAOYSA-N 528.678 5.361 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566813 AZTZRDBAKLJXNK-UHFFFAOYSA-N 709.753 6.384 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 2313568005 NHLRAJHIYBPKJW-UHFFFAOYSA-N 509.375 6.420 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2314476096 IREJBWJFTBQIJU-UHFFFAOYSA-N 518.038 6.710 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593325 LFQWMIWTRSOLCQ-QYBDOPJKSA-N 584.063 7.225 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640638 GFWPQXGWYKSWOL-HKBQPEDESA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 2314640692 NMXLNEPTFYDSRU-HKBQPEDESA-N 569.444 7.409 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 2314643407 XHGNITZGCVJKPH-WJOKGBTCSA-N 518.544 6.242 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 2314754195 MVUQHTACTRIAPI-UHFFFAOYSA-N 535.578 5.761 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1 2320487654 MLYPFTHIFYWTBN-UHFFFAOYSA-N 540.670 5.674 50 10 KKGE CC[C@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2324599260 DWSYXRBMTBKVEW-YTTGMZPUSA-N 518.705 5.947 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2337083857 FEOIQBGATZIPLM-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1sc(Cl)cc1I 2338770813 MWOJYXSHWKALDZ-MRVPVSSYSA-N 501.558 6.879 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(Br)c1F 2360495076 YLJSELKSOSLVCE-JTQLQIEISA-N 509.797 7.281 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)cc(Br)c1 2365217367 DHRJBFKTHASAPL-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1COc1ccccc1 97998899 ZQHGOLBRVFQBLI-VEILYXNESA-N 506.671 8.510 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 100164046 OFUVIAQMPDALSR-UHFFFAOYSA-N 536.492 5.002 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174760 MDDCHQRIZPNVPT-UHFFFAOYSA-N 524.198 5.028 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243996 REQONEPKGBBMIU-XKQSAKNCSA-N 566.510 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101339692 QEMKGFZSNXVZQA-MUFRIFMGSA-N 600.675 6.404 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362377 DUJULDLFSGSBHY-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367447 JGJPAOBYHNIYPS-XIFFEERXSA-N 576.649 6.746 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369245 BVPNLDQHFYUKOP-GDLZYMKVSA-N 535.512 5.590 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 101372411 ZBNRRSVYRJGSSK-PMERELPUSA-N 547.051 6.674 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384646 DFZDQIIYFADHSH-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1Cl 101385964 XIMUCJVNXLDUMN-GDLZYMKVSA-N 583.984 6.273 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388046 GGVLCZVWWYOPBY-HKBQPEDESA-N 567.041 7.064 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389536 IDLDGCPWRGTSDA-CGKQSPDFSA-N 598.602 6.534 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1OC 101392587 YJUDOQRXJRPHAZ-HSZRJFAPSA-N 533.005 6.318 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101395127 UHXZCUUEIJMIHS-NRFANRHFSA-N 551.407 6.432 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397443 XECPISMCRRCDOY-LJAQVGFWSA-N 587.459 7.327 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(C)cc6c5C)ccc43)c2)cc1 101398228 YMFMYIYPIKTAAN-MGBGTMOVSA-N 570.645 7.683 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609826 JMQWYMQDJTXPNL-AWQADKOQSA-N 546.671 5.539 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615129 JHZDHBREEXBDQI-ODQASSKESA-N 605.894 7.276 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Br)cc1 102933066 ALMQYZDVHTWROU-YVLHZVERSA-N 542.773 6.144 50 10 KKGE O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)N/N=C/c1cccc(Br)c1 103549343 HZZXLHYBVINBJR-VULFUBBASA-N 526.847 5.593 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103797581 PTQBENXUHPZSPT-UXHLAJHPSA-N 532.438 6.386 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1 103878083 KWPZHVKTQVWBDL-IPPBACCNSA-N 586.280 7.008 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC 103890533 ZJQPMIMSPUGBGU-JYRVWZFOSA-N 531.177 5.941 50 10 KKGE O=C(CCCCC(=O)N/N=C(/c1ccccc1)[C@H](O)c1ccccc1)N/N=C(/c1ccccc1)[C@H](O)c1ccccc1 105436250 CVLMRNMQWDMXSO-VEZDQOBKSA-N 562.670 5.055 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 128839647 ZYAHEGMXGKXYRL-NSHDSACASA-N 582.775 7.591 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)ccc2Br)c(OC)cc1Br 134293553 HFIZBFHBQPWBOQ-OAHLLOKOSA-N 543.875 6.476 50 10 KKGE BrCc1c(Br)c(Br)c(Br)c(Br)c1CBr 139295282 VFZISEGFCBFJQK-UHFFFAOYSA-N 579.544 6.526 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1 150383029 OYNVYZYPHRDNKH-TVYAFPLLSA-N 640.259 5.439 50 10 KKGE CCOc1cc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442170 BRMTZOBFUXGOGF-IDVDRXHOSA-N 784.819 5.728 50 10 KKGE CCCCCCCOc1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(OCCCCOCC)c(OC)c3)c(C)nc2C)cc1OC 150477491 IUBGUCRLWJXFNI-YXTVXKGXSA-N 689.854 6.788 50 10 KKGE CC[C@@H](NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccc2c(c1)CCCC2 217192412 CSDJVBVOKSNTIX-QHEKLXHTSA-N 506.675 7.237 50 10 KKGE C[C@H](Br)c1ccccc1NC(=O)c1cc(I)ccc1Br 235411997 WYOWUOVOZFVKFG-VIFPVBQESA-N 508.979 5.762 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 253575703 UXWVXUFALGQVQT-XTEMPVLWSA-N 613.652 5.570 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2OCC)cc1 254300848 SBBRPDRWCZUIQX-UHFFFAOYSA-N 532.637 6.054 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)n2-c2ccccc2)cc1 254303218 JOAOVYPNIFOUOA-FIGCKISGSA-N 532.467 5.873 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254346579 AKAKDHXQCQSRQI-UHFFFAOYSA-N 528.737 8.990 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)cc1 254377636 FMRGZFSLICKENQ-UHFFFAOYSA-N 736.876 5.147 50 10 KKGE O=C(NN=Cc1cc(N=Nc2cccc3ccccc23)ccc1O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254759752 QKYZDQOIBOIHAA-JJEKZOHKSA-N 583.604 6.611 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254762874 BYFDADBWIAXNRT-UHFFFAOYSA-N 538.729 7.854 50 10 KKGE CC(=NNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 254872070 PHDSYADKPRBNFH-XYEMOUPBSA-N 582.701 6.112 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)c(Br)cc2N1 312266421 MXTPWXWJGOWMGD-LBPRGKRZSA-N 544.888 6.015 50 10 KKGE CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCC/C=C/CCCCCCCC 504172903 LIBNDJOBAGMROQ-WHWDJNHSSA-N 637.430 12.531 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616584261 AUHUBWQSDUBDNK-KJWQXZETSA-N 602.882 6.424 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 725404478 IGLUMQQMQCVZID-HHHXNRCGSA-N 595.490 5.817 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 725425194 FPMULMDUFBRAOL-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 1084025815 NKDLNBYEIATNAE-FYJGNVAPSA-N 552.255 8.034 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084137134 BGANWCAFVOPSPO-UHFFFAOYSA-N 573.568 7.620 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1 1084219447 ZVVHGAHLJSURKE-HZHRSRAPSA-N 550.884 6.246 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(CCN2CCCCC2)c2ccccc21 1084436932 UQZNNGSBAXYLDM-UHFFFAOYSA-N 594.779 6.399 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084454853 PCPBNPALNNVSTM-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084469404 WJWOZAZKEYAGHY-MHZLTWQESA-N 571.501 6.672 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2F)cc1 1084615460 LTQHHKSITBKJJG-UHFFFAOYSA-N 560.434 6.047 50 10 KKGE CN(C(=O)c1ccc(Cl)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613935475 XZHPKSZQUNVDBF-PMWNKBIASA-N 534.897 5.600 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653107 GLMBXHRSHPFDMP-UIZJGYIGSA-N 550.511 6.859 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747763 QRVZSSHDAJRPLA-UHFFFAOYSA-N 571.449 6.622 50 10 KKGE CCCCC1CCC(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1858669974 GCZJEYXNXZUWIS-UHFFFAOYSA-N 528.700 5.383 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688325 PEKSSRVTNQTAEZ-LJAQVGFWSA-N 520.633 6.247 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688924 FSTIUSHJZJZMLH-JOCHJYFZSA-N 529.394 5.543 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865688932 FVXPLLJSFOWWBN-HHHXNRCGSA-N 506.606 5.922 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690262 NAKBLHAQVZPHDU-RUZDIDTESA-N 517.416 6.539 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690593 WLSQTWQZMGRERL-VWLOTQADSA-N 525.480 6.978 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865693646 LIXKKIXCESEZPD-MUUNZHRXSA-N 510.569 5.575 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695147 LEQWVSYDTLDJAS-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865695539 DPACXUZEJDSRPP-GDLZYMKVSA-N 528.697 6.687 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695658 RAVNOQQMALQTFR-WJOKGBTCSA-N 542.639 6.702 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1O 1865697261 YTDUWGOFSHGDNI-QFIPXVFZSA-N 547.384 5.432 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Br)c1OC(C)C 1865697511 UXWCLNINUPWLAF-OAQYLSRUSA-N 574.273 5.720 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704932 IKVHEOSJIRDYQX-RUZDIDTESA-N 528.971 5.724 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705958 KPBCTKVAWQLVIT-HHHXNRCGSA-N 524.596 5.747 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706324 TXBPVNGCFYICJA-JOCHJYFZSA-N 501.905 5.517 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865708683 CQFIUVYCIOHCRT-XMMPIXPASA-N 526.980 5.265 50 10 KKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866128200 CDCWMQAJJKBOJP-OGRZUZBBSA-N 561.432 5.108 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866765409 WVCBFPASZTYQSJ-URLMMPGGSA-N 541.623 6.426 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009979 AXWKKIOKBJDPBV-IZLXSDGUSA-N 529.662 5.614 50 10 KKGE CC(C)c1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231984 ZAYLGTNFVDZVCH-HKBQPEDESA-N 519.718 8.192 50 10 KKGE N#C/C(=C(/O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 1872748298 ROOUVDMAUBQKOW-RFBIWTDZSA-N 513.663 7.410 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 1872749479 SRPOWHCDTWLXKL-UOODYVSWSA-N 517.607 5.621 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1Cl 1872756726 XISOGVNGXAKHGD-KQWNVCNZSA-N 512.975 5.939 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1OCc1cccc(C)c1 1872794940 FEJSXTSXGLMRFU-UDWIEESQSA-N 507.442 8.077 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)oc1Br 1924568951 NUIDSOWLZPLZFU-ZCFIWIBFSA-N 572.736 7.184 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CCC2CCCC2)c1Br 1924583386 JGLOCWBGNWSYQK-QMMMGPOBSA-N 509.927 7.442 50 10 KKGE CSc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924589583 CMMUZYMOZOPLIS-VIFPVBQESA-N 535.946 7.242 50 10 KKGE CC(C)Cc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924616963 VUTXIXJRFAQILP-CYBMUJFWSA-N 501.509 7.562 50 10 KKGE CCOc1c(Br)cc(C[C@@H](CBr)NC(=O)OC(C)(C)C)cc1Br 1984033868 NEHWFYOUXPXJRY-NSHDSACASA-N 516.068 5.441 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)sc2Br)cc1Br 2137661953 HVHWTHAKRZHWAX-NSHDSACASA-N 509.872 7.026 50 10 KKGE CO[C@@H]1CC[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467992 FQSAQTPPMFRCBZ-JMOVZRAMSA-N 540.315 6.832 50 10 KKGE Cn1ncc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141468509 KPIRVUKAYBRGMM-JTQLQIEISA-N 601.156 6.561 50 10 KKGE CCCCCCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470569 IGCWTLYFPQTKJR-SECBINFHSA-N 584.810 8.533 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCOCC1 2173209045 SWJMXTQBACBXQS-ZETCQYMHSA-N 521.418 6.722 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(I)ccc1Br 2203830252 NWGRXXSSXFDJOV-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE Brc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206399802 LPVHZMHNKKQORB-NSHDSACASA-N 720.511 8.746 50 10 KKGE CC(C)(C)N1C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222473824 UEGXNDLUKZGTSG-BQBZGAKWSA-N 524.942 5.997 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225634470 PHXORQJRPFVBLA-CQSZACIVSA-N 515.840 6.906 50 10 KKGE BrCC(CBr)(Cc1ncsc1Br)c1ccc(Br)cc1 2226133890 MWHNDVSJTCPRGF-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Fc1cccc([C@H](Br)c2ccc3c(c2Br)CCO3)c1I 2238059731 JEHVJHGLMYRNQV-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)cc1Br 2267243403 VWCNLGGENQXSPM-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277958937 MNMIZKOADGLCRU-ZDUSSCGKSA-N 515.840 6.792 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@@H](OC(=O)C=CCCCCCCCCCCCO)CCC1(C)C)=CC=O 2294818689 GUIRYHSYZCBBET-YTTGMZPUSA-N 524.786 8.688 50 10 KKGE C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](N=Cc1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12 2296604797 HJVPMMQNVLOVDY-IIRUIUEDSA-N 828.145 11.909 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 2296706024 MYCZGIDFPVXHBU-UHFFFAOYSA-N 528.587 6.481 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C(=O)OCC)cc3)N(c3ccccc3)C2=O)cc1 2296834379 DKCPZYKAAGGIEI-AREMUKBSSA-N 569.639 5.105 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2297458612 KRHGHBLDTJFTJX-QFIPXVFZSA-N 567.396 5.561 50 10 KKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(I)c1 2301084033 OFZYMOMWSKOBLN-SNVBAGLBSA-N 557.391 6.234 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 2313566887 CQTUETYZLJXCRH-UHFFFAOYSA-N 552.631 5.557 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567099 GEBXYEYNMMUIEM-UHFFFAOYSA-N 693.298 5.870 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)sc(C)c1C 2313568098 RGULPKKDXCCQAN-UHFFFAOYSA-N 516.667 5.205 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1 2313568451 SPOIFOMVFQJKQY-UHFFFAOYSA-N 538.385 6.123 50 10 KKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2ccccc2)cc1 2314432984 IOGBJUMKQBWGPC-UHFFFAOYSA-N 566.664 6.342 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592181 NKPJGMPBPNUAGF-QHCPKHFHSA-N 557.981 6.432 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634738 DONQRHLPGHMNPH-NDEPHWFRSA-N 500.982 6.356 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314640679 LMJMEWNJKRWNMB-UUWRZZSWSA-N 591.107 8.053 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(Cl)cc2I)cc1Cl 2316775023 OFDRNVDMMBKHIE-NSHDSACASA-N 540.873 7.215 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1 2331305437 CJINZAWYRXUQQC-UHFFFAOYSA-N 510.615 7.259 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373233 OXIWSGSESNLRBX-NRFANRHFSA-N 501.652 6.406 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2338023755 LDBWXMJEVDKCGS-AWEZNQCLSA-N 531.933 7.472 50 10 KKGE Clc1ccc(COc2cccc(CBr)c2Br)c(I)c1 2341051513 PCFWOXCBDHGNGD-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(Cl)cc2Cl)c1Br 2351640491 DJOUSFGQIAEMKG-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362222167 ARBBUZYTLRUJRH-SNVBAGLBSA-N 601.248 7.232 50 10 KKGE CCc1nc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2362231660 GVECGLNIXAJHRO-VIFPVBQESA-N 526.878 7.114 50 10 KKGE COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OCc1ccc(Cl)cc1Cl 1885925 NYESQVIIZVOLTN-AMVVHIIESA-N 584.485 5.686 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2888397 WLDPMPVKVZANKP-ONZPZFSWSA-N 536.245 5.201 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 33348850 IQDWTQOPZHARRA-QNGOZBTKSA-N 514.632 6.438 50 10 KKGE O=P(CCOCc1cccc(COCCP(=O)(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1 33355475 YAQIPBOBILBXTH-UHFFFAOYSA-N 595.616 6.143 50 10 KKGE biogenic Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1 33379047 IYBGTBYCNPZHPZ-ITYLOYPMSA-N 514.585 6.243 50 10 KKGE N#C/C(C(=O)N1CCN(C(=O)C2CCC2)CC1)=C1/SC=C(c2ccccc2)N1c1cccc(Cl)c1 37441723 NPNCZOMVKFOPAL-VYIQYICTSA-N 505.043 5.098 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 38605537 IQZLMNXDHGQLAW-OGLMXYFKSA-N 522.649 6.275 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679977 JHWRQZRNBOPPOO-RUZDIDTESA-N 509.389 6.319 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684680 GVPNQBCQZMGDMN-LJAQVGFWSA-N 510.590 6.114 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCCC)c2)cc1 38685159 IQFPMJUMIGWFHX-PMERELPUSA-N 526.633 6.872 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38700655 RVXGSTXEIMUZMB-NDEPHWFRSA-N 508.574 6.584 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc(C)c3)CCC4)ccc21 40811322 SOVUYCMICONXPH-YQCHCMBFSA-N 518.617 6.747 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)cc1OC 40951224 SKXRNVVPLBNTEE-OVVQPSECSA-N 505.453 6.035 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 58890026 DJPOFTHBDPONAF-GXZQEHIMSA-N 511.416 5.309 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)Nc1ccc(Cl)cc1 100062054 SNIHLYHERDOTSC-UHFFFAOYSA-N 527.600 5.250 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(Br)c1 100185719 SXXIVBNOUHRWGE-UHFFFAOYSA-N 528.241 5.254 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 100186732 FNYIMFWNEANTCO-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235588 WOZRXEWGKDEQKM-PKEXHZLISA-N 590.858 5.952 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 100291155 XXCIDVRSXBCGGN-UBKPWBPPSA-N 535.069 5.239 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244518 LYEFGRTZZOHZIE-IDJUBOEBSA-N 536.484 7.182 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246745 LCGDGOXGVCRTNO-KVILUOORSA-N 534.037 5.812 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101338551 UYFNLZSBUHWWKI-OGLMXYFKSA-N 520.633 6.109 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101338833 WTUUWOZZNSLCMX-VUTHCHCSSA-N 512.613 6.617 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 101340525 VEAKDQIARPXXNG-OGLMXYFKSA-N 595.074 7.303 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362472 VXMIKXWCCBNVRS-HKBQPEDESA-N 532.596 6.492 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(Cl)cc1Cl 101365092 ZLQKAMDRYHBEAL-QGZVFWFLSA-N 557.258 5.891 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369339 JTOXDHKIVVYUBY-JGCGQSQUSA-N 546.623 7.485 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374743 ACMCMJYVXJOBBL-MGBGTMOVSA-N 570.686 6.980 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383134 CXGILZHNSAORNJ-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101386601 XOABUUHWIMPRSJ-YTTGMZPUSA-N 566.585 5.924 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)oc2ccc(Br)cc12 101390939 VYPXEZWMMSNGFX-PMERELPUSA-N 607.460 7.520 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101394212 JQHVCGFVGLUMBL-RUZDIDTESA-N 555.414 6.237 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101395857 IMLFFDCDFOXMRT-HKBQPEDESA-N 580.681 7.619 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399589 BDCAYSUMCSYVGZ-YTTGMZPUSA-N 590.607 7.214 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1F 101399879 AWZDSDNNCSQNRK-UUWRZZSWSA-N 618.661 7.912 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399964 ZNIBAJQGJWSTTG-YTTGMZPUSA-N 625.052 7.949 50 10 KKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 101513995 HXWOGNKTLIOUGJ-UHFFFAOYSA-N 548.478 5.034 50 10 KKGE COc1ccc2c(c1)/C(=N\NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)N2 103736243 DOLDZRPEINHDTA-UHFFFAOYSA-N 513.617 5.527 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 103878003 RKUIPZAEPHKKGS-XICOUIIWSA-N 559.622 6.502 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 103878435 ZLSMGKLLZGEQFG-AMVVHIIESA-N 574.391 6.462 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc4cc(Br)ccc4c3Br)cc2)c1 150388097 OHZCOGCSBAWOMM-UHFFFAOYSA-N 670.383 5.640 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(I)cc1 163806589 FNKICEGKGRCCRZ-XICOUIIWSA-N 641.509 7.409 50 10 KKGE COc1c(Br)cc(/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)cc1Br 164003549 YFBGJWZEKDPRQZ-WMFSDKRHSA-N 810.220 8.255 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682109 MYCARRQNTBVVPF-RLPLIERXSA-N 521.295 9.920 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 214394065 XVSGYZYDYIVNBG-GXBUFBABSA-N 624.672 7.058 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C2=O)cc1 214401172 IXNURMLDZUTBID-NVMPUMLXSA-N 614.746 7.116 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214428552 RNWVEZWTTHUCBE-IMRQLAEWSA-N 554.672 5.587 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)cc1Cl 235018791 ZUAUNJNTMGMHII-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)OC(C)C)cc1)c1ccc(C(=O)OC(C)C)cc1 253562694 DONNYPAMXVIHKF-UHFFFAOYSA-N 514.811 5.918 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(OCc3cccc4ccccc34)cc2)cc1CSC1=NCCS1 254309385 WDSUGPAMEQGYOF-UHFFFAOYSA-N 541.698 6.527 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)n2-c2ccc(C)cc2)cc1 254682301 GYXKGFIOUUZRDE-UHFFFAOYSA-N 549.656 6.286 50 10 KKGE CC(/C=C\c1ccccc1)=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254740218 OLBLEKPEMHQGKI-SRLMGUAKSA-N 506.262 5.931 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](Br)[C@@H](Br)CC[C@]4(C)[C@@H]3CC[C@]12C 254759237 MJONUVUVBROXRW-IWPMOVRLSA-N 530.473 9.245 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 254903673 JQYXWIKRUHKCTN-UHFFFAOYSA-N 587.809 7.596 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)c3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019829 HHBWIEUXWSRZGE-GHBVHVRQSA-N 624.366 5.815 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)o1)c1cccc(Br)c1 378969209 FDRPRVFVDHBUAU-UHFFFAOYSA-N 515.865 6.075 50 10 KKGE Cn1ncc([C@@H](Br)c2ccc(Br)c3ccccc23)c1I 379145551 CPQBOAOLCMQMKY-AWEZNQCLSA-N 505.979 5.425 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 616581740 AOXWVTIMEGOVNF-ORGOQBCOSA-N 763.964 7.004 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589009 ZUFMOUFQBYZIHB-GHOIUIQTSA-N 885.088 9.507 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616589953 QCJSYZSJARHGIB-OSWUWPNASA-N 620.903 8.306 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)s1 688147114 QXGZNNCGUHAKMD-LBPRGKRZSA-N 580.905 6.508 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 724909939 PUORWPISFBGEKH-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE O=C(NCc1ccc(Cl)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237347 DQVIFITTXSWKDP-HXUWFJFHSA-N 501.357 6.050 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 725429255 YZGJLQBLHUXYCH-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817465 FAGFLKDXAVYVFV-SEFGFODJSA-N 672.973 7.366 50 10 KKGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC 1083942057 LAFCWVUIGJIZEU-UHFFFAOYSA-N 708.020 5.457 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2ccccc2o1 1083963510 YPBLMTPKFSIYFF-UHFFFAOYSA-N 508.188 7.389 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1083978715 PFMLNSZELHHKLH-UHFFFAOYSA-N 636.568 6.081 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1083999771 HMKUWQCWLVIOBE-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084006737 CNSHOTQFTRZPAN-UHFFFAOYSA-N 579.122 5.800 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cccn1-c1ccc(Br)cc1 1084119188 KGSGUCXAONQTMM-UHFFFAOYSA-N 556.052 5.294 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084123492 PFSZJUOCIFYPLJ-SANMLTNESA-N 569.496 6.098 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 1084177253 JFYJYKJXCCEHRG-UHFFFAOYSA-N 514.673 7.748 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(I)c3)c2C)cc1 1084262578 BIMZAKPNYCPMDB-DEOSSOPVSA-N 545.421 5.061 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)cc1 1084443817 NLBIORHLVRMIQF-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1 1084478609 XGXVGXSIQRPCQJ-UHFFFAOYSA-N 580.635 7.093 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1OC 1772748519 QYNGYGMSBJRYAI-UHFFFAOYSA-N 544.435 5.355 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1O 1772753750 HAXLZNFKCPNZCT-UHFFFAOYSA-N 548.231 5.512 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687496 SJKOJWKBDHQELC-HHHXNRCGSA-N 522.605 5.774 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690666 YKHMTCOQJMHPCE-HSZRJFAPSA-N 518.495 5.697 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696693 JATQQGRDFLNKHZ-AREMUKBSSA-N 577.468 6.869 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701112 MFYCYDUUBFRUKR-HHHXNRCGSA-N 543.023 5.902 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc(Br)ccc1F 1865702228 PUUNPUDTHINUQQ-JOCHJYFZSA-N 553.794 6.511 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704577 ZDVLCSJGUMHATR-WJOKGBTCSA-N 544.630 6.973 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705549 YVWSALGNVSJECV-XMMPIXPASA-N 548.386 5.329 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711783 HWUVEWFZIBTOJV-QHCPKHFHSA-N 520.486 5.886 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712424 YBIJGMMLPHBLPE-HSZRJFAPSA-N 520.486 5.886 50 10 KKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 1865712490 ZZUYUKLMFGQENA-MGBGTMOVSA-N 554.650 6.865 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3c(I)c(I)c(I)c(I)c3C2=O)cc1 1865903415 GYSLTQWFICQSGK-OAHLLOKOSA-N 931.069 6.524 50 10 KKGE CC(C)c1ccc([C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866956865 YIAQDNHICSVYKL-IZLXSDGUSA-N 517.670 6.628 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867048447 BRNBYSNXERLDNN-SANMLTNESA-N 558.754 6.373 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868341928 DPOYXLCNGVPZEA-LJAQVGFWSA-N 519.718 7.978 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432902 ADZKEKYIIWJLCG-XMMPIXPASA-N 534.472 7.345 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)nc(-c3ccc(F)cc3)n2)cc1 1868456856 VGXUFVIPOQIBBM-HKBQPEDESA-N 557.698 8.336 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872751032 QQBBNFDNYIZFPA-TYNKLVQMSA-N 501.608 5.552 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 1872751495 KQNRLSOYDYSMPJ-QYQHSDTDSA-N 506.668 7.644 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924608706 LYQGILGDBPYTKZ-ZETCQYMHSA-N 600.765 7.616 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012749 KCNRWKPWPLPNNJ-BJKLCWMPSA-N 686.698 11.661 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2069526790 DIMYHZDULFSWLS-JBSQKODLSA-N 641.142 11.150 50 10 KKGE CC(C)(C)[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 2111372964 CQTSIWZKKQURRL-NTSWFWBYSA-N 547.923 7.789 50 10 KKGE CC[C@@H](CC(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468437 JVUYAUAWYXRIKY-RMLUDKJBSA-N 540.359 8.089 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(I)ccc2F)cc1Br 2202901753 HAUBRVNCTINISZ-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1Cl 2225620200 RRASIOAYASYNEX-MRVPVSSYSA-N 540.250 5.984 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCC[C@H]2CC3)c1Br 2273335033 SHRNDWXKTZOLQC-GTNLGMRDSA-N 580.778 7.753 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277952592 HCRBEPGMGWYXTI-LLVKDONJSA-N 515.869 5.695 50 10 KKGE Cc1sc([C@H](Br)c2cc3sc(Br)cc3s2)c(C)c1Br 2278090749 GDIRGYMMEXDOIT-GFCCVEGCSA-N 501.128 7.650 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1F 2279141839 MMTREPDQPFJKSF-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)sc2Br)cc1Br 2295425057 BTARFGCFJLVCEY-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE COc1ccc(NC(=O)COc2ccc(Br)cc2C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1 2297371644 OEEUBDILXPDVCV-UHFFFAOYSA-N 508.328 5.448 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](C)C2 2297458542 RSIVSABVZOHYEN-OAHLLOKOSA-N 505.552 5.763 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1 2313518929 ZTMMQTWBJRKGON-UHFFFAOYSA-N 623.672 6.840 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 2313568823 XOYJUMIKSYHTEJ-UHFFFAOYSA-N 507.417 7.164 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2ccccc2c1 2313570979 KRUHAGDMXLAFBQ-UHFFFAOYSA-N 596.308 8.432 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571472 XFEAUSVWLHNRRI-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccco4)s3)o2)cc1 2314432948 IHJSDMAWZTVOEC-UHFFFAOYSA-N 535.581 7.156 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314610358 GKZNJXVJELAGTB-UHFFFAOYSA-N 611.101 7.564 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314611058 PILGJPHMNDSEPB-UHFFFAOYSA-N 605.138 7.944 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C(C)=C(C#N)C2=O)cc1OC 2314617250 URQCBQKXHCYJHY-UHFFFAOYSA-N 589.608 5.300 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 2314643133 DQCCFWLNCBLIIB-XIFFEERXSA-N 595.051 6.773 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 2314643462 YSBGRDYMTGGXHQ-PSXMRANNSA-N 618.705 7.938 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccc(F)cc1 2328821220 HVRFOHGQBNBQGJ-UUOWRZLLSA-N 501.599 5.193 50 10 KKGE CC(C)(CI)COc1c(I)cc(Cl)c2cccnc12 2351666209 ZFYXLFUHYILYNW-UHFFFAOYSA-N 501.533 5.333 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2380950063 SDGHTEVQDKAMTR-CQSZACIVSA-N 501.509 7.843 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC 38649488 YYHCFSAGZZATQZ-AREMUKBSSA-N 500.551 5.273 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCCc1ccccc1 40911673 JPIZPVCODGZZHH-QNKGDIEWSA-N 516.682 6.560 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)cc1Br 100173203 QBKCWSNHJLYQBD-UHFFFAOYSA-N 550.519 5.246 50 10 KKGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(NC(=O)C2CCCCC2)cc1 100212866 RBLXBLHXXACIGM-UHFFFAOYSA-N 623.573 5.539 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2C#N)cc1 100234584 NLAKOSAJQUPNMV-PEHSQKLVSA-N 536.426 5.262 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100327355 KAPZTDVCDNOWAF-OFGWUUMASA-N 566.279 6.307 50 10 KKGE Br[C@@H](CCCCCOCCCCC[C@H](Br)Cc1ccccc1)Cc1ccccc1 100329469 NDUXHEOFXBNAIH-UIOOFZCWSA-N 524.381 8.136 50 10 KKGE CCCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)cc2)cc1Cl 100920364 LVASLYYGNZIRTD-LHLOQNFPSA-N 614.105 7.861 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101079309 FIKXTFAQNHRAJB-PNQUVVCRSA-N 558.248 5.592 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 101340290 NKJBIIGXTGCBKQ-KGENOOAVSA-N 507.373 6.097 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101375316 UTHQRDYDRKEDPI-WJOKGBTCSA-N 587.629 6.155 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101376995 RTDXRDXONALEQK-YVVUMGOASA-N 549.454 7.399 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 101378115 FAPONMVCIMHGQF-WJOKGBTCSA-N 540.660 7.262 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 101378130 SHKOBRNJYBAHIA-SSEXGKCCSA-N 531.052 7.055 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Br)cc5)ccc43)c2)cc1 101381961 YDVWILAGJROGAC-HKBQPEDESA-N 597.465 6.539 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384298 WVQNMTWKACIRMD-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cccc(Cl)c6c5Cl)ccc43)cc2)cc1 101397397 WSFNUBZIXODURF-MUUNZHRXSA-N 613.522 8.533 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101397746 MNRNAVXRISWJIJ-XZWHSSHBSA-N 550.542 5.368 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 102416670 IATWRPRZRUYJRC-CYVLTUHYSA-N 562.047 6.705 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Br)cc2)cc1 103741537 NDUZOJOKJWMBQF-QPQMVVSWSA-N 563.433 5.731 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Br)cc1 103755244 ZAGCWNHBDWEYOB-YBFXNURJSA-N 603.254 6.495 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1 103878241 YCQKZPSKFIWZHU-HWLOXFRGSA-N 535.647 7.949 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1Br 137902741 NRRYRDJBXZQRIG-NSHDSACASA-N 503.879 6.828 50 10 KKGE COc1cc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 150426640 AICILOXMMWIGAZ-RVSCTIAXSA-N 670.399 5.577 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432840 UZPXDGQOTKFAFZ-JBUCUFAESA-N 673.593 8.686 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 150460214 HYHZXOQZCFSREE-FLFHKRBWSA-N 697.213 6.297 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 150611571 CCMVFNXJYCFASX-DKBBSDKKSA-N 677.589 7.443 50 10 KKGE c1ccc([C@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)[C@@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 210932129 JMBTWUBNZRVXAU-XWQGWOARSA-N 760.902 9.565 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1 214400800 HUSKOKIBTFHUBN-GPXYMTOFSA-N 570.649 5.706 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc2ccccc2c1 252607146 GYLDTQNRPKTEJS-GOSISDBHSA-N 596.498 5.465 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@@H]3CC[C@]12C 254371677 UOMMDIWLOYTRIE-RNUNEUJASA-N 610.583 8.995 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2cccc(NN=Cc3ccc(N(CC)CC)cc3O)c2)c(O)c1 254822793 YAWKPNXBTYBCLK-UHFFFAOYSA-N 516.646 5.000 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1 254863494 SHBBRYFXLNFRBM-UHFFFAOYSA-N 543.693 5.800 50 10 KKGE CCN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C)c1cccc(C)c1 256019899 LMYHNMWETIKOFR-MDASCCDHSA-N 522.119 6.034 50 10 KKGE Cl[P@]1(Br)=NP(Br)(Br)=N[P@](Cl)(Br)=N1 263632980 NIKBNUOAHYXLKX-VXGBXAGGSA-N 525.465 7.896 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)c(Cl)s2)c1I 300472467 OZRNPOODTCRDSQ-JTQLQIEISA-N 506.428 6.561 50 10 KKGE Clc1ccc(I)c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382692895 AKCYKRNFHXFGOC-PBHICJAKSA-N 537.610 5.595 50 10 KKGE Fc1cccc2nc(CCl)n(-c3cc(I)cc(I)c3)c12 690393993 UVIVPZZHRWAATO-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(Br)sc1Br 721594070 NLMIHVATYMXDFD-JTQLQIEISA-N 571.297 6.968 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000315 IDKDEJKAOLGAAX-PQYQQELUSA-N 604.619 6.173 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(I)cc1 1084106307 QSPJSWBWKBENEC-UHFFFAOYSA-N 745.149 7.146 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)o2)cc1 1084432684 ILYIIMOLEXQQEM-UHFFFAOYSA-N 580.062 5.431 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@H](OC(=O)CCCCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536202 PZBUHTHCCFTXDY-OLNMAVGNSA-N 658.644 11.169 50 10 KKGE CCCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 1614616572 LFYZQVNKMSDPFP-LADGPHEKSA-N 521.439 6.433 50 10 KKGE CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1614653220 WGMUGUOQGRBKBA-QNOVMCAUSA-N 511.647 5.561 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)cc1 1614769421 KNQBPFZLOTYQTP-CFIVFFETSA-N 660.752 5.096 50 10 KKGE O=C(N/N=C(/CNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1 1615947200 ZNCWHXFGFLRHMS-GXBUFBABSA-N 542.867 6.333 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746834 ANLBBGJZKDALIX-UHFFFAOYSA-N 515.353 5.834 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748530 ZBLVRUPLYQKGBQ-NSHDSACASA-N 519.417 5.169 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Br)CC[C@]4(C)[C@H]3CC[C@]12C 1848665550 YAHXNVGUCZQYAB-OFNPRJBJSA-N 535.651 9.113 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688698 YPCYTLHPIJEGJV-HHHXNRCGSA-N 527.024 5.936 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865692609 NYMFWHYMUSRPKV-DEOSSOPVSA-N 533.415 6.141 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(Cl)c(Cl)c3)cc2)cc1 1865694077 UBVXUFQXMFSENH-AREMUKBSSA-N 517.416 6.593 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696063 WYVHUBAANNEATE-AREMUKBSSA-N 531.443 6.929 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699007 IILNZBCGNMSYRQ-SANMLTNESA-N 505.553 5.456 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865704085 MRGHLMHMUPWLTB-OAQYLSRUSA-N 523.902 5.737 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)c1OCc1cccc(C)c1 1865705255 PODOUTZTTCXKDF-MHZLTWQESA-N 510.569 5.493 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(Cl)c1O 1865707430 WZGQOPFOMPELBJ-JOCHJYFZSA-N 502.933 5.323 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708307 TVEKANXYGLSHNN-QHCPKHFHSA-N 504.924 5.757 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccnc4)C3)n2)cc1 1868528645 XVMFTADJYCITJT-RUZDIDTESA-N 510.623 5.832 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754420 RPAZVMJZEVYMJS-BMJXPWMWSA-N 517.676 6.254 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCc1ccccc1 1872793172 LVMNPCDMTCTLEY-MFKUBSTISA-N 524.686 8.292 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c(C)c1 1872794220 PRPRNKJRZRMALZ-GIDUJCDVSA-N 504.247 7.030 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2cscc2s1 1923038393 IWDSCMPWGMEICD-QMMMGPOBSA-N 507.519 7.687 50 10 KKGE COc1cccc(OC)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923073017 TWPUEBWHYBILRR-JTQLQIEISA-N 505.453 6.428 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)ccc1I 1924044141 SYLLSEYBUZQULC-CLAHSXSESA-N 515.414 6.295 50 10 KKGE FC(F)(F)c1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924602519 YMADCOLWHDVOJA-VIFPVBQESA-N 513.398 7.383 50 10 KKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615673 FBGKQKJXQLSSMK-LURJTMIESA-N 537.859 7.450 50 10 KKGE Brc1ccc(I)c([C@@H](Br)Cc2ncccc2Br)c1 1924862512 WSORTVJVDXQJNM-NSHDSACASA-N 545.838 5.890 50 10 KKGE CON=C1C=C2CC[C@H]3[C@@H]4CC[C@](O[Si](C)(C)C)([C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@]4(C)CC(=O)[C@@H]3[C@@]2(C)CC1 1933278128 SZAYOPLRPNKHAR-HLCSPCMNSA-N 608.057 7.793 50 10 KKGE Brc1cc([C@H](Br)c2cccc(Br)c2Br)c(Br)s1 1943904354 WXGZKOVPEYCXTR-SECBINFHSA-N 568.748 7.282 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 2065888723 YGKYHIBTRJJMOU-NSHDSACASA-N 501.842 5.500 50 10 KKGE COc1ccc([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)cc1 2080759242 SDKABLKXTUENDF-ARPOTICCSA-N 515.659 5.937 50 10 KKGE Cl[C@H](C[C@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2085496520 RRYNJNFNGCZBFP-HZGVNTEJSA-N 526.288 6.586 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(I)sn3)cc(Br)c2O1 2120030728 YCCGBXUITIRXSA-INWYIAFRSA-N 515.008 5.318 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(C2)CC32CCC2)c1Br 2127503488 AZFUPQNCZAJOQQ-RCIBXWMZSA-N 533.949 7.442 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2141471187 OVESFDKRZIESBY-VUEFUZIDSA-N 534.311 6.919 50 10 KKGE Cc1nn(C)c2sc([C@@H](Br)c3c(Br)sc(Br)c3Br)cc12 2175243823 QRZQDUJOFHRPCP-MRVPVSSYSA-N 563.960 6.777 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(I)sn2)c(Cl)c1Cl 2217607758 GWYSMODWNXKSBN-MRVPVSSYSA-N 562.279 6.955 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(I)ccc1Br 2218806518 VMXBIUCOTVEKRO-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)c(C)c1Br 2227346432 CWORZUIYYQVLHX-LBPRGKRZSA-N 532.921 6.840 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2240929893 XZLRFKNMJBHKBN-JTQLQIEISA-N 615.183 6.916 50 10 KKGE CCc1cc([C@H](Br)c2ccc(I)c(C)c2)sc1Br 2255979116 KMOAYGVVRRWEQO-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE COc1c([C@@H](Br)c2sccc2I)cc(Br)c(C)c1C 2269161680 ICCMEYDHVJXGKD-GFCCVEGCSA-N 516.036 6.225 50 10 KKGE Fc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(I)c1 2278100375 IYVNYASPFUATCP-ZDUSSCGKSA-N 532.035 6.953 50 10 KKGE Clc1cc(CBr)cc(Cl)c1OCc1cccc(Br)c1Br 2296310106 FFSHTUFMOYNPDD-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](N=Cc1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12 2296604798 HJVPMMQNVLOVDY-JVAVOYNUSA-N 828.145 11.909 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 2296720261 GULAWOUAMSHNIH-UHFFFAOYSA-N 521.758 5.448 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2cc(I)ccc2Br)s1 2300955692 PFSBEHMZQCZYRG-JTQLQIEISA-N 573.846 6.701 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313567904 PJAOJUZGZWDLIJ-UHFFFAOYSA-N 591.462 5.591 50 10 KKGE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2313683256 VSSNJTPSGLHPDP-UHFFFAOYSA-N 546.627 5.182 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314448118 FEBQQEBINZRLBC-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)nc2ccccc21 2314478146 GZLLYIWXYHQPQJ-UHFFFAOYSA-N 542.042 7.723 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@@H](CC)C2 2314571127 BLCDWQZRCRXKHM-MRXNPFEDSA-N 542.579 7.264 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593300 KZCBOJSIRFMIRF-BVZFJXPGSA-N 562.489 5.761 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314618265 KHLOUVMCEVYXGU-OAQYLSRUSA-N 541.611 5.359 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314619823 FYESSALSRGZJQN-UHFFFAOYSA-N 504.977 5.985 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314619867 GKOWNIBAUJUWMO-UHFFFAOYSA-N 530.983 6.249 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314621006 YMAMPIMHHWQVAX-UHFFFAOYSA-N 655.538 6.971 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640711 PVGHNKVYVQLLTG-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 2314736933 CBCDMQXSTJSJRM-UHFFFAOYSA-N 511.361 5.210 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271254 BLVIYXQXRUWONQ-UHFFFAOYSA-N 500.761 5.315 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCC)c(OC)c3)n2)cc1OCCC 2331293503 SJXHQLNPCKPPMC-UHFFFAOYSA-N 520.651 7.301 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 2331294154 WNUIIMFUWZGWLH-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331318393 GVROUANYFYNMGX-SFHVURJKSA-N 503.580 5.231 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1 2331326051 UOIBRWDTDTUPRV-GFCCVEGCSA-N 521.820 6.503 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Cl)cc(Br)c1 2360425630 DUCUVIXXNQMYTP-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Cc1ccc(CBr)c(OCc2ccc(Cl)c(I)c2)c1Br 2381130836 FOGZODKDRVZPML-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 4210379 WVMZMMHLTDCQEI-BUVRLJJBSA-N 512.993 7.025 50 10 KKGE CCCOc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)c1 6167465 RGHNQCZDAPUQHL-BKWZTHLVSA-N 577.703 5.762 50 10 KKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cc(C)ccc2Br)C2=C1C(=O)CCC2 9982273 MYJFWRXLZMJUFO-HXUWFJFHSA-N 500.487 6.236 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 34880020 GLZJEJORZCPFIE-GCAWTOMISA-N 529.559 5.723 50 10 KKGE ClCc1csc(CCCOc2c(Br)cc(Br)cc2Br)n1 37303168 OCZCYOMFQKVJJZ-UHFFFAOYSA-N 504.469 6.181 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(Cl)c1 38651141 PMCWHQXASZROAP-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38682481 GTTBTWYMRKZDHJ-VWLOTQADSA-N 507.011 5.881 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 38684019 UKAAHQFKPSBEFX-MHZLTWQESA-N 518.997 6.355 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1OC 38688639 XVMLZGATWMORKA-SANMLTNESA-N 510.546 5.813 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826616 UPDCCOPFWKAUIT-JJNGWGCYSA-N 525.649 6.945 50 10 KKGE CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2C(F)(F)F)/C(=C\c2ccccc2C(F)(F)F)C1 96602388 JSCZXWWZAWREOE-KLZTUXMASA-N 505.462 6.205 50 10 KKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97915122 IMWDYVLXZBSQHD-AREMUKBSSA-N 505.486 6.277 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 100232690 NCCGDCJDYBBCHY-VCHYOVAHSA-N 601.251 6.643 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1 100233629 QZPRKFBZZGLOBT-PEHSQKLVSA-N 555.469 5.708 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(F)cc1 100236300 LGLFVMVKOJEJGQ-ZTCOUNKMSA-N 569.471 6.258 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 101034145 XTZXMFKHRFJXJB-OQLLNIDSSA-N 524.907 7.913 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240853 APSQMMHCTOPYDK-IEQIIXMPSA-N 502.039 5.645 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C2=O)cc1 101340247 DUOJVNYQLHRSIR-MTDXEUNCSA-N 559.582 5.291 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 101341386 AKWBGSNWEKITKV-STBIYBPSSA-N 566.658 5.428 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1 101367429 ZARSBEOGQLKZFK-PKHCJMHPSA-N 566.585 6.004 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381837 GGEWJRDHJRTBKQ-FLASPHMUSA-N 560.650 6.980 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383403 NSMADOXPMUIYQP-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384929 CUCVSZKMBIWMQJ-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385906 OAOQXMIAFCNWJF-AUSOSSAASA-N 611.094 7.081 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101390843 DRUFKCLDHFLVRH-HHHXNRCGSA-N 573.443 7.120 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101392858 FKJVYWQHMHBCCT-AREMUKBSSA-N 530.964 6.158 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 101397705 HVFZKVWUIBKDMP-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1Cl 101399139 KCSNOQJMTWECSI-HKBQPEDESA-N 607.018 6.471 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] 101494509 ZBECRWVLCCAGRU-UHFFFAOYSA-N 552.684 5.025 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613823 HDSBSFBPEJIQOE-AWSUPERCSA-N 533.411 7.251 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OCC)c1 101673964 BCOXIZBRSQPBHM-HYARGMPZSA-N 550.405 5.969 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 102007004 BYBJUSHBHQWFPF-XKJRVUDJSA-N 580.946 7.477 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1COc1cccc(C(F)(F)F)c1 102347649 SCEWJGMSIMXOJK-WQRHYEAKSA-N 544.551 6.465 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 102779051 QOCDPKJHEHZTPW-GWCPKJKKSA-N 545.076 5.216 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 103879558 ZNBSGIGDXIJMSG-JEPNHJGPSA-N 598.928 8.212 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 114980587 WEBPLKYXUOHWBA-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150431917 GNFMPVNUNUPABZ-XIFFEERXSA-N 639.079 8.257 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(F)cc1 150486118 JFCIBZQBTLRDSS-RUZDIDTESA-N 642.508 6.311 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)sc2Br)c1Br 156107920 XAZZPNUWFSTMPW-VIFPVBQESA-N 507.842 6.659 50 10 KKGE Brc1ccc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc2c1 159677636 KQSQSXLLCNKQLS-CQSZACIVSA-N 539.912 7.673 50 10 KKGE CC(C)(C)[C@H](CBr)COc1c(I)cc(I)cc1I 166241494 CXDAZNGRXRYCRE-MRVPVSSYSA-N 648.886 5.936 50 10 KKGE O=C1/C(=C/c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)SC(=S)N1Cc1ccccc1 205209431 MRFTZYJOZAWUTC-GDWJVWIDSA-N 648.770 5.532 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205650491 HJVJUEGSCQQEBX-IWWZGYLZSA-N 524.617 6.410 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 205781077 JCYSHCDHJWYANH-IKOBEORISA-N 662.768 5.560 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1OC 206238117 RZKUKXGCGGSVOQ-JIVYGXRASA-N 524.683 6.563 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1OC 207200623 MITXJEGRVHIBBY-ULJHMMPZSA-N 560.716 7.722 50 10 KKGE N#C/C(=C/Nc1ccccc1Sc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216493538 PQUZANGIAPAETJ-FVDSYPCUSA-N 530.697 6.591 50 10 KKGE Cc1cccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 254399871 WTGFPVOBAISAQA-UHFFFAOYSA-N 543.627 5.307 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1OC 254449099 COLJIJLPRSCZQU-UHFFFAOYSA-N 515.639 5.201 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254488489 VCXKPZAOILZIDV-UHFFFAOYSA-N 610.917 7.481 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)=C/c1ccco1 254798703 ZKCZIOMSQLRLSJ-ZAQNFBRCSA-N 504.637 5.217 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2c[nH]c3ccccc23)n1-c1ccccc1 254826025 SHNYAPOUQCDBJJ-IBGZPJMESA-N 544.084 5.953 50 10 KKGE O=C(COc1ccc2ccccc2c1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254863424 PXBMCFFLTOOKGK-UHFFFAOYSA-N 506.480 5.848 50 10 KKGE Fc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1Br 380285311 QCFGGBUHGZUENT-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(Br)ccc1I 386076465 BEJUVMPHUGRSCX-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 1083924043 HQLSFJYKGBFBJP-QHCPKHFHSA-N 590.312 6.153 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084277108 BNXQPPZLCZUAPY-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc(F)c3)cc2Br)cc1 1084436218 BBTLQCQPLHQCJQ-RUZDIDTESA-N 573.459 5.929 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084528086 NBTDYVVKZBJIOZ-QFIPXVFZSA-N 697.651 5.652 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 1084619224 GGBXHYFFNUUXDB-KEBDBYFISA-N 506.787 6.407 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1772753491 LNHBSEYOQHVGMD-UHFFFAOYSA-N 501.410 6.063 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684062 MFSXZRAQPLXDOX-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865686963 GFPWAMYUFJXGRW-OAQYLSRUSA-N 567.395 6.994 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865691363 QAQLJHJSPVCJLK-MHZLTWQESA-N 506.606 6.004 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865696714 JJWDETDINQEVSY-GOSISDBHSA-N 549.347 5.338 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705001 JYCWFZOHLNJENN-NDEPHWFRSA-N 575.024 6.639 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712020 NSWPDGICGGIGOT-DEOSSOPVSA-N 576.396 5.803 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872749082 ANKQIBMLPUVKEM-QOCHGBHMSA-N 502.552 5.676 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 1872754943 QRKCXYZQAXFIIC-LQUAGZSJSA-N 501.652 6.624 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915115740 OALLHZIFYBJRGY-LLVKDONJSA-N 510.089 6.089 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922941525 ONWJLYNFEPVINQ-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CC(C)(C[C@H](Br)c1c(Br)sc(Br)c1Br)C1CC1 1924605068 LZCDBCTZTVHLJY-ZETCQYMHSA-N 509.927 7.298 50 10 KKGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2047875892 USEOOZPLWAPVKF-ZETCQYMHSA-N 545.938 5.439 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(I)c1OCc1ccccc1C 2053623440 YQNXNENHTUJHSY-UHFFFAOYSA-N 613.408 6.040 50 10 KKGE CN([C@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12)[S@@](=O)C(C)(C)C 2080743432 GGIJOJJRUYYYEK-GVICWXJLSA-N 579.702 6.810 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(I)c1 2086149866 SYZQBXDMQJALRI-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE Brc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc1I 2094667168 VRWQOXYJXJGFKS-CYBMUJFWSA-N 576.917 7.239 50 10 KKGE CC(C)C1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468421 JRBKWGUFPNGIHS-RAPRUERJSA-N 538.343 7.699 50 10 KKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2169016402 ZVKKSUGFAPTGNZ-IBGZPJMESA-N 559.335 7.223 50 10 KKGE C[C@@H](c1ccccc1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398314 TXJGLYSGAJWPHJ-ISVAXAHUSA-N 590.773 7.976 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2207273379 UJLGIJVXXVDMNM-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2218607018 XYDISEWIUZJGIE-LBPRGKRZSA-N 505.801 6.499 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2233023992 UQVNABCKEXJGGV-ZDUSSCGKSA-N 547.932 7.056 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)o1 2259998354 CJELCXLIRLLUCN-VIFPVBQESA-N 509.764 6.330 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2273108699 FMSHKJGMALUOSB-MYWNEDRFSA-N 582.750 6.599 50 10 KKGE COC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(CF)C1 2281060771 IDAUMGMEECCCBK-SKPUXYCPSA-N 558.305 6.781 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc2sc(Br)cc2s1 2295412904 ANXFADNUWDMSPT-VIFPVBQESA-N 515.517 7.820 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2296004764 XANSEXQENLKLAK-UHFFFAOYSA-N 527.558 6.614 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 2297104897 INPLUNUPIFVKPZ-UHFFFAOYSA-N 564.440 5.125 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc2ccccc12 2313568065 ORISPLVZEVDZTP-UHFFFAOYSA-N 541.445 7.434 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C1 2314476015 HGMRIEWTIMRADC-ZRZAMGCNSA-N 579.751 6.880 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc(I)cc2)cs1 2314486629 DUJRFHJEWZJHFH-UHFFFAOYSA-N 525.327 6.647 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594134 ZPDJNNKPUXUASJ-JOCHJYFZSA-N 528.417 5.338 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314610846 MZWKSEAYUDLVFR-UHFFFAOYSA-N 528.612 6.121 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617502 ZIRMWNXJYDVBDO-UHFFFAOYSA-N 561.465 7.072 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314617623 LCWNWNFWFWZDGD-UHFFFAOYSA-N 550.618 6.494 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2314754121 LEIRIPCZKHAGJQ-UHFFFAOYSA-N 613.066 6.761 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362183 GOVVDBAWGRHGLG-KRWDZBQOSA-N 503.580 5.068 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 2331436130 JYHIOIJNLOHJSQ-UHFFFAOYSA-N 505.640 5.919 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452095 GOYBOKFATNDYRU-UHFFFAOYSA-N 502.595 7.378 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 2331460708 XPVKZWIEPZUGAM-UHFFFAOYSA-N 522.670 8.443 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2340066270 PZHCSKMIBKKPHV-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3c(s2)CCCCC3)c1 2361178508 OPISGBQDNFEDFY-QHCPKHFHSA-N 506.303 7.843 50 10 KKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229882 MLGARDZZGFIHEW-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE C[C@@](CI)(OCc1cccc(I)c1)c1ccccc1Br 2367353863 WWJRPFMBRCMRSB-INIZCTEOSA-N 557.007 5.921 50 10 KKGE Clc1cc(Br)c(CC(CBr)(CBr)c2ccccc2Br)s1 2372264210 CPTVYTSNHGVOSQ-UHFFFAOYSA-N 566.378 7.197 50 10 KKGE FC(F)(F)[C@@H]1[C@@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2377324647 QTKKSHLCUJYXSF-CABZTGNLSA-N 526.960 5.344 50 10 KKGE N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N 3358729 FRJMZSULVARWFS-LPYMAVHISA-N 517.497 5.303 50 10 KKGE N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1 3663274 YGKUCFYIYXLXIG-SFHVURJKSA-N 528.781 6.488 50 10 KKGE Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@H]4CC=C[C@H]34)cc2)c(Br)c1 8685317 FPVBOIBRAJSZDR-MUDXFHQLSA-N 504.222 5.781 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1 38686681 WALMITQWBCJVSX-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 40514517 GHRVVOTVMYOXFG-OVVQPSECSA-N 520.633 6.171 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc(Br)cc1 59471816 QSAKXGJQZHAXQC-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE C[C@H](c1ccccc1)N(CCN([C@H](C)c1ccccc1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 59733691 TYRRWPJYBCYJPG-LQFQNGICSA-N 636.760 9.209 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccccc2F)cc1OC 97914849 OSJXROVOALGNAK-SANMLTNESA-N 505.030 5.033 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2-c2ccccc2)cc1 100211734 ALWULQYLMCNWAM-WBVSYPMYSA-N 615.730 7.351 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101334117 ZBZAAKJCVNDKTD-FUFPDLRRSA-N 583.714 5.105 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101372173 MVWDVSBGPOYCDR-QMXJSZARSA-N 580.725 7.789 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101374674 ITNDSTYQEITQIG-WJOKGBTCSA-N 591.104 7.127 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 101378327 NIDLKCNLUYSAHQ-WJOKGBTCSA-N 540.660 6.756 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101380048 AZOJUJVQAQXFGT-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381279 VZZGLAARLGARRY-MGBGTMOVSA-N 629.540 8.072 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383649 ZRSQEWNWUAFFTE-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101386276 QCYLNWMBXLNDBH-RQZFFVEVSA-N 601.030 6.658 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388401 DWMGWMOBNMTDBF-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1F 101388926 ZFKJIAVQSGZBGW-MUUNZHRXSA-N 542.588 6.302 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)sc2c1 101390113 FQHUIFNWSOLJGE-VWLOTQADSA-N 529.061 7.598 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101395210 KVCQJXMPQPYSRP-MHZLTWQESA-N 575.086 7.488 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)CC1 101395863 YHZNFYXOCVNYJE-MVGOESIASA-N 560.735 7.630 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 101599424 GAKMCDQBQAIHLU-JBASAIQMSA-N 538.442 6.252 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609969 WHSYBYSJVUYPCK-LETMKSKHSA-N 581.716 7.419 50 10 KKGE C=CCc1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)c(OC)c1 102466578 MZIZQYICSKDVOT-KQWNVCNZSA-N 502.567 5.097 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1 102609537 VJKAXCXEOJSMOE-GCQWMNBOSA-N 552.026 7.619 50 10 KKGE Cc1sc2ncn(CC(=O)/C(C#N)=C3/Nc4ccccc4S3)c(=O)c2c1-c1ccc(Br)cc1 103908155 KIJRTLFSKNHXEJ-JWGURIENSA-N 535.448 5.718 50 10 KKGE CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])cc3)c2)cc(OCC)c1OCC 104956697 QREAGKJRNYVBRE-STBIYBPSSA-N 537.569 5.142 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 105057083 WPVCZAKTOIWBSB-FDEZRRJOSA-N 558.811 9.260 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Cl 109836029 CRWVDIIDEHXGIB-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433645 BEAPCEUCXZAMSI-SSEXGKCCSA-N 632.456 7.317 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150461155 WIWHMTYJAUIVOS-YTTGMZPUSA-N 651.513 7.837 50 10 KKGE CN(C)[P@@](=O)(Cl)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 162439791 HRNHOEBQNIMEGD-ZDEVYFDPSA-N 722.186 7.195 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206396538 UHJKEBVQMKLESU-SCYABJIZSA-N 510.590 5.716 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)nc(N)[nH]c32)C[C@H]1O[Si](C)(C)C(C)(C)C 206560310 HKBBGSKYLFVAEC-RBSFLKMASA-N 574.669 5.164 50 10 KKGE in-vitro CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1OC 207200709 ZSOZULXASTYLLH-ULJHMMPZSA-N 546.689 7.277 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 214297402 RICJYYQWOSUDKE-ITYLOYPMSA-N 524.621 5.265 50 10 KKGE CCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 229346872 QPSJMKIFWVWIGA-JBLDHEPKSA-N 507.842 5.294 50 10 KKGE BrCc1cc(Br)c(OCc2ccc(Br)cn2)c(Br)c1 232484718 BNCULRWPNUSCTN-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(Br)ccc1I 236027832 SVOSQGUSEMYVFW-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](Br)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 252616957 KJMGDBGFBNCRQT-UGPXYLSFSA-N 521.624 7.611 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253571094 OMNKQUCBGUHBGB-UHFFFAOYSA-N 573.166 6.560 50 10 KKGE O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 254758001 FZPMNDORIRBCQL-UHFFFAOYSA-N 507.171 5.478 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254797005 CLJWMWKORUVWBI-UHFFFAOYSA-N 583.761 8.089 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OCc1ccccc1 254912806 ZJQNHBCLCZEWKS-UHFFFAOYSA-N 619.791 7.370 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@](C)([C@@H]5Br)C6(C)C)cccc34)CC[C@@]1(C)[C@@H]2Br 256019748 BNGZVJPYZCRFEJ-BTTVBRPOSA-N 616.438 7.896 50 10 KKGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(Br)ccc2I)c1F 396073286 HURUYJFNIUJRKD-NSHDSACASA-N 523.887 6.094 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@H]1[C@H](CCCCCCC(=O)OCc2ccccc2)C(=O)C[C@H]1O[C@@H]1CCCCO1)O[Si](C)(C)C(C)(C)C 504017793 DXVSMWCKXOCOJF-SFKCROAGSA-N 680.990 10.184 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 504786833 BCNXKLAHNOFABR-KPPYNUTESA-N 621.035 11.254 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C)C(=NNC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 575733359 QCDAPCLAWUINIF-VEYYMALKSA-N 527.513 6.250 50 10 KKGE Cc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(C)c(Br)c3)cc2)cc1Br 1083925385 GAJDXHHGDGWCLZ-UHFFFAOYSA-N 556.258 5.356 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(I)cc2)cc1 1084006171 DGBRJPKZZCFNIZ-UHFFFAOYSA-N 505.359 5.821 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1 1084098778 KHXLGORTRCUGQR-UHFFFAOYSA-N 691.569 8.562 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OC 1084131174 KVKIARLNOLFSFM-OQLLNIDSSA-N 524.198 5.582 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 1084166313 BQJZKWLAAXRJRF-GRSHGNNSSA-N 530.249 7.497 50 10 KKGE COc1ccc(C=NNC(=O)c2cccs2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084353954 RCEKUZYPWBGCKR-UHFFFAOYSA-N 538.667 7.367 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl 1084393616 NXFISVRODSAQRZ-UHFFFAOYSA-N 592.671 6.963 50 10 KKGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084472110 OTWUZZAVVKAFFN-UHFFFAOYSA-N 605.476 6.785 50 10 KKGE CC[C@]12C=C(S(=O)(=O)c3ccc(Cl)cc3)[C@H](Br)[C@@]1(C)C=C(S(=O)(=O)c1ccc(Cl)cc1)[C@H]2Br 1614719114 GBBGNNCYWHQNMX-WBADGQHESA-N 655.257 6.966 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Br)c1 1865683408 CRMKENJRKCQWHQ-NRFANRHFSA-N 538.232 6.827 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865685536 JVPMIAXKIMFKQH-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OCC 1865686778 ANCIYJDRBLLYKM-MUUNZHRXSA-N 571.077 6.997 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865689570 SUUNSLUJMQMDAU-FQEVSTJZSA-N 518.923 5.619 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865690234 MBZMCCLNOUQPEK-GDLZYMKVSA-N 534.660 6.621 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865691150 KPGVBKRILQCSCI-FQEVSTJZSA-N 518.923 5.950 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691967 GLGZAZXNSCDUGE-VWLOTQADSA-N 524.577 5.100 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699604 YBJQLCFMZNGQKN-AREMUKBSSA-N 503.562 5.266 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700740 CLVPLESNJKJQMZ-AREMUKBSSA-N 522.605 5.459 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702551 BLHYCIRKAIALHE-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704055 LRCWSSFQKNSNQA-SANMLTNESA-N 514.988 6.083 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707493 XXMCCSMEUQMMJW-QHCPKHFHSA-N 549.414 5.846 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 1865715051 UMGKTQXXIPIQQW-SFHVURJKSA-N 503.322 5.548 50 10 KKGE CC(C)Cc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866864853 JYUMTNWASDLSLS-DEOSSOPVSA-N 543.718 5.776 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867083052 RVPCGGVRHGOEQH-AREMUKBSSA-N 577.682 5.287 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1868342775 ZKXLXBTVKHBDTQ-NRFANRHFSA-N 524.488 6.431 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(Br)c1 1872746570 NTILAXLJDNOZOH-QOCHGBHMSA-N 513.457 7.104 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5Cl)cs4)cc3C2=O)c1C 1872746737 VOOXKUOHUBFUNB-DAFNUICNSA-N 511.990 6.831 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1OC 1872759509 QXGJEZWSLZEERJ-AVNAEPSZSA-N 505.596 5.238 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1Cl 1872794614 MHLNOVZWZZVDRR-UDWIEESQSA-N 502.979 6.764 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc(Br)sn2)c1 1899849588 NWDOMSRVWPCAAA-KRWDZBQOSA-N 518.068 6.731 50 10 KKGE CC(C)[C@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915267216 BYCKWESSUZKPHM-KRWDZBQOSA-N 509.691 5.666 50 10 KKGE O=C(c1cc(Br)ccc1I)N(Cc1ccccc1)C1(CBr)CCC1 1915760401 ODGADAUPUSVUIR-UHFFFAOYSA-N 563.071 6.014 50 10 KKGE Cc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579434 FGUAQOBVASAUHX-SECBINFHSA-N 503.879 6.828 50 10 KKGE CS(=O)(=O)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924600606 FJGAVYGYBJBRSV-JTQLQIEISA-N 523.493 5.767 50 10 KKGE Cl[C@H](Cc1ncccc1Br)c1cc(Br)ccc1I 1924859261 AOSAGQLOBAENRM-LLVKDONJSA-N 501.387 5.734 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc(Br)c1Br 1925547509 UVUHSPOZIKQCBH-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE C=C[Si](C)(C)O[Si@]12O[Si](C3CCCC3)(C3CCCC3)O[Si@]3(O)O[Si](C4CCCC4)(C4CCCC4)O[Si@@](O)(O3)O[Si@](C3CCCC3)(O[Si](C3CCCC3)(C3CCCC3)O1)O2 1933242745 LOBZRAJXPONROZ-NWZNYKEQSA-N 959.697 10.290 50 10 KKGE COc1ccc(C=C2C[C@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 2042438100 DTCSGPTWUPPMPT-SFHVURJKSA-N 541.629 5.046 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C/[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1 2065314080 FZCIIGLMQMDXCW-FPQMWXBMSA-N 549.784 6.743 50 10 KKGE CC[C@H](C(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500482 OMDQKUMKRLDLMO-RDDDGLTNSA-N 570.783 7.855 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2086138889 HRIWDLAMPHSWBK-CYBMUJFWSA-N 564.906 6.924 50 10 KKGE FCCOc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 2189519644 YPAORZWORORJSE-JTQLQIEISA-N 551.895 6.868 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206394738 IXQCHADVWILYLJ-XWRVAKJBSA-N 552.370 8.233 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206400677 SCEVFADZVJUZOT-NSHDSACASA-N 615.154 8.013 50 10 KKGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(Br)cc1I 2207267409 LOJPJWIPIZTAMR-GFCCVEGCSA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2225635927 XYXVKGLDVDQMEE-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)c(C)c1Br 2227357255 VDQIZAZGRGSAEL-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2Br)sc1Br 2256060536 XGKVFDNHNDHWHQ-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)c(C)c1F 2279158196 SHZYARNABMUQMQ-AWEZNQCLSA-N 511.998 6.602 50 10 KKGE Oc1nc2cc([C@H](Br)c3scc(Br)c3Cl)c(Br)cc2[nH]1 2279287073 HTWWJMXEUARINN-VIFPVBQESA-N 501.425 5.993 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(Cl)cc1Cl 2295187733 DTUNASXZEVUVPG-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE COc1cc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC 2295956308 ZWMMLLSUGJFKRC-UHFFFAOYSA-N 540.395 5.681 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(Br)cc1 2297487670 BITVPDKOAQLPFW-UHFFFAOYSA-N 522.752 7.075 50 10 KKGE O=C(C=Cc1ccccc1)NC(=C(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497889 CEYMHCQYNJYOOO-UHFFFAOYSA-O 503.389 6.414 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccccc2Cl)[C@@H]1c1ccccc1Cl 2297504868 GLDDDOXZJFHTAG-HHHXNRCGSA-N 500.429 6.655 50 10 KKGE COC(=O)[C@]1(C)CC(=NNC(N)=O)[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC[C@]13C 2297731181 UEHPPJREDWXIJQ-RSMSHLRHSA-N 581.798 6.447 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1 2313518653 NHHHSTSODYENBY-UHFFFAOYSA-N 617.281 6.886 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313545709 ACLFTFJAWGGGGL-UHFFFAOYSA-N 515.444 6.252 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O[C@@H](C)CC 2313556349 WRICQQLPLBYPCS-KRWDZBQOSA-N 510.432 5.772 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Br)cc1F 2313567126 GTYJWORKIUYUTO-UHFFFAOYSA-N 507.407 5.252 50 10 KKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314463480 YZBOBPDOWCNNLC-NRFANRHFSA-N 527.627 7.269 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591678 AZVGXNGTIWKCMI-QHCPKHFHSA-N 554.455 6.076 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646969 XGAXAASEZKKGJE-LJAQVGFWSA-N 630.726 5.329 50 10 KKGE Clc1ccc([C@H](Br)Cc2ccncc2Br)c(I)c1 2317762542 NAWVWNHXLQDCOW-LLVKDONJSA-N 501.387 5.781 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663737 GSUPFRACDUSCFZ-UHFFFAOYSA-N 535.463 6.779 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)Nc2ccccc2)c1C 2331124014 BVFGXNOZGAWVAE-UHFFFAOYSA-N 533.606 5.056 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331396517 JBRSLQBYKIYITQ-UHFFFAOYSA-N 500.363 5.604 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1Br 2333521114 VABSUENKWMRHQR-NKDUMWKVSA-N 537.937 6.677 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1csc2c(Br)cccc12 2364226910 SEPVHWDNINQDES-SECBINFHSA-N 543.904 6.407 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)ccc1Br 2365186669 SKHMYZWJYVOKSB-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE Clc1ccc(CO[C@@H](CBr)c2cccc(Br)c2)c(I)c1 2365645356 NBCSPKWXKWWCMU-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE Clc1cccc([C@@H](CI)OCc2cc(I)ccc2Br)c1 2367602931 WMVZPVBGKHVKLV-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE Brc1cc(CO[C@@H](CI)c2ccccc2Br)ccc1I 2377593065 DQLTVMJQYHDERT-HNNXBMFYSA-N 621.876 6.509 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 33383231 VEBUJLVMPMARPK-MOHJPFBDSA-N 525.008 5.537 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38686218 BNLRIQYNBAGMFO-NDEPHWFRSA-N 502.998 6.275 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812186 CAZMZDVGEBBRRF-RDRPBHBLSA-N 500.433 5.238 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 40814632 OKUSUVFAHZPQKI-QUPMIFSKSA-N 503.555 5.547 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1C#N 59679879 GPEOLNMWBPDSHL-CCVNUDIWSA-N 504.340 5.418 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 97984016 LJZYUHILMGEOPH-SURCCDNBSA-N 615.863 5.756 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 100883622 BMOLKOZFUXOEKG-YKQZZPSBSA-N 570.045 7.249 50 10 KKGE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 101035792 DAFUESOPGJPQDO-HKWRFOASSA-N 581.185 5.660 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246546 MAKZUSJYVHPAAC-TUJXDINHSA-N 532.065 6.537 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101340520 GOQDUTZZCMUJKI-HNSNBQBZSA-N 612.636 7.189 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101361711 LCFKZTVTXLACIU-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101374504 HIPBDKRVHFJYBU-PMERELPUSA-N 597.495 7.164 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101383055 PAAATXVBYJKKCY-PMERELPUSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384527 VSUNYDLJMNQKCO-DHUJRADRSA-N 582.631 7.360 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1F 101386703 PGRYAGLWZXBRPY-WJOKGBTCSA-N 612.610 5.876 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389803 VXHSCSCZXIHWBW-PMERELPUSA-N 605.449 7.548 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 101394584 SMBBJSRSMNITSW-NDEPHWFRSA-N 595.479 7.183 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 101397241 KFIHSXLAYQAYCY-GDLZYMKVSA-N 547.051 7.135 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(C)ccc6c5Cl)ccc43)cc2)cc1 101397388 QWCOIOZYKGGSEL-PMERELPUSA-N 593.104 8.188 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101397528 FCYNSOGSYAVXPR-SSEXGKCCSA-N 576.992 6.463 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccccc12 101397548 XIAJLVJRJITTAV-PMERELPUSA-N 563.009 7.411 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399423 CECFGGNAMNMIEE-YTTGMZPUSA-N 590.607 7.214 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)OCCCC)CCCC4)o2)cc1 102972394 VNFFVSOWARMLNM-NMWGTECJSA-N 574.699 7.346 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 103742258 OWDPVISZKIIERO-KVHSSYOWSA-N 528.848 6.712 50 10 KKGE Cc1c(Br)c(/C=N/NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 103844556 JXIJFRPMYFXIEQ-OPEKNORGSA-N 584.106 5.911 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 105565665 LHOOHIUIEKUBCF-AQTBWJFISA-N 581.875 7.813 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1Br 148972136 FKQAIVHYTVZCKH-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498037 WNVASWKCVVHYOC-KFUMEKCXSA-N 645.785 6.313 50 10 KKGE C/C(=C\C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1 150566166 CKRDTJUNODZHSU-BQYQJAHWSA-N 638.274 6.335 50 10 KKGE Brc1ccc2c(c1Br)-c1c(Br)c(Br)c(Br)c(Br)c1[C@H]2Br 161139554 MAHYQWMRBATAGD-QMMMGPOBSA-N 718.495 8.726 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 197184087 QJZFVYJIGWEKIR-VZRAHSEFSA-N 919.761 9.476 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205650623 OZMCZTDBUCNPPC-QVBDUPRKSA-N 510.590 6.101 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 205668910 WDOKGWRQQUUWEI-JTICYREUSA-N 604.678 7.548 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)cc1 205782657 AOFMLYBWJOMRHU-XVTDUMKGSA-N 746.845 7.197 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1 206507790 KTKQFIHHTFZFHH-XRIFNLFXSA-N 526.589 5.333 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@@H](C)C2 209398434 JLIBSZFNXIKHNS-LCJWNIEWSA-N 511.603 6.403 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214204837 WPXJRXGESNJENN-PKAZHMFMSA-N 514.585 5.649 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214306154 XKKVHULRDQKACM-BRPDVVIDSA-N 568.743 6.839 50 10 KKGE N#C/C(=C/Nc1ccc(I)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505668 BGHSSGATUIBSFH-ATJXCDBQSA-N 548.428 5.044 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(Br)[C@H](Br)CCC[C@]4(C)[C@@H]3CC[C@@]12C 254417586 VYXNUQWHPGRLNR-GDHPTLLOSA-N 530.473 9.389 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254517631 CXMVDBZIEGIICG-UHFFFAOYSA-N 570.818 10.079 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC 254520451 NXDFWGIMECBKGT-UHFFFAOYSA-N 543.693 5.800 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc2-c2ccccc2)cc1 254522780 QWHYSAJUZDFSGV-UHFFFAOYSA-N 585.774 6.876 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=C/C=C/c1ccccc1 254559223 ZRBKVJICESHKHH-WAEBVTPESA-N 518.646 5.940 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254704583 RPECXBYLDCYIEV-WQOGCJCGSA-N 512.613 5.980 50 10 KKGE C[Si](C)(C)Oc1ccc([C@@H]2[C@@H](CC[C@@H](O[Si](C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 255980833 JHMCCBLFRSWDAL-MPFGFTFXSA-N 553.798 8.256 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025391 ZABGVVSMPPOCTH-ARDMFEANSA-N 728.779 12.831 50 10 KKGE Brc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1I 721593760 LQEGXORACNEDNQ-JTQLQIEISA-N 615.748 7.125 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cccc(F)c2I)s1 721720027 REHMXFPKUPTXIO-LLVKDONJSA-N 519.999 5.885 50 10 KKGE Cc1noc(C2CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)n1 725238548 MJPQFVSZMIZORA-HXUWFJFHSA-N 526.968 5.178 50 10 KKGE O=C(NC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)c1csc(C(F)(F)F)n1 725239158 YWEQMPQQWLESOW-FQEVSTJZSA-N 639.043 5.976 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1OC 725420548 RTXRQSQUOFSIAU-UHFFFAOYSA-N 578.090 5.825 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 1083818481 XORYGFNCJVGENP-NCNBACBDSA-N 795.014 9.608 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 1083895517 GSBGFKMFKZVXNG-UHFFFAOYSA-N 548.220 6.854 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1083932335 OAAKXHHMSMHGRT-UHFFFAOYSA-N 500.618 5.983 50 10 KKGE O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1083953802 ZGHWQCQGIIIMCQ-QAHORGPQSA-N 568.427 6.084 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1083994730 WBUKOMXYJRJTSM-UHFFFAOYSA-N 514.489 5.866 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 1084006700 BJUHNRAGDFQIJJ-HKBQPEDESA-N 543.639 6.175 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cccn1-c1ccc(Cl)cc1 1084025324 KRKFWWJHNGJFGM-UHFFFAOYSA-N 511.601 5.185 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084044176 CPZKTWARXPJJSD-UHFFFAOYSA-N 629.498 6.597 50 10 KKGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(C(c4ccccc4)c4ccccc4)c4ccccc43)c2cc1C 1084078545 WEAUDFJBRAOQMF-UHFFFAOYSA-N 513.601 5.310 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1084085650 UXWVXUFALGQVQT-JZWJADFXSA-N 613.652 5.570 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1C 1084102204 VUADOPKEFVTMKQ-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084125971 CPROVYXNUSLTJJ-UHFFFAOYSA-N 604.729 5.082 50 10 KKGE COC(=O)c1ccc(C)c(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 1084299596 CGLKUKNYWBGNKC-UHFFFAOYSA-N 544.655 6.719 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084303270 UABGIGWKRBSJIU-FYJGNVAPSA-N 646.298 6.028 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084333779 POFJUSFXNWUSRB-UHFFFAOYSA-N 538.651 5.909 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1 1084365285 AHRJDGDGLAKFFL-VCHYOVAHSA-N 546.248 7.198 50 10 KKGE COc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 1084397157 DOVUQEQMYMTJMY-UHFFFAOYSA-N 529.666 5.092 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084429453 UFRRMQNSKNVCTH-VWLOTQADSA-N 527.448 6.273 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084622504 UQQPSAWRJZZJCV-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@H](O)[C@H]([C@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848432556 FZTPBALCQSLXDA-OJZQYNOBSA-N 769.218 10.984 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865690766 AMVASHWFSQAHAP-RUZDIDTESA-N 569.475 6.327 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OC 1865695665 GEWVANXAUOXCRZ-MUUNZHRXSA-N 571.077 6.997 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865696181 XYIJDBBNWXEQTP-NDEPHWFRSA-N 514.585 6.318 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696959 LZQCPEKWABUHQX-NDEPHWFRSA-N 541.051 6.326 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699714 APRWYBVUNMLJCN-RUZDIDTESA-N 542.426 6.613 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700836 FMUKNVUCZKISLH-AREMUKBSSA-N 545.470 7.310 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1C 1865702997 KHTRBZPPCFLRMM-LJAQVGFWSA-N 541.051 6.398 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712048 OQGNGCCWMFOODI-PMERELPUSA-N 558.613 6.543 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712480 ZTLOESRKQAXEOO-JGCGQSQUSA-N 575.068 7.210 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674893 ZPKQTDMUDXKVEK-AREMUKBSSA-N 544.608 5.280 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867118019 YDMVUEOAIYSNPX-GGXMVOPNSA-N 559.613 6.565 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1 1867143426 MBJPMIWWQIFCGV-LMSSTIIKSA-N 570.512 7.040 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)n2)cc1 1868321024 SJDQQIUWEOQYIB-JGCGQSQUSA-N 553.735 8.505 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)O[C@H](c4ccc(F)cc4)C3)n2)cc1 1868321299 YQQXFCGMXTVOQA-FNZWTVRRSA-N 511.626 6.874 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872729044 KMLWMQLRLJCBIC-OVCLIPMQSA-N 527.316 5.965 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751220 XLYPMSSOOANKRH-HHUUSFLGSA-N 517.676 6.318 50 10 KKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753546 CJZJTTKCBSVUKX-OHYPFYFLSA-N 510.659 8.552 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1872757139 RXVUTBMCRVIQPW-XDOYNYLZSA-N 507.999 5.982 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1923074858 SKNLBNINIVYRBD-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)c(Br)s1 1939447570 VXFNCZDIJAEFCH-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)s1 1945323371 QYYJEDBJWNNFNU-NSHDSACASA-N 503.879 6.828 50 10 KKGE C[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085495172 IGHXXIMVFPYAJX-KNODYTOMSA-N 548.316 5.450 50 10 KKGE C[C@@H](Br)CCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2132762751 YWQVAJOZXUUZEC-SSDOTTSWSA-N 563.857 5.113 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468581 LJULGLYQBMLAMY-IAPCHEMPSA-N 550.232 7.215 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)oc1Br 2141472916 JJWAVXPSWUPNFF-NSHDSACASA-N 645.603 7.885 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2202370673 KCQFMSYICSOYNW-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE Cl[C@H](C[C@@H]1CCC12CCC2)c1c(Br)c(Br)cc(Br)c1Br 2206398414 UXNDXOZRKFEBTH-GZMMTYOYSA-N 550.354 7.987 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC(CC3CC3)C2)c1Br 2206398586 WNPWBTJCYWRHID-KJHLLKJSSA-N 594.805 7.999 50 10 KKGE CC[C@H]1C[C@H](c2sc(Br)c(Br)c2Br)C[C@H](Br)C1 2216419084 JNGQEWJASRUNSS-BIIVOSGPSA-N 509.927 7.093 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237456364 UQVJGQLEWVNUKG-JTQLQIEISA-N 505.834 7.336 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 2256136376 KCXDNXWBSOZYKX-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(I)c(Br)c1 2288059660 HXNRKRCHEYMLON-JTQLQIEISA-N 517.043 5.325 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1 2294168500 OEVJFAWUTBXPBT-UHFFFAOYSA-N 541.445 7.298 50 10 KKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2295948635 ZRDNNQOYMXKIQR-UHFFFAOYSA-N 508.308 7.219 50 10 KKGE COC(=O)C(=C(O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297736384 BUKPKAJDYUQLRP-LJAQVGFWSA-O 635.335 6.932 50 10 KKGE Cn1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)n1 2299489455 PLTJAMYDMLQSQU-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1 2313545757 CQCJTAUCZMCDJQ-UHFFFAOYSA-N 566.883 5.946 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570754 FOOZKNLYGORFOW-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630592 OVHYPXYQUUTHGW-UHFFFAOYSA-N 531.468 7.354 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314450471 ZRDBCQLFZJCVRD-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592301 QIMPNDVDGBGNHU-RUZDIDTESA-N 536.484 6.929 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592490 VLVHQFQMHWVOIL-RUZDIDTESA-N 552.483 6.766 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593718 RXGMGQWQLXQISF-RUZDIDTESA-N 546.490 5.809 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 2314790151 MWSCINUQTYGAGR-UHFFFAOYSA-N 566.246 5.028 50 10 KKGE N#CC(=CNc1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607109 GELFDVDHPDFTJQ-UHFFFAOYSA-N 501.428 5.202 50 10 KKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1 2331123011 QRJJNOGEGZRKJZ-UHFFFAOYSA-N 559.052 5.545 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1F 2331337116 ZPLJIUQQIFKZMG-UHFFFAOYSA-N 503.555 5.836 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1Cl 2331378565 BINYAHZQVSBTJQ-UHFFFAOYSA-N 507.011 7.286 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCc1ccccc1C 2331455641 CPRAREJHYRIRCC-UHFFFAOYSA-N 500.595 7.308 50 10 KKGE BrC[C@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2349847351 IVGYOPQYBXDMGH-HNNXBMFYSA-N 501.044 5.487 50 10 KKGE CC(C)(C)[C@@](C)(CBr)COCc1ccc(I)c(Br)c1 2352102912 BUVYNLFBDHDSSI-HNNXBMFYSA-N 504.044 6.018 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1C 2360483662 LADUEWRNBZESTQ-LLVKDONJSA-N 525.890 7.820 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2Cl)c1Br 2362224898 NTGBXRYYCQGXIV-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(\Nc1ccc(Cl)cc1)SCc1ccc(Br)cc1 3262829 DEGWTHDJKGTXDT-LNVKXUELSA-N 533.278 7.475 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 12492027 VSBZQQDAULLBPZ-UHFFFAOYSA-N 505.618 5.830 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649868 WLWZGXAKARUFRC-OLILMLBXSA-N 510.634 6.699 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38660254 WZYMDFJSHSCUNX-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCCC)c1 38683020 SJOCGJBCZYCXQP-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687130 FBSSEPHLNPPNAE-DEOSSOPVSA-N 515.034 7.290 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38687570 MJZZLNFIDPXWNC-LJAQVGFWSA-N 522.601 6.974 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 58895280 NXTUUTPFWPDMPB-VJRIHLSISA-N 516.638 5.674 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 100231976 ATAYRFVQWQELOR-QGFINPQDSA-N 561.476 6.544 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 100234093 CCOUKTOTZMLMEC-RSBFIHLVSA-N 557.607 5.552 50 10 KKGE C=CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844239 PEADOGOBISYCDP-XCJZKWSYSA-N 536.868 6.162 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243376 YBDBRYCWRSIXNR-PEOCIFPVSA-N 564.538 7.420 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367243 ZIZOPMXWFJZZGH-SSEXGKCCSA-N 534.568 5.720 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OCC)c2)cc1 101373977 IZKSMTRCDOMFDE-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 101376393 IRSHXTXCZXDXJC-GDLZYMKVSA-N 533.024 6.420 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101378983 LHFPZYFLCWASEA-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379012 AQAMXBLGFJOZTI-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380365 GJMCVXNACVSDMU-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1Cl 101390390 XLOLUPDDFAZCOM-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc(OC)c3)CCC4)ccc21 101612738 RPFQOQXTBXHLGS-YQCHCMBFSA-N 534.616 6.447 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1OCc1ccccc1 101713690 GWTJVDLJEJSSBQ-AMVVHIIESA-N 604.339 6.760 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101727611 JYYGIGBPEOVLAH-XODNFHPESA-N 528.486 6.938 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1 102230307 IHEICOGHKDEOTD-YVLHZVERSA-N 573.318 5.472 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 102934997 NUQQMVWXELVPDP-PXNMLYILSA-N 516.312 6.174 50 10 KKGE CCCN1C(=O)/C(=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21 102960304 IAJTYGQSOJDVGV-ZXPTYKNPSA-N 543.421 5.564 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c(C)n1CCC(C)C 103071038 MSQDYZIQKPTYPM-LKWZWFHSSA-N 547.055 6.226 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4ccc(Br)c(C)c4)c3C)sc3c2CCCC3)cc1 103794551 FNXSPHYVJGVDRZ-ATZGPIRCSA-N 618.601 7.822 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1 103888331 OAHGJXJBWZZNKJ-MTJSOVHGSA-N 582.394 5.821 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(NC(C)=O)cc1 104602135 VZRUHCQWGNMLBX-PGMHBOJBSA-N 542.617 5.657 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1csc(I)c1)OCCO2 124420139 UWFPTSOZPCFQPW-CYBMUJFWSA-N 515.992 5.371 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 150430584 DYFDNDDWOCWNCV-XLBBBYAWSA-N 728.321 5.566 50 10 KKGE CCOc1cc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442539 RENFIDQNNVSQDT-UHFFFAOYSA-N 672.573 5.204 50 10 KKGE CCCC[C@H](CC)CO[Si](CCCNCCN)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC 195868703 JJJXKZYKNMHSMY-NLDZOOGBSA-N 516.928 7.563 50 10 KKGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](C[C@@H](Cc1ccccc1)C(=O)O)O[Si](C)(C)C(C)(C)C 196222501 UEVGWVOLUCPPDE-TWJOJJKGSA-N 527.778 6.846 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205780072 LWYFHNWCFITPST-NQFKHPPRSA-N 660.752 5.338 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C1=O 214241039 CDLSUJTVOAXMRA-OFWBYEQRSA-N 550.703 7.199 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214408339 GOQDUTZZCMUJKI-APTWKGOFSA-N 612.636 7.189 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@]2(C)[C@@H]([C@@H](O)[C@@]3(O)C[C@@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 247530435 OPJUXNZWUHWYAM-GILPNSFESA-N 741.200 7.135 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc3ccccc3c2)cc1 254836418 GTFRCTNMYDSLNT-UHFFFAOYSA-N 504.542 5.750 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c3ccccc3cc3ccccc23)sc2c1CC[C@H](C)C2 254875284 ZOGCTVFYUNDNOV-KRWDZBQOSA-N 513.619 5.445 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 256019843 IACTWMDTMFCIDM-GAWTXKOESA-N 726.550 8.165 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)c(F)c1F 398420727 BXHQYMDBGGWSRF-LLVKDONJSA-N 540.342 6.562 50 10 KKGE CO[C@@]1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC 504517112 RSCYVRLLTJPYTP-PZMYXVABSA-N 572.622 5.761 50 10 KKGE COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CCC2 725238234 QWTPWAINXKFHQI-XUZZJYLKSA-N 537.003 6.282 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 725382265 LZLZNWGOZFLRNY-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 725428704 SWMKQEISKLSABZ-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)C[C@@H]7SC(=O)NC7=O)CC[C@@]6(C)[C@@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@@H]3C1 1076011193 YMOJHOVBTLWOMT-JMMWJNAVSA-N 705.756 7.562 50 10 KKGE CCCCCCc1cc(-c2ccc(/C(C#N)=C(\C#N)c3ccc(-c4cc(CCCCCC)c(Br)s4)s3)s2)sc1Br 1082181926 KTCFCHRKDGWDPE-WCWDXBQESA-N 732.698 12.995 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 1083916174 BXSCPTOXZDMYKN-UHFFFAOYSA-N 623.938 8.083 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084000388 DTYUOXWPXIIATD-XMMPIXPASA-N 551.437 5.449 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1084025839 WNYONIUQNLLVSU-UHFFFAOYSA-N 671.617 7.025 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084047301 SXSWADYAAARHTL-RQZCQDPDSA-N 550.667 7.842 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084120475 QYHCIVIFLQJYKE-UHFFFAOYSA-N 612.535 6.317 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc([N+](=O)[O-])c1 1084490419 XDNIUBZOCVRWRU-UHFFFAOYSA-N 524.411 6.231 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2-c2ccccc2)cc1 1084503349 UWPANVNWVCSQGG-OOAXWGSJSA-N 606.509 8.840 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1084635098 LEENJDIMZWSBAJ-DHDCSXOGSA-N 532.767 6.688 50 10 KKGE O=C(N/N=C1\c2ccccc2C[C@@H]1NC(=O)c1ccccc1C(F)(F)F)Nc1cccc(OC(F)(F)F)c1 1614970654 DFJMTGNYRWXXGL-FRUURHCZSA-N 536.432 5.485 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747021 KCGBODUHGRPKJF-UHFFFAOYSA-N 515.795 5.430 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772755017 GXHJCJKLQADTTB-UHFFFAOYSA-N 510.866 5.867 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2(C(=O)OCCCC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848433155 USHNKMAEUOADPZ-FULJDSJXSA-N 741.259 11.863 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3c(F)cccc3Cl)cc2)cc1 1865693912 RUNNAJRQEOQWQJ-XMMPIXPASA-N 568.958 6.848 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698119 LACWZUGZYPUABI-QHCPKHFHSA-N 571.903 6.314 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865701918 IFBFYQHQXDFOLD-HHHXNRCGSA-N 540.067 6.325 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702740 DBTSKXIKFARSFA-HHHXNRCGSA-N 529.015 6.392 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703996 KIKBHRPJLMENIA-AREMUKBSSA-N 565.888 7.582 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705002 JYDRIMYJFUOROI-AREMUKBSSA-N 579.415 6.132 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705538 YSOKMXWBTVSTLS-MUUNZHRXSA-N 540.579 5.985 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866866095 DOQASFZXSFYSQE-UIOOFZCWSA-N 575.785 5.655 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)nc(O)c2cc1OC 1872727478 DFEAWMKSOAKIBJ-LZYBPNLTSA-N 587.257 7.065 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872755758 DRFUXRDNCIKMFX-NMWGTECJSA-N 517.478 8.075 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1C 1872756465 LBNBNSTWVNAEBA-PNHLSOANSA-N 505.599 6.794 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758348 WLYVZOZDCSYGLW-PEZBUJJGSA-N 500.945 5.302 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OC)cc1Cl 1872793531 FDCWLCZDQXXHMM-YBFXNURJSA-N 523.441 7.777 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873795640 VDFLJRWIVMLXML-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE O=C(c1cc(Br)sc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915312782 LCLLCPHETMMWMO-CQSZACIVSA-N 522.100 6.089 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(I)ccc2Br)c1Br 1922946939 WZKSHXLYUIIZAZ-JTQLQIEISA-N 585.324 7.277 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1scc(Br)c1Br 1923065564 DWAVNENYVWPBJD-RXMQYKEDSA-N 564.771 7.841 50 10 KKGE CC(C)(CBr)Cc1cc(Br)cc(Br)c1NC(=O)OC(C)(C)C 1951564324 IEVZVBMWYVNWKT-UHFFFAOYSA-N 500.069 6.522 50 10 KKGE Brc1ccc([C@H](Br)c2cc(I)sn2)c(Br)c1 1994135056 KJMJSCBIMXNFMA-JTQLQIEISA-N 537.840 5.757 50 10 KKGE CC(C)(C)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2043038068 XTBXNJATTRDCGI-QXUHLLMWSA-N 523.954 7.544 50 10 KKGE CCOC(=O)c1c(N=CN(C)C)sc(C=NNC(=O)c2ccc(Br)cc2)c1-c1ccc(Cl)cc1 2069682216 HIUNKMRHKMNRSO-UHFFFAOYSA-N 561.889 5.993 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)co1 2085493478 CHFORLLKXKYEQU-VIFPVBQESA-N 631.576 7.576 50 10 KKGE C[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085496403 WJXBGMYNHFOYMG-KTCWOMIQSA-N 538.221 7.215 50 10 KKGE CC(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497931 JQKWNOGZWUAKPV-CVJICSNFSA-N 568.767 7.465 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1ccc(I)c(Br)c1 2117888768 UFPUABRNEUSCFT-SNVBAGLBSA-N 550.016 5.167 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC(F)(F)F 2123246965 OXLHXRXKBNGKKK-UHFFFAOYSA-N 515.189 5.406 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 2138251765 KVEXGIPPBZRURQ-JTQLQIEISA-N 509.872 7.026 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(COC2)C1 2141469188 SLVTXJOOWVVROV-LBPRGKRZSA-N 538.299 6.443 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172559625 JERWXXHUJRERAJ-QTTZVWFDSA-N 501.465 6.734 50 10 KKGE CCCCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 2175003622 FBSXYGBKNQNEIJ-JIMOISOXSA-N 540.994 5.493 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(F)cc2I)cc1Br 2202904286 PHOOOLSDXCKVDE-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397210 GOTWOTCLQWYBFQ-RUPFFVNYSA-N 572.338 5.307 50 10 KKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 2219698867 GAINOACVPSOXGL-HTRCEHHLSA-N 525.926 6.819 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(C)c(I)c2)cc1Br 2224621969 LSZRGGFYESPJJX-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)s1 2224789364 NUDRCXMYZADQTG-SNVBAGLBSA-N 509.510 6.962 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(C)c(I)c2)s1 2233018381 DHVCDXKBLHJHCG-CQSZACIVSA-N 530.063 6.444 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1C 2256331785 QACNRMJXCDLQCR-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1c(Br)cccc1Br 2277954966 HDGNRNMQXMWKER-CYBMUJFWSA-N 532.295 7.259 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2c(Br)cccc2Br)c1 2277963661 WXRRBKZVXNUDJZ-CYBMUJFWSA-N 576.746 7.415 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198162 BFGHEDJFHVAKMB-DEOSSOPVSA-N 601.353 6.541 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293707279 ZSQUQKITEGEFQF-UHFFFAOYSA-N 525.678 6.148 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293760660 BIUBKOKUTOAAOF-UHFFFAOYSA-N 529.666 6.131 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12 2297533944 GNRLMNOGGHOHEQ-UHFFFAOYSA-N 619.415 6.876 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)[nH]c(C=C(C#N)C(=O)OC(C)C)c1Cc1ccc(Cl)c(Cl)c1 2297555014 BOWNBWKISOZDIW-UHFFFAOYSA-N 511.405 6.615 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1scc(Br)c1Br 2299504861 QTIFNZGEQZGMNM-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCC[C@@H]1I 2302813889 LGVLWGHDKKXBCN-QWHCGFSZSA-N 520.974 5.317 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521440 OGVLYILIZVYTNJ-UHFFFAOYSA-N 597.409 6.340 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 2313562216 JKAPWZQEWRAFAK-UHFFFAOYSA-N 562.739 7.703 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)sc(C)c1C 2313570976 KPGUTROBIUACIA-UHFFFAOYSA-N 516.450 6.802 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc2ccccc21 2314475869 DUCXGYPMZVOQED-UHFFFAOYSA-N 562.699 6.055 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314610624 KJIGGWMDASNBTE-UHFFFAOYSA-N 546.602 6.260 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C(C)=C(C#N)C2=O)cc1OC 2314616887 MDJWYLLRFLZBBJ-JOCHJYFZSA-N 600.675 5.715 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314618016 FWYYIUHPAGODGW-QHCPKHFHSA-N 504.546 5.057 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331342958 IGJPBIJQKFBHBR-MHZLTWQESA-N 519.626 6.634 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(Br)c1O 2331480295 FSPJXDDDNJTPOH-UHFFFAOYSA-N 512.212 6.666 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1I 2360434544 JGRCTPKMTGGFLI-LBPRGKRZSA-N 552.834 7.292 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1c(Br)cccc1Br 2360482339 XBXZABSGCOOKFO-LBPRGKRZSA-N 570.703 7.904 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2scc(C)c2Cl)c1Br 2365189000 QHWQHUDMIDTLNN-LLVKDONJSA-N 503.481 7.036 50 10 KKGE N#C/C(=C/N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1 2153977 XUBIKOOEACNJIF-JWGURIENSA-N 541.503 5.170 50 10 KKGE CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccc5c(c4)CCCC5)c3c(=O)[nH]2)cc1 2614504 ODSVQPVPWQMAER-FJEPWZHXSA-N 530.719 6.070 50 10 KKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 27550541 ILFWRIFCIOUSCJ-NIYFSFCBSA-N 519.592 7.082 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38608666 COQAIKYXXMBDHO-VULFUBBASA-N 520.539 5.918 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1)c1nc(-c2ccc(Br)cc2)cs1 39868006 HVUSUUKJKZFXGX-OTIKAVQOSA-N 503.377 6.849 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 40530054 UACVAQBVHSMVLW-YTTGMZPUSA-N 518.613 6.775 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815470 HWAUUXCRMFVXSP-WOPRALEBSA-N 517.629 6.168 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC(C)C 40924566 OFDABNCFCDDTAK-BHGWPJFGSA-N 520.474 5.611 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1OC 40927069 IKAFOCLYDMATLP-RCCKNPSSSA-N 510.059 7.285 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 59292086 NQYDHGLZNVZTMG-WOJGMQOQSA-N 516.222 7.189 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 59680280 IKMWXKUOJWVRNW-GOJREDGKSA-N 528.700 7.922 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 96572351 BDTPACHQOZSPKC-LXACPZIISA-N 509.400 5.813 50 10 KKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3c(C)cc(Br)cc3Br)ccc21 100054992 XJNPXAHCWOLEEY-UVHMKAGCSA-N 543.259 6.177 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100189141 VLZZZKJNBZHSNM-UHFFFAOYSA-N 575.529 5.096 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 100235281 QCTUUBLLZYDDTF-NJUOBVAOSA-N 615.322 6.025 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 100236330 IBAHEWJCRRJEQY-DVMDLWDRSA-N 573.459 5.929 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)cc(Cl)c1)[C@@H]2Br 100921773 SETOXOJHJUZSQB-RLCCDNCMSA-N 548.928 6.618 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241152 AYJAWTWMMQAORM-NLTRVXJZSA-N 548.462 5.200 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241270 QJAOVJVEZUIYCC-IEQIIXMPSA-N 551.590 5.847 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242343 FLRDWYYOMNAACD-WTALZMIHSA-N 561.969 5.703 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101337746 SULPGSUZKWNTQK-NTESWFFVSA-N 608.673 7.611 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 101362280 CONSOIYDNRIKMH-JGCGQSQUSA-N 530.624 6.821 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101369773 RVFNBQZYJRWNRY-IBGZPJMESA-N 598.697 7.719 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1Br 101370200 KKARUGOJXROYLU-QHCPKHFHSA-N 546.204 5.958 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc(OC)c1OC 101379139 ZMDMLVCDRLQLQU-PMERELPUSA-N 599.039 6.382 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380284 HPGHVJFPGYOFCM-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101388950 MPLPLTBZGHFPRW-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101388989 IRDUVZKKORDELE-JGCGQSQUSA-N 611.582 5.914 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101399764 HUNGYANNZFQASO-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 103003427 STXUEXBIIWLYLK-ACRNLXFHSA-N 553.423 5.170 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743106 ZPNWKTIRAOCRJC-RMNOPMHCSA-N 536.484 6.087 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 103878609 NHILGEAIRDIRKI-RWPZCVJISA-N 534.366 6.175 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151509 KRJFKEWJSLGZNG-CGCPUXQNSA-N 544.684 6.605 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(I)c1 109836467 ZBUACZGTOXMVFM-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)cc1 150410954 DLLWQLJLJMJCFF-XFBUIYPHSA-N 676.795 5.808 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 150418939 LNNKJGJJDLPLLH-UHFFFAOYSA-N 686.220 5.310 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 150430429 HWTZFXVSDIEULU-XACFZUKVSA-N 729.309 5.746 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433414 CYYZPVQJISAPHJ-SSEXGKCCSA-N 666.901 7.970 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 150455572 JTBJDXQKNLCYDV-HSZRJFAPSA-N 662.740 8.948 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)sc2c1CC[C@H](C)C2 150485832 KXBWPCRCAZELIH-FBDKIGRLSA-N 674.219 7.452 50 10 KKGE Brc1cccc2c([C@H](Br)c3ccccc3I)csc12 163388428 MTWNZVPKHZXUCU-CQSZACIVSA-N 508.016 6.753 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@H](CC)C2 209399794 XLEKMYLVTQKJHD-GDGUIRGDSA-N 519.579 6.154 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214379720 ZPMWPTBFDDCUFU-CHZCIXPMSA-N 554.650 6.272 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc(I)ccc1Br 236030817 VFBYFCLUOOMODC-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(Br)sc1Br 236038326 WOKIIANVMDQOFH-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE CC(=NNC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 252596387 CIXGXIZWZBMSRX-SFHVURJKSA-N 598.885 5.809 50 10 KKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)C4CCCC4)cc3)c3ccccc3n2)cc1 252620264 MAMSWVBGLYPSSG-UHFFFAOYSA-N 520.633 6.583 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 254752607 PTHLSRCORWKDQD-UHFFFAOYSA-N 521.646 6.119 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 254828243 IUMXFZWJHSRCCE-UHFFFAOYSA-N 768.876 7.247 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(Br)cc2)CC1 303741865 RMNNDAAEZUHRFD-UHFFFAOYSA-N 510.210 5.170 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)N=[N+]=[N-] 504160234 XIAFYLGSFHUSBQ-KCHLEUMXSA-N 572.040 10.530 50 10 KKGE CC(=O)OC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 685945425 NSVDCVCPYBXBLC-OHZVWYPUSA-N 540.785 7.665 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3sccc3I)c2O1 720031026 GUBPDZDQVGHXBK-KRTXAFLBSA-N 514.020 5.923 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1 725384785 GKSWHMFBQGEAMP-UHFFFAOYSA-N 668.215 7.786 50 10 KKGE CC(=NNC(=O)CCCCC(=O)NN=C(C)c1ccc(Br)cc1)c1ccc(Br)cc1 1084120517 HFRSDVAJUCGYQP-UHFFFAOYSA-N 536.268 5.153 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084122680 JFZJWBJJAWDDSW-UDWIEESQSA-N 586.269 7.307 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084152744 WIZYNIUJOGGSEW-UHFFFAOYSA-N 587.098 5.621 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1C 1084204254 IAGBVRNUMCNBIH-UHFFFAOYSA-N 597.568 6.748 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1084207059 WXYHGNKDVQIGLY-UHFFFAOYSA-N 554.477 8.102 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1 1084510862 ZACAKMUCCWAGLJ-UHFFFAOYSA-N 629.964 5.864 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 1084524523 GJHDVBMYBXNRIY-MUUNZHRXSA-N 561.476 6.544 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 1084530386 ILSPNQKSNKGXPV-RUZDIDTESA-N 515.437 6.243 50 10 KKGE C=C(C)[C@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 1565536199 PKAPKLCGHVIAEA-BIWYLLTASA-N 598.869 6.889 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773626 UHCDRCBBCZLXBO-QVOWMPCESA-N 641.186 12.671 50 10 KKGE C[C@@H](N=[N+]=[N-])[C@H]1O[C@@H](Cl)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1848435224 KAPPXTKBLHJLHL-HPFIIRAVSA-N 508.018 6.405 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683446 DWDOPACODAYIJR-IBGZPJMESA-N 514.221 5.568 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688265 OBWKSZZTBJCJTO-LJQANCHMSA-N 550.240 5.826 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1865689638 VDHYAUXTQLSUMR-AREMUKBSSA-N 567.860 6.947 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690506 TUOIPZOUVXTYEL-GOSISDBHSA-N 509.315 5.874 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865691277 OGWHTKWBMAXBGE-NDEPHWFRSA-N 500.643 6.043 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865693153 HTSQAJNSSWUNBU-HKBQPEDESA-N 572.640 6.933 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865694856 DFUZDHUYIQEDCS-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701293 ROCMKOGXCPFPJS-SANMLTNESA-N 528.012 5.679 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865704937 ILVHJVAANFAFEA-VWLOTQADSA-N 512.953 5.280 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1OCc1cccc(C)c1 1865705589 ZRFANZCBOIQIGH-SANMLTNESA-N 547.442 6.602 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865707152 PEJDKRCMHOBJOH-HKBQPEDESA-N 537.667 6.843 50 10 KKGE Cc1ccc(-c2cc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866826035 MGNAIUUSQGEJJE-MHZLTWQESA-N 555.729 5.948 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866985950 XIUSTKIJYAGWMB-RPBOFIJWSA-N 544.479 6.811 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072434 UNPAKTPLVQBJEF-HHHXNRCGSA-N 588.780 6.381 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(CCN3CCN(C)CC3)c3ccccc3Cl)n2)cc1 1868320591 LILMMHSDTOHCMZ-UHFFFAOYSA-N 570.166 6.808 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4ncncn4)CC3)n2)cc1 1868544885 MTMKNQFTZULBRV-UHFFFAOYSA-N 522.682 6.327 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872754249 JXPPZWKNGRIMSR-JZBNPYPUSA-N 519.648 5.646 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c5ccccc45)cs3)cc2C1=O 1872758685 LNQQPKZITDSLHJ-BTAOAOQOSA-N 509.587 6.316 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2csc(I)c2)c1Br 1924580406 ROIGQJKHZVNIJH-LURJTMIESA-N 621.777 7.186 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591564 SEWYAEBKOCOSKI-HTQZYQBOSA-N 525.970 7.934 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1Br 1924602558 ZAONJDUTWSLIGY-UXCLJVHYSA-N 549.992 8.078 50 10 KKGE CCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025779086 CIMTWWNNXITXBY-LLVKDONJSA-N 554.740 7.363 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1 2053623211 LVAHAPSJKCSHGU-UHFFFAOYSA-N 573.318 5.472 50 10 KKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2069067406 DHYIUFXZKVEUPF-UJURSFKZSA-N 529.864 6.907 50 10 KKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(I)ccc2Br)c1 2093074713 OVZWDFFXQCIOBX-LBPRGKRZSA-N 536.048 5.003 50 10 KKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470099 DUXFHXMYVAPXRE-PWSUYJOCSA-N 592.736 7.649 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2141471182 OVESFDKRZIESBY-KNYLPSAMSA-N 534.311 6.919 50 10 KKGE Cn1cc(Br)c(CC(CBr)(CBr)c2ccccc2Br)n1 2143632878 FCPGHUXEVQOLCN-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203685302 LTQMAWDHDRWTPE-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)cc(C)c1Br 2220199026 SPBDSECQJQVKSB-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2226587595 ZDXKHIJJRFKVLU-MRVPVSSYSA-N 515.826 7.295 50 10 KKGE Fc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)c(F)c1Br 2236103887 VISTYJDURTTYOT-GFCCVEGCSA-N 540.342 6.562 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)c(F)c1Cl 2264605493 PPNIOGLGRUUCIM-ZETCQYMHSA-N 515.826 7.342 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293198212 JGGFWUDCQZHTAG-JOCHJYFZSA-N 522.399 5.653 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCCCOc1ccccc1 2295201919 QWXANYQENZEUFX-UHFFFAOYSA-N 520.010 6.352 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295267862 RFZNOKHPUGAVEO-CYBMUJFWSA-N 501.871 7.506 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534429 DEEZIUXYRDDKSU-IBGZPJMESA-N 531.107 7.645 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 2313543513 FQYPBGDPQAEZGB-SIKLNZKXSA-N 524.831 6.054 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 2313567257 FNCBFDWZVSGNAH-UHFFFAOYSA-N 652.124 7.249 50 10 KKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4cc5c(ccc6ccccc65)oc4=O)cs3)o2)c([N+](=O)[O-])c1 2314486801 FALWOQHDILPOKM-UHFFFAOYSA-N 531.549 7.611 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 2314533313 QAYJMBOOXAVZNW-UHFFFAOYSA-N 508.578 5.647 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593753 SFCKOYRJQGCHES-VWLOTQADSA-N 502.039 5.700 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314611264 RUWITOGPZXUICV-UHFFFAOYSA-N 559.464 6.093 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OC 2314616783 JSCYUQNZGQQILE-UHFFFAOYSA-N 508.578 5.091 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634881 ZEMDIEFLWODJKC-PMERELPUSA-N 510.590 6.101 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1C 2315633837 REYUCHFWZHGKHW-KRWDZBQOSA-N 529.070 6.317 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2318357199 KGOVDHPZWWQEMU-JTQLQIEISA-N 500.385 6.936 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccc(Cl)c5)cs4)cc3C2=O)c1 2331293837 IRFVXRSDXQMJSP-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE CC1(C)CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349812216 WOYMURLGBBADGZ-OLZOCXBDSA-N 500.056 6.576 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3c(s2)CCCCC3)c1 2361178507 OPISGBQDNFEDFY-HSZRJFAPSA-N 506.303 7.843 50 10 KKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 11852124 PMMIOUTWZBGDIS-GDNBJRDFSA-N 514.821 7.500 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1Cl 38650989 LZGZNXUTPZDPLP-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 38660119 STCKNBJLRTUMDB-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1 38678844 UWVOEVRUVNIUBX-XMMPIXPASA-N 505.368 5.675 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)c1 38684563 NXUXOHOMFFQKHB-LJAQVGFWSA-N 510.590 6.258 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(C)cc1 38686892 POYLMORJVNLWIO-MUUNZHRXSA-N 508.530 5.613 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1c(Cl)cccc1Cl 38700542 NNRVNPAPFQQCGG-QFIPXVFZSA-N 505.313 5.537 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825894 PSPVJVMUYBMKFR-TWKHWXDSSA-N 517.383 5.621 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 59120138 ODJJHFBUIYUUGZ-FADJLKOXSA-N 514.673 6.622 50 10 KKGE C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 96584998 NKOHUIVKVFKBDS-CILNGMPWSA-N 506.238 6.148 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(Cl)cc2)cc1OC 97914764 JBQWNDQRMGLHEL-VJVDVCSOSA-N 521.485 5.403 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC(=O)N2 100080760 PBKHSKUCHZCYLT-VTOTUWQXSA-N 589.648 7.037 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100213645 LPMKQRIRCAJEMZ-SSEXGKCCSA-N 549.671 6.522 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 100236079 RKPNAJQAWPWEBE-ZSYYNXLFSA-N 555.469 5.708 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1 100453047 VFZJAGFYCLJNED-CHVMBPBASA-N 548.808 5.488 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241091 UPEXYWWODCFPQI-OGCOBRASSA-N 504.011 5.091 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101339496 OBLXJQMKLISHOL-QXUDOOCXSA-N 625.128 7.873 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339638 LLTUEFCIMNKKTR-CVKSISIWSA-N 544.567 5.069 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362384 LXAOIWUBWDJSMF-PNSSKLJMSA-N 534.999 6.756 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101368372 RNAXJQSEVHMAQP-HKBQPEDESA-N 534.612 6.711 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCCC)c(OCC)c1 101373775 NMOAWRFLEBPGJE-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373872 ISVKTXFSFREYCW-LJAQVGFWSA-N 583.468 6.774 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCCC(C)C 101375011 FSBBFDACCPDELT-SSEXGKCCSA-N 588.657 5.973 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc(OC)c1OC 101376112 IDZPYUKNYBLUHA-MUUNZHRXSA-N 544.604 5.575 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379717 YKJZFOHRJKSNJX-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383345 KEPWICXQEZVFFJ-JGCGQSQUSA-N 581.068 7.391 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384892 XOXBKBJADJMWRN-MGBGTMOVSA-N 629.540 8.072 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386694 QJKUURCXXCBWLT-AIKJVNBHSA-N 578.596 6.259 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389016 NANKZTXWZUAOGJ-MGBGTMOVSA-N 594.639 7.028 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101393826 UYHSJBKVRKEXJV-QFIPXVFZSA-N 555.870 7.861 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101395381 SHBBRJHUICYWTG-MHZLTWQESA-N 583.468 7.017 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 101711662 WACKSFQUAMJIOJ-KBVAKVRCSA-N 549.852 6.878 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(-c4ccc(Br)cc4)o3)c2C)c1 102941403 SZXGJDPMJWCTRL-JCMHNJIXSA-N 587.426 6.480 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 102973451 ZGOSOKSXNUFIOM-QIBQIDICSA-N 566.466 6.235 50 10 KKGE CC1=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2C(=C(C#N)C#N)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 103538364 VUGVCRYREMJIAD-UHFFFAOYSA-N 553.387 6.031 50 10 KKGE CCCCCCCCCCCCCCCCO[C@H](CCl)CO[P@@](=O)(O)OCC[N+](C)(C)C 111446901 UWCMOAPWKNTQRP-XMMPIXPASA-O 501.109 6.932 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCC(=O)NNC(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 150386826 VKKCMLCPEWVFOW-UHFFFAOYSA-N 718.855 6.179 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433577 SOIMZWPNZXVSKS-SSEXGKCCSA-N 656.349 8.715 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 164637456 VKAZERVLPURHMQ-CHSHITCJSA-N 677.426 9.264 50 10 KKGE BrCC(CBr)(Cc1cncc(Br)c1)c1ccccc1Br 169005389 NGLVVAKGZPACBH-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214241892 IPGQZFITIJDDFY-NTFVMDSBSA-N 522.693 6.513 50 10 KKGE CCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 229346889 QPSJMKIFWVWIGA-JFGNBEQYSA-N 507.842 5.294 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2)cc1Br 235813309 GLEUVVZECMPEEP-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c1 236051040 RWVZYKRSYOSMQT-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl)C(O)(c1ccccc1)c1ccccc1 252597013 CNQQEHIJEHHZNW-UHFFFAOYSA-N 550.398 5.867 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1OC 252607168 GYUSDLIWCZQYQF-UHFFFAOYSA-N 534.572 5.918 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]5[C@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 253498434 JLDCYPYVMUNTNF-UOIYIQPFSA-N 722.687 11.403 50 10 KKGE biogenic C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253559810 AADUKIOUHOTJTH-YOEWLZISSA-N 586.765 6.987 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254307983 OGZABAXHWOGWPQ-NBEKDTFESA-N 582.660 6.046 50 10 KKGE COc1ccc(C=NNC(=O)COc2cccc(C)c2C)cc1COc1c(F)c(F)c(F)c(F)c1F 254351981 SCHRGXAJLPVNRJ-UHFFFAOYSA-N 508.443 5.116 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2Cl)cc1 254441490 PUUWLGFCJHMYIE-UHFFFAOYSA-N 616.954 6.880 50 10 KKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254761369 XBJUECKOFRSDDE-YWUCAGMCSA-N 527.624 6.703 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)sc2c1CC[C@H](C)C2 254828246 IWVZRMDPVDJROT-IBGZPJMESA-N 533.650 5.026 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024849 IROZDSOIJMGVCC-IPGGUITASA-N 812.941 15.172 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccccc2I)c(F)c1F 398788866 OZEWKHFPEJOUGI-NSHDSACASA-N 505.897 5.955 50 10 KKGE O[C@@H]([C]1C=CC=C1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 504823270 GHRJRGCCQPSIFG-PSXMRANNSA-N 539.575 6.639 50 10 KKGE C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC1=O)[C@H](C)C[C@@H]2OC 575232287 QOPPKWCRXKAHTN-URZYKMPPSA-N 932.366 9.270 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616589349 XJHPFJYSMMSOCC-PGXBBODOSA-N 940.168 10.093 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642880674 KGHSXHZESVOJIE-YOVDOAOFSA-N 964.186 10.305 50 10 KKGE Fc1cccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1I 721707631 ZTGCUMVMKPNSIF-MRVPVSSYSA-N 543.943 6.757 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C 888086012 SXSPFBHBHXXHMD-XWSUUBEWSA-N 765.398 12.626 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 1083945398 NOQDXIMKVYESQX-UHFFFAOYSA-N 590.101 5.969 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 1084031459 SJQCUNGQOAUQOR-SANMLTNESA-N 502.998 6.045 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084042985 MPZCYDWBDNLDFJ-UHFFFAOYSA-N 571.811 6.319 50 10 KKGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084210724 UVLWAOMWRSMENQ-UHFFFAOYSA-N 544.652 6.138 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 1084330798 WWCMIVDYKSSTFB-XMMPIXPASA-N 655.302 6.134 50 10 KKGE BrCCCN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084330856 AYMVXUGLEIARPE-UHFFFAOYSA-N 570.010 6.186 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084434774 LVXDBFYGXXNGMO-UHFFFAOYSA-N 592.073 5.304 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 1084516633 WLBYAWYXYRRUNP-CJLVFECKSA-N 547.409 5.192 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084548095 KDGOQWLZIZJQBV-UHFFFAOYSA-N 522.501 7.598 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1307273376 DIMYHZDULFSWLS-SWHWZGJWSA-N 641.142 11.150 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684399 PUBUCTHNYWVPES-QHCPKHFHSA-N 531.385 5.727 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865691517 UQWDOVQEMJDHSH-XMMPIXPASA-N 566.500 6.168 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692533 GVIUFNHTKNBSTR-MUUNZHRXSA-N 559.497 7.296 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865701998 KKWASFPXFVFRSK-MUUNZHRXSA-N 503.650 6.280 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704504 XNLZUQHZBLIZJQ-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705603 ZWLSOMICZMOTEI-NDEPHWFRSA-N 518.617 5.938 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866679423 QCKCXNZFKPGWFF-NDEPHWFRSA-N 570.690 6.569 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867243865 VOHCGCJORYKGJX-NBGIEHNGSA-N 515.660 5.377 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](c4ccc(F)cc4)O[C@H](C)C3)n2)cc1 1868321300 YQQXFCGMXTVOQA-FQRUVTKNSA-N 511.626 6.874 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H](C)N1c1ccccc1 1868456534 QZVALWHZCGENLU-SFTDATJTSA-N 510.642 6.703 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCCN1CCOCC1 1872782295 BTOILSVBADOWPX-PCLIKHOPSA-N 501.652 5.473 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc(Br)c1O 1872794033 GOSSBZMSQYWCSH-MKMNVTDBSA-N 505.821 6.712 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 1873921230 YKDQZXOANLPJPF-MNDPQUGUSA-N 500.420 6.815 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(CCCBr)Cc1ccccc1 1914603472 FAPKRYDJMGTDTB-UHFFFAOYSA-N 537.033 5.481 50 10 KKGE Cc1c(Br)sc([C@H](Cl)Cc2ccccc2I)c1Br 1922906584 KZBUSLKBZQWTDR-SECBINFHSA-N 520.455 6.709 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071998 MHZOOUZBWYTYON-SECBINFHSA-N 554.323 7.182 50 10 KKGE CCC(CC)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025783560 VDMCERAPIUEXES-GFCCVEGCSA-N 512.305 7.453 50 10 KKGE C[C@@H]1O[C@@]2([C@@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078504362 CESJZXLYCDKLLX-BRYRRJJASA-N 523.910 6.429 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085495409 KITYARYXTMVWQE-VXGBXAGGSA-N 526.288 6.586 50 10 KKGE CC(C)(CBr)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2108756817 BOFMGYQXBSBKBJ-UHFFFAOYSA-N 516.857 5.227 50 10 KKGE FC(F)COCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476934 IYGRFEBPWJQPHG-SSDOTTSWSA-N 550.257 6.688 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CCOC[C@H]1OCc1ccccc1 2146519412 GRIMLJFSECLXCN-IEBWSBKVSA-N 500.739 5.066 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CCOC[C@H]1OCc1ccccc1 2146519414 GRIMLJFSECLXCN-PKOBYXMFSA-N 500.739 5.066 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2154373879 QXOLKGQDLGPMAF-BWTSREIZSA-N 512.717 6.629 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2ccccc2Br)c1Br 2201061716 HOKKYAGTRXVLIL-CQSZACIVSA-N 525.904 7.270 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2ccccc2I)c1Br 2201065430 QJEOVEXWSUEFOW-ZDUSSCGKSA-N 572.904 7.112 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2203705989 PUXMXWXYCPEOAA-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Clc1cccc(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397503 JVMSAONBWVRNJM-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE Cc1cccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398610 WXGHBSGABLBQMG-JTQLQIEISA-N 590.773 7.724 50 10 KKGE C[C@@H]1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206398831 ZJQYPKGXIRYNTO-QHMRUWFYSA-N 598.793 7.376 50 10 KKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1I 2207259448 AOKVZFUMWRTFOZ-MFKMUULPSA-N 515.027 5.127 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1ccc(I)c(Br)c1 2218807499 GLYMZRGPLOHWHR-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(I)c2)c(C)c1Br 2220156093 GMBVPSSJYLCWJI-CYBMUJFWSA-N 564.906 6.979 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)c(Br)n2)c(C)c1Br 2227361031 YXTXOQLPUBOASC-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c(Cl)c1Cl 2232530764 VBOZWWDZSCSXLZ-NSHDSACASA-N 587.158 8.419 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CC[C@H]1CCN(Cc2ccccc2)C1 2234059478 SVDGDNVTPITUIV-MRXNPFEDSA-N 511.689 6.212 50 10 KKGE Cc1sc([C@@H](Br)c2cccc(F)c2I)c(Br)c1C 2253474272 GCJBHUQWJKOODR-NSHDSACASA-N 504.000 6.355 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cocc1Br 2260002947 VWWGDMCHPHHYFN-VIFPVBQESA-N 509.764 6.330 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1Cl 2288353521 JTTWYXSBWLKJOA-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1scc(Br)c1Br 2295286144 USNMERHLLRJCPD-LLVKDONJSA-N 523.899 7.334 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3ccccc3)ccc2O)cc1 2295523588 ZEKDCMRPIVSDRT-UHFFFAOYSA-N 532.604 5.795 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521579 XPCWNAFMVUKKQS-UHFFFAOYSA-N 597.409 6.340 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccs4)c(NC(=O)c4ccccc4)s3)o2)cc1 2314433157 KSUQCALLKLPCBQ-UHFFFAOYSA-N 551.649 7.625 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@H](CC)C2 2314571126 BLCDWQZRCRXKHM-INIZCTEOSA-N 542.579 7.264 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593750 SEXJYDGCBZHKEU-WVXBCFDCSA-N 553.728 6.732 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314616732 INZXVTVZEKWXON-UHFFFAOYSA-N 529.394 5.089 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314616998 OQVDTFNJXUTFHD-UHFFFAOYSA-N 561.041 6.550 50 10 KKGE COC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 2314737961 DIQKGVLPDICZFZ-UHFFFAOYSA-N 533.964 5.635 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2314753188 ITKFLRMRSDYONF-UHFFFAOYSA-N 506.558 5.639 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321697697 GGISNPNAPAAQQY-UHFFFAOYSA-N 520.029 5.511 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccc(I)c(Br)c2)C1 2325371181 KKSYRSXUUCXXJI-GOSISDBHSA-N 589.106 5.735 50 10 KKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331030580 KQJIQKKSEKGPHU-UHFFFAOYSA-N 522.793 6.213 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331376398 ABJITCWQKBCUHS-DEOSSOPVSA-N 517.607 5.721 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 2331440323 DWZPIVITPHAELI-UHFFFAOYSA-N 513.457 7.223 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1I 2337094255 NHGSJYMWJZNHPV-MRVPVSSYSA-N 587.250 5.827 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(C)ccc1I 2338032311 VNOTUMNBPPTVIS-OAHLLOKOSA-N 514.064 6.860 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCCC2)c(I)c1 2341030259 ONXGASGSLQIMFS-UHFFFAOYSA-N 520.474 6.454 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2csc(C)c2Br)c1Br 2369593812 KOYMTZQFYQLZLG-CYBMUJFWSA-N 503.481 6.989 50 10 KKGE Fc1ccc([C@@H](CI)OCc2cc(I)ccc2Cl)cc1 2380353670 OCKQNWDOAVGGMM-OAHLLOKOSA-N 516.519 5.777 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 34719607 XESYGCAAYYKZMX-LDADJPATSA-N 505.441 6.214 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCOCC3)c2)cc1 35446178 HCKCADHGQXDDNZ-NLRVBDNBSA-N 504.590 5.193 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38660063 PIEMTEUDWFGXCM-MHZLTWQESA-N 500.551 5.320 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 38686943 ZIEILDCPDLLISR-QFIPXVFZSA-N 507.398 6.954 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701153 PCVVJJBDTYNQTM-GDLZYMKVSA-N 522.601 7.056 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701288 RMSRCFYWOVQCSR-AREMUKBSSA-N 504.970 5.965 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1 40950835 PRBOERKIJGBOFE-MUFRIFMGSA-N 525.443 5.863 50 10 KKGE Cc1ccc(-n2nc(C)c(/C=C(/C#N)c3nc4ccc(I)cc4c(=O)[nH]3)c2Cl)cc1 96022105 DDOIEEOCONJJDW-ZROIWOOFSA-N 527.753 5.048 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100141875 LQJCVDQEKBMYKK-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 100237040 KLEGUHOCBXDSSF-XLBBBYAWSA-N 545.419 5.664 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844229 HUENDTWGORXFCR-CMUJGTLMSA-N 567.926 6.062 50 10 KKGE CCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 100870024 MTRUKTHONLCLKH-GKPLWNPISA-N 527.422 5.863 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245636 QUMSLKHILHXOGP-FYAMCCBRSA-N 537.563 6.087 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCC(C)C 101374339 HNCPDOXBFAPOKI-LJAQVGFWSA-N 549.023 5.894 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc(C)c1Cl 101383835 URKCGEDJHIMAOH-WJOKGBTCSA-N 585.031 6.878 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1 101392956 AYCTWXGNKKKGQW-MGBGTMOVSA-N 586.644 7.383 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101393044 KNBMHOFUFQJWJU-PMERELPUSA-N 552.627 6.983 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396062 UIRUJVYUCZSEFE-HSZRJFAPSA-N 585.896 8.088 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 101472864 OHZXXKOZOLCYPH-UHFFFAOYSA-N 608.486 5.125 50 10 KKGE CCCCc1nc(N2CCCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 103116973 BYJKRAXBOIRVDG-SANMLTNESA-N 535.067 5.624 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 103742785 WGKUJAHUEAMQQL-CTHAODRQSA-N 526.420 5.875 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742853 OHXIRQRKXZMVKX-GPSDDGMOSA-N 563.433 5.731 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 103746707 JCFOHOPESRZEHY-CGKMATKDSA-N 559.018 5.764 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12 103877490 FUALDOXJBVPVQG-BKATUZMVSA-N 614.145 9.001 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 103878570 BALQDARUKLLILB-XKJRVUDJSA-N 616.262 6.428 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104799974 ZLWBOIUZSUVXQL-UYRXBGFRSA-N 517.522 7.302 50 10 KKGE O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 105424696 MHANODIGZYELNL-UUBYCNJISA-N 575.452 5.752 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 150455213 JCYSHCDHJWYANH-JWPDNNILSA-N 662.768 5.560 50 10 KKGE BrC[C@@H](Br)CN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 164609056 YNQQRINKWJPEBR-PQOIGDABSA-N 648.906 6.560 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 197477519 ZFRWPAYPCFTQHK-ZFOKTMFVSA-N 701.893 5.876 50 10 KKGE CNC(=O)c1ccc(C(OC(=O)[C@H](CSSC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1 199053108 WDAYYBIPIJGPKJ-LHEWISCISA-N 730.952 8.969 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 206541181 AMUJPOFFFHCAKP-HTYUJRJUSA-N 594.664 6.764 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 214381828 DPTYADGVDSHSNX-ITYLOYPMSA-N 500.639 6.535 50 10 KKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 235624810 FMMNDMSYIBXCDC-ZUZCIYMTSA-N 515.027 5.127 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 254387229 PQTPCAZNDKJYTB-LJQANCHMSA-N 658.924 6.251 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1c(O)ccc2ccccc12 254412757 ZQGMRRWYQFLRDN-UHFFFAOYSA-N 516.673 6.085 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254629838 DFQPSBJACSFDEU-FOQZQGMNSA-N 638.637 5.681 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OCCOc1cc(C)ccc1C(C)C 254707280 UWKSJBWIONVBND-UHFFFAOYSA-N 528.700 5.377 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1cccc2ccccc12 254795209 OTPMYJAUMJHHMV-UHFFFAOYSA-N 548.089 6.933 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 254825775 ONSLMYWFXYJUIH-UHFFFAOYSA-N 510.575 6.664 50 10 KKGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c(C(=O)OCC)c1C 256017413 LPKYCCCECAWGRE-UHFFFAOYSA-N 539.610 5.153 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)[C@H]2Br 256020201 OWLZOZGEOQSXAK-IPELMVKDSA-N 532.070 6.255 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308410362 DBORYWJHCAAFFD-HNNXBMFYSA-N 528.409 6.126 50 10 KKGE ClCc1nc2cccc(Br)c2n1-c1ccc(Br)c(I)c1 697736740 ONGLIVHFJXLDJY-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616265 JGQJZEXOVYWIAD-LJQANCHMSA-N 542.880 6.709 50 10 KKGE CNc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2n1 1083805710 RNYXUWAQJPNBRD-SLLDXECHSA-N 914.130 9.548 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084074958 FUXNXJVKJLZEIE-UHFFFAOYSA-N 569.058 5.241 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084257180 VMQXYBFVLMLGIS-UHFFFAOYSA-N 604.501 6.320 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(I)cc1 1084263206 MNNRARXDKNKBLV-LGUFXXKBSA-N 619.503 5.863 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1 1084326954 ZQBPOHQXAHBKDZ-UHFFFAOYSA-N 668.123 7.214 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 1084418310 KZJKIMPUCZOFPL-UHFFFAOYSA-N 650.595 6.308 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1 1084468295 NLCYPOIJUGOJIK-MHZLTWQESA-N 507.030 6.010 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(I)c2)cc1 1084472124 VJYAOXIVQAUYGK-XMMPIXPASA-N 576.406 5.372 50 10 KKGE O=C(NN=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccccc1Br 1084611897 ZYCXUJYOUGYBCS-UHFFFAOYSA-N 509.403 7.098 50 10 KKGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 1614642022 KAOAFGFQPIOUNP-YOEHRIQHSA-N 501.162 5.008 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752029 RSRGQFXAOJBPSW-UHFFFAOYSA-N 513.594 5.920 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685049 CXDOAPMKXOVFQB-HXUWFJFHSA-N 508.236 6.716 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687343 PARBOHSEPFBRFZ-NDEPHWFRSA-N 506.606 5.939 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688206 MZZXAQDKKPRDJY-NRFANRHFSA-N 527.394 5.108 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865688885 DGJWWYORCABYCX-SANMLTNESA-N 527.024 6.267 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700977 ISGFWSZRQIGRIB-NDEPHWFRSA-N 559.497 7.215 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702427 AAYOUDQUBWQASH-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705540 YSYAPTABXGBPBQ-AREMUKBSSA-N 524.552 5.079 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705955 KMFYZXBNOVTCMY-MRXNPFEDSA-N 544.704 6.037 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715220 ZKIZDWPIDUYAHS-HSZRJFAPSA-N 530.968 5.142 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c2ccccc2)cc1 1866568701 QEWQWPGSMRAFQP-MHZLTWQESA-N 566.733 7.150 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866663542 UONCZXGGIXJTNC-RUZDIDTESA-N 549.027 5.924 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](CC(C)C)c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867110499 UDWBAVSXIMZPDH-FUFSCUOVSA-N 561.679 6.210 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867286701 HEGDGBXCAOSOCX-FQEVSTJZSA-N 555.607 5.597 50 10 KKGE CCCCCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(C(C)(C)C)cs2)\c2ccccc2)cc1OC 1872747706 QXTUVWWONHLOIK-HKUALKENSA-N 502.680 8.052 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1OC 1872748080 HPETZSGSOOISJA-IHCLVQKISA-N 510.015 5.365 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc(Br)c1O 1872793547 FWQCOXXXXFGSEO-WLRTZDKTSA-N 521.820 6.412 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H]2Br)c1Br 1900361595 IDQPKVUTFPNEEF-MSIVUJLLSA-N 500.225 6.224 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924593621 GMSVHPQEROZDEK-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1c(Br)sc(Br)c1Br 1924595805 DZDMYRKVVHXXME-SECBINFHSA-N 603.193 7.889 50 10 KKGE COc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596770 TUTPCKHWAISVHV-SECBINFHSA-N 533.905 6.723 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3sccc3c2)c1Br 1924604608 FFSHAIZDDMNSBM-SNVBAGLBSA-N 545.941 7.735 50 10 KKGE Cl[C@@H](c1sncc1Br)c1c(Br)sc(Br)c1Br 1924616472 PCOTZCISVPZCCT-RXMQYKEDSA-N 531.314 6.583 50 10 KKGE CC1(C)C[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)CO1 2041483372 RELJLDMXQBCSLJ-BQBZGAKWSA-N 525.926 6.677 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2069527096 UHCDRCBBCZLXBO-KSUMAYRYSA-N 641.186 12.671 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(Br)c1 2083319874 CXMMPNZIYAWKRW-CYBMUJFWSA-N 562.719 7.221 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCC2 2085496436 WPAQPHACSFPIND-SREIQFSDSA-N 522.300 7.207 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(C)c2C)ccc1I 2086021986 CZGBJFHKDUYZDK-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2136377799 SJULTJWTKCENTJ-GFCCVEGCSA-N 552.351 7.790 50 10 KKGE CCc1occc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477921 VHZDFPYRDVXGMK-ZDUSSCGKSA-N 536.283 7.220 50 10 KKGE C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)CN(c1c(CBr)ccc(Br)c1Cl)C2 2154355314 CFVIRAPDBHIUPQ-VXKWHMMOSA-N 512.717 6.346 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2198737351 OIARPSZDYMGJSL-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)c(Cl)c1Cl 2203433144 MHLMSYWDZDNTCN-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206399212 DMKHIWKFQPEMAZ-WDEREUQCSA-N 602.731 7.608 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2206399645 KBSRHOBRYTZJCG-HWGFMYQCSA-N 596.777 7.130 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206400424 QUVCLWPUCATMAG-NSHDSACASA-N 615.154 8.013 50 10 KKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273250 SLWLDXPQRQHGGN-IINYFYTJSA-N 515.027 5.079 50 10 KKGE Cc1c(Br)csc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2213776238 YOCCLEUKCBEUOE-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(I)c2)c(C)c1Br 2220156098 GMBVPSSJYLCWJI-ZDUSSCGKSA-N 564.906 6.979 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1csc(Br)c1Br 2221703238 HSCPEZRPWNSRNR-SECBINFHSA-N 538.324 7.368 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2232529301 LKUCPFMZKUPLHT-ZCFIWIBFSA-N 502.248 6.934 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1csc(I)c1 2233158820 DYPUDLQASWJMBT-AWEZNQCLSA-N 530.063 6.732 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1sc(Br)cc1Br 2242670861 LTDBKRGEGZOCLE-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(I)ccc1Br 2279060835 XURNIQQKRPXTKU-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2297532996 WNDDUPDMEYGTGI-UHFFFAOYSA-N 537.668 8.451 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)sc1Br 2301118915 JDXAZLUBRFQRIT-ZCFIWIBFSA-N 507.871 5.562 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl 2313521301 DWFHSRGWOPZXBD-UHFFFAOYSA-N 586.857 7.085 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313545854 KIHDEHJHSGAOOI-UHFFFAOYSA-N 601.328 6.599 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2313545887 MLGBIKKITUZECU-UHFFFAOYSA-N 563.683 6.409 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568633 XIDCSTWFTGLRBL-UHFFFAOYSA-N 599.472 6.279 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(F)c1 2313571277 RHHSQHWSKPHBQZ-UHFFFAOYSA-N 550.211 7.028 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592868 CZJZRUOSKYCBPR-VWLOTQADSA-N 518.038 5.481 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cccc(Cl)c2Cl)C1 2317150281 CVFZXGCTPMPENU-GOSISDBHSA-N 500.204 5.715 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)c2ccccc2)cc1 2331325122 MFIGUXZXWISCQH-UHFFFAOYSA-N 510.615 7.259 50 10 KKGE Cc1c([N+](=O)[O-])cc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 2331360225 OYYTUQIQZUJNLR-UHFFFAOYSA-N 500.492 6.677 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c(C)c1C 2331361276 CPFIBTIUSJPGJX-UHFFFAOYSA-N 521.598 6.182 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2365188916 PNZJGFCRMUXIOI-FQEVSTJZSA-N 555.104 7.592 50 10 KKGE Fc1cc(Br)cc(OCc2ccc(Cl)cc2I)c1CBr 2365647244 IBIUMCWSSIQVKP-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(I)c(Cl)c2)c1 2366887113 CNGYPOPPLZTWAK-ZDUSSCGKSA-N 504.420 7.320 50 10 KKGE Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Br)cc1 2727556 FLNHTZWVNXQMBZ-DEOSSOPVSA-N 523.496 6.809 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8387227 VNVQWPZNUIBFKI-SDXDJHTJSA-N 583.676 6.304 50 10 KKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc1Br 34261811 YGTIHYNNCWCIDF-JYRVWZFOSA-N 506.150 5.020 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 38651737 LOVMPALNMRUPEL-VWLOTQADSA-N 505.368 5.269 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)oc2c1 38687899 JFYXFZLREYYECI-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701117 UDKSFHIVGJKPQT-NSOVKSMOSA-N 512.562 5.075 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1F 40924533 VDJCNNBPFHJQJG-CCVNUDIWSA-N 507.612 5.779 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)c(Br)c1 100064539 FNVWNCJUABEEHC-UHFFFAOYSA-N 577.111 5.420 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCCC)cc1 100186823 SGGPXGNGDTXIIZ-UHFFFAOYSA-N 577.545 5.486 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100210832 ZKEAKKGXRSSKPG-UHFFFAOYSA-N 526.865 5.054 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100213602 AAOVHMNYCCMTND-QFIPXVFZSA-N 576.285 5.571 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 100227513 KTFYETPPXUMBRC-WRIMGEDOSA-N 572.443 5.541 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 100236273 DZNXSYNNTNZJAG-APTYXWLQSA-N 589.914 6.443 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(I)cc1 100313365 IDOZVEJYNZEGOB-NYFJFQCHSA-N 584.454 5.571 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 100401328 JVTRVFPILNUSDJ-YZRTULSPSA-N 614.554 7.887 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869837 LYJIPBVTRBJZMJ-JEPNHJGPSA-N 591.620 5.919 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101241978 RCOOGAKPEDUXBG-GHIWRQRASA-N 519.976 5.704 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242695 POHCKRAJAJKVCT-YHECHFPNSA-N 526.445 5.946 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 101340359 VTAPIAPGWVWZMQ-YZSQISJMSA-N 512.993 5.763 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccco1 101366028 SQEYMRUUAGHFCT-HNNXBMFYSA-N 560.604 6.749 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101367695 UQNUUVCJFJOPEA-DIRGTLEOSA-N 552.671 7.009 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101368365 FJWSHMAKSOOSAO-MGBGTMOVSA-N 548.639 6.640 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385468 CLCTYZDRDDYNRT-COOREUGTSA-N 604.703 7.297 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCCC(C)C 101395828 UUQHOYMQCOFPBL-YTTGMZPUSA-N 580.681 7.565 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399800 AEEKPRBEHOSBCA-MGBGTMOVSA-N 621.089 8.118 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610125 LLUNMKWVUVQZFX-IWBSIUBASA-N 556.460 6.592 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613688 PUWHXALBVRZYSQ-FEZSWGLMSA-N 541.007 5.454 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 101712580 JOEXTSZDHISHEN-LPYMAVHISA-N 591.405 5.316 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)o2)cc1 102665454 HMWCPKXBXOBBCJ-YQPBSLOJSA-N 560.672 6.812 50 10 KKGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 103372101 FJRCMYOHIYOQDP-IUXPMGMMSA-N 555.252 7.583 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743167 RKEREHWXUBQHMR-XYZDCVNTSA-N 522.457 6.045 50 10 KKGE C[S@@](=O)(=N/C=C(/C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2cccc(F)c2C#N)cc1 104187298 OANCZMPUXHWUAC-BWSQWQRLSA-N 550.515 5.199 50 10 KKGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400552 GQEINFYWMYDUMD-MYGXYJSQSA-N 805.864 6.505 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442195 KPTXGQFSIFGXPX-YTTGMZPUSA-N 685.958 8.572 50 10 KKGE BrCCCCCCCCCOc1c(I)cc(I)cc1I 157275473 JXGPSMOLIFHZIJ-UHFFFAOYSA-N 676.940 7.005 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 205661862 QNSGNXJWSUBRLH-AWPOKNFJSA-N 528.608 6.719 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 206434301 BUYKIIVGPXRRBE-BWWZDBMSSA-N 534.568 5.709 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214323070 DXPDUOOSNRYDSZ-MODQRLIRSA-N 522.605 5.099 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214334454 ILUWXNMXZHMYHH-KWAZPOIMSA-N 542.639 6.600 50 10 KKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1Br 234994619 BKCDHQSIVFWNJV-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1O 252604133 FWZASUHEIVVGDZ-UHFFFAOYSA-N 578.090 5.912 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 253498398 YWOCDRCHNHTNKI-DUTSDEEBSA-N 567.836 10.237 50 10 KKGE biogenic C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 253537509 JBHLEOSHZKKTQZ-OPGPRXKQSA-N 693.521 6.391 50 10 KKGE CCCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1 254611715 FVPCGIMJTUSWBJ-UHFFFAOYSA-N 560.286 6.733 50 10 KKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254626016 ZJRRURFPVCPLLD-UHFFFAOYSA-N 550.611 6.086 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(CSc3nc(C(F)(F)F)cc(-c4ccccc4)c3C#N)c2)cc(OCC)c1OCC 254670052 ODRNPBDUZPRNGM-UHFFFAOYSA-N 678.733 7.900 50 10 KKGE C[C@H]([C@@H]1CCC[C@@H]1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C 261361419 OOAXYFJPTQXWPN-VUAYVDPTSA-N 526.685 10.062 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 616588280 LAVSLNMQPNHPSL-UFRKFLGHSA-N 697.001 9.876 50 10 KKGE CC(C)Oc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721573082 OGMZKSYZBXEOFR-INIZCTEOSA-N 510.007 6.325 50 10 KKGE O=C(N[C@@H]1CCCCc2ccccc21)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237259 CBTOBFGOPPFPKI-QPPBQGQZSA-N 521.004 6.664 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 725388692 AJZPYVIPMOXHHU-JGCGQSQUSA-N 550.659 5.907 50 10 KKGE CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 725409626 CJBYDSQSCLKCLP-HSZRJFAPSA-N 587.312 5.340 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccccc2Cl)cc1 1084066236 DFBBGDQPVWPJGE-UHFFFAOYSA-N 625.534 5.665 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC 1084168386 GMGCDKOECOGXAF-UHFFFAOYSA-N 507.634 6.743 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 1084237774 FUEXGHDLUHFUHO-XMMPIXPASA-N 624.757 6.807 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 1084240476 MYTYIEIQVISTOK-UHFFFAOYSA-N 529.460 5.765 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(I)cc1 1084348336 MLNKTAUCHFQSII-DEDYPNTBSA-N 619.286 7.460 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 1084366848 OMBURTSNSSCTJM-UHFFFAOYSA-N 513.506 5.144 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Br)c1 1084471499 JNTIAGQSUUNQPD-UHFFFAOYSA-N 574.806 5.467 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743670 IGKQOYJTMOCIRP-UHFFFAOYSA-N 530.806 5.735 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746434 FMWVTPRBFRNAQX-UHFFFAOYSA-N 528.008 6.640 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OCc1c(Cl)cccc1Cl 1772753694 CKCGGJNICXPKMP-UHFFFAOYSA-N 617.121 6.635 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865687581 VKXRWNFYRQRVML-NDEPHWFRSA-N 508.622 6.384 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694260 RUCZQMQQMGCZHG-MUUNZHRXSA-N 541.051 6.674 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865694435 UYNBXLZLNOATLC-NDEPHWFRSA-N 541.051 6.343 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694449 YIDJWWYKFXOTSG-XMMPIXPASA-N 511.453 6.588 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694807 CBIZYGHGWQNWOC-MHZLTWQESA-N 532.003 6.385 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865702984 KCQCIZWPTASNPI-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865705645 ATBAFXNGNKUXQA-QHCPKHFHSA-N 566.967 6.659 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(Cl)c1O 1865706964 KEFFGULCZMQPEE-NRFANRHFSA-N 505.361 5.778 50 10 KKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1865758987 CMUSRLSQPDKUSD-UHFFFAOYSA-N 506.389 6.018 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866935159 OGFBHIOMDBXCIR-HKBQPEDESA-N 590.680 6.618 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)nc(Cc3ccccc3)n2)cc1 1868207157 IFHAACDENDSWJX-MHZLTWQESA-N 510.598 5.201 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1C(C)C 1872753841 PPNMQUPNSQPRQL-RYJRFVJXSA-N 506.624 6.782 50 10 KKGE Brc1cc(CC[C@@H](Br)COCc2ccccc2)ccc1I 1893242095 VAYYRYVUESTCNT-OAHLLOKOSA-N 524.034 5.967 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 1922886923 YPUSUGMFZQFDHR-JTQLQIEISA-N 615.748 7.125 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Br)c2F)c1Br 1922896897 JFSDBBQMJAHBFB-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1I 1922942523 RXSUJTLYFZJIFH-SNVBAGLBSA-N 550.879 6.670 50 10 KKGE Cc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924584947 FLKCWMOVDPUAJY-VIFPVBQESA-N 517.906 7.023 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 1924600846 HMMZMYJOUBPRGS-OAHLLOKOSA-N 595.976 8.099 50 10 KKGE Brc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605818 XNDOMUKWPFJAJZ-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE Clc1c(Br)ccc(CBr)c1-n1cnc(I)c1I 1948735628 DFOGKOSJNYEXHF-UHFFFAOYSA-N 602.233 5.392 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1(Br)CCC1 1960900941 UQQPBJOTPWJZMS-LURJTMIESA-N 502.291 6.633 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1c(Br)cccc1Br 2010826858 IIWGWJSMEVYHNI-UHFFFAOYSA-N 500.322 5.207 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc(I)cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053613194 YEHMGENHDZLQDN-FAIXQHPJSA-N 656.512 7.549 50 10 KKGE CCCCN(CCCC)c1ccc(C=Cc2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)O[C@@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 2054622915 SXFGKYGUYHUANQ-VZUYHUTRSA-N 744.883 11.527 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23CCCC2CCC3)c1Br 2063822291 QERCSCODEXNPCM-JRIBOLAGSA-N 521.938 7.442 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CCOCC2)c1Br 2085494609 MUSIERZTTMYHTE-JTQLQIEISA-N 570.739 6.599 50 10 KKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500961 TUUQQZKIMJLOJQ-OPVBNTEQSA-N 568.767 7.609 50 10 KKGE CC1(C)CC(C)([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468124 GTNBDOGCKKDBNE-GFCCVEGCSA-N 538.343 7.843 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(I)ccc1Br 2145954523 DBQCVSUDMQFUCS-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE ClCc1cc(Br)c(OCc2cccc(Br)c2Br)c(Br)c1 2148751198 OOMOUHHGBBZHDF-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2156115042 ATJOAHJQBJIRAK-PUQNFTFYSA-N 513.467 7.531 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2167396158 OOFBPTAUXOYRIF-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE O=[N+]([O-])c1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2206405679 OJPGIWILQWJADQ-LLVKDONJSA-N 553.226 6.566 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1Br 2218799538 GHPWAQXBWVJPMA-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE CO[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2220513354 JNQIZEMRFBBKDJ-DPKJLXEKSA-N 570.739 6.598 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2231826511 SNNBOLCSIVUYEQ-SYTVJDICSA-N 507.391 6.330 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2232512068 MWHMVUOVYGLXNR-SECBINFHSA-N 526.281 6.873 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)CC1 2234072572 ZNEXHPDPGVAFGS-INIZCTEOSA-N 511.689 6.527 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2250931364 KSOQBNRDOASABF-ZDRUMUKXSA-N 509.883 5.898 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cccc2I)c(F)c1Br 2267737837 MDQWSZYBZAUIRI-NSHDSACASA-N 505.897 5.955 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)cc1I 2269545378 QSIFGFFUJOVJNS-CQSZACIVSA-N 518.947 5.886 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1F 2283573939 MCFBDYCVXADQIU-NSHDSACASA-N 540.342 6.609 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288494568 ISBNOFKGNSCRBO-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=Cc3ccccc3F)sc2NC(=O)c2ccc(Br)cc2)cc1 2296731291 LPQASYMZHYPPJQ-UHFFFAOYSA-N 518.411 7.337 50 10 KKGE Brc1cc(CO[C@H]2CCCC[C@H]2I)ccc1I 2306300467 AZKYTBUPFZSAKB-OLZOCXBDSA-N 520.974 5.317 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313570922 JEXXBDZGRHURLM-UHFFFAOYSA-N 601.111 8.196 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)sc2c1CCCC2 2314482555 NYXAUBVHZAELMY-WJOKGBTCSA-N 600.744 7.705 50 10 KKGE Cc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1I 2314496754 DYYBYMRDAUQBCZ-HXUWFJFHSA-N 527.627 7.269 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(OC)cc3)C2=O)cc1 2314592587 YETLJUMBWULJOQ-MUUNZHRXSA-N 525.674 6.411 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592645 ZIZRIVNPBMCWQJ-MHZLTWQESA-N 511.647 6.192 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592803 BYTJSUQTVHXEEL-KDYSTLNUSA-N 511.647 5.697 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593310 LCZUOYFACYBTNN-XMMPIXPASA-N 550.478 5.908 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314617864 CCWHPXZIUKSQJY-UHFFFAOYSA-N 521.580 5.880 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314620573 RBVQHJWNPFMSPP-UHFFFAOYSA-N 611.101 7.564 50 10 KKGE CCC(=CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321395210 VEARNJWBIICHEY-UHFFFAOYSA-N 502.434 5.358 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C)c1-c1ccc(Br)cc1 2329687276 BZWFDPSYQFQNGY-UHFFFAOYSA-N 515.816 6.472 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 2331397722 YDLVJRXHKJZGNK-MRXNPFEDSA-N 500.407 5.967 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331403831 METGXXHJUZEZOQ-MYYSRTQBSA-N 501.608 5.939 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 2331492883 XXHIMXURPURTGX-UHFFFAOYSA-N 508.640 6.868 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 2338027344 VXGYFDYPRQRPJN-AWEZNQCLSA-N 578.933 7.315 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2c(Br)c(Br)nn2C)c1Br 2338860958 ORPDCLPFYPTEHT-JTQLQIEISA-N 536.287 6.107 50 10 KKGE Clc1ccc(I)cc1C[C@H](CBr)c1cccc(Br)c1 2352430420 UNLXTZZDEQAJAB-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 2362252093 QOCPSJZLCRERKK-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE Fc1ccc(C(F)F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2363687492 VPORSYWBYNEDGL-MRVPVSSYSA-N 513.398 7.488 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2I)c1 2363891885 MBYARIQFAUFCMD-SNVBAGLBSA-N 560.398 7.272 50 10 KKGE CCOc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1 2364063704 LAVNXTANRPGJGG-JTQLQIEISA-N 531.868 5.591 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc2ccccc12 8437021 SAMRSSWVPZSPPC-UHFFFAOYSA-N 622.313 7.853 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 33343470 WUIFCOOAGDGFFU-ONUIUJJFSA-N 504.011 6.320 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38606728 KCYUOQZQSCYXQM-BUVRLJJBSA-N 523.029 5.725 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)c(C)c2cc1C 38700561 PCRXUXLFAUFBRI-DEOSSOPVSA-N 519.384 7.102 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812850 NHCAYTJNLIDKFB-QUPMIFSKSA-N 517.379 6.193 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 40852830 BGCBSGYIFWVLPS-BRJLIKDPSA-N 506.397 5.306 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(/C#N)C(=O)Nc2nccs2)cc1OC 96438653 OZPPIIJLBXGWDV-WQRHYEAKSA-N 505.987 5.271 50 10 KKGE O=[N+]([O-])c1cccc([P@@](=O)(C2=C[C@]([N+](=O)[O-])(C(F)(F)F)CC(C(F)(F)F)=C2)c2ccccc2)c1 100044010 SOKYBVCKWVZSJD-USXNREEHSA-N 506.295 5.263 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100172639 FZOFPKSYFDIPPV-UHFFFAOYSA-N 538.442 5.735 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207374 AFOZBZOQRXQOKZ-OAHLLOKOSA-N 611.345 5.480 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 100883444 AXNQOSFOMWUVFO-ULJHMMPZSA-N 535.003 6.588 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1Cl 101115673 BGYIBVBXJTWZNH-VBKFSLOCSA-N 535.785 5.757 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OCC)cc1 101241842 MXMFPAAZHWSZGR-RMQQKZCOSA-N 502.423 5.121 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380961 GREYDQGYFNULKK-PMERELPUSA-N 536.559 6.241 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383202 FJTFLNCTQIPTSP-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384387 OFIZVWBCGHULTL-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387387 NSNOUSOMTHJLQJ-WJOKGBTCSA-N 536.559 5.780 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389685 HFJWFVAAXZWJJY-LUWBXXKHSA-N 622.693 7.518 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389721 VZRMMGXSTRZQAG-QNGWXLTQSA-N 626.684 7.759 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101394738 OHFUFTIKEPOPNW-NDEPHWFRSA-N 589.113 7.960 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C)cc1 101727476 OMJKBGACGWZDGY-VVEOGCPPSA-N 616.990 7.364 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1 103878272 SVOJHDXMWOQROD-QNKGDIEWSA-N 530.584 6.704 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1 103878451 OCYLESPQLITVGG-KBVAKVRCSA-N 542.433 6.946 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(I)cc1 103878830 ZFHGDICPOLURAO-MUFRIFMGSA-N 566.395 6.117 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 106059775 NHIUWBAEYJUSGI-OYKKKHCWSA-N 590.315 8.052 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 110556852 RFQIFXZLXMFIHN-ZTKZIYFRSA-N 572.712 5.361 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 150485818 PRAXJKNNLYWHTA-MGBGTMOVSA-N 645.539 8.197 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150486316 UDXQVTBXABIFGO-IFXFPORBSA-N 659.566 8.295 50 10 KKGE CCC(COC(=O)Nc1ccc(C)c(N=C=O)c1)(COC(=O)Nc1ccc(C)c(N=C=O)c1)COC(=O)Nc1ccc(C)c(N=C=O)c1 150633599 XHLFUMPVVXAFKO-UHFFFAOYSA-N 656.652 6.956 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCC#N)c(I)c2)cc1 163804601 OJLMQNMBFCIJEA-KBVAKVRCSA-N 686.291 6.328 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)c2ccc(C)cc2)cc1Br 164604931 KRAUQUAHZLPNPG-FMFFXOCNSA-N 635.584 5.992 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccccc2)[C@H](C(F)F)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195910344 PYMMPVAYGZWPSQ-SSBOKUKZSA-N 609.786 6.289 50 10 KKGE CC(C)[C@H](NC(=O)N(C)Cc1csc(C(C)(C)OO)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 212543636 OABLQOGZCAELNU-QJANCWQKSA-N 752.960 5.507 50 10 KKGE in-vitro C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214305361 NGDMUZLFLUEKQZ-CEUNXORHSA-N 550.659 5.820 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 214391540 BLIKEZAEHVJOOL-YSMPRRRNSA-N 575.581 5.257 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 235813947 IZLADRFYMXXQNF-CQSZACIVSA-N 579.295 7.215 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1OC 252619421 LOXXZIQBHPXXJM-UHFFFAOYSA-N 524.621 6.058 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 254480648 BOICRPAAESXTIS-UHFFFAOYSA-N 560.735 8.227 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254514441 SFQRFAZYHPDQSS-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1OC 254700787 BOEYRKONBPEMGK-UHFFFAOYSA-N 540.616 6.037 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1F 254752541 NXKOQGGVHABLNQ-UHFFFAOYSA-N 519.451 5.423 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254756724 CYDSUPPCLZJFFR-UHFFFAOYSA-N 539.749 7.080 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254839848 MEEIZZICBBETDN-UHFFFAOYSA-N 577.662 6.241 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 256281161 BLLAWDFADRSHFN-HGSXIDBXSA-N 591.664 6.972 50 10 KKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)Cc1ccccc1 380909776 KMMNLEKGHLYMCZ-UHFFFAOYSA-N 502.055 5.342 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c(F)c1F 398555957 BPTUNMWNUCQVCF-LLVKDONJSA-N 537.793 6.876 50 10 KKGE Clc1cc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c(Cl)c1Cl 405077185 KFLRKMCAZALIPF-SNVBAGLBSA-N 542.707 8.310 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(Br)c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@H](Br)C[C@H]21 504280213 YPBNVVVXYCUEAB-MHJSFLICSA-N 653.943 5.624 50 10 KKGE CC[Si](CC)(CC)O[C@H](C(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 504767955 SNFQGZFZXWNAEJ-PRWQVSJVSA-N 922.154 6.289 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2NC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616584976 NVNAXPUOVKQUAT-MHZLTWQESA-N 512.887 8.203 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 1083944115 IGQGEIVJPIVVML-HSZRJFAPSA-N 585.451 5.128 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)c1 1083998441 DQPASBSSSXHAED-UHFFFAOYSA-N 538.417 5.466 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084080746 AJXLSXMBOZWIFO-HSZRJFAPSA-N 545.861 6.044 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084274056 DUAFXHCWUMYSBL-UHFFFAOYSA-N 599.591 5.367 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 1084347039 OBGGQAFEQIGFDQ-UHFFFAOYSA-N 552.483 6.461 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 1084452341 WHXQFSIMVSAQHP-UHFFFAOYSA-N 708.369 8.302 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084617430 ODYNYYOGEBOQHZ-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Cl)CC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538085 QPRLUWUASKOVRZ-QFJQCLQISA-N 507.268 9.962 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751762 LTJPSNSWBXBVDN-UHFFFAOYSA-N 534.012 6.265 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Br)c1 1772755021 HDLGRCVTDWICPN-UHFFFAOYSA-N 647.414 7.165 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)cc1O 1865681464 NVDYIPCRXOBWCA-JOCHJYFZSA-N 505.361 5.535 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cccc(Br)c1 1865684494 QXOWBWWPUXBAGA-QFIPXVFZSA-N 501.359 5.718 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OCC 1865687263 NFWKWOFQYPJQBS-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693173 HXOQGEOIOORBRC-NDEPHWFRSA-N 541.051 6.674 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OC 1865697277 YZCOLYOGQGEUFH-SANMLTNESA-N 565.512 6.773 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865697363 QKYRTBJOCYSHCE-QHCPKHFHSA-N 574.435 5.331 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865698472 UUKIGASUEWVWTO-GOSISDBHSA-N 523.298 5.246 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707390 VVVCFUSJVJNKEF-GDLZYMKVSA-N 538.095 6.782 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709626 YMTGJAQONNWEPV-HSZRJFAPSA-N 512.953 5.177 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 1865714392 JEHHOVJSZIZJFE-HNNXBMFYSA-N 530.131 6.179 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867063413 KLWQTUBGRCXHCD-PMERELPUSA-N 562.720 7.079 50 10 KKGE CCCC[C@@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867195511 AKXVOEXBNSALFF-OAQYLSRUSA-N 541.471 5.842 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414671 OUZPWRUSPDTOJI-XMMPIXPASA-N 568.146 7.922 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 1868544810 KZBUENBWRUDOIJ-NDEPHWFRSA-N 562.743 7.043 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755754 DQUIWMUGANKNBQ-LACGIFFPSA-N 513.663 6.920 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc(Br)c1O 1872793084 HTCSXANXASCXEZ-CXUHLZMHSA-N 513.457 7.047 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)c(OC)cc1Cl 1872793671 MNOGGNMPACXPSA-UUILKARUSA-N 507.793 6.022 50 10 KKGE O=C(c1cc(Br)ccc1I)N(CCCBr)Cc1ccccc1 1914641233 YYGJHYMQJIYROB-UHFFFAOYSA-N 537.033 5.481 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924594167 KUPSYYUNNUKIIJ-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@H]2C3)c1Br 1924608821 NWOOQTGKYPKWMB-HQLZOWSPSA-N 507.911 7.052 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1I 2053623141 HGZIQECCIYXFAF-UHFFFAOYSA-N 603.154 5.057 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085499499 IYNYUUKZEQCXJJ-HTRCEHHLSA-N 568.767 7.609 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2137643946 WIFWKYQUVFFREI-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)cc2c1OCC2 2169667510 GPSSWXYJGMLYCO-CQSZACIVSA-N 511.954 5.612 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)cc1Br 2202353363 RIQFZMVGXCDHBK-CQSZACIVSA-N 595.294 6.963 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2203012033 UCYKZHHPRUANNY-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE C[C@@H]1OC2(C)CC1([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206396322 VKKJPDXNXPNNNV-UHXQQICNSA-N 552.326 6.974 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206397647 LNPSLQVENPWUGH-IUCAKERBSA-N 598.837 8.635 50 10 KKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397732 MGNKTVIZZKSPBI-PRHODGIISA-N 596.821 8.389 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC3(CCCC3)C2)c1Br 2206403184 XKHVKXXWBDPOOX-LBPRGKRZSA-N 594.805 8.143 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)c(C)c1Br 2227361378 CIXOCPLJQXMQKY-CYBMUJFWSA-N 515.869 5.809 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCC(F)(F)C(F)(F)F)CC1 2231720333 UFFBGLYIYDFTJG-UHFFFAOYSA-N 501.274 5.186 50 10 KKGE COc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2232091054 BPXKPJHSAVBHSB-VIFPVBQESA-N 509.872 7.073 50 10 KKGE CCc1nc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2232531198 YVRDDBLCBQBHPJ-NSHDSACASA-N 502.497 6.985 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2236515729 FIFLLOSHRRDWKS-ZDUSSCGKSA-N 594.805 8.143 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1ccc2c(c1Br)CCO2 2238067655 QVCUAYGRCOPIPJ-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)c(Br)s2)c1 2263447164 WUPLVNBETNEHMU-VIFPVBQESA-N 582.775 7.477 50 10 KKGE Cn1ncc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1I 2272726725 PWKQVKRJLFZUEP-VIFPVBQESA-N 526.344 5.156 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1csc(I)c1 2277900146 FWKFALQIUMJOKJ-LBPRGKRZSA-N 536.454 6.570 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)cc(C)c(F)c2C)c1 2279139184 IUDQARYYZREWLP-HNNXBMFYSA-N 511.998 6.602 50 10 KKGE COc1c([C@@H](Cl)c2cc(Br)sc2Br)cc(Br)c(C)c1C 2284584856 QOWJBUPOZPIJTN-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2296636139 MZGKOOYKDNBCKH-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505636 YKRJGZAOHDCFPC-LJQANCHMSA-N 531.107 7.645 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(Br)cc2I)s1 2300949407 LPAQQFRZAOUZSM-JTQLQIEISA-N 618.297 6.858 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 2313518722 PSFWUDCVHNPLRF-UHFFFAOYSA-N 583.382 6.031 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313568003 NHIYKCJAKBSXAZ-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc2ccccc12 2313568078 QXIJAMJEPOZJFK-UHFFFAOYSA-N 543.667 6.412 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592100 LUYCFYBAVHRVHY-XMMPIXPASA-N 504.011 5.804 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644626 XWEKETUEAVCWIZ-MGBGTMOVSA-N 647.942 8.461 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331362675 DQUWPIMQOBACCZ-OWJWWREXSA-N 501.608 5.939 50 10 KKGE Clc1ccc(COC2(CI)CCCCCC2)c(I)c1 2340109165 CEOCFBSJSBLEJP-UHFFFAOYSA-N 504.577 5.989 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361173939 JSRLMBQIHYYOER-SFHVURJKSA-N 520.208 7.901 50 10 KKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362224361 LKFGHNJAEXCUDL-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2ccc(Cl)cc2)c1Br 2362230980 UFHDTIFTFFKWPT-SECBINFHSA-N 505.834 7.336 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)c1Br 2362235106 KHTYNHJWIZFEBB-GFCCVEGCSA-N 617.703 7.699 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@@H](Br)C23CCCCCC3)c1 2364107721 VIIRSOCBRHEJGB-HUUCEWRRSA-N 514.039 6.309 50 10 KKGE COc1ccc(C[C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2364258432 MSJLXSVJHMYWFT-CQSZACIVSA-N 527.876 6.661 50 10 KKGE C[C@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CCCC1 2368846179 QMFWSEVVJAZZPN-JTQLQIEISA-N 515.027 5.222 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14666989 BYYPCZDNDRXZAN-UHFFFAOYSA-N 516.436 5.078 50 10 KKGE N#Cc1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(C#N)cc2)cc1 32016716 DPBQKBZXIUHZKL-UHFFFAOYSA-N 506.612 6.734 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(I)cc3)cs2)cc1OC 35519627 HZYOWJSBBHFDLV-LDADJPATSA-N 516.404 6.666 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650908 LHDQVDNZPFODLO-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38686155 PVLWXOFFUTWVKQ-SSEXGKCCSA-N 504.586 6.846 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 58891936 WUVRQTOYVPCGQZ-ZSYYNXLFSA-N 525.418 5.860 50 10 KKGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1Br 97729860 PBTVJOKUDNBZPW-LGJNPRDNSA-N 516.779 5.136 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229562 JJQNGOAADJZKJS-UHFFFAOYSA-N 577.056 5.277 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101334342 SSQKYFULYULIFV-QXGKLVPHSA-N 542.639 6.509 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C2=O)cc1 101340211 JAIQLEXOCWNPKQ-AJBULDERSA-N 572.665 6.170 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101340931 WQJDCXZCNMIVAI-SSDVNMTOSA-N 567.856 7.027 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 101363779 AXBSNNZVPZZJMA-GFUFCRMCSA-N 529.434 6.584 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382429 QWFSBHKXWCHMOJ-WYOOIXGGSA-N 560.650 6.728 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101395296 UOUUSHVXPLFSHU-LJAQVGFWSA-N 552.627 6.983 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3Br)CCC4)ccc21 101599252 NIRDUJWXCIKFNT-JGRMKTMXSA-N 583.486 7.201 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741754 OWPOGTADXYYOTO-QBHDBVHESA-N 577.287 6.092 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1 103877224 VHCYYAARUNSSKV-QLQYKETESA-N 608.536 7.875 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 128721960 XPPDJFBHWOGCMG-LLVKDONJSA-N 538.324 7.435 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc43)c2)cc1 150480131 HFKACMNLLJWTIS-VWLOTQADSA-N 690.794 9.044 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485371 SAFOFIFRPVKSLR-UUWRZZSWSA-N 659.566 8.587 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150577401 VJURSWFIHBWIBV-KEGTUQKMSA-N 647.562 8.768 50 10 KKGE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 204862909 ZIXYSUPSPWROPS-CKMVDKHJSA-N 522.799 5.254 50 10 KKGE in-vitro COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 206397452 TYCWOASLSJVBDI-MUOQATPKSA-N 505.574 5.555 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 252640032 YPUMCYQSCNKYEZ-JNJUDCSLSA-N 514.379 5.630 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254367832 ULCZCZUILIEWAI-UHFFFAOYSA-N 627.782 7.392 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC[C@@H](Br)[C@H](Br)[C@]4(C)[C@@H]3CC[C@]12C 254387013 ZUDMAHKBJVVHNY-SJTHWQIKSA-N 530.473 9.245 50 10 KKGE Cc1ccccc1C[C@H](C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 254487722 IKPKNTTZAUGABT-NDEPHWFRSA-N 527.462 6.813 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]12)[C@@H]1[C@@H]3[C@H]2[C@@H]1[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccncc2)=C1c1ccncc1 261493278 NMQSISRRZCVOFH-HLGHUJRHSA-N 588.663 5.470 50 10 KKGE O=C(CCCCCCCC(=O)NN=Cc1ccc(Cl)cc1Cl)NN=Cc1ccc(Cl)cc1Cl 263627278 PWXYHYKOPIXFFR-UHFFFAOYSA-N 530.283 6.631 50 10 KKGE Fc1cc([C@@H](Br)c2cc(I)ccc2Br)c(F)c(F)c1F 395613287 LBASDRUUQIVVOH-JTQLQIEISA-N 523.887 6.094 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCCO)[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504497654 SYROFTQISVVUNL-CKOYEXALSA-N 641.058 8.827 50 10 KKGE in-vitro Fc1cccc([C@H](Cl)c2cc(Br)sc2Br)c1I 721671114 DATJRTGINAHQEM-VIFPVBQESA-N 510.391 6.345 50 10 KKGE Cc1sc(C)c([C@H](Br)c2cc(I)ccc2Br)c1C 722486133 FRDQTMOEZVQUQX-CQSZACIVSA-N 500.037 6.525 50 10 KKGE CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3OCOC 725239675 VAFNSECFYVEGJC-TVQFXAOBSA-N 688.082 8.352 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C 936069108 SPHUIJWPZSWHEE-ZSZRKKGYSA-N 510.923 10.671 50 10 KKGE N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1083945397 MTGXVSHLGFYJGH-IZZDOVSWSA-N 530.003 5.966 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1 1083953693 MSDLXRMZGNMVEC-UHFFFAOYSA-N 535.069 5.478 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084319997 XWFXUXRIBMENKR-UHFFFAOYSA-N 532.431 5.406 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CSCc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084400898 HAXOMAHPPZUHAB-RASJINCSSA-N 601.772 7.887 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1 1084421075 RSRBODABJZFAMT-UHFFFAOYSA-N 522.652 7.777 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 1084451658 ZIHLAQZUKXHFMH-QFIPXVFZSA-N 625.155 6.517 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 1084487535 LKMMZTZOQYIRNQ-HSZRJFAPSA-N 529.406 5.530 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)c(Cl)c1 1084650396 WVRHNLNCGOUTRD-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 1565517816 CYZLLGFCXYKLTD-UHFFFAOYSA-N 502.574 5.782 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)[C@H](NCCNCCN[C@@H](c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 1615949620 MXZLJXZAEUNNFL-PIYFIQLCSA-N 771.791 6.638 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746374 DTBIOMUFUWMURY-UHFFFAOYSA-N 546.219 5.231 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748441 QICJLJATJUHVHU-UHFFFAOYSA-N 500.382 5.935 50 10 KKGE C[C@@H](N=[N+]=[N-])[C@H]1O[C@@H](Cl)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1848435225 KAPPXTKBLHJLHL-KGTZPBOISA-N 508.018 6.405 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665501 PDBJUWKMSORENK-YIMUQYRESA-N 658.644 10.881 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@@H](OC)[C@@H]2O[C@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@@H](/C(C)=C/[C@H]3CC[C@@H](Cl)[C@@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC 1857788305 KASDHRXLYQOAKZ-SHTGBLPBSA-N 810.466 5.719 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865690724 ZNZAQNJNNQRJDR-AREMUKBSSA-N 571.475 6.707 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865691538 VEKQJUZMYIWLSO-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865696254 YREUIWMJAZQXCL-QFIPXVFZSA-N 512.532 5.672 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1C 1865703468 WEHKENPTXRUALT-GDLZYMKVSA-N 536.632 5.948 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865705108 MJKVUYZXXMWUKB-DEOSSOPVSA-N 560.532 5.705 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705821 GOLZBIQDIQYRRE-QHCPKHFHSA-N 500.942 5.134 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705932 JPXWXXXKNYFJSB-JOCHJYFZSA-N 501.905 5.517 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867221164 NYPYNZDGBIBUNU-CLJLJLNGSA-N 549.668 6.252 50 10 KKGE CC(C)c1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)CC2 1868207389 LYGKFXASUPLOOI-PSXMRANNSA-N 567.762 8.660 50 10 KKGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872727262 KQJIQKKSEKGPHU-VCHYOVAHSA-N 522.793 6.213 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747073 MLGCTIHZLUKYQM-MNDPQUGUSA-N 520.792 6.786 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872749851 KMYFMAOGGAIYAK-BZZOAKBMSA-N 511.559 5.938 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OCCC 1872818148 ONXCCTPHWXZRPK-UVVVPPGDSA-N 506.668 7.771 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(Cl)cc1 1873793038 SRXRJOKHKLZYHR-YJGSSNSBSA-N 504.027 5.317 50 10 KKGE COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccccc1Cl 1873794931 JTEPNJQIFMPLFJ-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915260547 ZUOAVYJKVFJDOF-SFHVURJKSA-N 507.188 6.530 50 10 KKGE O=C(c1c(Br)cccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915261658 CXIKAHRBFPFVHU-KRWDZBQOSA-N 516.071 6.028 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1I 1923054601 HPBNGUWMRMUBRY-MRVPVSSYSA-N 540.873 7.168 50 10 KKGE CCC1(C)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568066 BGQJHSSGTGORJB-BCIJWEBZSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1Br 1924614572 PLUFDBJZSANFJX-HIFHUJBISA-N 521.894 5.895 50 10 KKGE CC(=O)[C@H](Br)[C@@H](C)c1cc(Br)c(I)c(Br)c1 1938596333 MTEMRUBMRMJRMV-XUOSJQGZSA-N 524.816 5.272 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)nn1C 2067855781 XHCHMTDHECXOJD-ZCFIWIBFSA-N 542.316 6.215 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2csc(I)c2)cc1Br 2082376408 HJARIMCZHVEPCC-LBPRGKRZSA-N 522.427 6.262 50 10 KKGE FC1CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493366 AWRYUKKKWYPLTD-GVNUUABZSA-N 528.279 7.155 50 10 KKGE Cl[C@H](C[C@@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2085496521 RRYNJNFNGCZBFP-IMTBSYHQSA-N 526.288 6.586 50 10 KKGE CC[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141470792 KWUHDSVPURZZEP-BLTYZCFWSA-N 548.285 7.698 50 10 KKGE Cl[C@@H](c1csc(Br)c1Br)c1cc(Br)cc2c1OCCC2 2150345102 ACUINYOOQUVPKB-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)cccc2Br)c1Br 2201082192 NOOOOILITYIQAT-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(F)cc1I 2206565671 HRLWFBCDVXINMX-CQSZACIVSA-N 513.970 5.994 50 10 KKGE Cc1csc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2218598159 QSFQAJBIIOFUSC-LLVKDONJSA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(I)ccc2F)c1C 2218786069 WCQQRMZUYQRXGA-LLVKDONJSA-N 504.000 6.355 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(I)c(Br)c1 2218810231 LRMIYFNYOFEMTL-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2237457884 LDJCECOCEIYGGL-ZDUSSCGKSA-N 546.322 7.615 50 10 KKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)c(Cl)cc1Br 2255970068 QYZCKLCPGVTSIC-JTQLQIEISA-N 542.287 7.312 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2257629636 ZSPUGYHPKUQMJA-WYDQCIBASA-N 545.938 5.295 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)c(I)c2)c1Br 2283576928 LJRAILWNELIIRY-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1I 2288489031 ORGHJBHUNCHDBH-LBPRGKRZSA-N 580.830 6.887 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1scc(Br)c1Br 2295264352 FAVXBCHCSRRDPF-NSHDSACASA-N 568.350 7.490 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2295276143 BZNPYYQWMRTMIO-AWEZNQCLSA-N 546.322 7.568 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)c1 2296848643 OIUOTYXQBAHVAG-UHFFFAOYSA-N 536.661 5.521 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570820 GUPARASDCSVRKD-UHFFFAOYSA-N 625.100 7.372 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Br)cc1 2313630591 CHFOYSXAPNNNMI-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 2313676655 PHUXMAGDINPGGM-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314593293 KXRXFZLCHRFBCI-RBISFHTESA-N 509.675 6.422 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593933 WBXJHZKWUOOJPN-QFIPXVFZSA-N 527.524 5.050 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618723 SKWGSYQPGUSPPR-UHFFFAOYSA-N 524.621 5.121 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1C 2314738033 GQQMFVBSXOWVIG-UHFFFAOYSA-N 578.621 6.026 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(I)ccc2Br)CC1 2319215581 ZTJHGZGBQCVLCB-UHFFFAOYSA-N 636.106 5.775 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331351695 QEFJQVRPCRKQMC-UHFFFAOYSA-N 513.525 5.877 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c(OCC)c1 2331386572 ODMUXARUWRYCRB-FQEVSTJZSA-N 517.651 6.324 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Br 2336073614 XNJWZDLZCBLOFE-FQEVSTJZSA-N 563.486 8.067 50 10 KKGE CC1(C)CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CBr 2349836835 OPDIOTAODBJAQA-CQSZACIVSA-N 501.044 5.439 50 10 KKGE Brc1cc(CN2CCC3(CCC(Br)CC3)C2)ccc1I 2377329917 BSPBAXYTLMNASV-UHFFFAOYSA-N 513.055 5.583 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14650731 KWJUEFIDOXVIDD-ZDUSSCGKSA-N 518.235 5.409 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38685240 ZLHYQYFPSWPQPE-JRPXNJEYSA-N 526.633 6.580 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38686149 SESZEWPYPVFMGD-PMERELPUSA-N 526.633 6.728 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 38687576 OYNQEFWFAYUTCP-KGFICCSSSA-N 502.655 6.986 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)sc2c1 38687748 LKOVLTIINTYTCU-JOCHJYFZSA-N 507.398 6.954 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 40812929 MTLPKRPRFXKXPM-VFCFBJKWSA-N 510.388 5.472 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 40951441 VSEKEVSNFVRTLX-VUTHCHCSSA-N 533.507 6.634 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100189735 AVBXUCSVHCINEK-UHFFFAOYSA-N 538.442 5.510 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 100232056 LKMMZTZOQYIRNQ-SLLOZXFSSA-N 529.406 5.530 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100261293 UJNJXRQBKXBQAB-IFXJQAMLSA-N 556.295 5.417 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240837 VQMCVZKCZDFAIJ-RAMZYJDASA-N 502.039 5.645 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245756 CPDCYNIJEYRLHB-IEQIIXMPSA-N 552.483 6.766 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101368252 MBVSYBDFSBHONC-LJAQVGFWSA-N 559.575 5.231 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101374915 ZATFZEYYEWSPDH-SSEXGKCCSA-N 573.602 5.621 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc([N+](=O)[O-])c5)ccc43)cc2)cc1 101378948 JUWLDORUUBOESP-LJAQVGFWSA-N 533.540 5.920 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384199 WDXXIBNNVCSNOF-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387230 ANXYTVIFHQVWLE-QPHCHLROSA-N 584.575 6.143 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101388608 AAPXHNTYJNOUGV-WEZXKFLESA-N 615.057 7.048 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCCC(C)C 101393425 CJRFNRPLOCPCMG-LJAQVGFWSA-N 617.496 7.375 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405835 UIADCKSTNXOYLI-OZVJIIIZSA-N 595.080 5.109 50 10 KKGE C=CCc1ccccc1OCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 102471129 CVHBXGKQPMOQCB-XLNRJJMWSA-N 559.669 5.432 50 10 KKGE O=C(Nc1ccccc1[N+](=O)[O-])/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102606291 OETGACAJOOQJSH-MVJHLKBCSA-N 587.572 6.346 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCN1CCOCC1 102834468 NLFTZGMSAFAFCM-QOMWVZHYSA-N 568.077 5.127 50 10 KKGE O=C(N/N=C/c1cccc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103738163 KUSCZAGOLBJKLD-IMUCOVGGSA-N 500.642 5.529 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(F)c1 103879675 VTZUIPVEHQHZOA-UVHMKAGCSA-N 544.320 5.528 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(NC(C)=O)cc1 104602128 NFCKSSBWQPNHCJ-HKWRFOASSA-N 528.590 5.267 50 10 KKGE COc1ccccc1N(CC(=O)N/N=C(/C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1 105436711 WVLSMTDGIGZKSU-HWIUFGAZSA-N 591.089 5.337 50 10 KKGE CCCC[C@H](Br)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920695 HOLIBVBKAUVEFC-NXPTXYGVSA-N 563.705 9.893 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 124625178 VXOXYUQHDQFRMI-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1Br 148971922 FKQAIVHYTVZCKH-JTQLQIEISA-N 524.297 7.173 50 10 KKGE CCCCCCCCCCCc1nnc(SCC(=O)N/N=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Br)cc2)n1-c1ccccc1 150356504 NHKJDKXNPREURI-SBWWSWLISA-N 757.759 9.106 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498097 KNHVDWMAQLIJCO-CXCRPJBGSA-N 645.785 6.061 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1 164629467 BBHDYEIOCDLDBP-IPBVOBEMSA-N 672.086 7.044 50 10 KKGE CCCCCCCCC[C@@H](I)CCCCCCCCO[C@H](CC(=O)O)C[N+](C)(C)C 198499562 DFLICWRDAYKGDE-DNQXCXABSA-O 540.591 7.228 50 10 KKGE CN(C)[C@H](c1ccccc1)[C@H]1CCC[C@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 199828558 CRDKMPRXRRQNBW-JIMJEQGWSA-N 659.495 9.666 50 10 KKGE C/C(=N\NC(N)=O)[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 200282359 PYJBIETYXDPCCD-DSJZUIROSA-N 574.681 5.993 50 10 KKGE CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 204862809 ODSRALKJXTXMBT-LGSZARPMSA-N 577.011 9.272 50 10 KKGE in-vitro COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 205669176 QALGBORQYKUNLA-CBSMRTRBSA-N 548.570 6.250 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 214297460 KCOKENIVJWIRFC-IMRQLAEWSA-N 524.621 5.345 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214360188 NAPRPUFEJSUGJL-IHTUBPMPSA-N 518.617 5.706 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214374678 JOJYSAWJAHJVKS-PKAZHMFMSA-N 566.654 5.825 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 221321546 AFEHGYWCWWNYJP-XZLPXGTRSA-N 697.162 10.901 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(/c1ccccc1)c1cccs1 253563646 FQOLSQQFHQMRET-MDVFONAFSA-N 538.702 5.952 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(C=NNC(=O)CSc3nc4ccccc4s3)c3ccccc32)cc1 254387417 PKGVUMWJHFLVNU-UHFFFAOYSA-N 520.661 5.039 50 10 KKGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)c1ccc(NC(=O)c2csc3ccccc23)cc1 254440700 KEAAUXWUUNGCLM-UHFFFAOYSA-N 588.755 5.712 50 10 KKGE C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254567446 VMKFDOASBXRIOF-QHCPKHFHSA-N 548.672 6.303 50 10 KKGE COc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254682293 GQFOEYLHKLTVKJ-UHFFFAOYSA-N 650.688 5.303 50 10 KKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc1C 254794056 AFDRCSQQCSZDBC-NAKCPXGCSA-N 560.658 6.412 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3cc4c(cc3nc12)OCO4 256020106 YKRJLPNOURCUEJ-MCXULEFBSA-N 554.485 5.808 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl 256025719 MDCBUTPELFXVJH-DKFMLRBVSA-N 606.574 6.888 50 10 KKGE Fc1cc2c(cc1Br)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390679990 XABQRURMIPZNNH-UHFFFAOYSA-N 500.843 6.769 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 405077144 KEOULDBCARWMBH-SNVBAGLBSA-N 545.256 8.043 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1083943501 WWBCQUZYYWHYQG-GDLZYMKVSA-N 679.939 7.673 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2ccc(C)cc2)cc1 1083969923 NPESERICSYWGAS-UHFFFAOYSA-N 614.715 6.489 50 10 KKGE COc1cc(C=NNC(=O)CSCc2ccccc2Br)cc(Br)c1OCc1ccccc1Cl 1084011286 DOURDRVQGWVQHT-UHFFFAOYSA-N 612.771 6.836 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084142184 WQGMTRBTCCYYAZ-UHFFFAOYSA-N 582.665 7.507 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1 1084163527 MPHIECFGLHVEEF-UHFFFAOYSA-N 592.721 6.262 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084216791 GHAHNWBMWHYQAG-UHFFFAOYSA-N 651.912 6.478 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084226782 UGDKWNQSEGSELV-GOSISDBHSA-N 555.441 5.514 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2cc(Br)ccc2o1 1084257143 CMIPCEMTLALMMW-UHFFFAOYSA-N 518.194 6.845 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1084291044 BEUOJMLFWXYXJY-UHFFFAOYSA-N 561.046 7.046 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1 1084404448 YVAASOTVHVPRTM-UHFFFAOYSA-N 587.698 5.409 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 1084476496 NHYPJYLLBXJLTH-UHFFFAOYSA-N 552.034 7.186 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1 1084485878 QORHRFYZXCPMFF-KRWDZBQOSA-N 504.881 6.449 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2F)cc1 1084486677 FDLUGFQGPLDXRA-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084560073 JTVBNILHEQQCQC-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084573731 DSZLHQUOPHRZHG-UHFFFAOYSA-N 589.117 6.156 50 10 KKGE C#CCOc1c(CC=C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084599423 GGIXYBNMJDPMMC-UHFFFAOYSA-N 503.602 5.966 50 10 KKGE CCOc1cc(C=NNC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084644918 UWKZARCDUSLNKU-UHFFFAOYSA-N 550.280 6.817 50 10 KKGE O=C(NN=C1c2ccc(Cl)cc2C[C@@H]1NC(=O)c1ccc(F)cc1Cl)Nc1cccc(Cl)c1 1088687214 DUFKKFKRPKGOIO-FQEVSTJZSA-N 505.764 5.666 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1772755323 AZOAUXJZJMSGDT-OAQYLSRUSA-N 559.460 6.621 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(C)cc1 1772755778 RRSMVNINRXVPNZ-UHFFFAOYSA-N 539.470 6.172 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685087 FFXJZKSDKPCMOL-OAQYLSRUSA-N 528.226 7.371 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OCC 1865691375 QGNSPDKNPLTVGS-MHZLTWQESA-N 535.088 6.723 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697760 BBBDSXXVLNSNLT-HSZRJFAPSA-N 553.457 5.610 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701486 WSHRGVJAWYUZLB-IBGZPJMESA-N 544.247 5.251 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865702992 KETJPQRLQLTEGX-GDLZYMKVSA-N 528.612 6.708 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706607 AGTJKMHSPQQVJA-VWLOTQADSA-N 528.996 5.496 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710154 PSMFTFBHEVYCOQ-AREMUKBSSA-N 515.529 5.827 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1OC 1866130415 TVBXDJKJDOBBQN-LICLKQGHSA-N 530.382 5.699 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866769816 WKHXDOSAENDGSH-FQLXRVMXSA-N 573.715 5.998 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)c2ccccc2)cc1 1866776143 LIWLXPUTOVBABC-YTMVLYRLSA-N 509.606 6.417 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872754013 YMVBRPZZJONBBO-PCKLGSBKSA-N 521.642 7.319 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)n2)c1 1872781822 UFUJYBKAYOYUBQ-KEBDBYFISA-N 523.441 7.777 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872791585 MOJSOKKSBDPFJO-LICLKQGHSA-N 525.388 7.548 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872794176 NJBAFRUZULRHOV-YBFXNURJSA-N 525.512 8.040 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914612409 GOXTWQYRXWBGQX-GFCCVEGCSA-N 537.033 5.480 50 10 KKGE Brc1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613356 RERRYRIAZVGRDN-RXMQYKEDSA-N 574.777 7.344 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)s1 1948826903 WGVNFHVHNODOHB-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)s1 1951019180 MJCUHTKZQNTTRS-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@@H](F)CBr)c1I 1951568385 UEWCLIJWIOCFCQ-LURJTMIESA-N 695.874 6.253 50 10 KKGE FC1(F)C[C@]12C[C@H]2[C@H](Br)c1c(Br)sc(Br)c1Br 2004505623 CEKRBKNRVTZKGT-AXDDTHNUSA-N 515.837 6.517 50 10 KKGE Cc1cc(CBr)ccc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2009621427 FXUAFPMVRRZXPY-UHFFFAOYSA-N 501.490 5.213 50 10 KKGE CN1C(=C(C#N)C(=O)CN(CC(=O)C(C#N)=C2Sc3ccccc3N2C)Cc2ccccc2)Sc2ccccc21 2042449296 SEKCGRLILJXVKN-UHFFFAOYSA-N 563.708 5.581 50 10 KKGE CCCN[C@@H](c1c(Br)sc(Br)c1Br)C1CC(Br)C1 2076167013 HHCSIBOIJAIFPW-HNQUHTCLSA-N 524.942 6.250 50 10 KKGE Cl[C@@H](c1cc2c(s1)CCOC2)c1c(Br)sc(Br)c1Br 2103247089 SZGANLADBQISOV-JTQLQIEISA-N 507.494 6.498 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2138256353 UUAKDNXMACWPFA-SECBINFHSA-N 554.323 7.182 50 10 KKGE C[C@@H]1OCC[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470468 HKCYSLWVRNPSGZ-MHYGZLNHSA-N 540.315 6.832 50 10 KKGE C[C@H](C1CCCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475808 RXBGDPNZBKLTSO-JMCQJSRRSA-N 582.794 7.999 50 10 KKGE Cn1ncc(Br)c1CC(CBr)(CBr)c1ccccc1Br 2143634072 LJSUSUMHMQWCEG-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)Cc1ccccc1I)CCO2 2143868067 KCTLTVDGYXINPK-ZDUSSCGKSA-N 507.991 5.667 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2148748634 DWQIVJWVLXIOIF-CYBMUJFWSA-N 531.839 6.606 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2c(I)cc(Cl)cc2I)c1 2173450367 PQEWGPSLKUPUQI-UHFFFAOYSA-N 642.294 7.307 50 10 KKGE COC1(C(F)(F)F)CC([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2182020242 RJYBSEOYMJFXII-NUQKGASQSA-N 501.000 6.375 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(Cl)c1Cl 2203447604 KSRVPIGSYOKYNA-GFCCVEGCSA-N 506.392 6.697 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2C)cc1I 2218796759 YLPSFTVVHVCONE-GFCCVEGCSA-N 500.037 6.525 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(F)cc1I 2218801712 XTONNRQUGPIXRN-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(F)c2I)s1 2233032854 WOUIVNSPWITTHA-GFCCVEGCSA-N 534.026 6.275 50 10 KKGE CCc1nc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2235604224 MVGCCBUKKHOITE-LBPRGKRZSA-N 502.497 6.938 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)cc1Br 2267218185 RHZYTWZDNIIECE-QMMMGPOBSA-N 604.728 7.561 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2270452231 GBRXVZCCSSNYEL-VIFPVBQESA-N 511.863 7.512 50 10 KKGE Cc1cc(C)c([C@H](Br)c2c(F)cccc2I)c(C)c1Br 2282894180 NRFPGOOYYFSSFY-INIZCTEOSA-N 511.998 6.602 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Cl)c(Br)c1Cl 2283559859 HQDGYYCRRZEUOG-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 2294187362 FLZVZBIYBORKTA-UHFFFAOYSA-N 603.254 5.865 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(I)c1OCc1ccc(Cl)cc1 2295187738 FECYVAQBARKEMX-UHFFFAOYSA-N 548.764 5.349 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506876 JKUSIKXGHYEEBT-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=CC(Br)=Cc1ccccc1 2297303888 JGGJUKZZMKMPFL-UHFFFAOYSA-N 505.441 5.715 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567289 IDRLWXZRJKPTPT-UHFFFAOYSA-N 517.416 5.700 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3cccc4ccccc34)cc2)cc1 2313616871 GEFPDVBTZXDPJG-UHFFFAOYSA-N 550.684 5.739 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1F 2313631359 OSNZDZKAINHZTK-UHFFFAOYSA-N 530.191 6.475 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccc(Br)cc4)s3)o2)cc1 2314433774 SROXOZPGXUBBDT-UHFFFAOYSA-N 624.516 8.326 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1Br 2314444278 KRIHWQCKQJUQDQ-LJQANCHMSA-N 545.134 7.953 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592367 RWFQKHDNIANKBE-RUZDIDTESA-N 502.039 6.330 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314610128 CWXNKVRPAIVHPO-JOCHJYFZSA-N 522.649 6.273 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314616823 KNHVDWMAQLIJCO-AREMUKBSSA-N 645.785 6.061 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618145 IDJZCGOXTWGJBB-UHFFFAOYSA-N 566.702 6.292 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314619931 HGOMQDDHQVOAQN-UHFFFAOYSA-N 549.974 5.893 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314620369 OICWBIXAIXQMTA-UHFFFAOYSA-N 574.706 6.495 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620982 XTAHXEPCWMQBLL-UHFFFAOYSA-N 514.528 5.735 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640690 NLXKORXWIOOIKY-HKBQPEDESA-N 638.334 8.716 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1OC 2314748383 ICEFWQVOGSBZNG-UHFFFAOYSA-N 580.637 6.203 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C(=O)OCCOc2ccccc2)c1C 2329639362 IHWWEMLEGUNRKD-UHFFFAOYSA-N 522.554 5.154 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 2329703405 PFAIHBWTYPWAHX-UHFFFAOYSA-N 520.607 5.943 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 2331237012 RYFBUGOTYQMGBT-UHFFFAOYSA-N 501.564 5.212 50 10 KKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405538 URYXSVFMSHBKEZ-UHFFFAOYSA-N 503.367 5.812 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1Cl 2331472009 ZOPYAHZGLCTJPE-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE COc1ccc(C(OC[C@@H]2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2333240202 URLPBMMJULLWTE-LIZXZMAFSA-N 750.990 9.463 50 10 KKGE BrCC(CBr)(Cc1ccccc1)Cc1sccc1I 2338750362 RKSQCEFSZNBCTA-UHFFFAOYSA-N 514.064 5.914 50 10 KKGE Cc1cccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360434410 ISMZCEYLOVVKFC-LBPRGKRZSA-N 508.383 7.136 50 10 KKGE Cc1nn(C)c2sc([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)cc12 2361196437 XUURDJCUCKDDQY-HXUWFJFHSA-N 506.263 6.769 50 10 KKGE C[C@H](Br)C[C@@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377327078 OSQRTPAPABAXTH-JSGCOSHPSA-N 515.071 5.972 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1OCC 6167473 SUXDAHSLRUDPHK-OSOATCBPSA-N 621.756 6.161 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 33646784 GZLPBXHREHHBCL-WQRHYEAKSA-N 516.450 6.774 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 40514531 YRNYMVLVYFHLOJ-OVVQPSECSA-N 506.606 5.863 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccccc1 40950998 FEOVXNKPPMISBF-RWPZCVJISA-N 511.416 5.689 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1 100233715 UMIYTXBMSQAZIY-RQUFEXHESA-N 605.529 6.943 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1 100236424 BSVGVFKVXGRJCZ-XTYFKDDUSA-N 551.481 6.119 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246431 ZMRFMZWFZPUGGD-OMBWOSJFSA-N 501.583 5.462 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101372367 GLURDQASTPQMOR-GHRAFVERSA-N 570.686 6.808 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101375028 MULIGQBUSOGYMR-PMERELPUSA-N 573.602 5.621 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 101377720 NAEMUFJHOQNJBF-PMERELPUSA-N 557.603 6.147 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 101377890 VJWCWGLTFWFUOS-SSEXGKCCSA-N 557.603 6.147 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381878 NJUBVCMKUUPUIW-DHUJRADRSA-N 564.641 7.221 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383660 ZWNAQDLHLDSWON-HKBQPEDESA-N 552.558 5.616 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384290 WVQNMTWKACIRMD-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387581 MDLXCTMNIIGNBX-LJAQVGFWSA-N 591.422 7.157 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(F)cc1 101389369 FIEVOGOTLCHIDM-MGBGTMOVSA-N 596.611 6.015 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396048 BSDJBTNQBVUXQP-XMMPIXPASA-N 551.451 7.434 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)sc1Br 109870063 ROHAILQOMDEWMB-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 150428832 CFIPGKAZSIAETO-XIFFEERXSA-N 631.512 7.482 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2cc(Br)ccc12 150482628 ZNJPUVMQLQKPHL-SSEXGKCCSA-N 676.350 8.827 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 196917275 FTCJOOMHYRJOAM-ITHRCTNCSA-N 590.792 6.407 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 205650820 WYJZCNWSUTUAJI-HYHYNDMCSA-N 524.617 6.266 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 205666632 DTLKZUPDTFPMGL-APTQZGAZSA-N 532.571 6.550 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214279879 DNACNBWIBOSBPE-WHWSBJMGSA-N 631.758 5.752 50 10 KKGE CCOc1ccc(CCCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 254485009 YBSQNMNKNZAVDY-UHFFFAOYSA-N 504.583 5.265 50 10 KKGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254812580 MXBRRNMDJANONX-UHFFFAOYSA-N 501.542 5.092 50 10 KKGE ClCc1cc(Oc2c(I)cc(Cl)cc2I)ncc1Br 311422811 LBKORNHAKWJLFD-UHFFFAOYSA-N 584.804 6.238 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H](CI)C1 394801929 UPXMNIXNLKHECZ-BBRMVZONSA-N 506.167 5.486 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H](O)CCCCCOCc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504222447 WAZIOJYYGXJHLC-YAFWASLJSA-N 616.919 8.022 50 10 KKGE in-vitro CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616585897 GEYKFJRDKMXPMQ-BALJOQLGSA-N 702.964 7.691 50 10 KKGE CN(CC1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)C(=O)OCc1ccccc1 725239124 XCUDBIGADQYQHI-RUZDIDTESA-N 594.055 5.807 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OCC#N)cc2)cc1)S(=O)(=O)c1ccccc1 725441284 LDURYISPRGADQN-UHFFFAOYSA-N 573.074 5.710 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084006777 MCAHNRGCTQHVMR-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nc2ccccc21 1084124480 LTWHMJZWZMANMB-UHFFFAOYSA-N 551.510 6.420 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1F 1084251780 BQXRUZZJZTZDGS-PXLXIMEGSA-N 550.428 5.432 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1C 1084324267 BQEUFHKZRTUQNK-UHFFFAOYSA-N 635.337 5.595 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 1084649050 NZZCENQGWFNKFU-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749068 WGXSQVGZNBNOQS-UHFFFAOYSA-N 558.421 7.123 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)c(Br)c1 1772755993 JEEXXBNTFXMUDL-UHFFFAOYSA-N 525.443 5.827 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1c(F)cccc1Cl 1865685897 ONUOKEKULZKKEX-OAQYLSRUSA-N 509.343 6.402 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686420 VRGQGMZXUKBZBT-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865687081 JDHQKXULMNCALN-XMMPIXPASA-N 540.586 6.363 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690226 LYQFPPFGEAFHIW-GDLZYMKVSA-N 528.587 6.535 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693379 NSMDMRBNSKBZSV-MUUNZHRXSA-N 508.597 6.129 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865695950 JGAWGBMQPFXOFM-GDLZYMKVSA-N 569.105 7.438 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865701854 GVVFIHWJSYVPHI-HHHXNRCGSA-N 523.612 5.810 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703092 MUPCGLBHXDYKDC-HKBQPEDESA-N 548.687 6.697 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705483 WUBRIZLZJOEYKN-NDEPHWFRSA-N 577.015 6.828 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1865710901 LBMOFBBUNGKLBO-QFIPXVFZSA-N 506.915 6.489 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973535 LFIYNFJCCXUSFY-IZZNHLLZSA-N 582.589 6.819 50 10 KKGE Cc1nnc([C@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867026800 FEMYXCAXNZQESF-FTJBHMTQSA-N 557.701 5.530 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868341991 GWYAHPUXDVNXEO-UHFFFAOYSA-N 521.134 6.499 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 1872746514 LKWNMBMFPZGUFR-FPOCJBQTSA-N 503.580 5.150 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1872756196 UJZUUNLIQRFPAH-QOCHGBHMSA-N 500.451 6.946 50 10 KKGE Cn1ncc([C@@H](Br)c2sc(Br)cc2Br)c1I 1922894254 ZCIWJNRKTOHJNB-SSDOTTSWSA-N 540.844 5.096 50 10 KKGE Cl[C@@H](c1csc(Br)c1Br)c1c(Br)sc(Br)c1Br 1924571267 QDVXGUVASGNXPE-LURJTMIESA-N 609.222 7.950 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(I)c1 1924595808 FADGXMJZEXGKSZ-VIFPVBQESA-N 589.287 7.108 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(I)sn1 1983286088 MCXOVWCRABRHFR-RXMQYKEDSA-N 533.863 6.316 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012793 ZABGVVSMPPOCTH-WLKOTFGFSA-N 728.779 12.831 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2I)cc1 2053623088 DNCMONIRVPVNSP-UHFFFAOYSA-N 699.670 6.891 50 10 KKGE Cc1c([C@H](Br)c2ccc(Br)cc2Br)nn(C)c1Br 2083335899 ZJFPJBUPLSHKOX-SNVBAGLBSA-N 501.842 5.500 50 10 KKGE O=[N+]([O-])c1cc(Br)c(Oc2nc(Cl)c(CBr)s2)c(Br)c1 2155313807 NKPQMILYEUIKRX-UHFFFAOYSA-N 507.385 5.917 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1c(Br)sc(Br)c1Cl 2163395909 KHZZZXCIYGEUII-XPUUQOCRSA-N 513.467 7.578 50 10 KKGE ClCc1cc(Br)c(OCc2cc(Cl)cc(Br)c2)c(Br)c1 2166828657 ZUQJAGMSBOYGQR-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201068723 SNPSSRFOVZVZGG-ZDUSSCGKSA-N 529.896 6.292 50 10 KKGE Cl[C@H](c1cccc(Br)c1Br)c1c(Br)c(Br)cc(Br)c1Br 2206394519 HOTVYQHWDSCRNB-CYBMUJFWSA-N 676.060 8.590 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2218598977 XPWPYYICQZKIPL-SNVBAGLBSA-N 505.805 5.331 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2I)c1C 2218788019 BDSYORDBXXZOMT-NSHDSACASA-N 564.906 6.979 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 2225635714 WTGYFOBKIVLLQB-ZDUSSCGKSA-N 583.258 7.046 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2235615151 OJNDJWDWGFTFOE-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)cc1C 2236015296 WIHGSMVPTUUKDK-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)s1 2272722125 PWGTUKVXQTXHCS-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE FC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 2277709525 ZCRKZSWKXCEXAL-SSDOTTSWSA-N 519.427 7.444 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2I)c(C)c1F 2279158199 SHZYARNABMUQMQ-CQSZACIVSA-N 511.998 6.602 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 2297457068 KUCXONNOPRBYPJ-UHFFFAOYSA-N 500.498 6.238 50 10 KKGE C[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1 2297458886 MHNBABDBYLZMOL-LBPRGKRZSA-N 500.407 6.084 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 2297461831 DGVGIXBAARUMGE-UHFFFAOYSA-N 547.731 7.092 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521294 DOGJOXGHIPGYGS-UHFFFAOYSA-N 550.409 6.498 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313546018 WNTLDKQFYJUWPY-UHFFFAOYSA-N 650.198 7.353 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 2313570684 CZJXZAYTKXSYDN-UHFFFAOYSA-N 508.361 6.755 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Cl)cc1Cl 2313630959 IMKQGXXKFKAZMU-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Br)cc1 2313631170 LQQPEPHWTRFSDO-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE COc1cc(C=C(C#N)c2nc(O)c3cc(Br)ccc3n2)ccc1OCC(=O)Nc1ccccc1 2314488095 IVUJHWBMFUEYED-UHFFFAOYSA-N 531.366 5.188 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314611123 RAZDCEMNJFRBDO-UHFFFAOYSA-N 520.592 6.485 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314611587 XQTREPKIUCCMIB-UHFFFAOYSA-N 542.639 6.511 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 2314617170 SBTFFNJZYNSTGE-UHFFFAOYSA-N 584.632 5.934 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643330 RNZOWTZJNDLWSR-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 2314777691 QAQYHEIKQCCPPV-UHFFFAOYSA-N 510.590 5.716 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 2331410933 SZPABWPXCRRDFW-UHFFFAOYSA-N 520.010 6.351 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)sc1Br 2335369791 VSZOCWRAHFSPSV-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccccc2I)c1Br 2337114089 NDCRGFZVLOXGGR-NSHDSACASA-N 583.258 7.093 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc2c1CC[C@@H](C)C2 6167567 CQBWACGTHDQXQT-CNTAWXSCSA-N 621.756 6.017 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 7018834 CCOWGSVXXGLQRJ-GPSDDGMOSA-N 508.430 5.736 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)ccc1Cl 38679869 YMKGIMYNDVBYGT-QHCPKHFHSA-N 515.780 6.158 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38681666 VUGVYMZCRWKBCY-HHHXNRCGSA-N 504.970 5.640 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 38683970 TZGOUZMYQLOBAE-SANMLTNESA-N 515.522 5.220 50 10 KKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 40815448 HDTKGNWVMFFTND-MHTZHOPKSA-N 506.602 6.413 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCc6ccccc6C5)c(C)c43)coc2c1 40826959 IEKHEYREOXUGOV-FEZSWGLMSA-N 509.606 5.549 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2c(c1)OCO2 58895140 NNCKAZYOXPDLAZ-WUKQQSQZSA-N 516.594 5.085 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1OC 65001347 VJVFLWYSPRFEMZ-HMMYKYKNSA-N 513.476 7.260 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 100122011 RYNOLKOEBSOOGR-LIWTUZSWSA-N 560.492 6.400 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100163426 AFTXYQOTCJOLNF-UHFFFAOYSA-N 531.234 5.115 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101335061 UXDMKTARZZPSAA-UXHLAJHPSA-N 542.639 6.427 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OCC)c2)cc1 101373992 JUZASRPYXVSFBI-SSEXGKCCSA-N 540.616 6.266 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCC(C)C 101374390 CODWLSMUHWLSEV-HKBQPEDESA-N 542.632 6.056 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 101374811 XOTQWNAYTSWBTO-PMERELPUSA-N 563.050 6.510 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381263 DMNRHLAKYLYBDK-YTTGMZPUSA-N 615.513 8.045 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382107 LHOXQOCSPKVJOI-KACQLMOOSA-N 544.607 6.420 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383523 WCNLXEZVAKFNSQ-PGUFJCEWSA-N 599.086 7.875 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385189 XKTWBKQBIFSFPZ-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101385203 IRZFQGKYFACUFV-JGCGQSQUSA-N 593.592 5.693 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(C)cc1 101385300 UASIJYNOENSJBQ-YTTGMZPUSA-N 608.647 6.046 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386255 OOPHGVIERZCAEM-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389722 LSSGNYJNACDSRV-JGCGQSQUSA-N 550.586 6.170 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OCC 101395392 QCVHDVBTCXJIQV-PMERELPUSA-N 625.549 8.187 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101399533 WPTVMZKQTHXYFM-LJAQVGFWSA-N 621.448 7.166 50 10 KKGE COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2F)nc1-c1ccc(OC)c(OC)c1 102347640 PCTAXGIXRUNTDC-UNOMPAQXSA-N 546.580 5.148 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c1 102991470 UKFBTUPFEWZXKK-XLNRJJMWSA-N 539.686 6.244 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103796662 CMRGWCAWDLKRDC-MZJWZYIUSA-N 521.314 5.252 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCCl)C(=O)N(C3CCCCC3)C2=O)cc1 103839917 ANLBBGSPMGOOOB-NJNXFGOHSA-N 503.083 6.562 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)O 103878733 BYXODRHHLXTAGD-KBVAKVRCSA-N 531.996 5.732 50 10 KKGE O=C(Nc1ccc(C(=O)c2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 105684904 QHOJDBJZJATNAE-UHFFFAOYSA-N 508.442 5.181 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462461 SWGKMUYNKKAYPF-WJOKGBTCSA-N 671.931 8.182 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1Br 156094708 XQGMOWDOPWWHJH-LBPRGKRZSA-N 501.813 6.598 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 164012551 SKMWMBXOQQDIFR-XZYGTATASA-N 668.732 6.747 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)c2ccc(C)cc2)cc1Br 164604131 XNYGZKFFUYXOFZ-VTNSRFBWSA-N 636.524 5.654 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1 164623878 RHBYDXFZFCCNGG-UACWCTJZSA-N 654.608 9.440 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205642615 FPIPVYIGTIVHCA-MRYVLCKJSA-N 508.618 6.610 50 10 KKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(OCC)cc2)c1C(=O)OCC 206986904 APSBRMAPUTXRII-PGMHBOJBSA-N 504.608 6.325 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214273928 JQGVULJBYJXFJV-QVISHHADSA-N 506.606 5.419 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2OCC)cc1 254378653 WVJUIWZDPRFYPT-UHFFFAOYSA-N 518.610 5.664 50 10 KKGE CSCCOC(=O)COc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 254555409 OHQASALXFSZQQV-UHFFFAOYSA-N 508.665 5.169 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254622126 FSWITAMKGXHRMA-HQNZRIDASA-N 528.594 5.149 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccc(Br)cc1 254873705 NOXUJOOYIZEUKZ-UHFFFAOYSA-N 610.302 6.676 50 10 KKGE COC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256019766 CVKNBOURFHAAAB-BULFRSBZSA-N 589.118 6.218 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 380122582 RDWQCMVIXVAROG-CQSZACIVSA-N 511.954 5.612 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](COCc4ccccc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2n1 616584561 DNQQQUKMIXASQI-ZYIXCEKPSA-N 757.946 7.292 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 725239167 ZFPJIDJKLCVWHD-RUZDIDTESA-N 535.031 6.561 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817428 AQLURWHBCUUICR-FGYCKQOTSA-N 710.852 7.267 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2ccccc2c1 1084060553 NTMSNERKPGVBIT-CIAFOILYSA-N 582.281 8.042 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084155478 QLLGNVWNBBPXOX-UHFFFAOYSA-N 526.478 7.071 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 1084156186 XOVXGFDMTFOWTM-MHZLTWQESA-N 520.601 5.504 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1Cl 1084281342 GRSKSXHRVSBIEQ-NHFJDJAPSA-N 542.079 6.302 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c1C 1084469891 OYHNOLZTTFPFKO-UHFFFAOYSA-N 532.507 7.221 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4cccc(Cl)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084564654 ISOVMEYNUFAMEG-FSGGQHMVSA-N 562.135 6.957 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084644991 QSWBBXSFIDGMJJ-UHFFFAOYSA-N 593.712 7.602 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\C=O)[C@@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O)O1 1307286690 NKOQYQIQXGIMOO-VQJIFJBDSA-N 642.865 5.316 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)C[C@@H](C)O1 1554268958 VERWNHHSYSJYHR-NHNPKLJZSA-N 578.698 5.288 50 10 KKGE COc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719975 AQALZRYIFTYAAH-UHFFFAOYSA-N 830.844 5.355 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3Br)cc2)cc1 1772753772 IGLAXEPWDIMBTR-UHFFFAOYSA-N 529.434 6.533 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OCC 1865687391 QFHUMVQKVCXDSY-LJAQVGFWSA-N 568.649 6.542 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OCC 1865689117 KDIFXOUAYJHUDR-MHZLTWQESA-N 540.595 5.762 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865691166 LJBCXWPBTTUCHM-AREMUKBSSA-N 562.592 7.230 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865691620 WWNSMYNPZOCKJE-JOCHJYFZSA-N 517.468 5.796 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700863 GFSUPSBFPUQBSG-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701317 SDTLJCWRNCYMNA-SANMLTNESA-N 531.443 6.929 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706718 DCRGASCUIHLEME-HSZRJFAPSA-N 514.969 5.442 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712375 WVLQDLQBLPKZCH-YTTGMZPUSA-N 554.650 6.811 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866660047 OBXQXCDLPUVAJS-AREMUKBSSA-N 560.676 5.962 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866740706 NDELHPRCDPIZNB-WDYNHAJCSA-N 531.697 7.018 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867214493 SWHMMINEPWGSDD-RBBKRZOGSA-N 564.571 6.037 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1C 1868300890 JQUSOTUDAUHTAR-SANMLTNESA-N 535.673 6.938 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1868387885 BHAHHFDPVBAZDY-UHFFFAOYSA-N 522.122 5.785 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414335 LLLHAPXQCMKWNW-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](Oc4ccccc4)C3)n2)c1 1868504938 AXYCTYUJRTZTLF-RUZDIDTESA-N 509.635 6.517 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)n2)c1 1868506121 QVMFYDYTBZVFQJ-UHFFFAOYSA-N 552.660 6.836 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)c(Br)c1 1872745758 BMFMCPGNDONZJG-FXBPSFAMSA-N 503.849 7.440 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)c(Cl)cc4OC)cs3)cc2C1=O 1872757217 VGISXURXPPOXQQ-GYXJVLCKSA-N 507.999 6.125 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1F 1872792106 FGTXBSLGWNYXBY-RGVLZGJSSA-N 506.986 7.263 50 10 KKGE O=C(c1cc(Cl)ccc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311901 IDEQRGYHSXUCTB-GOSISDBHSA-N 518.620 5.761 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1F 1924599476 ICXOGTQZVZVCDX-LURJTMIESA-N 543.822 6.937 50 10 KKGE CC(C)(C)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924608649 LHCWOJKBPHJYIB-GFCCVEGCSA-N 501.509 7.661 50 10 KKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616669 ROVYFBUMPISEOH-PSASIEDQSA-N 525.970 7.790 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1csc(Br)c1Br 1937734561 LPQRAZULKAFZFS-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE C=CC[C@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C3)C[C@H]1O)[C@H](C)C[C@H]2OC 2037666385 YGXDKYAIMAMUAT-WGDONRMESA-N 920.311 7.460 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCC[C@H]2C3)c1Br 2085495498 QWCJYFFINIKQHY-SQPCXJJOSA-N 566.751 7.363 50 10 KKGE C[C@@H]1COC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495679 RVUCIMHJVMAFNB-JPOPXJHUSA-N 526.288 6.299 50 10 KKGE C[C@@H]1[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085498784 CVLALBWZMDCJKF-IOGOLJMUSA-N 576.693 7.074 50 10 KKGE Cc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2138852574 OKEPJGDUELDCII-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCOC[C@H]21 2141468272 IPNLRYSRXLXCHC-FITKCZHHSA-N 538.299 6.299 50 10 KKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470345 ZXTFYGAYMZKTJI-LKTFFMQISA-N 546.269 7.308 50 10 KKGE Cl[C@H](CCC1CCCC1)c1c(Br)c(Br)cc(Br)c1Br 2141476666 DYRDJNSWPOBJSH-LLVKDONJSA-N 538.343 7.987 50 10 KKGE CCCCCCCCCC[C@@H](Cl)c1c(Br)sc(Br)c1Br 2164487480 MWBJNMQQMJCMAV-LLVKDONJSA-N 509.573 8.846 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)Cc1ccccc1I 2203837039 VGHOTBYYRQOJPG-ZDUSSCGKSA-N 510.007 6.049 50 10 KKGE Cc1c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)nn(C)c1Br 2206398100 QUENPWUITOHNFG-SNVBAGLBSA-N 615.183 6.869 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ncsc2Br)c(Cl)c1Cl 2217613967 UFDRSSLKDOSJOX-LURJTMIESA-N 515.279 7.113 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 2224052096 KEBQSQOZVFNPSU-NSHDSACASA-N 564.906 6.979 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Cl 2232519159 IYEVZZLHYBZJNV-SECBINFHSA-N 505.863 6.353 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233978216 ZCBZDAWMYIXIRI-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1I 2238077427 TVOROXVVOYPCST-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Br)cc1I 2269533178 DLEMJXXKQSWOGT-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC 2295956251 NWOCRXAWIPUCFD-UHFFFAOYSA-N 678.948 7.566 50 10 KKGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1 2296463516 FUHMTPPNCBMUAR-ROUUACIJSA-N 615.152 5.050 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1Cl 2296545560 ZSAPGHRJQNVBAC-UHFFFAOYSA-N 507.981 6.694 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556364 XCVNEVQYHQIKIZ-UHFFFAOYSA-N 581.841 6.271 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1 2313562302 LNDMMDJJQDHVIF-UHFFFAOYSA-N 570.556 8.422 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccccc2s1 2314414887 PXBMCXMWMFNCFT-UHFFFAOYSA-N 545.067 8.446 50 10 KKGE O=C(CCCN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 2314489917 UGZRYGPDJACTJR-UHFFFAOYSA-N 551.159 5.651 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 2314617015 PABNSPPBGAGZTP-UHFFFAOYSA-N 520.633 6.253 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314647002 YQNNSBASVFHZDP-HHHXNRCGSA-N 650.782 5.577 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccccc2Cl)cs1 2331265884 LUZCTEHDECHFBZ-UHFFFAOYSA-N 505.426 8.202 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 2331282472 ZFCUMXJUDCEFEE-DEOSSOPVSA-N 507.571 5.519 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCCC[C@@H]1C2 2333303676 OVZGJTGBWRLQIV-IYCUSSIYSA-N 536.327 7.597 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051652 UGDGNXRXLXOJFV-FQEVSTJZSA-N 547.031 7.553 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2337082607 OAAXNYWOSUMDPS-IBGZPJMESA-N 519.035 7.911 50 10 KKGE CC1(C)C[C@@H](Br)CCN(Cc2ccc(I)c(Br)c2)C1 2349827693 JHXMHMCLTKXMNI-LBPRGKRZSA-N 501.044 5.439 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2364050605 HXQDWOYSKNEKJX-QMMMGPOBSA-N 724.503 7.479 50 10 KKGE BrC[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(I)c(Br)c1 2377319449 XYWUETXOMNPJKU-HEHGZKQESA-N 513.055 5.582 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 935383 RBBOPARJSZWUTF-PESPDQJRSA-N 577.287 6.092 50 10 KKGE Cc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 8557193 HHEDZVDCMNNGSH-JOCHJYFZSA-N 520.662 5.972 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38660285 VWOWYSKKPQHYPC-SSEXGKCCSA-N 528.605 5.775 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)oc2c1 38687865 XDWHSJXEQAPNLD-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)o1 38688685 XVWRJARSQGTTKH-JOCHJYFZSA-N 505.324 5.843 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811798 LDAWZJUFNVSKPQ-OVVQPSECSA-N 500.780 5.727 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 40853640 RBRIAHSNUFUFPY-XMHGGMMESA-N 518.395 6.113 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 58889927 SJQCUNGQOAUQOR-KJTWNORHSA-N 502.998 6.045 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)c5ccccc5N(CCCl)CCCl)CC[C@@]43C)[C@@H]1CCC(=O)N2 95857121 ZHLHJJXYMZLGKL-QPNSFPETSA-N 549.583 6.407 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100186792 CLGXWOWHNJQMSY-UHFFFAOYSA-N 597.535 5.610 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12 100224673 UOPXKJKCNAPMAR-ZAKCXRRJSA-N 534.656 7.009 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(I)cc1 100238199 URHASURJQKWJKC-KPHTWCJLSA-N 628.507 5.970 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246374 PVBQWJYWPLAESM-UZEPBSNMSA-N 546.490 6.439 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101340993 VSLLOIHOCRVUEV-ZTKZIYFRSA-N 566.658 5.654 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc21 101368859 FDKUAOWTORUMLY-DIPILFDCSA-N 537.797 5.948 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379493 CSNBFZBBIOAEFJ-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379872 GSSQBLLBEXROPM-UUWRZZSWSA-N 573.048 7.438 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380017 FIHQTJZLCUPCHX-ULKXQASOSA-N 595.095 7.633 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385686 XYJXCZKHGISCQU-VQFOKPCISA-N 621.133 8.062 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385903 OORCZIDCVGWBPG-UMSFTDKQSA-N 611.094 7.254 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386750 RZJYWHZDHSVUFD-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1F 101386855 YGGDVLRIKULQJG-JGCGQSQUSA-N 601.030 6.578 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Br)cc1 101391407 SSQGEIMQJSRJMH-HXUWFJFHSA-N 572.267 7.408 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)oc2ccc(Cl)cc12 101394086 APWBKOWJZJMTRT-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCCC(C)C 101395803 IMCLDHFXCLLJMN-PMERELPUSA-N 552.627 7.002 50 10 KKGE N#C/C(=C(\C=C(/CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 101512747 RZESJTSGYIQQFP-WSGZFUHPSA-N 506.508 7.664 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612083 YERJEZYIRFPSJD-NDZAJKAJSA-N 544.391 5.169 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 101632429 BJJCGFUXDVMFCP-ZMOGYAJESA-N 528.241 5.318 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCc1c(Cl)cccc1Cl 101712913 XXMFQZJSAQXVAR-KKMKTNMSSA-N 538.225 5.873 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 102667336 MJVKEZNDDPTAJQ-ZDDKYUFNSA-N 536.484 6.984 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1 103796894 TXVABEVWBFOCTI-FJEPWZHXSA-N 533.809 7.345 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 103880500 YGVUVSBOLGCTOQ-GUBAARJWSA-N 569.661 7.222 50 10 KKGE C/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1c(C)n(C)n(-c2ccccc2)c1=O 106693578 XZAFCGXQWMFJMG-IZHYLOQSSA-N 504.594 5.752 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1 150461680 CQMHYABPPNABLS-VWLOTQADSA-N 624.518 6.172 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 195910671 AQLURWHBCUUICR-JEDFLNCRSA-N 710.852 7.267 50 10 KKGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 206544118 NOCLMBPPEDPHLO-MIDMBNTASA-N 508.530 5.195 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214286309 HKBMNYJXFHQOQZ-MIXAMLLLSA-N 562.601 5.496 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214391041 LKRPGWFWKXQJCK-MIXAMLLLSA-N 544.611 5.739 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)nc2ccccc2c1=O 254308194 QSPCXGPGAJZEQJ-UHFFFAOYSA-N 528.637 6.243 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2C2CCCCC2)cc1 254701897 JNFVAHNNLFHFMJ-UHFFFAOYSA-N 509.679 6.668 50 10 KKGE CC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 256069043 SQMOQKQEYJNUJJ-FOGXCCPHSA-N 635.047 8.979 50 10 KKGE BrCC(CBr)(Cc1ncccc1Br)c1ccc(Br)cc1 312687779 ODJWBAPYRWVMFD-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 388231530 FZJQJBPEZFVHIY-XXILOJSOSA-N 571.418 5.259 50 10 KKGE C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)n(-c2ccccc2)c(=O)n14 575417511 XSFGYTJDZLOBDE-BRBIHXEKSA-N 645.961 7.413 50 10 KKGE in-vitro CC1(C)COc2c([C@H](Br)c3csc(I)c3)cc(Br)cc21 688185834 BHXJEIUBWKSZFV-CYBMUJFWSA-N 528.047 6.270 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1Br 691545049 YRZHBBVSGYFQRE-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 725404820 AFSGRKCVMYNOAF-UHFFFAOYSA-N 546.259 5.937 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1 1084049808 KGVNRJKEHGXZRJ-LPYMAVHISA-N 552.412 6.431 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12 1084057740 CDJJBVZEMSRTGW-UCQKPKSFSA-N 527.418 7.044 50 10 KKGE Cc1nc2ccccc2n1CC(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 1084096139 SPLRTLFPQNZKIR-UHFFFAOYSA-N 552.432 5.328 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1 1084271520 DCLRQDXOYYLFDM-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 1084274751 VBEZCAJIDDWUCL-VGOFMYFVSA-N 637.053 5.232 50 10 KKGE COc1cccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1 1084276382 IRAYOGGEPYSFIB-UHFFFAOYSA-N 548.064 5.816 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1084362571 QPZSLLGQDUXDBR-UHFFFAOYSA-N 659.882 8.193 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084408830 RTCZRWRAPXUFSA-JOCHJYFZSA-N 566.279 6.307 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C 1084422576 LVGMQEKLXKTHKE-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE COc1ccc(CC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 1084569942 DQWCJFQSTNLSNP-UHFFFAOYSA-N 517.807 5.392 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)cc1C 1084570976 WWJKCCYNBXYESA-UHFFFAOYSA-N 504.439 5.340 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1Cl 1084590167 QHFIUAGUSCOJFE-SSEXGKCCSA-N 543.092 6.286 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653468 FMKDDCDHMMVUGS-PHTSLXPNSA-N 550.511 6.914 50 10 KKGE CN(C)P1(=O)N(c2ccc(Cl)cc2Cl)P(=O)(N(C)C)N1c1ccc(Cl)cc1Cl 1615216824 KSWGSTMVRARJFJ-UHFFFAOYSA-N 502.106 6.966 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744565 WVKKPQKOSZEUIW-UHFFFAOYSA-N 530.806 5.735 50 10 KKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)cc1 1772744715 GXWDHABOOJXAKP-UHFFFAOYSA-N 505.578 7.035 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682738 WQYULPUFNZYUSX-AREMUKBSSA-N 525.052 6.776 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683818 IURZMCJDVBHDOZ-HSZRJFAPSA-N 532.959 5.332 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685526 JYHNGGXHAKNASD-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689961 XVKNNPAMOIRXRP-LJQANCHMSA-N 515.795 5.173 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865692728 OZYFZKPFQUIYCR-DEOSSOPVSA-N 555.448 5.937 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865697097 XAAJFFUGORULTR-QHCPKHFHSA-N 561.004 6.789 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698645 ZLMLZZAHERFJHY-QHCPKHFHSA-N 537.458 5.910 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700674 ATDOMVZUIKQHGZ-RUZDIDTESA-N 547.840 6.394 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865701600 ZEXPFNUYWTUKMI-HHHXNRCGSA-N 512.997 5.948 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866668880 NCEJRKGJEVNSKG-AREMUKBSSA-N 577.131 6.476 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)n1 1868278167 VERHHBDBLIHYLF-LJAQVGFWSA-N 507.619 6.237 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CCO2)cc1 1868433879 TURIWZMPWKNSPB-SANMLTNESA-N 528.081 7.254 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 1873920819 KPLUSXOHBBWQPR-PNHLSOANSA-N 521.598 5.916 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(Br)cc1Br 1922895617 XPGGFCPWGFUDPL-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@H]2OC 2080652609 KASDHRXLYQOAKZ-URGPHNADSA-N 810.466 5.719 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCOC1 2085496231 QIERURKQYOFTFQ-QTTZVWFDSA-N 526.288 6.443 50 10 KKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@H]21 2114391488 GNRKRJMZABAKGS-HETMPLHPSA-N 543.891 7.153 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2125297658 BVXZYOCPVPWXFB-XUVXKRRUSA-N 503.775 5.440 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121753 BRKHKTQBNVYYGE-KWQFWETISA-N 545.907 7.687 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCOCC2)c1Br 2135275120 AVIDNNCGHPXXAQ-KHQFGBGNSA-N 537.937 6.534 50 10 KKGE Fc1ccccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477184 MUNMGSVXOXSILU-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE O=S1(=O)CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396506 XRQFFBHQOISWEP-QTTZVWFDSA-N 574.354 5.841 50 10 KKGE Cc1ccccc1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398494 VRAFYFYLINTWGS-SNVBAGLBSA-N 590.773 7.724 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2Br)s1 2221820478 OZEVPFBGHUDRSZ-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1sc([C@@H](Br)c2scc(Br)c2Br)c(Br)c1C 2246412830 BWNIRBJLCOWAJM-VIFPVBQESA-N 523.935 7.198 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)sc1Br 2255990269 YYASCLXGVLIXJF-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE CS(=O)(=O)c1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2272865541 IDFHXLBOPZCWCK-QMMMGPOBSA-N 529.522 5.829 50 10 KKGE COc1c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)csc1Cl 2288354963 NDRQRGYHALLENB-QMMMGPOBSA-N 511.407 6.698 50 10 KKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3C)C2=O)cc1 2297368848 ZEQDHPQAFAFMTJ-XMMPIXPASA-N 504.011 5.722 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458640 OJTGEGNVYLBXBS-QFIPXVFZSA-N 583.851 6.076 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2ccc(Br)cc2I)s1 2301080419 DIZIOAHPDOUUCS-JTQLQIEISA-N 573.846 6.701 50 10 KKGE CCOC(O)=C(C#N)[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501770 ZGOAHPRMVIRWKL-XZOQPEGZSA-O 527.826 5.683 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521534 VBOZXKILKDGSJG-UHFFFAOYSA-N 513.775 7.053 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313545842 JPZZYRQEUKVYPM-UHFFFAOYSA-N 608.405 5.322 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2c(c1)OCO2 2313571211 PXYQDBDJZCSYQF-UHFFFAOYSA-N 531.779 6.509 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(I)cc2)cs1 2314487681 HMEDPMNJFGHOKS-UHFFFAOYSA-N 570.437 5.953 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CCCC2 2314572205 WBNJLGSGBQQTSX-UHFFFAOYSA-N 501.391 6.526 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592732 APSQMMHCTOPYDK-VWLOTQADSA-N 502.039 5.645 50 10 KKGE CCOc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617983 FCKDZWZRJLRTIG-OAQYLSRUSA-N 506.986 5.089 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 2314634418 QGZXVLSBGWATNM-QHCPKHFHSA-N 532.210 7.137 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634799 MLLJOHOUUSDGKZ-MGBGTMOVSA-N 552.671 7.190 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 2314640700 OORJBSNUKPMHHJ-JGCGQSQUSA-N 548.570 6.250 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 2314736075 RTCATNLNSZWQBG-UHFFFAOYSA-N 567.107 7.759 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2cc(OC)c(OC)c(OC)c2)n1 2331350806 VIGXBMVLCJOUDD-UHFFFAOYSA-N 506.624 6.648 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)sc1Br 2339682601 UKLMTJNOZKGRJG-SNVBAGLBSA-N 556.314 7.574 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361179483 WHAPDWGGOMTHQW-QUCCMNQESA-N 500.221 7.680 50 10 KKGE ClCc1cc(Br)c(OCc2cc(I)ccc2Cl)c(Br)c1 2380452974 NETXBURCJRRPLI-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Br)cc2)N(c2ccc(F)cc2)C1=O 1790127 UDISLMQFRACYLH-GPSDDGMOSA-N 536.426 5.962 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2888395 WLDPMPVKVZANKP-GMQRBVGNSA-N 536.245 5.201 50 10 KKGE N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 3669624 QBNTXCIQKANEDQ-NRFANRHFSA-N 510.446 6.413 50 10 KKGE CCOc1ccc(CC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1OCC 12492107 ZKSGDKXEJXFDIP-UHFFFAOYSA-N 517.626 5.038 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 13981623 YVJMVVXOYORTMU-UHFFFAOYSA-N 521.617 5.743 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822834 WUFPNGIDYKISRF-IWBSIUBASA-N 521.573 5.749 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccccc1C 40911547 KJZQVTRDXDWLKN-HNSNBQBZSA-N 516.682 6.826 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100189800 DHHGXUCPUDNNDG-UHFFFAOYSA-N 580.523 6.499 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1 100236037 MVMSVGLBHOZMSH-DOCWCXJCSA-N 604.339 6.462 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 101012053 SEFWJMSJSOOPCD-FSGOGVSDSA-N 552.055 7.110 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccccc3Cl)nc12 101115550 RJFVGYCDLJLNIO-QINSGFPZSA-N 525.779 6.301 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245117 CNZNJPJHRCXSMJ-CPUZRTFYSA-N 538.456 6.375 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101334179 FVZSRVYTJQRIPR-WTFDWONZSA-N 508.622 5.965 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Br)c1 101363479 OTWNBDLDBGJZES-HSZRJFAPSA-N 546.204 5.958 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101370536 MVNFLNJDYPBETG-RUZDIDTESA-N 535.394 5.684 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379162 IPEHUVFJRCGOGZ-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381265 OFTMVNFKPHVTMG-UUWRZZSWSA-N 607.493 8.092 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384734 BYZJCLLWMISWRJ-SDGCUXPXSA-N 599.470 7.418 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385036 HUXUHDKHHOMALN-HKBQPEDESA-N 601.486 7.799 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1F 101386531 ILCUSPHMROWQNT-SSEXGKCCSA-N 552.558 5.859 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101390216 PLDLLDRBMBGYTP-NRFANRHFSA-N 557.842 7.307 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 101398955 HIFCTQXUDXGEFD-LJAQVGFWSA-N 607.877 7.672 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc(Br)c1 103725500 AKOXAWIGFPCHNZ-RREIPUBJSA-N 521.478 6.959 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742924 PYJOODPQRLDIHC-BSSRNLCFSA-N 532.463 6.131 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 103877975 IDBNLFRIRWGUAD-NNLKUIAGSA-N 610.674 7.720 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccccc2I)c1 104040073 LYIXLLMKMBKWTC-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE COc1cccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 105566547 UFPOCPZABGNDCP-QQTULTPQSA-N 523.552 5.048 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 150424124 GIPSJMDZQTWOEA-KBKYJPHKSA-N 656.081 5.631 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN[C@@H](C(C)C)C1)c1cccs1 207967386 YZSFEMUTPFHCSO-KCWPFWIISA-N 526.102 5.618 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214323562 VXWOROZPCHLIJZ-VUMGZPTDSA-N 534.616 5.184 50 10 KKGE Fc1cc(Br)cc(COc2c(Br)cc(CBr)cc2Br)c1 236148880 IKIXCSGPEWNHBX-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(F)cc4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 254903300 UFQJHSFKKTWZMG-ZODNTCIQSA-N 652.748 6.175 50 10 KKGE COc1cc([C@@H](Br)c2sccc2I)c(OC)cc1Br 311449317 RQTFHNQMHHLMBA-GFCCVEGCSA-N 518.008 5.617 50 10 KKGE ClCc1nc2ccc(Br)cc2n1-c1cc(Br)ccc1I 381947075 ZHHBJXPLTFDSCN-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)cc(Br)c2)C1 382729531 SZSMNBFDTKRBGB-RISCZKNCSA-N 545.053 5.597 50 10 KKGE CCOC(=O)/C(C#N)=C1/C(=C\c2ccc(Br)cc2)/CC/C1=C\c1ccc(Br)cc1 575418828 FWWISIHVFKYMHI-PILOYOIISA-N 513.229 6.856 50 10 KKGE Brc1cc([C@H](Br)c2csc(I)c2)cc2c1OCCC2 709712460 MOYHGQYRHRVAGJ-ZDUSSCGKSA-N 514.020 5.925 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 1083939220 POSYBBFLBMQFLQ-UHFFFAOYSA-N 566.510 6.851 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1083956139 YGZJEZKWNBYMSK-LJAQVGFWSA-N 561.078 6.834 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2ccccc12 1084031467 YAMGUIDXADDAFU-UHFFFAOYSA-N 545.970 5.858 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cccc(Br)c1 1084070808 AKOXAWIGFPCHNZ-UHFFFAOYSA-N 521.478 6.959 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc4ccccc34)c2C)cc1 1084417601 UVQYVLWQXLCPNK-UHFFFAOYSA-N 522.652 7.777 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Br)cc1 1084454705 PODMWXRMIOTGFD-XQNSMLJCSA-N 580.910 6.336 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 1084529803 XGECACVNIYTLMP-XMMPIXPASA-N 563.851 6.183 50 10 KKGE CN1C2=C(C#N)C(C#N)(C#N)[C@@H](c3ccccc3)N2[C@H](c2ccccc2)n2c(/N=C/c3ccccc3)c(C#N)c(C#N)c21 1615949423 OSFOODOASZLNGG-GQKPXROXSA-N 555.605 5.804 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747462 IGJDJNSZSVQXGS-UHFFFAOYSA-N 560.441 8.033 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)cc(Br)c1OCc1ccccc1 1772754355 ZLNDOCPILHEYFX-UHFFFAOYSA-N 627.127 6.091 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1 1772755452 IBBINXFHGYURFB-UHFFFAOYSA-N 553.497 6.644 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865691184 LVBKCJLAPXDDLF-HSZRJFAPSA-N 537.458 5.662 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccccc1 1865692564 CJHRTZIQWFQNPB-JOCHJYFZSA-N 512.532 5.754 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697585 XHLMIMWRLRTUES-SSEXGKCCSA-N 558.638 6.715 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702123 NFVAEFWWRJFCSL-QHCPKHFHSA-N 531.385 5.727 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711725 GSXJRLIQVPBWOQ-XIFFEERXSA-N 568.677 6.870 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C(C)C)n1 1868231791 RZXTYWVXPCTJIB-LJAQVGFWSA-N 507.663 7.077 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3c3cccc(Cl)c3)n2)cc1 1868321134 WILOUCLIHOXHGT-YTTGMZPUSA-N 560.126 8.574 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)C2 1868342106 KQDNEWKWHZNTFD-UHFFFAOYSA-N 543.737 7.330 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C(C)C)c(OC)cc4C)cs3)cc2C1=O 1872753551 COQDAPQEYLCVDB-PIHGLKBESA-N 515.635 6.595 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872791104 VXVIUPQJNNDSRX-HZHRSRAPSA-N 503.668 6.527 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922897435 NKTILRBSCVQPNK-LLVKDONJSA-N 517.906 7.137 50 10 KKGE CCOc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924597156 YHQHLLJULLAFER-SNVBAGLBSA-N 533.905 6.919 50 10 KKGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2002553415 ZATPWRYPSNUXBI-LURJTMIESA-N 531.911 5.049 50 10 KKGE CC1(C)C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782430 MWXXCODAKXIXJP-BLTYZCFWSA-N 510.289 7.063 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2077242726 MLXVKUWOGPZMGU-SFHVURJKSA-N 502.220 5.961 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2113158222 CIRAHOWRDMDSJI-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE FC(F)(C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Cl 2128818998 WMXNBWMEPLBHQL-SECBINFHSA-N 501.456 7.578 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1c(Br)c(Br)cc(Br)c1Br 2141476816 HKCDVJZGHUGSGU-SNVBAGLBSA-N 682.089 8.651 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2169668717 SYXOGUVAGWBBMI-SECBINFHSA-N 543.943 6.757 50 10 KKGE Oc1nc2cc([C@@H](Br)c3cc(Br)c(Cl)s3)c(Br)cc2[nH]1 2172568294 BCOOLWQDOAPMMI-SNVBAGLBSA-N 501.425 5.993 50 10 KKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399007 BFTWGCJJMUGIOM-RWYTXXIDSA-N 598.793 7.235 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCCOCC2)c1Br 2206400802 SKAFWBASUHCXDG-RKDXNWHRSA-N 598.793 7.379 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Br)cc1I 2218804619 CFLPKQVXSLXCNT-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE Fc1ccccc1[C@H](Br)Cc1sc(Br)c(Br)c1Br 2222472062 NNVWFQDYFSOKOV-SSDOTTSWSA-N 521.869 6.853 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2233013029 FRABJABITZISTN-ZDUSSCGKSA-N 550.481 6.742 50 10 KKGE Clc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 2248096010 KAOPWJNCNMOROJ-JTQLQIEISA-N 524.297 7.173 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198479 YPGNSALMTXCFIU-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Br 2299534733 HDQZMCPEZLTRGY-SFHVURJKSA-N 531.107 7.645 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1 2313518220 VLUAYSGLNGHPIU-UHFFFAOYSA-N 631.308 7.194 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1 2313568421 SBIOHJUMBHHCBM-UHFFFAOYSA-N 555.210 5.027 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(I)c1 2313570670 COJXSYYEHOAGHM-UHFFFAOYSA-N 536.200 6.551 50 10 KKGE COc1ccccc1C(=O)c1cc2c3c(c1)C(=C(C#N)c1nc4ccccc4[nH]1)C(=O)N3C(C)(C)C=C2C 2313670829 YZWGGMBLNOEBAI-UHFFFAOYSA-N 500.558 5.779 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccccc3Cl)nc12 2314531949 FYUQQZCBDVQVLK-UHFFFAOYSA-N 535.785 5.757 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Br 2314618013 FWKDDJSUBLDXEB-NRFANRHFSA-N 593.481 6.664 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 2314620994 YBQCYJSUDQGGKH-UHFFFAOYSA-N 552.631 5.182 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OC(C)C 2314646550 BLOMOMISAILZGM-GDLZYMKVSA-N 632.742 5.552 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)c(Cl)c1 2328821216 HKYGBNUYLVAJRZ-RDPSFJRHSA-N 510.119 6.859 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329662106 JTFDDVMJAIULPT-UHFFFAOYSA-N 534.410 6.044 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c2ccccc2)cc1 2331311704 PMZJSBHJOUVKFU-UHFFFAOYSA-N 505.426 8.159 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331362741 JXPPZWKNGRIMSR-QFIPXVFZSA-N 519.648 5.646 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 2331432116 QZDDJJAPXJDQKY-UHFFFAOYSA-N 520.246 6.807 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2336039984 BPDHATCGAIHOOI-NRFANRHFSA-N 541.077 7.284 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccccc2I)c1Br 2337114088 NDCRGFZVLOXGGR-LLVKDONJSA-N 583.258 7.093 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 2340798811 OAWZEXQSJMCHMA-VIFPVBQESA-N 532.281 7.810 50 10 KKGE Cc1ccc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362251802 PHCFONCBTCVOMR-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362256688 ZUDFQLYMZXVBMF-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nn(C)c(Cl)c1Cl 2365221724 WTNSUZYNJNAKGI-MRVPVSSYSA-N 509.826 6.184 50 10 KKGE C[C@@H](Br)CN(CCC(C)(C)C)Cc1ccc(I)c(Br)c1 2377351922 GNICQHYQHSAGFY-GFCCVEGCSA-N 517.087 6.075 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 38651663 OFTBGTXFGRHVAT-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 38688719 AOMZQSHQDFUDHR-AREMUKBSSA-N 514.509 5.725 50 10 KKGE Cc1cccc2sc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])nc12 40650425 NVKBBWSVFAELPL-UHFFFAOYSA-N 511.567 5.322 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813526 RKHLFXYTAHSUQY-DFKUXCBWSA-N 506.389 6.771 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 59303808 FPQZMHPJTLWYFV-KEIPNQJHSA-N 503.577 6.935 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 59485108 GAMFRSWCHSISPJ-YBFXNURJSA-N 511.803 6.544 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212909 KVUNWUYKUJBLJQ-LJQANCHMSA-N 584.536 5.299 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 100335657 ABVGNESUJNMGDS-GIJQJNRQSA-N 593.248 7.040 50 10 KKGE CCOc1cc(/C=N\NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869697 KHNHWKBWEWGVJD-MNBJERMJSA-N 528.561 5.004 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101335867 VIOFWEPMVAUBRR-TURZUDJPSA-N 516.601 5.711 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101339695 VDMCLHLALHGTRJ-QDCCHXAWSA-N 570.605 5.384 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101367872 NHDVGROBNPFBHC-QFIPXVFZSA-N 590.501 5.772 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101368099 DTSHDNHNYZQXIF-YTTGMZPUSA-N 570.686 6.764 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1c(Cl)cccc1Cl 101371016 LSYYTOJEIJHVJA-MRXNPFEDSA-N 557.258 5.891 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374099 OFOKQCDDPYNDSW-ROTAYESASA-N 556.659 6.418 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381840 GGEWJRDHJRTBKQ-PVAZPRTOSA-N 560.650 6.980 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384877 SZXGSRRITCUEMM-YTTGMZPUSA-N 593.466 8.163 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101396967 GSUWUVSIGAAEOG-GDLZYMKVSA-N 595.523 8.179 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 102665781 JFBCYRLSCMHAGK-BOJFNEGLSA-N 528.848 6.712 50 10 KKGE N#CC(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)=C1Nc2ccccc2N1 103094908 KWVFIVZTUZKZRM-PFONDFGASA-N 555.550 5.044 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCCCCCCCC)cc2)cc1 103726807 GASAOMINKVYJOA-MUGXBBEHSA-N 508.747 8.709 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 103746595 MGHSURFIBTWGQV-HMAPJEAMSA-N 547.405 5.318 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)ccc2o1 103796502 WUWKSBWWAPXSMX-XAZZYMPDSA-N 612.705 8.107 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 103880515 GBUDJJOUDNQUCU-AMVVHIIESA-N 612.274 6.727 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)c(C(C)C)cc1Br 104803603 WQMZREOPMKZLNR-UHFFFAOYSA-N 554.919 5.464 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 105160076 VEPRJCMPPKDEJH-UYRXBGFRSA-N 556.254 6.735 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 150431036 UWHCGYMGEFRVBR-ABZYITTCSA-N 684.312 5.837 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150443332 USGONKRNKDMIQG-LJAQVGFWSA-N 695.983 9.416 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)cc1 150455177 KNQBPFZLOTYQTP-MJAIOHPMSA-N 660.752 5.096 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCCC(C)C 150455566 HRXARMDYKHPNKA-QHCPKHFHSA-N 686.803 8.590 50 10 KKGE Br[C@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155257299 GNMDKWFGWIAFFP-QWHCGFSZSA-N 672.908 6.366 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 164012106 YGSUNHPGAWBLMR-XAZZYMPDSA-N 642.606 5.968 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 164701819 YSBJJNYEPGVDAT-CIAFOILYSA-N 719.317 5.459 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 195811325 DPQSOLLSNCYGEP-SANMLTNESA-N 502.929 8.863 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205661158 HYKXIJICROZPPY-XQWSSPBJSA-N 522.645 7.181 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205661368 ARTRXUFHXIZMJK-YFSRTRINSA-N 538.644 6.881 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214370811 YPRYZYXGCMORCX-BRPDVVIDSA-N 604.732 6.503 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214385999 VDMCLHLALHGTRJ-UXLQVQPCSA-N 570.605 5.384 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 239174479 QCDAPCLAWUINIF-QPMCIGMLSA-N 527.513 6.250 50 10 KKGE CC(/C=C/c1ccccc1)=NNC(=O)COc1c(Br)cc(Br)cc1Br 252603438 FRDZBURSCHXTIR-ODJWNVSJSA-N 531.042 5.558 50 10 KKGE CCC(CC)C(=O)Nc1cccc(C(C)=NNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1 252632618 VVGOPQURLOXJEU-UHFFFAOYSA-N 501.414 6.486 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 253578888 YXGZNSMGRZNMBU-UUFNBZTESA-N 701.945 8.088 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1cc(-c2ccccc2O)nc2ccccc12 254294078 RAEQBOSDBSKKEY-UHFFFAOYSA-N 558.041 6.937 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254799127 AMOORZYHLJZTFQ-UHFFFAOYSA-N 610.648 6.023 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 254865837 VTVKHGGODJBXOM-UHFFFAOYSA-N 594.412 7.615 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 503944070 OPYUSJFJMUNXDI-XRYQYQIOSA-N 978.338 7.930 50 10 KKGE COC(=O)[C@]1(COCc2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654246 NVRSKODTJANKRR-RBJSKKJNSA-N 513.707 5.548 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 725384496 CABFBUCGNGDASA-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F 1083861187 ROKIOGHFCOZWHQ-UHFFFAOYSA-N 534.538 5.781 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CSc3nnnn3-c3ccc(Cl)cc3)cc2Br)cc1 1084049153 JMIZGNOTFLMDPM-UHFFFAOYSA-N 650.784 5.971 50 10 KKGE CCCCCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 1084254955 OFOCYIQALOILPV-UHFFFAOYSA-N 532.276 6.844 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccc(O)c1 1084360353 HSVXMPXBTYDVNA-UHFFFAOYSA-N 536.429 7.043 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084361168 OBVBNJPRECQZHC-UHFFFAOYSA-N 554.594 5.459 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084391684 JJNDEFSCNGBONF-OVCLIPMQSA-N 618.085 8.029 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746931 BLVQPAZGXHWXJJ-UHFFFAOYSA-N 598.270 5.512 50 10 KKGE COc1cc(/C=C/C(=O)O[C@H]2[C@H]3C[C@@](OC(=O)/C=C/c4ccc(OC(C)=O)c(OC)c4)(C[C@H]2O[Si](C)(C)C(C)(C)C)C(=O)O3)ccc1OC(C)=O 1848437767 VNWHNFAZGAXEBM-RBNWSOQTSA-N 724.832 5.584 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684621 UGNUSBHSEGGRNK-QHCPKHFHSA-N 531.385 5.727 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCCc1ccccc1 1865687908 CXURVYQFNVNLGM-HHHXNRCGSA-N 574.603 6.415 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCCc1ccccc1 1865688020 GRQTUVJRSBTXPE-PMERELPUSA-N 540.623 6.388 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCCc1ccccc1 1865688352 PZEIFURIRFUWIN-RUZDIDTESA-N 546.549 5.798 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865704707 CFFDMNSTBNICNF-VWLOTQADSA-N 512.953 5.280 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709019 LLIOVAOXTQQCTP-QGZVFWFLSA-N 523.298 5.262 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712402 XMYCUOKDQQTWAS-JOCHJYFZSA-N 567.365 6.451 50 10 KKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865759299 SIYSXMBJSMVBPI-QHCPKHFHSA-N 504.417 6.151 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866746366 OOHGLHZLBXAVRQ-XZWHSSHBSA-N 559.801 7.570 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2)cc1 1867044763 FULAZAKTRBOUPS-UFHPHHKVSA-N 569.712 5.809 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867130813 XIYNSOFYOGEZCX-YTMVLYRLSA-N 586.113 6.516 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4cccc(Cl)c4)CC3)nc(Cc3ccccc3)n2)cc1 1868207165 IKHWWGQTGKEIPB-UHFFFAOYSA-N 541.124 6.402 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)n1 1868389498 WLKIVYNOTMEXKO-PMERELPUSA-N 521.646 6.627 50 10 KKGE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433581 NZZCBNBOIUIDAY-UHFFFAOYSA-N 500.071 7.528 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 1872748032 DVSFTXMPJYTWFR-JPZPWVHPSA-N 501.007 7.557 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1cccc(Cl)c1 1873792805 NCOBYWRNGGQPPU-YJGSSNSBSA-N 504.027 5.317 50 10 KKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940989 QSANKVPJAGYGBV-LNVKXUELSA-N 516.466 8.465 50 10 KKGE CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(Cc1ccccc1)Cc1ccccc1 1923403615 MQUXRMIVOYZDOI-JGCGQSQUSA-N 565.739 6.380 50 10 KKGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579344 DEUBMQGSQIAJHP-NQXXGFSBSA-N 505.842 6.763 50 10 KKGE COC1(C[C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924583558 LSTUCDFMGXHWEP-ZCFIWIBFSA-N 511.899 6.431 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1F 1924596934 VTLANZDVJGADOV-SECBINFHSA-N 537.868 6.668 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 1939529743 VYIYDYOSNVVCSJ-ZDUSSCGKSA-N 602.005 8.160 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@@H](O)CCl)c1I 1951626446 WDDHPEUYZAQXRL-QMMMGPOBSA-N 649.432 5.120 50 10 KKGE CC[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780301 QMLOOILRNQDJTJ-ZWBHMBAVSA-N 510.289 7.063 50 10 KKGE CC(C)(F)[C@@](C)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471790 WBXUWVXVMMFWTA-PWSUYJOCSA-N 548.285 7.493 50 10 KKGE CCOc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(Br)c1 2150494733 SSVKZYVOTMXFNM-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CC2(CCCCC2)CO1 2166259611 CQXNSDAFEGEYTL-PSASIEDQSA-N 507.513 7.102 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2206393708 ANHLDGWVCJKUQV-NSHDSACASA-N 706.605 7.965 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1F 2206397148 FTZBIULWLAHCRM-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE FC(F)C1CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206403236 YCEGHCADYAPRCG-KPGICGJXSA-N 604.747 7.854 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2Br)c1C 2218789154 GIVNRHODRAGQHQ-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1I 2235615636 TYFDRALZUUTJPQ-INIZCTEOSA-N 572.904 7.226 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(I)ccc1Br 2288344145 GQFOOLAFRCXKNA-NSHDSACASA-N 645.699 7.341 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1 2293701498 MWDWNRGLFYAGDB-UHFFFAOYSA-N 533.013 5.712 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1 2295163759 FWITUAQSWNJUJT-UHFFFAOYSA-N 515.766 6.375 50 10 KKGE COCc1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295275473 VJRRWXCAPQMTOQ-GFCCVEGCSA-N 547.932 6.861 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(OC)c1 2295353427 ZHVBEAGOLSRYTP-UHFFFAOYSA-N 524.577 5.178 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2297488314 AOAJCOWTUAOFQD-UHFFFAOYSA-N 518.495 6.121 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1 2313519055 ZBRFIXFZUGFVJM-UHFFFAOYSA-N 576.672 6.998 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521391 KTRAGWKRTLYOIE-UHFFFAOYSA-N 524.327 6.307 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593784 SSFCWROUKKPNGX-RUZDIDTESA-N 552.483 6.135 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Br)cc1 2314634108 MOFRSSXZNJBYPS-XMMPIXPASA-N 507.771 5.939 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5Cl)ccc43)c2)cc1 2314640737 UNNNTXPYXHERME-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643216 IVKOLQMEIZSJKC-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328835277 COFBQQMLUFLFGS-UHFFFAOYSA-N 507.606 6.093 50 10 KKGE CC(=Cc1ccccc1Cl)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330481386 ZPRAMQRZSHIJPM-VWLOTQADSA-N 522.095 6.373 50 10 KKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331251054 IMCUIZTWQJLOGF-UHFFFAOYSA-N 518.381 6.867 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331351676 OBZXDVWSRQBTOX-UHFFFAOYSA-N 500.486 5.229 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 2331358781 OHRQJMBCVZGJGG-GOSISDBHSA-N 521.598 6.947 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OC 2331461174 SBFCUOCQNVNLCU-UHFFFAOYSA-N 504.696 8.148 50 10 KKGE C[C@@H](CBr)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349849051 ZLKMKHPPGNITDX-XHDPSFHLSA-N 501.044 5.439 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)cc1Cl 2351640898 GHLJLUIWKGYQPX-QMMMGPOBSA-N 576.732 7.966 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2c(Cl)cccc2Br)c1Br 2362229928 WJEWYHTVDBQNNI-LLVKDONJSA-N 570.703 7.904 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362235153 KPBVTOSNWHVOFL-CDUCUWFYSA-N 505.369 7.419 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 29491653 HUGXOLVCNRYSIT-LHLOQNFPSA-N 595.725 5.904 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1cccc3ccccc13)c1nc3cc(Cl)c(Cl)cc3nc12 33366398 AVMRMMLJAJESOU-IZLXSDGUSA-N 519.432 5.880 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 38604348 HLPAQTQZDSFJPU-CVKSISIWSA-N 508.622 5.883 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38607563 WURZCOQEPDABHM-YZSQISJMSA-N 510.565 5.638 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)cc2)cc1 38650819 MRSQWSYXERXLLI-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40659402 FYPIBKHKLJQPOO-UHFFFAOYSA-N 508.563 5.359 50 10 KKGE COc1ccc(OC)c([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2Cl)C(=O)CCl)c1 97914773 ZNYPNPSPHUYJHB-CYBGMGPVSA-N 521.485 5.403 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)N1c2ccccc2Sc2ccccc21 100104922 PMSUDPSEXJMRKG-UHFFFAOYSA-N 520.408 6.025 50 10 KKGE O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1)c1ccccc1OCc1ccccc1 100143940 KTGOBZZMOOZWOA-DNJOOXRZSA-N 582.660 6.372 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 100328612 SXYPENYVBHIHPA-XODNFHPESA-N 531.834 5.836 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 101034287 BNVACXCJZHSYHO-XDHOZWIPSA-N 561.417 6.562 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101295759 JINZMUMEEZINLI-RUZDIDTESA-N 537.399 6.394 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 101338820 HJBJJKKVERMCTE-BUVRLJJBSA-N 527.024 6.126 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1 101340320 YQPYHBNZAPCKSE-YZSQISJMSA-N 508.574 5.118 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101340925 PXJGUOBPUYSOFK-FSJBWODESA-N 581.883 7.417 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 101377021 HFQOOCQJFBRQLA-NDEPHWFRSA-N 544.604 5.719 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388391 NDXWOGYTPVGOTG-HKBQPEDESA-N 567.041 7.064 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101394896 MDWHUMSOOSDRGL-OAQYLSRUSA-N 539.465 7.367 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603471 UDBMKPKWPJQXGE-FEZSWGLMSA-N 547.442 6.848 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613848 FMOBUJKPTQPVBC-KVQDIILNSA-N 594.465 7.255 50 10 KKGE O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101647244 VICAWSXBEDNLHO-SLMZUGIISA-N 533.209 5.202 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 102685587 JCJDJFGFPSSNLX-MOSHPQCFSA-N 526.401 5.749 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl 102851823 MRQDQRUQORBADM-MOSHPQCFSA-N 570.852 5.858 50 10 KKGE C/C(=N/OCC(=O)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1 102941379 YDARTFKXMBTQFM-DSLSPZTDSA-N 624.539 5.717 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1cccc(Cl)c1 103563300 MFIGVHOKCRHBRS-ALQBTCKLSA-N 620.931 7.025 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc2scc(-c3ccccc3)c2c1=O 103701802 GFNGFKXAZRDOLN-ATZGPIRCSA-N 601.153 6.786 50 10 KKGE Cc1ccc(NC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 103870814 JXPAMMGDTUJMII-KCSSXMTESA-N 539.705 7.059 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 103876662 ROXIMWLEQMIOLU-WVKHYPTHSA-N 624.568 8.840 50 10 KKGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150411964 FQLANBHGKZQXRQ-UHFFFAOYSA-N 660.182 5.241 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 150497260 WJKUOBKAXNISSH-UZWMFBFFSA-N 651.119 5.944 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214420041 KCADXCZPTRTIND-VEILYXNESA-N 552.631 5.120 50 10 KKGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)cc1COc1ccc(F)cc1 254316655 FEPVRPKMJGLMDC-JYFHCDHNSA-N 635.540 6.808 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254344032 RLVZJXWXNXZZOT-UHFFFAOYSA-N 580.810 9.025 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 254404695 WAEBNRVACLWQQM-UHFFFAOYSA-N 531.701 6.035 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OCc1ccccc1 254591751 BOURVSVQLUNOKL-UHFFFAOYSA-N 586.764 6.814 50 10 KKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(Br)c(I)c1 380481430 WNVIISHEHZKUTR-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@](C)=O 575232323 MEIKKMCUTRNHMT-UQTYSGLGSA-N 679.405 5.437 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584197 AQLURWHBCUUICR-MOBGZPQSSA-N 710.852 7.267 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000421 PRCMMETVWMEYKS-PQYQQELUSA-N 649.070 6.282 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2ccccc2o1 1083940068 YLDSLMDVJIEGGW-UHFFFAOYSA-N 607.096 7.063 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)cc1 1083998344 QAGWAYXGVVTCKW-AREMUKBSSA-N 569.496 6.098 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)cc1C 1084041855 JNINPLIJOMBTPT-SFHVURJKSA-N 518.908 6.758 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)cc1 1084072833 XQAKZUMPQARDMS-RUZDIDTESA-N 559.888 6.353 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)cc1 1084357427 BRRQCSBNOUFQJA-KRWDZBQOSA-N 504.881 6.449 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)c2C)cc1 1084429402 DFAYWGXYHYWXJH-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084481255 GMRVIUKCLSYFPC-OVCLIPMQSA-N 571.085 8.187 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1 1084592792 MCMJWGFEFLRZQA-UHFFFAOYSA-N 510.830 5.377 50 10 KKGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)cc1 1084611860 KCQIFNFSXPCZDX-GHRDSHBFSA-N 520.383 5.180 50 10 KKGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084640427 PQNWUQMBVOVAKE-SDXKGTORSA-N 502.083 7.188 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2cccc3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 1565518852 JSFTYSSIXFLNAW-UHFFFAOYSA-N 514.603 5.758 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc(C)c3)CCC4)ccc21 1772745122 SOVUYCMICONXPH-UHFFFAOYSA-N 518.617 6.747 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCc1ccc(C)cc1 1865688661 YBSFJWBTPHNGCA-NDEPHWFRSA-N 536.632 6.083 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865690626 XNMWTPOOGIWXBH-HHHXNRCGSA-N 506.606 6.335 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865690995 GVRVGROXBDHOGN-XMMPIXPASA-N 571.903 6.783 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697669 YYUUHBWETNANCT-NDEPHWFRSA-N 541.051 6.326 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cc(Br)cc(Br)c1O 1865701173 OGKFJGGCJOLRCP-CQSZACIVSA-N 556.136 5.340 50 10 KKGE CCc1nn(CC)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705230 PAQAFASIMPCELA-NRFANRHFSA-N 513.381 5.218 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865709657 ZGUMZQOXNQSYNC-NDEPHWFRSA-N 578.113 5.401 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865711295 UZTMWRJUMSMGMB-VWLOTQADSA-N 528.996 5.496 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712157 QXCSRCTVMRUSEW-WJOKGBTCSA-N 570.649 6.472 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712555 BJUIQXGFHYHFCB-SANMLTNESA-N 515.529 5.827 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C[C@H]1C 1868320592 LLYJJVGHOGCSPU-FGZHOGPDSA-N 502.688 5.704 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1C 1868320834 PEKZTXWPSPVETK-SANMLTNESA-N 535.673 6.938 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868414427 MGAZXDDIEPBYTA-RUZDIDTESA-N 557.054 6.199 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C 1868433707 QCTPXUZTCUODLL-KDURUIRLSA-N 509.079 5.659 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Cc4ccc(C(C)(C)C)cc4)CC3)n2)c1 1868505864 LXIJQKAWMNWNNL-UHFFFAOYSA-N 563.771 8.226 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)n2)c1 1868505896 MZJFAXBNEZEYSI-UHFFFAOYSA-N 551.632 5.642 50 10 KKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1868544809 KYVXKFWJYIWETF-QFIPXVFZSA-N 554.789 7.703 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OC)cc1Cl 1872756474 LNNDTQNFKPFKTA-GRSHGNNSSA-N 502.206 7.391 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c(OC)c1 1872793793 SVTXJWUXVZPNKR-XQNSMLJCSA-N 504.611 7.624 50 10 KKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)Cc1ccccc1 1882228117 IYGAWJIXHGQPIR-UHFFFAOYSA-N 509.263 5.735 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]2Br)c1Br 1898077514 APUUVODNONCOPG-PDJPSNROSA-N 605.582 6.956 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915312303 XMICFZWNGHENRZ-IBGZPJMESA-N 504.104 6.633 50 10 KKGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1991457914 NYSQKNZXRPSGHK-PLGVSFSBSA-N 513.476 5.572 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(Cl)ccc2Br)C1 1993165440 GMFMTEUIJCDLNQ-ZIAGYGMSSA-N 516.601 5.042 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(I)sn2)s1 2007648617 XPWABUUEYZAIHV-SECBINFHSA-N 509.026 5.202 50 10 KKGE Cl[C@H](c1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2085495254 JKOXROFGOVXSNU-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE FC(F)(C1CCOCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 2128896647 VDDHRUHKAQXUKP-MRVPVSSYSA-N 503.428 6.377 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2141471076 NQQYMXQJKVWIIO-LBPRGKRZSA-N 554.323 7.135 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Br 2141476947 JFFKFNHQULPLCU-NSHDSACASA-N 617.220 8.197 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)Cc1ccccc1I 2143868700 QSQGCMOIUDGKCH-LLVKDONJSA-N 513.970 5.880 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1Br)C1CCOCC1 2148759477 GSMNCPPBABQOGP-UHFFFAOYSA-N 533.924 5.957 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cc3cscc3s2)c1Br 2206397111 FEKLVXDRFCAAHY-ZDUSSCGKSA-N 624.837 8.497 50 10 KKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2207261904 OINKZCWGPKVTRP-WCQYABFASA-N 515.027 5.078 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2224323655 SOLVQNJSXOVILJ-QMMMGPOBSA-N 504.285 8.262 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(I)cc2)c(F)c1Br 2227804134 CXTWBEMAELINNF-NSHDSACASA-N 505.897 5.955 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(C)cc(C)c(Br)c2C)c1 2241001446 OYFSVYMCXXJJMO-KRWDZBQOSA-N 508.035 6.772 50 10 KKGE O=C(c1c(F)cccc1I)N(Cc1ccccc1)C1(CBr)CCC1 2247968957 YMFIPYBJLJHGGI-UHFFFAOYSA-N 502.165 5.390 50 10 KKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)cc1Br 2267749577 NKERRBUHFJFNFY-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1 2283579989 KRXSVZOMWJLJFZ-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cnn(C)c1I 2295264232 CJXDOZQRHYQVNM-NSHDSACASA-N 534.417 5.242 50 10 KKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2295292219 PFMKIPDKLUTUFS-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1 2295459686 NPZLPNXZZZYJSC-UHFFFAOYSA-N 506.514 5.400 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 2295937315 UDYUXTXEYSROCE-UHFFFAOYSA-N 550.011 6.836 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccco1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645835 IJGGYKIUJAVCQI-UHFFFAOYSA-N 564.417 5.244 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CCCCC1 2296706750 OCFCMSDYSCFAON-UHFFFAOYSA-N 537.063 7.128 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Cl)cc1 2297491169 LYXWZUNUCQBXJC-UHFFFAOYSA-N 535.349 7.536 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642540 NMSPCYRUGUNCPZ-JNPIVKEOSA-N 720.661 5.130 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1 2313553266 ZXLWWGHGMUEDAW-UHFFFAOYSA-N 585.252 6.861 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(I)cc1 2313568620 VFEVWPGNVAGCOP-UHFFFAOYSA-N 617.281 6.886 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313568902 YPXFLUDQIXUKIY-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570697 DFZBXSXFLZGSRM-UHFFFAOYSA-N 593.204 6.451 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 2313571561 ZCCCDFOUDYMZQY-UHFFFAOYSA-N 546.204 6.609 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCCC(C)C 2314432707 DNGCMVAOZQGSOS-UHFFFAOYSA-N 515.617 6.986 50 10 KKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 2314532524 KCWBXOBIAPKWEZ-UHFFFAOYSA-N 508.578 5.647 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591879 GSFQKSUIHIPLGI-VWLOTQADSA-N 517.582 5.298 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 2314617034 PLQQNUAKLOJQCK-UHFFFAOYSA-N 524.596 6.002 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 2314736540 NJEDMQLLXJBCNZ-UHFFFAOYSA-N 527.573 5.680 50 10 KKGE C=CCn1c(SCC(=O)NN=CC=Cc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320482178 GWOLPNYPNGWKAV-UHFFFAOYSA-N 500.649 5.527 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328821253 UDVKKFSORXOEMU-SIBVEZHUSA-N 507.606 5.947 50 10 KKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358264749 WQQRLGJRSVACDQ-PENBWZAVSA-N 602.731 7.464 50 10 KKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362253808 KFDXXBXZSRKQMB-LLVKDONJSA-N 509.797 7.281 50 10 KKGE C=CCc1ccc(OCC(=O)N/N=C/c2cccc(OCc3cccc(Br)c3)c2)c(OC)c1 20228589 KIYBEIACTGSFPU-LQKURTRISA-N 509.400 5.294 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 35148192 XMYFZYHLEJJLAP-ZCAAKECNSA-N 506.386 5.532 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649784 SNKSPEMDUDBKQP-LJAQVGFWSA-N 510.634 6.990 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 38681147 JSGFCLPTIPZZNJ-LJAQVGFWSA-N 526.589 5.876 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)CC1 38700522 VUOQZIBZRKCZBT-KRFIBBNCSA-N 509.444 6.569 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cl 39858751 IFLDNAGSRQXQGB-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(Cc4ccccc4Cl)C(=O)C(C#N)=C3C)o2)cc1 40514765 TXWSJHHAJDMMDP-HYARGMPZSA-N 500.938 5.569 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 40867224 WNDKNXAGRJKEQK-NLAJEHQSSA-N 507.583 5.752 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 58895125 UTRQYGGQKLLHLK-LJAKKAIASA-N 517.582 5.265 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 59679872 UNPFQOIXYILFSC-KEIPNQJHSA-N 507.678 7.517 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 101013398 ZAOSSMUXDGLQMV-CLCOLTQESA-N 567.671 5.268 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243801 BYTJSUQTVHXEEL-IIXITYHRSA-N 511.647 5.697 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246764 HTRKXZCJHUVBTK-WQNJBNFLSA-N 568.482 6.466 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101336450 IDUBWDJRSCPCGE-LQKURTRISA-N 543.627 5.822 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101368384 JSBOXZCIZCBNAN-YTTGMZPUSA-N 570.686 6.620 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1c(Cl)cccc1Cl 101370850 ZYLIXUCHKZYBPA-HXUWFJFHSA-N 516.178 6.193 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101372799 ZVLBCMCNMNMPAY-SFHVURJKSA-N 534.462 5.307 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1 101377751 IDOTXNORMKQSNI-MIUBRUMWSA-N 543.063 7.526 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Br)cc5)ccc43)c2)cc1 101381944 WTYWFDASDPWTDR-LJAQVGFWSA-N 567.439 6.774 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387937 XDBAKLXEDUBPDM-PGUFJCEWSA-N 590.676 6.738 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)oc2ccc(Br)cc12 101392409 FLRUOYXEPDQMLN-HHHXNRCGSA-N 551.396 7.094 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)sc2c1 101398339 OPEQXVQSCYGTLZ-GDLZYMKVSA-N 613.522 8.533 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399519 XVRMOPHOBWENDV-JGCGQSQUSA-N 590.607 7.214 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599280 MXRYUMGLXJLDMG-FQRZLYOMSA-N 538.417 5.942 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 101751353 IUAWSBXILJOSGN-LTGZKZEYSA-N 565.464 6.328 50 10 KKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 102665382 ZHTCIXWHLMNKHK-PGMHBOJBSA-N 523.054 7.360 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 102666152 VLXGCKUZSRIJRG-GUNDDFSMSA-N 532.021 5.582 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 103742324 NUUABPCWMGXSBV-CTHAODRQSA-N 542.875 7.020 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N 103877553 SHPPYFKIRVCJAU-FDALDRLYSA-N 575.068 7.329 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc2ccccc12 103881097 BUBPYONATBKFJD-ATZGPIRCSA-N 618.325 8.182 50 10 KKGE O=C(N/C(=C/c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 108879389 HQMCXAJESHPYRA-MKCFTUBBSA-O 519.004 7.063 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)s1 161108199 ATHXXEBNQYBTRP-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 196520366 GEYKFJRDKMXPMQ-BFGQKJOBSA-N 702.964 7.691 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@H]1OC(=O)CCC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 201290199 OGJHIJRQMFHSCP-QBTYEIDJSA-N 785.163 13.456 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OC 206236082 HQKIVHYSTOZFBO-UZWFIJHESA-N 507.583 5.752 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1OC 206541569 DQLUPZMQKMLMEP-LWUPDDLQSA-N 574.630 5.182 50 10 KKGE N#C/C(=C/Nc1ccccc1Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505409 ZHEOCWDWDDLSRC-ATJXCDBQSA-N 501.428 5.202 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1c[nH]c2ccccc12 252638882 YGOOLWXWURIIAW-OAQYLSRUSA-N 545.672 6.145 50 10 KKGE O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 254304898 DMOGFVVJPXXNBE-UHFFFAOYSA-N 539.366 7.165 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 254400766 VOAINIHVEXCRSP-UHFFFAOYSA-N 541.677 5.569 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)[nH]n2)cc1 254873754 HMQOPSDPLAXFAP-UHFFFAOYSA-N 508.619 5.606 50 10 KKGE CCC1(CC)[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 311432337 RNZTZRCYAXXLTI-VXGBXAGGSA-N 524.995 6.114 50 10 KKGE CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 504208026 IEJKMUZABMNWPG-YKZOVCIRSA-N 528.059 9.048 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 575449082 QIYOHWZXNNZRCM-YNOSRJHOSA-N 612.839 5.466 50 10 KKGE CCC(CC)(c1ccc(OC(=O)N(CCCl)CCCl)cc1)c1ccc(OC(=O)N(CCCl)CCCl)cc1 585669780 LKBDECNVUYILAQ-UHFFFAOYSA-N 592.391 7.350 50 10 KKGE CC1(C)COc2c([C@@H](Br)c3sccc3I)cc(Br)cc21 688196744 PTUUGYSGNTVRPJ-GFCCVEGCSA-N 528.047 6.270 50 10 KKGE Brc1cc2c(c([C@H](Br)c3csc(I)c3)c1)OCCC2 688369079 ALOJETDWQZUINX-CYBMUJFWSA-N 514.020 5.925 50 10 KKGE BrCc1cc(Br)c(OCc2sncc2Br)c(Br)c1 719821132 UVCZVVSMDHSOLR-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238570 VTWMBBBDORPCKE-ZHRRBRCNSA-N 571.452 5.866 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 725398062 XHXPQJRSYLSCNK-UHFFFAOYSA-N 633.490 6.221 50 10 KKGE C/C(=C/C[C@H](O)/C(C)=C\c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 725407270 IDHLZOWJDYQQSB-HRKBIROTSA-N 738.237 10.845 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1083970108 ASLGXSUNRNUXGW-UHFFFAOYSA-N 636.386 5.952 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1 1084045014 NVJIUIPTUHVUTH-UHFFFAOYSA-N 612.499 7.706 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 1084133219 LOLZKZBUWAWZON-UHFFFAOYSA-N 514.412 7.783 50 10 KKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084236439 KYRAXPFCKHGUBQ-UHFFFAOYSA-N 532.369 5.431 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl 1084377257 RZXSVZJTSYGCDC-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1084429578 ATMKAPOOUPCAIN-UHFFFAOYSA-N 735.484 7.396 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(I)cc1 1084657356 LSRVUFHZHQAYEF-UHFFFAOYSA-N 613.677 6.449 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1554493145 UVTIUZUYRSWCNN-BGQFGOBASA-N 611.768 5.742 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720043 DZTUTURHRCRVGE-UHFFFAOYSA-N 607.457 5.767 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)COc3ccccc3)CCC4)ccc21 1772750295 YZWSUVOQIWVGOA-UHFFFAOYSA-N 534.616 6.204 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(Br)c1 1772755605 NYCZHCNQHHTYBP-UHFFFAOYSA-N 574.313 6.617 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 1772756491 BAINQAWEXIQNQE-UHFFFAOYSA-N 511.844 5.826 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCCc1ccccc1 1865688063 HYOHBBSDKLOXHA-WJOKGBTCSA-N 572.640 6.586 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865691295 OSOTWCSZIZUGMT-QHCPKHFHSA-N 571.903 6.315 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865695060 INFAXEDYFIFGFE-RUZDIDTESA-N 564.539 6.204 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OC(C)C 1865695998 BBDQOSSJMAUKQA-LJQANCHMSA-N 504.896 5.558 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865702850 GQQPIHCXCYXJMU-AREMUKBSSA-N 510.569 5.753 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703608 CLNNWQYILQKTNP-GDLZYMKVSA-N 519.004 6.785 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704061 LTJRKOCKOMANFO-LJAQVGFWSA-N 533.031 7.038 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710684 FCJNFEJEXBMJBA-JOCHJYFZSA-N 567.365 6.547 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714732 OOJPFTUDTRQVPI-DEOSSOPVSA-N 579.440 5.855 50 10 KKGE CC(C)c1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962582 BQZVRMPIMJGSSR-NSOVKSMOSA-N 515.679 6.195 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867011074 YHJLNEMPWAFRTB-NSOVKSMOSA-N 513.663 5.908 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 1868301339 OGNUEHYGCVRFEQ-VWLOTQADSA-N 514.054 7.000 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4ncncn4)CC3)n2)cc1 1868528022 NESYHZVXGVWQQM-UHFFFAOYSA-N 510.627 5.428 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872726836 PTTPGCWHEXTRPL-XNTDXEJSSA-N 512.780 6.947 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c1 1872744498 VMAOOAWXNPSGIM-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE BrCCCN(Cc1ccccc1)c1ncc(I)cc1Br 1882958469 KCHXPYFZZCNAKT-UHFFFAOYSA-N 510.011 5.240 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2sc(Br)cc2Br)c1 1922944878 AKISHVOKTHLPQW-JTQLQIEISA-N 526.846 6.859 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(OC)c1 1923070986 GBWSMSOKZNEMEX-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE CS(=O)(=O)c1sccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071177 HGWJCXMUYCATPQ-LURJTMIESA-N 529.522 5.876 50 10 KKGE Fc1cccc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924592843 AABRPQRNAPMKDI-VIFPVBQESA-N 542.287 7.265 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1924593607 GJYDUJYOURQHOD-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE CC(C)(C)c1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924599832 MCHVTTURCJXSOP-NSHDSACASA-N 545.960 7.817 50 10 KKGE CC[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616551 QIIHWGGQYZRURF-GZMMTYOYSA-N 511.899 6.431 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083333392 GSNDNENSUKLYLD-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE CCC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499413 TZAIVBKJPWFVNL-AMXGMDGSSA-N 568.767 7.609 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2sc(Br)c(C)c2Br)cc1Br 2111087479 URHWMXBRLANDGF-NSHDSACASA-N 552.351 7.790 50 10 KKGE COc1cc(F)c([C@H](Br)c2csc(Br)c2Br)cc1Br 2138162882 VXJAKXLVKPLZBV-JTQLQIEISA-N 537.868 6.668 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1ccc(Br)cc1Br 2138848739 HLSSDSLETIVKPD-GFCCVEGCSA-N 515.840 6.792 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(Cl)c1 2142287371 MPILGSROYINVGP-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Cn1nc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1Br 2168208852 BBFIJTNCNDHACX-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1Br 2206397740 MHTILAHWXYDWCL-GGVHHTSLSA-N 594.761 6.596 50 10 KKGE Cn1cc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)n1 2218596991 ITBSSZCEOZRORZ-SNVBAGLBSA-N 505.805 5.331 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CCCCC23CC3)c1Br 2264961139 KNKGSAAXBKLZCH-RKDXNWHRSA-N 535.965 7.832 50 10 KKGE Cn1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)n1 2272728439 XSPUZBZCNRXLJZ-QMMMGPOBSA-N 523.795 5.470 50 10 KKGE CC1CC2(C1)CC([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2287687153 WMZQUIMIJHTVEC-OBRCGDTLSA-N 594.805 7.999 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2293198307 SCSASIUWLRRGOO-HSZRJFAPSA-N 552.881 5.845 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c(Br)c(Br)c1O 2293228288 MEXAMKGGZIZJSJ-UHFFFAOYSA-N 692.836 6.737 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccc(I)cc1 2295261900 CIPPWBVQZSXABZ-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Fc1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295277383 PRIMBDMOGOJYQV-LLVKDONJSA-N 505.834 7.336 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Cl)cc1 2296649492 BIRFNDRBWBXPIM-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE Cn1ncc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1I 2299504973 RUMMZBZXXIXPBD-KRWDZBQOSA-N 517.592 5.694 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1 2313560928 LWIAPGJYUUKWHC-UHFFFAOYSA-N 684.315 7.791 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567490 KCHQDDYIBQYLET-UHFFFAOYSA-N 567.402 5.265 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 2313568043 OFOZCLYGSSNTTB-UHFFFAOYSA-N 509.375 6.420 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571189 PHXUCMRNRHGAJP-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314618259 KGNSGTPDWPWVFU-UHFFFAOYSA-N 613.501 6.664 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314620170 LGXXINPIKUKJED-UHFFFAOYSA-N 621.093 6.317 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640710 PVGHNKVYVQLLTG-HKBQPEDESA-N 534.999 6.756 50 10 KKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927225 FKUWVCQLZKQWIE-UEBKNRMXSA-N 523.910 6.287 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687343 VJNJXGWRKLLKCV-UHFFFAOYSA-N 515.816 6.553 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3Cl)nc2c1 2331046540 PIYVVONGPQYLNT-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331331498 GLEOVRJHNFEDES-UHFFFAOYSA-N 519.626 6.854 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc2)cc1OC 2331335785 NHSVYOJTSSLSSG-UHFFFAOYSA-N 510.571 6.589 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331445293 FKPUFHXWYLTBHY-UHFFFAOYSA-N 520.246 6.894 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362223029 FLUZDYBPOGIIPP-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2079973 OLJIKHZFTMBSOI-QQNPRBCQSA-N 503.400 5.610 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)c2)cc1 35446179 HCKCADHGQXDDNZ-ITYLOYPMSA-N 504.590 5.193 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)c1 38684238 CJTZMLRFWCGMOF-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1I 96401918 YNBLTIPWWKLWDN-PDGQHHTCSA-N 514.750 6.069 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174873 FDUPOQFNEFIKLY-UHFFFAOYSA-N 613.100 5.246 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100213596 JSNHNZNNUTZFSG-OAQYLSRUSA-N 562.258 5.262 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 100234054 RTFHUHZRQYBXLD-UJBXUPAJSA-N 545.421 5.061 50 10 KKGE COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1 100548113 FDYBKKYVYWAXTG-MUFRIFMGSA-N 531.392 5.296 50 10 KKGE N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034000 KQXNPVCVQNEKQZ-ZDLGFXPLSA-N 517.526 6.432 50 10 KKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)c1 101115369 YYUYCLNGDJGKGX-LGMDPLHJSA-N 531.366 5.112 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244957 YZFQXDHHKBXBSX-JUEFXSDASA-N 536.484 6.929 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(C)c(C)c1 101246824 XTFOJHNTYOPQRI-OMBWOSJFSA-N 501.583 5.516 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101335601 RGGBUCDRHCULEC-TURZUDJPSA-N 552.675 5.901 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC 101339321 GSOININHZJLNMA-PCLIKHOPSA-N 538.600 5.126 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 101374024 RHFNFZPZGAPCPI-XIFFEERXSA-N 548.639 6.784 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381280 VZZGLAARLGARRY-XIFFEERXSA-N 629.540 8.072 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382187 UKWCLKTWFFCNQH-XIFFEERXSA-N 560.650 7.190 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385311 JBVWVDMEZFFNON-XIFFEERXSA-N 578.621 5.794 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385370 HDHNRWWCWFIMQM-MNAQKMTRSA-N 580.612 6.313 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1 101386153 SCKHMWJFLVRYCM-MHZLTWQESA-N 528.948 5.958 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389839 LLVDXHULTVWJDC-NDEPHWFRSA-N 577.420 7.001 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)cc1Cl 101390650 CYLZOFFXYMJFST-SANMLTNESA-N 553.442 7.008 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 101392527 NYSDDGJYVMEALZ-QFIPXVFZSA-N 587.868 7.316 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 101392725 NWRXFTHGVKNYER-HSZRJFAPSA-N 601.895 7.706 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101393087 ILWFWFKZQSCTIP-GDLZYMKVSA-N 573.045 7.328 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(F)cc6c5C)ccc43)cc2)cc1 101397487 AXKNOIZZWPZHSR-HKBQPEDESA-N 560.581 7.205 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 101670190 INJOLQJSGGGAQW-UDWIEESQSA-N 526.814 6.777 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccc(Cl)cc1 101697884 LIDXMSLYTWHRNX-XEVUTIDLSA-N 561.034 5.987 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 102685541 PIDFSZUDRBLIAQ-STZFKDTASA-N 536.407 5.205 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1 103741561 KBWUJVCHEQDSKR-QPQMVVSWSA-N 597.332 6.585 50 10 KKGE O=[N+]([O-])c1ccc(SC[C@@H](Cl)CS(=O)(=O)C[C@H](Cl)CSc2ccc([N+](=O)[O-])cc2)cc1 105418073 UZQMLBRYBSVAPP-ZIAGYGMSSA-N 525.457 5.017 50 10 KKGE CC(C)(C)OOP(=O)(OCOc1ccc([C@H](O)CN(CCCCCCOCCCCc2ccccc2)C(=O)OC(C)(C)C)cc1C=O)OOC(C)(C)C 150357856 MZIRYGCRYSTKIB-UUWRZZSWSA-N 767.894 9.324 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430653 ONBXQYVFJSXGAF-LJAQVGFWSA-N 712.438 9.930 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 150462686 UDBZBAMGAUOWEX-LEWMOKLLSA-N 632.742 5.553 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 164016687 JHCZXIGERBSWRS-IZYHBKOJSA-N 719.632 7.915 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682100 LMCNYCSDWPLKPZ-YSQKDFNPSA-N 505.227 9.203 50 10 KKGE C[C@H](CCC(=O)OCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 199286800 GBQVUQNNJWJOKI-LZSMPCBCSA-N 625.055 9.980 50 10 KKGE in-vitro COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1 206396425 PBVSIJTXMIFVGR-CNJLXQHASA-N 574.633 6.125 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 206698532 IQYJRRIHQURUKH-AVNGBLQDSA-N 509.562 5.538 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214393127 HZTJIFGGOPNTLC-RGXNXFOYSA-N 586.692 6.828 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1)CCCO2 232484684 HDJWEFUQZFDQNU-INIZCTEOSA-N 507.991 5.863 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@@H]3CC[C@]12C)n1c(=O)c2ccccc2c(=O)n14 253497430 CFLHTDQMABEIIR-BTSREQJRSA-N 602.892 6.995 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 254444132 GJURSSFAKVFDGO-XXJDVCLSSA-N 563.739 6.581 50 10 KKGE CCOc1ccc(OCc2ccc(C(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)cc2)cc1 254448235 FLTTTYLDGVOWSZ-UHFFFAOYSA-N 546.718 6.604 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CBr)CC[C@]4(C)[C@@H]3CC[C@@]12C 254511171 VJBCNYHZXKGYLM-LIWKOKORSA-N 509.613 8.414 50 10 KKGE COc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 254624057 NRXCLGMXELFWSE-UHFFFAOYSA-N 608.695 5.633 50 10 KKGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccco1 254844648 HRQMCWDTCZZVLR-UHFFFAOYSA-N 543.421 5.183 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(Oc4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(Oc2ccccc2)cc1 254875652 BVAJYSQKXPPHMR-WJOKGBTCSA-N 566.642 5.446 50 10 KKGE COc1ccc(CCNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1OC 256018952 BVUQXELRBRATLQ-RYGJVYDSSA-N 568.144 5.048 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccccc2Br)C1 303740691 CUAPQWRNRWVZAU-GOSISDBHSA-N 510.210 5.170 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616668954 LRADHVLLERDASV-HHHXNRCGSA-N 510.795 7.270 50 10 KKGE CCCCC[C@@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@H]1CCCCO1 725428762 OABDXHJQCAVVLW-MMHKYQBVSA-N 709.075 8.802 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084126555 QYEKEZGBHPNINQ-UHFFFAOYSA-N 614.123 6.426 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084163543 STTASEVGNOJZGA-UHFFFAOYSA-N 607.574 6.326 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Cl)c2C)c1 1084166316 CELMTVGKRZIMEV-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1084251781 CBHITVQHUDSGLO-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1 1084404332 DKNJCXNFEYEIPD-NMFJWWSRSA-N 541.607 5.052 50 10 KKGE O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084505311 JEPACJODUMSEGZ-UHFFFAOYSA-N 514.793 5.132 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 1084538243 OTLPZKOZWMORRZ-XMMPIXPASA-N 763.208 6.600 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(I)cc1 1084572794 FNKICEGKGRCCRZ-UHFFFAOYSA-N 641.509 7.409 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 1084634652 URWSKIXMLPSSFA-UHFFFAOYSA-N 543.970 5.446 50 10 KKGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)cc1 1088679701 JRMZEEDRYMUMGN-UHFFFAOYSA-N 511.909 5.271 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773206 OOEFJWPTKXCMDU-AKRBEURZSA-N 639.126 11.358 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748110 YLWOXCVGXDBEAF-UHFFFAOYSA-N 537.576 5.379 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1 1772748733 SWJQXSRFXFPVGS-UHFFFAOYSA-N 509.606 6.643 50 10 KKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772750236 XXDDCMCVCNYEGH-UHFFFAOYSA-N 514.409 5.945 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NC5CC(C)(C)NC(C)(C)C5)c(C)c43)coc2c1C 1772752075 TZWIYCGWNQFTCZ-UHFFFAOYSA-N 532.685 5.389 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754767 UMAXILBBBOLKDE-UHFFFAOYSA-N 552.650 5.973 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865682708 WCEKQEDECMZBAM-IBGZPJMESA-N 504.915 6.258 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690698 ZBRVFHYOYZSDOP-AREMUKBSSA-N 545.470 7.302 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OCC 1865691319 PIHQQRQRZARORR-MHZLTWQESA-N 557.050 6.607 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692464 GGWNEMDKVAQNRB-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695670 RDVLWZYGPBBHFX-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700658 AKZSMBHYQXTZEG-GOSISDBHSA-N 564.665 5.927 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OC(=O)c1ccccc1 1865704824 FNHHKEIUUFKRCV-RUZDIDTESA-N 574.559 6.013 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OC(=O)c1ccccc1 1865704946 IOMPLGXMUKUYHY-AREMUKBSSA-N 520.589 5.652 50 10 KKGE CCCc1nn(C)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705579 ZLCDBYOXANLQIO-OAQYLSRUSA-N 513.381 5.125 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705770 FNXUCLMTTNVOGE-INIZCTEOSA-N 510.259 5.383 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(Cl)c1O 1865706911 IPMPOCZGJHBSBQ-QFIPXVFZSA-N 502.933 5.323 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866679136 JABZYTXJILIAHU-MUUNZHRXSA-N 568.699 6.135 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866980746 RFTRPXDZDNYUQZ-SVBPBHIXSA-N 533.719 6.065 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867216693 RVGVWHVBIMCKDM-MHZLTWQESA-N 568.724 5.698 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 1872746555 NFIMQBWUCOHKPP-FCFMXISVSA-N 508.441 6.289 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(Cl)cc1 1872750708 OYKDENIWCVCNGI-VQUMOJERSA-N 507.036 7.619 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 1872754639 CAFCGJPXHYFCGB-HGIDEQORSA-N 501.608 5.939 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873793290 HLRKROOWMUHOTN-AKLYFZKISA-N 508.018 5.505 50 10 KKGE O=C(c1cccc(Br)c1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915261422 BBYBAILTSCTVBB-QGZVFWFLSA-N 516.071 6.028 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922885923 QQUXJHJLIZWEFE-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]21 1924571775 UGKYDSCAWIDKCT-LKHWLPBLSA-N 521.938 7.154 50 10 KKGE Cc1nc(I)c(I)n1-c1cccc(Br)c1CBr 1941557178 VGUSIGADPWNZQC-UHFFFAOYSA-N 581.815 5.047 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Cl)Cc1ccccc1 2009623122 ZBLHWPLZNPFSND-UHFFFAOYSA-N 521.908 5.558 50 10 KKGE CCN(CC)c1ccc2c(O)c(/C=N/c3ccc(CC(=O)NN=c4c5c([nH]c6ccccc46)CCCC5)cc3)c(=O)oc2c1 2037879500 RSKDYQUBLFFWPM-QLQYKETESA-N 589.696 5.630 50 10 KKGE C[C@@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085494675 NCJSKIUVVAKAST-MHTLYPKNSA-N 534.258 7.308 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@H]2C[C@@H]2C1 2085495422 KPJVNSDHTQMZJI-HCLRGFLGSA-N 522.300 7.063 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(C2CC2)C1 2141468810 NWUYEKMKQWQBPV-HLCFFCTHSA-N 536.327 7.453 50 10 KKGE C[C@H]1OC2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141471155 OQIRQKONPOSEJO-FZXYFAMSSA-N 538.299 6.584 50 10 KKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(I)ccc1Br 2146718808 KAHBFZCBMRMKHQ-YGRLFVJLSA-N 515.027 5.127 50 10 KKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397902 OFBHBCSSPRYIRN-UFBFGSQYSA-N 596.821 8.389 50 10 KKGE CCc1ccc(CC)c([C@H](Br)c2ccc(Br)cc2I)c1 2207270523 BRYQDKNIWUPSGF-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)cc1C 2227713463 JMYIROJNPIUSTI-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232515317 ZXRMNVZAWQAWCR-NSHDSACASA-N 545.256 7.996 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2234069430 SIASISHTFJUVEG-RQJHMYQMSA-N 550.314 6.367 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1Cl 2294619916 LXTQNHOEZPLQHW-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)C(=Cc4ccccc4)NC(=O)c4ccccc4)nc3c2n1)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297100594 OMXMYKQQAJTHGN-UHFFFAOYSA-N 762.830 6.625 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1OCc1ccccc1Cl 2297552067 UOMQTKVOKYXQPE-UHFFFAOYSA-N 548.982 6.249 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccco1 2297708251 QDHJUTURHJWBKU-UHFFFAOYSA-N 520.626 6.140 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567479 JYIGOERXGKHQBA-UHFFFAOYSA-N 801.204 6.335 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313670828 YXWKKRXXAPKHCD-UHFFFAOYSA-N 515.824 7.479 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 2313681249 XZKIUOJAISFBDP-UHFFFAOYSA-N 507.384 5.269 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 2314478679 QZEUGMCIEJFMDX-UHFFFAOYSA-N 540.623 7.063 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592312 QMPGRLMITIUCJR-SANMLTNESA-N 584.063 7.856 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(CC)cc3)C2=O)cc1 2314592960 FCANZKAJJZQTOU-HHHXNRCGSA-N 513.663 5.927 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314618933 WYXDBEGYTCIMSQ-OAQYLSRUSA-N 529.556 5.801 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OC)c1OCc1ccccc1Cl 2328821208 DVZYFNNTYNLXOE-JTSKRJEESA-N 504.027 5.317 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c1 2331246507 VMAOOAWXNPSGIM-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331351590 HKGJZDYHIWZRJG-UHFFFAOYSA-N 519.916 6.492 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 2331389031 JFNSKRGATJIFMF-UHFFFAOYSA-N 506.668 7.557 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331396525 KHVXDBGQYOEIDH-UHFFFAOYSA-N 514.390 5.995 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OC(=O)c1ccccc1 2331461178 SJWLBCZSYFRUQS-UHFFFAOYSA-N 524.642 7.408 50 10 KKGE CSc1ccccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362254356 LOWXLPWGVBVNTJ-GFCCVEGCSA-N 503.456 7.210 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2366405176 MULRVVKKOLVGHQ-NSHDSACASA-N 505.834 7.336 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 8455952 ZOCYOQCMSSJFGU-DHIUTWEWSA-N 525.476 7.132 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 29491764 LATULERGBRVELH-YRMZLVJVSA-N 675.815 5.549 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 38606285 QMMYZZGWKOSZRL-NLRVBDNBSA-N 524.621 5.265 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701256 VLZXBMNGHCTPKS-NDEPHWFRSA-N 508.574 6.666 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38701439 SEQNLLSYQDPQGK-IZLXSDGUSA-N 512.562 5.219 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174827 YYOZPAJYUZLSPS-UHFFFAOYSA-N 552.252 5.808 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100185694 ZIUDKTRORUVCTE-CQSZACIVSA-N 532.262 5.944 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100190881 CATDWUHFBPMJBC-UHFFFAOYSA-N 583.508 5.076 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1Br 100452017 DOPHKTICLDUNFO-BCWDXYJZSA-N 526.818 5.517 50 10 KKGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 100870106 MKAOSLNMVCULHA-CRLLLLONSA-N 642.845 6.160 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101246859 CZTFWGJTLUNPHS-NSSVPSLESA-N 552.483 6.684 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101336476 DIBRMYKTDUMMAO-RDRPBHBLSA-N 559.695 6.619 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337596 ILUWXNMXZHMYHH-VSZOBNKWSA-N 542.639 6.600 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101367836 GTVBNRADNSBSPN-ROTAYESASA-N 556.659 6.589 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 101368110 QKTRAIPOKBNBSX-HKBQPEDESA-N 542.632 6.084 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OCC 101374068 ZIFJJSXHJVPVQS-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384797 DYLOTUGOSZDCOO-MGBGTMOVSA-N 629.540 8.579 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101388119 NEQFEKXNTHYWFT-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1OC(=O)c1ccc(Cl)cc1Cl 101953847 QGFIJWACOYJVQJ-GEPNNGOASA-N 557.430 5.809 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc(F)cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102919313 KBEUFUYBTCBSDT-ZTYYLEJISA-N 548.606 7.083 50 10 KKGE O=C(/C=C\c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 102999758 AUAZMUPOTCSMFL-SDXDJHTJSA-N 616.621 6.196 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1 103876766 AUKYKJAZHADROU-CCVNUDIWSA-N 574.802 6.432 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104988598 AJCPDJDNAJMABL-XTTVRQQNSA-N 565.226 5.730 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 150419018 ZTYGKZKPGSRQOJ-UHFFFAOYSA-N 641.769 5.201 50 10 KKGE CCOc1cc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442410 MGTJPSIJFCRDID-QJOVZPHJSA-N 654.517 7.063 50 10 KKGE COc1cc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cc2)cc(OC)c1OC 150446215 QOFUURDEQBTQJK-KMUKQRDJSA-N 640.490 6.673 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 150484958 ZCQAFRDSKKUKOR-PMERELPUSA-N 631.523 7.909 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485844 JMVWZJQDKDUWHW-XIFFEERXSA-N 631.512 7.346 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccccc5)ccc43)cc2)cc1 205662008 RPIIEAVTYIJTPF-YLQFYBHTSA-N 514.581 6.411 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205775587 JOWPRDSPMKLVNS-UPJRRAFRSA-N 632.742 5.553 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 214375454 MZRHBQQHSWRYED-YUMHPJSZSA-N 544.611 5.657 50 10 KKGE CC[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 216491812 DWSYXRBMTBKVEW-BEGUPCSFSA-N 518.705 5.947 50 10 KKGE CC[C@H](NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccc2c(c1)CCCC2 217192419 CSDJVBVOKSNTIX-YWRNMLBISA-N 506.675 7.237 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc(OC)c1OC 252621882 NJBXXGKZLRILCC-UHFFFAOYSA-N 672.549 5.061 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)cc1CN1CCOCC1 252641535 ZEKXXEAGAYPLOB-UHFFFAOYSA-N 508.622 5.123 50 10 KKGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NN=Cc3ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c3)CC2)cc1 254287420 CRAOLVXZMZQPPM-UHFFFAOYSA-N 661.728 5.141 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1 254582951 HUHPQZRRUOSOFD-UHFFFAOYSA-N 517.658 6.461 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 254845490 VSANUFCNZJPJHP-UHFFFAOYSA-N 511.578 5.261 50 10 KKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(Br)ccc2I)C1 395356869 VGLBUMVTFBZEET-NSHDSACASA-N 515.027 5.079 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2N)(c2ccccc2)c2ccc(OC)cc2)cc1 616587644 YQKHBJHBEGXBKB-FNIFURQRSA-N 787.006 7.720 50 10 KKGE Clc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1 721573822 SOXNYILDRDJDKU-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE Brc1cc2c(c([C@H](Br)c3ccc(I)c(Br)c3)c1)OCC2 721589756 UVHLTWCEILBFSG-CQSZACIVSA-N 572.860 6.235 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(N2CCCCC2)CC1 725238955 ZMAPSUGRICEIKG-QHCPKHFHSA-N 528.040 5.557 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 725409333 FAXAEFXYYLJZCU-DEOSSOPVSA-N 511.416 5.391 50 10 KKGE CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1N=C1[C@@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 1081088288 GMRWFFOCVOKFBW-JUFIIOIISA-N 530.506 7.834 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1I 1083916395 YMIYIMQDTMQKSO-UHFFFAOYSA-N 560.189 5.268 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1083965825 VNABBBSSGUMEAF-XMMPIXPASA-N 633.439 5.150 50 10 KKGE COc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1 1084049903 XVPGQAIYAFEZNX-UHFFFAOYSA-N 601.641 6.520 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4cccc(C)c4C)c3C)sc3c2CCCC3)cc1 1084123275 ZEQKDWXXJINTBA-UHFFFAOYSA-N 553.732 7.368 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084257153 HBVVDTPBFGPOJE-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084405856 XLJHRBFCSJPCNP-XMMPIXPASA-N 531.436 5.944 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C)c1 1084424452 XZBWOUKWMLEEQA-UHFFFAOYSA-N 586.280 7.008 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)c(C(F)(F)F)c2)[C@@H](CI)C1 1614628715 YTNCSSMHNVMVAD-JKSUJKDBSA-N 507.265 5.632 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718715 MHIRQHWURQEYLP-GYJSJHSDSA-N 541.800 5.124 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCCCCC(=O)NN=C1C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 1772720370 LWCLTBZHWITENV-UHFFFAOYSA-N 600.764 5.275 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745825 JCEDRNZTMYICIC-HNNXBMFYSA-N 504.518 5.087 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747723 QEXMQZBYCGBCAP-UHFFFAOYSA-N 571.435 6.884 50 10 KKGE CC(=O)Nc1ccccc1Sc1ccccc1C(=O)N1CCN(CCOCCO[Si](C)(C)C(C)(C)C)CC1 1848437340 WDDXIERRHZFTGH-UHFFFAOYSA-N 557.833 5.592 50 10 KKGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)CCCOc3ccc(Cl)cc3Cl)c2)cc1 1860513395 CASZQXZOWNDOIO-UHFFFAOYSA-N 501.395 6.012 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687153 KOAQSPGECOWBEK-NDEPHWFRSA-N 506.606 5.608 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Br)c1O 1865687887 CPGDWZLVDHMIBD-QHCPKHFHSA-N 517.383 5.419 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865692852 GEOMMLBCMWTAKX-HKBQPEDESA-N 528.612 6.530 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865695061 INFAXEDYFIFGFE-VWLOTQADSA-N 564.539 6.204 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1O 1865695833 HTVLAIUJVRMQCS-SFHVURJKSA-N 549.347 5.262 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703537 APTLVPFYQREEBY-WJOKGBTCSA-N 544.630 6.973 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865707229 RKDJUJQPMCQWSE-MHZLTWQESA-N 530.459 6.732 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867215308 XQNBZZDROLTXNI-GAJHUEQPSA-N 507.587 5.081 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 1872747901 YNOFBMLLFAWXMA-OLUGBCFNSA-N 519.623 5.110 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872749074 AHFDGLIKSQOZSI-NAMOVJPQSA-N 512.418 6.620 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873793262 GDRLKRHUNABYEX-AKLYFZKISA-N 508.018 5.505 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 1924591342 QALNJMFPAKAIFS-MAUMQABQSA-N 521.938 7.298 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2016553510 UUVHYWLHXNBSBS-VSHUJIODSA-N 505.895 6.374 50 10 KKGE N#CC(=CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 2041576663 YVAIRJDMDHZSPL-UHFFFAOYSA-N 558.763 6.559 50 10 KKGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)Nc3ccc(Cl)c(Cl)c3)=C2N2CCOCC2)cc1 2053607263 ZUGPOUNCYHEYQJ-UHFFFAOYSA-N 542.511 6.411 50 10 KKGE O=C(O)CCCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr 2069469207 KNCIEYSCKLWSNE-UHFFFAOYSA-N 873.961 5.089 50 10 KKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2100838612 MJWMFMUUVNWCRI-PSASIEDQSA-N 537.981 8.078 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCCC2 2141472086 ZQNYLDPBNRDXCN-CPFSXVBKSA-N 536.327 7.597 50 10 KKGE CN(C(=O)c1cc(I)ccc1Br)C1CCC(CBr)CC1 2171112053 RPPJHWCEMNBIIK-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 2175011026 SJLRRQUDWXNBAY-TVYUQYBPSA-N 585.445 5.649 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2ccccc2I)c1Br 2201065429 QJEOVEXWSUEFOW-CYBMUJFWSA-N 572.904 7.112 50 10 KKGE COC[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394524 HQUJIQXFPCPPIJ-KXEKKFMESA-N 554.342 7.079 50 10 KKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396597 YRURXDXDQKYNIQ-NSHDSACASA-N 615.183 7.044 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCC23CCC3)c1Br 2206397055 DOLRLBBINLBQHH-DTWKUNHWSA-N 594.805 8.143 50 10 KKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399188 DGYBHAHHHSDNMR-MLUIRONXSA-N 602.731 7.608 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1cc(I)cc2c1OCC2 2226125846 ZDIZRUNQFXCBFD-LBPRGKRZSA-N 514.020 5.843 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c1Br 2237458368 PEKPYABNKGEKQN-AWEZNQCLSA-N 501.871 7.459 50 10 KKGE Brc1cc2sc([C@@H](Br)c3cc(Br)c(Br)s3)cc2s1 2263562959 HGBQTYQKEXYWEY-JTQLQIEISA-N 551.970 7.796 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(C)c(I)c2)cc1I 2269547580 DIXNVDDNMVYVHW-HNNXBMFYSA-N 542.980 5.697 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277959489 UESXREFJVJONRY-LBPRGKRZSA-N 515.840 6.792 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)c(C)c1F 2279149243 NHDYGWWGLXOUBX-CQSZACIVSA-N 532.416 6.900 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 2293264714 LJVNEYPBAWUQBH-UHFFFAOYSA-N 673.597 7.379 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C 2293456929 GJYGKSQFOIAUAV-UHFFFAOYSA-N 582.394 5.821 50 10 KKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 2299837200 BACJRFBGWBELOP-QUBYGPBYSA-N 519.869 7.153 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)sc1Br 2301043607 GBRDMWJLGIGPEA-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 2313518711 PFDHGUYRAMGJER-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 2313521467 QAZLOQUIZOJFKF-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1 2313567932 PVXLXKPNRWYVDT-UHFFFAOYSA-N 571.302 6.591 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(I)cc1 2313568059 ONPMALZPIMKMPX-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643117 CEKNKDPSESCDQD-QNGWXLTQSA-N 614.742 8.107 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646883 SVAAFWSJTPWOMF-LJAQVGFWSA-N 632.742 5.635 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 2331345376 HGDJQOQDDQCOHB-UHFFFAOYSA-N 518.723 8.637 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1OC 2331418356 UHTBLTKTQCRVHW-UHFFFAOYSA-N 515.429 6.450 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 2331429313 MVGNWOLJNLUPJL-UHFFFAOYSA-N 508.687 8.237 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2338721270 XVOMVYZZVFYRIJ-QMMMGPOBSA-N 540.250 5.984 50 10 KKGE BrCc1ccc(OCc2cc(I)ccc2Br)cc1Br 2341781948 ZXYVHPHYKHSUTH-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE Fc1ccccc1[C@@H](CI)OCc1cc(I)ccc1Br 2367602052 PGOMCRUVLSTUNH-OAHLLOKOSA-N 560.970 5.886 50 10 KKGE COc1ccc(/C=N/NC(=O)c2c(Cl)cc(Cl)cc2Cl)cc1CN1CCCc2ccccc21 3064483 RFTKYJWQGLATGB-IPPBACCNSA-N 502.829 6.372 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 8386121 XASWKCZDOYGMIV-NROYUWHNSA-N 614.338 5.685 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)cc1 33385779 YZHJLENUSIKDTC-XHPQRKPJSA-N 507.597 7.367 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)Nc1ccccc1 33471730 WUACSBSTBGCYQU-NDENLUEZSA-N 512.547 5.809 50 10 KKGE O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809162 NLHKPIGENBXMIH-UHFFFAOYSA-N 513.384 6.345 50 10 KKGE O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cl)c1ccccc1 35729309 RXCLSIGWZGHOQT-NHCUHLMSSA-N 511.434 5.505 50 10 KKGE CC(C)(C)C1=CC(=CNNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)C=C(C(C)(C)C)C1=O 38204993 UFZQQDLPEWSGSH-UHFFFAOYSA-N 522.693 6.640 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651515 QIELIABEJDGWOY-PSLXWICFSA-N 509.331 5.179 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc(OC)c1OC 38660589 HYTAYKLWVBKRGH-HHHXNRCGSA-N 508.530 5.303 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)oc2c1 38688281 PCAJGHQWMPBINE-DEOSSOPVSA-N 505.357 6.794 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38688744 GPPRPKFDKHHNRP-HHHXNRCGSA-N 510.546 5.813 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 38700621 BJAHRLAKBFXCMU-NDEPHWFRSA-N 522.557 6.060 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccccc2)CCC3)c(Br)c1 40816198 LWVWHPNLKVVPJN-VFCFBJKWSA-N 510.388 5.147 50 10 KKGE Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 58890821 FHIOTKGKVBSFFL-FLANDWEYSA-N 513.554 5.154 50 10 KKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O 85593669 GVDGCOQYLNQNKJ-XRWAJPJBSA-N 521.441 5.126 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100139691 HPCBATADOGTCKX-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 100237222 OHTWHAAOFVSDBX-PCYMAAINSA-N 545.419 5.633 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@H](CC)C2 101193841 YMJFDDZKWIDVDF-DLEKYWELSA-N 543.472 7.552 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240994 OIZSAEYRTOOAPR-IYQUHZLLSA-N 550.511 6.859 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101314708 VYMUBCXPUXQWMO-RUZDIDTESA-N 529.017 6.865 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101337730 ZULXRSBZAOUCNZ-CPOSWLHTSA-N 590.683 7.472 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 101339502 ZNLWNCPDZOFEFK-OGLMXYFKSA-N 577.084 7.082 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 101377663 UFHZVXYJSOFFHI-MUUNZHRXSA-N 561.476 7.236 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101380042 RPSRABYVMMFITB-HKBQPEDESA-N 567.041 7.145 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381130 QDIUZURITARMAD-PMERELPUSA-N 573.432 6.775 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381214 LWMJRNPGBUOIQU-JGCGQSQUSA-N 615.513 8.189 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(C)cc1 101385169 VKGWLDGAOIABCH-PMERELPUSA-N 597.465 6.783 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101385384 LUUGTMOVUSOZNX-UUWRZZSWSA-N 568.629 7.173 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1F 101386826 PGFRYDIBWKORBS-XIFFEERXSA-N 580.612 6.233 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101389007 UKHWZBOUCRFHKN-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 101391928 YPRMYJATVABSBS-OAQYLSRUSA-N 527.816 7.299 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101392030 CCBVPRPUPRTQEH-OAQYLSRUSA-N 562.261 7.952 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1 101392987 CTNMYXXQJPUQGQ-JGCGQSQUSA-N 572.617 7.075 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)oc2c1 101393714 UKQZWBIWAWXLCV-PMERELPUSA-N 528.564 7.279 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCCC)c(Cl)c3)ccc21 101395056 LWJWAQPKQIWLSE-NDEPHWFRSA-N 581.496 7.789 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)oc2c1 101397888 DJVUHLYEMCSOBX-HKBQPEDESA-N 560.581 7.205 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 101726979 MLGFPDNKEZUJJU-KBVAKVRCSA-N 545.730 6.938 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102399773 KUNHRKDRVRHOSK-AQTBWJFISA-N 547.976 6.959 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 103876682 HGWFPNBKVIPSFP-XZYGTATASA-N 608.492 7.287 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 103880917 JWYGDNRTINTDGX-XODNFHPESA-N 572.799 6.499 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389920 SOBQAZBEDLHBPL-UHFFFAOYSA-N 680.600 5.260 50 10 KKGE O=C([C@H](Br)CCCCNCc1ccccc1)N1CCOCCOCCN(C(=O)[C@H](Br)CCCCNCc2ccccc2)CCOCCOCC1 150398632 GXYXKDCEJYRVOK-LQFQNGICSA-N 826.712 5.171 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 150429336 CYUURTRJWCXYPF-ZZJXEYPFSA-N 716.208 6.758 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430604 XSXBPNMYLZXUBO-YTTGMZPUSA-N 641.507 8.463 50 10 KKGE CC(C)(C)OOC(=O)c1ccc(C(=O)c2ccc(C(=O)OOC(C)(C)C)c(C(=O)OOC(C)(C)C)c2)cc1C(=O)OOC(C)(C)C 160021992 KGGOIDKBHYYNIC-UHFFFAOYSA-N 646.686 6.465 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1 164612674 CFNZZAQAYOXLLL-LUOAPIJWSA-N 619.209 5.872 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1 164625292 BNXFHQQROIZBGM-ORBVJSQLSA-N 745.105 6.476 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1 164637902 KHXLGORTRCUGQR-JRZNSJKLSA-N 691.569 8.562 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682099 LMCNYCSDWPLKPZ-QLRIEFGFSA-N 505.227 9.203 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1OC 206505484 YVRZMWNQXJERLR-ICJAMGLRSA-N 520.626 5.715 50 10 KKGE CCCCCCCCCCCCOc1ccc(C=NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 254607200 QYTCXJYGLQYEMD-UHFFFAOYSA-N 507.597 6.317 50 10 KKGE O=C(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1OCc1ccc(F)cc1 254738561 GMNZYYNUMXQEFE-UHFFFAOYSA-N 515.588 7.638 50 10 KKGE Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@@]1(C)O)C2=O 257620232 XGGIVXWAYKZBIV-PQHVKUDJSA-N 547.903 5.493 50 10 KKGE O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1I 263628649 BYZJZUDMOCDWQX-HXUWFJFHSA-N 686.094 5.326 50 10 KKGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1Br 382694864 SYWMJBAJCBCGFJ-IRXDYDNUSA-N 530.200 5.245 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586861 HODUUTHQNQITGS-YJLLTSSNSA-N 779.062 9.261 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591266 XORYGFNCJVGENP-GCQWZUAASA-N 795.014 9.608 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1 1083868800 JDLNIVABKWZCOJ-UHFFFAOYSA-N 562.047 5.506 50 10 KKGE C=CCOc1c(I)cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1I 1083957932 YVXAOQJBBIOGOT-UHFFFAOYSA-N 663.253 5.079 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1083976516 WGSPGDGRFNGGDL-UHFFFAOYSA-N 542.386 5.498 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084096975 DLWODBBWBQGQGQ-UHFFFAOYSA-N 577.706 6.381 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 1084267608 SXXCDRROCYYVAY-LJAQVGFWSA-N 516.041 6.290 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084293315 XWNSVGZCTKLBBJ-UHFFFAOYSA-N 652.094 7.437 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=CC2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 1084320257 DMNNDDNTDPWXMM-WEZIJMHWSA-N 524.661 6.640 50 10 KKGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(I)c1 1084479914 GZEFSIHCFRPVIJ-UHFFFAOYSA-N 616.308 5.642 50 10 KKGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1OCC 1084557366 RTTNDEHJKZWHNX-UHFFFAOYSA-N 550.464 5.136 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772747789 QZIYSZBVISDCRG-UHFFFAOYSA-N 523.589 5.995 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748194 JMQWYMQDJTXPNL-UHFFFAOYSA-N 546.671 5.539 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865686783 ATGYCFWQRNAYRI-QFIPXVFZSA-N 546.977 6.399 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865689020 HUZUKCMLXUPSTE-IBGZPJMESA-N 504.896 5.560 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692446 FWMQIFFLWVPPTG-MHZLTWQESA-N 545.470 7.237 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Br)c1OC(C)C 1865698027 IGUGVAMGJACFNI-QHCPKHFHSA-N 558.436 5.711 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703013 KUPVFOKZWYHIKK-MHZLTWQESA-N 576.484 6.722 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)c1OCc1cccc(C)c1 1865704819 FLRMAAWJZNTAJG-LJAQVGFWSA-N 520.633 5.971 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705094 MDUQSDVPZAVSKY-RUZDIDTESA-N 571.431 5.643 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706063 MSMWATMPKZUYGE-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706993 LGCSUPCFYSAFRD-NDEPHWFRSA-N 558.513 7.376 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712960 MXNGRZHYKWIYDW-DEOSSOPVSA-N 500.961 5.926 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2cccc(Br)c2)c2nccs2)cc1 1867036631 NNIGLXLWFAARFL-LOSJGSFVSA-N 591.556 6.367 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868300317 BBVRYFJCNLQKLI-AREMUKBSSA-N 547.728 7.577 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c(C)c1 1872756826 CJQIGLHEWXAVTN-RWEWTDSWSA-N 506.587 5.876 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872795144 PQJHJCLXHNGFTN-AWNIVKPZSA-N 510.240 7.351 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccccc2I)s1 1900919854 QHGLCSWVSPOXJR-JTQLQIEISA-N 539.401 6.095 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccccc1OCc1ccccc1 1923038884 KYWSZXAKIQOMBP-HNNXBMFYSA-N 507.074 7.834 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1csc(Br)c1Br 1923070422 AESQGFMNUATKPB-BYPYZUCNSA-N 609.222 7.997 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc2ccsc12 1923075149 XPDCPHHLJTUIAG-SECBINFHSA-N 501.490 7.626 50 10 KKGE COC1(C(F)(F)[C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924568520 HVCVTLRFCPOHJS-ZETCQYMHSA-N 503.428 6.520 50 10 KKGE Cc1ccc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924584767 CDFDPLYNYKOOLC-SNVBAGLBSA-N 517.906 7.137 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3sccc3s2)c1Br 1924593307 DMJKKHKTTIWPQW-QMMMGPOBSA-N 551.970 7.796 50 10 KKGE Brc1ccc([C@H](Br)c2csc(I)c2)c(Br)c1 1994134532 DTLFOQREZPXPQK-LLVKDONJSA-N 536.852 6.362 50 10 KKGE ClC1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2025783186 MRSIJNCJQLSTIQ-UDSLYJHRSA-N 575.158 7.190 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)cc2Cl)c1Br 2138852083 MJFYFUIVHCFKIA-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Clc1c(Br)cccc1COc1c(Br)cc(Br)cc1CBr 2166826514 QHTSMJZHHLWECC-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2206406160 VZRPXPYSEJSMES-PFAVVVPUSA-N 548.338 7.309 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1cc(Br)cc2c1OCC2 2207271667 JTDDICJLUWYOEU-CQSZACIVSA-N 528.409 6.079 50 10 KKGE Cn1ncc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1I 2218595927 BWHAWVTZNOUVAZ-JTQLQIEISA-N 508.354 5.017 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)c(Cl)c1Cl 2232511777 LZPZCMCNGBUINP-NSHDSACASA-N 542.707 8.310 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232511886 RNVVHYUYJUKVND-LLVKDONJSA-N 589.707 8.152 50 10 KKGE CC(C)(C)OC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2232950075 KRBHQLXEOFBDDO-AMDVSUOASA-N 553.980 7.455 50 10 KKGE Cc1sc([C@@H](Br)c2cccc(Br)c2Br)c(Br)c1C 2253474222 FFRKQGIBVZIBLH-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1I 2256334926 DEDPODNZGQMNCV-MRVPVSSYSA-N 516.840 7.451 50 10 KKGE Brc1cc2sc([C@H](Br)c3scc(Br)c3Br)cc2s1 2263630044 IMKIPOANCGMSHD-JTQLQIEISA-N 551.970 7.796 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 2295956220 GVGCZKQMGXPSOY-UHFFFAOYSA-N 577.018 6.605 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834367 BUMLMCHNHNMUHF-QFIPXVFZSA-N 583.305 6.277 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2297321363 DEKHXVPIYZPGSR-UHFFFAOYSA-N 506.606 5.226 50 10 KKGE Cn1nc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299535623 RCVSISILKPSBMD-SFHVURJKSA-N 515.043 6.008 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 2313532905 AIIZQOISAGMTJU-UHFFFAOYSA-N 507.388 5.783 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571396 VLEOGJUXOKJTIM-UHFFFAOYSA-N 625.100 7.341 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 2313667273 JNDYXFCWUOGOCO-UHFFFAOYSA-N 526.228 6.645 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1ccc(OCc2ccccc2)cc1Br 2314456657 YPURVGQQWFVEKZ-FQEVSTJZSA-N 527.627 7.155 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(I)cc2)cs1 2314488620 LRGRYFMEWZUEDB-UHFFFAOYSA-N 615.434 5.861 50 10 KKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2314532571 LLCBCBMLFGZHBT-UHFFFAOYSA-N 521.360 5.656 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591725 CJJLJHUENDDPPV-RUZDIDTESA-N 546.490 6.637 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314591740 CPFDRSSXPDSYNF-XMMPIXPASA-N 536.484 6.984 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592557 XNQHOIYDAOKDOX-RUZDIDTESA-N 546.490 6.385 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314617877 CGJMFZIPTRUFBW-MHZLTWQESA-N 550.659 5.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314617901 CUGNHPCXYLWWBE-UHFFFAOYSA-N 550.416 5.489 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634716 CMULYUMJXZCSMP-WJOKGBTCSA-N 522.645 7.000 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 2314773832 DWEKZWRFKSYEII-UHFFFAOYSA-N 513.594 6.071 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328796443 URLKEQSZVOTJHZ-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331231844 JSEYPJXPKUZLKY-HHHXNRCGSA-N 519.626 6.981 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5c[nH]c6ccccc56)cs4)cc3C2=O)c(C)c1 2331346652 BUGSCPAMGYWGML-UHFFFAOYSA-N 516.582 6.659 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)c2ccccc2)cc1 2331402856 YXVOJYSQUAFVBQ-UHFFFAOYSA-N 508.643 7.868 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1OCc1cccc(C)c1 2331479064 RUGNNZAUSMFISJ-UHFFFAOYSA-N 508.687 8.376 50 10 KKGE CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 2333109901 WPYBDOJHQDQXDD-NTJIJKRXSA-N 556.992 10.171 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1C 2360417006 DMTWVYHGKIAQSP-NSHDSACASA-N 525.890 7.820 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 1746046 GVGCZKQMGXPSOY-JXAWBTAJSA-N 577.018 6.605 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)sc2c1CCCC2 1785597 YRVIYQRAZJWQJB-QUQJVCFCSA-N 588.513 6.280 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 40514529 MYAAGVLLGDEIGR-BUVRLJJBSA-N 510.569 5.612 50 10 KKGE COc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OCc1ccccc1 51075638 HZDCDXIGXDMIKR-OHUYPAJKSA-N 571.102 6.568 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 59475526 IYBICSCWECEKGB-AXVACJNXSA-N 520.662 6.014 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 96438660 OBEZUPWULCPZBK-ORQKMDSUSA-N 510.569 5.539 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914978 PVTDDEYFUYWGDX-NDEPHWFRSA-N 515.094 5.940 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100147081 ZVNQLRWKBAYFHW-UHFFFAOYSA-N 558.498 5.276 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1 100185742 WBAGCFYSRIZQPO-UHFFFAOYSA-N 528.241 5.011 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335680 OJPVBIVUIFXQMC-RQZCQDPDSA-N 542.773 6.144 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C1CCCCCCCCCCC1 100429168 COWSKXYUXAJLQD-UHFFFAOYSA-N 502.291 6.676 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 100452220 BFYGLQDRFZFTBY-BAAUMNHKSA-N 546.805 5.554 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241025 NUZHPPYVMCKKHY-IYQUHZLLSA-N 584.063 7.225 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244712 LUYCFYBAVHRVHY-FYAMCCBRSA-N 504.011 5.804 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C2=O)cc1 101340205 QYPCCAFSOFZHGU-AJBULDERSA-N 586.692 6.479 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340511 WOWGGURTVFJSEZ-OGLMXYFKSA-N 548.643 6.583 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101362268 PJXFOCZZCXNEFO-OAQYLSRUSA-N 560.475 5.764 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101377767 FRPXGGZIIAFASQ-SYBKDCGNSA-N 577.508 8.180 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 101377905 FFVRATFSLXNRPJ-WJOKGBTCSA-N 540.660 6.855 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380442 YDSSZFOUEGNLPV-XIFFEERXSA-N 578.640 6.905 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381387 CCTIVEDUTSCQJR-PMERELPUSA-N 557.433 6.939 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1Cl 101394944 WVSVQJBHBBISFY-VWLOTQADSA-N 555.483 7.332 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102664495 HGFMXDIOWBNPTI-AQTBWJFISA-N 547.976 6.959 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)sc2Br)cc1OC 109870086 LLVNFCGJTSAKGC-CYBMUJFWSA-N 501.034 5.783 50 10 KKGE BrCC(CBr)(Cc1ccc(I)cc1)c1ccccc1Br 118878857 WHLJXXDXJKBRJK-UHFFFAOYSA-N 572.904 6.324 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1 150382928 GAQOEGALMPUHJR-MGCJZSHXSA-N 658.249 5.578 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](C)C2 254440169 CRZBCLIUAIVWMO-XMMPIXPASA-N 661.784 6.570 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(Cl)cc3Cl)c2)nnc1-c1cc(C(F)(F)F)nn1C 254557776 ANPRHMNVAXHTMR-UHFFFAOYSA-N 642.491 5.854 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccccc1Cl 254669088 OKVHDQNOYUQXAD-UHFFFAOYSA-N 527.053 5.928 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2csc(I)c2)c(F)c1F 398523761 OEAZXDJVCFDQPA-SECBINFHSA-N 511.926 6.017 50 10 KKGE CC(C)(C)OC(=O)N1CCC(N(CC(=O)OCCl)C(=O)OCC2c3ccccc3-c3ccccc32)CC1 616577465 MOZIVEGSBPLLQF-UHFFFAOYSA-N 529.033 5.377 50 10 KKGE O=C1Cc2cc([C@H](Br)c3scc(Br)c3Br)c(Cl)cc2N1 707834791 JXRZKBGWTCNEAD-NSHDSACASA-N 500.437 5.905 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1083952486 XZYIPYSUKRIILA-VCHYOVAHSA-N 545.806 6.868 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1083965164 PWSXXMLBEPYUCL-UHFFFAOYSA-N 507.590 5.116 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 1084022089 DVCHEEAOWZSYBR-QFIPXVFZSA-N 546.259 5.755 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1 1084025009 ZBYHAJDGTCNWGF-QFIPXVFZSA-N 611.249 5.736 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 1084199429 DOYIRDDRZYDJCQ-UHFFFAOYSA-N 599.757 5.053 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1Cl 1084333751 FSGSGWHKASSTMV-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084389326 OMNXRSLDJHICQR-UHFFFAOYSA-N 639.506 7.475 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1Br 1084403694 XRNSCDPDAIGSAU-UHFFFAOYSA-N 678.436 6.826 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084425147 ZRUBSRQZTJNZTN-CQSZACIVSA-N 502.785 5.481 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084460692 IHZITMRQPSOJJT-YBFXNURJSA-N 562.280 8.162 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 1084490989 CHNKVQFYDLLOPD-UHFFFAOYSA-N 599.942 5.676 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084586316 WJSDVEIZDBXXAG-MFOYZWKCSA-N 536.242 7.824 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1C 1084600693 HSZQAMGTGGONKM-UHFFFAOYSA-N 500.646 7.241 50 10 KKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 1772744059 QXYTVUKVPBXIAS-UHFFFAOYSA-N 527.362 5.224 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(-c5ccccc5)cc3)CCC4)ccc21 1772746962 JFUBEQPHNWVCBJ-UHFFFAOYSA-N 580.688 8.106 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(C)c1 1772755019 GYZKFARFHPISFS-UHFFFAOYSA-N 503.649 5.949 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cccc(Br)c1 1865684082 MVEJAMDYDYDSMW-IBGZPJMESA-N 511.301 6.025 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc(OC)c1OC 1865692748 PCSVDJOUZLCFEZ-HSZRJFAPSA-N 559.420 5.546 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696801 KSOVYHPGWLHZHT-MHZLTWQESA-N 522.605 5.334 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702018 KUVCGGCOCZCUCJ-FQEVSTJZSA-N 536.232 6.310 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1C 1865703271 RYMVEBNOSZGECW-WJOKGBTCSA-N 534.660 6.361 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704056 LRXGMOIHBDITOC-PMERELPUSA-N 512.613 6.444 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1 1865705693 CGBDJZNXIHWEHM-XMMPIXPASA-N 511.969 5.995 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1865714303 GTNVUNLDAAPGFE-QFIPXVFZSA-N 517.814 6.232 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866759639 FCPXITKHXRZFGM-BDYUSTAISA-N 503.643 6.203 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)[C@@H](c2ccccc2)c2ccccc21 1868365492 QKLHTSIFYWJVBZ-YTTGMZPUSA-N 539.708 8.348 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872752135 ONKOSAWYJYGISE-LNVKXUELSA-N 502.552 5.711 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)cc1C 1872756498 MMAUOBNRGKHCMJ-UZYVYHOESA-N 503.849 7.495 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872790967 OBTFNFZXIPSOFN-YBFXNURJSA-N 521.425 7.717 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCCCc1ccccc1 1872793345 VRQDNJFCGFGCEX-KOEQRZSOSA-N 510.659 7.520 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)c(C)c1C 1872793440 ZWGNHMCFYDUNIE-GIJQJNRQSA-N 513.457 7.058 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccsc2S(C)(=O)=O)c1Br 1922933678 YJLVLCODZDEIFA-QMMMGPOBSA-N 509.104 5.531 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 1923049620 MPFLDZZZYFHDCC-YFKPBYRVSA-N 609.222 7.997 50 10 KKGE COC1(C(F)(F)[C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924568519 HVCVTLRFCPOHJS-SSDOTTSWSA-N 503.428 6.520 50 10 KKGE C[C@@H]1CC[C@](C)([C@@H](Br)c2c(Br)sc(Br)c2Br)C1(C)C 1924609037 RBMKKFYITDRBTQ-LJXOEOAUSA-N 537.981 7.934 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(I)c1 1948503153 ANDYWPLRXHLVSI-NSHDSACASA-N 510.391 6.392 50 10 KKGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2I)c1 2053623379 VGTSDEIBQBEWAO-UHFFFAOYSA-N 664.237 6.027 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2C[C@@H]3C[C@H]3C2)c1Br 2085496978 YWILNRBTTVDUDU-ZJXQECPTSA-N 566.751 7.219 50 10 KKGE CC(C)(CCF)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500320 NPRYROCUCRBCKL-NSHDSACASA-N 574.746 7.558 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)sc2Cl)c1Br 2136380230 SMOQNCVUJOPUGF-GFCCVEGCSA-N 507.900 7.681 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)Cc1ccccc1I 2203006162 CHPLJKOIINTCHE-GFCCVEGCSA-N 530.425 6.394 50 10 KKGE FC1(F)CCC[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395117 LSYUFCUWVLTGGD-IMTBSYHQSA-N 560.296 7.842 50 10 KKGE COC[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206396330 VOBGYEAQPOBWST-OLZOCXBDSA-N 556.314 6.212 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(C)c(I)c2)s1 2217865031 AUISCVMRMGUUAK-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE Cc1nn(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2225616663 HYMAEWZNRZYAKQ-LLVKDONJSA-N 519.832 5.639 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)cc1C 2227714024 OLNCGMVIVSSEPB-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)s1 2233036713 YYYKXWDMQWWEHP-CYBMUJFWSA-N 547.932 7.056 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1c(Cl)cccc1Cl 2233975992 MYSQBKXSZPCTAW-VIFPVBQESA-N 505.834 7.336 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1ccccc1OCc1ccccc1 2234067605 NNGRAZQYWXTVRK-UHFFFAOYSA-N 506.625 6.868 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)cc1I 2235615214 PDZZTSXOFFFOCC-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1c(F)cccc1I 2267662477 DEWSKGNNOJXQTN-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272838981 CLIDBEKDIAEXRW-SECBINFHSA-N 539.859 7.107 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 2293198312 SJCASVRFBODCGU-VWLOTQADSA-N 502.039 5.434 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198424 NVPXHUUZKUUNFB-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1 2295459694 OAVPJGMGWRGZAE-UHFFFAOYSA-N 555.384 6.154 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2297462569 JBHOAAOEPWJYMW-UHFFFAOYSA-N 534.475 6.351 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Cl)cc1Cl 2297491151 DLGRRRYIQDQMGE-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299534442 DFQIHQJHSKBOMK-IBGZPJMESA-N 531.107 7.645 50 10 KKGE Cc1c([C@H](Br)c2sc(Cl)cc2I)c(Br)nn1C 2300950173 XBMBWUIAGCNQQE-QMMMGPOBSA-N 510.420 5.295 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521518 UBCGJHNHNFQTPF-UHFFFAOYSA-N 569.355 5.723 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313567291 IGYMALXTPXIMIX-UHFFFAOYSA-N 638.462 5.433 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2313567485 KBAFIIRWBQLRQF-UHFFFAOYSA-N 547.011 5.482 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313568481 WAHAYAHWKTZPRF-UHFFFAOYSA-N 547.011 5.482 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314451302 DIUQLBLQXGGUIE-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2314533986 VTTGITAEXSZXPK-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592522 WIROMEYWFUHHOA-LJAQVGFWSA-N 523.702 7.307 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314616779 JOJYSAWJAHJVKS-UHFFFAOYSA-N 566.654 5.825 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314617242 UKUHRZHIQKKKFS-UHFFFAOYSA-N 608.673 7.092 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314618741 SQVOPWLDCYKGKZ-UHFFFAOYSA-N 559.066 5.999 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314618920 WUGZRASKUZLCRF-NRFANRHFSA-N 529.556 5.801 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Br)c1 2314634093 LGNNJDZGKFXAPZ-DEOSSOPVSA-N 507.771 5.939 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 2314646598 FEMPJJYNKBAVBI-SFHVURJKSA-N 583.449 5.179 50 10 KKGE Clc1cc(I)c([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2316600410 FRDMBCKKBHMHPN-SECBINFHSA-N 585.324 7.210 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 2331242644 XBWMMRADXYUSRN-HXUWFJFHSA-N 503.624 5.798 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1OCCC 2331293635 JVEPWBAREQXJDT-UHFFFAOYSA-N 508.600 6.312 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2sncc2Br)c1Br 2339690883 LLMOXHFWLCWGKC-SNVBAGLBSA-N 534.893 6.232 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2358565708 NKZYKCGGORHDQJ-CGSMKXTHSA-N 509.673 6.092 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364062960 DTQHERGCTWIHGC-QMMMGPOBSA-N 552.286 5.854 50 10 KKGE Fc1cc(F)c(OCc2ccc(I)c(Br)c2)c(CBr)c1 2377286048 JCMFBAOMUREJPP-UHFFFAOYSA-N 517.933 5.806 50 10 KKGE Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2cccc(I)c2)cc1 1022240 GMAQJVCVTMPFOK-OVCQRUIESA-N 507.331 5.274 50 10 KKGE CCO[C@H](CN1CCN(C(=O)c2ccccc2SSc2ccccc2C(=O)N2CCN(C[C@H](OCC)c3ccccc3)CC2)CC1)c1ccccc1 29479443 PGPIBOORMOZQCX-MAZIBIHTSA-N 739.020 7.557 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3cccc([N+](=O)[O-])c3)c2C(=O)OCC)cc1 33346623 BSVDFPAPNRKRIG-CPNJWEJPSA-N 505.552 5.834 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608550 GJYZIAZXVGYGIJ-WYMPLXKRSA-N 522.557 5.104 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38659958 PWPIHRQHDXSJQL-KWMCUTETSA-N 514.578 5.418 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38684517 VFRCDIVHVNQZDN-XMMPIXPASA-N 503.352 5.451 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38685479 QUZOEZDDIZZJLP-PMERELPUSA-N 512.606 6.075 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OC)cc3OC)c(C)c2c1 38688458 CFGKADQHORRUNH-MHZLTWQESA-N 510.546 5.758 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 40961721 UYGAHHMXGMNMTO-KKMKTNMSSA-N 509.842 6.477 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 58895454 SUZPOOHDSQNNDU-VNIQIGACSA-N 511.416 5.391 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)ccc1OC(C)C 97914784 NBSYHXOLCIORFV-VUDGLICPSA-N 519.057 5.625 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080025 DIVIYCIKFLOJDX-UHFFFAOYSA-N 553.295 5.340 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2cc(Cl)cc(Cl)c2)o1 101036781 MUSVGNJTSQMCJB-VWLOTQADSA-N 571.514 8.635 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242326 WBGRNXXCVTZBQR-XKCZREFCSA-N 528.417 5.338 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101336447 PLAIUCCWLUVSKI-IYAOEYEUSA-N 527.584 5.050 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OCC 101373585 NGCHNIQIYNCBFJ-YMZMCOLGSA-N 531.008 6.364 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OCC 101373597 XMEBXTVTQYTKGD-LVPXNJDFSA-N 531.008 6.364 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379334 KAYBIDLFJCDMOR-YTTGMZPUSA-N 567.041 6.684 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380350 CJBTUWCRTFVZJQ-MGBGTMOVSA-N 578.640 7.411 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380626 QUUFIHXRRUGGGE-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1 101383877 PVCPANUOQMOCAR-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385022 YYNXVVBVQVSIGM-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385641 FBGQANWEZCGLAW-ISYDNLPHSA-N 579.052 7.073 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389147 HQCKQQZVGPCIAY-LUWBXXKHSA-N 622.693 7.518 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)oc2cc(Br)ccc12 101391854 PWXDVAAWKKUFTO-HSZRJFAPSA-N 546.333 5.849 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6ccccc6c5Cl)ccc43)cc2)cc1 101397377 ZRKHFKWCKOLASK-GDLZYMKVSA-N 579.077 7.880 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613437 AIIUNGYFIAAKKC-IWBSIUBASA-N 532.427 7.285 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2c(Cl)ccc(Cl)c2Cl)c1 102016148 HJWOLEOXHSMQBN-LUOAPIJWSA-N 519.841 6.345 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)ccc1OCc1ccccc1 102390788 OXWQAHXUZRWYLR-LUPSEXQWSA-N 585.726 6.059 50 10 KKGE CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Br)cc2)/C(=C\c2ccc(Br)cc2)C1 102429519 OOSZTDJGFNVZTJ-CJBPROBKSA-N 527.260 5.692 50 10 KKGE CCOC(=O)c1c(N/N=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)sc(SC#N)c1-c1ccccc1 102949614 QXIKQACLGQGHIN-TWKHWXDSSA-N 557.579 6.374 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C(c1ccccc1)c1ccccc1 103729189 COPBZYVKDIDDJO-HNSNBQBZSA-N 523.408 5.476 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 103878471 QJZZKEXXIFDZSO-ZSNJKBEMSA-N 594.067 7.156 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(F)c1 103884236 REOPEKAGTWPEBI-XQNSMLJCSA-N 564.455 5.822 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)N(C/C=C/c2ccccc2)c2ccccc21 104988373 FYEKPLSDGURXMI-IYSPGJCXSA-N 599.754 7.626 50 10 KKGE CCC[C@@H](Br)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920688 HNLMHAUNUCSDSQ-JZBDPCPVSA-N 549.678 9.503 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1Cl 150460181 BCDSNINOJRCDFD-MGBGTMOVSA-N 694.011 9.241 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 150485990 WSYZIBYVMKZLEK-LJAQVGFWSA-N 637.585 9.003 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497486 AZULVVDSZNYLSY-SEBMTOOBSA-N 644.706 8.203 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497496 KCHFOEMYBJJTJW-QLQYKETESA-N 670.725 7.793 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1 164646783 WXTBSEHXACMFTB-KKMKTNMSSA-N 654.096 6.905 50 10 KKGE O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 195776094 WDDPHKQHLUAHDL-QNEJGDQOSA-N 632.569 6.254 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214386324 NTWWJCSZSRSZJC-NTFVMDSBSA-N 572.621 5.848 50 10 KKGE COc1cc(C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)ccc1OCc1cccc(Br)c1 252607847 HFKKYYPKFYBDSB-UHFFFAOYSA-N 624.329 7.142 50 10 KKGE CC(=NNC(=O)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 254294713 SJUJOTMHVBQLLO-UHFFFAOYSA-N 529.505 5.198 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 254527235 VAQXCOCWKKPTMD-UHFFFAOYSA-N 502.574 6.518 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 254740991 QSVRXCKHHHYCHZ-UHFFFAOYSA-N 551.728 6.572 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254741982 HYSWQDHDFZBLFY-UHFFFAOYSA-N 605.764 7.062 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3cc(Cl)c(Cl)cc3nc12 256020026 SHRKUBGQSWSJGA-MWIVQECBSA-N 579.366 7.386 50 10 KKGE COC(=O)CCC/C=C/C[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2CCCCO2)C[C@H]1O 256874627 NNCUXEYCPYHOSU-VMWOITDOSA-N 594.865 5.761 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 504198777 VWNXEDLLHIFAOL-KEDRMCAUSA-N 964.186 10.305 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 719585269 VDJMAJZCXNZAMS-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)o2)cc1 725414964 UMEVSVZBHIWAQS-UHFFFAOYSA-N 573.671 5.592 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1 1083891780 XTHBXTJILDHCPW-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cc2cc(Br)ccc2o1 1083910169 PPIGXELZCRVMEE-UHFFFAOYSA-N 516.971 5.190 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1F 1084165150 YSNOMVAIAHJPGK-UHFFFAOYSA-N 560.470 6.028 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084169139 KJQGDBWAYODZLQ-XMMPIXPASA-N 657.332 6.548 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc([N+](=O)[O-])cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084180792 KWAOBENWCNUMPB-YIIWZEITSA-N 570.671 5.982 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 1084210043 QCTUUBLLZYDDTF-RUZDIDTESA-N 615.322 6.025 50 10 KKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(Cl)cc1 1084241099 LQZYQHCOVTXOFJ-UHFFFAOYSA-N 510.613 5.937 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1084296142 FKACFWRDTKYXTM-UHFFFAOYSA-N 554.477 8.102 50 10 KKGE C=CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084376609 YLDITIHLKVQPRN-UHFFFAOYSA-N 528.656 7.189 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl 1084449870 DKYHPFILRVKLEQ-CIAFOILYSA-N 539.857 7.243 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084459894 FRCJZXYSZOXWHP-AREMUKBSSA-N 525.045 5.989 50 10 KKGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccccc1 1084462712 GTCRPTWGVNXTON-UHFFFAOYSA-N 568.621 5.767 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2F)cc1 1084586706 SASDWGJEOKMGAV-UHFFFAOYSA-N 503.577 6.935 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084647791 ZFWPGGRRXTVKCK-LJQANCHMSA-N 599.544 6.494 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084657397 HWKPXRJLSRZGIR-DJKKODMXSA-N 695.182 7.687 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653261 BNNBVQFTDPZLMB-VXFDCLNWSA-N 518.038 5.652 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1O 1865682240 JODNTIVAZGFNEX-JOCHJYFZSA-N 515.367 5.234 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683001 CQNLZKSZAVEUIM-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684722 WNXBACMBXHJVST-JOCHJYFZSA-N 545.393 5.243 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687545 UNMZSXSCHXHROM-QHCPKHFHSA-N 519.388 6.087 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691422 RLRCBFPIJHUOSE-AREMUKBSSA-N 507.034 6.079 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865693929 SALILQDGVULXJY-DEOSSOPVSA-N 528.996 5.827 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695296 NGBYMOUPHQAHHX-MHZLTWQESA-N 527.024 6.284 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865703986 KDECFLMATQRGQU-MUUNZHRXSA-N 562.029 6.393 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704671 BJOROXBBDDYQJJ-NDEPHWFRSA-N 542.570 6.175 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711634 DFGQNWHOOJVLQU-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711976 MWEWHVXYHNOMCY-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712783 HUVAGRAGVUMDKO-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)c2ccccc2)cc1 1867005280 KSUYKRMARYJUJO-UIOOFZCWSA-N 504.055 6.683 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 1867026988 PUGRNUBNKCZCKM-FTJBHMTQSA-N 583.739 5.679 50 10 KKGE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218326 AMCAPSLTBUKSRP-RPWUZVMVSA-N 521.614 5.472 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H]1c1ccc(F)cc1 1868207876 RGWWSRZWTDTXAM-AREMUKBSSA-N 510.642 6.016 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872790412 GPXSBRGQMIVUPZ-VGOFMYFVSA-N 506.219 6.504 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915127474 RXURUKBOVMCFEB-NSHDSACASA-N 510.089 6.089 50 10 KKGE O=C(c1ccc(Br)cc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313935 PYUKWAWDTSWPNN-SFHVURJKSA-N 516.071 6.028 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(I)cc1 1923047432 BIUYIXHBYSNPTK-QMMMGPOBSA-N 571.297 7.015 50 10 KKGE COc1ccc(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924600484 QPSYOFZDQVXPQA-SECBINFHSA-N 554.323 7.182 50 10 KKGE CC(C)C[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924604624 FQLXNILJUNRJEM-BHNWBGBOSA-N 509.927 7.154 50 10 KKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605512 SIFARYORPRDXDZ-INEUFUBQSA-N 537.859 7.450 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CCl)c1)Cc1ccccc1 1946828006 UBNIAEJPTAYYOO-UHFFFAOYSA-N 521.908 5.511 50 10 KKGE Cl[C@@H](c1cc(Br)sn1)c1c(Br)sc(Br)c1Br 1983290978 OPNFIWKHZXMRGG-LURJTMIESA-N 531.314 6.583 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)cc1Br 2007643249 DYIJKLRJKGXLIR-LLVKDONJSA-N 507.416 5.909 50 10 KKGE COC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025780864 YEONTIRABQMSBA-SNVBAGLBSA-N 512.261 6.196 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Cl)cccc2Br)c1Br 2050316990 AYRWCIBVGWVCGU-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE ClC1CCC(N=CC2CCC(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)CC1 2053611362 IYQAFZFHCBDKKQ-UHFFFAOYSA-N 503.070 7.344 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(I)sn1 2056486594 CEOVHJYEVCCKMY-GFCCVEGCSA-N 502.997 5.393 50 10 KKGE CC(C)(C)P(c1ccccc1[C@H](CP(c1ccccc1)c1ccccc1)N[S@@](=O)C(C)(C)C)C(C)(C)C 2080761929 CKKFSFPWOJTMTK-AIJWEMPKSA-N 553.733 7.617 50 10 KKGE COC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085495721 SBPKDDLWBHWMEW-LLVKDONJSA-N 526.288 6.586 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 2107098306 HYSODVUBOOTDPP-SECBINFHSA-N 554.323 7.182 50 10 KKGE O=C1Cc2cc([C@H](Cl)c3csc(Br)c3Br)c(Br)cc2N1 2150344777 SEGPUVKKBJJIOE-LBPRGKRZSA-N 500.437 5.858 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)cc(Br)c2)c1Br 2201079312 RQEDYSXBRLKVEE-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)cc1I 2217864988 AAPLDDXGQCVRNW-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277959747 WHYCNZDDSSSFND-AWEZNQCLSA-N 511.877 6.961 50 10 KKGE Brc1cc2sc([C@H](Br)c3cccc(Br)c3Br)cc2s1 2278030580 SRLJGAXWWRUJON-CYBMUJFWSA-N 545.941 7.735 50 10 KKGE Cc1ccc(-c2ccc(C=NNC(=O)C(=CC=Cc3ccccc3)NC(=O)c3ccccc3)o2)cc1Cl 2297453581 NQFDAHBUFPMQPN-UHFFFAOYSA-N 509.993 6.386 50 10 KKGE O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)NN=CC=Cc1ccccc1 2297549104 BSQIMZNSYDITGR-UHFFFAOYSA-N 619.244 6.209 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1F 2313567337 JBRGAFMWDCVOFI-UHFFFAOYSA-N 611.455 5.664 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 2313571365 UOOAWXFKRIFKKD-UHFFFAOYSA-N 576.307 8.552 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593273 KTJXZYYYAVCYHX-BXKMTCNYSA-N 552.483 6.306 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314619899 GZRNGGREAFXFTH-UHFFFAOYSA-N 563.437 6.382 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Cl)cc2I)c1Br 2317772870 HTKWJQQPBXBZCH-JTQLQIEISA-N 540.873 7.168 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2317776005 SCTALBKNVXBJHE-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 2331376279 QKFUMNOAQYZMIB-JOCHJYFZSA-N 519.648 5.646 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(OC)c1 2331386986 LINPJOOUEKJGCG-UHFFFAOYSA-N 513.531 5.166 50 10 KKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OCC 2331437882 QMPZZXILFYFKIA-UHFFFAOYSA-N 520.695 8.029 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OC(=O)c1ccccc1 2331474835 NIVXXBYOLBHYGE-UHFFFAOYSA-N 517.006 7.073 50 10 KKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336612549 GLFWZFPVNWCHSU-ZYHUDNBSSA-N 592.736 7.854 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1I 2338027345 VXGYFDYPRQRPJN-CQSZACIVSA-N 578.933 7.315 50 10 KKGE ClCc1ccc(OCc2cc(I)ccc2Br)cc1Br 2341781509 VXOFXDJMILGLNE-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE C[C@@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 2349842012 VXFWZUOVLQCQRY-NEPJUHHUSA-N 511.945 5.950 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1Br 2358265490 UNBBFHIKYFRIMI-DOLQZWNJSA-N 594.805 7.999 50 10 KKGE Fc1cccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360409956 YGNOIYQEVJQFMM-NSHDSACASA-N 512.346 6.967 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)ccc1Br 2360432275 CJRQEQDGZHTRSB-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1C[C@H](Br)C12CCCCC2 2367599001 AIQMZGGNSCBIAY-LSDHHAIUSA-N 514.039 6.057 50 10 KKGE C[C@@H](Br)CN(C(=O)c1cc(Br)ccc1I)C1CCCC1 2368846182 QMFWSEVVJAZZPN-SNVBAGLBSA-N 515.027 5.222 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1COc1cc(C)c(Cl)c(C)c1 1949505 ODJIDZSMNPOUGW-UVHMKAGCSA-N 501.808 6.071 50 10 KKGE O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)C(O)(c1ccccc1)c1ccccc1 9908264 SYXBURJKSZVIBY-ACDDCSIASA-N 500.558 6.347 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 29491579 MSGUUIKIFQGCNB-ANYBSYGZSA-N 606.686 6.462 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 33353765 VXAIIQJXMISWCC-CERXKKLBSA-N 632.352 7.196 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 38650854 BJEVKAPEOANQGT-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 38683780 LSUWQRCTOOLCKA-SANMLTNESA-N 504.970 5.965 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38686037 KEMNJBBHKZQIPD-MUUNZHRXSA-N 502.542 5.597 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc2ccccc12 38688534 VKVHKOSMGXKIHD-VWLOTQADSA-N 508.986 7.145 50 10 KKGE Cc1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 59427665 IATBXLNUYYXNDH-RUMWWMSVSA-N 500.558 6.792 50 10 KKGE O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1Br 97956061 APNRKRHZYDHBDA-QVKATGLSSA-N 523.434 6.569 50 10 KKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100261272 RWTWJUKMNILMHR-RDTXWAMCSA-N 542.268 5.109 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 100919892 JPPLMICYJUEATM-OQKWZONESA-N 552.637 6.034 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCCC1 101013276 LMQKBZDRLWQRFX-CLCOLTQESA-N 543.693 5.070 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245248 ZCPPMFSJFSUVJZ-RAMZYJDASA-N 562.489 6.221 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101338094 WSCNQASYDVCRAZ-TWKHWXDSSA-N 556.666 6.470 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 101375201 XUYMNRMMLXWPEF-HKBQPEDESA-N 542.632 5.885 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101376830 SXSUBEZMJWOHCZ-SANMLTNESA-N 553.442 7.008 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 101377704 HYRXJAZRKJKMLB-PMERELPUSA-N 530.596 6.377 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381698 VDXIXCBWBSMIRZ-WRGVRERRSA-N 536.559 5.996 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5cccc6ccccc56)ccc43)c2)cc1 101382269 AITMMXRAZRHCDN-PGUFJCEWSA-N 552.630 7.094 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383916 FEMZHUZUINILIR-ULKXQASOSA-N 578.640 7.119 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101387045 OLIBPBZFZCCRJM-WJOKGBTCSA-N 597.555 5.524 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387854 BGJBXEJSLWKFRW-DHUJRADRSA-N 604.703 7.445 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1Cl 101399130 KCSNOQJMTWECSI-WJOKGBTCSA-N 607.018 6.471 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)c(OC)c3)c(C)c2c1 101399196 LMGUBUHHZHBTRK-XIFFEERXSA-N 621.089 7.982 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 101611608 HMOQZLWWBKMBJN-GZZLJNBRSA-N 544.007 6.522 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612142 CLGBZJFJPQWUMZ-RDRPBHBLSA-N 565.251 6.145 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741980 NMRFFLFZUNHNFY-GPSDDGMOSA-N 597.332 5.954 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 103742990 DAWKPGXEJQNHOX-GUNDDFSMSA-N 532.463 6.131 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC 103890531 XSMWAAGMFJSOSG-GHXNOFRVSA-N 517.150 5.551 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]1[C@H](c1ccc(Cl)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 104369685 RNHGEENJOGFIAY-ACRUOGEOSA-N 526.759 5.342 50 10 KKGE O=C(N/N=C/c1ccc(C(F)(F)F)cc1)C1=NO[C@@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1 150357368 BJPIGQCNFFVNGY-SFHWFSFNSA-N 695.017 5.310 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 150425829 DIVZWWUVNOURCW-SLLOZXFSSA-N 637.312 5.995 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 150431891 OOQPFRUPTRQTEN-DNXMXBSFSA-N 646.478 5.360 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150470529 YRFJAHRKSRZHOE-NRFANRHFSA-N 656.733 7.730 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1 158076509 ZBHZFJHURLGLJU-ODLFYWEKSA-N 650.254 6.419 50 10 KKGE O=C(CCN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 211918302 HRUBOTDVUQPGPM-SFQUDFHCSA-N 523.105 5.218 50 10 KKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 233865330 WQKSNUQGXVPNTN-PIGZYNQJSA-N 508.035 7.052 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)cc1F 235920447 YRAZOFAEMCDXRX-CQSZACIVSA-N 501.934 6.125 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc(-c4ccc(CC)cc4)nc4ccccc34)o2)cc1 252616657 KCXZIOZHEBRAFW-UHFFFAOYSA-N 517.585 6.665 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254491422 QYPVUKTXIRAZSZ-UHFFFAOYSA-N 515.639 5.188 50 10 KKGE O=C(CCCCCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254518710 PCMGMWIUGOSVEJ-UHFFFAOYSA-N 576.697 6.396 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254616130 CHAGZOXVLAVILF-UHFFFAOYSA-N 543.649 5.181 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)cc1 254798268 OAACIMGYZKBBGN-HJGSIEQUSA-N 582.664 6.948 50 10 KKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1O 254871043 NREHLIBIPXSOFD-UHFFFAOYSA-N 506.678 5.660 50 10 KKGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)O/N=C2\C[C@H]4CC[C@@]2(C)[C@@]4(C)CBr)CC[C@@]3(C)C1(C)C 256019965 OXOFNMIKPGLQKR-ZSRHLIHKSA-N 538.530 6.696 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232589 OYSKUZDIHNKWLV-QFEFOVOXSA-N 663.406 6.422 50 10 KKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1cccc(Br)c1 719439753 NAOZTXOQGHEQHK-INIZCTEOSA-N 519.115 6.720 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721587914 MRAWZOVOPZAAFA-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 725422757 HIGRUDXMTBIWDC-AREMUKBSSA-N 521.455 6.029 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1)S(=O)(=O)c1ccccc1 1084007578 ZOGQJACIWMJPFJ-UHFFFAOYSA-N 645.612 7.869 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1C 1084027275 VTHZXHOEZPUQDG-UHFFFAOYSA-N 532.438 6.290 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4C)cc3[C@@H]3C=CC[C@H]32)cc1 1565518707 JCGLPCDWHRQOIB-JFPMUIDKSA-N 539.701 6.382 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 1772754009 LGZAXLHYXVWVDU-UHFFFAOYSA-N 581.551 7.280 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865680363 IMDCEQVHLCMFCP-QFIPXVFZSA-N 505.361 5.535 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682026 DFSLRXZRRQSAGA-DEOSSOPVSA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684743 XDJXBWXYDFHDOW-QHCPKHFHSA-N 514.969 5.193 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865690903 DTFVQXSGEOZSSF-QFIPXVFZSA-N 553.457 5.747 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865692372 LRKMEVDCBZOHAQ-JOCHJYFZSA-N 509.404 5.349 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865692735 PAUGIBRWRRXVHK-OAQYLSRUSA-N 517.468 5.660 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865693663 PVNHACLTLBKHFJ-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865694956 GPUONPGKSOHUJQ-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865695001 HPKFQAKHPIRISY-NDEPHWFRSA-N 520.633 6.644 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865696744 QTUDFYWBRBCQGD-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865696767 KDKHMMWSSHVRMI-FQEVSTJZSA-N 518.923 5.950 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865701970 JNBCOKUJHUKVKS-AREMUKBSSA-N 526.040 6.266 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702581 BQGJLZJHFUMDMH-VWLOTQADSA-N 551.861 7.192 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705298 QSAHOXHKGVPTCM-JOCHJYFZSA-N 534.469 5.527 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712191 RSRPXWXZLABCDJ-SSEXGKCCSA-N 512.613 6.775 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712339 WAMLURFWYVZRJK-LJAQVGFWSA-N 520.633 6.232 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866719513 GVSKHKARCDOABI-KAYWLYCHSA-N 515.704 6.200 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780837 ODCWLBMDKWVYBO-URLMMPGGSA-N 559.613 6.565 50 10 KKGE CC/C(=C\C(=O)N[C@H](CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115094 VLGLACAMHNWDRK-IZLCOFNUSA-N 502.434 5.358 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C1 1868300893 JULWWLFUTHMMPT-NRFANRHFSA-N 507.663 7.498 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 1872746256 ZSWPIQPPGWSHOE-IUXHBZJFSA-N 508.397 5.917 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3C2=O)c1C 1872748076 HLBBLINMIGXDIK-LVWGJNHUSA-N 511.990 6.831 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)cc2C1=O 1872758338 VYVNGMXNSIMQHM-FLFQWRMESA-N 503.580 5.018 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872758964 YPFYXTXOXYAOAR-GKYQZKGUSA-N 507.999 5.976 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2csc(I)c2)s1 1922920136 CXLVZCIKNFNSSP-QMMMGPOBSA-N 542.881 6.424 50 10 KKGE O=S1(=O)CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068483 SBHJPEPQMUBSRD-ZETCQYMHSA-N 501.487 5.187 50 10 KKGE Cc1ccc(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924584766 CDFDPLYNYKOOLC-JTQLQIEISA-N 517.906 7.137 50 10 KKGE FC(F)(F)c1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cs1 1924615279 YSGOQILQAKNYCY-ZETCQYMHSA-N 519.427 7.444 50 10 KKGE FC1(F)[C@H]2C[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]21 1924616491 PHMZCWOULCLYRV-GCJQMDKQSA-N 543.891 7.153 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)c1Cl 1925549400 UXMISTYYRVKAHV-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2sncc2Br)c1Br 2024282724 LRYMHUNGWDWVDR-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2030222044 PVLNTGFMALOKGJ-CYBMUJFWSA-N 520.455 6.815 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053612777 NXUMXIWYVRKXMF-USYZEHPZSA-N 598.647 7.928 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 2141469476 AUTANRWMKOGRQM-HHSDFAELSA-N 583.782 6.561 50 10 KKGE CCCOc1ccc([C@@H](Cl)c2csc(Br)c2Br)cc1Br 2150344909 WGMINFCBXLSJQV-CYBMUJFWSA-N 503.481 7.153 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2202363814 ICSWQOZLSPKBFG-CQSZACIVSA-N 548.294 7.120 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)s1 2221821260 YXSLVQJYOPMTML-LLVKDONJSA-N 521.869 6.967 50 10 KKGE CCCCCCc1ccc([C@H](Br)c2csc(Br)c2Br)s1 2234131207 STGYWZVFKSEDLR-CYBMUJFWSA-N 501.147 7.942 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c(C)c1Br 2235607901 HVBBKHLSFWZPIH-AWEZNQCLSA-N 525.904 7.270 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1C 2236013193 VSLHZSRAYLPFRJ-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE COc1ccc([C@H](Cl)c2scc(Br)c2Br)cc1I 2257371457 BDKWIKOFTXFFEM-NSHDSACASA-N 522.427 6.215 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)c(C)c1Br 2264609987 QLVRIJIGNBGRMO-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2267663668 QUKUTHDKAYSBLQ-CYBMUJFWSA-N 516.011 6.616 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2293189824 NMTLAINIRRRCBU-UHFFFAOYSA-N 524.827 6.955 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(CC)cc3)N(c3ccccc3)C2=O)cc1 2296506905 KRZFPNQAJZXFMC-AREMUKBSSA-N 525.630 5.491 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 2313567683 MIUNGUUNRXQURE-UHFFFAOYSA-N 543.053 5.548 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 2313567842 MBSNQCMZZACLDG-UHFFFAOYSA-N 519.342 5.596 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(F)c1 2313568756 WTSQWYTUATUSLU-UHFFFAOYSA-N 509.375 6.420 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl 2313631213 MGMWDFOSMOJZKC-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314453563 XUJORHHNHZJMEO-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@H](CC)C2 2314571767 LQUJXMUKJUYITQ-HNNXBMFYSA-N 554.024 6.807 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314594025 XPDCMOUSFRGXTL-AYWVHJORSA-N 537.729 6.950 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C(C)=C(C#N)C2=O)cc1OC 2314616696 HPHOHODQCYEPEB-UHFFFAOYSA-N 630.745 6.735 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314617122 RAPSJFLOJWMJTF-UHFFFAOYSA-N 558.638 6.128 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314620156 KTOBFBNKOSLGOB-UHFFFAOYSA-N 600.675 5.972 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314646920 USZLRIATJVJMDS-MUUNZHRXSA-N 648.741 5.172 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 2314737221 SCJHINFPZQZKRW-UHFFFAOYSA-N 518.569 5.570 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1OC 2314753978 HPXMCCMMAYXGAP-UHFFFAOYSA-N 591.686 7.322 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccs1 2321665942 RRAPSMPLELDEBN-UHFFFAOYSA-N 513.022 6.597 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331025557 NFXAJWRSTRRRLN-UHFFFAOYSA-N 501.822 7.908 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 2331381194 UWHXBXJVEFCCDT-LLVKDONJSA-N 511.814 7.048 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c(Br)c1 2331402070 LDMCFTVANCTMPA-UHFFFAOYSA-N 509.878 7.502 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCc1ccccc1 2331474372 BODPOESFXVFJRL-UHFFFAOYSA-N 517.050 7.822 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 2331478281 DVNBTXBJZDZZFZ-UHFFFAOYSA-N 522.714 8.766 50 10 KKGE COc1ccc(C[C@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1 2364261554 RCAXZERNCRTQDP-NSHDSACASA-N 547.932 7.031 50 10 KKGE CCN(C[C@](C)(CI)OCc1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2368207017 ISWJWULUJCWAOI-IBGZPJMESA-N 557.267 5.128 50 10 KKGE COc1cc(CBr)cc(Br)c1OCc1sc(Cl)cc1Br 2372273335 LTIXAKXOZVJSSV-UHFFFAOYSA-N 505.453 6.409 50 10 KKGE Brc1cc(CN2CC[C@@H]3[C@H](Br)CCC[C@H]3C2)ccc1I 2377353119 FUKQEXWNNNLQDI-MELADBBJSA-N 513.055 5.439 50 10 KKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14038621 HLXKMFONQGNNHO-GOSISDBHSA-N 519.395 5.263 50 10 KKGE C/C(=N\NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccccc1OC(C)C 20550018 ISUHPVPFAGUOIK-OCSSWDANSA-N 518.411 6.311 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCOCC3)cc2)cc1 33383233 NRGACVNLFNEAGN-XHPQRKPJSA-N 504.590 5.193 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)cc1 38683896 ZXSHSALIFCYEKQ-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 38686373 SAEVLTXCWISTOB-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 40816354 HLWQUVQEENHULB-VUTHCHCSSA-N 500.382 5.691 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825930 UZHUKDJXLLDULS-WEMUVCOSSA-N 510.550 5.036 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 40870077 SCJHINFPZQZKRW-OVVQPSECSA-N 518.569 5.570 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2c(c1)OCO2 58895143 NNCKAZYOXPDLAZ-KJTWNORHSA-N 516.594 5.085 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1 59201355 PIPHBZXQGQYRKU-HYARGMPZSA-N 505.412 6.589 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100050891 VWIAILIFDZPORD-UHFFFAOYSA-N 550.247 5.093 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182002 KVNDOMUOFIZHCA-UHFFFAOYSA-N 597.535 5.384 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1 100237374 VQTDOKLVCVXOPH-LCVHJTKWSA-N 622.887 5.895 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1C#N 100238378 YNJCABNICMAQGR-VJHYESNCSA-N 541.648 5.627 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1 100312286 KCONIMCPSLNVJW-NYFJFQCHSA-N 537.454 5.729 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245207 SWRZGZACGOBEJU-RAMZYJDASA-N 518.038 6.112 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101246542 MEAGWLVGGCEBDX-LVVXZCGBSA-N 532.065 6.537 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 101336456 TVFSSUUIXZYTTM-JVWAILMASA-N 529.600 5.434 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101339462 PPIXAHFLLAGPRE-NRXPLXKSSA-N 540.623 5.964 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101339829 UKCWEKNQZGXFSL-WYMPLXKRSA-N 540.547 5.325 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101340660 YZHZCKVHJXXDHU-WYMPLXKRSA-N 565.428 6.903 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101367831 IBDOPUOSQIJOIL-WENCNXQZSA-N 542.632 6.028 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5[N+](=O)[O-])ccc43)cc2)cc1 101378629 MWLSEILOBGJSEF-LJAQVGFWSA-N 533.540 5.920 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386918 LLZUZUGTJZMSIK-WJOKGBTCSA-N 571.004 6.433 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1 101392961 AYCTWXGNKKKGQW-XIFFEERXSA-N 586.644 7.383 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)oc2c1C 101394137 TWAGDJCUBXQLAL-DEOSSOPVSA-N 529.390 6.558 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccc(F)cc12 101398850 BGZFOIXOCBHUCU-PMERELPUSA-N 564.544 7.036 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(C)c1 101727181 YVFZOIXMUMTXNJ-FJEPWZHXSA-N 596.572 7.101 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 103741342 UGWJYIFRDDCDFS-VECHRTTRSA-N 556.009 6.144 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc(Br)c1 103748012 GUBIWUFWEXLZSC-AMVVHIIESA-N 558.310 7.086 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OC 103797566 DQIUUNLXHPUNNV-HNSNBQBZSA-N 586.486 6.259 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 103879187 UNJOFEQLMWDMJF-VFLNYLIXSA-N 616.262 6.398 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1C#N 103880895 ZDRKIDFYGQQWSP-WKULSOCRSA-N 565.367 5.651 50 10 KKGE Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1 103883246 CMFADGDQXYEAGO-JJIBRWJFSA-N 563.439 5.434 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 103887356 FJPWYVRPKBZCCZ-NVNXTCNLSA-N 522.193 5.008 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(C)cc4)cc3[C@@H]3C=CC[C@H]32)cc1 135836217 CLIJEBWEOAONFS-NFHABHTFSA-N 539.701 6.382 50 10 KKGE CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 145726872 ZIFSFLGSUTZFCP-PXQVITMLSA-N 592.759 5.435 50 10 KKGE in-vitro COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)cc1 150455277 XTKKWNQFNYFKFG-PNAQCXJZSA-N 648.741 5.252 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1ccccc1Cl 150630774 GOTWBKOUXWLLMT-MFOYZWKCSA-N 682.696 7.139 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2ccccc2o1 163806962 OQAZVGJUFRWHOK-RPPGKUMJSA-N 620.197 6.051 50 10 KKGE CCOC(=O)c1ccc2c(c1)nc(Nc1nn(COCC[Si](C)(C)C)c3ccc(Br)cc13)n2C1CCC(O[Si](C)(C)C(C)(C)C)CC1 203957915 XDFSDRPZBGYGQH-UHFFFAOYSA-N 742.908 9.887 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 205666894 BESUREJESSVFDN-BUYOYUATSA-N 574.652 7.539 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214364255 XVTGUCDDUXDFAL-COEJQBHMSA-N 562.714 7.198 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214368511 XYJMSWWYFJXLPL-USHMODERSA-N 574.637 5.400 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214385190 ZHAFBZHKYBXSOH-MWLSYYOVSA-N 586.648 6.095 50 10 KKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(Br)c1 234994345 KTJGOSMQZGNGIA-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254381645 YINXCGRMRKXEDB-UHFFFAOYSA-N 513.667 5.873 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(SC)cc3)n2-c2ccc(C)cc2)cc1 254386242 VWQXCGAWVFCVBL-UHFFFAOYSA-N 503.653 5.216 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254625367 XNCMKEDVPBPLJN-UHFFFAOYSA-N 549.700 6.636 50 10 KKGE C[C@@H](C(=O)NN=Cc1c(Cl)cccc1Cl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 254751502 MAFXIORBFPOERM-VIFPVBQESA-N 525.240 5.396 50 10 KKGE ClCc1ccncc1Oc1c(I)cc(Cl)cc1I 310721838 IUUZQSYNHCBKNA-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 312719253 GIJQIPFGAYHISR-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1F 398585360 NFDLVOZMBSKIQH-NSHDSACASA-N 537.793 6.876 50 10 KKGE CC1(C)COC2(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N[C@H](CO)c4ccccc4)[C@H]3C2)OC1 504014615 RFODHSIIJZKRDJ-OSFFKXSWSA-N 503.756 5.042 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C 504093912 SPHUIJWPZSWHEE-QXRRPROESA-N 510.923 10.671 50 10 KKGE CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H]2C1)[C@H](CCl)C[C@H]1[C@@]3(C)CC[C@H]2[C@]1(C)C[C@H](O)[C@H](O)[C@]2(C)C(=O)O 575167660 CWHJIJJSDGEHNS-FXLMWZKNSA-N 537.137 5.488 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591386 YUZLCBDCWPRCMA-VIMUGICBSA-N 620.771 6.056 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Br)cc1 1083916587 MESKAXVLLJEUIX-NHFJDJAPSA-N 586.530 6.411 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1Cl 1084015462 LNOSDKFJTLJIEO-MUUNZHRXSA-N 551.083 6.409 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084068969 ZGZRCVXEXNVBSI-UHFFFAOYSA-N 656.160 7.245 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccccc3C#N)c3ccccc23)cc1 1084216001 DHDSFBRQICDUAI-UHFFFAOYSA-N 533.635 7.091 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 1084334369 RJIJGLJAAWRDGD-VXLYETTFSA-N 586.269 7.338 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084354908 IMTOILVWDMFLEA-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084428829 CHIPDEQBZAYQPS-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1Cl 1084448220 SGZMOODIVKQWCM-VCHYOVAHSA-N 527.205 6.752 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084514795 RIDXFAZWJSCEFK-UHFFFAOYSA-N 559.475 5.335 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)cc1 1084619079 RSHQAJYKIAGIOW-UHFFFAOYSA-N 503.780 5.550 50 10 KKGE Cc1cccc(C(O)(C(=O)NN(C(=O)Nc2csc3c2CCCC3)c2ccccc2)c2cccc(C)c2)c1 1615950181 MIOOJHZAAYQVIU-UHFFFAOYSA-N 525.674 6.250 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)c1 1772748810 DXBCMZLZTBENFP-UHFFFAOYSA-N 508.578 5.550 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1865689656 VRNYPUVSTQUURU-HHHXNRCGSA-N 563.441 6.302 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865691902 DQPKTICIUNPFOV-JOCHJYFZSA-N 543.849 6.002 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692095 IYDMOGXBWSAOPX-XMMPIXPASA-N 544.995 5.445 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694851 DCTHSKMXPDYLLG-SANMLTNESA-N 500.961 5.830 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 1865697407 RRHFYKTUXXSHIT-OAQYLSRUSA-N 564.267 6.264 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865702911 IACWMPKOSQAHTH-XMMPIXPASA-N 527.422 6.309 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)c1OCc1cccc(C)c1 1865704887 HAVRJTJJKVANHM-NDEPHWFRSA-N 506.606 5.662 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866131938 UWVACMLSSQJFNO-LFIBNONCSA-N 574.294 6.835 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866688681 JNQSSIVQIAFWQB-VSGBNLITSA-N 506.631 5.347 50 10 KKGE CCCC[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866797944 FXWRTNRUPSTQFC-OAQYLSRUSA-N 516.461 5.689 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866866093 DOQASFZXSFYSQE-FTJBHMTQSA-N 575.785 5.655 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867026388 KKPJENBIQOGSPW-WJOKGBTCSA-N 581.713 7.108 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4cccc(Cl)c4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868413910 FYYOLHNJWPUAIA-UHFFFAOYSA-N 548.499 7.815 50 10 KKGE COc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1876919477 UCIAOFICXMYSCZ-SECBINFHSA-N 509.872 7.073 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914354429 YUEKHJZCSVGOPQ-GFCCVEGCSA-N 526.088 5.186 50 10 KKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924616005 JSAZVZPTHQYOAJ-VDTYLAMSSA-N 545.938 5.296 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1ccc(I)c(Br)c1 1925622163 PEDRDRCTPSEJEM-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE Cc1c([C@H](Br)c2sc(Br)cc2Br)nn(C)c1Br 2002831152 ZXDDXYUYTWVLOG-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2021891116 PZWXSKSTVHECGA-ZXHVRRQWSA-N 509.883 6.041 50 10 KKGE Cn1nc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1Cl 2083331816 DBRRDFGOFKCTBJ-MRVPVSSYSA-N 522.260 5.845 50 10 KKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2Br)ccc1I 2086039068 HDXZJFGCCQHCTB-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE BrCc1cc(Br)ccc1OCc1ccc(Br)cc1Br 2092267679 QWWFBZVCQHNWNF-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2092330219 GMNBDQSOGFPTBK-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCCC23CCC3)c1Br 2117007039 IZPWLWMKTGZNLD-SCZZXKLOSA-N 535.965 7.832 50 10 KKGE FC1CCC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469194 SOKNKMBQGQJWAS-HKSSTPRTSA-N 542.306 7.545 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2146630249 VOFAIRVVMXZCFZ-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1sccc1I 2215853198 CMSLDUJRSBXCNS-SECBINFHSA-N 506.428 6.447 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)c(Cl)c2)c(C)c1Br 2235604632 OMZFIYSHCIHOMQ-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCC[C@@H]2CC3)c1Br 2251092624 QMGRPTIVMOSXQI-ZIGWGHGNSA-N 507.911 7.052 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263446727 QPFHDMCUHADDLH-LBPRGKRZSA-N 517.906 7.023 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)c(Cl)c1Cl 2264607764 QHHSVMILXJIDHZ-ZETCQYMHSA-N 548.736 8.371 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(Br)c1Cl 2268258997 JBTPLEFTOJWTTA-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE Cc1c(Br)cccc1CO[C@@H](CI)c1ccc(Br)cc1 2283655966 WMYNJQSNDFJLRN-INIZCTEOSA-N 510.007 6.213 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296500547 XHBHKNMRTNDYMB-UHFFFAOYSA-N 524.827 6.955 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc2ccccc2c1 2313566808 AVVNEJJBSDAGQS-UHFFFAOYSA-N 543.667 6.412 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)nc2ccccc21 2314415127 YNVRGQZJQOYUCZ-UHFFFAOYSA-N 525.587 7.208 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314447056 YSLCKZGZAYZTLQ-NRFANRHFSA-N 572.078 7.425 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)n2)cc1 2314482432 KUCMPGYFLJQQEH-UHFFFAOYSA-N 520.661 8.702 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314571475 FRDVWJNDFSVUNS-UHFFFAOYSA-N 502.220 8.204 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591863 GJDVULSHDVFMSC-VWLOTQADSA-N 536.484 6.929 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592402 SMPXZNDYBWMOPB-AREMUKBSSA-N 565.617 6.902 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314617989 FEXQRSKRVBWOFI-UHFFFAOYSA-N 621.137 7.179 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640682 MDVFKZXYFDGNHB-HKBQPEDESA-N 569.444 7.409 50 10 KKGE N#CC(=CN(Cc1ccccc1)c1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607102 FPJJAYKPSHWTST-UHFFFAOYSA-N 512.657 6.034 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 2331278820 KAXOOVBNRMMASV-GOSISDBHSA-N 508.441 6.289 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331399372 DASDMTMULNNEDB-FPTDNZKUSA-N 507.999 5.976 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccc(C)cc1 2331417215 YAFUPVZRKCEOAV-UHFFFAOYSA-N 502.639 8.314 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1I)CCCO2 2343595202 NEOGMZQMCUWIBO-CYBMUJFWSA-N 514.020 5.925 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359121259 RYHQUGMIFLCIGG-HIHLCYOISA-N 596.777 6.988 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362225651 UVYPSLZRXILHBV-GFCCVEGCSA-N 552.834 7.245 50 10 KKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2)cc1I 2362381589 XSQCKNYTBNLUOI-ZDUSSCGKSA-N 528.453 6.503 50 10 KKGE COc1ccc(/C=N\NC(=O)CCc2c[nH]c3ccccc23)cc1COc1ccc(C(=O)OCC(C)C)cc1 33090802 FBROACMDKSQEOJ-FZPRHHONSA-N 527.621 5.651 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 38607840 XMAIIEQUBOMWOF-BUVRLJJBSA-N 527.024 6.126 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)CC1 38687903 AQZOGABUIGFPKQ-HGEUABKPSA-N 509.444 6.569 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)oc2ccc(F)cc12 38688336 UBBDXRDGFZLKLS-QHCPKHFHSA-N 509.320 6.625 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 40529996 ZKDPNFKTYBPQMP-LJAQVGFWSA-N 512.606 6.075 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 48573330 JUGXXNLVKQDMOR-BIZUNTBRSA-N 510.590 6.138 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 58891945 OBULZSVNZCXOMO-PEHSQKLVSA-N 525.418 5.860 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl 59201067 WPMSIJLIYLJVAT-YBFXNURJSA-N 515.824 7.479 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1-n1cccc1)[C@@H]2Br 100935471 QXZJWNALSJVRID-XPGWFJOJSA-N 545.113 6.102 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101303343 BOCGTQOFEQIPGZ-DCDUZGPOSA-N 540.623 6.458 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1OC 101339374 SOYQAYBCRRHEHG-BUVRLJJBSA-N 573.045 5.780 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367363 KSZMCMCYYSMSBX-PMCJRHIQSA-N 586.688 7.409 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101373730 UHNCLCUFRGFMSA-GDLZYMKVSA-N 549.023 6.039 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 101377800 DNJQZSMMYOGILO-NDEPHWFRSA-N 527.577 6.381 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383750 FYCGCSFCXRNSBC-PMERELPUSA-N 567.529 5.515 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)CC1 101398296 RKVKWISIVWAVRZ-SZQFEPLGSA-N 550.699 7.694 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603520 RJWSHVISKVURBP-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)c2nc3ccccc3s2)cc1I 101853701 MEZZUEIRODYSGZ-GHXNOFRVSA-N 558.182 5.968 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1 101906895 IWLQLWCFDNJGDJ-ZDLGFXPLSA-N 533.647 7.517 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1OCc1ccc(Br)cc1 102935021 IYBLFTARMUNACX-CPNJWEJPSA-N 522.355 5.799 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Br)cc2)C1=O 103741519 OGNORGYGGMXMBZ-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE N#C/C(=C/c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 103775010 CQKTZWIDGQDJPQ-PXNMLYILSA-N 520.795 6.945 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl 103796060 QOQREQNAUJGIJK-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 103877459 CHIPDEQBZAYQPS-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N 103878796 QMOLUFORDSWASN-BHGWPJFGSA-N 521.165 5.023 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc(Br)c1OCc1ccccc1 150413457 ZLNDOCPILHEYFX-KKMKTNMSSA-N 627.127 6.091 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc2ccccc12 164622570 ITNVJUCKCZZZRE-BKATUZMVSA-N 658.596 9.110 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214409869 UBDOOKUHJRGFTG-LJUMEUDFSA-N 574.656 6.814 50 10 KKGE C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 215973343 USBJDBWAPKNPCK-KIHHCIJBSA-N 615.270 7.570 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1Br 236226304 KEOPXOSOWIBQPE-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE COc1cc(C(=O)OC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@@]23C)cc(OC)c1OC 253532020 KHUBONOYDWHKJY-TZALREPASA-N 586.766 5.803 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(F)(F)F)[nH]1 253567590 KFWHZWOXZUUCMK-ATZGPIRCSA-N 646.744 5.018 50 10 KKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)CBr)CC[C@@]34C)[C@@H]12 254306172 AWEXTVRTNPEMJG-UQELMUHGSA-N 549.678 9.051 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc(Br)c1OCC 254443791 BBGCUBGTEQDXPS-ZDUSSCGKSA-N 508.463 5.487 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)sc2c1CCCC2 254606878 FRTQDTPDUHKRDY-UHFFFAOYSA-N 569.639 5.265 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2OC)cc1 254873487 QRWLMYCCTMCHJY-UHFFFAOYSA-N 608.651 5.434 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@H]2Br 256019325 UNKNBUABHSXHNS-VEIIVLAUSA-N 566.378 6.743 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@H]2[C@H](Cl)[C@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)O[C@H]2O 575232390 SDRWSRCEUKKHJY-NULPETKVSA-N 599.281 6.364 50 10 KKGE COCc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)s1 688086590 ONTLAHLLMFRRND-GFCCVEGCSA-N 536.454 6.352 50 10 KKGE C[C@@H](Cl)c1nc2ccccc2n1-c1cc(I)cc(I)c1 709792546 OLNIEEQNPUHMKW-SECBINFHSA-N 508.528 5.535 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(F)c1I 721705628 PJNYLIMJLQKBNS-ZDUSSCGKSA-N 517.933 5.825 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 724925841 WLNTVNMHTFTZNY-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE COc1cccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 1083940532 KLXYNOMXDJQCBZ-UHFFFAOYSA-N 538.225 6.116 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Br)cc1 1084009809 ZSTBXXBXTURVJP-UHFFFAOYSA-N 540.259 6.174 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1[N+](=O)[O-] 1084015427 WWVXNIKJDVYJGB-UHFFFAOYSA-N 569.580 5.513 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(F)cc1 1084029960 LPERVEGFVBUJQI-UHFFFAOYSA-N 587.695 8.062 50 10 KKGE COc1cc(C=NNC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084296804 PTOACWXZAVPREI-UHFFFAOYSA-N 509.187 5.502 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 1084394890 MNBKFRDAUSFYCF-UHFFFAOYSA-N 534.465 5.518 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Br)cc2)c2cc(Cl)cc(Cl)c2)cc1 1084409272 OXYOTFRIGJXZNU-UHFFFAOYSA-N 555.281 5.410 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084432750 MCXXXVHUERJGJL-UHFFFAOYSA-N 603.223 6.218 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2ccccc2c1 1084503326 JAGNOJRLJKCJCA-RGVLZGJSSA-N 512.347 5.027 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084512355 SHDYUAKBZXRJLL-HSZRJFAPSA-N 555.425 5.089 50 10 KKGE COc1ccc(/C=C/C(=NNC(=O)CCCCC(=O)NN=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084606684 QHOMLDRNAWIXIB-QESIRKBKSA-N 674.798 7.049 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084640457 YRSAQTBJLZSBHE-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C(c1ccccc1)c1ccccc1 1084648986 COPBZYVKDIDDJO-UHFFFAOYSA-N 523.408 5.476 50 10 KKGE O=C(Nc1ccc(Oc2ccccc2)cc1)N(CCc1ccc(Br)cc1)/N=C/c1ccc(Cl)cc1 1615943135 BNTWPRHBJFIWLS-AJBULDERSA-N 548.868 8.006 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744109 UBVLRYNGUMBXRG-UHFFFAOYSA-N 534.332 6.092 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc([N+](=O)[O-])cc3)CCC4)ccc21 1772744645 GIUWCKQWBVZYFD-UHFFFAOYSA-N 549.587 6.347 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685875 NZMBJXNILFNFRH-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccccc1 1865687266 NGCJDTOOBJLZOM-MUUNZHRXSA-N 527.584 5.740 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695671 GGJBQUDWEAYLLD-JOCHJYFZSA-N 515.367 5.234 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCCCc1ccccc1 1865697159 OJDVKEANGGWELX-QHCPKHFHSA-N 526.559 5.796 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703784 FSUPEHOSEVZHPE-HHHXNRCGSA-N 570.546 7.040 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704735 CSLZKSNOWVQPPM-MHZLTWQESA-N 510.553 5.977 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866723505 FCBCRQQZFKXUGP-VSGBNLITSA-N 513.663 5.832 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872744730 GDPSUMDHACOASQ-RFBIWTDZSA-N 511.647 7.031 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C(C)C 1872753730 KIUKDWLGNJMHBL-XDOYNYLZSA-N 518.551 5.248 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784730 YKARVDFWSIZYKD-LFYBBSHMSA-N 507.163 6.013 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1F 1872792214 LRVOKBXQEWIOIC-FRKPEAEDSA-N 503.393 6.580 50 10 KKGE Cc1oc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924605739 WKEZJVUJVUOCHM-QMMMGPOBSA-N 528.285 7.028 50 10 KKGE Brc1nscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1925272647 YWNUCVVDPVQLJX-BYPYZUCNSA-N 575.765 6.739 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(Cl)ccc2Br)[C@H](I)C1 1993165436 GMFMTEUIJCDLNQ-KGLIPLIRSA-N 516.601 5.042 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2003650271 TVVPALBFZKKDSI-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE CC1=CSC(=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)N1c1ccc(OC(F)F)cc1 2053607082 MMONQMCYDIYRPX-UHFFFAOYSA-N 508.554 5.012 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1Cl 2053623231 NCCLDNMYSUUTKS-UHFFFAOYSA-N 605.772 5.692 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC23CCC3)c1Br 2085499396 HQOGNMYKHHSGFN-WKEGUHRASA-N 566.751 7.363 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673231 IZSWSLPIVUEGNC-ZDUSSCGKSA-N 529.917 7.397 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141795289 WBISMFGUTHFMJW-CHIQAWFVSA-N 537.937 6.534 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2156116733 MOKIKFIEWUSHOS-DCUMQYTISA-N 557.918 7.687 50 10 KKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1Br 2166830227 TYTQBYJGVKOHQM-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2202996849 HZVVOFYNTKBTHF-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE CC1(C)OCCO[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396495 XQANCNMETGSKBN-VXGBXAGGSA-N 556.314 6.211 50 10 KKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206400065 OZSHVPZDXAZLHQ-SXMVTHIZSA-N 598.793 7.378 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206407579 DEMUPXBDADDCKX-CYBMUJFWSA-N 723.060 8.432 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccsc1Br 2213490686 VDYGBKYAVZBOSN-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2218596479 FJSHDFDKDHDYBD-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)sn2)c(C)c1Br 2220143173 CNTKONBZQLPCAQ-GFCCVEGCSA-N 521.443 6.218 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2225632494 CNTNXTWOVVQGNQ-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE C[C@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234059007 HNTZNBYQFXNHNH-XOBRGWDASA-N 511.689 6.383 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)ccc1I 2279139874 QAYJESKACGKIAJ-OAHLLOKOSA-N 511.998 6.602 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2282135654 IMVAYRZYPDNUBX-AWEZNQCLSA-N 533.830 7.045 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(F)cc1 2295163791 VWFNFEZQBSKFBB-UHFFFAOYSA-N 509.375 6.338 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2296790034 KMCCANDRNOAKCZ-UHFFFAOYSA-N 633.907 7.667 50 10 KKGE C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]43C)(CC1=NNC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 2297643337 VXLVRWWWBQOCCJ-SJQKSEIYSA-N 541.605 5.868 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 2313670596 IVHSQYVBJQVPHS-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314455042 LHBBUZFDXSSAKF-SFHVURJKSA-N 529.070 6.491 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314618720 SJHRXKVHHSFSKO-UHFFFAOYSA-N 601.062 7.157 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314619107 ZUOCNRIROGPOKU-JOCHJYFZSA-N 516.576 6.340 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)C(C)=C(C#N)C2=O)cc1 2314620196 MHLDJNGIPYFENA-UHFFFAOYSA-N 514.585 5.383 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 2314760710 YTNQHLNIWXFNJB-UHFFFAOYSA-N 581.463 5.946 50 10 KKGE Clc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2317772213 AANXKKAWHMBQTA-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1I 2329661990 PZTHMTKDTWMAEM-UHFFFAOYSA-N 531.973 5.362 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c2ccccc12 2331489930 LQFQSIPRFILKEN-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE C[C@@H]1CCC[C@@](CBr)(OCc2ccc(I)c(Br)c2)C1 2350054383 ASFNKVKACBQMBZ-IAQYHMDHSA-N 502.028 5.914 50 10 KKGE COc1cc(F)c(CBr)c(Oc2cc(Br)cc(I)c2)c1 2364262161 YNVKNGIDOYEHJK-UHFFFAOYSA-N 515.942 5.889 50 10 KKGE CN1/C(=C/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C(C)(C)c2ccccc21 3300353 BCGDZCQUOIPTPP-KNVFCUEUSA-N 500.602 6.027 50 10 KKGE CC(/C=N/NC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br)=C\c1ccc(C(C)C)cc1 20550180 PXQSINFDBSWYDJ-TZBMKNORSA-N 510.392 5.545 50 10 KKGE CC(C)(CCl)C(=O)Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 23336501 JVMPZJHRACYHHD-UHFFFAOYSA-N 507.000 5.755 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 38659525 CPOORXZCRKXICF-XMMPIXPASA-N 511.361 5.838 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38660256 WZYMDFJSHSCUNX-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCCC(C)C 38684330 QMRFHXQUYZRNAO-GDLZYMKVSA-N 512.606 6.256 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38684583 ATGHNXPIIOMSRJ-LJAQVGFWSA-N 510.590 5.751 50 10 KKGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 39858821 COJXPLYQAWTWJW-SQFISAMPSA-N 507.333 5.348 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 58895277 NXTUUTPFWPDMPB-SGKMTROSSA-N 516.638 5.674 50 10 KKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cc(OC)c(OC)c(OC)c4)o3)sc2c1 59506487 RHGXXEMIMFVNMP-DHRITJCHSA-N 513.597 5.229 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c(Br)c1 100104972 IJMQQTKZZYDCFO-UHFFFAOYSA-N 526.456 6.169 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206111 KPJPOIMQLPPXGZ-HNNXBMFYSA-N 552.252 5.606 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1 100233451 GKYWUUDQEVFCPA-ZSYYNXLFSA-N 555.469 5.708 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 100235998 YIDCWRANSGYIJY-PCYMAAINSA-N 624.757 6.807 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(I)cc1 100313361 IDOZVEJYNZEGOB-TZMKENEKSA-N 584.454 5.571 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870059 UCSYTBHKUMGXFH-JJTCPOHDSA-N 600.764 5.278 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242320 ZPDJNNKPUXUASJ-WTALZMIHSA-N 528.417 5.338 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101307556 SEIVIYGNPBYJJA-DEOSSOPVSA-N 579.461 7.219 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385142 WNXSSKJYFYJJTQ-HKBQPEDESA-N 548.595 6.029 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1 101388417 NVLISMZAMRVUCC-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(F)cc1 101389297 PRFCGOKRSXQUPH-SSEXGKCCSA-N 615.455 7.003 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 101390152 PEDUKOKKZZVPOW-SANMLTNESA-N 551.470 7.517 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)oc2cc(Br)ccc12 101396477 FCLMEZJYFWQTFU-NDEPHWFRSA-N 587.470 7.366 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 101397607 UDKVAUNCMXNGNY-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c(Br)c1 101613829 GGCHEDMMPXARQJ-INKHBPHZSA-N 556.460 7.049 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 101727375 LVTIEUQYAVPDLD-XKJRVUDJSA-N 562.931 7.592 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 102348537 JHIHDCXNGMTXPV-XKZIYDEJSA-N 541.405 5.313 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 102924093 LWTVXCMAEZNSQR-VCHYOVAHSA-N 555.870 8.105 50 10 KKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C)cc1 103728203 YEXIZEQAMZNHCN-IOIBFPCHSA-N 574.341 5.986 50 10 KKGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103878027 HNEDUKWVUVTMCR-VTNSRFBWSA-N 594.893 6.574 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1 150460467 YDTRPWWVWVGXKE-WJOKGBTCSA-N 637.486 7.529 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150461697 UMWNLHKSRRJUBW-QFIPXVFZSA-N 672.776 8.344 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150461970 RDAUGPDYHMKHJU-LJAQVGFWSA-N 629.521 8.233 50 10 KKGE C[Si](C)(C)Oc1ccc([C@@H]2[C@H](CC[C@H](O[Si](C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 199714995 JHMCCBLFRSWDAL-YTCPBCGMSA-N 553.798 8.256 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[c-]2cccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 206529655 DFPRZGFHXZBPTL-VWLOTQADSA-N 789.601 11.667 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1csc2c(Br)cccc12 236030944 OOPKSCNSRRFUJY-AWEZNQCLSA-N 542.461 7.359 50 10 KKGE Fc1cccc(C[C@@H](Br)c2cc(I)ccc2Br)c1F 236202630 VRRIRYOFIWYUJB-GFCCVEGCSA-N 501.934 6.011 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(Br)cc3)cc2)cc1 252595572 CCKDBDFUMZFWIX-PMERELPUSA-N 583.486 6.586 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253568357 LCRHXDJSWOYBNX-KCSSXMTESA-N 592.173 5.312 50 10 KKGE CC(=NNC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cccc(NC(=O)c2ccoc2C)c1 254658334 NNZRZNHJBYMIGJ-UHFFFAOYSA-N 546.627 6.997 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc(OC)c1OC 254761364 XAYSGXPHAJVQHX-UHFFFAOYSA-N 579.682 5.870 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C 616586158 OCVQSCAXMQHVCM-GIZJQWGDSA-N 928.160 11.036 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591090 WUUPISRMPWBNRI-IVQSPXHRSA-N 744.913 6.611 50 10 KKGE Cc1cc(C)c(P(c2cccc3c2Oc2c(Br)cccc2C3(C)C)c2c(C)cc(C)cc2C)c(C)c1 642813993 KUZWNRRYNTYLAB-UHFFFAOYSA-N 557.512 8.489 50 10 KKGE COC(=O)[C@@]1(COCc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654258 NVRSKODTJANKRR-YWEHKCAJSA-N 513.707 5.548 50 10 KKGE COc1ccc2cc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c(Cl)nc2c1 725384963 WKWKWFDXLFCZRZ-NDEPHWFRSA-N 531.037 5.435 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C 725431727 MVIUGDKNVCSCIA-UHFFFAOYSA-N 563.123 5.706 50 10 KKGE COc1c(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)ccc2ccccc12 1083932467 XSCJXTLBJJFLIV-UHFFFAOYSA-N 532.369 5.431 50 10 KKGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1083982133 PMPPPCXRRNBVDI-UHFFFAOYSA-N 584.097 6.418 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 1084272619 OIWOZSNLCDQPRJ-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 1084350360 RARMGALZUFLUJV-XMMPIXPASA-N 671.757 6.649 50 10 KKGE NC(=O)COc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084452992 HEGOKAUHURIJQZ-UHFFFAOYSA-N 515.633 5.060 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 1084576261 LCGLEKJYYAVLIE-XMMPIXPASA-N 525.443 5.699 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NN=C(c1ccc(Cl)cc1)c1ccc(OS(C)(=O)=O)cc1 1088731800 SCBKOGSLWDPVPM-MJGOQNOKSA-N 515.846 5.138 50 10 KKGE COC(=O)/C=C1/[C@H](OCOCc2ccccc2)C=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H]1[C@H]1COC(C)(C)O1 1307286680 MJRLFGKWDKEMSX-GBPSBFQKSA-N 672.891 5.291 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c(Br)c1 1772748604 VLIWQEKZIMDQEJ-UHFFFAOYSA-N 539.386 5.219 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O 1772755029 HSMYLDUMQIUHHR-UHFFFAOYSA-N 512.838 5.183 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686344 VAPILAKIINZHQI-MUUNZHRXSA-N 504.634 6.565 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687845 BQLAVVXCSGOLHU-MHZLTWQESA-N 579.454 6.690 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(C)cc1 1865688565 VEDKDGDXFKFVGN-LJAQVGFWSA-N 573.068 6.791 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OCC 1865690915 DYHQGPXSWTXXGO-NDEPHWFRSA-N 554.622 6.152 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865692415 FOBQQTJEEOYEMQ-KRWDZBQOSA-N 535.320 5.279 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865694075 PEDVLWOXQJMYQT-SSEXGKCCSA-N 575.068 7.389 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1O 1865697066 WBKHSJFQNJUZFJ-HNNXBMFYSA-N 511.685 5.231 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708509 AJYKFPMVNQHJGK-NDEPHWFRSA-N 578.113 5.732 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865708769 FRNCZCMRNHOHEO-QHCPKHFHSA-N 512.953 5.206 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865711076 PDTGCXZSBWMGGG-RUZDIDTESA-N 528.996 5.496 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714143 DRORAYAXGWORPO-QGZVFWFLSA-N 541.313 5.198 50 10 KKGE CCCC[C@@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867027661 SOLDYYULYIAHSC-MUUNZHRXSA-N 529.706 6.917 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872794790 WXTJCXWDKKHLIR-OQLLNIDSSA-N 523.905 7.929 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 1873920345 DPPQLGRJEWRGGE-PYCFMQQDSA-N 520.542 5.815 50 10 KKGE O=C(c1cccc(Br)c1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915261421 BBYBAILTSCTVBB-KRWDZBQOSA-N 516.071 6.028 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@@H]3CO2)c1Br 1924571825 UUPNATGPXXFZCZ-MNCSTQPFSA-N 509.883 5.897 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924596630 QZWIWARQOOXVSL-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Cl[C@@H](C[C@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2085496522 RRYNJNFNGCZBFP-MUWHJKNJSA-N 526.288 6.586 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2086138445 ANRFMAOVBGEHOF-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 2112344141 IMLHHWYBSFBTLJ-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)C 2123247302 QGJMULMNGPTMTF-MRXNPFEDSA-N 503.300 5.888 50 10 KKGE CC(C)C1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141475930 UEMCKAKSGGNIPB-WZQIAMPNSA-N 582.794 7.855 50 10 KKGE FC(F)CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206396851 BMEXBLRZYUFKKO-GFCCVEGCSA-N 560.296 7.842 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207100038 AMFZDSSHFPNXMP-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE ClCc1cc(Br)c(OC[C@@H]2CC2(Br)Br)c(Br)c1 2213086528 YWJQAHHYJOYAKA-ZETCQYMHSA-N 512.261 5.835 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1I 2225618071 XEXKNXVZJHIDCP-ZDUSSCGKSA-N 562.840 6.748 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511430 KFTRKRZYFUFLQJ-LLVKDONJSA-N 573.252 7.637 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)c(C)c1Cl 2232529032 VNMZEZLFLQJAGZ-CQSZACIVSA-N 593.322 7.571 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2232833499 BXEIAYQZZRPVSE-GFCCVEGCSA-N 702.642 8.134 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2297458598 IOYGNDVTHUKANL-HSZRJFAPSA-N 552.881 5.845 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 2313518663 NRRFPQSNVARCNN-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)sc2c1CCCC2 2314482425 KTDLMNIFMMICPY-UHFFFAOYSA-N 598.728 7.869 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2314485790 CEFGKWLSNDXREQ-GOSISDBHSA-N 529.070 6.491 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618998 XXLSTRVBRUSJNU-QFIPXVFZSA-N 563.057 6.945 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCCC(C)C 2314634316 BQECMLWCFGVMDU-SSEXGKCCSA-N 510.590 5.957 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1 2314634617 PIYTXLDNTQXSMI-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634787 LIFYTCYRFZHQCN-HKBQPEDESA-N 524.617 6.410 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1OC 2314729026 RZKUKXGCGGSVOQ-IBGZPJMESA-N 524.683 6.563 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 2314755193 XUTOOMKBBKPFTK-UHFFFAOYSA-N 516.594 5.492 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Cl)cc2I)c1Br 2317772871 HTKWJQQPBXBZCH-SNVBAGLBSA-N 540.873 7.168 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(OCC)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 2318356195 VNAOBMGUVVVJHZ-UHFFFAOYSA-N 548.690 5.269 50 10 KKGE Cc1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(OCc5ccccc5Cl)cc4)nc(O)c23)cc1 2320488220 DCCVGVLWBPGFQP-UHFFFAOYSA-N 575.115 6.847 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331331656 ZUVOTDTYOXYKBO-UHFFFAOYSA-N 505.599 6.858 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1Cl 2331381179 SKHNHXXTQMFGKS-UHFFFAOYSA-N 502.206 7.391 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362240955 SEGCKWHPCOELLP-SECBINFHSA-N 554.277 6.293 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Cl)c(I)c1 2362427995 PZULZNGJKTZEOK-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365184897 GSGRPLXNKWTNAL-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE BrC[C@@H](OCc1cc(I)ccc1Br)c1cccc(Br)c1 2367610527 IEYPXHQCNJNKSJ-OAHLLOKOSA-N 574.876 6.469 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Br)cc1 33406763 IARKYGIQAMGQSA-UCQKPKSFSA-N 519.439 6.898 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 35446000 DXKQLMYZLZWVPT-ZXVVBBHZSA-N 510.597 6.972 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651805 MSRAUHUUHHMOEC-XMMPIXPASA-N 505.368 5.675 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655854 IDSNPPULECJTKA-QHCPKHFHSA-N 512.305 5.104 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 39858643 JZRLOFUPTFMMDN-VKAVYKQESA-N 505.361 5.902 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813672 VKWNJDZBWHVOOB-JBASAIQMSA-N 525.436 5.328 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 40846977 VXDHWAFDBVPFPF-LQKURTRISA-N 507.612 5.547 50 10 KKGE CC(C)(C)OOC1(OOC(C)(C)C)CCC(C(C)(C)C2CCC(OOC(C)(C)C)(OOC(C)(C)C)CC2)CC1 95713313 ZHKCHSNXUCRFSM-UHFFFAOYSA-N 560.813 8.772 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(OCCCCCC)cc2)cc1 100139831 PZFFZLMZKPMHDW-UHFFFAOYSA-N 582.742 5.387 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 100181852 PNDCTDUXJVKWFX-QGZVFWFLSA-N 550.519 5.102 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101340488 MMZJJOQSIJMAMP-HXLYRSSUSA-N 544.586 5.794 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(Br)c1 101363651 IDHAAPLDJQWTJK-NRFANRHFSA-N 526.730 5.448 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101373701 CUYZZWHDBDDYGQ-HHHXNRCGSA-N 583.468 7.017 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCCC(C)C)c(OCC)c1 101375177 CTJKZOAJKDQJIY-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 101377182 PPSYOSSBRVPNDY-LJAQVGFWSA-N 533.024 6.420 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381177 SVLKYGUTCRWPCP-PMERELPUSA-N 587.459 7.408 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383174 XHKVHVUPPIYNPT-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101386761 YUXZXNNMLBEQMW-FZYZMVIOSA-N 584.575 6.143 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101392992 KGNRBCMJTOUKFH-SANMLTNESA-N 561.059 7.180 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101398076 BUVZFOIWNLQNGR-XZWHSSHBSA-N 532.552 5.229 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1O 101713188 JYTDZJQHVHMZHU-BHGWPJFGSA-N 528.241 5.143 50 10 KKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)c1cc(Br)c(Br)s1 101759804 VNZAIZVPUNRMAJ-OQLLNIDSSA-N 519.214 6.565 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 101766870 HKDSDUQGLSRNJQ-FDAWAROLSA-N 602.367 7.397 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 101827605 AMIPSZUREVETIT-QGOAFFKASA-N 525.424 6.217 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 102629611 BNHFWNDKTYWKAK-MXMJWMLESA-N 532.036 7.609 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 103794970 FQYPBGDPQAEZGB-RKHFPAFXSA-N 524.831 6.054 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1F 103880283 XXMULHBVOSVUEY-VFLNYLIXSA-N 545.792 6.729 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Br)cc1Br 116715163 MUURQTZBTHUINT-MRVPVSSYSA-N 540.424 6.455 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1Cl 163743710 NJCLEZFUGSEGKR-FYJGNVAPSA-N 648.328 6.441 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3cccc(I)c3)cc2)c2ccc(C)cc2)cc1Br 164600869 WQAXFQQVXBKRTJ-QNKGDIEWSA-N 732.438 6.920 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1 164647423 TXIFRPLWIXAYLR-ZSNJKBEMSA-N 720.405 8.171 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214307607 UXZHVIUGYIAYDV-GDORNDHESA-N 641.794 5.367 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214409618 PIKWKHDGTODQHV-RAZNUTEOSA-N 649.748 5.891 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254292895 VAVRVVFVJHZMGE-UHFFFAOYSA-N 531.653 5.775 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OCc1ccccc1 254489438 WKQRUNSKTDCWRH-UHFFFAOYSA-N 605.764 7.062 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 254518928 LTSPPKHNEIVQAI-UHFFFAOYSA-N 505.486 5.590 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 256018192 GZZAGMGZOQZHGH-XKAZDTCBSA-N 509.541 6.865 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 256018211 QEXMQZBYCGBCAP-HJKFRTEPSA-N 571.435 6.884 50 10 KKGE Cc1cccc([C@H](Br)c2cc(F)c(Br)cc2F)c1I 300473227 VKYANQXNJADXLI-ZDUSSCGKSA-N 501.934 6.125 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 311599245 GHPJNHPTIAFPNY-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE C[C@@H](CCc1ccc(O)cc1)N(Cc1ccc(O)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 504374481 RCRHYSIURXFCOG-JHOBJCJYSA-N 521.774 7.390 50 10 KKGE in-vitro C[C@@H](Cl)c1nc2cc(Br)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705608669 GIYQTCOPTDWIPR-LJQANCHMSA-N 525.878 5.965 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721609478 HCWQGUIBQCHTLM-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237483 IQDNBHPXVZOCON-RUZDIDTESA-N 612.979 8.530 50 10 KKGE CC(=NNC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725274153 IVSAOYOKGQGAQG-DWDWHFOYSA-N 577.710 5.644 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 725329774 DJWYSLVSBLMOCS-URTFRXBZSA-N 795.947 7.144 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 725436266 XCWMCDAQHGRYPL-VWLOTQADSA-N 529.008 5.819 50 10 KKGE CCCCCC/C=C\CCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C 888086158 IHNHIJVZLTWENJ-QFJYHLIDSA-N 595.982 9.893 50 10 KKGE CN1c2ccc(N(CCCl)CCOC(=O)CCC[C@@H]3Nc4cc(N(CCCl)CCCl)ccc4N3C)cc2N[C@H]1CCCC(=O)O 1083806968 GOHBGOVURSZEBR-LOYHVIPDSA-N 684.109 6.060 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc23)cc1 1083994803 JDLOQMJFDFWPQX-UHFFFAOYSA-N 529.017 6.765 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2C#N)cc1 1084139692 NLAKOSAJQUPNMV-RUZDIDTESA-N 536.426 5.262 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1 1084144700 IUSCOFHDTHZBNU-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C)cc1 1084235220 PECJKRZTMWMEBA-YBFXNURJSA-N 607.275 7.430 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)c1 1084283385 WSYZJRUYIWLYLB-UHFFFAOYSA-N 563.123 6.094 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(Cl)cc2)cc1 1084582805 XFLLLUQWYCYZHE-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745682 HPGDCEHNFPZENI-UHFFFAOYSA-N 514.365 5.389 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750453 AGJVTHYJYIKXLQ-UHFFFAOYSA-N 549.347 5.597 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCC(C)C 1772755143 PMXLSMBOBPUULW-UHFFFAOYSA-N 582.973 6.902 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(Cl)c1 1772760642 XMBWXEUKWLHIFG-UHFFFAOYSA-N 541.054 5.218 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2/C(=C\[C@@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848433045 OFDIKJKJPJTORF-DJBUYHKBSA-N 705.251 11.282 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687112 JQHXURTWWNBLBU-DEOSSOPVSA-N 533.415 6.146 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865690388 QBMDEKFQPOTLKA-DEOSSOPVSA-N 518.539 6.831 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865690861 CUZFSLRFBWMFBW-MHZLTWQESA-N 524.596 6.143 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865694788 BQNDPIZGBIYTLP-MUUNZHRXSA-N 510.569 5.493 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1F 1865702161 OIZDAMWXOOZUSR-QFIPXVFZSA-N 535.804 6.372 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865702974 JVTOMYNBEXKGNA-DEOSSOPVSA-N 516.523 6.056 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703221 QGRMSSWFPUCFEY-LJAQVGFWSA-N 504.634 6.298 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OC(=O)c1ccccc1 1865705062 LDQNZVRXQWAZLD-HHHXNRCGSA-N 541.567 5.380 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867045897 NXYRQFCNPNXNEQ-VWLOTQADSA-N 528.659 5.388 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 1872746571 NUCJZPAJDCHDLZ-ZICFTWAPSA-N 515.034 7.866 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)c(C)c5)cs4)cc3C2=O)c(C)c1 1872749883 LNDBTHQUOVRIMW-ROMGYVFFSA-N 509.562 6.625 50 10 KKGE Clc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924589577 CKHJRIVDYVTFRQ-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCOC2)c1Br 2025779902 MXUYPYOMOXMHFA-CDUCUWFYSA-N 556.712 6.209 50 10 KKGE CC1(C)c2cccc([C@@H](N[S@@](=O)C(C)(C)C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080760795 VNHMTXKQMCMSHT-QNRGTEOSSA-N 739.762 10.055 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2083334303 MLYYBXCNSWRTQO-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Clc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc1I 2094673276 JIMWIDHYWBTGRT-CYBMUJFWSA-N 532.466 7.130 50 10 KKGE CN(C[C@H]1CCCCN1Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 2098115534 BSCKDLZXFGGJPU-GOSISDBHSA-N 500.706 6.488 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2C[C@@H]2CO1 2141470897 MAVGQFCSGXSSPT-BJMQDQJUSA-N 538.299 6.442 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2141473801 TXOHASNBWSWNSW-NSHDSACASA-N 601.156 6.608 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ncc(Br)cc1Cl 2183581904 RCXDRMNFRCTJNP-UHFFFAOYSA-N 504.831 6.340 50 10 KKGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)c(Br)c1 2197756245 LIXMPGDETBQFHD-FQEVSTJZSA-N 517.283 5.104 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@H]1C 2206397986 PGBYGEUUHVYPNR-NTQPJNNGSA-N 598.793 7.232 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2sc(Br)c(C)c2Br)c1 2224053500 HYLVNPUQYUUGFL-NSHDSACASA-N 520.455 6.823 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)ccc1I 2229142452 JMUQPBXDYUYWRS-ZDUSSCGKSA-N 534.844 6.992 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232520944 RJUKPJJIVMUGHE-LBPRGKRZSA-N 569.289 7.807 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 2235608514 KIJKJMBKANSQMX-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2235614596 JIZFZWSYMDRFNQ-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277960235 GFIGNODIQNSLSQ-CYBMUJFWSA-N 518.389 6.478 50 10 KKGE Cc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1I 2278093536 ZWYZNQGOIBJYBL-AWEZNQCLSA-N 528.072 7.123 50 10 KKGE CC1(C)[C@H]2CO[C@@]1([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2289144001 ZEESMBXRAFKVQM-BHKQTNGVSA-N 552.326 6.832 50 10 KKGE CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 2294815241 ZUTUXWMYGVBMNN-GBERQVNOSA-N 519.849 5.524 50 10 KKGE Clc1c(Br)csc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2299499367 YVGHYJWCNPLXTG-INIZCTEOSA-N 507.074 7.834 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C)cc1 2313567313 ITGNUAHQIYHPEF-UHFFFAOYSA-N 593.465 5.443 50 10 KKGE Cn1nc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1Cl 2314455461 OZRAHVQSDRNRLZ-OAHLLOKOSA-N 505.037 6.553 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593417 MRQRXSGMYYJYQC-VWLOTQADSA-N 536.484 6.353 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594046 YBKLRKOKAAHFTQ-NIYFSFCBSA-N 515.610 5.528 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314616428 AGCBIKHKOODGQD-UHFFFAOYSA-N 527.020 6.153 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C(C)=C(C#N)C2=O)cc1 2314619568 BPHMWJIWQNTXFG-UHFFFAOYSA-N 572.621 5.154 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314619598 CHMNYKPRUPKBOX-UHFFFAOYSA-N 546.558 5.242 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1OC 2314750924 DQLUPZMQKMLMEP-RUZDIDTESA-N 574.630 5.182 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2316729829 GQVITDRPZZNDJW-MRVPVSSYSA-N 566.711 5.954 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Br 2331051574 MLOHYYZFUISLAX-UHFFFAOYSA-N 529.431 7.322 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331318353 BNRFEOUATNTXEG-QGZVFWFLSA-N 510.015 6.107 50 10 KKGE CO[C@H]1C[C@@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)C(C)=CC=C[C@@H](OC)[C@H](OC(=N)O)C(C)=C[C@H](C)[C@H]1O)C2=O 2333223563 OAUJLFPWRFHSNE-CQUOGHAESA-O 891.079 7.320 50 10 KKGE ClC[C@H](Cc1ccc(I)c(Br)c1)c1ccc(Br)cc1 2349842209 XARWANVVYHGDGF-LBPRGKRZSA-N 514.426 6.381 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)c(Br)c2)c1Br 2362221354 ZDTZUQQJTPMISE-LLVKDONJSA-N 570.703 7.904 50 10 KKGE CCN(C[C@](C)(CI)OCc1c(F)cc(OC)cc1Cl)C(=O)OC(C)(C)C 2364649038 YCVICOKPOVTUPE-IBGZPJMESA-N 515.791 5.455 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(I)c(Cl)c1 2365223869 RQGIZXKXCOEETM-CYBMUJFWSA-N 552.834 7.245 50 10 KKGE Cc1ccc(C[C@@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2377330497 QKHXNHRCGKPYLU-OAHLLOKOSA-N 508.035 6.158 50 10 KKGE C[C@H](Br)CN(CCC(C)(C)C)Cc1ccc(I)c(Br)c1 2377351923 GNICQHYQHSAGFY-LBPRGKRZSA-N 517.087 6.075 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2395670 AUJHMJDFNSLZOC-MTMYEVCSSA-N 535.691 6.905 50 10 KKGE N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2805914 ZXFYXHFTMQTVEO-BKUYFWCQSA-N 506.911 7.637 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cccc(OC)c3)cc2)sc2c1CC[C@@H](C)C2 6167530 FGTJFHGIDQSLQL-AJDRQSTISA-N 563.676 5.228 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21 13988880 FLBWWTLEYUHQEX-UHFFFAOYSA-N 501.395 5.756 50 10 KKGE COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(OC)cc3)cc2)cc1 15773765 QYJWPSMDQLVFCQ-LVWIFPILSA-N 518.617 6.132 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1COc1ccc([N+](=O)[O-])c(C)c1 27520764 VINPNPQTZYATFY-KKMKTNMSSA-N 518.353 5.327 50 10 KKGE Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c2c1C 35866773 BUUYQAWDUOFXSZ-VWLOTQADSA-N 505.087 5.722 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651787 XYVSJZOYAYRZBD-IVCQMTBJSA-N 519.395 5.603 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 38658619 IVDLYWKPPNYPPI-MUUNZHRXSA-N 500.551 5.030 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1 38660039 LOWVTZYUGTXGGK-WJOKGBTCSA-N 518.569 5.640 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660864 NCFIFYDHEJWUJX-SSEXGKCCSA-N 518.569 6.705 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 38679261 SONLNSIXZBPJCT-CBZJRKILSA-N 518.541 5.214 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 38684265 RMPMBOPDSVJUKV-NDEPHWFRSA-N 518.997 5.750 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38685503 ISWINLHCJXLFMA-PMERELPUSA-N 512.606 6.021 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 38686320 XIWHBMCKDIQORV-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 40846251 BRZIBWQXJWGSCY-QOMWVZHYSA-N 513.219 5.192 50 10 KKGE Cc1ccc(COc2cccc(/C=N/NC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1 40924932 ZLMMGGNZLVVFRW-CCVNUDIWSA-N 508.068 6.593 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(=O)Nc1nccs1 101034432 OUWIEFDSGCOEMD-RIYZIHGNSA-N 536.919 5.387 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 101336697 DBYNALRLMFXBOZ-WPWMEQJKSA-N 534.641 6.427 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367361 KLSOVECDXPVZRC-DVKDTXSKSA-N 560.606 6.120 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368338 YWXSEKYWQMMSQY-HKBQPEDESA-N 556.659 6.736 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1OC 101372209 LHUPXTMRWXWPGD-XIFFEERXSA-N 584.713 7.661 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 101375021 ZHGDQVFVMUMQIA-HKBQPEDESA-N 558.631 5.721 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379784 JPSQJCKIOOFAEB-PMERELPUSA-N 573.432 6.775 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380849 UIUKKXGBVMAZBL-WJOKGBTCSA-N 550.586 6.629 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387956 ASKIXOQAUMQEOB-COOREUGTSA-N 604.703 7.126 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390017 CRWIJYYEDXRBFA-HSZRJFAPSA-N 535.452 7.769 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCCC(C)C 101395755 MKTSSORUVOXBLF-NDEPHWFRSA-N 589.113 7.816 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H]5COc6ccccc6O5)ccc43)cc2)cc1 101397414 HGZDCIRPIIHVHY-FIRIVFDPSA-N 546.579 5.538 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)CC1 101397824 JZKVZEWJLYKKAX-HXPLHXQISA-N 554.662 7.525 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399441 JRSDQZXLZYNTIW-HKBQPEDESA-N 611.025 7.559 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 101729785 YPSGAVDUGRBZRG-IWXBHNLTSA-N 578.621 6.108 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1 102007328 USKRSANWYMCGJD-XODNFHPESA-N 618.351 6.308 50 10 KKGE COc1ccc(N2CCN(c3ccc(NC(=O)CCCCl)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 103133138 BNOCRRGDYQXDIG-QFIPXVFZSA-N 571.143 5.019 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Br)cc2)C1=O 103741517 OGNORGYGGMXMBZ-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl 103913511 LJHAGWBOHJEJCC-IEIGEXATSA-N 577.660 5.492 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sccc2Br)cc1Br 128842693 KJAISENCUYPNND-NSHDSACASA-N 503.879 6.828 50 10 KKGE O=S(=O)(/N=C(/Nc1ccc(SSc2ccc(N/C(=N/S(=O)(=O)c3ccccc3)c3ccccc3)cc2)cc1)c1ccccc1)c1ccccc1 150391300 YWUFENFWGSNQDU-UHFFFAOYSA-N 734.950 8.981 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1Cl 150463627 JKWGHHAJCLLXRJ-UUWRZZSWSA-N 673.593 8.896 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12 150622483 NSUKVQKCILDMRK-UNOMPAQXSA-N 620.843 7.327 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 164014822 YEESZYKIHGLWTK-XAZZYMPDSA-N 703.512 6.591 50 10 KKGE CC(C)(C)[C@@](C)(O)[C@H]1C[C@@]23CC[C@@]1(O)[C@@H]1Oc4c(O[Si](C)(C)C(C)(C)C)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 206560644 JSASBOULOIZLBF-BQJBHXKYSA-N 567.887 6.438 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214273249 WLOIWPWESVRAOJ-RHANQZHGSA-N 560.629 6.506 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214346136 VTRCOGYLYVPJEX-OFWBYEQRSA-N 554.650 6.248 50 10 KKGE O=C(COc1cc(-c2cc(Cl)cc(Cl)c2)n(-c2ccccc2)n1)NN=Cc1coc2ccccc2c1=O 252601492 FBGDKXKWURPVGE-UHFFFAOYSA-N 533.371 5.482 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O 254701492 CEXXMABQOCJHIP-UHFFFAOYSA-N 543.693 5.887 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(O)c1 254799139 UDHHXRQFZRDJKP-UHFFFAOYSA-N 528.656 7.127 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)sc2c1CC[C@H](C)C2 254823015 IXVZVXVGGWNFMC-FQEVSTJZSA-N 597.693 5.819 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256020004 RBPJAEZCCFVBGI-GHBVHVRQSA-N 630.462 5.097 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(N=Nc3ccccc3)cc1)[C@@H]2Br 261366770 NBQDKCSPKLVTEZ-WTNAPCKOSA-N 584.150 7.726 50 10 KKGE Clc1cc(I)c(OCC2(CBr)CCOCC2)c(I)c1 311443512 WNRRZDTVEWDBIB-UHFFFAOYSA-N 571.418 5.120 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)[C@@H](O[Si](CC)(CC)CC)C(=O)C(C)=C([C@@H](O[Si](CC)(CC)CC)C(=O)[C@]12C)C3(C)C 575416732 DWFMEMUVCKSWLY-MXWQHYCBSA-N 901.372 9.349 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 605692810 OFDIKJKJPJTORF-IQCZNDDWSA-N 705.251 11.282 50 10 KKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696715386 WTGZYPKIHJXDIA-IINYFYTJSA-N 515.027 5.079 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(Br)c1 721589269 SDQBZFYNCHRNNH-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1 725239156 YTMVHTAFULWCHE-SSEXGKCCSA-N 633.180 6.136 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817655 WUWBJKZWDLYUSB-DYFQPDDQSA-N 684.943 5.808 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1083953721 YHVIZOWXMBUJGY-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1 1083977648 NTQHPKSWHXCNGH-UHFFFAOYSA-N 578.112 8.156 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc(Cl)cc3)c2C)c(C)c1 1084073619 GQPDXOKOZJCZIB-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1F 1084084675 VTVKHVKXOOIVFU-UHFFFAOYSA-N 623.216 6.291 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 1084202013 GZAXNWMVEVJMOW-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2ccccc2o1 1084294880 ASRZJYNAHICCRO-UHFFFAOYSA-N 546.364 6.534 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084322907 BKAWPULPICMFBY-UHFFFAOYSA-N 527.927 5.234 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 1084443142 YPOBPDQCZMRMPB-DEOSSOPVSA-N 536.426 5.262 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743548 BLEFVCINDKDBNS-UHFFFAOYSA-N 508.416 6.197 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743802 LDAWZJUFNVSKPQ-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 1848434246 ISXKXFGJQNACAU-IVTUTIMQSA-N 574.988 9.282 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665484 MYCARRQNTBVVPF-FZDBBNTKSA-N 521.295 9.920 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865684069 MGLDDVORVSDDTO-QFIPXVFZSA-N 519.388 5.838 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)c1 1865690369 PLGSGCXRUPLDRN-XMMPIXPASA-N 543.421 5.927 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865692033 HRRUIAZPYDLCLE-QFIPXVFZSA-N 541.421 5.411 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865693367 NPQABJLEQNOBSA-DEOSSOPVSA-N 528.996 5.827 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865696135 KEKJLMAMXNVXFR-QFIPXVFZSA-N 546.977 6.399 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865696726 QOYRVLIVQPYFDK-HHHXNRCGSA-N 516.642 6.019 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865696741 JWJAKIWXIDZIJX-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703878 HXAZPRQKTKEBFZ-RUZDIDTESA-N 517.416 6.539 50 10 KKGE CC(C)[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866754552 IJWQXXZCISXUNB-UIOOFZCWSA-N 506.071 6.409 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866768173 UMYCZUGOLHHTOT-XNMGPUDCSA-N 519.642 5.909 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5cc(C)ccc5nc43)n2)cc1 1868528703 ZPSCPKFHOJDFGH-UHFFFAOYSA-N 530.657 7.410 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H]1c1ccccc1 1868544644 INCXRSXLLJHMOZ-NDEPHWFRSA-N 534.733 7.251 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)nc2c1 1872728804 VDUDOODRRIYNBX-GIJQJNRQSA-N 536.371 6.081 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1Br 1916384009 UZVWELDDIBCPSE-OAHLLOKOSA-N 520.059 5.264 50 10 KKGE CC(C)(C)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923049078 KMIWRLTWOWXXNB-LLVKDONJSA-N 501.509 7.708 50 10 KKGE Cl[C@@H](c1csc(Br)c1)c1c(Br)sc(Br)c1Br 1924579495 GNDSMYONNSVWQQ-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1I 1924614160 WXKVSSDQAOZRSB-ZETCQYMHSA-N 633.738 7.264 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)cc1Br 1925583735 FPTCBVROBHZADE-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE C[Si](C)(C)O[Si@@](C)(O[Si](C)(O[Si@](C)(O[Si](C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1 1933288834 FNZBSNUICNVAAM-PXLJZGITSA-N 571.059 5.660 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br)Cc1ccccc1 2009657562 BMTFTZASFQZXSB-UHFFFAOYSA-N 566.359 5.667 50 10 KKGE C[C@H]1[C@@H](C)[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025779983 NOBSCQVWDWVKFY-CMOFIFEBSA-N 554.740 7.075 50 10 KKGE N#CC(=C1SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2052963818 DJCRSHCGVPSXQZ-UHFFFAOYSA-N 583.515 6.311 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(I)sn1 2056487873 PJAISXRVMASFJD-LBPRGKRZSA-N 502.997 5.312 50 10 KKGE C[C@@H]1COC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493821 HMDCBKYYUWUPRQ-GOZTUDAPSA-N 570.739 6.455 50 10 KKGE FC(F)(C1CC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495724 SCCFRCHXJZJKCU-SNVBAGLBSA-N 532.242 7.062 50 10 KKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141473092 KZFLKRPJVALYEF-PTZCXBDSSA-N 584.766 6.988 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1csc(Br)c1Br 2150344773 SCUDVZXBLCUTKF-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE Cc1ccc(Br)c(COc2c(Br)cc(Br)cc2CBr)n1 2169023603 ANLQPHSXKKBQKA-UHFFFAOYSA-N 528.864 6.151 50 10 KKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(Br)cc1I 2207265688 UVMTVUCEEVOXGV-HNNXBMFYSA-N 515.027 5.127 50 10 KKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1I 2207268992 XLHDPQQXQBELGC-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2207275752 OGUIMYOVTBXVHB-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)ccc1Br 2213764497 BCMZLSQHWDXPFO-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 2232219521 HEUDDYIFTHIGTR-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2232222392 INTWVNYKBJJHNS-CQSZACIVSA-N 512.048 6.785 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2234058462 GFZVWYJZXICOGC-GOEBONIOSA-N 511.689 6.383 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(Br)ccc1Cl 2245931508 XWYIZXQOFPOGND-MRXNPFEDSA-N 518.617 5.338 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC23CCC3)c1Br 2247325217 BCXLYCDUTRMSSC-POYBYMJQSA-N 507.911 7.052 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2nscc2Br)c1 2252837752 UIWCLTKPMGKAPV-VIFPVBQESA-N 504.867 6.109 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccccc2I)c1 2263518346 CMHHKWDZXHQFKU-CYBMUJFWSA-N 544.850 6.495 50 10 KKGE CCc1nc([C@@H](Br)c2ccc(OC)c(I)c2)c(Br)s1 2269536261 YIPQEVDFMBIADC-NSHDSACASA-N 517.024 5.566 50 10 KKGE Cc1cc(F)c(CBr)c(Oc2c(I)cc(Cl)cc2I)c1 2283528881 KUNXXKDDJSWACQ-UHFFFAOYSA-N 581.388 6.684 50 10 KKGE Cc1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Cl 2295341556 GXLDCRUVHDMLPX-OAHLLOKOSA-N 501.871 7.459 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296507091 SRJIPFQNGZZUHS-XMMPIXPASA-N 522.457 6.675 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 2296833183 JYWKEWCGPNSEFA-UHFFFAOYSA-N 554.024 6.951 50 10 KKGE Cc1ccccc1N1C(=O)[C@@H](Cc2c(Cl)cccc2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2297467169 WDIVLBRZDYIKGQ-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE COc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1 2297486637 YDOPXVCGXGZBAK-UHFFFAOYSA-N 531.918 5.864 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2312254308 VKIMXZRHFOMABS-LVWRQZDYSA-N 523.910 6.287 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 2313667032 CXAYTDZNZCZODQ-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 2313667689 RCONFVQSMPHGAB-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2c(Br)cccc2Br)c1 2314455519 PIFFZZUOBVUVSM-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592788 BSMONNJYUJEHKD-XMMPIXPASA-N 504.011 5.091 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634783 LEVSPPFHEHCVEN-PMERELPUSA-N 506.602 6.386 50 10 KKGE N#CC(=CN(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605327 JLRSYRRVLKRNEL-UHFFFAOYSA-N 526.684 6.030 50 10 KKGE CCc1ccc(C(C)=CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329515121 RTSCLZNBJYKRJM-HHHXNRCGSA-N 515.704 6.282 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)n1 2331281981 PKJKMAJEQDZIEM-UHFFFAOYSA-N 513.962 6.223 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2cccc(Cl)c2)cs1 2331294288 LJLMNNQSEAPKDH-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)c1 2331319582 MAVZWXSKWOGETF-UHFFFAOYSA-N 515.638 7.887 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 2331362276 QTZBFMDNKXANHC-OAQYLSRUSA-N 501.652 6.624 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404600 USEPPMRWUJKQDG-UHFFFAOYSA-N 505.426 8.202 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1OCc1cccc(C)c1 2331474472 KQRKFODEGJYKDK-UHFFFAOYSA-N 517.050 7.741 50 10 KKGE CO[C@H]1C[C@@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)C(C)=CC=C[C@@H](OC)[C@@H](OC(=N)O)C(C)=C[C@H](C)[C@H]1O)C2=O 2333223562 OAUJLFPWRFHSNE-AWTOHSRISA-O 891.079 7.320 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2338027530 WTYINTBHYVWFBW-AWEZNQCLSA-N 531.933 7.472 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccoc2Br)c1Br 2339653818 NFYNZBUPDWDTAJ-JTQLQIEISA-N 517.837 6.368 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@@H]2C[C@H]1CO2 2359125183 YCAUZMBBQUPEEO-LKMMXTCYSA-N 552.326 6.832 50 10 KKGE Cc1c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)nn(C)c1Br 2360481072 IKSQSBKOVOXARL-SECBINFHSA-N 509.826 6.184 50 10 KKGE Cc1sc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1C 2362241257 VFMQVIVXXNLZMU-LLVKDONJSA-N 525.890 7.773 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1 1078402 FGDVATDGEJNMQT-WOJGMQOQSA-N 528.321 5.521 50 10 KKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 20616401 OUBSJZNXCKQCTJ-VQNQVOBPSA-N 515.573 6.380 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1Cl 38651381 ZMGSVBINXAWQNX-JOCHJYFZSA-N 515.780 6.483 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)c(C)c2c1 38688332 DPEIBJNPDMUSHG-RUZDIDTESA-N 519.384 7.048 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40591553 GNFVMBHJPDKYAP-UHFFFAOYSA-N 509.353 5.710 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813750 LHVUKBCVHGFYHV-NDZAJKAJSA-N 519.473 5.404 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Br)cc1C(C)(C)C 40911917 AJVKOMVMVHUVPK-WYMPLXKRSA-N 512.242 5.437 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 58890712 UNVXLPIFJCPZAT-LIWTUZSWSA-N 516.041 6.290 50 10 KKGE CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 97965891 KYGMMLKNKGDBOX-VUCPWBMJSA-N 541.504 5.892 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 100056369 GYWBPYCZEKYTFN-FDAWAROLSA-N 545.433 6.136 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 100190644 ZTRXDPOBTWQRIT-QGZVFWFLSA-N 550.519 5.102 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 100233652 VZXZNKSAWNIAAK-ZSYYNXLFSA-N 600.466 5.698 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 100236193 JHDPIBHIGZCASO-WGNDPNKDSA-N 586.439 5.308 50 10 KKGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(I)cc3)cs2)cc1OC 101034386 XKEJJIGXAPVVNL-LICLKQGHSA-N 546.386 5.429 50 10 KKGE CCOc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 101207927 SLXMTUSDOLKKGW-OAQYLSRUSA-N 519.932 6.317 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244700 PXRRLQBKBXLUCM-OGCOBRASSA-N 504.011 5.804 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101334925 LNEAQBWYRJDUKW-WGOQTCKBSA-N 515.529 5.240 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 101339383 WRDSYPNEUVFJPB-CVKSISIWSA-N 549.030 6.302 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367414 DWQJWFATWYQUTG-YTTGMZPUSA-N 562.622 6.500 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101374670 BSWOPCGUMMRESZ-HKBQPEDESA-N 577.077 6.819 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379497 XCBPJKIABZVPLQ-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381165 MBOQJUZGPXUQGW-MUUNZHRXSA-N 612.296 8.317 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387406 SOOFNXBQPPRZIU-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)cc1Cl 101392749 YVCKYHNWJPEPIM-AREMUKBSSA-N 569.441 6.627 50 10 KKGE O=C(CCCCCCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12)N/N=C/c1c[nH]c2ccc(Br)cc12 101538329 IOAXTICQMZPBNE-IHXWQEJPSA-N 614.342 6.115 50 10 KKGE Cc1cc(C)c(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1C 101727420 GGRHUTMLIOYPDG-AMVVHIIESA-N 536.122 7.210 50 10 KKGE CC(C)(C)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 102620537 PMNMDJWRXVMENP-XDJHFCHBSA-N 504.080 8.139 50 10 KKGE N#C/C(=C1/N[C@@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 102735381 ASDUWEGXRQTMRO-PMERPWLBSA-N 536.398 6.143 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 102932860 AXCLDLUQTXTABU-YVLHZVERSA-N 542.773 6.144 50 10 KKGE Cc1cc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 102988751 NOGZWLSQTQMBHN-YBEGLDIGSA-N 528.987 7.007 50 10 KKGE Cc1cc(NC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)ccc1Br 103845512 WYYFCZDOYGWXQS-OPEKNORGSA-N 583.122 6.846 50 10 KKGE NC(=O)COc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 104413462 HEGOKAUHURIJQZ-ZXKDJJQISA-N 515.633 5.060 50 10 KKGE O=C(c1ccc([N+](=O)[O-])o1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 139019052 PPQGVEDIVOFMPB-UFWORHAWSA-N 522.318 5.211 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433425 ODFJMEDQCHDAQN-JGCGQSQUSA-N 655.490 7.515 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2I)cc1 150581102 SCAAMMZATGTYJF-IUXPMGMMSA-N 744.121 7.000 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(F)cc1 164613858 JLCQBEVMDZELOQ-FDALDRLYSA-N 673.526 7.938 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)cc1 164627013 FNWJOATYUSIBDD-KKMKTNMSSA-N 619.209 5.841 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 205643156 HLSTZUFJYVHCPY-QFPSTTIPSA-N 500.554 6.103 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205775864 UDBZBAMGAUOWEX-QVKATGLSSA-N 632.742 5.553 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 206544698 XLCMBWJPTIGEJR-GPXZHFRMSA-N 536.584 5.975 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206701139 ITBGNSFNKXEFAG-YZEWIDBWSA-N 539.588 5.593 50 10 KKGE C/C(=C\C(C)C)[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@]21C 245189638 YRBTULYADOAUMR-WSJZOXSKSA-N 645.017 9.831 50 10 KKGE Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 252620747 MLGHWEJDPDPGFS-UHFFFAOYSA-N 601.226 6.297 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@@H]2/C(=C/[C@@H]3[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]4CS3(=O)=O)CCC[C@@]21C 253387389 YAFPKHBUEBAVRS-MPQBBXGVSA-N 508.841 6.568 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 254392823 FFIQLZGBFWDJHP-RPWUZVMVSA-N 612.102 6.331 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)ccc21 254659272 RSYQNIPQQYJDOL-UHFFFAOYSA-N 586.765 7.602 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nnc2-c2ccccc2)cc1 254822448 RIYIMVVJGHHLRE-UHFFFAOYSA-N 509.591 5.044 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 312374952 QHHAWOHHYDQYAG-CQSZACIVSA-N 528.409 6.126 50 10 KKGE Clc1cc(I)c(Oc2ccc(CBr)c(Cl)c2)c(I)c1 388238549 QGONLJQVPPGCNM-UHFFFAOYSA-N 583.816 6.890 50 10 KKGE CC(C)(C)[Si](O[C@@H](CC[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1 575134351 CRBPHYMIRLKDFY-XEZIGOATSA-N 647.838 8.473 50 10 KKGE in-vitro CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591377 YUZLCBDCWPRCMA-FTNKIUEJSA-N 620.771 6.056 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616690692 DDRDLYBNIRODJB-AREMUKBSSA-N 511.783 6.749 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(F)c1I 721705624 PJNYLIMJLQKBNS-CYBMUJFWSA-N 517.933 5.825 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 725393531 COKDXABUQLJTHF-UHFFFAOYSA-N 563.123 6.217 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 725420523 KWWZFFIGJSWIPA-AVKZGCRPSA-N 511.622 5.758 50 10 KKGE CCCCC[C@@H](/C=C\[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@H]1CCCCO1 725428763 OABDXHJQCAVVLW-MRGUKKSPSA-N 709.075 8.802 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccccc1 725438394 UNPKPEQCZCGTIF-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1083958965 QYFDTYSYZCPWLP-OVCLIPMQSA-N 720.088 7.235 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1Cl 1084314097 IIDJWRIAZWPJNU-UHFFFAOYSA-N 521.042 5.337 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)cc(OCC)c1OCC 1084456225 GKKJKSSKDCHOAV-UHFFFAOYSA-N 549.624 5.193 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 1084484657 WGONLIVVKDUESA-UHFFFAOYSA-N 583.541 5.785 50 10 KKGE CCN1C(=O)C(=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 1772720418 NRMVASNTGLGCGY-UHFFFAOYSA-N 513.395 5.473 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CCC4)c2n1 1772748192 OMMOMGLOAKHCOZ-UHFFFAOYSA-N 532.940 5.696 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1772752455 ORPWNOVMTIXOHJ-UHFFFAOYSA-N 577.660 5.311 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Cl)c1 1772755116 NZRADDRYJZCKOY-UHFFFAOYSA-N 538.094 6.684 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686628 YDTSXVKZAHADOG-JOCHJYFZSA-N 519.388 6.081 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865690034 ZMNSCROGVXVUNQ-JOCHJYFZSA-N 563.839 5.947 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865693446 VNDNNSKSCDDGQD-HSZRJFAPSA-N 537.458 5.662 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865695286 BFTPNVDDPRKUSH-HHHXNRCGSA-N 500.643 5.906 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865695669 GGDIGKQZSIQVFU-SANMLTNESA-N 521.061 6.664 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701396 URZMCUGTBLQSEY-HHHXNRCGSA-N 579.915 7.641 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701591 YWJSKVAKHHDMNM-SANMLTNESA-N 535.406 6.483 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865704744 CWYFXRCUPRKLAD-AREMUKBSSA-N 579.415 6.132 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705047 KWQYPILEOVHALE-VWLOTQADSA-N 506.562 5.406 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705195 OKEHVYKECYCORH-SANMLTNESA-N 520.589 5.652 50 10 KKGE CC[C@@](C)(NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866569032 YKERVGCSHWKWAH-HHHXNRCGSA-N 532.716 6.578 50 10 KKGE CC[C@@](C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867034113 CFNQIWHDVIUFIQ-GBXCKJPGSA-N 543.512 5.924 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2csc(-c3ccccc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867053557 NQPINXTYEQJSEC-HHHXNRCGSA-N 570.696 5.607 50 10 KKGE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134219 LVRRVWKYIYMCNS-SQHAQQRYSA-N 536.495 6.468 50 10 KKGE CC[C@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 1867139753 YOSZMRZQVRMAJW-WXTAPIANSA-N 552.494 6.411 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CCO2)cc1 1868301352 OQYOVDRCHLRJFV-HHHXNRCGSA-N 507.663 6.909 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)CC2 1868432947 CAJWCDRQZDYUQB-SSEXGKCCSA-N 572.134 7.891 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)cc1C 1872746343 CTHBMFOOZLMPCV-JZJYNLBNSA-N 519.848 7.195 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1872757094 QELHOLHXZBEBNX-XDOYNYLZSA-N 503.451 7.703 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCc1ccccc1 1872784681 VMXBWJMGKNEKKM-LPYMAVHISA-N 517.448 7.614 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Br)c1 1873940637 AQYJONOZMJSSLM-UZYVYHOESA-N 514.401 6.695 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1coc(Br)c1 1923074131 HNFYZHAWJONYTJ-ZCFIWIBFSA-N 514.258 6.766 50 10 KKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2008185016 ACNCJEBJXSRGGJ-IBGZTRGUSA-N 517.853 6.763 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CC[C@H]1C2 2025779022 BRHRHETZMMOJRZ-OECDLBLWSA-N 508.273 6.817 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 2107098307 HYSODVUBOOTDPP-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 2111098171 ZOCZZOAOUUFEQF-CQSZACIVSA-N 532.295 7.420 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648598 VVUBAMOWTBTMTK-LDYMZIIASA-N 545.907 7.687 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1scc2c1CCCC2 2130576268 NBEFCBBFUNICLU-VIFPVBQESA-N 505.522 7.351 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cn(C)nc2Br)c1Br 2136377053 LIKZHGZAPPPBFL-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 2137654219 BJVHCSAFUQMLQL-CQSZACIVSA-N 579.295 7.262 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cccc(F)c2I)cc1Br 2202357393 UTXVPFSXDHDBRI-ZDUSSCGKSA-N 534.388 6.339 50 10 KKGE COC[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206396331 VOBGYEAQPOBWST-QWHCGFSZSA-N 556.314 6.212 50 10 KKGE Fc1c(Br)cccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206410586 YYUIHYGUNCZYFC-LBPRGKRZSA-N 615.154 7.966 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616021 CDAGKDORBJGVTG-NSHDSACASA-N 519.832 5.814 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2225635117 STMSSGVDZMRLHK-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Clc1cccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236085203 NYIVKYRBQSGAHH-OAQYLSRUSA-N 504.792 5.083 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2241002423 VHVMNGAVYZIZSR-LBPRGKRZSA-N 524.838 7.651 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csc(Br)c1Br 2272839582 GWBNKXCHZCOBMS-SECBINFHSA-N 560.277 7.405 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Cl)cccc1Br 2288347881 ZFFQPSZUCBLISG-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295402936 RGWWZLXELSKWNP-CQSZACIVSA-N 515.517 7.934 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297491193 UHZHSBANULYBED-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314610431 IIWSHYUDDKUSKH-UHFFFAOYSA-N 597.502 7.427 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314619103 ZUDQLHFTBPTJCI-NRFANRHFSA-N 536.632 5.270 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314620783 VAGCYRBSMNLCIK-UHFFFAOYSA-N 600.719 6.808 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCCC(C)C 2314634782 KZWJPZKAXGLWLX-WJOKGBTCSA-N 524.617 6.347 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643230 JVASRLKVOSQXNS-PSXMRANNSA-N 618.705 7.938 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 2314720455 PKWMBIJSSQOWGF-BHVANESWSA-N 570.088 8.934 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314760136 HWZFAAPMJZWWPB-UHFFFAOYSA-N 537.410 5.547 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 2321721551 IGAPUWJWHABESL-NRFANRHFSA-N 516.038 5.415 50 10 KKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1c(Cl)cccc1Cl 2331051575 MMXZVECEMOWRGQ-UHFFFAOYSA-N 513.333 6.325 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331390356 AYWTZGSCDLNXTM-QFIPXVFZSA-N 507.999 5.894 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331396798 DQUIWMUGANKNBQ-SSOJOUAXSA-N 513.663 6.920 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1I 2338693419 MGDAGLRBHOQBKD-VIFPVBQESA-N 564.841 5.043 50 10 KKGE Cc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360428304 ZYNSZYSGFSFEGQ-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cc(Br)c(Br)s1)CCCO2 2369615693 LFOJGIBJQSNTIX-CYBMUJFWSA-N 545.916 6.845 50 10 KKGE CCc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058809 DGBFFAAAGBUINU-SLEBQGDGSA-N 516.579 5.283 50 10 KKGE O=C(N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(CSc2nc3ccccc3s2)cc1 33044030 BPJVNEIDZFSTHE-IHTNELIXSA-N 521.667 7.247 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 33355137 SLCXWSRZDIKMAU-XRGIRGSUSA-N 589.331 6.873 50 10 KKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 33568628 JJURAJXOJSGZNO-VFCFBJKWSA-N 506.634 8.394 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38660087 BHDQYAPJHXVUIZ-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)c(C)c2c1 38688306 WBSLUKHKOAPBFN-XMMPIXPASA-N 505.357 6.794 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38700793 WHVSBYWATLNUJR-NDEPHWFRSA-N 508.574 6.666 50 10 KKGE CC(C)c1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 40894281 RMCIVRZMRRHHBI-PCLIKHOPSA-N 506.558 5.401 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190942 KCVPFHOWSXPZOP-UHFFFAOYSA-N 550.519 5.248 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 101022796 VIRUFCJMHHDFHR-AWLRXGSOSA-N 547.709 6.894 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Br)cc2)cs1 101034258 REHZJTNKDKGWJG-CXUHLZMHSA-N 568.434 6.019 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 101336521 CSYBEGIFRHTSLF-RDRPBHBLSA-N 543.627 5.906 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337389 BXKFCABRLCACLR-IQTGRTGDSA-N 541.431 5.742 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101339470 UJVBBGVVSTWUFM-UXHLAJHPSA-N 542.639 6.427 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101378205 MIGKWFGZGLCIMT-MUUNZHRXSA-N 563.448 6.221 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380576 KAGLGUIATVOBNG-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101381002 MREPYBPQGYCKKX-KTBRYMIGSA-N 564.613 6.558 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385684 DQCCFWLNCBLIIB-AIKJVNBHSA-N 595.051 6.773 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386450 QTLGKLQUFQXBRL-HKBQPEDESA-N 587.459 6.947 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 101387543 OLLLFDCAAYHTAH-HKBQPEDESA-N 617.485 7.417 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387889 OEUJQQSELMQUII-DHUJRADRSA-N 590.676 6.792 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389394 PYIBWHQRYGLCSB-BEGJLFDFSA-N 597.042 7.294 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)oc2cc(Br)ccc12 101391651 IJRFXDVSVFBPHA-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396496 PFZOIEJHDDUHJJ-AREMUKBSSA-N 579.505 8.214 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)c(Cl)c1Cl 103185446 YPSZQKBOQJQRKQ-AWEZNQCLSA-N 525.666 5.134 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 103796469 BFYHVOZSTATLQV-KVSWJAHQSA-N 557.784 5.898 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 103877496 OCEJIZAJMPQXCD-VVEOGCPPSA-N 612.274 6.758 50 10 KKGE Br[C@@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCCCC2 155255850 GMGLWTYKSMAONZ-KGLIPLIRSA-N 686.935 6.756 50 10 KKGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 164606590 WLUICJHBORXTTR-WCMJOSRZSA-N 625.317 6.293 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780810 DDMNOPOSYFHSRZ-KWAQJPELSA-N 660.752 5.338 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)c1 207316838 TXCUQZQEKGOZOH-KGENOOAVSA-N 521.411 6.371 50 10 KKGE C[Si](O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 223562783 BQQASBDXPVNYSW-UHFFFAOYSA-N 885.619 11.806 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C2C(C#N)=C(N=C(Cl)N(C)C)SC(N=C(Cl)N(C)C)=C2C#N)cc1 252594344 BROMNSLZDNPUJA-UHFFFAOYSA-N 603.557 5.376 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 252611225 IHXPRRSQYQZRIF-UHFFFAOYSA-N 602.927 6.820 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 253577382 WZUOXOMUHMEMRT-JYQLLCJESA-N 617.753 6.478 50 10 KKGE C[C@H](CCCO)[C@@H]1CC[C@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C)OCCO5 253610074 ZDVCXQFUENFUQE-LZUIOBNISA-N 550.897 6.768 50 10 KKGE in-vitro CC[C@@H](Nc1ccc(Br)cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254522565 OCVMLZZIOKMTLS-OAHLLOKOSA-N 534.046 5.021 50 10 KKGE N#Cc1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br 254618866 GYRUPOJMHOWUDX-UHFFFAOYSA-N 636.094 5.594 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1)=C\c1ccc(C(C)C)cc1 254735488 HKUMWGMMBIRIED-RPXMOMICSA-N 664.617 7.213 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 256018189 GFKOGUDMPMBPLQ-GXBQEJFZSA-N 505.578 6.655 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 256018958 CGUIOIFLDYWASS-JTAKOYKNSA-N 712.523 7.472 50 10 KKGE Fc1cc(Br)cc(COc2c(Br)cc(Br)cc2CBr)c1 380280317 PMCYKKHVYDEJGO-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE CCCCCCCC[C@H](CCCCCC)CO[Si](OC[C@H](CCCCCC)CCCCCCCC)(OC[C@H](CCCCCC)CCCCCCCC)OC[C@H](CCCCCC)CCCCCCCC 642772094 KIAVRPCRHXOERO-SQHNJYBFSA-N 993.842 22.837 50 10 KKGE O=CC(/C=C/c1cc(-c2ccccc2)[s+]c(-c2ccccc2)c1)=C/C=C1C=C(c2ccccc2)SC(c2ccccc2)=C1 685944206 AHKYQFZGHFCUQU-UHFFFAOYSA-N 589.805 11.257 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2scc(Br)c2Br)c1Br 705446906 CQJAQROYSGABDH-ZETCQYMHSA-N 563.878 7.600 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Br)c1cc(Br)c(Br)s1 712617922 FSCZFINMTCSNEW-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1F 721608295 GDZAWODGJJVTLK-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238523 UJQKAMHHYSEJKX-QQWWJFKRSA-N 511.009 6.165 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083817479 GEYKFJRDKMXPMQ-JXOBEMLSSA-N 702.964 7.691 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(I)cc1 1083915658 FCCYKDHMIPQPON-UHFFFAOYSA-N 652.226 5.994 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083958202 KAPZTDVCDNOWAF-QFIPXVFZSA-N 566.279 6.307 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Br)cc1 1084038236 IPZIHLAHTQCRLH-UHFFFAOYSA-N 520.456 5.057 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084049209 KQGKBLVNVWQJFX-UHFFFAOYSA-N 606.144 6.280 50 10 KKGE CSc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 1084074488 KLPFMVLIEAJPID-UHFFFAOYSA-N 508.452 5.061 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 1084137993 VUYNJZPOXGAVEV-JOCHJYFZSA-N 611.249 5.736 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Cl)c2C)cc1 1084179703 QTRCJINSEXLODK-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084280906 UUHIBBGQKLBNDW-UHFFFAOYSA-N 560.314 5.678 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084479215 URFFAMRMFHUVIT-UHFFFAOYSA-N 601.132 6.606 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084608518 ZVMWQMHBXAXNEX-VXLYETTFSA-N 538.341 5.453 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 1084641141 ARYUVCPHWXSMCB-XMMPIXPASA-N 529.406 5.530 50 10 KKGE CCOc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719701 NJOATLLIZGAIAG-UHFFFAOYSA-N 770.792 5.337 50 10 KKGE CCOc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 1772719780 VKOFHOPTJHHOCH-UHFFFAOYSA-N 515.393 5.921 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cccc6cccnc56)c(C)c43)coc2c1C 1772751579 FYQOBHHFWXRJIQ-UHFFFAOYSA-N 521.573 6.118 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21 1772752545 ZVRQSTMGQVFABP-UHFFFAOYSA-N 500.437 5.317 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(-c2ccccc2)cc1Br 1772754400 ULBJMCKBKHHYPI-UHFFFAOYSA-N 532.232 5.806 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690098 ITACSLXZYLIQCZ-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865692525 GUQDBGKUSSDBII-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692551 CCQNPQVFLWHYRW-LJAQVGFWSA-N 536.632 6.029 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865692883 PWDKEOLOARBGBY-QFIPXVFZSA-N 553.457 5.747 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccc(Cl)cc3)cc2)cc1 1865692957 KGIYIPZFWBOIKA-XMMPIXPASA-N 550.968 6.709 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865696716 QLGJPGPYCUKLIM-LJAQVGFWSA-N 508.622 6.520 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OCC)c(OC)c1 1865697441 SMMNVKOELBRRKO-HXUWFJFHSA-N 509.404 5.348 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703977 JWLOBDHIJDJGMH-VWLOTQADSA-N 503.389 6.285 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OC(=O)c1ccccc1 1865704844 FWVPQWDVNRSJFZ-JOCHJYFZSA-N 532.478 5.337 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(Br)c(OC)c1OC 1872749752 GOCREXSBQGIYSX-RGEXLXHISA-N 505.365 5.996 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1c(Br)cccc1Br 1901795765 VBQJFFBSCLRGRT-INIZCTEOSA-N 563.068 5.447 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 1922883603 KLORTXBULOZNRN-QGZVFWFLSA-N 531.107 7.645 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1Br 1922891060 ITRCWNHDWFVPHN-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924593480 FFQNQXHUVBSXQV-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 1939528783 QFPGGDPNWQREMQ-HNNXBMFYSA-N 537.136 7.706 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CC[C@H]21 2025779716 KSQXQUFSYUEPBE-RUPFFVNYSA-N 508.273 6.673 50 10 KKGE FC(F)(F)c1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079242815 FRJXKKAKLYTYRB-UHFFFAOYSA-N 513.017 5.469 50 10 KKGE CCCC[C@@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493455 CCDKIAKQQIKFDW-HQJQHLMTSA-N 570.783 7.999 50 10 KKGE CC(C)C(F)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495343 QEGZPIAYKBQLDR-SNVBAGLBSA-N 534.258 7.308 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2093942282 OXQMIAZESKXWMY-SNVBAGLBSA-N 537.868 6.668 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1F 2112343543 BBXDYOQAUITSAH-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCOCC2)c1Br 2135275122 AVIDNNCGHPXXAQ-OYNCUSHFSA-N 537.937 6.534 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2156116734 MOKIKFIEWUSHOS-SLOVDRIHSA-N 557.918 7.687 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1Cl 2206398573 WKCBDSVXKPLIFX-SECBINFHSA-N 635.601 7.214 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2225632967 GTCNUHSCBZZBIH-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Fc1cccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1I 2238059730 JEHVJHGLMYRNQV-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1ccc(Br)cc1Br 2246464423 BZYPJVJHEVWCHH-SECBINFHSA-N 524.297 7.173 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)c(Cl)c1Cl 2264607763 QHHSVMILXJIDHZ-SSDOTTSWSA-N 548.736 8.371 50 10 KKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277964879 IOSSGLJCLUGNFV-ZDUSSCGKSA-N 532.295 7.306 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)cc2C)cc1Br 2286458389 MMVDQPMOXPFTFX-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198423 NVPXHUUZKUUNFB-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)C(=Cc3ccc(OC)cc3)NC(=O)c3ccccc3)ccc21 2297298845 FBAZQDPJFCVUCW-UHFFFAOYSA-N 516.601 5.744 50 10 KKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)n1CCC(C)C 2297486960 TYTKDOKAAMAICZ-UHFFFAOYSA-N 520.029 6.686 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(=O)C12CC3CC(CC(C3)C1)C2 2297554372 QEBRLZXEJXTAKS-UHFFFAOYSA-N 532.438 6.520 50 10 KKGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(OCc2ccccc2)c1 2297635231 SJYVWXMQZRKSOK-UHFFFAOYSA-N 505.621 5.282 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 2314414930 RFRPBTCKRWRMPY-UHFFFAOYSA-N 510.569 5.317 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(Br)cc3)nc12 2314531715 DIHGPJRWARJOHJ-UHFFFAOYSA-N 535.785 5.757 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591880 GSYCSXDICBHOBL-AREMUKBSSA-N 550.511 7.490 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593770 SLAPVHXWSJZIDL-RUZDIDTESA-N 518.038 5.481 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 2314610808 MMNRERXLYMONKB-UHFFFAOYSA-N 508.622 5.966 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314611321 TVQOVELEGAEBSW-UHFFFAOYSA-N 522.649 6.131 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618175 INRMUXBXQSYFAR-VWLOTQADSA-N 522.605 5.018 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314618184 ISESCHPGZGKOFI-AREMUKBSSA-N 625.128 8.125 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314620953 WZHAUVGRERZWNM-UHFFFAOYSA-N 558.613 6.344 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634737 DONQRHLPGHMNPH-MUUNZHRXSA-N 500.982 6.356 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 2314640773 WZSUMDKFCFQFOD-PGUFJCEWSA-N 570.689 7.709 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 2314646964 WUBRIWHHOBXJNH-YTTGMZPUSA-N 714.775 6.183 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 2314717032 HUVFLYLOFZETGG-ZEQRLZLVSA-N 575.684 7.218 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)ccc1O 2320487663 QOHBFGXZVSSRAJ-UHFFFAOYSA-N 556.669 5.379 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331122751 FCRCSEYARFDEQK-UHFFFAOYSA-N 529.593 5.307 50 10 KKGE CCN(C[C@@](C)(CI)OCCCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2366937965 QZGXLLUVDPDMBQ-HXUWFJFHSA-N 530.274 6.393 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1c(Cl)cccc1Cl 32520661 YFDURZTXSWTSIW-KKMKTNMSSA-N 515.422 5.700 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 35518870 HCJNMDGALLGRKF-HKWRFOASSA-N 505.603 5.906 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655881 CLVIQXSUELRTJI-AREMUKBSSA-N 523.416 7.000 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OCC 38683925 XHJKNWYRSOLQRK-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38685448 QLGUSJOMBMQXSY-GDJIYFAZSA-N 516.569 5.986 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(Cl)c5)ccc43)c2)cc1 38686664 MKQJEFLETKXLEZ-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100059982 AUXACVDPCOWTSX-UHFFFAOYSA-N 593.110 5.011 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100209354 JODAWNNALIXZCF-UHFFFAOYSA-N 556.482 5.012 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 100234858 AEQUQYDJGGLQHE-WGNDPNKDSA-N 529.406 5.530 50 10 KKGE Br[C@@H](CCCCCOCCCCC[C@@H](Br)Cc1ccccc1)Cc1ccccc1 100329463 NDUXHEOFXBNAIH-WMPKNSHKSA-N 524.381 8.136 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100335453 CKDGHLLXUSMPRP-DJKKODMXSA-N 607.275 7.348 50 10 KKGE O=C1OC(=O)[C@@]23C1=CC(Cl)=C1c4c(Cl)ccc5ccc(Cl)c(c45)C(=C(Cl)C4=C2C(=O)OC4=O)[C@@H]13 100368088 QZGSYCNZZJBRHA-MZNJEOGPSA-N 532.118 5.080 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)[C@@H]2Br 100848569 MDJHNKHKZSNQDM-ONERCXAPSA-N 515.471 5.359 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 100919901 KYZPNNLLPVURBF-XDJHFCHBSA-N 558.666 6.095 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244636 QFODJJXFANNWEH-YDYXIROLSA-N 534.435 5.523 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1 101367448 SVJOJAWRSVVJDX-PGUFJCEWSA-N 568.629 6.794 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1 101367577 ZQUGUCVOIUVPBM-BHVANESWSA-N 594.667 7.230 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374759 ITHOOIGVVDNCPP-NHRFMIRVSA-N 584.713 7.369 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382874 NNGUQYCAJRLPKM-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385446 PSHBRQPZFZPYAB-UUWRZZSWSA-N 576.649 6.348 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389417 JBXXFPQNUCQNGI-SSEXGKCCSA-N 605.449 7.548 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2c1 101390947 XEKXVPNCJAJSDA-YTTGMZPUSA-N 556.618 7.320 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 101405851 QAZCLLCKCUQPKA-LJAKKAIASA-N 618.715 5.163 50 10 KKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccc(Br)cc2)c(OC)c1 101468409 APQHMDCKNSGBBK-GDNBJRDFSA-N 525.193 5.148 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614039 DGLXBLBUVMDIFH-LQKURTRISA-N 531.794 5.130 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103888392 FFPDETRJEBXGJO-NDENLUEZSA-N 536.382 6.189 50 10 KKGE O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 105633245 URWSKIXMLPSSFA-BHGWPJFGSA-N 543.970 5.446 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc(Br)cc1Cl 150389372 GNQWHYPAUOPHJK-UHFFFAOYSA-N 711.235 5.002 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150464774 JGCMQOROEFUHDY-GOSISDBHSA-N 679.565 7.927 50 10 KKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 207116511 QAQYHEIKQCCPPV-ZTLZIAROSA-N 510.590 5.716 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214231517 PVDOBPPKHDDRNF-JLPGSUDCSA-N 510.594 5.339 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 214234975 YLDDPMVEAASQBJ-DIBXZPPDSA-N 508.622 6.111 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 214385064 SBTFFNJZYNSTGE-QRQIAZFYSA-N 584.632 5.934 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232345100 MFPJIWMGKSEUCA-CQSZACIVSA-N 506.392 6.744 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)cc1F 235920526 YOPNSJVAHKVJNG-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 249684045 DIMYHZDULFSWLS-MRXMGRMNSA-N 641.142 11.150 50 10 KKGE COc1cc(C(=O)OC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)cc(OC)c1OC 253532017 KHUBONOYDWHKJY-DPDDPCLISA-N 586.766 5.803 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(S[C@H](C)C(=O)NNC(=O)C2CCC2)[nH]1 253571219 ORQDFLKIFUPZBC-AJJFKZFHSA-N 646.866 5.645 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 254380848 NRPANIDLGVFMIK-UHFFFAOYSA-N 567.727 6.190 50 10 KKGE CC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C)c1ccc(-c2ccccc2)cc1 254396887 GWNFCFCWSYEFJR-UHFFFAOYSA-N 518.642 5.994 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cc(OC)c(OC)cc2OC)c(C(C)(C)CC)c1 254744459 VMLAFBCGWKBMII-UHFFFAOYSA-N 512.691 6.397 50 10 KKGE Oc1nc2cc([C@H](Br)c3sccc3I)c(Br)cc2[nH]1 394015603 FLDWCFUFWDPYRV-JTQLQIEISA-N 513.980 5.181 50 10 KKGE CC(C)(C)[Si](OCCn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2OC1)(c1ccccc1)c1ccccc1 504759849 QTOPVNYIVNVGDO-CKQCAZSUSA-N 851.074 5.926 50 10 KKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721623851 VPHLYMYYGTWUGN-IINYFYTJSA-N 515.027 5.079 50 10 KKGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 1083880274 IPQOTICPNPVAMZ-UHFFFAOYSA-N 518.751 5.362 50 10 KKGE O=C(NN=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2cc(Br)ccc2o1 1084012729 SJLVBJHGDHXOMX-UHFFFAOYSA-N 517.339 5.870 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 1084034178 YPNPVMWDMYVJKO-DEOSSOPVSA-N 702.302 5.977 50 10 KKGE O=C(NN=Cc1cc(Br)c(N2CCOCC2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1084114663 GGHNNMXOQFXSCG-UHFFFAOYSA-N 527.463 5.502 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1 1084254888 KAHGVMGMQZLCOE-QRVIBDJDSA-N 507.590 7.177 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1 1084363546 QZPRKFBZZGLOBT-VWLOTQADSA-N 555.469 5.708 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084414223 YSJKJVHDTBNZGL-UHFFFAOYSA-N 576.436 6.628 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1)S(=O)(=O)c1ccccc1 1084444635 DLVUWZQAEPCUFM-UHFFFAOYSA-N 690.063 7.978 50 10 KKGE CCOc1cc(Br)cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c1O 1565517609 SDFKLLXXRSBBMX-UHFFFAOYSA-N 550.450 5.705 50 10 KKGE c1ccc(P(=Nc2ccccc2SSc2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 1615948040 PSJXUSGDNAVJQU-UHFFFAOYSA-N 768.928 12.104 50 10 KKGE C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718569 HUENDTWGORXFCR-BHKMZNRGSA-N 567.926 6.062 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747330 GLVGCZCZADGDHQ-UHFFFAOYSA-N 578.796 5.002 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682685 VPOMIROHKYLEKE-VWLOTQADSA-N 555.476 6.826 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687724 YVZCVBZJXBNYLS-HSZRJFAPSA-N 529.394 5.543 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865694606 ZVDOEQPZAGYPCD-QHCPKHFHSA-N 507.432 5.984 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865703453 VWLNDVDJQKJBLD-NDEPHWFRSA-N 561.469 6.743 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704218 QJYJTOGWPWSIDH-GDLZYMKVSA-N 519.004 6.785 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1OCc1cccc(C)c1 1865704694 CCCBRMWEOKLXBK-HKBQPEDESA-N 568.677 7.021 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704979 JIRZUMYXAAWLCZ-VWLOTQADSA-N 576.440 5.973 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865704985 JOVJSEQVQIXFDW-NDEPHWFRSA-N 540.579 5.985 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705030 KJEKOIYOKNFZIN-AREMUKBSSA-N 561.469 6.919 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706380 VHCIBRPTEPJJSV-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1 1865706755 DVLUUJBUFZESBJ-NDEPHWFRSA-N 510.041 6.138 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711710 GKJFBTUFFWMRKH-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)OCc2ccccc2)c1C 1866129712 HKWFVYCDMOJJSA-XDHOZWIPSA-N 508.983 5.789 50 10 KKGE O=C(CCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)N(CCCl)CCCl 1866340153 ZKGKTEMUSLSRDN-UHFFFAOYSA-N 672.821 5.419 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)n2)cc1 1867071434 VGGXJHMISPMRHT-HHHXNRCGSA-N 528.659 5.821 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 1872744476 UNXHHVSFRKMHGQ-PNHLSOANSA-N 505.599 6.740 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793142 KLBGAMPWMXWYEK-XIEYBQDHSA-N 521.041 8.899 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cccc(OCc3ccccc3)c2)s1 1900924656 OBFJFFSZJGFLJE-QGZVFWFLSA-N 519.629 7.069 50 10 KKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068476 RZFILOSKWXFSCA-IYSWYEEDSA-N 501.487 5.187 50 10 KKGE Fc1cc(F)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924592071 WEAIOXAZQRUPJU-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE CC(C)(CBr)Cc1cc(I)cc(I)c1I 1951661067 RTNPMFVVXCMFCT-UHFFFAOYSA-N 604.833 5.464 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2sccc2I)c1Br 2024293282 GOZUEYNAFIIUBN-NSHDSACASA-N 550.879 6.670 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)sc2Br)c1Br 2072303027 RQURVZZGODVQEL-QMMMGPOBSA-N 521.898 5.816 50 10 KKGE FC(F)(F)c1c(I)c(CBr)nn1-c1cc(C2CCCCC2)ccn1 2078930072 RGGPWJMGKKASLS-UHFFFAOYSA-N 514.127 5.833 50 10 KKGE COc1cc([C@H](N[S@@](=O)C(C)(C)C)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c(P(c2ccccc2)c2ccccc2)cc1OC 2080770906 OQAYJVXDXWZFGS-OUCNJGTRSA-N 673.900 8.207 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1csc(I)c1 2082859504 RMVNGSVMTLPWEG-NSHDSACASA-N 522.427 6.262 50 10 KKGE Cc1coc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2085494124 KFMDAYYQQQCRQW-LBPRGKRZSA-N 566.707 7.122 50 10 KKGE CC(C)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496942 YTPSIWMRLZWLHB-NFNXHLSSSA-N 524.316 7.309 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@H]32)c1Br 2166119408 LNFSNZAXUKURHB-BTQIBKBOSA-N 549.992 8.078 50 10 KKGE Clc1cc(Br)cc(COc2c(Br)cc(Br)cc2CBr)c1 2166826933 RQKQBQZTXWQGPO-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE FC(F)(C1CCCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394925 KLASOKGOFMNJEL-GFCCVEGCSA-N 560.296 7.842 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1I 2217865721 XNNDPQIWTROXFZ-CQSZACIVSA-N 544.850 6.609 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(I)sn2)cc1C 2220437212 IWWAEJHIAJYYRW-LBPRGKRZSA-N 502.997 5.312 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2246465176 JNUREOCEVAZHBN-BYPYZUCNSA-N 609.222 7.997 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)c(I)c1 2268283237 BUWZLLBFRCPAGM-RTHLEPHNSA-N 515.414 6.342 50 10 KKGE N#CC(=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2294147025 XUYBTIWOPKUKSO-UHFFFAOYSA-N 507.352 6.272 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc(Br)cc1 2295669939 OSFBWUNPXZBXAA-UHFFFAOYSA-N 513.391 6.736 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296506743 CGVYTGAQEVVDFD-HSZRJFAPSA-N 522.457 5.779 50 10 KKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297477285 LNOMEYYICDATDC-UHFFFAOYSA-N 507.163 6.013 50 10 KKGE CC(=NNC(=O)COc1c(Br)cc(Br)c(Cl)c1Br)c1ccc(F)cc1 2297604829 ADLARKYNYADFCR-UHFFFAOYSA-N 557.439 5.686 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1 2313518218 UZPGBFRNSAAWJA-UHFFFAOYSA-N 552.412 6.350 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1C#N 2313567769 OJNKQHOVAQHWBK-UHFFFAOYSA-N 571.475 5.554 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 2314476789 VYKTUKNPHJFERB-JWQCQUIFSA-N 579.726 6.060 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592612 YOTOKUMOWJQZNW-VWLOTQADSA-N 552.483 6.766 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593478 NNJXTOCBQJZYLP-NRFANRHFSA-N 500.451 5.845 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314594118 ZIEKMOCFRPCMNC-IBVKSMDESA-N 516.066 6.261 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618274 KNGHWCKWGSZISG-RUZDIDTESA-N 556.666 7.072 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 2314634305 ABCSUTLRPKWKDB-MGBGTMOVSA-N 542.635 7.613 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 2314772570 JZFFRNGSCMDFKN-UHFFFAOYSA-N 522.985 5.546 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 2316172242 RKZVUDIRKIJZDY-NSHDSACASA-N 537.962 7.534 50 10 KKGE Cc1ccc(C(=CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329607744 BTCAEUHDJKMXQK-GDLZYMKVSA-N 541.742 6.727 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331260220 QGGYEXZWHALREJ-NRFANRHFSA-N 505.621 5.338 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334023 YNQXQKILBLBVMB-UHFFFAOYSA-N 514.990 7.277 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)c1 2331376602 XILNAVSOUZFYKR-INIZCTEOSA-N 517.607 5.952 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331385347 VUVNOCQOUKPELL-SANMLTNESA-N 505.599 6.127 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331396595 SYKZMEUSPPVBFZ-LLVKDONJSA-N 500.363 5.603 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331405570 YMBRCKUMSRKUGG-ASSNKEHSSA-N 512.418 6.620 50 10 KKGE Cc1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc(Cl)c1Cl 2339051956 FLPHQAHQPQZBSK-HXUWFJFHSA-N 515.072 8.128 50 10 KKGE Brc1cc(CC[C@@H](Br)CC2CCCCC2)ccc1I 2349835177 IRPOSMPRBICXTQ-CQSZACIVSA-N 500.056 6.720 50 10 KKGE CC(C)(C)[C@@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2377331582 JVGVVCMGKGSWKR-MRXNPFEDSA-N 515.071 5.687 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OC(C)C)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 6167543 KRAFZMZSSIATFU-CRFSKVIOSA-N 621.756 6.015 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2OCCOc2ccccc2Cl)c1 33404401 JHXYZIROPWRETD-PDGQHHTCSA-N 501.797 6.959 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655491 UZCZBRTWLMTGID-SANMLTNESA-N 523.416 6.493 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 38660361 BMVOJNTXAIAYHC-PMERELPUSA-N 528.605 5.631 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701031 FQYXKHLVMNFPEG-MHZLTWQESA-N 508.574 6.584 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 40530330 ZHUWMJTWALIJEQ-VWLOTQADSA-N 500.938 6.149 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)oc2ccc(Cl)cc12 40547513 WGMNEMHIEYZVTB-HSZRJFAPSA-N 501.882 5.740 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1Cl 40813692 NQYKCZUUNFKMHA-VUTHCHCSSA-N 504.801 6.579 50 10 KKGE CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)Cl 59451133 LJRRLTAGSAPCDC-UHFFFAOYSA-N 528.350 12.610 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100190875 LJSXSQUYGUBABL-UHFFFAOYSA-N 570.509 5.256 50 10 KKGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCc2ccccc2)c(Br)c1 100212803 ROIOVXYZEFYMGA-UHFFFAOYSA-N 588.527 5.538 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 100327280 LYFKAVCWNBZZIU-KJTWNORHSA-N 547.449 6.154 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 101012764 BQYMSCSYBNDFKI-QQXSKIMKSA-N 558.686 5.684 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3ccccc3oc2=O)cs1 101034188 OZOWNZPORMYNKB-JJIBRWJFSA-N 548.627 7.987 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 101034200 QFBALOWOZUATQI-HMMYKYKNSA-N 519.948 6.800 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cncc(Br)c3)CCC4)c2n1 101113218 YEZUVZVUURGLLO-NDZAJKAJSA-N 533.382 5.292 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241269 QJAOVJVEZUIYCC-UZEPBSNMSA-N 551.590 5.847 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242238 LCZUOYFACYBTNN-NLTRVXJZSA-N 550.478 5.908 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 101340369 ORCAKOHQZTVPQW-WGOQTCKBSA-N 543.019 5.771 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101376586 OYHMJYAZQAQHCV-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379274 HGKFIKGVLATBBO-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380644 UCAAUDHOKQPDHF-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384860 WVFBJEVMAGCOKD-YTTGMZPUSA-N 615.513 8.045 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101386866 MWIASXRTNAPQTO-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)sc2c1 101391399 AOQTYOIKUBIGPI-QFIPXVFZSA-N 551.849 7.063 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)oc2cc(Br)ccc12 101394390 YYSWYMASDOFYOS-JOCHJYFZSA-N 570.226 7.248 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 101395645 MCFLTJUQUQDGBQ-XZWHSSHBSA-N 556.615 5.618 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397861 PBYHVLBYGCUQHS-MHZLTWQESA-N 617.485 8.364 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 101399249 QWOSKDWYXNXBAE-PMERELPUSA-N 603.458 7.027 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602193 NSNRQZMNFHQLEP-IWBSIUBASA-N 568.973 6.378 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1 103755236 RKRQTWFXONDWJO-YBFXNURJSA-N 556.254 6.653 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 103797324 UZMAASNICZQFEC-KVSWJAHQSA-N 576.672 7.263 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1cc(Br)cc(Br)c1O 105681709 DXOBUSPROXAEEP-UFFVCSGVSA-N 529.279 5.550 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@H]2CCC[C@@H]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C 106804754 AEYODSVVEHKWAU-ZAMZPHDNSA-N 594.801 10.075 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)sc2Br)c1 131991369 VBNRILJFWRYCMH-LLVKDONJSA-N 503.879 6.828 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 150410995 PBWHEGIRXHFEHA-GPMZVODXSA-N 669.557 5.227 50 10 KKGE COc1cc(CNNC(=O)CCCCCCCCC(=O)NNCc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150413441 VYXRZVMAQTUSDR-UHFFFAOYSA-N 890.984 6.256 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 150428500 HSFIWVYEJZLKIV-BIRDKGHYSA-N 706.202 7.302 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484848 SUBDMWSRDLCBMB-LJAQVGFWSA-N 652.328 7.781 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 150496199 LHUMPYROLVPWTD-WEMUVCOSSA-N 649.773 5.413 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 205667827 VGQUOOLYKCSDQD-JYUCFETQSA-N 574.633 6.428 50 10 KKGE Clc1cnccc1C[C@@H](Br)c1cc(I)ccc1Br 236036176 MLUSCSZPVQUKOK-GFCCVEGCSA-N 501.387 5.781 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccc(C)cc2)cc1 254401593 CNSXXEPYNTUTDV-UHFFFAOYSA-N 557.679 6.800 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254434883 QXPJOZSUIQTAEQ-UHFFFAOYSA-N 609.808 7.361 50 10 KKGE CC(=NNC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 254507651 DBQZHMXYOBBZMQ-NRLRRCJSSA-N 541.720 7.857 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1 254565831 CDGXVHMOCDJJLB-UHFFFAOYSA-N 601.078 6.267 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(O)c1 254750771 BSVYGMXRIVZBSI-UHFFFAOYSA-N 520.703 5.553 50 10 KKGE C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019045 HQTPQCQTDUHGQA-RSQDBTLOSA-N 552.120 6.179 50 10 KKGE Cl[P@@]1(Br)=NP(Br)(Br)=NP(Br)(Br)=N1 263632844 BGYSZBSLCSDYFJ-UHFFFAOYSA-N 569.916 8.052 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232213 FTUXKEAMZSWESO-WKNQBOJYSA-N 677.433 6.812 50 10 KKGE in-vitro O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3cccc(-n4c5ccccc5c5ccccc54)c3c2c1 642813748 PBBJKHRXVXUCOR-UHFFFAOYSA-N 533.567 8.323 50 10 KKGE O=C(N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 888085999 RNCKSVHRHGEVDE-RRPNLBNLSA-N 565.453 5.925 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1083936768 ILWLCFANBBVRKF-JOCHJYFZSA-N 501.808 5.645 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084122696 RUIHWDNKFLEPPI-OQLLNIDSSA-N 571.085 8.187 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084376484 YZVICYXTMXMFMJ-UHFFFAOYSA-N 699.545 7.497 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084459147 VRAUZMMXCPAXKN-UHFFFAOYSA-N 616.765 5.795 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 1084563402 NJLCTOIYVCHHNU-QFIPXVFZSA-N 526.247 6.843 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 1084651836 QDCNQCJDJFLIPS-UHFFFAOYSA-N 563.907 5.723 50 10 KKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]32C)[C@]1(C)CCC(=O)O 1534688736 FQGZRIVWYITDFN-UFPKGELMSA-N 680.876 5.263 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)C1 1554268843 NQJVJZDNONBYCG-NHNPKLJZSA-N 562.699 6.146 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(OC(F)(F)F)c2)C1 1614689734 FCLXEBXGQVHNDY-SJLPKXTDSA-N 505.274 5.372 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 1772720721 SXRXCFCIUYFYBE-UHFFFAOYSA-N 508.416 5.347 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OCC 1865687712 YMFIYYVELQZKLE-RUZDIDTESA-N 502.615 5.764 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865695782 HEWYZGXCSWOHIG-MUUNZHRXSA-N 520.633 6.725 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865702970 JTWVIQXPKULKRF-RUZDIDTESA-N 547.442 6.590 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707365 VJOSVYYVHQTEHO-MHZLTWQESA-N 564.086 5.342 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707401 WGJDSCPLAIRACQ-VWLOTQADSA-N 528.996 5.496 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865708766 FRLCYOPHCCHIEH-HSZRJFAPSA-N 512.953 5.206 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865714402 JOQQUZWOSMKJFF-JOCHJYFZSA-N 552.259 6.886 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117752 UZYBGERQBYRZAZ-JYFHCDHNSA-N 507.606 6.374 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)n2)cc1 1868320176 DUDCNVIHXSANPF-SANMLTNESA-N 510.598 5.585 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1OC 1868341850 BEZUKARNXPLPEE-IRLDBZIGSA-N 519.671 5.810 50 10 KKGE CC1(C)COC[C@@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868457056 YCPKANUVRNCKQL-RUZDIDTESA-N 525.653 6.826 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)N(CCCOC)[C@H](C)C3)n2)cc1 1868528344 RABODACTPPSQPU-FGZHOGPDSA-N 532.714 5.795 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cc(OC)c(OC)c(OC)c2)n1 1872751817 VIGXBMVLCJOUDD-NEUFDEOWSA-N 506.624 6.648 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(N(CC)Cc4ccccc4)cc3)n2)c1 1872792585 HCCWZXZRICHPRZ-XIEYBQDHSA-N 509.675 7.698 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)ccc1OCc1ccccc1 1872794819 YGJBYWHDIJMRHZ-KEBDBYFISA-N 523.441 7.777 50 10 KKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915131586 YDJQAVUUPNAEGH-CYBMUJFWSA-N 506.609 5.714 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924608197 FHQVPYPMUCESJE-SSDOTTSWSA-N 556.314 7.460 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]2Br)c1Br 1995046751 APUUVODNONCOPG-MSIVUJLLSA-N 605.582 6.956 50 10 KKGE Cc1cnc(Oc2c(I)cc(Cl)cc2I)c(CCl)c1 2101013056 YOPIBUWXZNVBIM-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Brc1cc2c(c([C@@H](Br)Cc3ccccc3I)c1)OCC2 2143869330 XWOJZASGMLKLAC-AWEZNQCLSA-N 507.991 5.667 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2179258292 CFIANAHXQUWERG-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(I)ccc2F)cc1Br 2202348512 ZGGSNONISIYIHA-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1Br 2206393934 CTGONWPMKONINB-LFLRCTCGSA-N 598.749 5.834 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1F 2206406305 XTISDLMECUVKOS-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 2206571907 UEPAMUMIJVLBCB-CQSZACIVSA-N 574.876 6.618 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 2264364608 JYMWZUQXGGOMHJ-CQSZACIVSA-N 534.844 7.153 50 10 KKGE COc1c([C@H](Cl)c2scc(Br)c2Br)cc(Br)c(C)c1C 2284582479 GDIWJRNTVXUNTA-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE Cc1cc(C=C(C#N)C(=O)NCc2ccco2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 2294172025 UYVBADUFXWFGEJ-UHFFFAOYSA-N 524.646 6.103 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1 2295489457 CQSCRDTVEHKSFB-UHFFFAOYSA-N 548.643 5.261 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(Br)ccc1I 2314497680 MPGNECNNFVBLGY-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Br 2314618069 GPIFHYDBTXOWCX-UHFFFAOYSA-N 569.415 5.696 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2316709303 KBFJKNSBOPRJLE-INIZCTEOSA-N 549.488 6.615 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1c(Cl)cccc1Cl 2331051652 WXKBPDJSEUYUFZ-UHFFFAOYSA-N 513.333 6.325 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1F 2331336874 FXRWAZJPIIXZMJ-UHFFFAOYSA-N 511.534 5.704 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2338031505 KPXSFKXOGVFVAQ-CQSZACIVSA-N 534.482 7.205 50 10 KKGE Cc1cc(Br)c(CCl)c(Oc2cc(Br)cc(I)c2)c1 2338885345 PPATWWGYAQPWJP-UHFFFAOYSA-N 516.398 6.656 50 10 KKGE C[C@H]1CCC[C@@](CBr)(OCc2ccc(I)c(Br)c2)C1 2350054385 ASFNKVKACBQMBZ-XHDPSFHLSA-N 502.028 5.914 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cccc(Br)c2Br)c1Br 2362229577 UNGQMXVYTWMBAC-LBPRGKRZSA-N 570.703 7.857 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1 29492069 YXURICVJYSILPT-JBASAIQMSA-N 620.713 6.770 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 33424008 SUBDYAISTZSWAC-SDXDJHTJSA-N 519.579 6.298 50 10 KKGE COc1ccc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)[nH]c2c1 33475719 UGTJVTUFTLTYHI-GZTJUZNOSA-N 503.356 5.416 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCCC(C)C 38660344 BDTBPVANJIAYLA-HHHXNRCGSA-N 518.997 6.211 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38681117 NYLIZAWHPSZGIG-GDLZYMKVSA-N 512.562 5.079 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 40928714 DEYIKHWEKRYMHH-VDYLEKFBSA-N 525.561 5.203 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 58889502 UFNMNTPKBOHKSI-OADPBGPJSA-N 501.366 5.235 50 10 KKGE Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1 96476212 YXQUWGGOMLBKRW-PDGQHHTCSA-N 508.347 5.460 50 10 KKGE Cc1ccc(N[C@H](NC(=O)[C@H](C#N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)cc1 97983094 ITOZWTVMTPIRSL-LMSSTIIKSA-O 581.891 6.106 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCC)c(Br)c2)cc1 100164051 JLBJIQJUULOGFO-UHFFFAOYSA-N 550.519 5.536 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2C)sc2c1CCCC2 100209843 PGZDUXFOYQDNCR-PDGQHHTCSA-N 542.488 7.064 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 100228433 CQXABQMITDQATE-MPTKSEEOSA-N 558.416 5.233 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241000 ABDWNFULXMYUJB-MZTUTTDZSA-N 550.511 6.859 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246135 HZOIOBYFRBYANJ-GOHCDNDPSA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101338973 HDXCXERMAIZSFE-RUMWWMSVSA-N 568.677 7.043 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101341011 VWPOZNORPBCGNW-NDZAJKAJSA-N 586.648 5.582 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 101363903 SQIWQNXDISMCGD-QUGAMOGWSA-N 533.422 6.164 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365187 UIIKJODVICQXKA-YYFLCNPESA-N 532.210 7.137 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 101368102 CPVHNCXOTIFWEG-HKBQPEDESA-N 542.632 6.084 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383668 PQBPRHCHCNENOM-PMERELPUSA-N 591.422 6.914 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(C)cc1 101385266 OKHWTRQUVXDDBN-MUUNZHRXSA-N 524.598 6.082 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387454 RYUHAAZONQTVKS-GDLZYMKVSA-N 591.422 7.157 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101392802 WWOIHQQNQZPVGU-QFIPXVFZSA-N 553.423 6.663 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101392843 LSILGSPHLFUQTI-RUZDIDTESA-N 561.388 5.958 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)CC1 101392978 IWUIDMGUEKEJPV-LRFHKSSFSA-N 566.698 7.394 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc(OC)c1OC 101393493 WDVYFXWDWKGHST-RUZDIDTESA-N 591.414 5.967 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)oc2c1C 101394131 TWAGDJCUBXQLAL-XMMPIXPASA-N 529.390 6.558 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101395175 YWBUNVCRIJBOMA-VWLOTQADSA-N 528.948 5.927 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597352 NPQVLLZEDSVWMS-NOBHLTQKSA-N 536.548 6.634 50 10 KKGE O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101631413 PBMQCVPLFPVYAT-SLMZUGIISA-N 533.209 5.202 50 10 KKGE CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 103123418 ITVPYDDKDGMVHX-UUMRFZBWSA-N 534.410 5.537 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Br)cc2)cc1 103741589 XBVJJXRSUSFIEQ-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccc(Br)cc1 104768799 UZJCZZKWNCRBDE-STBIYBPSSA-N 565.497 5.023 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1csc(I)c1 124445606 JRLHUORAKQSLED-ZDUSSCGKSA-N 502.009 5.917 50 10 KKGE CC(C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@](C)(O)[C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 140970317 IFHPYSVGNHWKDY-TXODIXIKSA-N 605.651 5.184 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150388452 MOUPMRGWZAWKDP-UHFFFAOYSA-N 656.784 5.146 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 150428888 QIOJLOMCJFLVDJ-JGCGQSQUSA-N 645.539 8.116 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1 150599135 MJGYRNVFZMFNCP-LICLKQGHSA-N 732.097 6.625 50 10 KKGE O=C1C(Br)=CC(=CNNC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)C=C1Br 161192251 JYWCJIFGFXWIBK-UHFFFAOYSA-N 716.426 7.682 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 164004189 INZXJJTUXBGUTK-CMNXJCJSSA-N 808.368 5.625 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5ccc(Oc6cccc(Oc7ccc8c(c7)C(=O)N(c7ccc(Oc9ccc%10c(c9)C(=O)OC%10=O)cc7)C8=O)c6)cc5C4=O)cc3)ccc21 164056084 RPEWDNJUJJECOS-UHFFFAOYSA-N 876.742 9.078 50 10 KKGE O=C(Nc1ccccc1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 169639427 GGNHSAPYNLPQEX-UHFFFAOYSA-N 684.716 7.708 50 10 KKGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 169678448 PHPIJWJXDIZVDV-YBZFOXLFSA-N 584.138 5.424 50 10 KKGE CC(C)(c1cc(Br)c(OC[C@@H](O)CCl)c(Br)c1)c1cc(Br)c(OC[C@@H](O)CCl)c(Br)c1 196348330 RPEKWRMKDVUCNG-KBPBESRZSA-N 728.925 7.020 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 196945025 AOXWVTIMEGOVNF-KYSOOIGTSA-N 763.964 7.170 50 10 KKGE Cc1ccc([C@]2(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)cc1Cc1ccc(-c2ccc(F)cc2)s1 199906988 YZFQLHRSWVLYNM-BOYYEFAASA-N 749.255 9.509 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 214240204 IZAAGDKUORZIOL-RRAHZORUSA-N 536.676 6.809 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 214385125 LBHNRLUFFZHVEG-QRQIAZFYSA-N 586.648 6.158 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 232561109 VAPKJLIAAUSCEJ-MRXNPFEDSA-N 508.035 6.836 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Cl 235020841 HDSFHJSYSNRTHE-CQSZACIVSA-N 506.392 6.697 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1OC 252621080 MSJIWXJGIRIFQG-UHFFFAOYSA-N 582.000 5.278 50 10 KKGE COc1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)c1 253578453 YJAXLZOUGDZPNR-WEMUVCOSSA-N 513.686 6.425 50 10 KKGE Cc1ccccc1C=NNC(=O)CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1 254416562 JILDWIFYNPLZMS-UHFFFAOYSA-N 582.471 5.035 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254531977 SHWFPFKZQTULME-SQIFRWHFSA-N 555.704 6.157 50 10 KKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254820824 FZSSOZSYICSCFT-UHFFFAOYSA-N 539.860 6.480 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019416 ZWWUASGAUGUJJG-YYHXBEEPSA-N 972.087 10.526 50 10 KKGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028569 VPWWTQQZJYFVBL-UHFFFAOYSA-N 577.570 6.568 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 256825138 QNPRMZLAAWKAPQ-DZTNRWDGSA-N 787.990 7.753 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 302369957 LRXAYMBASCLZOR-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(I)cc2c1OCC2 302467281 FNQIHLMGWJXGEP-LLVKDONJSA-N 534.438 6.141 50 10 KKGE Clc1ccc(I)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382692917 AKCYKRNFHXFGOC-WMLDXEAASA-N 537.610 5.595 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(O[Si](C)(C)C)=C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C 504821474 LLDQVINTBNWOHR-YNKDVIMQSA-N 591.038 9.580 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C 504823464 XFDOVQPSOPEMRW-JOCZMAILSA-N 520.871 7.596 50 10 KKGE O=C(Nc1ccc(F)cc1)OC[C@@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238433 ISJUAAJZYWNQPI-DEOSSOPVSA-N 525.001 7.241 50 10 KKGE CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCC/C=C\CCCCCC 888086732 VSGJCNIAOLHTIR-DWCRPSDDSA-N 583.338 11.195 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(c1ccccc1)c1cccs1 1083844347 QGALPLKHNRFNAJ-LJQANCHMSA-N 502.669 5.187 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1F 1083923286 XLCMJXJXYYLFCO-UHFFFAOYSA-N 522.374 5.730 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 1084082564 UQIXFTABAYANGY-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)S(=O)(=O)c1ccccc1 1084224888 PCIIJLNTIABQHH-UHFFFAOYSA-N 629.094 6.976 50 10 KKGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)cc1 1084501893 BOFCSCSVRWVFMW-UHFFFAOYSA-N 621.115 5.096 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084629593 HAACPDXGBJEPPC-UHFFFAOYSA-N 587.698 5.409 50 10 KKGE CSCC[C@@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1614020085 KLAKFJKNMVXNLS-PCZUFMDJSA-N 583.007 6.455 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1772755299 ZWOUIVGPEMYDHQ-UHFFFAOYSA-N 651.435 8.100 50 10 KKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3cccc(OCc4ccccc4)c3)n2)cc1 1860567513 YVQLSFVHCZVBNT-SFQUDFHCSA-N 506.587 6.138 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690463 RXTXVHORTCCQRT-SANMLTNESA-N 538.529 6.841 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865691729 ZOJRMEOGWOXEQV-SANMLTNESA-N 507.034 6.079 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865691819 BTWFJGJKEQHWPJ-XMMPIXPASA-N 571.903 6.452 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693440 OOXKWKWXNFRTSI-MUUNZHRXSA-N 520.633 6.320 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695372 NWZYTQPKALPGKL-PMERELPUSA-N 575.068 7.058 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697599 XPRKILXRYNDBSO-SSEXGKCCSA-N 534.660 6.041 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 1865701140 MWNLUNHQTUFINF-HHHXNRCGSA-N 530.987 5.838 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702417 VHBBHMHPFDIEGJ-QHCPKHFHSA-N 504.924 5.757 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705978 LBOAIRMLKIFZMD-RUZDIDTESA-N 519.948 6.472 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709147 PBPCNEMDMWZCGA-NDEPHWFRSA-N 578.113 5.732 50 10 KKGE CCCC[C@H](NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207563 JMKAMCRUPSCFOE-GGAORHGYSA-N 546.531 6.474 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)n2)cc1 1868320268 GMYCEPUJMXOKMK-HSZRJFAPSA-N 555.729 6.459 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872754566 YWMLWDYQJNILCT-UZYVYHOESA-N 516.450 6.646 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)ccc3OC)n2)cc1OCCC 1872817994 HFTYBPSVOSAABN-HIPYIAOTSA-N 506.624 6.911 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(I)cc2)c1Br 1922933708 YPHPZALVXRVBON-JTQLQIEISA-N 506.428 6.514 50 10 KKGE Cl[C@H](c1cc2c(s1)CCCCC2)c1c(Br)sc(Br)c1Br 1924602407 WXWWZWVMDJPEKQ-GFCCVEGCSA-N 519.549 7.694 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(CCC3)C2)c1Br 1924607966 BKRAPBZMTPHVBO-QMMMGPOBSA-N 507.911 7.052 50 10 KKGE O=C(c1cc(I)ccc1F)N(Cc1ccccc1)C1(CBr)CCC1 2003650354 UPIMELZDVXQWTL-UHFFFAOYSA-N 502.165 5.390 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)sc2Br)c(Br)nn1C 2014561017 YDOHZIKZARGUKC-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 2026219543 XAZUOGLVZAHRNY-SFHVURJKSA-N 565.087 6.116 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)s1 2029239969 YHDRNQJGIKVGNM-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2050467634 NVBJVBYCMMPIJX-MRVPVSSYSA-N 500.385 6.889 50 10 KKGE C[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493563 DCULNXYOKYOUQF-FRSIUCEKSA-N 524.316 7.453 50 10 KKGE C[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499924 LIMLREOJYLZNLU-CLTAVNFZSA-N 582.672 7.371 50 10 KKGE CC[C@H](C(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500481 OMDQKUMKRLDLMO-HQJQHLMTSA-N 570.783 7.855 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1ccccc1I 2087568981 BAGOYWDIZJNNFU-JTQLQIEISA-N 518.389 6.525 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2111086265 GYRJEESXKRGSQH-JTQLQIEISA-N 572.769 8.088 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Cl)c1c(Br)sc(Br)c1Br 2163395155 FIEDRUFKZJZXTI-RCOVLWMOSA-N 513.467 7.531 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c(F)c1Cl 2201612040 WJRRBTDQNYTCCU-LLVKDONJSA-N 509.797 7.234 50 10 KKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398592 WOUDPBMMXMCCIL-GFCCVEGCSA-N 596.821 8.245 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)c(Br)cc1[N+](=O)[O-] 2225703610 BRSQTVBTARNDHU-UHFFFAOYSA-N 531.292 5.438 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)cc(C)c1Br 2227420020 BGQFYEYELPMMBF-LBPRGKRZSA-N 531.933 7.445 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 2235609037 MJQCHQXVUMQRPB-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(F)cc2I)cc1I 2269540920 CEANSLORFCIAMX-CQSZACIVSA-N 502.492 5.372 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 2272726560 PJVPFILSNCYUSY-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cccc(I)c1 2285074695 LTSQNGJMZLGXOG-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(F)cc1 2296964709 QVTQUBUKIGYADW-UHFFFAOYSA-N 504.867 6.631 50 10 KKGE O=C(C=Cc1ccc(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)OCCO2 2297730989 APRBCPXBUMKTGD-UHFFFAOYSA-N 627.741 8.287 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(F)cc1 2313557258 YIVZLSVRJPAPRK-UHFFFAOYSA-N 548.412 5.923 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1 2313565370 ZCYPFNQMYHMEFI-UHFFFAOYSA-N 546.465 5.683 50 10 KKGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313570619 BFPNPNMGOKDNRM-UHFFFAOYSA-N 589.213 5.484 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1 2313571124 NUWRWVPBGBPFPE-UHFFFAOYSA-N 642.118 7.794 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 2313681258 YTKOSDIVTYYXGZ-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314591753 CZDRBHLOKRLXQH-SANMLTNESA-N 516.066 6.837 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCC)C(=O)C(C#N)=C2C)c(C)c1 2314610891 NZIZHZWQLHSBFK-UHFFFAOYSA-N 506.606 5.805 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314619532 ANVRXJXUOZUOKZ-UHFFFAOYSA-N 566.658 5.572 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314621008 YMZIJVFCVGNLNX-UHFFFAOYSA-N 586.648 5.664 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643153 FBGQANWEZCGLAW-XIFFEERXSA-N 579.052 7.073 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@H](C)CCC3)cc1OC 2314753618 CMMJIQUQSZDESU-LJQANCHMSA-N 524.683 6.878 50 10 KKGE C[C@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325106802 CSNADTILSRANKV-VWLOTQADSA-N 504.678 5.557 50 10 KKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cc1 2331123502 HXOJYNNIKHAUED-UHFFFAOYSA-N 504.608 5.698 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 2331311102 PSDMESJDLMTIJY-UHFFFAOYSA-N 516.579 5.984 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OC(=O)c1ccccc1 2331414082 DUYZERNVTIAUQS-UHFFFAOYSA-N 514.606 7.769 50 10 KKGE C[C@H](Br)C[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349828103 KOHSEQGVYCIIMA-AAEUAGOBSA-N 501.044 5.582 50 10 KKGE CC1(C)[C@H]2CO[C@]1([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2359838364 MFIRBZGXXPQIJQ-UHYRQXHGSA-N 596.777 6.988 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361199999 FWSDLYKCRAKQLU-AZUAARDMSA-N 500.221 7.680 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Cl)cc2I)cc1Cl 2363883307 XMWYYYRHLAUKAL-JTQLQIEISA-N 515.947 7.163 50 10 KKGE CC1CCC2(CC1)[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Br 2364267280 IGRSAZBGNCWBFF-YNOKFWAISA-N 514.039 6.165 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(F)ccc1Br 2365186926 VUQNVWDYELHGKA-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 14029127 OORKYNUFMDEOIY-HNNXBMFYSA-N 512.459 5.056 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 15015413 YPUMCYQSCNKYEZ-WAOQMYBISA-N 514.379 5.630 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 29503122 NWTWZXVUYKMJET-MDKJGWJPSA-N 621.184 6.198 50 10 KKGE COc1ccccc1OCCn1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21 33670249 WLJNWKPFWCLXHH-FXBPSFAMSA-N 521.602 5.897 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660802 XPDQNDDNNYYQJE-SSEXGKCCSA-N 504.542 5.990 50 10 KKGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40650611 MDGKEZARTQRYIS-UHFFFAOYSA-N 509.353 5.650 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914806 QMKNCJMHSFUNTJ-KNFYQODVSA-N 515.094 5.530 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97915151 WUIBNRWCODDFPN-LJAQVGFWSA-N 517.154 7.094 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869686 DMBICMPGLKATNC-AASYHSMQSA-N 541.000 5.201 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245316 HJRBPGKIOJMYEU-NNHPPCHPSA-N 536.484 6.984 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337009 VZQIFXTUKIZWIO-INFHVPRLSA-N 564.686 6.270 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C2=O)cc1 101339876 ZIJKAWAATNWHLB-UZWMFBFFSA-N 586.692 6.765 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101368020 NZLMZZSJPPOTNO-GDLZYMKVSA-N 574.630 5.727 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101368352 ZPAMJGQFPIWIGG-SLQAJWMNSA-N 546.595 5.850 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 101378112 AKNYNOLYTIOOML-PMERELPUSA-N 526.633 6.872 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379490 CSNBFZBBIOAEFJ-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 101397179 DCWKMTZGPCMNRA-SSEXGKCCSA-N 536.628 7.528 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2cc1Cl 101397582 JCLHUWXFHMXNPL-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399750 MLYHSMVEZJMHRU-JGCGQSQUSA-N 625.052 7.949 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 101712916 FZEMSRAENJHZKJ-XAZZYMPDSA-N 594.333 7.170 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 102009870 LFPZTTOTASNASD-PPDIBHTLSA-N 532.474 6.433 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 103806247 BDDDSLDRMQAHGR-IBBHUPRXSA-N 606.060 7.164 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Br)cc1 104768110 CUAANBSJKVCOEW-ZTKZIYFRSA-N 548.510 5.838 50 10 KKGE N#C/C(=C(/C=C(/CC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 107165622 LRFDSPRXRVHFMM-NGWFYZAESA-N 504.973 8.039 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 150478831 BZKINPYQANVXHP-PNQUVVCRSA-N 620.953 7.195 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 198122402 STDWDYDOHOANPV-VWOMZYIMSA-N 950.167 7.570 50 10 KKGE in-vitro CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1OC 206694596 IKKBYRQMHYWIED-MOHJPFBDSA-N 576.715 7.422 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 236066040 BHZBJKBVXPPKAN-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 236069053 PNXZRNLQRLRUJJ-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 254716338 ZIOPTNAQQBNLAA-NPHWWRDTSA-N 649.788 5.330 50 10 KKGE Cc1ccc(S(=O)(=O)n2c(C=NNC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc3ccccc32)cc1 254795870 QZUBFRXGIRQJJT-UHFFFAOYSA-N 573.759 6.570 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 616674568 GJGOCDUJSPHMGR-AREMUKBSSA-N 507.772 6.982 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616679889 ZXVZBFVYMHQXJM-MUUNZHRXSA-N 511.899 8.178 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c1 725379453 OJOMRENXIBMWGN-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@H](C(=O)Nc2ccc(-n3cc(CNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]45)nn3)cc2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 1082548620 DFYPXYLXXBRPOO-RQKHEUQJSA-N 927.617 6.228 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 1084107303 SMVRVIFLWJGIGI-UHFFFAOYSA-N 521.770 5.358 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 1084121994 RHYIKRQEHOQGBJ-LPYMAVHISA-N 505.412 6.589 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 1084133200 YARXEKRHSOSMNG-UHFFFAOYSA-N 582.509 6.303 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1 1084289758 WUXUDPZMHYKEEN-LDADJPATSA-N 546.248 7.279 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1Cl 1084327811 HRHZLKDTGXYZCO-UHFFFAOYSA-N 504.059 5.729 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc2ccccc2c1 1084340292 HSVJSYILUIDHOI-YZSQISJMSA-N 557.477 8.398 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OCC)cc3)S(=O)(=O)c3ccc(SC)cc3)o2)cc1 1084344524 BPOHTZDENSMZAL-UHFFFAOYSA-N 621.737 5.590 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084446475 HGFONUMGKBDBER-HHHXNRCGSA-N 547.608 5.274 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(I)cc1)c1ccccc1Br 1084597126 CPVLTXQLVAOZCI-UHFFFAOYSA-N 535.179 5.397 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748332 WIOHPOPOWLFTNA-UHFFFAOYSA-N 507.590 6.295 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(Br)c1 1772753956 JICRWGMCUGYQTD-UHFFFAOYSA-N 532.232 5.628 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690542 UIMIETDDXZZJOF-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OCC 1865691317 PHNBDFIJIOVMEP-MHZLTWQESA-N 535.088 6.723 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865693582 KTSCBUKWANWMRG-XMMPIXPASA-N 566.967 6.740 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865695854 IKTHJXFIOAVWHI-HHHXNRCGSA-N 518.633 6.209 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865696045 WRBNIIZXBNSRAQ-AREMUKBSSA-N 572.974 7.495 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697558 WLFFQYDLWODLEX-HHHXNRCGSA-N 538.604 5.570 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702041 LGQVSXNTKCFQCE-SFHVURJKSA-N 504.157 5.063 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703171 OWNYMDXYIOSCPG-SSEXGKCCSA-N 534.660 6.388 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705343 SSSZXVYULHOILG-SANMLTNESA-N 575.452 6.578 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865705425 VOKCGFAEYBRKLM-QFIPXVFZSA-N 566.923 5.990 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707017 LVGDGNRFPLBCJH-XMMPIXPASA-N 514.969 5.437 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714357 IDQZIXKWWHXWOC-XMMPIXPASA-N 562.985 5.340 50 10 KKGE CC(C)[C@@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865895402 XSWBXXKABVARDC-KRWDZBQOSA-N 883.025 5.937 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3cccc(C)c3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866648495 JTDFKWMRHVFICX-MUUNZHRXSA-N 568.655 5.366 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867011075 YHJLNEMPWAFRTB-VSGBNLITSA-N 513.663 5.908 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)ccc2nc1O 1867068429 ZKFLFSBTSKJWBG-MHZLTWQESA-N 510.619 5.676 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867084534 HIPYJSMORWGAGN-AREMUKBSSA-N 559.692 5.148 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868253559 LKIAMTFAERFUEE-NDEPHWFRSA-N 521.690 6.719 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(F)c2)n1 1868278133 TXZAZATWMLTFCY-PMERELPUSA-N 541.652 6.664 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 1868320848 POKIAMPAKYQGMT-VWLOTQADSA-N 531.607 8.129 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@@H]3C2)n1 1868342060 IYXXQJCQVFLJMP-QHCPKHFHSA-N 547.128 6.425 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Br 1872727357 UQRNNHCWLGOURL-CJLVFECKSA-N 524.908 7.570 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1OC 1872756941 IPWWKUGIYLDMGG-YLDWGVLHSA-N 517.651 5.636 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 1872758569 GWJBNYUVOPMLPQ-IGBNYLIKSA-N 516.406 5.980 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2cccc(I)c2)s1 1922929852 MJWACYPKBVADJK-JTQLQIEISA-N 536.852 6.362 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1OC 1923073632 YYNFAVZEMCAIJI-JTQLQIEISA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925601669 XFFLRAUDQQRYEY-VIFPVBQESA-N 528.318 8.026 50 10 KKGE CCCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048015 MGOAXAVFLNFZOA-ZCFIWIBFSA-N 542.729 7.363 50 10 KKGE Brc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1 2024279044 JLBDLZRDDFEREN-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE FC1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2025783432 OHHWRCHFKJPJMZ-UDSLYJHRSA-N 558.703 6.921 50 10 KKGE CC(C)(C(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493027 VRSZSCSZMHLPBN-SECBINFHSA-N 534.258 7.308 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2141468149 HAHWYMSFWHRWBK-PELKAZGASA-N 582.750 6.742 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCC2)C1 2141469097 RGKDZAARVPQLAQ-CYBMUJFWSA-N 536.327 7.597 50 10 KKGE CCCC(CCC)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471943 XZSSDDZEYVVVNH-GFCCVEGCSA-N 584.810 8.389 50 10 KKGE C[C@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1S(=O)(=O)c1cc(CBr)sc1Br 2179785103 HURNZOBMNHALIG-KFWWJZLASA-N 536.355 5.078 50 10 KKGE FC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2206396123 SMLQYCWXSXVBOC-GFCCVEGCSA-N 554.317 7.689 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2207098550 WQABLHUWAYLGLT-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1I 2217865720 XNNDPQIWTROXFZ-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1ccc(I)c(Br)c1 2218807500 GLYMZRGPLOHWHR-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2225616471 OTKJDSWUGXHZFS-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Br 2236109210 MJAOPYTVJYTEDF-NSHDSACASA-N 537.793 6.876 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(I)sn1 2277989270 IPCAPRQKTLMZMP-LLVKDONJSA-N 537.442 5.965 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 2296734998 XBJUECKOFRSDDE-UHFFFAOYSA-N 527.624 6.703 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2297629181 SMQJOWQADAZNNT-KRWDZBQOSA-N 574.302 7.518 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 2313568456 SQMCKJSGSWKSMY-UHFFFAOYSA-N 607.673 7.140 50 10 KKGE Clc1cccc(Cl)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448260 GKKXJJAKLLBHNK-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592123 MEJWNGABPMEUCY-SSEXGKCCSA-N 537.729 7.526 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 2314618463 NZXPZGWYAAVFDS-UHFFFAOYSA-N 538.648 5.654 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)cc1 2314646899 TWXKEWMGXGHRKE-MHZLTWQESA-N 618.715 5.081 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2ccc(Cl)cc2I)C1 2317799334 CWRODTLNPUJMQQ-GOSISDBHSA-N 544.655 5.626 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 2331402810 UNOZBOVPRRWUBE-NRFANRHFSA-N 501.652 6.624 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(I)c1 2335369555 SIXIBRSOWLXEBK-LLVKDONJSA-N 538.807 6.984 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c1Br 2362220691 ODZBEMTYYWSMLY-NSHDSACASA-N 570.703 7.904 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCCC(F)(F)C(F)(F)F)CC1 2362737095 QLHSEDFKFHEVJW-UHFFFAOYSA-N 515.301 5.576 50 10 KKGE Fc1cccc([C@@H](CI)OCc2ccc(Cl)cc2I)c1 2365645387 NKISXWYGCKZNCE-OAHLLOKOSA-N 516.519 5.777 50 10 KKGE CC(C)c1ccc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2Br)cc1 20550209 PCPUCHUPPJLJOF-BHGWPJFGSA-N 504.226 5.344 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(N3CCN(c4ccccc4)CC3)nc12 33890664 UYKIMFADZUEGGX-UZYVYHOESA-N 504.619 5.003 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1 38678854 XPYFYHKCBDCJKT-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)c1 38685248 YPYIPMWVTKOGPF-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c(OC)c1 38688462 UYMWCWSLVJZKEK-MHZLTWQESA-N 510.546 5.813 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccccc1I 97895632 VPMPPYHAUSWKQP-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921676 GKAMHZCZQPLVFM-DOPJRALCSA-N 524.091 5.628 50 10 KKGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1)CC3 101174396 BAJIPUKWKPNSCD-UHFFFAOYSA-N 537.403 5.084 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246742 RPCMKDQNKXXJIK-KVILUOORSA-N 534.037 5.812 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 101246873 MFWZKQJMXFYXNR-GQPXRJKTSA-N 552.483 6.684 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101334349 UYHFCXXBDSLNNW-VDIHWLEOSA-N 560.629 6.648 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101339524 DTYSIGGCSFUKDQ-FMFFXOCNSA-N 625.128 7.873 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 101377142 WFBVGUAWDHNIFI-LJAQVGFWSA-N 547.051 6.728 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380755 ZWDLCQWMPXERRN-IJWQSINWSA-N 548.570 6.250 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101386619 JWIXHMUYNRNSJT-WJOKGBTCSA-N 621.448 6.923 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388757 VZELBMXZSNOBNW-XIFFEERXSA-N 597.067 6.693 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101395769 RJBPEWGDCJDMNN-MUUNZHRXSA-N 623.558 8.469 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399186 CWOIPEPGAMYYBR-XIFFEERXSA-N 621.089 8.036 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614006 QEHLGQQWSHEIFD-OGLMXYFKSA-N 536.213 5.775 50 10 KKGE COC(=O)/C(NC(=O)c1ccc(C)cc1)=C(/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102921150 MIGJMWXKBGJKQC-BYYHNAKLSA-O 514.969 5.300 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103728404 OSEQYXLPEBCHCY-MUGXBBEHSA-N 530.411 6.029 50 10 KKGE N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104799968 OKSFMNWRUKKQTH-AQTBWJFISA-N 517.522 7.302 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 150428765 FNIKZPHQIOHVMV-LUHMOWLYSA-N 706.202 7.302 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 150428775 FJPQPMZDSWFOOA-MGBGTMOVSA-N 641.518 6.938 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433622 XCASJPALRFDGEZ-SSEXGKCCSA-N 666.355 8.171 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(I)cc2)cs1 150468148 LRGRYFMEWZUEDB-CXUHLZMHSA-N 615.434 5.861 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 150485820 PRAXJKNNLYWHTA-XIFFEERXSA-N 645.539 8.197 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1Cl 163744808 GTRDPCYWSKDVNB-XQNSMLJCSA-N 627.910 6.178 50 10 KKGE C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 196139821 BIYYEQKEADNAJH-ULCRRKNHSA-N 720.222 11.325 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214305066 KDGCQVYNICMLNC-VAMRJTSQSA-N 580.729 6.906 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 214371280 JYPAXQBTWFYHMD-XSVYLIDLSA-N 650.735 6.970 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214405639 YTLFTFJMANJJSH-NTFVMDSBSA-N 530.603 6.396 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 234866417 NFGSIMFNJCXTOG-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 245312410 JBPOLONIBTYZTR-UHFFFAOYSA-N 547.655 6.850 50 10 KKGE CC(=O)O[C@]1(C)C=CO[C@H](CO[Si](Cc2ccccc2)(Cc2ccccc2)C(C)(C)C)[C@@]1(C)OC(C)=O 248166529 OQGIMJDATRGPIF-MJLPRTPSSA-N 524.730 5.869 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)ccc1OCc1cccc2ccccc12 252634780 WQMNTQSSXLDBTN-UHFFFAOYSA-N 595.681 5.623 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253531009 ZIOPTNAQQBNLAA-PDUHDRPJSA-N 649.788 5.330 50 10 KKGE biogenic C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253577270 WWBCQUZYYWHYQG-GXWYZOGZSA-N 679.939 7.673 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254557676 NHDASPUJHMXBOR-UHFFFAOYSA-N 580.810 9.025 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2cc(Cl)ccc2O)n1-c1ccccc1 254757519 VHZIGKOGRUYOLU-QGZVFWFLSA-N 646.942 5.782 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)[C@H]2Br 261366827 ZPAVJUZCRPKKTD-UVBJJODRSA-N 514.483 5.964 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2Br)C1 382687665 KMFHTINFMRDJLN-RHSMWYFYSA-N 532.070 5.959 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Br)ccc2I)C1 382703045 DHMVOTGVJNPLHQ-GXFFZTMASA-N 592.053 5.439 50 10 KKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390511170 ZHUQFXIHSMXZNX-IBGZPJMESA-N 561.870 7.172 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083817585 QXQZQDMMTWVWDX-WEMFOFRKSA-N 654.920 8.706 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083927808 CCNULELKAPWJDE-UHFFFAOYSA-N 522.226 6.036 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 1084041834 GVBGVPFKTBAULJ-HHHXNRCGSA-N 517.025 6.435 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1 1084053424 URIAMZWFHVITJE-VCHYOVAHSA-N 561.217 5.781 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1 1084303310 IZDICUWQXCPOAJ-CIAFOILYSA-N 584.308 7.352 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084392402 HKPUNORPKYXIFE-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 1084399111 IFQHXKLDVSTTKG-PXLXIMEGSA-N 522.432 5.837 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 1084482359 NXEZONZRXKYGEO-VWLOTQADSA-N 573.459 5.929 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084540812 DEEBEEAEOSREHF-UHFFFAOYSA-N 612.535 6.317 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1 1084559361 NAOLORYSFGXZPP-UHFFFAOYSA-N 595.519 5.211 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C)cc1 1084593499 TZJDOAWWMKZESV-UHFFFAOYSA-N 582.292 7.338 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc([N+](=O)[O-])c5)c(C)c43)coc2c1C 1772752003 RBHNCVZNNGLONV-UHFFFAOYSA-N 514.538 5.511 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683485 FQAXDTSWKJMTJA-QHCPKHFHSA-N 547.840 6.241 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865691683 YUQQDUQODQGYSR-OAQYLSRUSA-N 574.273 5.721 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865692202 CHUSNWGIUZFFSL-MUUNZHRXSA-N 550.659 6.239 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865692289 KXASQLRNZITKHB-HSZRJFAPSA-N 571.903 6.315 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696645 PDDHMXNMVCXITH-LJQANCHMSA-N 560.246 5.282 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697566 WRPWMTCNCHCAAX-JOCHJYFZSA-N 509.404 5.211 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865702433 ADQLZJVZJRMUTC-LJAQVGFWSA-N 510.597 6.645 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCC(=O)N(CC)CC 1865707374 VMWMTTLQIUONCQ-PMERELPUSA-N 565.674 5.452 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4cccc(Cl)c4)CC3)nc(-c3ccccc3)n2)cc1 1868365530 RQMBCFLMFFTRFU-UHFFFAOYSA-N 527.097 6.478 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)C2 1868414089 IEEMNLLDNIPWDF-UHFFFAOYSA-N 558.107 7.429 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](c4ccc(F)cc4)O[C@H](C)C3)n2)c1 1868505859 LTLAZWCYCKXWKG-NIYFSFCBSA-N 527.625 6.574 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 1872758570 GWJBNYUVOPMLPQ-JBWVZOQYSA-N 516.406 5.980 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OC(=O)c1ccccc1 1872793184 MHPQVJQEBZSYBZ-OEAKJJBVSA-N 524.642 7.543 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1OCCC 1872817887 BUCOZKGWHWEQIF-QQKBAMFOSA-N 506.668 7.771 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1sncc1Br 1923065432 CEKRZARZTUGCGY-BYPYZUCNSA-N 531.314 6.630 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568761 LDGZOIZAFKRAAH-SVGQVSJJSA-N 503.826 6.517 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3c(c2)COC3)c1Br 1924596956 VZLNTETWLWRYKC-SNVBAGLBSA-N 531.889 6.550 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 1924609503 YORJJNDYCCREIR-CBAPKCEASA-N 521.938 7.442 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCOCC2)c1Br 1924615606 DGVDGHZOAYPRJM-HTRCEHHLSA-N 511.899 6.288 50 10 KKGE C[Si](O[Si@](C)(O[Si@@](C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1933252989 XQVNZAVBAUQQHU-NZCKGYRVSA-N 683.117 5.774 50 10 KKGE CO[C@H]1C[C@@H](C)CC(C)=CC[C@@H](O)C[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C)C(C)=C[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C2)OC(=O)[C@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@H](OC)C[C@H]2C 2058790027 GZSLPFGJFXLWTP-XYBUQTECSA-N 952.429 8.517 50 10 KKGE C[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085493495 CJAYJTXDPGAIEC-LHLIQPBNSA-N 570.783 7.855 50 10 KKGE COC[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2141165831 QWSGMHWBJQYMIK-GGZOMVNGSA-N 539.909 5.667 50 10 KKGE Fc1cccc(C[C@H](Br)c2ccc(Br)cc2I)c1F 2142278667 GKOUMNMXMFMHHE-NSHDSACASA-N 501.934 6.011 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1c(Br)cccc1Br 2150494369 HJVLLTPFMXPMSL-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1 2173213403 YWWQQKPVXRBZHE-MRVPVSSYSA-N 563.897 7.984 50 10 KKGE Clc1ccc(Br)c(CO[C@@H](CI)c2cccc(Br)c2)c1 2200751200 KMBGZDFRTBOAHP-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1I 2212991662 AQHZRYJBNDCEHF-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 2217421436 WWFQBQMTMPITBB-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2224018197 KGLZAKFAIFZPEG-RXMQYKEDSA-N 542.316 6.215 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2224314078 XCUYPYQEZPAGBO-QMMMGPOBSA-N 512.254 6.390 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)s1 2224781661 IPHPWWWLIIYQJE-JTQLQIEISA-N 509.510 6.962 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2234465788 ZADZJDXYHUWMFN-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE Cl[C@H](c1cocc1Br)c1c(Br)c(Br)cc(Br)c1Br 2258117686 KVEUFBQYDDOWLR-LLVKDONJSA-N 587.125 7.420 50 10 KKGE Brc1cc2sc([C@@H](Br)c3ccc(I)cc3)cc2s1 2263562621 DNHBKKIONYFOKK-ZDUSSCGKSA-N 514.045 6.814 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 2293863889 KASDHRXLYQOAKZ-QJBCOTQNSA-N 810.466 5.719 50 10 KKGE CC(=O)OCCCCCCCC=CC(=O)O[C@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818660 AUXPKBDZZOGTOQ-PMERELPUSA-N 510.715 7.699 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 2294908724 TULSVXUNNRPZLY-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 2295523571 RNZCCMHFRSFPRJ-UHFFFAOYSA-N 611.496 5.656 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc2c1CCCC2 2297461638 UGDCAEATQJHLPM-UHFFFAOYSA-N 504.464 7.210 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556140 OCSYNPIRFDMATP-UHFFFAOYSA-N 623.301 6.236 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1 2313566825 BHYYLMWTFSRULS-UHFFFAOYSA-N 642.335 6.197 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1 2313568068 OSCDKSNYCVNPQP-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1Cl 2313571116 NQMDFARHIOILAZ-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313730314 OAWLXWJYMJLFLO-UHFFFAOYSA-N 535.747 7.246 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2313730330 QBGRYKPBHCURJW-UHFFFAOYSA-N 515.329 6.901 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OCC)cc3)C2=O)cc1 2314591749 CUPPXKCBPKTRHG-GDLZYMKVSA-N 555.700 6.501 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594135 ZPDJNNKPUXUASJ-QFIPXVFZSA-N 528.417 5.338 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314610008 BTNCHUMGOGSNAR-UHFFFAOYSA-N 508.622 5.883 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314610597 JVAGVAPCLQPZFO-UHFFFAOYSA-N 522.649 6.275 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314618673 RMHMGDUMLTUQEC-UHFFFAOYSA-N 512.635 5.280 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5Cl)ccc43)c2)cc1 2314640736 UNNNTXPYXHERME-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 2314643188 GKLFJJOGVOONCA-WJOKGBTCSA-N 587.434 7.548 50 10 KKGE Clc1cc(I)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2316600411 FRDMBCKKBHMHPN-VIFPVBQESA-N 585.324 7.210 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328821255 UQHMWBRUYDMGLS-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OCCC 2331293320 WSBXQRIHIICFAM-KRWDZBQOSA-N 517.607 5.865 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2331416250 ZEKQCOKOFPPLAC-UHFFFAOYSA-N 520.611 5.818 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 2331445375 OOTVIOJWAQZRQU-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCC(=O)N(CC)CC 2331478792 XIMLFNWQMIJQSM-UHFFFAOYSA-N 503.668 6.445 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Br 2336043875 JEQLGRXHGAMRBQ-HXUWFJFHSA-N 547.031 7.553 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336043878 JFKSLNFUKOIKKC-NRFANRHFSA-N 543.068 7.722 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)s1 2340067947 HZSQMJDCLMGUNY-LBPRGKRZSA-N 536.454 6.399 50 10 KKGE Clc1ccc(OCc2ccc(I)c(Br)c2)c(CBr)c1 2349809787 RNAXZQRNZXZKNO-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE ClCc1cc(Br)cnc1OCc1ccc(I)c(Br)c1 2350072990 IOCQTADJAXFQSE-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766874 JDOYJDQUVALHNH-UHFFFAOYSA-N 511.416 5.180 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 38686698 MAQLGLQOBSLGHS-PMERELPUSA-N 522.988 6.285 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815532 BXEHMIOXSMEWBR-STKMKYKTSA-N 512.997 5.877 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1 100233395 MLSAIJDTMTWXEO-LCVHJTKWSA-N 575.887 6.053 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 101245566 JZAQLGKBLXATMD-IYQUHZLLSA-N 584.063 7.856 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246265 BJQULPYGGIKIBJ-RAMZYJDASA-N 552.483 6.766 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 101333497 YEBLJKLTXMBHEI-KOEQRZSOSA-N 509.566 5.620 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc21 101368847 OXZIUXMVTKBYDF-VVCKJVIVSA-N 537.797 5.948 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 101378135 YRRSCPPVQCCGND-WJOKGBTCSA-N 526.633 6.411 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382627 BDWPSUSOZXVJKF-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387435 ZAHVFMYIZFNYJS-GDLZYMKVSA-N 607.877 7.672 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101387935 LRFHDELPZXJCTB-HKBQPEDESA-N 567.041 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccccc1F 101391568 DQOIZTRAHPPJRC-FQEVSTJZSA-N 545.806 7.438 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101393819 HWLARIWQPZVHLZ-JOCHJYFZSA-N 521.425 7.208 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399513 UQRQFMRWTRODBE-WJOKGBTCSA-N 576.580 6.905 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613575 PWZCWDKJPWTPDI-FMIFUCRQSA-N 554.650 7.209 50 10 KKGE N#C/C(=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cccc(I)c1 102136865 JHFCROGPIFYMFS-ZHZULCJRSA-N 544.348 6.209 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 102415845 RZBHNHZARILIQV-AQTBWJFISA-N 576.030 6.426 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 102516547 ARXNDOLXSRYIOD-BEWREHSGSA-N 535.431 6.965 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 103879421 RDSJLOCRBCMQKZ-OKCVXOCRSA-N 529.390 6.700 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929261 FIPBZAAUKFDJHJ-UHRFHUGISA-N 569.062 5.672 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389195 LFOCDCFHZJEYTA-UHFFFAOYSA-N 775.111 6.523 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150421247 LIWNHMWFUHOOBE-UHFFFAOYSA-N 674.209 5.629 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc(C)c1C 150486548 FUAWNFZSMXNHME-YFKRBCBSSA-N 643.762 6.608 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 164739686 WCJNJLOBUCFTEO-UHFFFAOYSA-N 636.563 5.731 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214277219 DESHKDIZXMHQDW-FSGOGVSDSA-N 542.639 6.429 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)o2)cc1 252596809 CMQCKVIOJNNWJY-UHFFFAOYSA-N 634.032 6.141 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1Cl 254567095 PZGBSYFACOIEQU-UHFFFAOYSA-N 546.501 6.823 50 10 KKGE CC(C)(C)c1cc2oc3c(c2c(C=NNC(=O)CSc2nc(-c4ccccc4)cc(-c4ccccc4)c2C#N)c1O)CCCC3 254703762 OCNDWONAJXGEEK-UHFFFAOYSA-N 614.771 8.158 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254766639 MUPTWYPPZDTWFJ-UHFFFAOYSA-N 553.700 5.800 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232452 RGULCXDJBDOAKJ-WTRWWZMMSA-N 635.352 5.642 50 10 KKGE in-vitro CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627084 KIELDCCFMKNOOM-VYXPJIEXSA-N 968.182 6.765 50 10 KKGE in-vitro Brc1cc2c(cc1[C@H](Br)c1scc(Br)c1Br)CCO2 705474760 HKQJYVRZULCCJY-NSHDSACASA-N 531.889 6.455 50 10 KKGE Fc1cccc([C@H](Br)c2cc3c(cc2Br)OCC3)c1I 721719074 MDMGVKRZRLSNML-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)cc1 725428424 OFJCOTMBNXQKRO-UHFFFAOYSA-N 568.621 5.767 50 10 KKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c1 1084055631 RQKXUCYYQCLEFW-UHFFFAOYSA-N 621.601 5.857 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084193937 LEVMWIMSBVMBCQ-UHFFFAOYSA-N 555.281 5.492 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)o2)cc1 1084209185 GSFZXWNSIOUGSF-UHFFFAOYSA-N 580.062 5.431 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc2ccccc12 1084463643 JSZAFHNNJNXHHV-PMERELPUSA-N 522.645 6.510 50 10 KKGE CNc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084508842 WFOBCWHVNLCSLK-BJMVGYQFSA-N 598.009 5.790 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 1084563997 RVMPKPITPMWISZ-DEOSSOPVSA-N 511.416 5.391 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc2ccccc12 1084645680 RLPHIGGAJKVDTG-OYKKKHCWSA-N 588.445 7.195 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614694609 PYESVRNEJCYLGF-PBHICJAKSA-N 524.162 6.119 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743759 HRRYNNWEHDPZAG-UHFFFAOYSA-N 525.996 7.380 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748840 URKGOFNLJHVDTI-UHFFFAOYSA-N 513.406 6.227 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772754894 JGGYGWQOSSOQSR-UHFFFAOYSA-N 518.104 6.674 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]5[C@@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 1848703401 JLDCYPYVMUNTNF-VPDNUXQRSA-N 722.687 11.403 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686772 AGCVARVSINKAJZ-MUUNZHRXSA-N 524.596 5.829 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687342 PARBOHSEPFBRFZ-MUUNZHRXSA-N 506.606 5.939 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865687560 UZFVMEQNZANUCU-RUZDIDTESA-N 546.549 6.064 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688053 HPZHABUMVWWFRL-QFIPXVFZSA-N 563.839 6.278 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865688609 WLXVOZGHZORSIV-LJAQVGFWSA-N 520.633 5.998 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc(Br)c1O 1865688742 ZOLMXUBIRGDEOE-IBGZPJMESA-N 515.795 5.173 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865689226 MZLNSJDENKJTKO-IBGZPJMESA-N 504.896 5.560 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865693015 HHDFTFZVVWSHJX-HSZRJFAPSA-N 513.395 5.919 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCCCc1ccccc1 1865697358 QKXMROJIFKTRFO-JGCGQSQUSA-N 568.677 6.837 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865697435 SINYRRVDBVIMCG-OAQYLSRUSA-N 543.849 5.535 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698469 UUBOFJFLBJKPPN-OAQYLSRUSA-N 578.294 6.518 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c2ccccc21 1865699216 NPHORATULXZMFM-IBGZPJMESA-N 501.871 5.453 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701623 ZWTJVLSLXKNOLV-SFHVURJKSA-N 548.210 5.082 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703687 ZEFYGXDJCVGNSF-VWLOTQADSA-N 503.389 6.285 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709660 ZHLLUIXHUYTSHK-LJAQVGFWSA-N 575.685 5.277 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712090 PIYXDWVHPKZDGL-HSZRJFAPSA-N 527.924 5.090 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)n1 1868231392 FNQYNVASJQYFMR-LJAQVGFWSA-N 521.646 6.798 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868341984 GSJFCHYAAPCJPZ-JOCHJYFZSA-N 502.619 5.176 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872751345 CPWLPWRGJCRICB-SILNSSARSA-N 505.353 5.143 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccc(Cl)cc1 1872791574 MVCAHMNQCPZIQI-CIAFOILYSA-N 517.006 6.886 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872818183 QGSQXXBDSXUTLH-VHBBHFJJSA-N 513.525 5.788 50 10 KKGE CC1(C)CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583363 JEHRMVSYCKHKCM-HTRCEHHLSA-N 509.927 7.298 50 10 KKGE Cc1c(Cl)cccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924592106 WTDCVWGCOACYMI-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924593110 CGSJKNKBOCWMSI-SECBINFHSA-N 514.291 7.671 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1c(Br)cccc1Br 1925546225 NFLUDBPAASHYBE-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE CCCCC[C@H](C=C[C@@H]1O[C@H]([C@@H](CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C 1933246588 GHSCHPFIJMZDGG-WUWJBHAQSA-N 659.218 9.435 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)s1 1948823265 MCPJYZQEDOVECU-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE FC(F)CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779341 GFWVJOYXFHYEGZ-LURJTMIESA-N 520.231 7.062 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(I)cc1 2042446006 LUPKOCDSQVNVGZ-UHFFFAOYSA-N 569.752 6.917 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc3sccc3s2)c1 2084759042 DXNYFZWBSDQTGR-ZDUSSCGKSA-N 514.045 6.814 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)c(Br)s1 2089724392 BZIACHXBOPXQEJ-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2csc(Br)c2Br)c1Br 2136384158 MUUJZFKFZMECOD-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]32)c1Br 2141473031 KDMOJQLJXIBSAE-BMYQGPEFSA-N 580.778 7.609 50 10 KKGE CC1(C)CCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477909 VFKNUZZHJCNWHA-UHLUBPPHSA-N 538.343 7.843 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3csc(Br)c3Br)cc(Br)c2O1 2150335752 DWBWDXHCQACTJJ-KGFZYKRKSA-N 545.916 6.843 50 10 KKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F)C(C)(C)C 2179833343 BJGWGCDGFSHSQP-CQSZACIVSA-N 521.290 6.109 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397408 JBEZXQOSJQGZAZ-ZDUSSCGKSA-N 662.154 7.809 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCCC2)C1 2206397686 LWIGOSLANHSGLV-AWEZNQCLSA-N 550.354 7.987 50 10 KKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1 2207264756 JJXLZHWYZBWRAW-CYBMUJFWSA-N 510.951 5.641 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cocc2Br)c(C)c1Br 2258147900 KDNDEBGNOCFZCA-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE CCn1nc(C)c(CCl)c1Oc1c(I)cc(Cl)cc1I 2281398405 HMSFFUGSXZPFMF-UHFFFAOYSA-N 536.966 5.605 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCCC[C@H]1CC2 2288995690 FOHVEWGXHYSULF-SVGYWBMUSA-N 550.354 7.987 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198275 POECEEMGRFZGDO-HSZRJFAPSA-N 587.326 6.499 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2297458524 AMJOZWZOEILCKM-RUZDIDTESA-N 502.039 5.434 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4ccc(F)cc4)c3C)sc3c2CCCC3)cc1 2313565155 VPWRPBITHMGIBJ-UHFFFAOYSA-N 552.675 7.280 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1 2313570685 DASLHOVGFVQJNG-UHFFFAOYSA-N 564.238 7.418 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1 2313570921 JBKINTDHAYTNBU-UHFFFAOYSA-N 556.287 7.918 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634446 TWCBLIBFXIYEQS-NDEPHWFRSA-N 559.460 6.592 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314640602 ARTRXUFHXIZMJK-JGCGQSQUSA-N 538.644 6.881 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)cc1Br 2314720018 AGMKBMZMNOLNTG-UHFFFAOYSA-N 577.656 6.922 50 10 KKGE CC(C)(CI)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2326674720 DJHGXYAYYHPNTD-UHFFFAOYSA-N 525.269 5.632 50 10 KKGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405521 RRWBATLOOLOVTN-UHFFFAOYSA-N 515.334 5.504 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2331430299 CKXTZLWGLMBQPA-UHFFFAOYSA-N 500.465 7.663 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 2339648652 NNUVXZCNVVAULD-VIFPVBQESA-N 600.765 7.730 50 10 KKGE CC1CCC([C@H](CBr)Nc2ncc(I)cc2Br)CC1 2351581011 FIQCGGGUYNUAJC-ZPPKWKGLSA-N 502.032 5.450 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14768886 QQIJVVNQZYVKGB-OAQYLSRUSA-N 517.807 5.153 50 10 KKGE COc1ccc(/C=C(C#N)/C(O)=N/c2nc(-c3ccccc3)cs2)cc1COc1cccc2cccnc12 20258632 DJXHYZPWUVIWHG-HZHRSRAPSA-N 518.598 7.141 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OCC)c(OC)c1 35062294 KGLAEZVFHWMWIO-STZFKDTASA-N 504.608 6.107 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 38606296 YGBAIRZWRBEGIQ-OVVQPSECSA-N 524.621 5.265 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608809 PPXHMSIQGINHFA-ZVHZXABRSA-N 512.993 6.029 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38660145 PNSNNDHWYZBRFU-LJAQVGFWSA-N 528.605 6.099 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 38660342 UBCFTGFYGNOFPA-NDEPHWFRSA-N 514.578 5.566 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1c(Cl)cccc1Cl 38679567 UUQHQCZTGZWAGU-JOCHJYFZSA-N 512.305 5.104 50 10 KKGE CCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 40924563 FCZQPNMZGRITLP-WYMPLXKRSA-N 520.474 5.612 50 10 KKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 100096571 WFAYGJUIFCCINW-RQQFFKHGSA-N 529.434 6.613 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 100236863 MIPRBYZPTRZOQQ-APTYXWLQSA-N 545.463 6.334 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1 100451810 LDTODDXTZKBNGY-RJNBOEKGSA-N 593.259 5.597 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C1 101014111 KGVRIJLZZDAGJT-YEEVHQILSA-N 569.687 5.022 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244962 IMWANMZVDPEJKX-IDJUBOEBSA-N 536.484 6.929 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101307322 BIXMSDLUVREXRB-VWLOTQADSA-N 533.378 5.460 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)C1=O 101336003 MYIPRQUQFWVCDQ-LFVJCYFKSA-N 545.039 5.610 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101337558 GAEXJTZRFYMEOZ-UJUJBVAOSA-N 573.609 6.200 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 101368983 WOLZXHIIHIWXCR-AREMUKBSSA-N 549.421 5.930 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 101374633 VQQLUILGJGARNM-WRGVRERRSA-N 560.622 6.384 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 101377883 JASHLODLFHQDII-WJOKGBTCSA-N 526.633 6.547 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381047 XMVGHGRWEJDPSU-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1OC 101392600 UEBBEMHVXPJLLF-OAQYLSRUSA-N 553.423 6.663 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)oc2c1 101397594 VZOODZJBGMQJIP-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399853 LSHFEAZNBXECFE-XIFFEERXSA-N 604.634 7.604 50 10 KKGE COc1cc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc(Br)c1O 101415112 DHFVKRIDDDOKAF-OAHLLOKOSA-N 551.260 5.145 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603250 QWEJGUGIIOFZKW-VTNSRFBWSA-N 558.771 7.290 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614961 IAJXNACHOZIVEN-PNQUVVCRSA-N 558.248 5.592 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(F)cccc1Cl 101727394 LVFDBTNKWDWFJQ-PNQUVVCRSA-N 576.502 7.086 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OC 101766336 WWBIMIITLGJIPR-BHGWPJFGSA-N 528.241 5.055 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 101767440 OCUGTVDVVOEDAF-VFLNYLIXSA-N 566.279 6.435 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OC 103590150 ARZPMXRFWAZWHF-JAIQZWGSSA-N 542.979 5.543 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103742048 YLKGKXLIGGAWEI-QPQMVVSWSA-N 552.881 5.845 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2 103797468 MHKZCINYZFRTJH-KKMKTNMSSA-N 570.339 5.118 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C 103879046 CVXZOSMBGCVRSN-DHRITJCHSA-N 518.205 6.015 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 103887832 TZWJVUXADVXDGH-JAIQZWGSSA-N 521.367 5.589 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)cc1Br 128696227 MGHUZZMDGMLELF-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1Cl 150441959 MCEFQCOULJHXCX-PMERELPUSA-N 632.456 7.317 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484740 ISLFGTLWSDMAMF-GDLZYMKVSA-N 652.328 7.781 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 150486232 LMKPGUWVIDSCNX-HKBQPEDESA-N 645.550 8.299 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 205669227 DYLGZVVFRIIESU-QHXLTNPOSA-N 578.596 6.259 50 10 KKGE CC(C)c1nnc(CO[Si](C)(C)C(C)(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)OCc1ccccc1)c1ccccc1 206565813 IQQIWOROFFKIJZ-PKCBJEQGSA-N 631.938 8.149 50 10 KKGE in-vitro CCCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 214411287 JYCYXGXAMDCCEI-UQQQWYQISA-N 504.602 6.366 50 10 KKGE C[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 216492045 JAGLAIUCWLVXMM-NMQHBHJOSA-N 504.678 5.557 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(I)c1 236243747 MSXCSNHMGRXIIL-JTQLQIEISA-N 554.842 6.501 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2ccc(I)cc2)c(C(C)C)cc1Br 252620610 MHYQGTJESWYYAX-UHFFFAOYSA-N 515.189 5.015 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 254397503 CHHXBTYHSPARPU-UHFFFAOYSA-N 514.839 9.699 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254478337 TUJGDHREBWWUSK-UHFFFAOYSA-N 544.637 5.391 50 10 KKGE COc1cc(Br)c(OCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1 254566294 IYIRQHYQNDXSCC-UHFFFAOYSA-N 577.056 6.316 50 10 KKGE C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 575232376 LGYWRDLXHKTNGB-RMXNMGSUSA-N 992.494 9.320 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616692587 YNSAEGWMTLLJAR-MUUNZHRXSA-N 526.914 8.246 50 10 KKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCCC3)ccc1I 721573058 ODYJFIHIQPIIDA-KRWDZBQOSA-N 506.019 6.417 50 10 KKGE Cc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721602647 LCOCBMMVJUJYOK-CQSZACIVSA-N 518.389 6.639 50 10 KKGE COc1ccc2c(c1)[C@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CC2 725238261 RIHSDZQBFIIOFB-NFBKMPQASA-N 522.976 5.892 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](CO)COCCCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 725238656 UZPLWCOYGSTIRK-JOCHJYFZSA-N 552.789 6.843 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084083841 VOBDOBSZHPQODX-UHFFFAOYSA-N 586.765 6.907 50 10 KKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1Cl 1084258873 VFLGOYHAFHJZRK-UHFFFAOYSA-N 520.814 6.924 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CSCc2ccccc2Cl)cc1I 1084360328 XQVGLIFVOZKKCX-UHFFFAOYSA-N 575.859 5.779 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1 1084363903 IPSMUWFJNYIKFS-UHFFFAOYSA-N 546.534 7.362 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084467448 PAPHGPVCIIUOSX-UHFFFAOYSA-N 623.087 5.490 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1084468014 DWTRUYMQKPRCGF-UHFFFAOYSA-N 526.829 5.001 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1084470080 HFTYWIKUEGEMCV-YVLHZVERSA-N 535.747 7.246 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 1084503272 HBNDLVLFEUXSPT-UHFFFAOYSA-N 539.679 7.833 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1084522571 ZJXYPWBLHHXSCE-UHFFFAOYSA-N 568.098 6.961 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084558622 VPHCMFMMFDTCST-XMMPIXPASA-N 541.988 5.198 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 1084646392 AYCHOBMVCRTQBK-QHCPKHFHSA-N 545.861 6.044 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(C(F)(F)F)cc2F)C1 1614622359 AOPUKADZNIHWFG-PBHICJAKSA-N 507.265 5.632 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(F)cccc1Cl 1772754901 MFNCNHSFZIGZHC-UHFFFAOYSA-N 590.529 7.476 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC(=O)N(CC)CC 1772755211 URLMRSULCSAPSX-UHFFFAOYSA-N 640.025 6.114 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865690814 BRSMGHMDNXSJDD-DEOSSOPVSA-N 537.458 5.635 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865694389 XKYKUECYGNOYOH-DEOSSOPVSA-N 512.997 6.208 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865694971 GXZYLBOYXSWJSI-NDEPHWFRSA-N 527.024 6.007 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865696279 YURCLFIOCAVQJO-VWLOTQADSA-N 530.987 6.016 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703547 AUBCHYFIYLHYKA-SANMLTNESA-N 577.468 6.691 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865703571 BNPMDNLQCXRDBL-XIFFEERXSA-N 576.656 7.498 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704064 LVVQWCUCFDKAIF-JGCGQSQUSA-N 540.667 7.143 50 10 KKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)cc2C1=O 1866128919 SKYHGLFKJUBQLP-LDADJPATSA-N 500.352 5.412 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3ccc(F)cc3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866661881 JYOPAMZRIIKQKH-HHHXNRCGSA-N 572.618 5.196 50 10 KKGE CSCC[C@@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046542 QAFKROLPRWLPFF-FGZHOGPDSA-N 567.762 5.190 50 10 KKGE CCCC[C@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867088824 CGIOPSAYUJIKFX-NDEPHWFRSA-N 538.673 5.961 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1)C3 1868207849 QKKJFFBJMXRDSO-UHFFFAOYSA-N 518.646 6.437 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2sc(Br)cc2Br)ccc1Br 1922891059 ITRCWNHDWFVPHN-JTQLQIEISA-N 557.849 7.539 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1I 1923074271 JIZNPQDWUKYNOS-YFKPBYRVSA-N 575.289 5.749 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924593619 GMSVHPQEROZDEK-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C(C2CCC2)C2CCC2)c1Br 1924595634 BTALUTCUXPYZKX-NSHDSACASA-N 535.965 7.688 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)s1 1945323370 QYYJEDBJWNNFNU-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2025779180 DKRIHFBPUJZYMZ-ANYMCVJYSA-N 575.158 7.190 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 2097834003 HSWTVKXTBCWGDH-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE C[C@@H]1CCO[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469275 UJEJMMDPDDAXMS-BDODKLCJSA-N 540.315 6.832 50 10 KKGE CC[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141469482 AVIRSFGSGBFAOL-ANLVUFKYSA-N 592.736 7.854 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(F)cc1I 2145958166 TUNBZPZGJLJLMX-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2[C@H]1CCOC[C@@H]1OCc1ccccc1 2146519411 GRIMLJFSECLXCN-HKUYNNGSSA-N 500.739 5.066 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1cccc(Br)c1Br 2148749092 GJZKIRDHNDYDLX-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)ccc2Cl)c1Br 2201075740 CYVXKGGUIJYAOG-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CO[C@H]2COC[C@@H]12 2206394077 DGLXWKWAPDZKJW-INIFJCPBSA-N 554.298 5.678 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2206408873 MADOBKGSIDROIV-ZDUSSCGKSA-N 662.154 7.809 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)s1 2218599227 ZBTBLRQMYYCVLK-NSHDSACASA-N 521.869 6.967 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CC1(Br)Br 2224805387 MWYPQDDCIPTJSF-JGVFFNPUSA-N 518.418 5.447 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232833714 OSLKLPZEUSYWHX-INIZCTEOSA-N 510.007 6.163 50 10 KKGE COc1c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)csc1C 2287219305 DRMJXVQKUQPFPS-JTQLQIEISA-N 612.801 7.599 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288344656 MGEANMJUXNPHEW-LLVKDONJSA-N 537.793 6.876 50 10 KKGE COc1ccc(C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1c(F)c(F)c(F)c(F)c1F 2295672253 GOHOVXQAMHPJQH-AWEZNQCLSA-N 502.439 5.754 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2296506887 JSDHYVNETDFYQO-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE CCOC(=O)c1nn(-c2ccccc2)cc1C=NNC(=O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 2297677905 XWBVRXHUIAYLRY-UHFFFAOYSA-N 575.650 5.161 50 10 KKGE ClC[C@@H](I)[C@H](CCl)OCc1cc(I)ccc1Cl 2307206559 LOJALXMOKXICPP-MNOVXSKESA-N 519.375 5.111 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2314496734 DTJOWVCRLXEGSF-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(Br)cc3)nc12 2314532593 LULOHDIXCYEKHX-UHFFFAOYSA-N 535.785 5.757 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618857 VQCBRKQGGBEXDZ-MHZLTWQESA-N 536.632 5.489 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1 2314619901 GZWSVQAFUWZWEQ-UHFFFAOYSA-N 589.608 5.300 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634445 TWCBLIBFXIYEQS-MUUNZHRXSA-N 559.460 6.592 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643125 CNHUFPDWDGNSQH-WJOKGBTCSA-N 587.434 7.548 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2cc(Br)c(Br)s2)cc1)C(=O)NCc1ccco1 2314760705 YJDFZSSHBORXHH-UHFFFAOYSA-N 536.201 5.309 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Br)c(OC)c1OC 2331295946 YEFRYOSHJRGYMV-UHFFFAOYSA-N 507.793 6.202 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360423249 LJTVCAZBOXZEPF-GFCCVEGCSA-N 512.346 6.967 50 10 KKGE CC(C)(CC(F)(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362223300 GWAGQGPUPRFCMD-SNVBAGLBSA-N 505.369 7.419 50 10 KKGE Cc1c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)nn1C 2362231819 HJYYSXICALVOKJ-VIFPVBQESA-N 554.277 6.293 50 10 KKGE COc1cc(/C=N/NC(=O)C(NC(=O)c2ccccc2)=C(C)C)cc(Br)c1OCc1ccccc1Cl 3584945 SHDHGPSBYZYJRW-FJEPWZHXSA-N 570.871 5.864 50 10 KKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446061 AMDMGOMDNPCQON-JJIBRWJFSA-N 510.569 5.317 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38682966 YDILEXMQVIBCDS-MUUNZHRXSA-N 518.997 6.030 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38700818 UVRIJWNQTLCRIQ-GDLZYMKVSA-N 522.601 6.974 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccc(C)cc1 40888545 YUWCZVMTRUWYNP-CCVNUDIWSA-N 511.416 5.491 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 58890204 AHPHBVPHJSLJBG-GXZQEHIMSA-N 511.416 5.309 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1 59305229 ZEAQJYAAWHLRPV-MUFRIFMGSA-N 519.395 6.275 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccccc4)s3)o2)cc1 100919868 KVWQSXYYVAUNFB-NCELDCMTSA-N 545.620 7.563 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(I)cc2)cs1 101034186 RSWKGDJLINUEEF-HAVVHWLPSA-N 606.492 8.485 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 101368036 QJKJOKRFCSZAFV-PMERELPUSA-N 542.632 6.084 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380462 NKYCCMPDYCNSEF-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380636 OXSBAVUHNAWTHL-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383544 RYKSSCHLWICSOD-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384079 VHTDPYLXZISMTI-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc(OC)c1OC 101393488 IUVSCNYEDOEGPF-RUZDIDTESA-N 546.963 5.858 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396828 MNACKDAJXMVJKI-MHZLTWQESA-N 567.469 7.398 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101396917 VBWKPUQMBFEJCX-VWLOTQADSA-N 579.505 8.214 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] 101487165 VYNKSTOGGYAUBF-UHFFFAOYSA-N 518.144 5.264 50 10 KKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 101833787 BXKRVYJSDYNNSQ-XMHGGMMESA-N 539.451 6.607 50 10 KKGE COc1ccccc1N1CCN(c2ccc(NC(=O)CCCCl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 103127099 VRUNQEZGZKYBRN-JOCHJYFZSA-N 571.143 5.019 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 103727509 WJIVPJHVUDFYAJ-TVKQRKNISA-N 547.497 5.799 50 10 KKGE N#C/C(=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 104919389 ZGGKILLWGQPHED-LTGZKZEYSA-N 550.011 6.009 50 10 KKGE CC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118921001 FYWPUSMWQOIDNY-DTAPLWTESA-N 535.651 9.113 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCCO2 128542833 CXVAPDWRJGQTBK-LBPRGKRZSA-N 503.437 6.135 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214280120 FYVWNZUQAUSSNP-MNBJERMJSA-N 556.666 6.675 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214313072 QTBOQBPLXXQWPL-MNBJERMJSA-N 595.634 6.445 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)cc1F 236209744 MCWQFSWAPCDZSM-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE C[C@]1(C(=O)NN=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)CC1(Br)Br 252625999 QTYDJQJIBMMOCY-MRXNPFEDSA-N 525.024 5.512 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 254734764 MTRQIKQFHYCBNS-UHFFFAOYSA-N 523.659 5.027 50 10 KKGE COc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1CSc1nc(C(F)F)cc(C)c1C#N 254762056 DQSBSKRBLZSCCY-UHFFFAOYSA-N 538.664 6.557 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)c(OC)c1 254833587 KVZPBADWEHRKSD-UHFFFAOYSA-N 524.573 5.334 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(I)cc2c1OCC2 312410926 WXWMZIWTFSECEG-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 725237352 FEAMWRDAYZEWNS-PMERELPUSA-N 612.117 7.014 50 10 KKGE O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238014 OOFAZKCJXSKLFH-RUZDIDTESA-N 680.976 9.549 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 1084031586 HSOUXJVNGWFYMW-NRFANRHFSA-N 505.796 5.725 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084074530 YIDCWRANSGYIJY-XMMPIXPASA-N 624.757 6.807 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084225117 HYKGRXKFEPSHTD-QFIPXVFZSA-N 515.379 5.140 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1 1084318554 GKMGQMQFZUZPTJ-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSc2ccc(Cl)cc2)c1C 1084532499 SQMGUECCOOGHOZ-UHFFFAOYSA-N 504.881 6.369 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084556221 ILFCMOKFKKEPFC-UHFFFAOYSA-N 539.032 5.232 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 1084556630 GHAZDPISGSCYSL-XMMPIXPASA-N 627.306 6.540 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1 1084586715 UDNUFWSHGZVQMS-VWLOTQADSA-N 566.452 5.271 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CSc1nc2ccccc2n1C 1084610866 HFIMIINTLNYELD-UHFFFAOYSA-N 583.806 6.782 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2ccccc2O)c([N+](=O)[O-])c1 1088651720 DWDBLGOZNMMHKL-BRJLIKDPSA-N 506.397 5.306 50 10 KKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 1772743677 ILPVESWIHYJHRN-UHFFFAOYSA-N 505.578 7.035 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 1772755009 GMSABDTTWLENTN-UHFFFAOYSA-N 602.963 7.056 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772755034 IGCVSVWVIDWVEH-UHFFFAOYSA-N 586.964 7.356 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CCCC(=O)OC 1775955303 LACUDBFJBSQZIP-BMNOQQELSA-N 514.867 9.166 50 10 KKGE in-vitro COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687437 RINACZDYBHXZBD-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865689761 VVMQHFVCRFZUHG-NDEPHWFRSA-N 527.024 6.338 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692040 HSVJXCFTKOWNGI-GOSISDBHSA-N 555.340 5.501 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865693540 OWQQQTUIHCBRFX-SANMLTNESA-N 557.050 6.276 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696267 YRRGJHYAAROINJ-MHZLTWQESA-N 541.051 6.988 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865696953 LWVYVUMOYHNMNR-VWLOTQADSA-N 507.034 5.943 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCCCc1ccccc1 1865697652 YTUHTJRSVDLGQR-HKBQPEDESA-N 554.650 6.778 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1 1865701535 XPDRRTNTKXSBOK-MHZLTWQESA-N 541.051 6.665 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703714 CVTWZVAFZRKMJA-RUZDIDTESA-N 547.840 6.394 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703734 DHJZSUZXFVUOIG-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704214 QIJMVQFLDZFCLJ-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865707473 XPTITEKRXJOKFG-XIFFEERXSA-N 565.721 7.460 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711177 RQBPXGPSDNKJIQ-QHCPKHFHSA-N 520.486 5.983 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccc(F)c(C)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866759359 ABQIYWXVMAZPAB-PXJZQJOASA-N 561.679 6.129 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866930554 JQKCLCTVENQICC-WJOKGBTCSA-N 572.690 6.479 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866972410 ANBHAYJZINCVOJ-DNQXCXABSA-N 522.468 6.258 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867098320 HSKLJPSZBRRUIA-AMGIVPHBSA-N 519.642 5.990 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867123060 RFBWGAQWRGVVAW-UHSQPCAPSA-N 541.623 6.426 50 10 KKGE CCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867222789 YZBYYKRLZDOXQF-JWQCQUIFSA-N 535.641 5.862 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868253307 GBRIJYCCRIWAJW-UHFFFAOYSA-N 523.106 5.390 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868301294 NDZSABLSSVGLKY-YTTGMZPUSA-N 553.735 8.505 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc(C)n(C)n4)CC3)n2)cc1 1868528394 SEMCTYPMJZKHDU-UHFFFAOYSA-N 526.670 5.680 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 1872751777 FWPHCXCDKDPYBU-LCUIJRPUSA-N 506.587 6.075 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C(C)C)cc5)cs4)cc3C2=O)c1 1872752197 QYMKYZANSYOZAO-FVDSYPCUSA-N 519.626 7.301 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872791923 YGVGVXBDFJMWEW-OQLLNIDSSA-N 513.427 7.470 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915107960 YEWBOPIATDRLAE-NSHDSACASA-N 510.089 6.089 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)s1 1922895836 ZTRQKFAFOLUMSJ-LURJTMIESA-N 574.777 7.344 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583533 LIDAABHNGAJOOU-BQBZGAKWSA-N 511.943 7.544 50 10 KKGE ClCc1nc2cc(Cl)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2003248719 YNJMQUDTOQHUFR-UHFFFAOYSA-N 517.298 7.284 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1C 2039502686 KBNCNWWWHRJJTI-ZETCQYMHSA-N 513.929 7.696 50 10 KKGE CC(C)C[C@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495491 QVAJXALNCNMRTC-WPPNPWJKSA-N 526.332 7.699 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCOC1 2085496229 QIERURKQYOFTFQ-PWCHPLFNSA-N 526.288 6.443 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2104786370 FBDZEMVBKKRCHY-ZCFIWIBFSA-N 528.318 7.912 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Br 2144773072 CHZXULQZZZHBOP-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Cc1cc(C)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206403128 GTHDOOZOQKVCJP-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Fc1cc(F)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405078 FPDQHDPQGKDHJL-CYBMUJFWSA-N 554.248 7.343 50 10 KKGE ClCc1cc(Br)c(OC[C@H]2CC2(Br)Br)c(Br)c1 2213086527 YWJQAHHYJOYAKA-SSDOTTSWSA-N 512.261 5.835 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2218596132 CZXXZKQCAADWET-JTQLQIEISA-N 505.805 5.331 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)c(C)c1Br 2227360240 QKIHLENWYCGLEV-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1C 2237631739 NQPFFHMZUPHUMI-GFCCVEGCSA-N 631.247 8.506 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1OC 2293202161 LXMDKGSFKVWHEB-UHFFFAOYSA-N 544.504 7.554 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(Br)c2)C(=O)NN=Cc2ccc(Cl)cc2)cc1 2294217722 DDQLNOJNGNMPMG-UHFFFAOYSA-N 525.834 5.090 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc3c(cc2Cl)OCO3)cc1 2295116822 NWTGTNFKVZWQLS-UHFFFAOYSA-N 553.446 5.490 50 10 KKGE Clc1ccc(Br)cc1CO[C@H](CI)c1ccc(Br)cc1 2295173636 NUHFTEVNDFVNIG-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458625 MNYNVDGISUUWMN-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE Cc1scc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 2303644969 XBJLMQZFBWRGRJ-SSDOTTSWSA-N 544.353 7.543 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518434 CKDGHLLXUSMPRP-UHFFFAOYSA-N 607.275 7.348 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1 2313518734 QGSWNSXYUPBZEG-UHFFFAOYSA-N 524.358 5.102 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314490293 WQLOLBWBDQMKKO-UHFFFAOYSA-N 570.251 8.310 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314618929 WYQGYOYLEWQDFL-UHFFFAOYSA-N 552.675 6.042 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cccc(Br)c2Br)c1Br 2362229576 UNGQMXVYTWMBAC-GFCCVEGCSA-N 570.703 7.857 50 10 KKGE Clc1ccccc1[C@@H](CI)OCc1cc(I)ccc1Br 2367609548 ABASNWSDYLYPQQ-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3224300 FDFWWDXAKQEXAE-PDGQHHTCSA-N 550.924 6.528 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)cc2)cc1 12491790 NDNHKFBKEJTLIV-QNKGDIEWSA-N 505.618 6.579 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38660242 NHAMQXGXWFEUOM-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38685151 RLSNXUYMEKUKGB-MHZLTWQESA-N 504.970 5.721 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813716 URKGOFNLJHVDTI-STBIYBPSSA-N 513.406 6.227 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc(Br)c1OCc1ccccc1 40912367 RJZWTWBCQHSFMO-WKULSOCRSA-N 525.443 5.998 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243908 VWNKCIRAEPEIQL-PZJRUVIDSA-N 532.065 6.042 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244495 IQXOYWGRYYEBAS-IDJUBOEBSA-N 502.039 6.528 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101303276 QFZOXLQJTNKEHM-WVGJAKOGSA-N 616.699 5.021 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379641 WUURJYHIFACZPM-RFYICLFZSA-N 569.444 7.409 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379850 WMPAHMPPZBKAMQ-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380681 BQARQQUZLMXLAD-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385427 AGRCQABGUBTTHY-XIFFEERXSA-N 576.649 6.809 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387659 PSMKDRHBJSSYPN-HKBQPEDESA-N 567.041 7.064 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)oc2ccc(Br)cc12 101392096 WMPIOWVNMKIMPR-QHCPKHFHSA-N 570.226 7.248 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101397750 MNRNAVXRISWJIJ-LOYHVIPDSA-N 550.542 5.368 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2c1 101398687 UWANCNSIDVMPRQ-JGCGQSQUSA-N 574.608 7.459 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399967 MSIXTHQIOBEWJA-UUWRZZSWSA-N 618.661 7.858 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCCc1ccccc1 101712993 ISOCHKHGJZYVJH-OCSSWDANSA-N 539.470 6.040 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 102665919 BDBRMWRAOIDPAF-JJMKSGPCSA-N 540.048 5.899 50 10 KKGE O=C(/C=C\c1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 102995219 KYWWIWXZRLGEIA-QINSGFPZSA-N 551.546 5.042 50 10 KKGE C/C(=N\NC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1)c1ccc(OCc2ccccc2)cc1 103562670 VYGWPZWUEPEEEX-LIBFOOBESA-N 576.480 7.132 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1F 103876794 ROLACTJEHGAGPX-GUBAARJWSA-N 543.642 7.663 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 103881184 NYLOLIHTEAWYAP-HPNXWYHWSA-N 564.085 7.848 50 10 KKGE O=P(C[C@H](CCCCl)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 108801140 PPLLYFHVOGNPJV-LJAQVGFWSA-N 506.950 6.402 50 10 KKGE CCC[C@@H](Cl)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920692 DCIQOWDTOXIBKI-JZBDPCPVSA-N 505.227 9.347 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)cc1Br 128768896 JJAYVWNYZVXGJW-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC 137259134 FPWRACULEOPBSB-YTWBPVBXSA-N 538.857 11.235 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433479 FOEUTUDQEJXUQK-XIFFEERXSA-N 643.567 8.706 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498101 KNHVDWMAQLIJCO-GVLKINGZSA-N 645.785 6.061 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 150498767 TUYFZLQVEHVCOR-IURWMYGYSA-N 651.435 8.100 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1I 150645156 LLVOHDTVRABNKK-WZUFQYTHSA-N 668.023 5.511 50 10 KKGE C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@H](NC(=O)COc2ccccc2)[C@H]1SSc1nc2ccccc2s1 161691123 XIWJNWWOPFNDHF-BEJSXWRTSA-N 681.861 7.046 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl 164632731 DVEXOYCHVFECEH-FDALDRLYSA-N 642.981 8.610 50 10 KKGE CCO[Si](OCC)O[C@@H](C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 195850247 TWVXZWZBXSDPOH-LURJTMIESA-N 681.329 7.729 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214240317 JTRFNORPXJDNQK-UQQQWYQISA-N 522.605 5.483 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214241157 UPNKPXJCSHPJKW-CPYLFOLBSA-N 520.633 6.035 50 10 KKGE C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 229711108 IVSAOYOKGQGAQG-IKKLXFBSSA-N 577.710 5.644 50 10 KKGE c1ccc([PH](CCCCCCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 231990450 DSANBYSAJDBELS-UHFFFAOYSA-N 666.870 9.560 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1OCc1ccc(C(=O)OC)o1 254708107 WKIWNPQQQFFWPN-UHFFFAOYSA-N 597.668 6.358 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cc(Br)ccc2OC)cc1 254903848 ZRGNXVQDANFSGW-UHFFFAOYSA-N 562.214 5.212 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]3C=C[C@H]([C@@H]4[C@@H]3[C@H]3[C@H]4[C@@]4(c5ccccc5)C(=O)[C@@]3(c3ccccc3)C(c3ccncc3)=C4c3ccncc3)[C@H]12 261493280 NMQSISRRZCVOFH-XROPBGNMSA-N 588.663 5.470 50 10 KKGE C=C1/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 504040578 DCCWLTTWSBJXFK-CHZFDPDRSA-N 771.257 11.465 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1083994852 APHPORLBZMEGHS-XMMPIXPASA-N 667.338 6.004 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 1084148372 BOBCVVIEKSQYPI-OAQYLSRUSA-N 545.817 5.374 50 10 KKGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084178022 IVXAQVBURCYJRC-JOCHJYFZSA-N 559.460 6.525 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1F 1084219368 NOHOOMHUKACNJJ-LGUFXXKBSA-N 511.597 5.398 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 1084276275 QAJZCSQDLSLCRK-UHFFFAOYSA-N 585.889 7.298 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 1084308611 NGUIHKJCHRQAFT-QHCPKHFHSA-N 637.312 5.995 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2cc(C)cc(C)c2)cc1 1084337283 DUYXVBDRDAUJAM-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084373287 JCJLEDWCGGEXGK-QGZVFWFLSA-N 547.902 6.462 50 10 KKGE Cc1ccc(COc2c(I)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2I)cc1 1084597850 NGKDKPVTDDEJTD-HSZRJFAPSA-N 654.286 5.747 50 10 KKGE FC(F)(F)c1ccc(C(c2ccc(C(F)(F)F)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 1615947127 YJAKWDFWFNMZNR-UHFFFAOYSA-N 565.517 8.808 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747245 MLWXYKQGDZJEPG-UHFFFAOYSA-N 515.569 6.493 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccccc5Cl)c(C)c43)coc2c1C 1772752129 VANFYXSMMONQMQ-UHFFFAOYSA-N 518.013 5.934 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1865684228 NTHCCRJFKHQSKT-JOCHJYFZSA-N 517.814 6.232 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865685682 LHJQTEUVBZVLDS-XMMPIXPASA-N 511.423 6.643 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687935 DHTMNMMBHBCJSU-XMMPIXPASA-N 505.405 6.512 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688150 LERXTVWVUWLQEU-PMERELPUSA-N 534.660 6.638 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689246 NGBSIHAFGFESGS-HSZRJFAPSA-N 559.420 5.302 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OCC 1865691707 ZFJBYAPDXSAUKK-MHZLTWQESA-N 500.643 5.988 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865696907 TYBMYWWGFZXGIL-HSZRJFAPSA-N 542.558 6.086 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Br)c1OC(C)C 1865697472 UEKOVEOSJQMNPQ-DEOSSOPVSA-N 537.458 5.633 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865697656 YUDBDDPUKCLSTH-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc2c(c1)OCCO2 1865698014 HZZBJKCWBRQWOT-DEOSSOPVSA-N 514.944 5.380 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699953 HFJBQIRRDQDFNL-NDEPHWFRSA-N 509.569 6.401 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703049 LQDLFGYNLRPMGS-MHZLTWQESA-N 527.024 6.284 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OCc2cccc(C)c2)cc1 1865705061 LDMXCWGSZCCHDE-MHZLTWQESA-N 508.578 5.304 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705446 WASDILGLMXQNOT-HHHXNRCGSA-N 538.579 5.469 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705899 IXSHDTDDVWEENO-QFIPXVFZSA-N 534.359 5.981 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865707230 RKTHOVYGGKSDIH-RUZDIDTESA-N 547.556 6.334 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709018 LLIOVAOXTQQCTP-KRWDZBQOSA-N 523.298 5.262 50 10 KKGE CC/C(=C\C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866685164 ZZWDATWMWUXMEY-GDNFTRMYSA-N 503.599 5.567 50 10 KKGE C[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866944920 VZQIJRQHGKPFSR-KOSHJBKYSA-N 554.535 6.183 50 10 KKGE CCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034534 RVTCYCKLWWRNIG-SFTDATJTSA-N 542.459 5.159 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3ccccc3C2=O)n1 1872754459 TYXLPPBPIWHZLJ-MNDPQUGUSA-N 500.363 5.604 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 1872754642 CAFCGJPXHYFCGB-SFEBSOCUSA-N 501.608 5.939 50 10 KKGE COc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924583104 FYEFYDPKSIGVQI-ZETCQYMHSA-N 525.907 6.590 50 10 KKGE Clc1sc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2004903345 WVMHOSMVWOMUEI-LURJTMIESA-N 564.771 7.841 50 10 KKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)CC(F)(F)F 2059315173 WAOQUVUCYYEQBK-UHFFFAOYSA-N 501.162 5.097 50 10 KKGE Cl[C@H](c1ccc(Br)s1)c1c(Br)c(Br)cc(Br)c1Br 2085495125 HRSYGIJDQXYKMP-LLVKDONJSA-N 603.193 7.889 50 10 KKGE CCS(=O)(=O)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495467 QKTXRZMONWKEKH-SSDOTTSWSA-N 548.316 5.451 50 10 KKGE Fc1cccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1I 2094667141 VHXKCACDCDUIPF-LBPRGKRZSA-N 516.011 6.616 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)cc2Br)c1Br 2138848869 BVAQFCASCFUUDQ-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCCC[C@H]2C3)c1Br 2141468909 PBWVCISRESRAKR-GTNLGMRDSA-N 580.778 7.753 50 10 KKGE CC1(C)C([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(C)C 2141470224 FKAJCELWVGJLJE-NSHDSACASA-N 582.794 7.855 50 10 KKGE Clc1sc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141470292 GAEDLNITUZENLG-JTQLQIEISA-N 637.638 8.542 50 10 KKGE C[C@]12CO[C@]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141475306 LNFSIVROAKCVGL-UPJWGTAASA-N 582.750 6.742 50 10 KKGE C[C@H]1OC2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141475531 OLIGGDKHOSFMRF-FZXYFAMSSA-N 582.750 6.740 50 10 KKGE Clc1cc(COc2cccc(CBr)c2Br)ccc1I 2142949590 LCPZJRBZMBDUQD-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1 2173211744 CRRIXICQXNYVFE-MRVPVSSYSA-N 519.446 7.828 50 10 KKGE Cc1ccc(C)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405436 KLUULLKIQZJRDF-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2234056027 FSYCTWOLNCWBMV-NWANDNLSSA-N 509.673 6.164 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2255900504 HEBHOLHYWZZHPO-MRVPVSSYSA-N 544.836 7.045 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198190 GKARXHQCKRTHNM-QHCPKHFHSA-N 552.881 5.845 50 10 KKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2293202148 JKVNLKREIUTQNT-UHFFFAOYSA-N 528.505 7.936 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2293202184 RJSCHRNBFSMFKA-UHFFFAOYSA-N 520.441 7.165 50 10 KKGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2294510970 ICVGOSVZUNSXED-UHFFFAOYSA-N 518.334 5.215 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(O)c(OC)cc(Br)c2Br)cc1 2294956809 GPVRIJDDMATYOE-UHFFFAOYSA-N 644.364 5.693 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834362 BNPLJXGVCNHCHD-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 2297458543 RXNGESMYTCFYOO-UHFFFAOYSA-N 523.658 6.741 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 2313568022 NTLDZJZOAMWNMB-UHFFFAOYSA-N 638.218 6.468 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c1 2314476911 XVINIEPFLUJCOV-UHFFFAOYSA-N 588.755 5.997 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1C 2314494413 IRKIDZZGAWZZKW-IBGZPJMESA-N 545.134 7.953 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591860 GIJVMSZRQNIVJA-AREMUKBSSA-N 560.517 6.946 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592292 QBQJKRNWVZDNHB-VWLOTQADSA-N 502.039 6.330 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592638 ZCPPMFSJFSUVJZ-VWLOTQADSA-N 562.489 6.221 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 2314610153 DCZBINOAWUUFID-UHFFFAOYSA-N 522.649 6.499 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C(C)=C(C#N)C1=O 2314611114 QXPBBLJOXYLUJH-UHFFFAOYSA-N 508.622 6.029 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643303 OXNQOBXWKMQFAV-XIFFEERXSA-N 647.942 8.461 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643314 PYIBWHQRYGLCSB-MGBGTMOVSA-N 597.042 7.294 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2csc(I)c2)c1Br 2315445109 HVHLSXQCDGKGRQ-VIFPVBQESA-N 589.287 7.155 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331255893 GDPSUMDHACOASQ-UHFFFAOYSA-N 511.647 7.031 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2cc(OC)c(OC)c(OC)c2Br)n1 2331281732 LHOPSCKDGOLKJL-UHFFFAOYSA-N 503.374 5.557 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c1 2331450629 HNABPIUSIFIFRT-UHFFFAOYSA-N 522.218 6.122 50 10 KKGE Fc1cccc(C(CBr)(CBr)Cc2sccc2I)c1 2338749979 OBLDIKQBUIEPCQ-UHFFFAOYSA-N 518.027 5.762 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)c(Cl)s2)c1Br 2365194498 RIAWKPMPKSQRGB-LLVKDONJSA-N 503.481 7.036 50 10 KKGE Clc1c(Br)ccc(CBr)c1OCc1cc(I)ccc1Br 2367518911 BNWYMQWHFPWGLB-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCCC2)c1csc(Br)c1Br 2369635449 UYZMRSXSIUJFQA-CYBMUJFWSA-N 501.465 6.689 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 10331673 HRWFVVMNGPQNBX-UHFFFAOYSA-N 511.416 5.034 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1 14832187 WODGVFNDVJNEFL-SFHVURJKSA-N 511.416 5.235 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(=O)n(-c2ccccc2)n1C 29491195 NTRPXMVUFQRVRT-DIBXZPPDSA-N 675.576 7.769 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38608473 ILUKDXFSMUHAHC-CVKSISIWSA-N 510.565 5.904 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)c(C)c2c1 38700582 QODWYDGGVJWVAW-HSZRJFAPSA-N 505.357 6.794 50 10 KKGE COc1ccc(C(=O)N/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc23)cc1 59463014 JPIINCJZZVSXPQ-FJEPWZHXSA-N 509.440 6.332 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 59676630 NXWZILAACWEDEZ-HKOYGPOVSA-N 502.014 5.573 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c(Br)c1 66201453 SFICZZVTPDNNSA-UHFFFAOYSA-N 505.453 5.040 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 98064692 BSMLWKFBNMAXHE-KBMSDVMXSA-N 500.429 6.655 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 100232133 AJXLSXMBOZWIFO-SLLOZXFSSA-N 545.861 6.044 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244934 PSXWXLBFBZCKSM-RAMZYJDASA-N 502.039 6.276 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101293458 DKYAKTFFSJBRAP-XIFFEERXSA-N 592.623 6.806 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101314506 ONASHFGUKYGJPV-AREMUKBSSA-N 533.378 5.216 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101337570 HQRPMTQXWFTHAG-PBDRQVQOSA-N 556.666 6.990 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101337707 RFPAVPZLGZTZKT-GQRGRSSYSA-N 625.128 8.125 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101339774 JZNIGIHBGZPKEM-RGVLZGJSSA-N 517.335 5.230 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)ccc1Cl 101381739 OYTXQNSTHAVJEH-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384060 LMRRHQMVJFHXKG-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385841 ICVTZKKTEGTRIN-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387110 DYLGZVVFRIIESU-MJXKIBSNSA-N 578.596 6.259 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)c(OCC)c1 101389698 NUXDJWDKDUIGOR-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101395707 GVPXYJUPCUBVGA-WJOKGBTCSA-N 601.099 8.108 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2c1 101398958 OUSRFSYKKAQQQP-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613579 UMXDYNIPEKEDMO-GZZLJNBRSA-N 532.427 7.285 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 101619568 DYNHWZIQKYPCQR-WEMUVCOSSA-N 538.431 6.909 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@H]1CCCO1 102836171 FWYUTOVAEYRSSH-FCFRYEAASA-N 573.480 6.627 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1 102933438 MHPKELXSQDOBQI-ODLFYWEKSA-N 569.355 5.641 50 10 KKGE N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 103649556 SWBQSCMUBDRHRJ-ACAGNQJTSA-N 516.759 7.259 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 103796808 VVZUMRIMGSUMFD-ODNPBWNPSA-N 616.918 8.351 50 10 KKGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1Cl 104997850 OOJXVHXARWRFNY-MEFGMAGPSA-N 517.210 5.479 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)CC1 110557388 CCXOHDVPRSJICI-NCELDCMTSA-N 557.720 5.316 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150388449 YWQAHXDPGCQLQG-LLVKDONJSA-N 650.176 5.540 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463045 IBFIOVSQCFKMKZ-GDLZYMKVSA-N 698.411 9.540 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479173 NLXKORXWIOOIKY-VZFGLYLFSA-N 638.334 8.716 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N 163796403 XCJMMLKNEJXKTD-JRZNSJKLSA-N 629.558 8.158 50 10 KKGE CCN(CC)CCNC(=O)c1c(C)cc(C)cc1SSc1cc(C)cc(C)c1C(=O)NCCN(CC)CC 196550963 GCMRMIDHCOXXOT-UHFFFAOYSA-N 558.858 5.863 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C\[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)CCc1ccccc1 205879331 JKHADYMACPRLAF-JQNFJFDLSA-N 596.840 8.410 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206501609 IEUFFHDMIYWSKN-SZCBAIQASA-N 544.604 5.708 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1I 233784345 VUFPGIDPHZACCA-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE Clc1cc([C@H](Br)c2ccc(Br)cc2Br)sc1Br 236071241 LCVYJKVRYODBDJ-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530915 DSFGYHDOOABSRG-MTCVFASGSA-N 672.222 5.917 50 10 KKGE biogenic O=C(COc1ccc2ccccc2c1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254347695 GRNYGNGBTHMVHD-UHFFFAOYSA-N 552.634 6.801 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc1 254521688 QMMKMAVMENQWDK-MUUNZHRXSA-N 512.631 5.548 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 254555666 DLOSYHUAIHSMDA-UHFFFAOYSA-N 568.636 6.480 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)NN=C(C)c3cccc(C(F)(F)F)c3)cc2)cc1 254697165 LJCYOJRZZRNADT-UHFFFAOYSA-N 595.643 6.259 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)sc2c1CC[C@@H](C)C2 254828247 IWVZRMDPVDJROT-LJQANCHMSA-N 533.650 5.026 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C)C(=O)[C@H]2Br 256019413 ZSXKEJHPKZQIOA-HDYGBLQKSA-N 700.512 6.607 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2I)C1 382703237 DKMKRUSUKVOAID-MFKMUULPSA-N 545.053 5.399 50 10 KKGE C[C@@]12CC/C(=N\NC(=O)c3ccncc3)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\NC(=O)c3ccncc3)CC[C@H]12 504372742 ZYEHQFGKBKGWDM-INVJPJAYSA-N 524.669 5.311 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O 616575603 FIAYIYKWRBIBQG-RDXUMUMISA-N 634.601 6.657 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 719541825 YTNOQFPKGJZESG-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(Br)ccc1Br 721605396 SURRNZDFQGFLEJ-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)OC)cc2)N3)S(C)(=O)=O)cc1 725407742 ZQNIFENWVBMTTR-CPEGRYNBSA-N 616.740 5.005 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 725440401 WCTILKSSOMUARC-MHZLTWQESA-N 520.601 5.504 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 1083877698 CQXABQMITDQATE-HSZRJFAPSA-N 558.416 5.233 50 10 KKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1083974733 VLEPEIKBIMRUHK-XMMPIXPASA-N 663.594 5.047 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1 1084176608 KMEMHZPECHRSRS-UHFFFAOYSA-N 639.221 7.832 50 10 KKGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c(C)c1 1084262523 FDDJKZNQHWXGPH-UHFFFAOYSA-N 517.585 6.572 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)Cn3nnc(-c4ccccc4Cl)n3)cc2Br)cc1 1084298132 OWRYGJRONCKNOT-UHFFFAOYSA-N 618.717 5.556 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1C#N 1084303335 RGBHEBOWPCYAIF-FSJBWODESA-N 555.432 5.656 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1 1084467977 NKJRFMASMLBCDZ-UHFFFAOYSA-N 555.520 6.487 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084500346 VFVBFOPYAXJKFI-UHFFFAOYSA-N 582.509 6.226 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 1084645634 WGWRZXDXPHDGKY-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1cc2ccccc2cc1O 1565517289 DNLLWVDFRFFLDF-BHVANESWSA-N 666.738 7.272 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614701163 IAGVCPCCGGMFOS-RHSMWYFYSA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747377 HANLKCLOJQAPKO-UHFFFAOYSA-N 508.962 5.996 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865686903 DQPUCFIKGSJXIB-XMMPIXPASA-N 513.425 6.283 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865688005 GIDNACVYSBPVOL-OAQYLSRUSA-N 510.903 5.984 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688254 NXJPSAWIPIOYRK-MUUNZHRXSA-N 532.575 6.126 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688363 QJXTWYZDUGHABV-SSEXGKCCSA-N 534.660 5.959 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692403 BHNJTVGXMUNMKY-PMERELPUSA-N 534.660 6.388 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865694023 TXKGVTHBIFLSKY-SANMLTNESA-N 557.050 6.276 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696382 FIOJRLYIPOVLLQ-PMERELPUSA-N 552.650 6.261 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c2ccccc21 1865698683 AGAVQEWAYWHFQC-SFHVURJKSA-N 514.305 5.363 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702501 BAIXJHQDTWLZDW-SANMLTNESA-N 517.416 6.593 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865703396 VCXGCAVYSHLXOL-AREMUKBSSA-N 560.576 6.455 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H]1c1ccc(F)cc1 1868415011 SYQZABMEAQBFQZ-RUZDIDTESA-N 531.060 6.746 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc(C)c(C)s4)CC3)n2)cc1 1868527665 FRVCQHYVDBUZHK-UHFFFAOYSA-N 542.734 7.316 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872751036 QVOLXDMACSIVMI-RJHYDAJSSA-N 517.876 7.784 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C(C)C 1872753652 HTJHIQNMPMKUKF-QOCHGBHMSA-N 516.450 6.780 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872782962 ZEKQCOKOFPPLAC-FYJGNVAPSA-N 520.611 5.818 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1OCCC 1872817872 BAXKTSQGRXJKGD-GFMRDNFCSA-N 513.641 5.709 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1924593249 CTDZJOGJEKKEOC-SECBINFHSA-N 582.775 7.591 50 10 KKGE CC12COC([C@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2025087883 JUEXWECJIYWXID-CAZGOSDBSA-N 509.883 6.041 50 10 KKGE FC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782112 GIORKFCLXRTUSC-OBXARNEKSA-N 558.703 6.778 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)sc1Cl 2026221776 PDLCXOFMSROYRQ-NSHDSACASA-N 506.428 6.561 50 10 KKGE COc1sc([C@@H](Br)c2ccc(F)cc2I)cc1Br 2034629303 MHWNQMKPPCOUJT-NSHDSACASA-N 505.972 5.747 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O 2049382683 ILAHABFZFGBZNM-SANMLTNESA-N 527.778 5.882 50 10 KKGE C[C@@H]1C[C@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2085494630 MZDJDHOBYQNASX-RGORQWHNSA-N 566.751 7.219 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@]12CCOC2 2141468382 JLXGFHCZWBZQGJ-UAMTVZLOSA-N 538.299 6.443 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2141474544 BPTFGWNSQMCDAV-BZNPZCIMSA-N 580.778 7.609 50 10 KKGE Clc1nsc(CC(CBr)(CBr)c2cccc(Br)c2)c1Cl 2167231581 MTYGVBFCCCNVFX-UHFFFAOYSA-N 522.915 6.483 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)sc(Br)c2C)cc1I 2218811113 VFIPUXIWZAHNTL-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1cc(I)cc2c1OCC2 2226125842 ZDIZRUNQFXCBFD-GFCCVEGCSA-N 514.020 5.843 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)s1 2233008846 KMEDCRGZMBDJOS-ZDUSSCGKSA-N 506.030 6.633 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278104118 WTDYAPKZDMNMJD-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)ccc1Cl 2288494179 CJRYCSORPWPIBM-LLVKDONJSA-N 509.797 7.281 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2297459149 JBJMIZBJOBUGMB-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(I)cc1 2313556333 VYJWQAVKRWULOO-UHFFFAOYSA-N 670.345 6.779 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1Cl 2313570984 KUPVQLWFPCIJEJ-UHFFFAOYSA-N 613.666 7.385 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313571310 SAHKFVQOBJLPSI-UHFFFAOYSA-N 611.150 8.916 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 2313667760 VIMDWXMEPIHVKL-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 2314533364 QOESDDMBLMOGEK-UHFFFAOYSA-N 521.758 5.448 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592138 MLPWQURPZKXJQC-AREMUKBSSA-N 549.618 7.202 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593203 JHKXXIMYMZQZGK-MUUNZHRXSA-N 525.674 5.951 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OCC)cc1 2314593438 MXMFPAAZHWSZGR-FQEVSTJZSA-N 502.423 5.121 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314618144 IBELUPXSZHNHEN-UHFFFAOYSA-N 531.641 5.839 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 2314640665 IZQXDSIUDQHTNN-WJOKGBTCSA-N 500.554 6.103 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2317772256 AMKRPTJXZSKIIZ-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)nc2c1 2331046461 ANDOIHJIISZORG-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c(C(C)(C)C)c1 2331353882 IAAOMGOACBQRRY-UHFFFAOYSA-N 506.668 7.428 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2337082904 RJGRLNMELXHISJ-VIFPVBQESA-N 540.250 5.984 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1Br 2365229741 CSJUZNSGWZNLDW-SNVBAGLBSA-N 612.801 7.599 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 34719061 SJTCDLHZSZFKSG-PCLIKHOPSA-N 506.052 6.643 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38681311 YCZZLINSEZTNNY-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 38683918 FQGDUUQVAXMWHL-PMERELPUSA-N 528.605 5.694 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 38684130 LWHSPIQCQNVHAY-AREMUKBSSA-N 504.970 5.821 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38685277 KSZVWTJHCGBEMV-GDLZYMKVSA-N 510.634 6.990 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1)CC3 39881542 RZEUWICKCXWJKN-UHFFFAOYSA-N 501.384 5.075 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811827 FXEJMNYYMCVZDE-NDZAJKAJSA-N 517.383 5.621 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1C 40935238 LBBFPZPATIDFDQ-XQNSMLJCSA-N 502.567 5.283 50 10 KKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 40935967 IKGRLQRFXKARDM-BJMVGYQFSA-N 509.556 6.018 50 10 KKGE O=S(=O)(O)c1cc(/N=N/c2ccc(N(CCCl)CCCl)cc2)cc2c(S(=O)(=O)O)cccc12 95742397 AZKAYVZYOJQXRF-WCWDXBQESA-N 532.427 5.033 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914983 SJYLDCRVDFQSBJ-HHHXNRCGSA-N 519.057 5.771 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(C#N)/C(O)=N/c2ccccc2Cl)cc1C 97966729 UIYQJJPTFGQQDV-CCUBOOHYSA-N 556.902 7.978 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100185709 SYGVRVVAWJLRAK-UHFFFAOYSA-N 552.469 6.044 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241337 SFCKOYRJQGCHES-RAMZYJDASA-N 502.039 5.700 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 101339263 XMEGPCXOTNZVHX-MWAVMZGNSA-N 602.691 6.180 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1 101340086 QXDIHVMQKXOQFW-ZVHZXABRSA-N 512.537 5.214 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362464 IDRPTIADAPIMKT-HKBQPEDESA-N 532.596 6.085 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1 101367583 RYWUUNDZHQQHKM-HKBQPEDESA-N 569.013 6.130 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 101373674 QFLPOWCCJAPBOC-KWMCUTETSA-N 532.568 5.604 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101373902 NFCUMKILZGEKIA-MHZLTWQESA-N 529.549 5.610 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 101374942 URROLYWVJGGHQE-TZIWLTJVSA-N 538.644 6.656 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380901 FRTVUDJZFLPBIH-YTTGMZPUSA-N 564.613 6.877 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384979 SSIYBVKLZVFSFF-XIFFEERXSA-N 615.513 7.898 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2c1 101397833 GZNDUURFAQOIOZ-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1F 101399845 MHTSHYGPMJEMIB-YTTGMZPUSA-N 590.607 7.295 50 10 KKGE C/C(=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(OCC(=O)N2CCCC2)cc1 102979553 UMERHQQCMZEFMU-GTWSWNCMSA-N 544.702 5.744 50 10 KKGE C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 103797242 YWNATZSXVNTACF-WYMPLXKRSA-N 569.193 5.527 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 103984067 XASWKCZDOYGMIV-KXPUHFQPSA-N 614.338 5.685 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566498 BDXCMPLFPAVZAG-PLRJNAJWSA-N 572.422 5.802 50 10 KKGE CC(C)(C)C(=O)[C@H](Br)Cc1c(Br)cc(Br)cc1Br 110163202 KJGFCPGRXYQRRI-LLVKDONJSA-N 505.870 5.895 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430648 ONBXQYVFJSXGAF-GDLZYMKVSA-N 712.438 9.930 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432797 XDJAGNIBJMJYQH-NXZUSSLPSA-N 643.523 7.817 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150476854 JJTLXABHLVNHMV-QFIPXVFZSA-N 656.777 8.581 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)cc2)c2ccc(C)cc2)cc1Br 164601443 YOYJIGXCWHDYDT-PPOKSSTKSA-N 666.594 6.333 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 164626363 SYAQBMOVUSXXDG-ODNPBWNPSA-N 680.373 8.707 50 10 KKGE COc1cc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 169616339 YSVAMRYFVCZCSB-KXJQYHRCSA-N 778.669 5.255 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O 195804863 XOHRAGVYVNTJQV-QGAYDTHSSA-N 600.788 5.194 50 10 KKGE CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1 197212894 VXYNLSQVEGUXLE-UHFFFAOYSA-N 521.052 9.115 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 227831206 FWZWWZNNVKEFME-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(I)ccc1Br 236018179 WIPSCSYJKPLMBK-AWEZNQCLSA-N 500.399 6.339 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(C)(C)C)[nH]1 253576434 VVIMUOMYRKHRSC-FMFFXOCNSA-N 634.855 5.502 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 254398909 AMCLUPNUYWTDLX-UHFFFAOYSA-N 508.651 5.956 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2 254440166 CRZBCLIUAIVWMO-DEOSSOPVSA-N 661.784 6.570 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1c2ccccc2cc2ccccc12 254448699 OHVXHQOFAAZTKG-UHFFFAOYSA-N 574.731 6.875 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 254500623 YFMLLQVCPZHVIN-UHFFFAOYSA-N 571.655 5.649 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)o2)cc1 254508875 ZZQDTKFTMQXKFE-UHFFFAOYSA-N 542.539 6.035 50 10 KKGE O=C(NN=Cc1cc(N=Nc2ccccc2)ccc1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 254588928 IRQYJYKXFFVJJS-UHFFFAOYSA-N 561.645 8.696 50 10 KKGE O=C(CN1c2ccccc2Sc2ccccc21)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254615598 QKSWVJFMOCJMDD-UHFFFAOYSA-N 501.615 6.292 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3cccc4ccccc34)n2-c2ccccc2)cc(OC)c1OC 254627338 SGRYAOWRNJWQGN-UHFFFAOYSA-N 567.671 5.746 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(N(CC)Cc4ccccc4)cc3)cc2)cc1 254906674 BCWSFBFSDUYBOS-UHFFFAOYSA-N 556.688 5.677 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 256019428 WNVASWKCVVHYOC-LUYSKBLCSA-N 645.785 6.313 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](c3cnc(O)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575119006 JPJHNALDAAZFFN-LMNGBUJGSA-N 861.062 9.405 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591373 YUZLCBDCWPRCMA-AXGKCNHXSA-N 620.771 6.056 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccccc2I)s1 688084262 IAPYFQKIJIZDEB-GFCCVEGCSA-N 502.009 5.746 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1Cl 721606702 ANMGZGZVLHYDON-LLVKDONJSA-N 522.352 6.470 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 725396491 HZKSQQWHXGMWHH-XMMPIXPASA-N 580.306 6.698 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725407479 PXABETGVNGKEIZ-UHFFFAOYSA-N 542.919 8.111 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 725419325 AWRKYNLHKRZHMO-RUZDIDTESA-N 599.478 5.488 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Cl 725420861 GUDDNBKLVHDGNA-YBFXNURJSA-N 558.803 6.386 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 1084214704 AAZCIOBGTDJIFQ-RUZDIDTESA-N 586.324 6.483 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccccc2Br)cc1 1084248781 BUYWVCDENIEJHN-UHFFFAOYSA-N 596.934 6.570 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 1084275431 VXLAVOXWBHVZGD-SSEXGKCCSA-N 572.687 6.516 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084437696 NIFXSVHBAACMIT-ROCBYOHGSA-N 529.709 7.959 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1 1084519240 CCFZWRRXKVSFGL-UHFFFAOYSA-N 592.671 6.963 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084619872 QXVFEEBSSZJGAM-RUZDIDTESA-N 583.426 5.104 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)c(O)c(Br)c1 1565517799 JGEYJAMVMDCBLO-UHFFFAOYSA-N 664.768 5.734 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653263 BUZOWZGJDPORHG-NOVAABBUSA-N 586.035 6.671 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720803 YRCPWUJALDOCGS-UHFFFAOYSA-N 670.516 6.682 50 10 KKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772756231 PCUKUDUEUMHNDP-IBGZPJMESA-N 509.444 6.243 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1Cl 1772760527 TZXHMKPOQOZHDQ-UHFFFAOYSA-N 532.474 6.433 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1775963459 CNBLTHBPVHYRAS-WFLUCIJVSA-N 514.911 9.597 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434922 MEIKKMCUTRNHMT-OXNKDINGSA-N 679.405 5.437 50 10 KKGE C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C 1848439520 KNJXRQKJUNTHKA-MHZLTWQESA-N 654.755 6.688 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865687320 OJPOTRWHEMBVTK-HKBQPEDESA-N 554.650 6.713 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865691545 VFCPZINCXUYHIX-OAQYLSRUSA-N 532.950 6.009 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865692314 AVOJIQJZYWCPSD-NDEPHWFRSA-N 508.578 5.385 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865696362 MFFGJPRALDYJSF-VWLOTQADSA-N 537.458 6.129 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCCCc1ccccc1 1865697454 SVSCRSUNXQVKFO-AREMUKBSSA-N 578.566 6.328 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698775 CKTVKGBGHGDRGD-HXUWFJFHSA-N 519.424 5.899 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865701687 BTZBBXHATUYOGQ-VWLOTQADSA-N 530.459 6.910 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702527 BHLRRFOOJRLTBE-HHHXNRCGSA-N 532.003 6.385 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703645 XUORGBGZOIDYIQ-NDEPHWFRSA-N 543.042 6.782 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704073 MDGAOVLXVBHRIU-MHZLTWQESA-N 561.469 6.856 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705121 MUNLXQMBGTXTIO-XMMPIXPASA-N 517.372 5.925 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(Cl)c1O 1865706680 CHJCCMJPSSTXOM-GOSISDBHSA-N 504.896 5.153 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866746365 OOHGLHZLBXAVRQ-LOYHVIPDSA-N 559.801 7.570 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866812091 BRRXGGVAZWAQGI-AREMUKBSSA-N 535.691 5.217 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867089442 SLMUCSPMNWSZDB-WJOKGBTCSA-N 590.680 6.152 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)nc(-c3ccc(F)cc3)n2)cc1 1868455747 AXSKSSXJQCHOLA-WJOKGBTCSA-N 547.634 7.891 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)CC2 1868565439 JNACJKKRTMXGIM-WJOKGBTCSA-N 542.668 7.016 50 10 KKGE FC(F)CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924570177 GENWBSPLPNMCPK-MRVPVSSYSA-N 531.880 7.297 50 10 KKGE Cc1nn(-c2c(CBr)ccc(Br)c2Cl)c(C)c1I 2036848574 PIHCVIOJXMHTSX-UHFFFAOYSA-N 504.391 5.405 50 10 KKGE O=C(NN=CC(Br)=Cc1ccccc1)c1ccc(NN=CC(Br)=Cc2ccccc2)cc1 2042446296 MGXLIYUMFUEWQF-UHFFFAOYSA-N 552.270 6.672 50 10 KKGE FC1CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493365 AWRYUKKKWYPLTD-BIFUPNIPSA-N 528.279 7.155 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCC2 2085496434 WPAQPHACSFPIND-QTTZVWFDSA-N 522.300 7.207 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2I)cc1Cl 2142279402 PSVAHLTXFLXCBA-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)c(C)cc1Br 2142287268 CHVAAKOERPAXPT-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(I)ccc1Br 2145957910 RSNFSPTUFNQPGS-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE ClCCc1nc2cc(Br)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2159873473 HJVDJSORMOIRCY-UHFFFAOYSA-N 559.335 6.705 50 10 KKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2cc(Br)ccc2CBr)C1 2164874709 DJERQENIBXGDDB-UHFFFAOYSA-N 502.241 6.082 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc(-c3cccs3)s2)c1 2205862221 SJLSIKHBEAIXTP-HNNXBMFYSA-N 540.083 7.328 50 10 KKGE Cl[C@H](C[C@H]1CCCOCC1)c1c(Br)c(Br)cc(Br)c1Br 2206396134 SPGWGWPRHVNAOE-GZMMTYOYSA-N 554.342 7.223 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235609797 OSYXCFKAGKXBMS-INIZCTEOSA-N 525.904 7.384 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Br 2279046983 KAUITMHUKKAOTH-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)cc(Br)c1 2288343781 BRQZHXIVFSWUOZ-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Cc1ccc2nc(C(C#N)=Cc3cc(I)cc(I)c3OC(C)C)[nH]c2c1 2297320848 VQISQSIAOCAUKZ-UHFFFAOYSA-N 569.184 5.932 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2300272800 YVKKENLBKGHXMP-INIZCTEOSA-N 515.043 6.008 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1C#N 2313510872 ASXFMJVJHOOCJP-UHFFFAOYSA-N 502.368 5.762 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 2313518131 LSVGSKCWTIRCDH-UHFFFAOYSA-N 505.412 6.508 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501251 VTJWQIVUDWOGBW-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314609971 BCXAOCFYZHWFIT-UHFFFAOYSA-N 563.057 6.774 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314610866 NIPVYPDGKAFLTP-UHFFFAOYSA-N 570.693 7.291 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643362 VIXISSGUDBQQFO-XIFFEERXSA-N 579.052 7.073 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646715 KPYZURLXIDKBQI-HHHXNRCGSA-N 653.160 5.898 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 2314737439 KPAKYOOLHWRNKB-UHFFFAOYSA-N 529.431 5.173 50 10 KKGE COc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 2321721532 ZZUUWFPZCCGHOG-FQEVSTJZSA-N 502.011 5.025 50 10 KKGE Brc1cccc(Br)c1CO[C@H]1CCCCCC[C@H]1I 2340566956 ZDVLMMQGSNDXQO-CABCVRRESA-N 502.028 6.255 50 10 KKGE CO[C@]1(C(F)F)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2343012409 QBCGPIMBLSARAT-CDJVCFPGSA-N 503.428 6.376 50 10 KKGE Cc1scc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 2343552843 IKJVVZCWRHRQJX-ZDUSSCGKSA-N 514.020 5.843 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 2365183470 IJSARPIOANLMSC-HXUWFJFHSA-N 555.104 7.592 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)c(I)c1 2365195525 CBXIWTLYHFUUJK-GFCCVEGCSA-N 597.285 7.401 50 10 KKGE Fc1cc(CBr)cc(F)c1OCc1cc(I)ccc1Br 2367516560 AWGZMGCRHJDJLI-UHFFFAOYSA-N 517.933 5.806 50 10 KKGE Clc1ccc(I)cc1CC(CBr)(CBr)C1CCOCC1 2380528848 GVSQYHOXSLHFLO-UHFFFAOYSA-N 536.473 5.690 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)c(OC)c1OC 2754396 SUKAAZPKCXSYLW-QFIPXVFZSA-N 524.415 5.088 50 10 KKGE O=C(NC(=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8386827 BYOVVIJDQVAULB-UHFFFAOYSA-N 632.574 9.449 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 12570189 HONKYGIKIWHIGM-UHFFFAOYSA-N 502.423 5.155 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3ccccc3oc2=O)cs1 35519713 IUSDCHODCBCOTJ-WOJGMQOQSA-N 512.572 5.455 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 38658548 IIRUDGXDCOXPDO-MHZLTWQESA-N 500.551 5.176 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1c(Cl)cccc1Cl 38680090 IHYSUSIFNBUWCO-JOCHJYFZSA-N 501.753 5.849 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 38686316 PPGHDKMBKMLTBX-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CCC)cc2Br)cc1OC 40960096 IXCYDOCXWKHJHZ-WPWMEQJKSA-N 505.453 5.898 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 59297251 RRLZVWZZGSRIHG-CIAFOILYSA-N 511.405 6.203 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 100097512 LNORELMSNCVZJR-UVUYFVAOSA-N 555.107 6.667 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 100452077 WSQLELKMRIPTRW-DHCNTSDESA-N 570.698 6.952 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101334978 PJUKTZRKJZKDPQ-MTDXEUNCSA-N 530.653 6.444 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101335642 GEVQKTWLERMKNO-VUTHCHCSSA-N 593.083 6.400 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 101374134 PGNSVQYJWNUUAI-LJAQVGFWSA-N 533.024 6.284 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387809 LSAWMNLMBMJAIY-PSXMRANNSA-N 618.730 7.979 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387850 KCEONOGIAHPHTE-KATKFWMUSA-N 594.639 6.703 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)oc2ccc(F)cc12 101390953 FXEOZEAUMDJSJL-SSEXGKCCSA-N 546.554 6.897 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101395806 KNKPCOHITGCJNE-WJOKGBTCSA-N 566.654 7.311 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2c1 101397800 ABCMPIOSAVQUAD-YTTGMZPUSA-N 574.608 7.459 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101398083 BUVZFOIWNLQNGR-IHLOFXLRSA-N 532.552 5.229 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1 101511887 FIWNTOFSHCHYSJ-RGVLZGJSSA-N 521.367 5.589 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101614908 XKJQRRPAAUUTAO-HIWRWHBISA-N 551.415 5.007 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 101710621 YRNYFIBEDJBPPS-CPNJWEJPSA-N 603.254 6.577 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 101775001 HONMPIHPEBBYHU-IHXXIJMMSA-N 540.616 5.725 50 10 KKGE CCCC[C@H](CC)CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 102834331 SCLJTPCEDWJYJX-NSSVPSLESA-N 567.133 8.011 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3scc(-c4ccccc4)c3C(=O)OCC)o2)cc1 103757628 PBDYKMLVUPKYBA-JWGURIENSA-N 540.597 6.574 50 10 KKGE N#C/C(C(=O)CSc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)[nH]1)=C1\Nc2ccccc2S1 103908078 MCJBUMIIILUCRX-BWAHOGKJSA-N 528.684 6.145 50 10 KKGE O=C(OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)c2ccc3ccccc3c2)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@H]1OC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 150353428 PRONQFJAGNKACV-ABOIGXJOSA-N 837.906 9.961 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150402344 YNGHWILXGVZJSA-WVGJAKOGSA-N 634.783 5.958 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(F)c2)cc1 150410982 IVWHTEITKSCXKS-WJUWAZFDSA-N 714.775 6.183 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150483017 WWKLASFLPHIFSS-MHZLTWQESA-N 702.830 10.185 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1 150497473 VPRKRGWPGOJKNB-SBWWSWLISA-N 670.769 8.115 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1F 163353526 NTZAVVLOSBIMPM-JAVCYFNSSA-N 615.321 5.932 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 214233033 YTORLAXEXZAKNM-USHMODERSA-N 522.649 6.419 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214241222 SHQWNFZLXIPEOV-USHMODERSA-N 536.676 6.808 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214373992 HZBHODKDBZMPDV-ONUIUJJFSA-N 552.627 5.516 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@H]2COC3(CCCCC3)O[C@]21C 248138627 AVIXBZQDRWPISB-FAOMPSFFSA-N 520.786 7.450 50 10 KKGE COc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccccc1 254292564 RPVFZGAEWQGESU-YTTGMZPUSA-N 551.668 5.812 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254390982 AFVWLRCCCGQABF-UHFFFAOYSA-N 528.561 5.247 50 10 KKGE CC(C)(C)c1cc(CCC(=O)NN=Cc2cc(Cc3ccc(O)c(C=NNC(=O)CCc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c3)ccc2O)cc(C(C)(C)C)c1O 254625017 UTIHQNYSTSEDSY-UHFFFAOYSA-N 805.073 9.456 50 10 KKGE COc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@@H]3Br)C4(C)C)c(OC)c2)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 256019880 JYXNTDAPFPRGLE-GAWTXKOESA-N 758.548 7.566 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025393 ZABGVVSMPPOCTH-GXBYVZJBSA-N 728.779 12.831 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1C 256028434 LWXZPVLKXRQQHZ-UHFFFAOYSA-N 518.664 5.734 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1cc(I)cc2c1OCC2 312328934 IRWDCNJVKFNMMP-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)CCC(C)=O 616583201 NVXCQIGISGANFA-GHHTZWMQSA-N 524.752 5.250 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586803 HODUUTHQNQITGS-JOVYHXDPSA-N 779.062 9.261 50 10 KKGE CN(C)[P@](=O)(Cl)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 616587178 HRNHOEBQNIMEGD-GAXPORQRSA-N 722.186 7.195 50 10 KKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)s1 689547305 WGZYDFUQQKMIQY-GFCCVEGCSA-N 545.916 6.845 50 10 KKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c(Br)s1 689547309 WGZYDFUQQKMIQY-LBPRGKRZSA-N 545.916 6.845 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@H](Br)c1cc(Br)sc1Br 712577116 DBOSPTPLLQAGDN-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE BrCC(CBr)(Cc1ncc(Br)s1)c1ccc(Br)cc1 713641107 XWIPIMKXNJHFNO-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1 725385950 CQNNYXMPEKHLNM-RUZDIDTESA-N 573.459 5.929 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1 725397562 CPWHXPCCTCVLDC-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1084067099 WWCNVTGSWBHDAL-VWLOTQADSA-N 511.018 5.599 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084133259 YVVDUMIPOACTIU-VIZOYTHASA-N 646.081 7.624 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(F)cc1 1084134810 QRGBJWJJEKWRSM-UHFFFAOYSA-N 590.243 6.839 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 1084179003 SRKGRGWXWIZVES-UHFFFAOYSA-N 550.055 6.337 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084394908 RCMAYOSKBFGWQU-UHFFFAOYSA-N 656.553 6.821 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)c(OC)c1 1084399761 CJDMIRHQOGFCBF-UHFFFAOYSA-N 675.385 5.277 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084610135 RLWCCFRVGIJZPR-HYARGMPZSA-N 536.415 5.526 50 10 KKGE CC(C)(C)OC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C3)cnc2N)cc1F 1531862230 JNRFXJPLJBKLSF-QGCDCVKKSA-N 519.709 6.816 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Br)c1 1772754991 FHSYGEJEYWHYBX-UHFFFAOYSA-N 661.441 7.555 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 1772760427 LLRDDNVKTLKYOH-UHFFFAOYSA-N 516.406 5.965 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1c(F)cccc1Cl 1865684876 AWXSKELGEUGPGW-CQSZACIVSA-N 513.676 5.664 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865688456 SHRWISCQZZAJJV-FQEVSTJZSA-N 533.785 5.117 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691996 HAASWBVCYLZHEJ-DEOSSOPVSA-N 544.995 5.445 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695257 ATSBRTWNHCTBRS-QHCPKHFHSA-N 563.839 5.947 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCCCc1ccccc1 1865696699 JAYLCCMIMLKXJA-LJAQVGFWSA-N 534.660 6.444 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700756 CWCSXWSWZVVELR-HHHXNRCGSA-N 563.460 7.127 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706410 WDEMWGFRHVXQGO-HSZRJFAPSA-N 529.940 5.336 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710581 BYAXRBGGHNRREC-QFIPXVFZSA-N 506.915 6.489 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712422 YBDSQMWUPLKGRP-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccccc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866718380 UCNUXPMZZROAGX-WUFINQPMSA-N 527.646 5.435 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866798239 UVVWQPWCGFRNAL-XMMPIXPASA-N 550.478 5.741 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)ccc2nc1O 1867068428 ZKFLFSBTSKJWBG-HHHXNRCGSA-N 510.619 5.676 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1868387904 BZWBNYLFLOHKHE-IFMALSPDSA-N 505.644 5.465 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872752185 QSTCWIDFAZIJCN-RFBIWTDZSA-N 505.599 6.680 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(Br)c1 1872752472 DPIAHSNKAVUECE-JZJYNLBNSA-N 513.413 6.516 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1872757161 SQCZOWIVGJDIPQ-LCUIJRPUSA-N 503.023 7.395 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 1872759121 FCQIUYVTNGPKFS-FWORZXNSSA-N 507.395 6.403 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1sc(Br)cc1Br 1922907915 ZRIXZVDUNIXINN-SECBINFHSA-N 509.908 6.890 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 1923055278 RHIBHJVOKDKSHI-QMMMGPOBSA-N 558.742 7.780 50 10 KKGE Cl[C@@H](c1cccc(Br)c1Br)c1c(Br)sc(Br)c1Br 1924615727 FOMOUNSXXHTIRP-VIFPVBQESA-N 603.193 7.889 50 10 KKGE F[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586445 QSBZEGZVTBWXEP-FONMRSAGSA-N 513.768 6.372 50 10 KKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2019621330 ARNWUNQPNAWGTO-RRKCRQDMSA-N 511.899 6.287 50 10 KKGE C[C@@H](CCCl)C(=O)c1c(Br)c(Br)cc(Br)c1Br 2025783923 XIFYMOWCTXIBCI-YFKPBYRVSA-N 512.261 6.184 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 2029239970 YHDRNQJGIKVGNM-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc(Br)cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053614139 BZDJOOAXNTTXEI-WBCKFURZSA-N 632.546 8.782 50 10 KKGE CCCn1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2059311716 ASGCTQLDYNZOLR-UHFFFAOYSA-N 518.521 5.116 50 10 KKGE CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc(C(C)(C)C)c1 2060322702 ZPYUXRRZWIRZJV-UHFFFAOYSA-N 678.941 12.314 50 10 KKGE C[C@@H]1CCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495123 HQMJMNRKWXVBMY-FWXDICJISA-N 524.316 7.453 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)c(Br)c1 2094091209 QHTDTYISPAUNND-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCCCC1 2116023493 SNTNFHGTPGWAQA-NSHDSACASA-N 537.981 8.222 50 10 KKGE Cc1nc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136376703 IJXZQISIPBOSTL-LLVKDONJSA-N 532.921 6.840 50 10 KKGE CCCC1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141467689 AVZHBETZLVLNQV-HLCFFCTHSA-N 538.343 7.843 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1I 2207111846 SXOHBJMEOOXUSU-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(I)c2)c(C)c1Br 2227348448 NRVXVSGXCQYRMX-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2232834588 KWXAHTQUDCYRRP-AWEZNQCLSA-N 658.191 7.978 50 10 KKGE Cc1sc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1C 2278025808 TUMNIPBSLYKXBH-LBPRGKRZSA-N 501.128 7.650 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2288348873 JQBLKWUKDIBISI-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 2293198333 VOJQYIPBQUIWAV-VWLOTQADSA-N 546.490 5.543 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2293198401 HAJFEVCWCQYDMK-QFIPXVFZSA-N 504.409 5.514 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2295421910 SXHRDQVSYWMCIW-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507149 VQISTNWAYBRWSF-MHZLTWQESA-N 530.093 7.056 50 10 KKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 2297295796 JUYLFDUFVYXNQM-AREMUKBSSA-N 555.428 6.117 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(I)ccc1Br 2303547091 NZYBZYYAXOJGLS-HNNXBMFYSA-N 567.059 5.154 50 10 KKGE Cc1c(Br)c(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 2313556670 HYSDCIUEYHERLG-UHFFFAOYSA-N 578.102 6.927 50 10 KKGE CCOC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571078 MVUDPCNZBCEQCQ-UHFFFAOYSA-N 532.605 5.897 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313571245 QPKRJAPEOSLDFD-UHFFFAOYSA-N 591.245 7.187 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C1 2314432713 DPHRPGAFRIBYIU-QFIPXVFZSA-N 576.682 5.673 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593096 HLPOWKMHRFCKSL-DCFHFQCYSA-N 530.093 6.767 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593746 SEOKCMASAUMCAE-KDYSTLNUSA-N 511.647 5.697 50 10 KKGE CCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314610223 FOFOGLPGPSBPBP-UHFFFAOYSA-N 513.421 6.363 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 2314617093 QOHNHJCQZJBHOU-UHFFFAOYSA-N 649.729 5.091 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 2314737383 FFRAOLIAPLXPJN-UHFFFAOYSA-N 554.868 7.457 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2sncc2Br)c1Br 2315439845 KCMYJJGQBOWTDN-MRVPVSSYSA-N 543.275 6.707 50 10 KKGE CC[C@@H]1C[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2320371829 YAMMPYSPWMJSQD-MATHAZKKSA-N 524.316 7.453 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1OC 2320486362 CAHZLJNPLNLINK-UHFFFAOYSA-N 508.625 5.022 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1 2331238761 SYYDTDKMZDUTOB-AWEZNQCLSA-N 511.828 7.639 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331340690 QSTCWIDFAZIJCN-UHFFFAOYSA-N 505.599 6.680 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336087679 ZEUMLZAWZHHAMW-HXUWFJFHSA-N 543.068 7.722 50 10 KKGE ClCc1cc(Br)cnc1OCc1cc(I)ccc1Br 2341552877 SHXQGJQDNOOVEF-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE BrCCN(Cc1ccc(I)c(Br)c1)Cc1cccs1 2349829811 PGYAMJDUSBAJAW-UHFFFAOYSA-N 515.052 5.512 50 10 KKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1I 2362427084 FPVPKFXYLDSYAU-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE Clc1cccc([C@@H](CBr)OCc2ccc(I)c(Br)c2)c1 2377611209 IHCRVXOFGDENMD-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1CN1CCCc2ccccc21 20615914 RJKAVAUWUAHGHS-AASYHSMQSA-N 512.437 5.872 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N1CCOCC1 35446085 MEVVMFOEJGWXOD-ULJHMMPZSA-N 508.553 5.023 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OCC 38683952 JRYQHHZUDAEEDD-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1Cl 38687909 CDQUIFUOLPCUSX-QFIPXVFZSA-N 511.759 5.548 50 10 KKGE O=C(NNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40648753 CQOIBYQPMJHCKC-UHFFFAOYSA-N 508.460 5.422 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914685 WQFFSRHQRQSAMA-MHZLTWQESA-N 501.067 5.283 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914985 OFFXTTVQAHIBKP-RUZDIDTESA-N 507.096 5.693 50 10 KKGE CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 97965890 KYGMMLKNKGDBOX-IXYNZTCPSA-N 541.504 5.892 50 10 KKGE N#C/C(=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12 98063408 HJRIBWISLOAVGE-JWGURIENSA-N 506.968 7.090 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1CSc1nc2ccccc2o1 100185124 DVNCLJZUBSNJCK-KYHGBAKBSA-N 595.637 6.362 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 100235450 VDIIJDVFSLQRFA-ABZYITTCSA-N 545.861 6.044 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 100238059 DJPYUJCAKDOWPS-XTYFKDDUSA-N 547.608 5.274 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(I)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 101034401 UNPIWQQMCQQXMO-DEDYPNTBSA-N 593.446 6.505 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@H](CC)C2 101193881 UCXXKJADKAKTAL-AATZCTEQSA-N 533.606 6.462 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 101376129 CYEJJHFCZPQDAS-HKBQPEDESA-N 540.660 7.118 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5[N+](=O)[O-])ccc43)c2)cc1 101381988 UISMBGKGBFEIKJ-HKBQPEDESA-N 563.566 5.685 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382697 UPJWGRHEWXBBHV-HKBQPEDESA-N 569.013 6.130 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384487 XYQFZPULALLHGD-NBLPZQPVSA-N 578.640 7.119 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCCC(C)C 101395812 JHWAEGIXQZLIIG-JGCGQSQUSA-N 580.681 7.619 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101398890 WCJXZVTXYQZQIQ-XZWHSSHBSA-N 601.442 6.536 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399910 RADBALKLGBJYPT-XIFFEERXSA-N 604.634 7.604 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl 101907102 XTRZSQSFPVNAOZ-ZDLGFXPLSA-N 533.647 7.517 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2OC)c1C 102547101 CILGQPWOQQFYJM-DTQAZKPQSA-N 550.687 6.656 50 10 KKGE COc1cccc(N/C(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)=C(\C#N)c2nc3ccccc3s2)c1 102929798 LNZWLDPUUIPRDR-GFMRDNFCSA-N 556.591 6.880 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(F)cc1 102934974 PPRWSXZCOSZQAT-ZDLGFXPLSA-N 563.345 7.130 50 10 KKGE C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Br)cc1Br 102937223 SEYFQUBGIYDYFI-MWLSYYOVSA-N 537.255 6.889 50 10 KKGE COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 103201044 BPDKIEKWCSVVBW-KOLIMAABSA-N 548.599 6.342 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 103749461 CQUNDYKRXMSWCL-BIZUNTBRSA-N 622.541 5.934 50 10 KKGE Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1[N+](=O)[O-] 103797116 ICQNNMMTLKZZPN-FMFFXOCNSA-N 531.616 6.841 50 10 KKGE O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 105456018 DTDTYHNBVZQTSI-BIZUNTBRSA-N 546.608 5.812 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCCC(C)C 150455563 HRXARMDYKHPNKA-HSZRJFAPSA-N 686.803 8.590 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 150461492 GLXSNSHBRJRMPR-WJOKGBTCSA-N 665.957 8.461 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2cc1Cl 150482547 QPPHRFWSDGPRIB-WJOKGBTCSA-N 645.926 9.026 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 150618601 WYGNENFMACDKIW-VNTWQREPSA-N 622.716 7.331 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1 164644819 PHNAALJQZHOOJH-KKMKTNMSSA-N 640.190 6.124 50 10 KKGE CCCCCCCCCCO[Si](CCCS)(OCCCCCCCCCC)OCCCCCCCCCC 195767622 HVRSHMWSWKQNCA-UHFFFAOYSA-N 575.073 11.717 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 206433915 YMNHFGFZXLQZKJ-VMKIQGLYSA-N 500.551 5.309 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 214374228 GMLATPVAQBDFEU-XHPQRKPJSA-N 560.691 6.287 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 233818605 HEPKWJADXSSPQL-GFCCVEGCSA-N 533.905 6.919 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)cc1Br 235821788 AFRLCYVAKYCMSS-CQSZACIVSA-N 623.746 7.371 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)cc1Br 235823542 KEBOSVRJFDZNFP-NSHDSACASA-N 538.324 7.435 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)cc(Br)c1O 252625844 QQEQHLPJAOXKCN-UHFFFAOYSA-N 555.226 5.905 50 10 KKGE CCN(CC)c1c(/C=N/NC(=O)CCCNc2ccc(Br)cc2)c(C)nn1-c1ccccc1 253573581 ROXUETWLOMNJEO-MTDXEUNCSA-N 511.468 5.132 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254771150 IREVAUBIHAYWNP-AUCVKQTLSA-N 649.704 5.980 50 10 KKGE CC1(C)[C@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256022786 AGSGUFCWCBDQMN-KOZVQCOQSA-N 540.178 6.003 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2Br)C1 382696492 SEHOHFWLFPYQAB-RHSMWYFYSA-N 579.070 5.999 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 575229510 PNTVVZJLRPNFKC-GAKXEBLLSA-N 550.853 6.810 50 10 KKGE CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)n(-c2ccccc2)c(=O)n14 575417489 VPDQSQAIKFCOHK-MDJQIZRSSA-N 672.043 9.180 50 10 KKGE in-vitro COc1ccc(CCc2cccc(P(c3ccccc3)c3cccc4c3Oc3c(P(c5ccccc5)c5cccc(CCc6ccc(OC)cc6)c5)cccc3C4(C)C)c2)cc1 642814190 PJPZKONRYABKPI-UHFFFAOYSA-N 846.988 11.222 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 675031211 NOWYOFIYNIVRBL-WHXCVRPHSA-N 572.064 5.361 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)cc1Br 705436635 BFVJXHLGBGBYSC-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 725402612 AZIUZEHFCHCZRS-UHFFFAOYSA-N 665.603 5.544 50 10 KKGE CCCCC[C@@H](/C=C\[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@@H]1CCCCO1 725428764 OABDXHJQCAVVLW-NJXYOCHESA-N 709.075 8.802 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 725436173 VQHDUBUKPIHYFU-XMMPIXPASA-N 555.027 5.409 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2)c2cc(Cl)cc(Cl)c2)cc1 1083997830 KBTAGPRLAOJMBK-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084042346 MGJWGHLGJWKZJM-CXUHLZMHSA-N 553.325 5.921 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1 1084063317 FGDYGKBCNJQDAA-UHFFFAOYSA-N 751.156 7.901 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1 1084234014 KNVSBKHWGQFNMR-UHFFFAOYSA-N 544.389 5.432 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1084335829 WVVAZFIRBCLNAX-XMMPIXPASA-N 514.981 5.429 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084359618 DZKZNUUWMGINMU-XDHOZWIPSA-N 511.361 6.215 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 1084547393 MJUARGNWERAKOG-UHFFFAOYSA-N 611.290 6.205 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742947 MDGHTAOWJJHQAL-PPBORXCNSA-N 565.617 6.408 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1OC 1772756487 AHKINZNGXOGCAG-UHFFFAOYSA-N 534.632 5.028 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865686848 CITXGEPLBNEIFC-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687896 CTHXKCAVZRVILN-JGCGQSQUSA-N 562.714 7.005 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865694429 YEEMEUJHSCKFSC-NDEPHWFRSA-N 520.633 6.394 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696763 KCPGUTPSCDNVHR-GDLZYMKVSA-N 520.633 5.732 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865697226 XVRSIXYYRTZWBD-HSZRJFAPSA-N 559.420 5.551 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700209 NEOOVKKTNQMHKO-MHZLTWQESA-N 501.590 5.923 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701571 YIHDBHSBSLQEPU-MHZLTWQESA-N 566.448 7.038 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705368 TZXIXGAOXKZOGP-PMERELPUSA-N 548.687 6.615 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1865705375 UGIVHHYJAQZHPR-VWLOTQADSA-N 547.398 5.934 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865707189 QEVLOSGYEBTVHK-QHCPKHFHSA-N 516.527 5.531 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccc(F)c(C)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866759360 ABQIYWXVMAZPAB-XRKRLSELSA-N 561.679 6.129 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867137827 GKXNYKAEXLTRMO-YTMVLYRLSA-N 570.114 6.810 50 10 KKGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867181935 CQDAQRSOOFZXQW-HSZRJFAPSA-N 522.696 5.766 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)nc(Cc3ccccc3)n2)cc1 1868208141 TVCJKEWHZCRUPD-MGBGTMOVSA-N 543.671 7.675 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H]1C 1868544466 GJPRAIYSFFCKIE-VXKWHMMOSA-N 530.742 6.303 50 10 KKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 1872746168 VOSWLBBLROUASI-VZCXRCSSSA-N 508.397 5.774 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 1872747670 OJMGMCNTVZOVAP-PNHLSOANSA-N 521.598 6.576 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872751284 ZUVOTDTYOXYKBO-LCUIJRPUSA-N 505.599 6.858 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 1872794469 CUAMIMUOCPNMED-LZYBPNLTSA-N 519.848 7.096 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(I)c(Br)c1 1923061705 MPDQHRJTLZIGRK-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE Cl[C@@H](c1cccc(I)c1)c1c(Br)sc(Br)c1Br 1924586452 YBDWFULIRJQDLO-VIFPVBQESA-N 571.297 6.968 50 10 KKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1951106201 VZXZRJYBWHSUTF-VQVTYTSYSA-N 511.899 6.287 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2051239753 NOQKEDSUQUOXSB-GFKUXRSRSA-N 529.864 6.763 50 10 KKGE O=S1(=O)CC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495960 UKNVKCFQKLBTRU-WKEGUHRASA-N 546.300 5.204 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141469692 BWCNDKOURBWFFX-LLVKDONJSA-N 597.164 7.874 50 10 KKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475199 KBCUPNKKJWXXNA-BIIVOSGPSA-N 584.766 6.988 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(Br)c2c(c1)CCO2 2146628893 PKZCNOFEBWGLGX-CQSZACIVSA-N 528.409 6.079 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@H]2CC[C@H](C1)C2 2206395941 RMTNKTJPSPMPDB-VJGMYXETSA-N 550.354 7.843 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccsc1Br 2213490685 VDYGBKYAVZBOSN-JTQLQIEISA-N 507.842 6.659 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)s1 2233009304 NMVUFFMDCQTGAA-ZDUSSCGKSA-N 503.481 6.900 50 10 KKGE CC1CC(CBr)(COc2c(I)cc(Cl)cc2I)C1 2254137319 GSUGETTWUVZHNB-UHFFFAOYSA-N 555.419 5.739 50 10 KKGE COc1c([C@@H](Br)c2c(Br)sc(Br)c2Br)csc1Cl 2256857318 AJCNPKPYCJHZQJ-RXMQYKEDSA-N 560.352 7.243 50 10 KKGE COc1ccc([C@@H](Br)c2nc(C)sc2Br)cc1I 2257368788 JPZVOZXRSPHJPN-SNVBAGLBSA-N 502.997 5.312 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293198199 HPOXYCAUIFFSFQ-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1sc(C)c(Br)c1C 2295371372 YJMJCEHVZDPJDL-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE Clc1cc(CBr)cc(Cl)c1OCc1c(Br)cccc1Br 2296311225 UMWVWTKLOLGBSP-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE N#CC1=C(N)OC2=C(CN(C(=O)OCc3ccccc3)CC2=Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 2297457114 GYSRQUVOKYQRFD-MHZLTWQESA-N 511.528 5.763 50 10 KKGE Cc1c(C=C(C#N)c2nc3ccccc3s2)c(C=C(C#N)c2nc3ccccc3s2)c(C)n1CC(C)C 2297612515 TXQLKPSKEWQSJE-UHFFFAOYSA-N 519.699 8.109 50 10 KKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Br 2299494321 ICPIKZZYCJGFHD-GOSISDBHSA-N 531.107 7.645 50 10 KKGE Fc1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(I)c1 2301087230 VZVMXSKRUZGKIK-SNVBAGLBSA-N 512.940 6.078 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 2313548821 GOWROEYUBMDUIR-UHFFFAOYSA-N 537.616 7.267 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C#N 2313570614 BDPLEDVLWVHYLE-UHFFFAOYSA-N 618.258 6.993 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(Cl)c1 2314433487 NUSMGBIFIJJBON-UHFFFAOYSA-N 500.942 5.469 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314480579 JRFQJUUTBMJUDI-UHFFFAOYSA-N 544.636 6.990 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592873 DAVYMFWIQOKMJM-HHHXNRCGSA-N 511.647 5.445 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314616427 AFOFCGSGTDZZIU-UHFFFAOYSA-N 507.550 5.372 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 2314618251 KEMHFPGXGUYIQP-UHFFFAOYSA-N 550.590 6.243 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 2314620543 QGILRLMPDCMVLP-UHFFFAOYSA-N 575.068 6.858 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646614 FVVFWHBITAMEQO-WJOKGBTCSA-N 660.796 6.415 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)c(OCC)c(OC)c2)c(OC)c1 2314785993 ZMTZXFJSSNSYNT-UHFFFAOYSA-N 557.441 5.307 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(I)c(Br)c2)C1 2325371453 NHPVQLARMUKWHB-GOSISDBHSA-N 636.106 5.775 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2)cc1OC 2331237854 LNJTXGGWBOXKDN-UHFFFAOYSA-N 516.622 8.014 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1 2331245482 QQQWIAHWAYHVNI-UHFFFAOYSA-N 515.638 7.832 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 2331323620 LQVOKKMIDSVAOE-SFHVURJKSA-N 503.580 5.150 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336051653 UGDGNXRXLXOJFV-HXUWFJFHSA-N 547.031 7.553 50 10 KKGE CCC1(CC)[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2341837499 LJKRLNCMTIGISL-ZIAGYGMSSA-N 502.028 5.913 50 10 KKGE Clc1cccc([C@H](Br)CCc2ccc(I)c(Br)c2)c1 2349834412 HAFXBKWJXRTUCK-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE Clc1ccc(I)cc1COc1ccc(CBr)c(Br)c1 2352247726 IQSUDTDTJRTHQN-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2362241680 ZBXFNMLJSLMKFW-JKUQZMGJSA-N 503.353 7.029 50 10 KKGE Clc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(I)c1 2365597191 DCPCMTAMZWWYLX-AWEZNQCLSA-N 542.461 7.406 50 10 KKGE C[C@@](CI)(OCc1cc(I)ccc1Br)c1ccccc1 2367600426 GWTWLGANQRRUSK-INIZCTEOSA-N 557.007 5.921 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCC2CCC(C(F)(F)F)CC2)C1 2381549759 DTPBEBFTMHSUHF-JMLCCBQJSA-N 505.359 5.576 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790728 XAVPTGIQKKLDFH-FNBPXTNNSA-N 538.854 6.167 50 10 KKGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 8427059 XHOYOVHHGMNVKK-HPNXWYHWSA-N 587.632 7.096 50 10 KKGE O=C(N/N=C\c1ccc([N+](=O)[O-])cc1O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1 8770030 DRKPAYPYZFBFDP-ULPWCQAASA-N 552.494 5.546 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1 20228683 AMDRFFKCPGVLRR-FDAWAROLSA-N 513.981 5.944 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 38608025 GRWYISOROZUOLA-YZSQISJMSA-N 506.606 5.781 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815452 IWXVSYLZAOWELR-JGRMKTMXSA-N 521.617 6.146 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 58887982 AVODFVBWMOBEJX-ZMIIAFDNSA-N 507.030 6.010 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 59336281 OVFUKETUXRNYDP-LDADJPATSA-N 501.797 7.170 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101307177 RGLATUZHMRDSIF-PMERELPUSA-N 540.616 5.760 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101333512 JTRFNORPXJDNQK-KOEQRZSOSA-N 522.605 5.483 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 101339269 KEHLEANVTZSGEB-TURZUDJPSA-N 574.637 5.400 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2=O)cc1 101339869 OFUCDKMAGSKUEB-ZCTHSVRISA-N 550.618 6.494 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101362114 QZLIOVYPGMUVPL-MHZLTWQESA-N 539.415 6.375 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc(OC)c1OC 101368708 OJCXAEUSPSYGOO-MUUNZHRXSA-N 530.577 5.038 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101375333 YEYOGRVTJMEKLO-DTDRWLINSA-N 573.089 7.535 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 101375545 IILHCOOPJMQSPW-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380545 BOKXSPGWVTYLQI-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383216 PWLWCWACNDYPNU-MUWYNRMLSA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383947 YXZULMLBDNFJOV-SSEXGKCCSA-N 540.978 6.424 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387346 ANAZNQPYUFBQIV-GMWXTNTRSA-N 608.666 7.128 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388478 BAAGZHZMLCWDKB-DOJVYNIVSA-N 613.497 7.808 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc(OC)c1OC 101393511 RRSPSPPWAIXNQW-MHZLTWQESA-N 540.572 5.821 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 101393645 YMWSNTWTOMCWHV-AREMUKBSSA-N 559.416 6.567 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101394810 JUBKZAGZZAOVBB-SSEXGKCCSA-N 625.549 8.187 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccccc12 101398898 UFSVQUSYZZPLLD-SSEXGKCCSA-N 597.454 8.064 50 10 KKGE CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 101751349 ZHEXQXKCFMJNDV-RCCKNPSSSA-N 537.410 5.592 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 101827762 SPZIPVTUHHLWIZ-XMHGGMMESA-N 539.451 6.607 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 102416128 PXKOGWZQBUWFER-HKWRFOASSA-N 546.048 7.005 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666438 LJUZAORXYDSSQS-SJUMRLIPSA-N 546.048 5.890 50 10 KKGE CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 103123414 ITVPYDDKDGMVHX-CVHFWEDTSA-N 534.410 5.537 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 103649483 GHZFRODLDNMYBB-ZDLGFXPLSA-N 550.002 7.139 50 10 KKGE Cc1ccccc1SCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103742134 RYTMWCXJIPWMKA-MZJWZYIUSA-N 541.414 5.293 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](O)(CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 204893813 ZAYSEZBMOHYFQA-VZANENCWSA-N 924.727 19.065 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205775560 XGAXAASEZKKGJE-INFHVPRLSA-N 630.726 5.329 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205776460 ALULGSLHDFFBOY-SSQLPREDSA-N 646.769 5.943 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214335468 KNYKIELQQHPQHV-LLLIGWKVSA-N 570.693 7.236 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214336401 BOCGTQOFEQIPGZ-BGQFGOBASA-N 540.623 6.458 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214339749 LKHKFTHOIMQONM-STJPNXPWSA-N 608.673 7.611 50 10 KKGE CCOc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 233796311 RQFYTZPUSHYHHF-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 235624469 JJKOBVDPQKXWGV-ZUZCIYMTSA-N 515.027 5.127 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(Br)ccc2O)cc1 252612081 IPSNXMDEOZCJNR-VEYAZYFZSA-N 569.887 5.576 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253571283 OTLSPFCDLYBCKQ-LEWAKTFVSA-N 709.662 5.796 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1C 254290105 IQMMJOMHRLQAQW-UHFFFAOYSA-N 512.056 6.088 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1 254382210 QYPKVWVGXVGBLZ-YAMCBKSQSA-N 559.673 5.450 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccc4ccccc4c3)c2-c2ccccc2)cc1 254821589 WUKNXCYMZMUVQN-UHFFFAOYSA-N 563.657 7.905 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)[C@H]2Br 256019142 NGDVYHZVEQRLBY-IGKWTDBASA-N 613.188 5.652 50 10 KKGE C[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@@H](Cl)CCCl 256078409 FHKUUILMHIOLID-FOZARLDVSA-N 579.779 11.131 50 10 KKGE CC[C@]1(C)[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 384968953 KOPAWWATVGIPCM-DMDPSCGWSA-N 555.419 5.880 50 10 KKGE C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 575232374 LGYWRDLXHKTNGB-IWMVNDNWSA-N 992.494 9.320 50 10 KKGE COc1cccc(C=NNC(=O)c2cccc(Br)c2)c1OCc1ccc(Cl)cc1Cl 725398780 SODICNDAENJZLA-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 725424613 RXZSBDYZLQQSDY-UHFFFAOYSA-N 518.480 6.913 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725432205 ZBWDYHKMZUFCFH-DTHISRBOSA-N 641.193 7.265 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083817645 WUUPISRMPWBNRI-CFAWEHKJSA-N 744.913 6.611 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 1083818461 VVTDWWSTBCENLT-VYVUHHQVSA-N 752.933 8.437 50 10 KKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccc(Cl)cc1 1083930939 XTKCDIZYVDQQOS-UHFFFAOYSA-N 532.778 5.671 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084042190 ABCQCMBDFYCVJD-CXUHLZMHSA-N 577.218 6.797 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2C)cc1 1084094686 QIEPNSSJUBKNOZ-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccc([N+](=O)[O-])cc1 1084257251 ZPRGLMALTKBSGJ-UHFFFAOYSA-N 528.657 6.325 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 1084393475 LGLQZHJXDHVTBQ-UHFFFAOYSA-N 599.496 5.375 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(I)c2)cc1 1084399075 MYPHXSFIZJWQGC-DEOSSOPVSA-N 558.416 5.233 50 10 KKGE C[C@@H](Oc1cccc2ccccc12)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084447735 RAXRMQHOVSHZPM-LJQANCHMSA-N 503.396 6.099 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084503282 NSNUPQNVAXEMOC-GIJQJNRQSA-N 593.248 7.040 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1 1084503971 OEBDNWUBNFMBDU-WGOQTCKBSA-N 554.488 6.812 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(F)c1 1084508852 BMFOAQSPJFFFAV-RQZCQDPDSA-N 611.238 7.260 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1)NN=Cc1cc(Br)c(O)c(Br)c1 1084583771 AHZYHWPQXUZTKN-UHFFFAOYSA-N 782.166 7.649 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1084641291 JGWSTBXNTVUWGQ-UHFFFAOYSA-N 564.324 6.793 50 10 KKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCc1cccc([N+](=O)[O-])c1)/N=C1/CCc2cc(Cl)ccc21 1615950645 XQGAMMIJFVTVHW-SXBRIOAWSA-N 532.906 6.574 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747136 LIZGQKKZWVHTJR-UHFFFAOYSA-N 536.429 5.440 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748858 FGCUYTYPDLGIPS-UHFFFAOYSA-N 520.800 6.036 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865689285 ONLVXAQRGQFSFC-QFIPXVFZSA-N 509.404 5.213 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693284 ISUPQSAMWTYWMR-XMMPIXPASA-N 533.415 6.472 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865693703 QEXQPVWGYSJUJX-XMMPIXPASA-N 563.441 6.480 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693907 RRSKUMXSDDECGF-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1OC(C)C 1865696783 KJGBDRIIEFQOND-SANMLTNESA-N 527.024 6.266 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865703410 VIVQRVGTLHQKBM-RUZDIDTESA-N 546.549 6.395 50 10 KKGE CC(C)[C@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865895403 XSWBXXKABVARDC-QGZVFWFLSA-N 883.025 5.937 50 10 KKGE CCCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866633314 CZZMLHYEDQZSRX-GGAORHGYSA-N 586.139 5.064 50 10 KKGE Cc1ccc([C@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955027 DXQANTQRJDFSEB-RRPNLBNLSA-N 517.720 6.365 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867214488 SWHMMINEPWGSDD-IFMALSPDSA-N 564.571 6.037 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456263 MKRYVEANQHAGLH-UHFFFAOYSA-N 532.044 7.301 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H](C)N1c1ccccc1 1868456532 QZVALWHZCGENLU-OYRHEFFESA-N 510.642 6.703 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 1872747900 YNOFBMLLFAWXMA-IHSREPSTSA-N 519.623 5.110 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924593267 DBIYCEFLVQGXMO-SECBINFHSA-N 582.775 7.591 50 10 KKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1Br 2061265330 ZJCBLUNJDUXSQY-LBPRGKRZSA-N 514.349 5.768 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2083335537 TVFUVGPLWMLYMW-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2097825327 VJFHDRRYVXWXEI-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE CO[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2133842186 FEGNQNAFPLGUQJ-BHNWBGBOSA-N 537.937 6.677 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206398625 XELXZIIFOKXBET-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401636 YKQYOTGEHOWDFD-TVQRCGJNSA-N 598.793 7.378 50 10 KKGE Clc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1I 2248212511 JBJXCQQEMUTKEY-JTQLQIEISA-N 526.846 6.859 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)cc2)cc1I 2257369747 OSSYXNNGLSHUBH-CQSZACIVSA-N 528.953 5.389 50 10 KKGE CCCCc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 2264368382 INSRHLAWXTUPNN-HNNXBMFYSA-N 514.064 6.942 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@H]1C[C@@H](Br)C1 2268362141 ZUIHTBAKASLGBU-CALCHBBNSA-N 552.421 6.307 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cscc2S(C)(=O)=O)c1Br 2288511944 FWRQTZNBCOWXGK-CYBMUJFWSA-N 503.075 5.469 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C[C@@H]1C[C@H]3O[Si](C)(C)C 2294818686 FUVKOFYYHKWFJK-MFQXHWFNSA-N 550.973 8.285 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2297458564 CPGVWGWJFXQODN-HSZRJFAPSA-N 536.426 5.331 50 10 KKGE Fc1cccc([C@@H](Cl)c2sc(Cl)cc2I)c1I 2300949699 PEVLCUATZFZQAR-SECBINFHSA-N 512.940 6.078 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2sc(Cl)cc2I)c1 2301084890 YSDXKULHUDZHJG-NSHDSACASA-N 506.428 6.561 50 10 KKGE Clc1cc(I)c([C@@H](Cl)Cc2ccccc2I)s1 2301089725 VLXXNHUPZBTFEE-QMMMGPOBSA-N 508.977 6.133 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)O 2313571395 VKGZKUAWRLHALZ-UHFFFAOYSA-N 561.159 5.006 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)cc2)cc1 2314415113 XXQPTYOHFQMJAV-SSEXGKCCSA-N 518.617 5.629 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592297 QFLZPVPKLHZANP-HHHXNRCGSA-N 511.647 6.021 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314610842 MXXXMUFSZFQPGK-UHFFFAOYSA-N 508.622 5.822 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 2314616589 FFBPSCJRJSYNNS-UHFFFAOYSA-N 554.650 6.513 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 2314617392 XKQNPZBHAVGZRH-UHFFFAOYSA-N 532.575 5.788 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314617586 HSMGQARDLWUIAY-UHFFFAOYSA-N 549.030 6.384 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 2314738863 WDZHPXPJUVQHFO-UHFFFAOYSA-N 500.938 5.395 50 10 KKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN(Cc1ccccc1)Cc1ccccc1 2325406368 YIDOVHTXTGPEDM-UHFFFAOYSA-N 507.375 5.648 50 10 KKGE COc1cc(CBr)cc(Br)c1OCc1sccc1I 2338753546 XRHORUALRJUWJZ-UHFFFAOYSA-N 518.008 5.598 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cscc2Br)c1Br 2339654120 POTOAAJOOLNAME-LLVKDONJSA-N 533.905 6.837 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2occc2Br)c1Br 2339654189 QBSOOYWHRGIFHP-LLVKDONJSA-N 517.837 6.368 50 10 KKGE COc1c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)csc1Cl 2362223110 HRQSHOQYDJCIMU-MRVPVSSYSA-N 527.862 7.212 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(C)c(Br)s2)c1Br 2365222385 CPUYDWBTHZXQBU-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE BrCc1c(OCc2cc(I)ccc2Br)nc2sccn12 2367518787 AEXFYRJAUCEXBS-UHFFFAOYSA-N 528.007 5.237 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1Cl 2244425 QFELVKJKWZCKDO-OCLLKXGGSA-N 524.045 6.867 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1OCc1ccc(Cl)cc1Cl 12555951 OHZLTYWAQWROSV-CXUHLZMHSA-N 514.321 5.740 50 10 KKGE CCCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14032692 VDUCYTXTGZBLGO-UHFFFAOYSA-N 515.654 6.270 50 10 KKGE Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)nc2c1 33400112 IBRILWSBZQOIII-MFOYZWKCSA-N 513.222 7.584 50 10 KKGE CCOC(=O)/C(C#N)=C/C=C(\Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 34690893 MMJSWHVYSWNVOO-YIJMMQJZSA-N 508.641 7.495 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38650604 OLEUNFYVOLWTKU-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651677 QGNLWWYTZRJZLI-RUZDIDTESA-N 519.395 6.065 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc(C)c1Cl 38653972 FGZRFHZXYYNCNO-XMMPIXPASA-N 505.914 5.068 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38656112 LJRGICBAMMEJDH-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660853 VNUWPLBDSOOLOR-PMERELPUSA-N 520.541 5.690 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 38700624 FFGUMNGHOYIBFO-AREMUKBSSA-N 518.953 5.359 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38700900 AFZUISABDAEAER-XMMPIXPASA-N 514.921 5.619 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812862 SKBJCPWIBMVQNE-TURZUDJPSA-N 514.807 6.035 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240861 OUXVIUVNUGKLTE-NNHPPCHPSA-N 536.484 6.298 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244292 HZLABPFQGLRZFV-ZFKOOEFLSA-N 560.517 6.370 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245111 FLIJXCCUVDGFRO-HEQFHQOESA-N 538.456 6.375 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Br 101340406 ZXGSWKAUGLPVSB-AFUMVMLFSA-N 597.444 6.242 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101369060 PXHRGVUAFIEJGX-SANMLTNESA-N 535.394 5.223 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 101371147 ZTSHCKCXEVONGN-LKYAVPRHSA-N 515.755 6.623 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101374874 NFKBAOAGRJJSBB-NDEPHWFRSA-N 577.475 6.710 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 101377152 MPERFORALUTEKG-HKBQPEDESA-N 540.660 6.756 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381625 OKMOSDFLGOYASO-SKCQDXKVSA-N 556.662 7.400 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386352 XCFHLSPUDLXECA-XIFFEERXSA-N 597.067 6.747 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101392763 ZDCIKXRHKRRMOL-AREMUKBSSA-N 575.415 6.348 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101393007 XCSRLUUZXYLYCM-VWLOTQADSA-N 595.504 7.833 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)C)c(OC)c1 101799327 DSHFDKFLGWOSEU-XDHOZWIPSA-N 529.431 5.389 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 103777447 DSQQVOIHRIWCFF-WJDWOHSUSA-N 555.414 7.843 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2ccccc2o1 103796029 XEFMVTBRMLJKAV-RPPGKUMJSA-N 540.313 5.109 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc2c(c1)OCO2 103879992 UGOKGVGPIFKRJH-IBBHUPRXSA-N 577.431 6.394 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 103887640 QFOBHZIXFLYNKL-ZDLGFXPLSA-N 563.222 7.031 50 10 KKGE O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105052319 PWZONGPANRUXID-KPGMTVGESA-N 553.829 7.209 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1nc2ccccc2s1 105415430 GVXYNIMTDXDVPP-HKOYGPOVSA-N 528.612 7.931 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccccc1 110556845 PEJKVAFSTGHGJK-VFCFBJKWSA-N 558.685 5.052 50 10 KKGE CC[C@@H](C(C)C)[C@@H](Br)[C@@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 140453825 WPYNWAGYMPPHHC-IDSCZSFZSA-N 614.547 9.342 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 150486220 KDPUFLWQJGWZFQ-HKBQPEDESA-N 639.576 8.577 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 164016296 DELRLNVBEMGXFV-HIWRWHBISA-N 648.509 7.227 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1 164624939 WPIZUDQPBCMWJL-LUOAPIJWSA-N 699.093 6.814 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cccs1 207997012 ONXJXGXHUDUMBF-DWACAAAGSA-N 598.165 6.630 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214378538 GHXANKGZYLFBQX-ZXSNDDASSA-N 590.683 7.219 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)CBr)CC[C@@]34C)[C@@H]12 254306164 AWEXTVRTNPEMJG-DTQVNJDESA-N 549.678 9.051 50 10 KKGE CCOC(=O)c1c(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(C)n(-c2ccccc2)c1C 254620791 XMQNMNNPUJTFIS-UHFFFAOYSA-N 588.686 5.234 50 10 KKGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)cc1 254762142 FFNLJINAEMNEGC-UHFFFAOYSA-N 521.598 6.093 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)c(Br)c2)[C@@H](CI)C1 394650046 XEQGOGOOFASEKV-NWDGAFQWSA-N 500.602 5.488 50 10 KKGE CC[Si](CC)(CC)O[C@H](C(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)C(=O)[C@@H](O)C(=C1C)C2(C)C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 504767956 SNFQGZFZXWNAEJ-QIGSUEIISA-N 922.154 6.289 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(F)c1Cl 689655122 WNXXDVLZGZFRBR-LLVKDONJSA-N 522.352 6.470 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 725397597 OJORGIUYCIEHRL-UHFFFAOYSA-N 589.161 6.654 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 725427479 OQLBFEOXVONACA-QFIPXVFZSA-N 501.808 5.645 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N 1083919396 LWGNAYQGLDJCRV-UHFFFAOYSA-N 550.662 7.396 50 10 KKGE O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1083923892 BYBIEHDEDXBZMO-UHFFFAOYSA-N 548.042 7.017 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084147736 IGVXKFBAUKBVKP-UHFFFAOYSA-N 606.966 5.873 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(OC(C)=O)cc3)cc2)c2ccc(C)cc2)cc1Br 1084331462 JRWDAWCANPCKKH-UHFFFAOYSA-N 650.551 5.851 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1 1084388603 ROJDMIWAWGAZCN-FOWTUZBSSA-N 529.232 6.173 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084484621 JIPOTSWDRLHZJU-UHFFFAOYSA-N 638.535 5.502 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1 1084569974 QLASUOIRWRMMDG-UHFFFAOYSA-N 581.163 6.123 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 1084632496 LMTPWJWTSTVENR-UHFFFAOYSA-N 672.985 6.044 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748482 YMBPDYAAWYCRRD-UHFFFAOYSA-N 598.251 5.746 50 10 KKGE CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755263 XYSYHJKAPMUHBT-UHFFFAOYSA-N 582.973 7.046 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683331 IXFZUUVBKJPWEB-SANMLTNESA-N 504.977 6.573 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865686959 GDMHIQJGAZYWTL-LJAQVGFWSA-N 506.606 5.662 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865694804 CAOUPTVUOGRUHQ-HKBQPEDESA-N 554.650 6.713 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OC 1865696187 KPZLJKUJKJJKIR-LJAQVGFWSA-N 568.649 6.542 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865696711 QLBLLFBBOSEYDU-PMERELPUSA-N 564.686 6.711 50 10 KKGE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866839763 FOZSOXRVHPVNHO-CLOONOSVSA-N 507.656 5.634 50 10 KKGE COc1ccccc1NCCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866893123 YXQZLUDUYOOVPM-XMMPIXPASA-N 520.680 5.127 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Br)cc3)nc(-c3ccccc3)n2)cc1 1868365694 TZUDQHHBRNDKFU-DEOSSOPVSA-N 542.506 7.434 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1C 1872756733 XTQMELHSMATKRI-QVTSOHHYSA-N 515.638 7.887 50 10 KKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311649 HBDKRWKYLJVWDI-GOSISDBHSA-N 505.172 6.284 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cnn(C)c2Br)c1Br 1922894120 JIDORTSTTRFDEN-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)cc1Cl 1924600285 PLXYZIOJHXZFPD-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE FC(F)(F)C([C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924601099 VEFBQASEDUEUPO-VKHMYHEASA-N 519.324 7.056 50 10 KKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1c(Br)sc(Br)c1Br 1924601731 NRYMZIBEZUVCIS-MRXNPFEDSA-N 551.525 7.943 50 10 KKGE Fc1ccc2cc([C@@H](Cl)c3c(Br)sc(Br)c3Br)sc2c1 1924602578 ZDOUHCXKMUGQNG-LLVKDONJSA-N 519.480 7.718 50 10 KKGE CC(C)([C@@H]1CCCO1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924616909 VBBWXNHGMRIVGV-IMTBSYHQSA-N 525.926 6.677 50 10 KKGE Cc1cc(C=C(C#N)c2nc3ccccc3s2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 2042446018 MTTXHSVBTAICSN-UHFFFAOYSA-N 573.744 5.389 50 10 KKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2100838614 MJWMFMUUVNWCRI-WCBMZHEXSA-N 537.981 8.078 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)cc(Br)c2)c1Br 2138851891 QQLLSZSLYJLFOS-CQSZACIVSA-N 576.746 7.529 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2141469178 SHQYFAOPZQJDCW-LIUHEQGWSA-N 582.750 6.740 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(CC2CC2)CC1 2141470438 HBHQYTJYCKCAPI-CYBMUJFWSA-N 536.327 7.597 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)s1 2141477106 LMUXUEUNBGNGKN-JTQLQIEISA-N 593.187 8.433 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1c(I)cc(Cl)cc1I 2173616868 XESKZUOLESOQNF-BTNBEGNRSA-N 581.457 6.270 50 10 KKGE CC1(C)CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CBr 2185808404 RKGOLPZHQBWSQX-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE O=C(c1ccc(Br)cc1I)N1CCC(CCCBr)CC1 2207272693 PJVGWNBDZUPXMK-UHFFFAOYSA-N 515.027 5.081 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 2234060083 VVTMKKVGYDOADE-CQSZACIVSA-N 513.705 6.728 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)cc1C 2236011714 ISUOJFINTDOSMI-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1C 2236841363 IRMUBEXOLLKFKC-ZDUSSCGKSA-N 566.378 8.052 50 10 KKGE CCN(C[C@](C)(CI)OCc1cccc(Br)c1C)C(=O)OC(C)(C)C 2256386494 BXXZFOACIDRKFE-IBGZPJMESA-N 526.253 5.725 50 10 KKGE COc1ccc([C@@H](Br)c2sc(C)cc2Br)cc1I 2257370397 RZHMSFRUSFZDPF-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Cc1csc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2263511331 RTJWZQFLERQUHL-NSHDSACASA-N 517.906 7.023 50 10 KKGE CS(=O)(=O)C1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2285272761 ZETYSTRVDZGFTO-WOKRAHDESA-N 574.354 5.840 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2C)cc1 2296070826 YBKAXPKZTCDZRV-HSZRJFAPSA-N 522.457 6.675 50 10 KKGE Cn1nc([C@@H](Br)c2sc(Cl)cc2I)c(Br)c1Cl 2300952947 CNLPGDCFUXYGMH-RXMQYKEDSA-N 530.838 5.640 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2300953202 GOWUCINIUSZREZ-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE Cc1cc(Br)ccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)c(C)c2C)o1 2313548816 GKLPSLSMRLZFBG-UHFFFAOYSA-N 514.217 6.943 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571567 ZGYLAWTZILVICO-UHFFFAOYSA-N 580.649 7.263 50 10 KKGE Clc1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314448081 DWEXDANLFVUZAF-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC1CCCCC1 2314478152 HERNKFOYJCNUDV-UHFFFAOYSA-N 520.608 6.613 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314618408 NAWDYTQUMCTDSA-UHFFFAOYSA-N 560.654 6.884 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634310 AMTATDRDYJKRFC-NDEPHWFRSA-N 516.981 5.974 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1cccc(OCc2ccccc2Cl)c1 2321697745 ZHAAJQDBSKRJDY-UHFFFAOYSA-N 520.029 5.511 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(Br)c1 2331238620 DWKVOXVCFNJLHL-UHFFFAOYSA-N 519.464 7.940 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1OC 2331319652 UMUTWKYZLCKCPX-FQEVSTJZSA-N 503.624 5.328 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1I 2338693418 MGDAGLRBHOQBKD-SECBINFHSA-N 564.841 5.043 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2363273920 WAWVNKMNGDPSFK-OAHLLOKOSA-N 501.509 7.672 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364064144 OSKXVQNPGCNXHO-VIFPVBQESA-N 535.831 5.340 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H](Br)C1CCCCC1 2377311342 UOUMFNYOYVRJRR-OAHLLOKOSA-N 515.071 5.829 50 10 KKGE COc1cccc([C@@H](Br)CCc2ccc(I)c(Br)c2)c1 2377340428 RQKJOIJXPNGWPX-AWEZNQCLSA-N 510.007 6.131 50 10 KKGE O=C(Nc1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 1955416 QNNZBOREDIGZJU-UHFFFAOYSA-N 527.624 6.277 50 10 KKGE COc1cc(C=NNC(=O)CSCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8427054 YSVAMRYFVCZCSB-UHFFFAOYSA-N 778.669 5.255 50 10 KKGE CCCOc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(C)cc2)N(c2ccc(C)c(C)c2)C1=O 35393653 UNEXMRLLOUIPOF-QMVRQVHRSA-N 525.674 6.466 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685514 QTNXZVALBHXNBK-DFXYEROKSA-N 526.633 6.409 50 10 KKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OCC 40870017 UCKXTNTWYMURSP-RDVKDWBRSA-N 526.589 5.335 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)cc1 40911778 SXJIULYRIXJICX-WKULSOCRSA-N 509.444 6.297 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1 58990551 KUUPDTLDUUFLLC-ZTKZIYFRSA-N 504.059 5.729 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 100233680 KHHJYJSLRLHZGS-APTYXWLQSA-N 589.914 6.443 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 100235373 HWXZSLZSDPVNKQ-ZZJXEYPFSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 100237052 ILUZAQMQEYYTNG-GISVKQOSSA-N 541.000 5.019 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 100984189 BDVSIJFPSQMKFW-NTEUORMPSA-N 512.772 7.458 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@@H](CC)C2 101193901 MKJQBRHKJBDCCP-UOBPLZBXSA-N 560.075 7.447 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240875 YZPUUPUYWDXCRP-VWOOYDPRSA-N 536.484 6.298 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101240946 RZJIVQDZKBIWNM-KXHAZENCSA-N 537.729 6.895 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245200 MDZIJPGHOKMKOV-RAMZYJDASA-N 518.038 6.112 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 101245865 WTDPHGMCOAXLNH-IEQIIXMPSA-N 546.490 6.439 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 101339948 DDANPOVSOVPUPG-RDRPBHBLSA-N 590.655 6.658 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCCC(C)C 101368361 YMZSUHLSHRIIRA-HKBQPEDESA-N 556.659 6.592 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385217 OAIXZQHGZDNYOG-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387762 ONDHWNSJUNMDQR-VQFOKPCISA-N 588.660 6.818 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388091 YBMBFASGDZQJSL-JGCGQSQUSA-N 617.485 7.174 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101397161 XWTGZLJSCAXNMK-MUUNZHRXSA-N 607.559 8.995 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2cc1Cl 101397806 OYZSPCNRZRYTRN-HKBQPEDESA-N 595.026 7.859 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NN(c5ccccc5)c5ccccc5)c(C)c43)coc2c1C 101619739 GXJOVIJFMIASDD-AWQADKOQSA-N 560.654 6.833 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 101761665 GABQHMSNHBNOEE-XDHOZWIPSA-N 563.876 5.924 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(=O)OC)c1C 102924500 PXXFEWKRVDHRIF-RVDMUPIBSA-N 513.597 5.137 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 103878193 MCQCACGIKNEQDB-FDALDRLYSA-N 598.530 8.501 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128260832 GIARYJGJXVIKLT-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462659 WYDKQLWBTAYECR-SSEXGKCCSA-N 627.093 8.027 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 164583738 LTNMDSKWCKOBHC-PGGKNCGUSA-N 623.548 6.901 50 10 KKGE COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 164601154 JVINTGVJTGAMBA-STKMKYKTSA-N 636.568 6.324 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 214249405 JSKPSSQKFXIIFL-IWIPYMOSSA-N 512.585 5.858 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214279940 DNACNBWIBOSBPE-RKCNGMFHSA-N 631.758 5.752 50 10 KKGE CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](Br)C(C)(C)[C@@H]6CC[C@@]54C)[C@@H]2[C@H]1OC3 252616956 KJMGDBGFBNCRQT-OYVHHIIRSA-N 521.624 7.611 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 252624569 PQWOITUVRYSKMY-SANMLTNESA-N 569.455 6.133 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1 252631130 VIMDWVPJNMJUTE-UHFFFAOYSA-N 558.635 5.122 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253576967 WMOUHSHBZRGFHW-VWLOTQADSA-N 552.748 6.295 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1 254294612 KLJJZMYZDYSQIV-UHFFFAOYSA-N 542.592 5.266 50 10 KKGE CCOC(=O)C1=c2sc(=Cc3ccccc3Oc3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1 254869097 JKKFLXFHNIPIJV-HKBQPEDESA-N 613.695 5.485 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cccc2ccccc12 254877375 JEJKJTQRXCTEEI-HXUWFJFHSA-N 541.080 6.317 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccccc3OC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256020047 UEFGGDVYWXYYRV-GHBVHVRQSA-N 624.366 5.815 50 10 KKGE CCCCC[C@H](/C=C/[C@H](O[Si](C)(C)C(C)C)[C@@H](C/C=C/CCCC(=O)OC)[C@H](CC(=O)NCCC)O[Si](C)(C)C(C)C)O[Si](C)(C)C(C)C 256881013 PNHUVPQEWLEWQB-BFWRXDPOSA-N 742.320 10.946 50 10 KKGE Clc1cc(I)c(Oc2cccc(Br)c2CBr)c(I)c1 394821166 XKXSVDNTYOMMKP-UHFFFAOYSA-N 628.267 6.999 50 10 KKGE COC(=O)NNC(=N)CN1CCO[C@H](O[C@@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 504044674 JMBSYJOVXPFTFD-JDORSLCVSA-N 566.474 5.178 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 504234543 SJOJREZYJCSYQM-SVFBPWRDSA-N 504.933 7.587 50 10 KKGE Cc1ccc(NC(=O)COc2ccccc2C=NNC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1C 1082990636 MUJWFTBDEDDLJO-UHFFFAOYSA-N 575.694 6.952 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1 1084024413 ATDFQAXRDDJPIM-UHFFFAOYSA-N 654.188 7.477 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 1084044934 DPMAIZMCIHWYPQ-UHFFFAOYSA-N 572.668 7.430 50 10 KKGE O=C(COc1cccc2cccnc12)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084141892 SDFRSQOWTINFSZ-UHFFFAOYSA-N 557.053 7.542 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1C 1084218710 WNSULZPUSDJUGN-CFRMEGHHSA-N 521.617 7.485 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084249504 ISZWWMNMNCWEMN-UHFFFAOYSA-N 751.156 7.901 50 10 KKGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 1084314775 MVDBEEPOAPOHBN-UHFFFAOYSA-N 563.235 6.088 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 1084405765 OYOKDWURFOOANG-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1 1084498045 DOGAFQVXRKXRDL-UHFFFAOYSA-N 606.726 8.159 50 10 KKGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)cc1 1088668602 XUMCJBHDHIMYLX-UHFFFAOYSA-N 512.802 5.559 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719979 AWQGLRCBFDBHAK-UHFFFAOYSA-N 623.456 5.385 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684620 UGNUSBHSEGGRNK-HSZRJFAPSA-N 531.385 5.727 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686693 ZNOSKMGSVRGSST-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865690949 FRDUHKMBFUWGOS-LJQANCHMSA-N 579.373 5.678 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865691177 LQROVJGUVAZGED-QFIPXVFZSA-N 531.495 6.050 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865692079 IUGSPMABRMQOGL-JOCHJYFZSA-N 537.458 6.128 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695205 MQALYWTXFXDFMM-MHZLTWQESA-N 545.470 6.988 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701981 JSYGBKVCTQQPOS-QHCPKHFHSA-N 531.385 5.976 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704382 UORVLVVOCXKUSR-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710661 DPINMKMMWOLWII-QFIPXVFZSA-N 522.914 6.438 50 10 KKGE CCCC[C@@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867212075 MSEVWAAPLGVUPO-XZOQPEGZSA-N 516.505 6.466 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 1868301338 OGNUEHYGCVRFEQ-RUZDIDTESA-N 514.054 7.000 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN([C@H](C)c4cccs4)CC3)n2)c1 1868506168 SERWLDBYAOSHRL-HXUWFJFHSA-N 528.707 6.414 50 10 KKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872754592 ZYASTZYVODNTPI-JZJYNLBNSA-N 505.423 6.958 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(Br)c1OC 1872818273 UYJVDTCBOQOROY-DTFOEHMXSA-N 505.340 6.374 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873793483 MPCARCYDMQREIF-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2sncc2Br)c1 1899885747 XWCYRIDYPDLCJY-INIZCTEOSA-N 518.068 6.731 50 10 KKGE Cl[C@H](Cc1cccc(Br)c1)c1c(Br)sc(Br)c1Br 1924595457 ZGRJWXMQWLIDRE-MRVPVSSYSA-N 538.324 7.321 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)c1csc2ccccc12 1924598995 AEJLEHYGONQSII-LLVKDONJSA-N 501.490 7.579 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)c1Br 1924611985 HYSMOVQVKPDIMJ-PUQNFTFYSA-N 523.910 6.431 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccccc1I 1925570476 GZFCYADOMWYKOH-QMMMGPOBSA-N 526.846 6.906 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(I)c1 1925588043 NBGMTBKODGWYCH-MRVPVSSYSA-N 500.385 6.936 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Cl)CC1 1995048647 SHOOYTFQRQAFTC-SECBINFHSA-N 516.680 6.788 50 10 KKGE CC[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780300 QMLOOILRNQDJTJ-YZGOCOMISA-N 510.289 7.063 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)s1 2026212377 SMWUSZRSANIZRY-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Clc1ccc(I)c(CC(CBr)(CBr)C2CCC2)c1 2029231070 QZYSGZMWFWGINC-UHFFFAOYSA-N 506.447 6.063 50 10 KKGE N#CC(=C1S[C@@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053610996 CUPJPFVLVXMXPO-LJAQVGFWSA-N 603.630 5.674 50 10 KKGE CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CBr 2065342648 ZLLNKUZNTSGCHV-FNORWQNLSA-N 592.881 6.188 50 10 KKGE CC1(C)C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468619 LTXXAKUJMPMEKE-QTTZVWFDSA-N 540.315 6.832 50 10 KKGE Cn1cc(Cl)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2141469713 WLPVARCGGDYFMU-SNVBAGLBSA-N 556.705 6.452 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141470456 HFIYRADGGMGWKQ-OLZOCXBDSA-N 540.315 6.833 50 10 KKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2179825970 NLWNLOFEGANLEX-UHFFFAOYSA-N 519.299 5.270 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(I)ccc2Br)c1Br 2201074596 AQCXILVVPUSQMN-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE CCCCCCCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396808 BEJXUEBIGOXFQT-SNVBAGLBSA-N 598.837 8.923 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2sccc2I)s1 2217983224 KMKSMVIVDDYYOR-SNVBAGLBSA-N 522.065 6.198 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)cc1Br 2219008035 WUAQPNUULFCIDH-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2I)c(C)c1Cl 2232527327 NRETXUSYGLRFQG-CQSZACIVSA-N 528.453 7.117 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(C)ccc1I 2240999960 DXGSIMJQPZIFHI-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272746982 DYCBQBTZFZXSDM-JTQLQIEISA-N 539.859 7.107 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2283202074 LCBNVCDUTWBFIX-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F 2294172042 WUDZHVPSKHDIPM-UHFFFAOYSA-N 564.238 7.418 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2296500325 HGFMXDIOWBNPTI-UHFFFAOYSA-N 547.976 6.959 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 2296719434 QODBWWQCFQRWRC-UHFFFAOYSA-N 501.340 5.103 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(I)ccc2Br)s1 2301083763 LUVUZPWCRUDUNA-SNVBAGLBSA-N 618.297 6.858 50 10 KKGE CCOC(O)=C(C#N)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501768 ZGOAHPRMVIRWKL-GOTSBHOMSA-O 527.826 5.683 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 2313567059 CCLGJRAHQPSWEA-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CCc1nc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2314444484 LMMNQOVUJMRTAR-KRWDZBQOSA-N 501.671 7.138 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314488242 MSFDVTJUFGTYGP-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@@H](CC)C2 2314571527 GQQHAGMSADBGGY-OAHLLOKOSA-N 543.472 7.552 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314611285 SFSAKVMOMFVWOB-UHFFFAOYSA-N 577.084 7.164 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314618826 UXZHVIUGYIAYDV-RUZDIDTESA-N 641.794 5.367 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634819 PXQGULNPZJSMPL-PMERELPUSA-N 510.590 6.101 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCCC(C)C 2314646962 WTAAFEFJBZOTLJ-WJOKGBTCSA-N 660.796 6.189 50 10 KKGE Fc1cc([C@@H](Cl)c2sc(Cl)cc2I)c(Cl)cc1Br 2316770875 ITUBAOCOMCKLHT-SNVBAGLBSA-N 500.385 6.889 50 10 KKGE C[C@H]1CC2CC([C@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319522439 ARFDNUYRIBPYSA-SXIVNMFKSA-N 523.910 6.429 50 10 KKGE CC[C@@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2324599259 DWSYXRBMTBKVEW-JGCGQSQUSA-N 518.705 5.947 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)OC2CCCCC2)c1C 2329663520 OEIOAGANDJSWFY-UHFFFAOYSA-N 545.455 6.031 50 10 KKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1Cl 2331051657 XYNYNXJVOUZSBU-UHFFFAOYSA-N 527.360 6.715 50 10 KKGE CC1(C)C[C@@H](CBr)CN(Cc2ccc(I)c(Br)c2)C1 2349862628 PLSNYWFEZPJUEO-LBPRGKRZSA-N 501.044 5.297 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361200000 FWSDLYKCRAKQLU-ICSRJNTNSA-N 500.221 7.680 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1Cl 38687622 CVGNZYFOMNRRBV-OAQYLSRUSA-N 501.753 6.093 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38700851 BZKGOOQSKRFDRG-JOCHJYFZSA-N 516.962 5.779 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)CC1 38701140 IMZXJQOQLVCIJX-XTTWBRMDSA-N 516.682 7.232 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)cc1 40813790 XMGJSFCLPTZHEB-WGPBWIAQSA-N 509.562 6.112 50 10 KKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 40926816 OKIMIMFGRAJEIG-NAAZAUSASA-N 517.965 6.016 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 58894092 DJDONYOAISPQMC-ZSYYNXLFSA-N 511.018 5.599 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 100235499 HXVUDAAZKUSKKT-PCYMAAINSA-N 563.851 6.183 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1 100325778 CNEUBAYJWXTAKZ-VMJBBSNPSA-N 574.497 6.416 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246785 WJUKRJYBPRMUBK-KVILUOORSA-N 578.488 5.921 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101338144 CLYLAPSBNHBYKG-PPFNPFNJSA-N 590.683 6.953 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc21 101368891 TWCBLIBFXIYEQS-IUUBXHLCSA-N 559.460 6.592 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 101376369 TXDBJEDTCULICN-LJAQVGFWSA-N 547.051 6.728 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379342 AQWHEYBMTNPTSW-GFJKYASSSA-N 581.068 7.072 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381270 CLDLSJZMXUBPGJ-JGCGQSQUSA-N 593.466 8.163 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382197 NVDOWSBVKIMKMR-UMSFTDKQSA-N 574.677 7.580 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388492 ZXPYNOOCOSFECN-BEGJLFDFSA-N 613.497 7.808 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2cc1Cl 101390951 WKLITGQVZBVZLX-HKBQPEDESA-N 577.036 7.719 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 101395373 UPCYKHNHMXVAGN-PMERELPUSA-N 552.627 7.065 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101397732 WUXRRVZHNOHSJY-HHHXNRCGSA-N 617.485 8.364 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2cc1Cl 101397802 OYZSPCNRZRYTRN-WJOKGBTCSA-N 595.026 7.859 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] 101479361 DJAPGUBFXYTCGY-UHFFFAOYSA-N 528.698 6.800 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603189 CDFXFJQUFNVAQC-IWBSIUBASA-N 548.426 7.410 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1 101907059 DATQUOYFUJICIJ-ZDLGFXPLSA-N 533.647 7.517 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 102419882 ZBZUWBZXDRJKPF-LGMDPLHJSA-N 510.833 7.978 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 102665763 KIOICZFXGIZPIR-IQQNDYETSA-N 538.854 6.167 50 10 KKGE N#C/C(=C1/N[C@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 102735383 ASDUWEGXRQTMRO-LHHSGULESA-N 536.398 6.143 50 10 KKGE O=C(N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102980305 QVKPRSJCSTVDLI-YQFLVVOTSA-N 566.466 6.452 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 103121060 ICMFAUOZDZCEPW-CKVBZJJFSA-N 556.844 6.307 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)[C@@H](F)Cl)c(Cl)c1Cl 103185431 FIKJMANZVNWJOD-ILHIWHGASA-N 509.667 5.468 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 105066134 RMCUXHXLBPJZQP-KJFHWCLQSA-N 607.681 10.013 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@@H]2Br 150401883 NVZRELAZJSDKMQ-CHVKPNOBSA-N 706.541 7.576 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430137 GIVRGELTSVMPGC-YTTGMZPUSA-N 661.936 7.283 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463872 SOLQCTCJWGAJKA-XKLDMDDMSA-N 662.768 5.643 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1OC 150497869 MWBSBNRMMLKDBT-PPOKSSTKSA-N 685.180 7.624 50 10 KKGE C[C@](CI)(OCc1ccc(Br)cc1)c1ccccc1Br 162530263 DZTXYWGEHSTIEO-MRXNPFEDSA-N 510.007 6.079 50 10 KKGE CC(=O)OCCCCCCC/C=C/C(=O)O[C@@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=O)=C1C 201289722 AUXPKBDZZOGTOQ-BQIBDQHOSA-N 510.715 7.699 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 213425949 HODUUTHQNQITGS-HMHCJDJISA-N 779.062 9.261 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 214324909 KOGPDVKUZCPBNJ-SYQPQHDQSA-N 554.622 5.629 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 214346576 BMLHXGPJNDPOOM-IMRQLAEWSA-N 546.602 5.912 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 214379475 HLIAZVHAVXNLLL-GTWSWNCMSA-N 619.747 5.671 50 10 KKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217183032 KXFQTXNBOQSUQE-IDJUBOEBSA-N 508.666 5.386 50 10 KKGE CCCCc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 233039505 ZEBLNDDWXLMQJA-QGZVFWFLSA-N 508.035 6.881 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1OC 235018520 HWRQVOIRRNGFDW-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=C(CCc1ccccc1)CCc1ccccc1 253565494 HUOYEOZLVNSCFD-UHFFFAOYSA-N 574.754 6.709 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)C12CC3CC(CC(C3)C1)C2 253570138 NFPAUEWBNMJHJB-QCFMCPCVSA-N 541.784 7.319 50 10 KKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254608071 ULZUESRHSLDAAX-OXXMCTFGSA-N 530.675 5.242 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 256019787 DPPBQRWZBNPFDR-CFKSZREYSA-N 762.561 6.714 50 10 KKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1I 382705970 SVGIUOXSQPODAO-ROUUACIJSA-N 514.201 5.347 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504472770 FRORSYDIKBYDEQ-XAXLCOJFSA-N 505.227 9.635 50 10 KKGE C[C@@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504665253 SUVWZBGOTVFJCI-QPQHGXMVSA-N 644.178 11.128 50 10 KKGE in-vitro CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=NC(=O)c3ccccc3)nc2O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 616588859 VEOSXPPWPQSXBU-SMQWNMKUSA-N 904.134 10.288 50 10 KKGE COc1ccc(-c2ccc(CCP(c3ccccc3)c3cccc4c3Oc3c(P(CCc5ccc(-c6ccc(OC)cc6)cc5)c5ccccc5)cccc3C4(C)C)cc2)cc1 642814698 VNHWAPDRSDKZHF-UHFFFAOYSA-N 846.988 12.820 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1 725402764 HMEFVMQMXSRMLM-UHFFFAOYSA-N 596.061 5.131 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)OCC 1083908962 SMWIZPPVXKIYMJ-UHFFFAOYSA-N 551.643 5.896 50 10 KKGE Cc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083940049 QNMPNBHPTKPGCO-UHFFFAOYSA-N 583.664 5.500 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083952806 CXECIXYMMAGGLB-UHFFFAOYSA-N 633.985 6.799 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1083960293 GUPARASDCSVRKD-GIDUJCDVSA-N 625.100 7.372 50 10 KKGE CSc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083973087 STSZUFOEPDSYKX-UHFFFAOYSA-N 508.452 5.061 50 10 KKGE C[C@@H](Oc1ccc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1)C(=O)O 1084141224 GGGZXGFSHUOQAN-HSZRJFAPSA-N 529.596 6.427 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1 1084158609 BLRPGCGWMQYIQM-UHFFFAOYSA-N 658.596 9.110 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)cc(I)c2O)cc1 1084244003 BRTAPUYJAQEGBF-UHFFFAOYSA-N 647.254 6.131 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1084294829 KYXGOQMHULWFRV-UHFFFAOYSA-N 551.622 5.587 50 10 KKGE COc1cccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1O 1084299007 KPDBIFXWYKRQBH-UHFFFAOYSA-N 564.063 5.522 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccccc3NC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 1084300378 ZKMCFBXOFWVJMV-UHFFFAOYSA-N 560.950 5.701 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccccc1 1084337235 JNGRGPORRYQGJL-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 1084539801 VXZKJXJPPYTQSO-UHFFFAOYSA-N 555.520 6.487 50 10 KKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C)c(C)c1 1084551661 AZLALGHGSKQEFZ-UHFFFAOYSA-N 588.368 6.295 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 1084648345 GXPMEGDCWQEBSK-LPYMAVHISA-N 505.412 6.589 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084657443 YIDRUQGSYBCDRH-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719781 VNNKZYZNLREAGW-UHFFFAOYSA-N 840.927 7.288 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746063 AVGZJGKAMDPREV-UHFFFAOYSA-N 583.504 6.420 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749020 PJJSMCFJFIZLSE-UHFFFAOYSA-N 513.544 6.107 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686028 QJMMTVPYYPPLBA-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686302 SZWDCVWILGPMOU-HSZRJFAPSA-N 513.395 5.837 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865690404 QMOKHPQPSWCHRA-NRFANRHFSA-N 534.941 6.530 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccc(Cl)cc3)cc2)cc1 1865692952 KECXYLGZLSXRKJ-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865693805 ZFVLAUIGVULSDJ-HSZRJFAPSA-N 571.903 6.646 50 10 KKGE CCCC[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867071153 NUNJCOVJUALXHW-QFIPXVFZSA-N 508.669 5.638 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867078612 SMFOQJSFFNIFEG-SANMLTNESA-N 577.682 5.287 50 10 KKGE COc1cccc([C@H](C)CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867113793 UGKRIGYXMLETBC-IBVKSMDESA-N 519.692 5.819 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)nc(Cc3ccccc3)n2)cc1 1868207856 QPHGRQUWHHTQQN-UHFFFAOYSA-N 535.633 5.558 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872752260 UFQKKFKXYVUJDU-HHUUSFLGSA-N 503.649 6.144 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1COc2ccccc2O1 1923071780 KUFDSZFXPVXWBK-PSASIEDQSA-N 503.437 6.203 50 10 KKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924571119 OUTLWHFPUULCRE-SECBINFHSA-N 525.926 6.678 50 10 KKGE C[C@@H]1[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025780020 NWBWSQCDHWYBEL-ZGVUKUBGSA-N 510.289 6.919 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012752 KCNRWKPWPLPNNJ-XNJFPNJESA-N 686.698 11.661 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2039360875 WRKQQMTZRDLEAE-WEDXCCLWSA-N 523.954 7.688 50 10 KKGE CCc1nc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)s1 2050331785 RFWBLDXEHQYPTL-RXMQYKEDSA-N 559.368 7.192 50 10 KKGE COC(=O)c1ccc([C@@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCN2C(=O)OCc2ccccc2)cc1 2069727196 WNAMOBFMCLSFSN-VBTAUBHQSA-N 607.823 6.892 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1Br 2135287518 WCHDRCUWGQABEQ-YWVKMMECSA-N 529.917 7.275 50 10 KKGE COc1sccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470917 MDXFWHSCEPUIQQ-LLVKDONJSA-N 554.323 7.135 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2141473042 KFOPZFFQRAUYCS-YGDJMMPJSA-N 582.750 6.455 50 10 KKGE COc1cc(C)c([C@H](Br)c2cccc(C)c2I)cc1Br 2198738225 YCIBZDJOGICOOX-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(Br)ccc1I 2199539939 ORDZNUWTQIKPEV-OAHLLOKOSA-N 515.027 5.079 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2207273299 SVEKJKWTTKETQB-CQSZACIVSA-N 534.388 6.292 50 10 KKGE Cc1cc(C)c([C@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2207273323 TXBCUBRELCUYDR-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE C[C@@H](Br)CN(C(=O)c1cc(I)ccc1Br)C(C)(C)C 2272453012 ONJVZSJXBSRNEL-SECBINFHSA-N 503.016 5.078 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288349363 OVGZJNHWQOZGSR-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2294193403 MIBCBESNHBRJSQ-UHFFFAOYSA-N 541.785 5.934 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2295267939 SEVQBXIWIRIKDE-CQSZACIVSA-N 590.773 7.724 50 10 KKGE COc1cccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)c1OCc1ccc(Cl)cc1Cl 2296739293 QFHPCQLGFSXUPR-UHFFFAOYSA-N 516.388 6.285 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296789955 DWTBDXWJTSUTLQ-UHFFFAOYSA-N 525.652 6.297 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571441 WKQSZOVTEVGOCO-UHFFFAOYSA-N 554.630 7.673 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NCc1ccco1 2314478813 WLUMHXDGPNJGBI-UHFFFAOYSA-N 535.003 6.588 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592223 OEFSZTNYVHIQAD-VWLOTQADSA-N 502.039 6.276 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592805 CASBJHYPOPXVHH-DEOSSOPVSA-N 522.457 6.621 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314609960 AUGFIZPMQSZPAX-OAQYLSRUSA-N 506.606 5.803 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Br 2314610230 FTQDADACKMUTRG-UHFFFAOYSA-N 531.410 5.311 50 10 KKGE CCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 2314617090 QMEQRXMERWAZHJ-UHFFFAOYSA-N 502.567 5.175 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314618192 IVOQVVGZPZPGNY-PJIIJEFISA-N 522.649 5.111 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314618751 SULPGSUZKWNTQK-SANMLTNESA-N 608.673 7.611 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 2314618760 TXPRPJOSBOENJH-UHFFFAOYSA-N 504.546 5.242 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 2314620619 SWHYQHOXZHSUNQ-UHFFFAOYSA-N 521.057 6.880 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 2314643333 RYJBHXIWVJJLKQ-UUWRZZSWSA-N 558.634 6.810 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)cc2I)c1Br 2317774639 RBONDISCTQEUOG-JTQLQIEISA-N 585.324 7.324 50 10 KKGE COc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(Cl)cc1Cl 2321672258 VMPNMBXGJDHKEK-UHFFFAOYSA-N 522.432 6.705 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331271 YXKUXHGIFHHMIJ-LBPRGKRZSA-N 519.804 6.257 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 2331410819 HUMGCQFYXISUOL-AWEZNQCLSA-N 509.971 5.104 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2nscc2Br)c1Br 2339655456 ZCLSUVCHYAJOCN-SECBINFHSA-N 534.893 6.232 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 38605592 MMNRERXLYMONKB-WPWMEQJKSA-N 508.622 5.966 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658864 SWBJIQRCVPXKEA-SANMLTNESA-N 500.551 5.320 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1Cl 38677351 IECSRXDXSXWLPP-DEOSSOPVSA-N 509.389 6.392 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1Cl 38687780 JFNGQLONFXJDPJ-NRFANRHFSA-N 501.753 6.093 50 10 KKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 40977737 XTMXOPGNOYBADM-LYBHJNIJSA-N 518.635 5.766 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 58892268 SEUGHXQPXWULAI-KAECXJSPSA-N 517.582 5.265 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 97968675 ULIDCJJXUGCFDY-ZUGOUDHMSA-N 562.400 7.727 50 10 KKGE O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 100098967 NUMDDCKDFVQYFD-DNJOOXRZSA-N 608.658 5.719 50 10 KKGE C[C@@H](Oc1ccccc1Cl)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100140743 XDBXWBUELKRNEK-GFCCVEGCSA-N 556.638 5.012 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235625 HQJQTIMRWJNMLJ-YFKXRKALSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 100236320 XCTKIHLOJZBBSO-POBUXNOSSA-N 559.432 5.538 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@H](CC)C2 101193846 GQQHAGMSADBGGY-DLEKYWELSA-N 543.472 7.552 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244413 OUYIZNSNPLIBPT-DXTZOESMSA-N 522.457 6.621 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245943 RWUQZPPROZJLOG-NNHPPCHPSA-N 536.484 6.929 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 101336641 NAWDYTQUMCTDSA-TWKHWXDSSA-N 560.654 6.884 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337011 VZQIFXTUKIZWIO-UPJRRAFRSA-N 564.686 6.270 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101339769 ATFQBWIGTJTZLW-VCHYOVAHSA-N 507.329 5.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(Cl)cc1 101363400 FAWPQSNHTBAMLX-KRWDZBQOSA-N 522.813 5.238 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 101365108 HMLNZIGPGBJFSI-OAQYLSRUSA-N 516.724 5.992 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 101373745 LNWNPFQLODDERE-WJOKGBTCSA-N 542.632 6.200 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101377197 GDIYGEUNBDGVSR-UVDDSOTQSA-N 540.660 6.970 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(C(C)C)cc5)ccc43)cc2)cc1 101378885 GOQGYBHJUPORGV-PBUKZNKTSA-N 574.677 7.289 50 10 KKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OC)c1 101680129 JOJQQSPLNJSQHY-BJMVGYQFSA-N 539.582 6.027 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccccc1C 101712827 WLUFWSZOOVXDAV-KCSSXMTESA-N 559.460 6.541 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c(C)c1Cl 101766062 LHGFXEPJODOAPG-KVSWJAHQSA-N 536.253 6.481 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 103742426 SCSASIUWLRRGOO-QPQMVVSWSA-N 552.881 5.845 50 10 KKGE C/C(NNC(=O)C(c1ccccc1)c1ccccc1)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 103920664 ATNZFUXYCFXACA-SZXQPVLSSA-N 504.565 5.304 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2C)cc1Br 128768197 CWPDLRVVGOQFMK-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 150430438 HWTZFXVSDIEULU-XSKYCKKESA-N 729.309 5.746 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485416 ICOUIYNCJGCXAX-DRKIFQHWSA-N 635.475 7.311 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 162431793 KTKXHPYMVWWYIV-HYRRXTCYSA-N 690.995 6.446 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 205662148 WZSUMDKFCFQFOD-XSHWQUNESA-N 570.689 7.709 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)cc1Br 235812964 APFNTSUOTNYUCT-ZDUSSCGKSA-N 515.840 6.906 50 10 KKGE C[C@H](CI)[C@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 253387362 LVIFSGTVHZZZPF-VSVVMCDWSA-N 618.738 7.868 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254703842 SDHFEMFBYRAJPQ-UHFFFAOYSA-N 515.654 6.074 50 10 KKGE Brc1csc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 705447738 LZBBCNDJKNYFCI-JTQLQIEISA-N 545.941 7.735 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(Br)c(Br)s3)c2O1 720123091 GAXSHPDETDWEJZ-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(F)c1I 721699421 WDXFYQOWIZEYMI-CQSZACIVSA-N 513.970 6.076 50 10 KKGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240343 ZUTUXWMYGVBMNN-VTFYZQLFSA-N 519.849 5.524 50 10 KKGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 725433386 KGELWCMTPRCYMV-UHFFFAOYSA-N 569.308 5.800 50 10 KKGE Cc1c(C)c2c(c(C)c1OC(=O)Oc1ccc([N+](=O)[O-])cc1)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 888087438 CLQIBMXXWRIYFN-UYVJAXBASA-N 595.821 10.621 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1083927150 UJHPSZXLVWQYKJ-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084227981 RIIIFZQRWQXCIO-UHFFFAOYSA-N 657.929 7.419 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084290515 FYAJQOMDRFWIIU-NRFANRHFSA-N 642.568 7.980 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084456682 WMOXBKMWVZHYGF-UHFFFAOYSA-N 694.229 6.022 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C/C=C/c1ccccc1 1084503296 STLLPUSWCFJEGM-JCIOGZRMSA-N 623.369 6.306 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084527203 DMWBYVUQSVIMQN-LFVJCYFKSA-N 637.474 5.223 50 10 KKGE O=C(NN=Cc1ccc(N2CCCC2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1084585253 JHOKVQFYMPHABZ-UHFFFAOYSA-N 500.602 6.768 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 1084624513 UEHUGODMAUMZKX-UHFFFAOYSA-N 690.379 8.163 50 10 KKGE CCCc1ccc(C(=O)N(C)[C@H]2Cc3cc(Cl)ccc3/C2=N/NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1614015100 BJQVXOQKZIKNQA-VIPOOOAHSA-N 558.988 6.414 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3cc4c(cc3nc12)OCO4 1772721781 YKRJLPNOURCUEJ-PUCSUZIGSA-N 554.485 5.808 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccc(Cl)cc1 1772755956 VVVMMWRXTKCEPG-UHFFFAOYSA-N 545.861 6.343 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@H](O)[C@@H]([C@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848432555 FZTPBALCQSLXDA-NVOIQHKESA-N 769.218 10.984 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690533 UCJYUVXPEMKDRT-SSEXGKCCSA-N 512.613 6.775 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865692515 GPXDFQNTPCEQIE-VWLOTQADSA-N 543.023 6.217 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865695428 CFGGROCQLDTISV-JOCHJYFZSA-N 546.977 6.730 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCCCc1ccccc1 1865696607 IMDQGLJYHLDJAJ-LJAQVGFWSA-N 524.596 5.617 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696857 RYFNKBIYCCIHTG-QFIPXVFZSA-N 549.812 5.888 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cc(Br)ccc1F 1865702187 OZEZXFOJGGMIPQ-VWLOTQADSA-N 537.392 6.812 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703127 NMLVARIALOQAKP-MHZLTWQESA-N 511.025 6.253 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865703983 KCNPGEWZPWPXLY-NDEPHWFRSA-N 561.469 6.661 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OC(=O)c1ccccc1 1865705084 LRQALYONXMQQLC-MUUNZHRXSA-N 540.579 5.985 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)C2 1868301534 RIHIHRIJVNPJIS-UHFFFAOYSA-N 537.689 7.084 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)CC2 1868433299 HJQGIYQURFKJCY-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868454406 IQNSFTIAJMPWBS-UHFFFAOYSA-N 539.640 5.884 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872782518 KAEATVIBINYTBK-SRZZPIQSSA-N 509.469 7.313 50 10 KKGE CN(C[C@H](Cl)COCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1916333632 WFAYIEQVMHVUAR-AWEZNQCLSA-N 501.657 5.201 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)oc1Br 1922934478 HBYNJRVQUDSFNB-MRVPVSSYSA-N 507.867 6.730 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(F)cc2I)c1Br 1922944909 AUOOIAKTPDBKHZ-JTQLQIEISA-N 524.418 6.653 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 1924570367 ITVSRNBMDHSEFS-MHYGZLNHSA-N 521.938 7.298 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)cc2I)cc1Br 2026222260 WKWIPBPTSGPTHY-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE CCOc1ccc(NC(=O)CSC(Nc2ccc(C)cc2)=C(C#N)c2nc3ccccc3s2)cc1 2053621452 INQALTOUKXRJKS-UHFFFAOYSA-N 500.649 6.680 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(Cl)cc(Cl)c2)C1 2077242671 LIXXYBQYUYTZEL-GOSISDBHSA-N 500.204 5.715 50 10 KKGE BrCc1cc(Br)ccc1OCc1cccc(Br)c1Br 2092331227 RPNNRKDMYVPAJU-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)ccc2Br)c1Br 2138852169 MNHASUFIJLXREI-CQSZACIVSA-N 532.295 7.420 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141470368 GOBRHZWDYMSJBX-OLZOCXBDSA-N 540.315 6.976 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1C 2157252285 QKDOPAMGSDMGSE-SECBINFHSA-N 513.036 7.455 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1C(F)(F)F 2206394112 DXCIDFQASNJJBS-DADVEIPYSA-N 608.710 7.761 50 10 KKGE CC(C)(C)C1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396844 BLFLYBSVKXVREK-RAPRUERJSA-N 552.370 8.089 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)OC2 2206396963 CMHFRZZQRYRLSP-OFBKNLNESA-N 552.326 6.976 50 10 KKGE Fc1cccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398553 WHKBSBURBVHUQI-SECBINFHSA-N 594.736 7.554 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399952 NKQMSMMXFSQWMV-CMDUOZMTSA-N 594.805 7.855 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1c(Br)c(Br)cc(Br)c1Br 2206407806 FKWZCPBUKCJYLY-ZDUSSCGKSA-N 723.060 8.432 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sccc2I)c(C)c1Cl 2217612927 JPAAWHULMNFMJR-NSHDSACASA-N 520.455 6.870 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2225635741 XCJXCFXRHFIJPW-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)cc1C 2227737887 JOQRDOSJYYALPM-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2232508338 DOSNCMOHHLYJDE-LLVKDONJSA-N 587.158 8.419 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1I 2269552930 BTAGDHZFSBMRCN-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198261 NXALHQQFISUCRH-DEOSSOPVSA-N 550.453 5.373 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C=C(C#N)c4nc5ccccc5s4)cc3)cc2)C1 2297476808 JZHXFMAWMIPFBY-OYRHEFFESA-N 557.697 6.246 50 10 KKGE C[C@H]1C[C@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2312064003 MZDJDHOBYQNASX-MPCSLWBPSA-N 566.751 7.219 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl 2313521388 KOYUQNZEUUCQFO-UHFFFAOYSA-N 536.196 7.250 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C1 2314476071 ICHWGOBIVMRYHR-PSWAGMNNSA-N 576.726 6.157 50 10 KKGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314490323 ZSMBYQVJKCETAO-UHFFFAOYSA-N 500.923 6.333 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314502294 HKMPCXQXNOMAJK-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593852 UUTWDSFQGLQZRW-XMMPIXPASA-N 506.027 5.799 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314610188 DQCWNHYJHDYTCD-UHFFFAOYSA-N 557.094 7.154 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618882 VZQIFXTUKIZWIO-LJAQVGFWSA-N 564.686 6.270 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)OCCOc2ccccc2)c1C 2331123771 UIKAHMCQGOZRKK-UHFFFAOYSA-N 578.643 5.040 50 10 KKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccccc2Cl)cs1 2331271477 PFOHJSMQOYXCQU-UHFFFAOYSA-N 520.463 6.241 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 2331375992 DECPZGUPWXZTEW-UHFFFAOYSA-N 517.607 5.809 50 10 KKGE Cc1scc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2343567299 WQZQPFMKXFOWGM-SNVBAGLBSA-N 661.671 8.353 50 10 KKGE CS(=O)(=O)C1CC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362232983 UOVXKWOZBWRKCU-JCSINIIFSA-N 513.448 5.263 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(Cl)c(I)c1 2362427593 LKJGPZQUKFFEJB-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE Cc1ccccc1NC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2794012 KDSCHMVKCNNMJP-TZIWHRDSSA-N 516.593 5.607 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1OC 6167547 GVRXXOPMRMYZFT-PPIGDQRPSA-N 635.783 6.407 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14028422 PVBWTXFBSHLLHY-UHFFFAOYSA-N 515.654 6.270 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N1CCOCC1 35446083 MEVVMFOEJGWXOD-JJIBRWJFSA-N 508.553 5.023 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c1 35446802 QQOSADAKANRMGS-CLCOLTQESA-N 506.606 6.663 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38650812 OBWGBLJUNYAWLY-MHZLTWQESA-N 504.970 5.721 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 38686539 OTFIFTUDPXCONV-HKBQPEDESA-N 518.569 5.777 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 40935076 QDWWRFHWUKZIFY-PTGBLXJZSA-N 530.621 5.964 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 58890005 POBQAXRKDPCLHV-WHXCVRPHSA-N 515.379 5.140 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 58895267 WCTILKSSOMUARC-QGFINPQDSA-N 520.601 5.504 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1 97984189 YOZBKOHEDWOGML-COFYRSGKSA-N 537.383 8.321 50 10 KKGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100150584 HJBQXDFRVINWJJ-UHFFFAOYSA-N 560.720 5.755 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 100236129 XDTOIMBJWVVYCQ-ZZJXEYPFSA-N 589.870 5.742 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101286678 VZUVYFSTAKLCHY-ZCTHSVRISA-N 570.649 6.214 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 101363781 AXBSNNZVPZZJMA-ODVZWJMOSA-N 529.434 6.584 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1 101378647 GWVFMMUUEOIQQT-WJOKGBTCSA-N 563.566 5.685 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc(OC)c1OC 101382124 FIDXWKOSMBPFDA-HKBQPEDESA-N 578.621 6.037 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101386999 AUSCBQSNEJMQKA-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101387626 BYGWIDOOYFGKNJ-YTTGMZPUSA-N 546.623 6.719 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388449 JHBZSKFEALKHCW-YTTGMZPUSA-N 583.040 6.520 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101388864 HDODEQBJMVNPGU-YTTGMZPUSA-N 611.582 5.914 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101393177 NUHRRVJULFKQEM-WDYNHAJCSA-N 542.588 5.228 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397646 XSMGXZHYLVMLJS-IHLOFXLRSA-N 566.997 5.883 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1F 101399883 AWZDSDNNCSQNRK-UMSFTDKQSA-N 618.661 7.912 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 101680549 RELRIFHSCGUXID-PVLFOAEGSA-N 535.600 5.610 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(I)c1 103880330 ZEOSONDMTKUBPG-BRJLIKDPSA-N 562.205 5.971 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1 163914210 GWOXLJJNUIKDDW-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2sccc2Br)c1 232482869 BPORXXDSISWVES-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE CCOc1ccc([C@@H](Br)c2cccc(C)c2I)cc1Br 233820115 VSOJAVRXJXLPFN-OAHLLOKOSA-N 510.007 6.245 50 10 KKGE Fc1ccc(Br)cc1COc1c(Br)cc(CBr)cc1Br 236139432 KOBPOHAOODBNRK-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc(Br)c1 252591356 BAJWPIHRCIOIFO-UHFFFAOYSA-N 502.162 5.195 50 10 KKGE COc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 252613236 IZQZPZBQYUJGFL-UHFFFAOYSA-N 603.425 5.425 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253537505 IDKDEJKAOLGAAX-SPIQSQDFSA-N 604.619 6.173 50 10 KKGE COc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)ccc1OCc1ccccc1 254292552 RPVFZGAEWQGESU-JGCGQSQUSA-N 551.668 5.812 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cccc(OCc2ccccc2)c1 254302788 DRTSMDHCCQOXNO-UHFFFAOYSA-N 519.630 5.756 50 10 KKGE CC(=NNC(=O)c1ccccc1S(N)(=O)=O)[C@H](CN(CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254483075 PRVZTMJNLGTEIR-IZEXYCQBSA-N 646.810 5.314 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 254488301 DVSULVNTCNMPOQ-UHFFFAOYSA-N 579.629 5.079 50 10 KKGE COc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N 254704453 LKHYNSGUOXSUND-UHFFFAOYSA-N 666.147 5.786 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)cc1Cl 395575090 PLTXBOGJQIMXEU-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CC[Si](CC)(CC)O[C@H](C(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 504767954 SNFQGZFZXWNAEJ-IBOMHQHBSA-N 922.154 6.289 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616588797 UZVSHRLVIXPYEZ-UNTKAMPNSA-N 861.062 8.924 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591403 YXADDVIQROVGOJ-KCSJKLDESA-N 630.892 6.196 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2CC[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616595068 UXIVIOSFNXKUPD-NDEPHWFRSA-N 511.899 8.724 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)c1 616678277 FPQQHJGBQGEJBS-LJAQVGFWSA-N 525.926 8.220 50 10 KKGE Clc1cc(Br)c(OCc2ccc(I)cc2)c(CBr)c1 708088728 IKYBZEKAHFFWGF-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2ccccc2o1 1083900019 XEFMVTBRMLJKAV-UHFFFAOYSA-N 540.313 5.109 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(c1ccccc1)c1cccs1 1083988315 FQOLSQQFHQMRET-UHFFFAOYSA-N 538.702 5.952 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084100272 WERPMAISUTYKDY-FRKPEAEDSA-N 566.666 7.543 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3F)cc2Br)cc1 1084224144 NBWOSWTULQWGID-XMMPIXPASA-N 559.432 5.538 50 10 KKGE CC(C)(C)OC(=O)[C@@H](CSSC[C@@H](NC(=O)OC[C@@H]1c2ccccc2[C@@H]2CCC[C@H]12)C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1084268872 QGWOYZLGEIXRTK-JEBFZXHSSA-N 789.029 8.734 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1084271534 GMNIVOQOCZIWMM-UHFFFAOYSA-N 556.732 5.403 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1 1084355473 AAJATFYUYDHASU-UHFFFAOYSA-N 611.167 7.215 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084630205 GOSPDQQIKZLCBE-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653316 ZPFOOOYYNLDQPT-CDAOMREXSA-N 525.674 5.951 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2[N+](=O)[O-])[C@@H](CI)C1 1614693550 NCVJYQCIKISLRL-YOEHRIQHSA-N 545.171 5.145 50 10 KKGE CO[C@]1(C)O[C@@H]2O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1 1615855649 KJOXQJMJZSWNTR-SXYYIGQPSA-N 572.815 6.810 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc(C)c1Cl 1772748394 WUJUWORWVGZNCC-UHFFFAOYSA-N 530.806 5.705 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748567 ZFQZGKPQCBHZQE-UHFFFAOYSA-N 543.823 5.492 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750224 XVQOSQKYQXTNPA-UHFFFAOYSA-N 530.408 5.781 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Cl 1865685606 KRMJFBRKBIGVRF-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685786 NGXMUQXZKACNJK-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687088 JFHURCOFVMOYJP-HHHXNRCGSA-N 527.024 5.953 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865687429 RADBVHMYYYBZNH-XMMPIXPASA-N 537.458 5.993 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865688164 LRVUUPPAYJKAHE-FQEVSTJZSA-N 541.327 6.034 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865688579 VOHPHKJJQJJVFZ-WJOKGBTCSA-N 548.687 6.615 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865689829 XJQQKLGCPFWLMM-SFHVURJKSA-N 525.314 5.551 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690059 HTVNOMVIASFUCU-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690432 RAAYMLFIFSNHHB-GDLZYMKVSA-N 504.634 6.298 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865690762 AKVLWUOHEQNWDA-GOSISDBHSA-N 557.411 6.260 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697889 DXMHZNBKPDNTIN-VWLOTQADSA-N 544.970 5.389 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702801 FMGHNBPZIPVMNO-SSEXGKCCSA-N 552.650 6.527 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703785 FSUPEHOSEVZHPE-MHZLTWQESA-N 570.546 7.040 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705211 OSULEDVMNMHANU-XMMPIXPASA-N 531.399 6.179 50 10 KKGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866839767 FOZSOXRVHPVNHO-UQBPGWFLSA-N 507.656 5.634 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866956695 XMUSGFBHQFFNJZ-VSGBNLITSA-N 529.662 5.599 50 10 KKGE Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867167947 OFHSBZMDQIREFX-QHCPKHFHSA-N 517.561 5.012 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(Cl)c4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433508 MSAUDXUNYLYAOK-UHFFFAOYSA-N 575.569 7.522 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H]1c1ccc(F)cc1 1868544683 IZJFEEQHMCVHPQ-NDEPHWFRSA-N 552.723 7.390 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5c(C)cc(C)cc5C)cs4)cc3C2=O)c(C)c1 1872756943 IYLHJBNBVQVBQI-COOPMVRXSA-N 519.626 7.103 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1sccc1I 1923050510 WFLDBRSCLDKLAA-RXMQYKEDSA-N 532.875 6.921 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCO1 2021893198 JJFMJBLCIKZBFC-LDYMZIIASA-N 511.899 6.431 50 10 KKGE Brc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)sc1Br 2033644211 YQPNPMGVEJOJDF-SNVBAGLBSA-N 535.946 7.459 50 10 KKGE CCc1nc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)s1 2050331008 JQNSCEUZMNOWJA-RXMQYKEDSA-N 514.917 7.036 50 10 KKGE COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1cccc(C=C(C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 2053614979 RVXPKNGLINQUNL-UHFFFAOYSA-N 575.452 6.719 50 10 KKGE Cl[C@H](c1cc(I)sn1)c1c(Br)c(Br)cc(Br)c1Br 2085493503 CJUGDPHQTNYLFY-SNVBAGLBSA-N 651.181 7.126 50 10 KKGE C[C@@H]1C[C@H]1CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497018 DGPNOYGPYMVKNS-BWZBUEFSSA-N 568.767 7.609 50 10 KKGE Cc1cc([C@@H](Cl)c2sc(Br)c(C)c2Br)ccc1I 2086018795 FJRXNQLNAOKADG-LLVKDONJSA-N 520.455 6.823 50 10 KKGE Clc1sc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)c1Cl 2086139738 SLMXIVBRWBJKHA-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCCC23CCC3)c1Br 2117007041 IZPWLWMKTGZNLD-WPRPVWTQSA-N 535.965 7.832 50 10 KKGE C[C@H](Br)CCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2132755978 JYLRTJRVNAOLHD-ZETCQYMHSA-N 516.857 5.271 50 10 KKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471460 RSYPYADODATWFI-RDSNPXOSSA-N 546.269 7.308 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2198738763 DUFPEOSGLNGCTR-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1Br 2218964046 FBAFFYKKEMUXOC-ZETCQYMHSA-N 602.831 7.961 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1C 2221839181 VPLSTYKNSNSNHQ-SSDOTTSWSA-N 602.831 7.961 50 10 KKGE Cc1nc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224304998 OYUWYWMLOMAZDK-SSDOTTSWSA-N 529.306 7.421 50 10 KKGE Cc1sc([C@H](Br)c2csc(Br)c2Br)c(Br)c1C 2246413013 DQPGHOMZWLTMTJ-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2I)c(C)c1F 2279140540 YSTDJTUXIOKKFI-ZDUSSCGKSA-N 511.998 6.488 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c1 2294193331 FVQXGFIJCSJCIE-UHFFFAOYSA-N 511.405 6.915 50 10 KKGE CCCOc1c(I)cc(I)cc1C=C(C#N)c1nn(-c2ccccc2)c(N)c1C#N 2294956825 JQPSZIGMYLCZPV-UHFFFAOYSA-N 621.220 5.388 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2296854735 CFDDSKDTLOUYFC-GOSISDBHSA-N 553.423 5.170 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 2297497875 ZMBQOGNSOSHSDM-HHHXNRCGSA-N 591.737 6.243 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 2297624383 RYCIITYHYVPDFM-UHFFFAOYSA-N 585.060 6.066 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2sc(Cl)cc2I)c1 2300953965 QOQLOUAZQJTSJK-JTQLQIEISA-N 526.846 6.906 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Cl)c2sc(Cl)cc2I)c1 2363883532 HSVOYJKJDJTQRK-JTQLQIEISA-N 515.947 7.116 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(I)c(Br)c2)c1 2366887281 LOGACCFEMTYJQT-CYBMUJFWSA-N 548.871 7.429 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1ccccc1I)CCCO2 2369641353 YLJGJMKHJBLYFS-MRXNPFEDSA-N 507.991 5.863 50 10 KKGE Brc1cc(CN2CC[C@@H]3CC[C@@H](Br)C[C@H]3C2)ccc1I 2377314689 HCFCWPXSKATWDQ-MELADBBJSA-N 513.055 5.439 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 33888036 UDDHMWCONQOTFZ-BSSRNLCFSA-N 515.566 5.067 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)n1CCC(C)C 34840534 TYTKDOKAAMAICZ-HAHDFKILSA-N 520.029 6.686 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 35519590 SXYAECCRDGEPJG-LZYBPNLTSA-N 511.321 5.465 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38659650 OGUMMPQAESGHIJ-XDBZFTIUSA-N 514.578 5.247 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 40530227 YPBPBSIQUHQRDE-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1cccc(Cl)c1 40840306 BNQJPMWRWYRSKQ-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 58889921 BFXFMVJDWFIGSR-KJTWNORHSA-N 502.998 6.045 50 10 KKGE COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 59266330 XZKIUOJAISFBDP-FYJGNVAPSA-N 507.384 5.269 50 10 KKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100156700 CLGKRDFQTYGOOV-QGZVFWFLSA-N 598.291 6.026 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(OCCOc4ccccc4)c3)cc2)cc1 100162186 FXRWZQWZJSGRNH-UHFFFAOYSA-N 551.643 5.769 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337759 INIKGWUVEYZXJA-JEZFPDEOSA-N 619.747 5.923 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc2ccccc12 101366206 TTXFCXFAWXSTPW-OAQYLSRUSA-N 538.428 5.738 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101374980 UFNXRWDXVKICCV-MUUNZHRXSA-N 567.469 7.254 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389724 LSSGNYJNACDSRV-YTTGMZPUSA-N 550.586 6.170 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101394626 NWISQQCDODPICL-RUZDIDTESA-N 531.033 7.089 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 101396530 MHWMVMDESRJKKZ-PMERELPUSA-N 536.628 7.364 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101399632 OTNDFZZDZVDMRG-SAIUNTKASA-N 590.632 5.936 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCC(=O)NCCc1ccccc1 101619885 LKOOYWKDPJLBAR-HZHRSRAPSA-N 562.464 5.440 50 10 KKGE CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 101647230 MDRHOJGLCGPMSS-JVCXMKTPSA-N 540.845 5.672 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Cl)c1OCc1cccc2ccccc12 102933125 JBHFCKUKDBQLCB-MTJSOVHGSA-N 606.860 7.687 50 10 KKGE O=C(/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 102994243 AWOKARDRFBZWAD-NVMNQCDNSA-N 596.492 5.848 50 10 KKGE COc1ccc(C(=O)N(Cc2cccc(C)c2)[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)CCl)cc1 103151564 JJDDKGIRSOOCDC-FCEKVYKBSA-N 568.158 5.329 50 10 KKGE Cc1cccc(C(=O)[C@H](Br)[C@@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)c1 105419009 QEXUXKWTVFNMTJ-NHCUHLMSSA-N 526.224 5.938 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 150418949 CSLPVJKTEAKPDU-UHFFFAOYSA-N 700.247 5.619 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 150438574 NWGXJDUKZQMWJK-OVVQPSECSA-N 633.661 5.698 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 150441678 XEYAPNLNQIAYGL-JEHQLEFQSA-N 639.148 8.032 50 10 KKGE CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)n1 199990491 JMBDSIQONGMOAX-UHFFFAOYSA-N 500.115 7.818 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 205641204 XCAUIAKKBMNSAA-YGBGEKHWSA-N 506.646 7.119 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205777004 SWDNNKGABUHBPX-HIQWWTPOSA-N 648.810 6.348 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 206186868 YCCFGOJZIPVYHC-XJSUGRSLSA-N 530.580 5.871 50 10 KKGE O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1 218015629 LDXQDYVZZSCNHP-UWXQCODUSA-N 810.901 6.840 50 10 KKGE biogenic Clc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1Cl 236047300 JWDAJUZBWACCEF-LBPRGKRZSA-N 534.844 7.039 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)ccc1OCc1ccccc1 254398879 NCSZZOGVXOWLIM-UHFFFAOYSA-N 610.761 6.156 50 10 KKGE CC(=NNC(=O)c1ccccc1S(N)(=O)=O)[C@@H](CN(CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254483076 PRVZTMJNLGTEIR-MVSFAKPFSA-N 646.810 5.314 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 254875795 KDFOFMBIZQDCBA-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2cc(I)ccc2Br)C1 395355429 UUPFGASVNACKDS-JTQLQIEISA-N 515.027 5.079 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1 725405208 SVJACNITWHQCIF-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 1083910302 UWHCGYMGEFRVBR-XMMPIXPASA-N 684.312 5.837 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084018954 FWOJYVXEQBGHID-VWLOTQADSA-N 541.873 6.374 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 1084046530 JNAKCPBXSNZVRP-INIZCTEOSA-N 533.875 6.321 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(C(C)C)cc3)cc2)c2ccc(C)cc2)cc1Br 1084100419 XPYIHEBKSXIIKS-UHFFFAOYSA-N 634.596 7.049 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1Br 1084101070 ZQOOXWCFTLPXBO-UHFFFAOYSA-N 567.075 6.317 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1 1084193998 IBGRCOUHQJCEJV-UHFFFAOYSA-N 589.743 7.727 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1 1084418369 KUYAPRSQDQHCOF-XKZIYDEJSA-N 538.385 5.492 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1 1084463674 WZZJTWFUGVCMPU-UHFFFAOYSA-N 518.480 6.913 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1 1084521319 NGUTUYOOLJAEIE-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614615090 LKRMBVJDPZCMCF-FZMZJTMJSA-N 523.255 6.110 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772750066 WJWASMSSRLZCOR-UHFFFAOYSA-N 551.415 5.007 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1 1865683403 COLNPHMUHQPSCP-XMMPIXPASA-N 511.423 6.196 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1Cl 1865686049 QAYVTCIRNIPZAX-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686870 DDFYSFGNGKKQRN-HHHXNRCGSA-N 508.578 5.249 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865687323 OMTCPPDTFWGZAT-NDEPHWFRSA-N 536.632 6.344 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Br)c1O 1865688016 GPPKFTZOBJXMNY-JOCHJYFZSA-N 529.394 5.624 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865688533 UNABTMVGNZIIJZ-MHZLTWQESA-N 512.997 5.682 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690105 IUPOPJNKKOXHHF-QHCPKHFHSA-N 502.496 5.997 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865691800 BHJGHNWEFHXEGF-JOCHJYFZSA-N 543.849 6.002 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696263 YRRGJHYAAROINJ-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865702981 JXPRJNIMMVZNFP-XMMPIXPASA-N 534.513 6.195 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703720 CYISZWBGHXLLQM-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704980 JLCFRQSLUMGGAX-RUZDIDTESA-N 510.981 5.585 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1cccc(Cl)c1 1866130782 LWPOZAQOBLWWTM-LFIBNONCSA-N 513.779 5.319 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866667623 SGFORNSRVGFJKJ-VWLOTQADSA-N 531.037 5.785 50 10 KKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866821282 ZPRAMQRZSHIJPM-DQJRMYJUSA-N 522.095 6.373 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](c3ccccc3)Cc3ccccc32)n1 1868301812 YYLKDXDNFHGOLZ-SANMLTNESA-N 525.681 8.247 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc(-c3cccnc3)n2)cc1 1868566366 YNIYYEGGQSZLKA-UHFFFAOYSA-N 515.042 6.557 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccc3ccccc23)cs1 1872752922 YZGCDHWTQVTNHV-RFBIWTDZSA-N 505.599 6.842 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1sc(Br)cc1Br 1922939699 JCTBNLPBVHGUFO-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1sc(Br)cc1Br 1922945235 DPQIPXJXCCKCCA-SNVBAGLBSA-N 525.832 6.798 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)cc1Br 2032958987 QEYRGXGGDHEHBN-LLVKDONJSA-N 538.324 7.435 50 10 KKGE CCc1nc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2050331025 JUMQSJCEQGAMCH-YFKPBYRVSA-N 514.917 7.083 50 10 KKGE N#CC(=Cc1ccc(-c2ccc3c(c2)CCc2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)s1)C(=O)O 2053639374 SMXFFEPTKBNUQV-UHFFFAOYSA-N 574.705 9.795 50 10 KKGE CO[C@H]1/C=C/C=C(\C)C(=O)NC2=CC(=O)C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(=N)O)C2=O 2059128336 OAUJLFPWRFHSNE-QOTBBMECSA-O 891.079 7.320 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 2085493600 DPTTXGXNYMYKQC-JPOPXJHUSA-N 569.755 6.171 50 10 KKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)C1CCCCC1 2123272073 WEZOGFHPZHRQEO-UHFFFAOYSA-N 501.284 5.868 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2125302794 XRYPWTJBIOWARS-RTBURBONSA-N 503.775 5.346 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)c(F)c1Cl 2136954976 JPTDKICRMFFYRI-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467996 FREQVYVPHOMBMY-SNVBAGLBSA-N 645.603 7.885 50 10 KKGE FC1(F)CCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471984 YPLRYRUHRQFIRI-CDUCUWFYSA-N 590.720 7.608 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)cc2I)c1Br 2201081863 KUTZTFXTWMZQRW-HNNXBMFYSA-N 576.867 7.056 50 10 KKGE FC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2206401287 WKQMXUUJEMSDTK-LBPRGKRZSA-N 598.768 7.845 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2207260328 GBIXOGRPOJWMSJ-NSHDSACASA-N 767.511 8.588 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1c(Br)c(Br)cc(Br)c1Br 2207262821 SRSGSTMCYYYFSK-CYBMUJFWSA-N 723.060 8.432 50 10 KKGE CCCCc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2207271047 FSBMDGSKIAUQCO-QGZVFWFLSA-N 508.035 6.881 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)c(C)c1Cl 2224317591 PECBNHVQAABXQU-LLVKDONJSA-N 552.351 7.790 50 10 KKGE O=C(Nc1ccccc1CCBr)c1ccc(I)c(Br)c1 2238878680 SFNWHDPATAEWPY-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE Cl[C@@H](c1cocc1Br)c1c(Br)sc(Br)c1Br 2244211596 ZDCGZELPMLJMMK-ZETCQYMHSA-N 514.258 6.719 50 10 KKGE COc1ccc([C@H](Br)c2csc(I)c2)cc1I 2248886006 MLXNDCDSBYBQDO-LBPRGKRZSA-N 534.982 5.450 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)cc1Br 2282907337 NCOSMVYCZZLQDJ-ZDUSSCGKSA-N 554.248 7.390 50 10 KKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Br)cc2)cs1 2295937323 WDYMUVICYNQZLO-UHFFFAOYSA-N 518.314 6.674 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 2296506926 LZMDJRDFNHDSEP-HSZRJFAPSA-N 522.457 6.621 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458592 IJJTXKWEZWLESD-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@H](C)C2 2297459106 BGBCQNKOHXJIGZ-AWEZNQCLSA-N 539.997 6.417 50 10 KKGE Clc1cc(I)c([C@H](Br)c2c(Cl)cccc2Br)s1 2300953889 PLRLKXCRVLEQJJ-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Cc1scc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 2303652996 VAGFSHTWQKVWBQ-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)cc1 2313518121 KNTVNHHGJPQXBO-UHFFFAOYSA-N 552.412 6.431 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1Cl 2313545777 DYPBBNOKLGTHNJ-UHFFFAOYSA-N 613.883 5.788 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570648 BWXANRLEXHKTJL-UHFFFAOYSA-N 581.637 7.442 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1 2313571504 XXBSXNUYYHAHGV-UHFFFAOYSA-N 506.216 7.733 50 10 KKGE Cc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1I 2314447937 CSWIBMBMHPDVJD-HXUWFJFHSA-N 527.627 7.269 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591649 ALQWYSMMLGRKSM-NDEPHWFRSA-N 509.675 6.746 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592656 ZPHKGMGOWSXABE-RUZDIDTESA-N 586.035 7.131 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314592793 BVQQROBKBQOKNW-FIPFOOKPSA-N 509.675 6.224 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593105 HNWJDXDFFJKZES-RUZDIDTESA-N 502.039 6.528 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1F 2314611248 RMPDXZGPXXYGQU-UHFFFAOYSA-N 512.585 5.860 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C(C)=C(C#N)C2=O)cc1 2314617478 YYZVTIJPGVCUDE-UHFFFAOYSA-N 530.584 5.349 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2cc(Br)ccc2o1 2314792490 GNLKIBQZSUZFBW-UHFFFAOYSA-N 521.323 5.239 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 2328827832 UYVFPEUXAONULZ-VWLOTQADSA-N 508.018 5.505 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 2331376340 YHJWHICXVHOUPD-UHFFFAOYSA-N 512.631 7.222 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCCCc1ccccc1 2331469971 RXBOZRKYPMKKIL-UHFFFAOYSA-N 510.659 7.520 50 10 KKGE CCC1(CC)[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2341837497 LJKRLNCMTIGISL-KGLIPLIRSA-N 502.028 5.913 50 10 KKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)C1CCCCCC1 2349850105 GSXMVMZQTYFMDB-CQSZACIVSA-N 500.056 6.578 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362240956 SEGCKWHPCOELLP-VIFPVBQESA-N 554.277 6.293 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2scc(Br)c2C)c1Br 2365230412 IQSPRFARVIKTCD-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1888961 JDUHCUFRBGUNBH-XYZDCVNTSA-N 540.447 5.918 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1 33925447 MKFZTJCMDANHNK-LICLKQGHSA-N 502.195 6.881 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38660238 XMGIKJPBOPVWIN-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38681825 HOXPITITMBMCQU-WRONEBCDSA-N 512.606 6.190 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38684458 KXNZUFMKWVYWPX-MHZLTWQESA-N 504.970 5.640 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1Cl 38687702 VAMARYMUMMTMCG-NRFANRHFSA-N 501.753 6.093 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O 39858529 QODBWWQCFQRWRC-VKAVYKQESA-N 501.340 5.103 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1C 58832870 WNSULZPUSDJUGN-ZMOGYAJESA-N 521.617 7.485 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 59260993 BBDIELFOPWSPNN-KCSSXMTESA-N 520.662 5.933 50 10 KKGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100062079 CQCQEJNSRDSFRF-UHFFFAOYSA-N 601.089 5.041 50 10 KKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccc(I)cc2)cs1 101033914 RAJJPNZJHGIMRA-RVDMUPIBSA-N 525.327 6.647 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)ccc1Cl 101380426 UTSAVYNQPNXNRU-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382179 JFOYXHWKXFXOJD-YTTGMZPUSA-N 546.623 6.800 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386337 ZVVXGVRWTHWCTN-XIFFEERXSA-N 597.067 6.747 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386844 JZNIYZDLSZVVJC-HKBQPEDESA-N 566.585 6.249 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2cc1Cl 101390950 WKLITGQVZBVZLX-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccccc6c5C)ccc43)c2)cc1 101398218 KGVLMXHRKWCPQS-WJOKGBTCSA-N 542.591 7.066 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 101399476 PULVZZNYRSLNKA-SSEXGKCCSA-N 587.003 6.513 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594921 MGXKWYYQIAPUMZ-NDZAJKAJSA-N 552.812 6.242 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612179 FGCUYTYPDLGIPS-RDRPBHBLSA-N 520.800 6.036 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(C)c1 103877704 UIIFSDHGOOQUSA-QLQYKETESA-N 564.085 7.766 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 150486379 PZPKNHLTBXEACG-DHUJRADRSA-N 639.148 8.324 50 10 KKGE C[C@@H](c1ccccc1)c1cc(CO)c(O)c(SSc2cc([C@H](C)c3ccccc3)cc(CO)c2O)c1 206704486 RRQBBIRJCZYLES-BGYRXZFFSA-N 518.700 7.185 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214279712 LKAVZRXNVTVEAM-RHKOWXKBSA-N 626.716 8.064 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1COCC(F)(F)C(F)F 252593363 BJRFILLFYAVAEP-UHFFFAOYSA-N 555.572 6.496 50 10 KKGE Cc1ccccc1C(=O)Nc1ccccc1C(=O)NN=Cc1ccccc1OCc1ccccc1[N+](=O)[O-] 252610826 IDUNXWDILGIFGV-UHFFFAOYSA-N 508.534 5.498 50 10 KKGE CC(=NNC(=O)c1c(Br)c(C)nn1C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 252620688 MJTGAJSXUWZPFD-MRXNPFEDSA-N 546.853 5.013 50 10 KKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)CBr)CC[C@@]34C)[C@@H]12 254306174 AWEXTVRTNPEMJG-ZZEGAWFMSA-N 549.678 9.051 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 254395697 ZTUQCRBVKBCCHE-SNQPJSLBSA-N 507.631 5.021 50 10 KKGE Cc1cc(OCC(=O)NN=C2C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)c(C(C)C)cc1Cl 254837433 XVPXFVMBNYUYAB-UHFFFAOYSA-N 561.908 5.224 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)[C@H]2Br 256019096 KMAVOOJELOGKPL-KKXDTOCCSA-N 621.979 5.205 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616587567 FQWUSGHMQPXVGW-ZSXFNOLCSA-N 890.093 8.077 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 725418589 AIMWGLWFVBCVIK-NDEPHWFRSA-N 504.030 6.014 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1083913568 WKQQMVDVDYCIOX-UHFFFAOYSA-N 639.561 5.395 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1C 1083965829 WAPYUHRXLQYPIK-NDENLUEZSA-N 540.255 6.953 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084045088 RMYSSCUWKZYDBS-UHFFFAOYSA-N 646.980 6.970 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084131851 PAVYMSIPJBEIQA-JOCHJYFZSA-N 613.279 6.150 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084179233 XLARVWKRDWTVQN-VWLOTQADSA-N 511.416 5.391 50 10 KKGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084285990 YXVRKYGIYRZZPP-UHFFFAOYSA-N 628.548 6.527 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 1084502033 GTOPIPGKCNODJQ-UHFFFAOYSA-N 698.105 6.604 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1C 1084638347 RETNIHIRWPCZDL-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687971 FHGHRCQYWPDOOK-NDEPHWFRSA-N 522.605 5.292 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688850 CKEBQBPQNQJLBS-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689209 MPUNCOLZBJCNAP-VWLOTQADSA-N 512.997 5.801 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865691557 VKRFTVODLDRMDE-NDEPHWFRSA-N 555.078 7.379 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703307 SUGQHFMTHBFWEN-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccccc1C 1865703328 TWMMQCRPDSBYFV-MUUNZHRXSA-N 527.024 6.338 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OC(=O)c1ccccc1 1865705063 LDQNZVRXQWAZLD-MHZLTWQESA-N 541.567 5.380 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710677 DXZJEJFZRFQUFA-OAHLLOKOSA-N 529.238 5.891 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711311 VJWAIQRXDCTOEV-XMMPIXPASA-N 516.523 6.152 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866672873 WCBXWZACXDYZNC-SANMLTNESA-N 572.712 5.831 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1872755044 VZOGOJIBYBJFKT-BBSKCDMESA-N 503.624 6.010 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915128565 RZDLHYVPJQTYED-CYBMUJFWSA-N 504.060 6.028 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1923060342 BIXBGZVYNUOYQT-DTHBNOIPSA-N 505.541 7.969 50 10 KKGE CC1(C)C([C@H](Br)c2c(Br)sc(Br)c2Br)C1(C)C 1924584523 YUPBTIAEPXYNSW-ZCFIWIBFSA-N 509.927 7.154 50 10 KKGE CC[C@H](O[Si](C)(C)C)[C@H](CC[C@@H](O[Si](C)(C)C)[C@H](CCCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933247612 QJHWBZLGSFIVFC-GCXHJFECSA-N 651.239 9.741 50 10 KKGE Clc1sc([C@H](Br)c2sc(Br)cc2Br)cc1Br 1981402558 XZFGSVAZUANNFU-ZETCQYMHSA-N 530.326 7.235 50 10 KKGE CC(F)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048515 QJYUDBRHQBZCPO-QMMMGPOBSA-N 506.204 6.672 50 10 KKGE Clc1sc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2004901779 CWZSPZMQSMOSDJ-YFKPBYRVSA-N 520.320 7.779 50 10 KKGE CCC[C@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781163 DFSRQLGPTJSQNK-QTTZVWFDSA-N 512.305 7.453 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 2053589766 VSHDFFGFCDBFDD-UHFFFAOYSA-N 567.352 6.174 50 10 KKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2066676351 ZYYXGONSALYFGR-XPUUQOCRSA-N 527.898 5.666 50 10 KKGE CC(C)C(C)(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493894 IJVZLVDTQUSACE-LBPRGKRZSA-N 526.332 7.699 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)sc1Br 2089726287 VUNJMJRQEXVZDB-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE CC(C)(C)[C@@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 2111374638 RDCIFODGNMZBHC-WDSKDSINSA-N 503.472 7.633 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(I)cc2c1OCC2 2169667626 HUTTYDQOXQCNOB-AWEZNQCLSA-N 514.503 5.298 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2202350309 DAITWACKBBPWMF-AWEZNQCLSA-N 548.294 7.120 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)cc1I 2207259774 CRQRSELYVGKTRJ-CQSZACIVSA-N 574.876 6.618 50 10 KKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162325 UUTVUICWTJOVDO-TVQRCGJNSA-N 598.793 7.520 50 10 KKGE CC1CC(CC[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2251771010 JPEIAUCSQLBHSV-RRQHEKLDSA-N 509.927 7.298 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)sc2c1CCCC2 2293189913 VTQVVSNZNWDZRJ-UHFFFAOYSA-N 514.603 5.877 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)sc1Br 2295262804 MGSYNKSATGZPTD-LLVKDONJSA-N 568.350 7.490 50 10 KKGE Clc1cc(CBr)cc(Cl)c1OCc1cc(Br)ccc1Br 2296301278 SDVIQCSNJCRNPL-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1 2296398000 MFTBUCDRRHXCFT-UHFFFAOYSA-N 528.443 6.433 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567301 IMQLJSTVYMUELP-UHFFFAOYSA-N 599.298 6.185 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 2313568239 QFOBHZIXFLYNKL-UHFFFAOYSA-N 563.222 7.031 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccs4)c(NC(=O)c4ccco4)s3)o2)cc1 2314433799 UKPIFEAHGDIIFC-UHFFFAOYSA-N 541.610 7.218 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591710 BRGQDXNTJYAWSI-RUZDIDTESA-N 552.483 6.766 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591768 DPWJIOIRYPRQGQ-XMMPIXPASA-N 522.457 6.675 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591869 GMTJHDBBFKAIIW-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Br 2314646955 WJAZHCSQYYIBFW-VWLOTQADSA-N 669.557 5.227 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCCC)cc2OC)cc1OC 2314777690 PZHXFNGLLDLXOT-UHFFFAOYSA-N 534.653 6.105 50 10 KKGE FC1(F)C[C@]1(CBr)COc1c(I)cc(Cl)cc1I 2326808646 OBFMRZIZBKMDBQ-JTQLQIEISA-N 563.345 5.348 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331376375 YASVPSVBIJKRJC-UHFFFAOYSA-N 518.551 5.213 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331402770 ONTLRNDHIABADL-HSZRJFAPSA-N 501.608 5.939 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 2331480661 CUAMIMUOCPNMED-UHFFFAOYSA-N 519.848 7.096 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Cl)cccc1Br 2365223584 OQBBIXOLZJUBBT-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE CC1(C)CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](OCc2ccccc2)C1 2378004099 XWFIMCBVGSZKAB-CJFMBICVSA-N 512.738 5.101 50 10 KKGE Clc1ccc(I)cc1CO[C@H](CI)c1ccccc1Br 2380346606 PUCTZCGOQBDWED-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2232060 LOIFXVBWLQFXKS-JCMHNJIXSA-N 505.983 5.349 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739777 LBZSALQBEBERJV-IQQNDYETSA-N 512.418 5.638 50 10 KKGE CCC[C@H](Cl)CCC[C@H](Cl)CC[C@H](Cl)CC[C@H](Cl)CC[C@@H](Cl)CCC[C@@H](Cl)CCC 17263628 QKUNKVYPGIOQNP-FOZARLDVSA-N 545.334 10.912 50 10 KKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 33568594 ZDIKYRAYDWZAAZ-BWAHOGKJSA-N 511.541 6.660 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1OC 38658901 LIKHVZIHEQFAHK-SANMLTNESA-N 500.551 5.176 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 38679396 XXJYQXVATULRPK-MHZLTWQESA-N 500.551 5.320 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCC(C)C 38684216 DKGNDMXSFNIEGK-SSEXGKCCSA-N 520.585 6.321 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 38686258 BSELHVCXRBDLPE-PMERELPUSA-N 518.569 6.020 50 10 KKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2ccc(Br)cc2)cs1 100055278 OBGMRDMYSLXLKE-RAXLEYEMSA-N 508.182 6.154 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100066332 DGRUJDFZTWSRMU-UHFFFAOYSA-N 577.273 5.189 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 100234781 HZOAUHTXTWLMNZ-WGNDPNKDSA-N 590.312 6.153 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101333085 ORNDJOUGCAHFFY-PPOKSSTKSA-N 592.699 7.664 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101334369 UWGIXYVVOMKMAC-BANFAUBCSA-N 592.699 7.662 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101334928 CCVDLQIDJHHJOY-WGOQTCKBSA-N 515.529 5.240 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101337131 BUXAPMWBQOTWHZ-HQUMBPMSSA-N 588.639 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101340507 STLPZHALJASBGU-ZCTHSVRISA-N 588.683 7.204 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101372232 KMGBHWSBVRJRCN-WRGVRERRSA-N 560.622 6.384 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101373542 XAONHEQIUNRMAB-SANMLTNESA-N 549.421 6.074 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCCC(C)C 101374931 DZAQIPXPVLOSIP-WJOKGBTCSA-N 542.632 6.021 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(F)cc5)ccc43)cc2)cc1 101378499 ZPOIAZXKAITYEV-HKBQPEDESA-N 536.559 5.916 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381242 ZJLLFIRDFSGRBV-YVGXBJCXSA-N 605.449 7.303 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385502 BTKDZQMXAOVVTR-YTTGMZPUSA-N 532.596 5.949 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101389564 CZNQYKRIZYIYMW-UMSFTDKQSA-N 586.619 7.394 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 101390783 JWJDQZBNJPXTQC-RUZDIDTESA-N 531.033 7.171 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 101395308 YMOOKKDWHUVSIQ-NDEPHWFRSA-N 603.469 7.129 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101398064 KIBMQMIDOSZYAQ-HHHXNRCGSA-N 599.495 8.224 50 10 KKGE Cc1ccc(-n2c([C@H](C)N(CCc3ccccc3)C(=O)[C@@H](Cl)c3ccccc3)nc3ccccc3c2=O)cc1C 101983839 FDKFVQDYORMQQZ-FKAPRUDGSA-N 550.102 7.115 50 10 KKGE CC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(Br)cc2Br)=C(C#N)[C@H]1c1sccc1C 103617886 IXQKNKWOVKZALK-HXUWFJFHSA-N 595.382 6.547 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 103649431 ZPKPQNYUNRHRGE-MTJSOVHGSA-N 553.993 7.531 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2c(c1)OCO2 103883686 QULVDEKDUQDMAY-HYARGMPZSA-N 576.447 5.021 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 104996722 NNKYUSDXTYHNOE-LLZINOMRSA-N 533.628 5.337 50 10 KKGE N[C@@H](CCSSC(C[C@H](N)C(=O)O)(C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 150385776 QEWVVTXYWIZFHP-LQJZCPKCSA-N 712.846 5.422 50 10 KKGE CCCCCCCCCCCCCCCCCCOC(=O)CSSCC(=O)OCCCCCCCCCCCCCCCCCC 150388171 GHGUNJSYSJPISS-UHFFFAOYSA-N 687.194 13.977 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150461621 VAIWWADJAFUOHD-VGBOAXCZSA-N 648.741 5.172 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462713 PLODRVVZQDULJR-DEOSSOPVSA-N 745.657 10.042 50 10 KKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214345015 UFMCMTHVURCTKQ-QAEYNFOBSA-N 510.565 6.157 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 252626669 RDGJPZNRJHFRDI-DEOSSOPVSA-N 503.396 6.702 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 253387347 HXHZBDGHMVVORA-LSNBCCKMSA-N 544.893 8.526 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccc(OCc2ccccc2)c1 254703394 CQNWUKVXVUEHLX-UHFFFAOYSA-N 580.735 6.147 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254851593 PNVJVWYPFOWHMR-UHFFFAOYSA-N 645.362 8.134 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 256827090 RKPWDVVMCBUEMP-UQWVPHONSA-N 644.482 7.762 50 10 KKGE CC1(C)O[C@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@@]2(Cl)C[C@@H]1Cl 257601565 WIMMWIAJQXLZLL-JETBICHRSA-N 533.876 5.184 50 10 KKGE O=C(CCC(=O)N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 261492975 SAKKTJRKZSMFEF-BKHQUCPNSA-N 720.374 6.031 50 10 KKGE COC(=O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC)[C@H](OC)[C@H]1OC(C)=O 504677657 RRWCFRRJDLLSIP-FATRKNQESA-N 628.747 5.082 50 10 KKGE CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C 605692182 FEFSAYICFPDOFN-JRUKKJJMSA-N 775.393 13.275 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@@H]([C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](C)Cl)N(C)C1 605697917 KNWRANWQYPIVSF-GTYYYOLHSA-N 641.540 5.967 50 10 KKGE in-vitro CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCl 616573311 DIPQDDRSUCQCHV-HSZRJFAPSA-N 517.022 5.328 50 10 KKGE COc1ccc2c(c1)[C@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CC2 725238263 RIHSDZQBFIIOFB-OFNKIYASSA-N 522.976 5.892 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1 725386762 UIPMLWUCTXVUSQ-UHFFFAOYSA-N 595.519 5.211 50 10 KKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 725441504 IGTBHGDOGSBNOG-UHFFFAOYSA-N 569.108 8.636 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 1082442156 PTKBDLJNKFWQLQ-WDZFZDKYSA-N 518.747 6.217 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cccc(Cl)c1 1083879188 SWKJINFNFXNMCO-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1083900686 HNCWDOLSBLYJKM-UHFFFAOYSA-N 695.592 5.349 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1083935518 WRXDWLSJACYVKU-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1 1083950186 RMJBTZRAVRGJCL-UHFFFAOYSA-N 507.306 5.819 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl 1084246579 CMRSAMZUZIFBNE-UHFFFAOYSA-N 659.784 5.369 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1 1084387935 RXMHPYDXMHJSAK-JOCHJYFZSA-N 593.259 5.597 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084402137 QRQMTAQJBIYWBH-RGVLZGJSSA-N 644.282 6.519 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 1084418934 GSBVQILPXAHEAY-QFIPXVFZSA-N 502.354 5.445 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084462949 NZGGKJLVUXZJDJ-UHFFFAOYSA-N 631.535 8.261 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084468442 JZZWBHLBLHKMBS-UHFFFAOYSA-N 626.091 5.019 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F 1084511556 CJHRJTGEZIGDDE-UHFFFAOYSA-N 612.499 7.706 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)NN=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 1084604092 CAGOOIJVCUBDFY-ZAAHASPPSA-N 696.001 6.564 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)c2ccc(C)cc2)cc1Br 1084613071 RXLCGCVSVNTJAS-UHFFFAOYSA-N 622.541 5.691 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 1084636974 VARHVAKBMOUEAO-JOCHJYFZSA-N 623.285 5.605 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749783 ZPWIJZJMOFLRKW-UHFFFAOYSA-N 505.618 5.830 50 10 KKGE CC1(C)COC(CC[C@@H](C(=O)N2C(=O)OC[C@H]2c2ccccc2)[C@@H](Nc2ccc(F)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccc(F)cc2)OC1 1848437295 ILUMERHNJVSKQE-VFBMNZBOSA-N 770.990 10.545 50 10 KKGE CN1[C@H]2CCCC[C@@H]2N(C)[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)[C@H]1c1ccccc1P(c1ccccc1)c1ccccc1 1857788324 GLAGDVXPTFPLAJ-TWOGUARRSA-N 688.836 8.174 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)c1 1865690445 RNFYTHGBBGAWJR-VWLOTQADSA-N 512.997 5.877 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690529 UBFMVKFCRHRULR-SANMLTNESA-N 531.443 6.929 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865694983 HENDTLCHSNWSFD-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865696194 YDPINLVUUSSIDG-MUUNZHRXSA-N 520.633 6.394 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865708910 JAWCFTULLTZZQZ-HHHXNRCGSA-N 564.086 5.342 50 10 KKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)cc2C1=O 1866130813 NZJWHCRLRRYEFW-WOJGMQOQSA-N 500.352 5.412 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866776040 RRNMWVABGYHLGQ-KAYWLYCHSA-N 531.678 5.778 50 10 KKGE CSCC[C@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046541 QAFKROLPRWLPFF-FCHUYYIVSA-N 567.762 5.190 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)nc(Cc3ccccc3)n2)cc1 1868207152 IDDJLJQSEOHRCN-JOCHJYFZSA-N 507.619 6.107 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2C(C)C)n1 1868253534 KRLFPBWQEMRAEX-NDEPHWFRSA-N 519.671 5.759 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3Cc3ccc(Br)cc3)n2)cc1 1868320398 ITDBSIKAEFVWHV-VWLOTQADSA-N 556.533 7.743 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)n2)c1 1868505251 DVPQRULSZPUSRR-UHFFFAOYSA-N 560.683 7.050 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 1872744474 UJEGXOOJVFEXBZ-SPICPHANSA-N 507.571 5.519 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 1872755553 SPVKUWLOYWFKSC-KRFPAQGRSA-N 503.624 5.798 50 10 KKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872791017 QYNFHOQWTAAGPV-FYJGNVAPSA-N 525.512 8.221 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 1872794393 YYQVJIHTWONXOA-HZHRSRAPSA-N 523.057 8.577 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 1873793662 VPSMCHFTJZLLHU-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 1898077773 DHMVJAJBPBJGFT-SGTYWVLOSA-N 561.131 6.800 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 1908040203 UUPNATGPXXFZCZ-SKHQTKALSA-N 509.883 5.897 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915298380 SHMFETSFEUSKOY-GOSISDBHSA-N 518.087 6.274 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(Br)cc1 1923050609 XIYRERYJHKQVMM-QMMMGPOBSA-N 524.297 7.173 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1csc(I)c1 1923071498 JETXZLMIMZRGIL-LURJTMIESA-N 577.326 7.077 50 10 KKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951250201 HVOWWFINYLJFLV-AYFZAPKBSA-N 509.883 5.897 50 10 KKGE Brc1cc(NC[C@H]2C[C@@H](Br)C2)cc(Br)c1I 1991472753 JBVWAVNKWHLVFE-KNVOCYPGSA-N 523.832 5.402 50 10 KKGE O=C(C=Cc1nc2ccccc2s1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 2042447644 AFRMDGMTRQDNPA-UHFFFAOYSA-N 509.509 5.939 50 10 KKGE N#CC(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)=C1NC(c2ccc(Cl)cc2)=CS1 2053614312 LOSHWYYYBZGLGA-UHFFFAOYSA-N 527.093 5.686 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12 2053622566 FBJGEXZDGOLEBY-UHFFFAOYSA-N 619.415 6.876 50 10 KKGE C[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493564 DCULNXYOKYOUQF-FWXDICJISA-N 524.316 7.453 50 10 KKGE COc1c(Br)cc(CNCCSSCCNC(=O)OC(C)(C)C)cc1Br 2125293132 KNRRTLUTOMEHRC-UHFFFAOYSA-N 530.348 5.216 50 10 KKGE COc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)cc1Br 2138162883 VXJAKXLVKPLZBV-SNVBAGLBSA-N 537.868 6.668 50 10 KKGE CC(F)(F)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468751 NGZLUFXKJUQSGZ-SNVBAGLBSA-N 590.720 7.608 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CCCCC2)CO1 2166260564 JYUIWYZSWHYCGG-LDYMZIIASA-N 507.513 7.055 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c1Br 2201067903 BVOBUSUYSMMHSF-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399993 NYOQDNHUBWXWPX-VXGBXAGGSA-N 600.765 6.367 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2206400664 RYHQUGMIFLCIGG-ZNWBZCOPSA-N 596.777 6.988 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H](C)CCOCc1ccccc1 2225684607 CLFXKERXKFESSC-ZIAGYGMSSA-N 500.662 7.029 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)ccc1I 2232515178 XQCZTVOTAGOKCR-HNNXBMFYSA-N 528.453 7.117 50 10 KKGE C[C@@H]1[C@@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234072899 ZJBOAUGUISOZJN-KUHUBIRLSA-N 511.689 6.178 50 10 KKGE CCc1cc([C@@H](Br)c2cc(I)ccc2F)sc1Br 2256053639 NVWUQWIOPQJRDI-LBPRGKRZSA-N 504.000 6.301 50 10 KKGE Cc1c(Br)cccc1CO[C@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2256389970 NDFFZLGWPGYVKI-IBGZPJMESA-N 524.237 5.479 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)cc1Br 2267746599 KURVDJXYAOTYET-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1I 2269556467 PAJHHZQJYRGAIW-CQSZACIVSA-N 563.398 6.042 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCCCn1ccnc1 2296547662 XIMLKWQHXLKGEF-UHFFFAOYSA-N 546.606 5.567 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 2297458706 XCDVITOUQLVFKB-VWLOTQADSA-N 546.490 5.543 50 10 KKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571489 XKEZABQDQITJKA-UHFFFAOYSA-N 576.015 5.918 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1c(Br)cccc1Br 2314460380 NINUITQWJDFIBV-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314492362 WNDJLCUEFJAJHM-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc(Br)ccc1OCc1ccccc1 2314502254 GXZQADRNNGFWHR-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591641 AGYOGWNRWDMGGZ-NDEPHWFRSA-N 509.675 6.800 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 2314616541 DDANPOVSOVPUPG-UHFFFAOYSA-N 590.655 6.658 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 2314617061 QBMYMGLFSLFBBY-UHFFFAOYSA-N 552.650 6.782 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)sc1Cl 2317957253 JOOLKBATVKAYQK-ZCFIWIBFSA-N 560.352 7.243 50 10 KKGE Clc1nc(OCc2cc(I)ccc2Br)sc1CBr 2319165092 NVPHYWSBNUYZON-UHFFFAOYSA-N 523.415 5.638 50 10 KKGE COc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 2321721559 ISFWSBFCFKSZGH-IBGZPJMESA-N 502.011 5.025 50 10 KKGE CC(C)C[C@H](CBr)COc1c(I)cc(I)cc1I 2328545354 YSMYXLAXTUDHRI-SECBINFHSA-N 648.886 5.936 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663789 QJQKEQHXRKHPTO-UHFFFAOYSA-N 511.397 5.909 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cccc(Oc4ccccc4)c3)n2)cc1 2331345787 YSGIJSDTLISJQQ-UHFFFAOYSA-N 510.659 8.901 50 10 KKGE Clc1ccc(C[C@H](CBr)c2ccccc2Br)cc1I 2337225300 KIFMROMTTKNCKQ-LLVKDONJSA-N 514.426 6.428 50 10 KKGE Cl[C@H](CCc1ccc(I)c(Br)c1)c1cccc(Br)c1 2349836437 MJUWOJUSBPMKQI-CQSZACIVSA-N 514.426 6.729 50 10 KKGE CC(C)(C)[C@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2349836872 OWENRFDDAONTDX-BXUZGUMPSA-N 501.044 5.438 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)c(C)nn1C 2365226826 YWTLTTRYIKWXJK-LLVKDONJSA-N 533.859 5.948 50 10 KKGE CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 6190628 CJBYDSQSCLKCLP-QHCPKHFHSA-N 587.312 5.340 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 14638590 MYGASJFFLUQRGA-UHFFFAOYSA-N 519.667 5.217 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C 14648328 WAZWUWNYHASJON-UHFFFAOYSA-N 505.453 5.680 50 10 KKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 33378976 QQONSQFWIJPFBE-HKOYGPOVSA-N 510.569 5.317 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38660155 GJEBEVYCSJOMSH-SSEXGKCCSA-N 528.605 5.694 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)oc2ccc(F)cc12 38700569 VJCCPQWDPXTRQJ-QFIPXVFZSA-N 509.320 6.625 50 10 KKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 39850228 LOMPUGXDUQXPNP-HKOYGPOVSA-N 522.605 5.221 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccccc5Cl)c(C)c43)coc2c1C 40826594 VANFYXSMMONQMQ-AWSUPERCSA-N 518.013 5.934 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 40924892 NAJXBPLPYXUPLI-VULFUBBASA-N 504.077 6.284 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)ccc1OCCC(C)C 40999881 SKAGNYDAWPYNLM-KKTPBOSZSA-N 506.599 5.179 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 59474958 UYFJKDLLKIHFRC-YDZHTSKRSA-N 519.439 6.898 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914984 OFFXTTVQAHIBKP-VWLOTQADSA-N 507.096 5.693 50 10 KKGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100184658 NPLQXHSXSPVUCD-UHFFFAOYSA-N 526.865 5.055 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1 100335684 YERSZAAZKXBLCX-RQZCQDPDSA-N 532.221 6.889 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101079316 RRNIEQRQJOEXQI-FEZSWGLMSA-N 542.433 6.740 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245726 IZHNOMGRWBGUMM-IEQIIXMPSA-N 518.038 6.112 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101373783 USGIRDRVTJZCJZ-XIFFEERXSA-N 560.650 6.830 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101374973 NOJOOXVVCYSZMA-NDEPHWFRSA-N 543.576 5.856 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101375057 YVYUYBVFSLIPNW-KEEVHDRGSA-N 560.622 6.240 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101375290 LXHSNYLXURMCQH-LJAQVGFWSA-N 591.502 7.244 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383715 QDBVLFFNYDYMNE-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385589 PSMXATGLUNIZFQ-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387780 WVXYXZFCOARWSF-UUWRZZSWSA-N 576.649 6.484 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388269 GFXRRUZHJOYYTM-MQFAKOPTSA-N 615.057 7.048 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101393267 MZFAEUHMCXWFPZ-NDEPHWFRSA-N 549.023 6.364 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2cc1Cl 101397674 DMQHYTXNSQRTOZ-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599237 IQYNDEHHZDRIHM-KBVAKVRCSA-N 568.777 6.745 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCN(c6ccccc6F)CC5)c(C)c43)coc2c1C 101619593 HRMFJINUMYSCFV-YQCHCMBFSA-N 556.638 5.452 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccccc1 103123901 FDQXXZGHNVGFBG-MOCCXMHUSA-N 583.476 5.804 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806373 YAUGGNMNKCEREP-JKRXFJRJSA-N 611.661 5.137 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 103879377 LEILLOOQQSEFRG-KEIPNQJHSA-N 529.596 6.494 50 10 KKGE CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 118920364 UISXOAJBTYXLPL-MPYOGPBGSA-N 633.701 6.787 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)cc1Br 128655429 XOBNRMOYAWXYPG-CQSZACIVSA-N 500.399 6.453 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128857092 QWUMEXGKNSJGNL-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(I)cc2)cc1 150428071 QHCKFLWPLREWFA-ABZYITTCSA-N 637.312 5.995 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2cc(Br)ccc12 150482613 OLUSRRGIHSACCL-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 164017169 DWHHESAONKCXEY-FABQOPTDSA-N 638.130 8.179 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164634333 WFEJDCQVTAIBGX-IPBVOBEMSA-N 735.541 7.401 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cn1)c1ccccc1Br 169005287 LGOADXKVXQWJDB-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214433361 NGTSLHHJNLSLID-COEJQBHMSA-N 596.684 5.199 50 10 KKGE CCCCCCOc1ccc(OCCOc2c(I)cc(C=NNC(=O)c3ccncc3)cc2OC)cc1 252624857 PWQAFBZFXJFLBI-UHFFFAOYSA-N 617.484 5.876 50 10 KKGE CC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254462095 DYQGRMXSTLYEBI-UHFFFAOYSA-N 539.451 6.130 50 10 KKGE COc1cc(-c2cc(C(=O)NN=C(C)c3ccc(-n4ccnc4)cc3)c3ccccc3n2)cc(OC)c1OC 254764077 BGKSQGCDIMDNNZ-UHFFFAOYSA-N 521.577 5.267 50 10 KKGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(OC)c1 254873996 MHKBXOQJEVPLNO-UHFFFAOYSA-N 540.692 5.252 50 10 KKGE O=C(CNC(=O)c1ccc2ccccc2c1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254905438 WOJUTUCEUIUUTL-UHFFFAOYSA-N 533.506 5.199 50 10 KKGE O=C(CCC(=O)NN=Cc1c2ccccc2cc2ccccc12)NN=Cc1c2ccccc2cc2ccccc12 257351747 GWEXSSDAKCLUAM-UHFFFAOYSA-N 522.608 6.680 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1I 721680013 ONMVATUHIAMIKQ-LBPRGKRZSA-N 548.813 6.440 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083818427 RALYOFHHSKCHRY-CQCRDEEPSA-N 662.852 7.227 50 10 KKGE COc1ccccc1C(=O)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1083923972 JPTVYLVECYKNHC-UHFFFAOYSA-N 583.167 6.250 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1083929472 CBSQSKKMTUZHNG-UHFFFAOYSA-N 625.534 5.352 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1 1083936074 QMWGIIITAKNITE-RQZCQDPDSA-N 595.118 7.952 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1083990564 LALJAMRHQWMRRD-OVCLIPMQSA-N 510.179 7.564 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084125697 SYCLHNRSLVXFEB-UHFFFAOYSA-N 643.991 6.254 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 1084137147 FJQLMTXJPXKSMX-AREMUKBSSA-N 551.868 6.799 50 10 KKGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1084315456 RNAKSKYIMWRQDS-UHFFFAOYSA-N 612.933 6.027 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084372619 CZLFRBQEECKGSY-UHFFFAOYSA-N 558.704 5.374 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1 1084413634 TXVABEVWBFOCTI-UHFFFAOYSA-N 533.809 7.345 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 1084428866 WYXGXEFCGWGARN-UHFFFAOYSA-N 596.706 8.342 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747069 CNIKQIMBTUUPEA-UHFFFAOYSA-N 506.606 5.174 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434923 MEIKKMCUTRNHMT-SULMCHMHSA-N 679.405 5.437 50 10 KKGE CC1=CC[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@H](C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3OCC(=CC=C[C@H](C)[C@@H]1O)[C@]32O 1848440269 UDSBHISMKVVKSA-KYJHCDAYSA-N 687.003 7.171 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)ccc1O 1865680958 BEBGUYYNVOUMAM-HHHXNRCGSA-N 522.605 5.546 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865690086 INDRNEMEDBKHTR-FQEVSTJZSA-N 502.924 6.001 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865690757 AGSCERAWFHOZOP-SSEXGKCCSA-N 548.687 7.093 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865693078 HMOUXKDVNMPNCA-SANMLTNESA-N 510.569 5.753 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OCC)c(OC)c1 1865696613 IPJGPLRXLNLWHQ-OAQYLSRUSA-N 539.430 5.357 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696863 SJAAZGNOLPAISU-QHCPKHFHSA-N 513.425 6.146 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697919 FUGFMJFEZHSZAW-XMMPIXPASA-N 551.485 5.969 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703344 UKZLNTUPBVAHOA-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706684 CLMGCDXUQDPTNQ-MUUNZHRXSA-N 558.513 7.045 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707208 QQCOAYSSPGUSSH-JOCHJYFZSA-N 535.387 5.787 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712929 MEXGKFKHDCJFAC-MRXNPFEDSA-N 510.259 5.383 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1868301318 NTKQLUAWJJTZJH-RXFWQSSRSA-N 511.626 6.874 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(Cl)c3)nc(-c3cccnc3)n2)cc1 1868565495 LRPWADIYVWUKNS-SSEXGKCCSA-N 547.087 7.661 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 1872747361 ZFCUMXJUDCEFEE-NSEBISDSSA-N 507.571 5.519 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872792211 LNOHDMCNLDOBBM-HYARGMPZSA-N 513.449 8.913 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)c(OCC)c1 1872793706 PCBPKRYBYKUSEC-OVCLIPMQSA-N 501.402 6.148 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CCl)C2CC2)cc1Br 1915154771 WQRACKABNZEVNQ-GOSISDBHSA-N 521.702 5.728 50 10 KKGE Fc1cccc([C@H](Cl)c2sc(Br)cc2Br)c1I 1922886031 JVAWKOSAAJHGFB-VIFPVBQESA-N 510.391 6.345 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048767 IUFXJHRUPNSAMM-MRVPVSSYSA-N 511.863 7.465 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCc3ccccc32)c1Br 1924599683 KRVUIKYDRFCGEO-JQWIXIFHSA-N 543.944 7.592 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924602189 UASREGSGIJUUOM-QMMMGPOBSA-N 557.849 7.539 50 10 KKGE FC(F)(F)c1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614799 REIPNICRMBYXDK-ZCFIWIBFSA-N 563.878 7.600 50 10 KKGE O=S1(=O)CCC[C@@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924615918 IKPJRAOZSAYZLO-XRGYYRRGSA-N 501.487 5.140 50 10 KKGE Brc1cc([C@@H](Br)c2cccc(Br)c2Br)c(Br)s1 1943904355 WXGZKOVPEYCXTR-VIFPVBQESA-N 568.748 7.282 50 10 KKGE C[C@@H]1C[C@]1(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025784367 UOHFLQZBCNQXRL-LYBRREIPSA-N 514.252 6.765 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 2085496967 YWILNRBTTVDUDU-KNAPAATOSA-N 566.751 7.219 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2098112810 ADEHIINOSSLDFJ-ZWKOTPCHSA-N 500.662 5.087 50 10 KKGE Clc1ccc(I)c(CC[C@@H](Br)c2cccc(Br)c2)c1 2113492359 ACHSASUOBRUBPX-CQSZACIVSA-N 514.426 6.776 50 10 KKGE COCc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2134746027 PJUOLFVMBGMDFK-JTQLQIEISA-N 533.905 6.666 50 10 KKGE Clc1cc(Br)cc(COc2c(Br)cc(Cl)cc2CBr)c1 2166823001 CRZGTNZAAZGOJU-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC23CCOCC3)c1Br 2206396236 UQHXVTAIIQZMOP-RDDDGLTNSA-N 596.777 6.989 50 10 KKGE Cc1c(Br)cccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406230 XAVOLNBYPIVZKT-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1ccc(Br)cc1I 2207257412 BJONZZFQLJTNAL-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE CC1CCC(CBr)(NC(=O)c2ccc(Br)cc2I)CC1 2207273824 WRWZVESEBWTUFK-UHFFFAOYSA-N 515.027 5.127 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(I)sn1 2215853435 GIASQPCIVPQQAE-MRVPVSSYSA-N 507.416 5.842 50 10 KKGE Cc1sc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(C)c1Br 2234465348 VTBTVELQLVFDGF-SECBINFHSA-N 513.036 7.455 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)c(F)c1Br 2236106907 FGJTZRZXUKHRIF-LLVKDONJSA-N 537.793 6.876 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2270429832 QIKKPVJXHZLTFH-SECBINFHSA-N 600.765 7.730 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc(O)c2ccccc2n1 2296546043 JFLDSAYGOGSCED-UHFFFAOYSA-N 556.025 7.485 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647842 LEOMEJUVCCNLKQ-UHFFFAOYSA-N 612.436 5.318 50 10 KKGE CCCC[C@@H](CC)CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2296706062 SCLJTPCEDWJYJX-RUZDIDTESA-N 567.133 8.011 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790157 SWGHYTCSVZYUBF-FQEVSTJZSA-N 519.736 7.793 50 10 KKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c(C)n1CCC(C)C 2297486953 MSQDYZIQKPTYPM-MHZLTWQESA-N 547.055 6.226 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521513 TVBLTYAVHYXNAO-UHFFFAOYSA-N 574.302 7.896 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N1CCCCC1 2314478822 WSLKFWZVFRNDGE-UHFFFAOYSA-N 523.036 6.691 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2314500910 RXHFZZVTJLRDIK-LJQANCHMSA-N 545.134 7.953 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593519 OJBYYMOPHMOYFK-QHCPKHFHSA-N 507.999 5.074 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593945 WGMUGUOQGRBKBA-NFQMXDRXSA-N 511.647 5.561 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646720 KWKJRQBQNMNXAO-WJOKGBTCSA-N 701.204 6.688 50 10 KKGE Clc1nc(OCc2ccc(I)c(Br)c2)sc1CBr 2325386076 JCRDRPSFRPTTJC-UHFFFAOYSA-N 523.415 5.638 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311648 JBQPETLLQOBVDD-ZDUSSCGKSA-N 520.825 6.625 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318659 LMMXCCWEZPHLLL-QHCPKHFHSA-N 519.648 5.809 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1 2331339473 JACWTGXXDQVVAA-CQSZACIVSA-N 511.828 7.639 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)CC1=O 2331390445 MGNHYWZLEZZGCQ-GOSISDBHSA-N 508.043 6.497 50 10 KKGE Cc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)sc1Br 2337082457 MELXBXRGMZBACK-JTQLQIEISA-N 511.863 7.465 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2sc(Cl)cc2I)c1 2341116656 MIIRVCOPPBISJM-SNVBAGLBSA-N 510.449 7.382 50 10 KKGE Cc1cc(Br)c(NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 1949796 FBIOHPSQAHORTL-UVHMKAGCSA-N 531.248 5.661 50 10 KKGE CC(C)/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 14645016 QMFQXMVXLQRRHO-XTCLZLMSSA-N 504.222 5.920 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38684071 GPENNAAUBHVLFC-MHZLTWQESA-N 502.542 5.841 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38687555 BUNFPSREMMPRAN-NDEPHWFRSA-N 508.574 6.666 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 39858557 LUENYIQHMJCENE-AQTBWJFISA-N 515.367 5.412 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1OC 40870156 FDIZZDKBEZVPLJ-LDADJPATSA-N 511.361 5.453 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12 59463010 QXMNETLKVJJAJX-FJEPWZHXSA-N 509.440 6.332 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100186632 YAOFBDJHIBBELM-UHFFFAOYSA-N 547.302 5.664 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 100232061 LKMMZTZOQYIRNQ-XZJBEKIMSA-N 529.406 5.530 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 100238592 FFZXLGVYOQULHC-GDKBXFSLSA-N 560.647 5.454 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101337143 NRBZKSHLYSAXAS-RQXUYICXSA-N 620.709 7.043 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 101361050 SDZWKJZEADUQDO-GOSISDBHSA-N 600.669 7.165 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 101373987 JOXSYEFVSGSVED-SSEXGKCCSA-N 542.632 6.489 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5C)ccc43)cc2)cc1 101378534 RZPJZENRXNBDFW-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379392 XBPFCQDYKHHTQY-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379738 LMJMEWNJKRWNMB-MDNUBFPJSA-N 591.107 8.053 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386404 DJFCMHPHHAAKIQ-UMSFTDKQSA-N 611.094 7.254 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101386945 OIUKWMQLUYNXJW-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(C)cc1 101387648 PRSQOCNJPRBZJB-YTTGMZPUSA-N 562.622 6.419 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc(OC)c1OC 101393519 FTMKENQGCGMGNL-SANMLTNESA-N 540.572 5.821 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1Cl 101394333 FNZYLMXEPMMNTK-HXUWFJFHSA-N 536.198 6.746 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101394766 TWDXFNNVAUSYLB-XZWHSSHBSA-N 556.615 5.618 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602709 TXNPDUMFJVQSIK-FMIFUCRQSA-N 541.651 7.054 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](Cl)COC(=O)CCCCCCC/C=C\CCCCCCCC 101925449 ZMFJCZXJMLCEFW-QPNAJOTBSA-N 637.430 12.531 50 10 KKGE in-vitro CCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1I 102933205 QTDBKYBPLLXPTQ-GHXNOFRVSA-N 576.026 5.761 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 103748007 CWFILFRWNXOMGJ-IPPBACCNSA-N 524.411 6.231 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2csc(I)c2)cc1OC 124417130 AQWXPHUOLXXRTC-ZDUSSCGKSA-N 518.008 5.617 50 10 KKGE O=C(N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1ccco1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 150343074 RUFCLYYYKVSGBK-WACCPVQCSA-N 681.293 5.674 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433213 PELHBQOMQLOGDZ-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C)[C@@H]2Br 150481021 MXZBYHNXKPRTPT-FJGYLKSLSA-N 644.444 8.344 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)sc2c1CC[C@@H](C)C2 150485822 KXBWPCRCAZELIH-RPKKHSHHSA-N 674.219 7.452 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)cc1 205780774 DLLWQLJLJMJCFF-MGIIWKBQSA-N 676.795 5.808 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OCC)c1 207166659 ZGZWHDPOTDCHRN-GSVOQZKSSA-N 507.583 5.608 50 10 KKGE C[C@H](CO)[C@@H]1CC[C@H]2/C(=C\[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@]12C 210160148 VGPRIHGJOIJOMO-NLNKPZJNSA-N 508.841 6.426 50 10 KKGE in-vitro C=C1/C(=C\C[C@@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212164399 NUBKILNTQUZPAJ-MAHMXOPVSA-N 661.173 11.636 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214332619 LUNFCANRPYCXQH-SZJFIWSWSA-N 559.582 5.810 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 234842068 QJBKTGILNRCOPN-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)s1 235821493 PHZXQGLCYOHNLW-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1cc(Br)ccc1O 245289886 FWQPXBYVFNIPLA-UHFFFAOYSA-N 538.445 6.984 50 10 KKGE CC(=NNC(=O)c1c(Br)c(C)nn1C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 252620687 MJTGAJSXUWZPFD-INIZCTEOSA-N 546.853 5.013 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)NN=Cc2cc(Br)c(OCC=C)c(OC)c2)cc1OC 252624306 PLHDAHJULPQKAZ-UHFFFAOYSA-N 596.276 5.026 50 10 KKGE COc1ccc(C=NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1CSc1nc(C(F)F)cc(C)c1C#N 252631509 VLNIPXMCBVOUFB-UHFFFAOYSA-N 582.032 6.881 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccccc1OCc1ccc(C(=O)OC)cc1 254557107 GXQFSGKBAHUQRP-UHFFFAOYSA-N 551.728 6.320 50 10 KKGE CC(C)CC(=O)N[C@@H](Oc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1)C(Cl)(Cl)Cl 254856252 WDMLWWPAUWVCTA-DEOSSOPVSA-N 536.843 5.547 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(Cl)cc1 256017553 SDQOXAJVOHBCNY-GOSISDBHSA-N 501.410 6.115 50 10 KKGE ClCc1c(Oc2c(I)cc(Cl)cc2I)nc2sccn12 394235455 PBNCXYCJSYMRCM-UHFFFAOYSA-N 550.974 5.790 50 10 KKGE Clc1cc([C@@H](Br)c2cc(I)ccc2Br)c(Cl)c(Cl)c1Cl 405069806 GAXHWDDBHLCNIT-JTQLQIEISA-N 589.707 8.152 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O[C@H]1CC[C@H](N(C)C)[C@@H](C)O1)[C@H](C)C2 575232767 ZFKWIQIRGQWRDP-FYPIVAPUSA-N 957.329 5.512 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616585918 GEYKFJRDKMXPMQ-SPAQEMODSA-N 702.964 7.691 50 10 KKGE Clc1cc(I)c(Oc2ccc(CBr)nc2)c(I)c1 703429301 GVQCYOKBLPTQAB-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE ClCCc1nc2cc(I)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705611948 UOPSVUQIJDYTAE-UHFFFAOYSA-N 571.890 5.894 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(OC)c1Cl 707834392 IZJQOMLYEFMEIL-VIFPVBQESA-N 505.453 6.428 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Br)cc1 1084075143 DWWVTDCSWMRNNN-ATVHPVEESA-N 532.221 6.889 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1084127259 KJPUJLLTWNJAEL-UHFFFAOYSA-N 656.960 8.332 50 10 KKGE CCOc1cc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 1084216051 WITWRVZOCKIGPG-UHFFFAOYSA-N 529.666 5.179 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084323631 ODVHQUDHMVTHDA-UHFFFAOYSA-N 589.039 6.112 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084386977 SBSNOCQHTYUUFR-DEOSSOPVSA-N 583.766 5.192 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084545179 JKAPWZQEWRAFAK-LGUFXXKBSA-N 562.739 7.703 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084597823 ZZWLMNDUTNMARV-VCHYOVAHSA-N 590.257 6.977 50 10 KKGE Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084604231 CGPOHXZCBOHCTE-UHFFFAOYSA-N 568.636 5.679 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O 1084649759 PIYHHKZQIDZQES-RIYZIHGNSA-N 510.171 5.493 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653264 CDIQGLBDCVAPNZ-JVHLIXIRSA-N 552.483 6.306 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772748433 XKJQRRPAAUUTAO-UHFFFAOYSA-N 551.415 5.007 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754335 YAAZLWBTAGHSFX-UHFFFAOYSA-N 597.101 6.082 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@H](SC)[C@@H]1O 1776009738 ZGCNMHQDCCSXMS-GNZGNAFVSA-N 663.406 6.422 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C 1848440178 BIXAHQXISUOAKE-LTXDKZCQSA-N 583.059 10.755 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689201 MLQONWNQIMWXSJ-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1OC 1865695191 MGLPMAOXRABENV-VWLOTQADSA-N 573.447 5.936 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865695260 AUNKYJNPKUFBNP-GDLZYMKVSA-N 550.659 6.403 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696175 KORARFBJUPICQD-SFHVURJKSA-N 506.187 5.428 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701790 FLRXABHQSJEDJN-HSZRJFAPSA-N 565.830 6.380 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710665 DRTGFDVWBDJOOS-QFIPXVFZSA-N 522.914 6.438 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866774049 YUMISTCUOYWDGA-WDYNHAJCSA-N 523.633 6.287 50 10 KKGE Cc1nnc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867034770 OMSCGOIIVCIJSZ-RPBOFIJWSA-N 590.503 5.602 50 10 KKGE Cc1cc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867171848 DGWVEUFCXIOZSK-RUZDIDTESA-N 545.665 5.564 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872746024 ODNWRRCUIBVDQA-RITGCEONSA-N 507.571 5.519 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066385 OWCWEYDDWMGMSQ-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2050468514 XLNXYBGANPWCRP-QMMMGPOBSA-N 544.836 7.045 50 10 KKGE CC(=O)OC(=O)[C@@]12CCC(C)(C)C[C@@H]1C1=CC[C@H]3[C@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]1(C)CC2 2085148109 ABUHPHDFZWIMHE-JZLDRCCWSA-N 540.785 7.810 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085493568 DGUHNTXZCVYCBM-NWDGAFQWSA-N 570.739 6.742 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1ccc(I)c(Br)c1 2104776840 ONTVGBQKEZSRPS-SNVBAGLBSA-N 534.844 7.039 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1Cl 2138643344 QNAXALSHVZOYRS-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)cc2Br)c1Br 2138848870 BVAQFCASCFUUDQ-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Br[C@H](Cc1ccccc1I)c1cc(I)cc2c1OCC2 2143869148 WJKBZDUVMJWDQW-CQSZACIVSA-N 554.991 5.509 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2198737352 OIARPSZDYMGJSL-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3ccc(Br)cc3I)ccc2N1 2207271475 IPJYOAPUGOTWRS-OAHLLOKOSA-N 506.963 5.033 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cccc(I)c1 2221697427 MDCMPADCZFTSLV-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)c(C)c1Cl 2232528106 QZERYVAKTICQFP-CQSZACIVSA-N 532.416 6.947 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Cl 2237453259 MXYPGVXPGGURQG-CYBMUJFWSA-N 501.871 7.506 50 10 KKGE Cc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)ccc1I 2238077364 SQRGBZVNSSSHKU-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Cc1c(Br)cccc1CO[C@H](CI)c1ccccc1Br 2283655658 UUKSBXJDIDIHKE-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE COc1c([C@@H](Br)c2cc(Br)sc2Br)cc(Br)c(C)c1C 2284584962 CNMWBUGMQBHPJX-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293198171 CCOWGSVXXGLQRJ-HSZRJFAPSA-N 508.430 5.736 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 2294146994 QOTKRGZGCFSOJT-UHFFFAOYSA-N 684.315 7.736 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 2296025073 DGVHIHCBBBBCTK-UHFFFAOYSA-N 509.638 5.443 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C(C)=C(C#N)C2=O)cc1OC 2296854984 KBRWRPQLVOEEBD-UHFFFAOYSA-N 558.638 5.700 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2297534104 ZMAIZIUYTGZLQD-UHFFFAOYSA-N 585.354 5.428 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccccc1I 2299530334 KYSJFUUFNLEEQE-HXUWFJFHSA-N 558.051 7.117 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(Br)ccc2I)s1 2300952798 AJNOJKOYCJCMDI-JTQLQIEISA-N 618.297 6.858 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2cccs2)c(Br)cc1OCc1ccccc1C#N 2313540536 GPUATSFGHSPCGO-UHFFFAOYSA-N 508.397 5.193 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568106 RKQGYHWRCIEXKX-UHFFFAOYSA-N 625.317 5.745 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 2313568303 UEYZHCWNYRWRHS-UHFFFAOYSA-N 627.047 5.777 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 2314433886 WJQQTPCXGQDDKQ-UHFFFAOYSA-N 564.695 6.157 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314591754 CZTFWGJTLUNPHS-RUZDIDTESA-N 552.483 6.684 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592420 SYCLUDVRRBLGON-SANMLTNESA-N 550.511 7.490 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314617221 TXYAWUTUSPSZNS-UHFFFAOYSA-N 556.666 6.736 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314617312 VTYNTXWPSCQLOX-UHFFFAOYSA-N 512.537 5.214 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 2314617348 WODDOEGREJLFAO-UHFFFAOYSA-N 530.621 5.956 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314618348 LTQZBIUEOGDXAI-RUZDIDTESA-N 556.666 6.928 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640768 WUURJYHIFACZPM-HKBQPEDESA-N 569.444 7.409 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1OC 2314793673 XJBNJNJTPNHDFL-UHFFFAOYSA-N 519.667 7.031 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331390374 CQZRAKFFSQBLGA-UHFFFAOYSA-N 507.999 6.125 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OCC)c1OCC 2331391873 RDQIZXJYFKNQSZ-UHFFFAOYSA-N 515.031 6.927 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccccc1C 2331453617 MIGBLTVJZRARCZ-UHFFFAOYSA-N 508.687 8.458 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331472649 KNQLQJGOOIPMMV-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1c(Br)cccc1Br 2360417985 NFSNQCZJHJGQGT-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2scc(Br)c2Cl)c1Br 2365196239 KINVNHHEPRMSKJ-SNVBAGLBSA-N 568.350 7.490 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(I)c(Br)c2)c(Br)c1 2377286080 JFNNRPFTHROYQB-UHFFFAOYSA-N 595.294 6.897 50 10 KKGE O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1 6445822 JASJDTCBMZNUBV-XVAAYUMESA-N 549.958 7.560 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 9873788 BYPIYASFRZUNMT-DLBZAZTESA-N 505.453 5.254 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(=O)c1ccc(OC)cc1 33370679 QHSRPVFKMGOMGF-RGEXLXHISA-N 510.468 5.878 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 35446853 HWPXLJGNADIFEV-IMRQLAEWSA-N 518.038 6.710 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518437 MTVGIMACEVKHLP-LICLKQGHSA-N 500.919 6.592 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 38608051 SZDRKVMGURURGG-TURZUDJPSA-N 520.633 6.253 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100177689 UULGJQKTYTXKLV-LLVKDONJSA-N 524.626 5.183 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 100233664 JHPCFGCTYMKEHG-POBUXNOSSA-N 575.887 6.053 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 100234741 LLNUWCZAGONQPT-ZVDFNDOMSA-N 555.425 5.119 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100236903 IPSDUOGRDCGRPC-HIFRSBDPSA-N 542.268 5.027 50 10 KKGE CCOc1cc(/C=N/NC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc(Br)c1OCC 101007167 OBNBGLJEQCNSMI-DLEAAUTNSA-N 596.478 5.185 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 101022540 XHAIFYOZLHKVTN-UZWMFBFFSA-N 545.693 7.058 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243076 AZAZRLJPJOVCAZ-IDIAJVPVSA-N 550.511 6.859 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101368376 PPJWQKCMHAMSLS-SSEXGKCCSA-N 563.050 6.285 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 101368929 VNTIRFWBNVEUAB-VWLOTQADSA-N 535.394 5.277 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 101374147 FGSNJUWBGWVYNA-HHHXNRCGSA-N 529.549 5.610 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCCC(C)C 101375075 UCHJEEVFEQPVRZ-YTTGMZPUSA-N 570.686 6.982 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101375096 SWLGWDFPYUQVHL-WJOKGBTCSA-N 577.077 6.675 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)c(Cl)c(C)c5)ccc43)cc2)cc1 101378792 VYJHYUYSNWZVMW-YTTGMZPUSA-N 581.068 7.047 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385187 XKTWBKQBIFSFPZ-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385243 VIXISSGUDBQQFO-FFCRAILESA-N 579.052 7.073 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389343 CKJGQJQGAVYNKK-JGCGQSQUSA-N 584.575 6.145 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)oc2cc(Br)ccc12 101390189 GPEBFWMOYZCINR-AREMUKBSSA-N 557.444 7.239 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101395083 UARYTNCMCFNWHN-MUUNZHRXSA-N 543.019 7.319 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399985 WMFURHJSTYDMGO-MGBGTMOVSA-N 618.661 7.912 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5Br)c(C)c43)coc2c1 101620298 RNIVXTALBWJIPR-NJZRLIGZSA-N 548.437 6.365 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1)c1nc2ncc(Br)cc2[nH]1 101651754 XQYBPJFASMXQTI-YHYXMXQVSA-N 514.133 5.505 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 102849690 GCUZYDFIIDHKHT-ICFOKQHNSA-N 531.366 5.194 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 102933835 SZXWMUFBXDRFRH-YVLHZVERSA-N 589.773 5.986 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)cc1COc1ccccc1Cl 103563246 XNBKJFBRENSKJY-FABQOPTDSA-N 572.061 6.326 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C(C)=O)c1C 103641721 DCWZMIYCTNYOPW-PXLXIMEGSA-N 519.692 7.584 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1 103877809 NELCYPMTXWGJPR-LGJNPRDNSA-N 530.749 6.034 50 10 KKGE N#CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 138024655 QLKXZNKNUBWTFP-UHFFFAOYSA-N 505.193 6.600 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433039 RRIFGGPADPZNGC-YTTGMZPUSA-N 696.381 7.936 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461163 UHARYMPLIWUHSC-GDLZYMKVSA-N 629.521 8.233 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1c(Cl)cccc1Cl 163276403 BWNFPTPRIWJCKZ-PMCRKUBMSA-N 666.221 7.099 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 169682096 VOXJHJRLIGNTTG-VQMPLJJOSA-N 644.722 9.986 50 10 KKGE CC[Si](CC)(CC)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1 196145451 ZWQDXQHXJZYMSN-QFIPXVFZSA-N 639.597 9.779 50 10 KKGE C[C@H]([C@@H]1CCC[C@H]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C 201335166 VSPUBGCATGQRGJ-BTZRARBUSA-N 562.559 9.793 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 205650793 WYJZCNWSUTUAJI-SEESRUPFSA-N 524.617 6.266 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214332091 BLGNNPHZFFOXLN-AWXAQXEGSA-N 544.611 5.910 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 215683885 FAGFLKDXAVYVFV-YLSALNBJSA-N 672.973 7.366 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1cc(Br)sc1Br 229518374 CALLEJLDTSJLMP-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE CCOc1cc(Br)c(C=NNC(=O)/C(=C\c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1OCC 252639690 YMOXTBHFOXDDEK-KMSXDAPGSA-N 596.478 5.185 50 10 KKGE N#C/C(=C/c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N=Cc2ccc3c(c2)OCO3)c1C#N 254387381 OHUVXITXCAMGOS-DZPAYBNISA-N 527.515 6.687 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 254399752 JFQNNTBEOSFQHY-UHFFFAOYSA-N 560.589 5.328 50 10 KKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)/C(=C/c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)c2)cc1C 254488560 LJXNQBBYQKIGSQ-KGKTVTGKSA-N 561.598 6.074 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1 254741320 XVQGACDUNNVYQE-LBUURLIUSA-N 680.353 6.011 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 254825988 RKERKRZNNNCYCL-LFMFQLHJSA-N 514.676 5.542 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)c1 254828212 HNAYYVBDQIHLHC-UHFFFAOYSA-N 548.690 8.291 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254868539 OANZZRUNEAPCCR-UHFFFAOYSA-N 522.601 6.281 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)n3)CC[C@@]1(C(Br)Br)[C@H]2Br 256018964 CKDJYEUJHHCDQS-QSICNLLCSA-N 882.950 8.330 50 10 KKGE CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@@H]23)n1 504666082 WBFXPSFPBVVGNJ-MXSMSXNCSA-N 563.193 5.652 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3csc(I)c3)c2O1 720029185 AEPLMWOXLQHYBE-WPPNPWJKSA-N 514.020 5.923 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1Br 725274274 LTOBETUJTUSJKF-UHFFFAOYSA-N 509.828 5.697 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 725422763 HSXPWXFXGMIAML-QHCPKHFHSA-N 511.416 5.309 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1 1083962655 YRSGEQOXRFDECX-CXUHLZMHSA-N 566.666 7.543 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(O)(c1ccccc1)c1ccccc1 1084170571 BOGPTFNPJKNBAV-UHFFFAOYSA-N 505.401 5.959 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)c1 1084209135 MDKLOFAQHLBIML-UHFFFAOYSA-N 514.651 5.300 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084239665 KFYFAKPVTBXXRJ-UHFFFAOYSA-N 590.771 5.869 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084448649 RJYFRIMCGNUGRZ-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE COC(=O)c1cccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1C 1084607018 VSQMFPWEOILFRB-UHFFFAOYSA-N 517.585 6.572 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 1084613169 ULRKVBZFPBUFNP-DEOSSOPVSA-N 536.426 5.262 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084618375 VOQFDABQSXKAJL-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1O 1084648979 VQPRQNVZQWLCKX-UHFFFAOYSA-N 548.064 5.904 50 10 KKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@@]32C)[C@@]1(C)CCC(=O)O 1534688730 FQGZRIVWYITDFN-LQLMARKUSA-N 680.876 5.263 50 10 KKGE FC(F)(F)c1ccc(Br)c(SSc2cc(C(F)(F)F)ccc2Br)c1 1613969716 JGSADNHQHNVHIW-UHFFFAOYSA-N 512.132 8.049 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746431 CKSNRVGGFDZNCC-UHFFFAOYSA-N 514.460 5.167 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684264 OZGVVSCUSMRRHN-IBGZPJMESA-N 504.215 5.781 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865690927 FCTUWXOIJNSJKN-OAQYLSRUSA-N 529.822 5.612 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865696508 GPRNLKOPNJNSOB-NDEPHWFRSA-N 571.077 6.666 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865697073 WFCLUILRHNVGHU-QFIPXVFZSA-N 512.532 6.077 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865697667 YWVFDVUFGYWBJB-XMMPIXPASA-N 534.538 6.450 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865700648 AFRLRHKLLGKVCZ-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701846 GQHPLKKLBAPZOZ-JOCHJYFZSA-N 551.803 6.321 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703053 LTBHEIBLACDIBQ-NDEPHWFRSA-N 520.633 6.320 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703309 SUWXPDMDDMVVIS-MHZLTWQESA-N 545.470 6.988 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707476 XSKRPNZPIDNLQG-PMERELPUSA-N 517.677 6.437 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865711943 LTLAOHRMANALPR-LJQANCHMSA-N 555.340 5.501 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712209 SGSJDVAZIWJAEV-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867117622 SNSUOOGTVCJGSZ-LITSAYRRSA-N 557.622 6.132 50 10 KKGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867205370 HRQPOELUWMZXOK-DEOSSOPVSA-N 544.702 5.184 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)n2)cc1 1868320285 GQGODKJOYGIMGG-SANMLTNESA-N 518.646 5.715 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1OC 1872750045 UMUTWKYZLCKCPX-OLUGBCFNSA-N 503.624 5.328 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782913 WVDIVZOIYGVWJB-VXLYETTFSA-N 508.386 7.668 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793397 XTLOPCIXEQNDKI-XIEYBQDHSA-N 521.041 8.899 50 10 KKGE Cc1cc(F)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924584663 AWEDBYROTLRTTM-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924594227 LUTUVJBLBUAASW-ZETCQYMHSA-N 558.742 7.827 50 10 KKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982457972 QCJSVIREQCTJOU-IBGZPJMESA-N 502.088 6.387 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2016553505 UUVHYWLHXNBSBS-OWTNSLFHSA-N 505.895 6.374 50 10 KKGE CC(F)(F)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781130 CUIAXZCTALMTKL-ZCFIWIBFSA-N 520.231 7.062 50 10 KKGE C[C@@H]1C[C@@]1(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025784369 UOHFLQZBCNQXRL-ZEONFMBXSA-N 514.252 6.765 50 10 KKGE Cc1cc([C@H](Cl)c2cc(Br)sc2Br)ccc1I 2026133218 RMZWARKIGJFTNN-NSHDSACASA-N 506.428 6.514 50 10 KKGE CC[C@@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034340160 VMFHFCVKRQLDBX-SSDOTTSWSA-N 502.830 5.401 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(I)sn2)cc1Br 2082783615 UEUZJHSJDPQCAV-NSHDSACASA-N 506.960 5.142 50 10 KKGE FC(F)(F)c1sccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2101414209 PZOVMDBXBWHRNW-ZCFIWIBFSA-N 519.427 7.444 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 2141469213 SVIGDJUKVZQNPE-SFHVURJKSA-N 668.843 8.800 50 10 KKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141472284 BUTVJEFHPBNLOA-VHSXEESVSA-N 588.704 7.218 50 10 KKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(I)ccc1Br 2146718807 KAHBFZCBMRMKHQ-QMTHXVAHSA-N 515.027 5.127 50 10 KKGE CCCN(c1c(CBr)ccc(Br)c1Cl)C1CCN(Cc2ccccc2)CC1 2154375415 HNAFOFAXGGJXMO-UHFFFAOYSA-N 514.733 6.878 50 10 KKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1cc(I)ccc1Br 2163745854 MFVBPLMUEBVNQR-GHMZBOCLSA-N 515.027 5.127 50 10 KKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398918 AEUAMPAGSIYNPR-NSHDSACASA-N 615.154 8.013 50 10 KKGE CC[C@@H](C)c1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2207270823 DKWFZYBQJBPHBA-PIGZYNQJSA-N 508.035 7.052 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c(C)c1Cl 2217614117 VHABKFSALLPTAD-IBGZPJMESA-N 500.683 7.844 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c(Cl)c1Cl 2217617518 HMJJEPZFUDKCJS-MRXNPFEDSA-N 541.519 8.534 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232515066 YHBIOYUFQIPKCR-LLVKDONJSA-N 528.801 7.481 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c1Br 2240916033 LEDYQFGJEZOBRK-AWEZNQCLSA-N 501.871 7.506 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)cs2)c1 2252830291 PQWNCJAZTKZKOG-NSHDSACASA-N 503.879 6.714 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc2sc(Br)cc2s1 2263559570 LKDDPVNTPYNQLP-SNVBAGLBSA-N 507.519 7.640 50 10 KKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2295275203 SKDVNGDJPYPOTE-HNNXBMFYSA-N 525.904 7.270 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(=O)OCCOC)c1C 2296789979 GMEKINSHOGCGAE-UHFFFAOYSA-N 542.595 5.045 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc(Br)c(Br)s2)c1 2299534366 CPZLQZYNCKZUOH-KRWDZBQOSA-N 595.976 8.099 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567921 PRTNQQUAEYADKZ-UHFFFAOYSA-N 594.409 5.034 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@@H](CC)C2 2314571768 LQUJXMUKJUYITQ-OAHLLOKOSA-N 554.024 6.807 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314619106 ZULXRSBZAOUCNZ-MHZLTWQESA-N 590.683 7.472 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2317958475 ZFQCGKZIFJRFBQ-SFHVURJKSA-N 502.655 7.236 50 10 KKGE CC(C)C[C@@H](CBr)COc1c(I)cc(Cl)cc1I 2328547733 NFZQNIOYFGSHLA-VIFPVBQESA-N 557.435 5.985 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 2331259331 QAWAAPRNJACTSW-ZDUSSCGKSA-N 505.821 6.803 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331305413 ZYEOBHGSKMMAOT-UHFFFAOYSA-N 515.034 7.947 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331396470 CTKMARHYVKEKEI-UHFFFAOYSA-N 516.450 6.646 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2331456616 LCQCCHNMMKNGGZ-UHFFFAOYSA-N 511.485 7.948 50 10 KKGE Cc1cc(Cl)cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230500 QPHXAKCWBJVVTA-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362256234 UONMNQUOLLKEBW-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 38608033 CKZIJGUBCZISMB-OVVQPSECSA-N 520.633 6.171 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813427 FLXWPZCFZUJUAS-XHLNEMQHSA-N 517.925 5.992 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2)cc1OC 40970766 ZVUBYKMQHVTYMD-RDAMZKNSSA-N 504.627 6.096 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 58887987 AVODFVBWMOBEJX-LLLIGWKVSA-N 507.030 6.010 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N 59335603 DGYMGWHWJKSALX-UUYOSTAYSA-N 516.395 6.153 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1OC(C)C 97914796 OBWOFQVEFWOUFY-UMFKEYKBSA-N 519.126 6.176 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914986 IEIJAQPIGMMTSE-NDEPHWFRSA-N 519.126 6.322 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100154427 HDRZGWUCUAFRIG-UHFFFAOYSA-N 540.513 5.837 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 100236197 DCGRPDKJIQONRI-ZSYYNXLFSA-N 600.466 5.698 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245313 RSAZBSOEMAXQTB-DBTLDAOKSA-N 536.484 6.984 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 101333525 UMVLPGUSIBTEQV-NLRVBDNBSA-N 508.622 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101339491 VLYCHGDMATZCGI-FMFFXOCNSA-N 625.128 7.873 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(C)C)c(OC)c1 101374414 AMLZACOVTXWMIF-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 101374483 FLIOQSJKKNHTDM-PMERELPUSA-N 546.595 5.996 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 101378096 BYSSXIXYEQMRMX-JPQMRUPTSA-N 554.687 7.189 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380675 GRNGQDWHZSSMBR-SSEXGKCCSA-N 591.422 6.914 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5C)ccc43)c2)cc1 101382333 JCPQWHQBYIUYFO-MGBGTMOVSA-N 546.623 6.393 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385618 GZJSGNNYJUDDQR-JGCGQSQUSA-N 599.039 6.139 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386408 MTHNZIAOWLDNAR-GSTQUKTASA-N 611.094 7.081 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603209 BXCTUJQJPDZDDQ-STBIYBPSSA-N 520.800 6.280 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(C)c1 101727594 YSCVOYSGLZEGSU-FJEPWZHXSA-N 552.121 6.992 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 102665846 JSDHYVNETDFYQO-UDXHRHDRSA-N 528.848 6.712 50 10 KKGE CCOP(=O)(OCC)/C(C#N)=C(\SCn1oc2ccc(Cl)cc2c1=O)SCn1c(=O)oc2cc(Cl)ccc21 103626660 VBHRGVWIRNWCFY-XDOYNYLZSA-N 616.441 6.850 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 150430542 WLUZBLDHWADBCI-GFTMIHTRSA-N 627.306 6.540 50 10 KKGE CCCOc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 161124778 QCADOWPMXNMZLK-MRXNPFEDSA-N 541.903 7.247 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 164620251 HUPWTVKXQTWQCV-ODNPBWNPSA-N 722.275 9.083 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1 164631244 DTIHQAJJNAKRJB-FDALDRLYSA-N 734.432 8.561 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2c(c1)OCO2 164706449 ZPYJPDMBJBOALS-OEAKJJBVSA-N 637.474 5.253 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 206700996 ZTCGXGPGXICAQV-XLNRJJMWSA-N 518.635 6.633 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 207824747 RALYOFHHSKCHRY-YJVZPEIRSA-N 662.852 7.227 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 214232916 FTAISXVXVPGNBV-JLPGSUDCSA-N 508.578 5.093 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c1 214299068 XKUWWVFZPKNMFO-DIBXZPPDSA-N 524.621 5.347 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(I)c(OC)c(OC)c2)cc1 254381867 RFTSKIGJOMYSAG-OEEXSJMKSA-N 660.940 5.729 50 10 KKGE COc1ccc(CC(=O)Nc2cccc(C(C)=NNC(=O)c3cc(-c4ccc(OC(C)C)cc4)nc4ccccc34)c2)cc1 254595315 YLUXWACNWCMZNV-UHFFFAOYSA-N 586.692 7.033 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 256018376 FQSAMRIWYYWKTA-JEMYOPGDSA-N 507.550 6.432 50 10 KKGE CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(/C=C\[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@H]2Br 585680739 KCHBNJFXKOPVID-MGKGQBNNSA-N 616.026 6.115 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(Br)c1 707832368 XZTGUNREXYDQOH-SNVBAGLBSA-N 519.878 6.529 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c(C)c1 725413272 IFWFULPIEYEFBN-UHFFFAOYSA-N 580.979 8.183 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OCc1ccc(Cl)cc1Cl 1083903928 YIHQZGGCTJAAGD-UHFFFAOYSA-N 598.512 6.076 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cccs1 1083917601 HVGPJZVVRYDIMA-UHFFFAOYSA-N 573.104 6.379 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1083953749 GMDMEEQFAIEDFT-UHFFFAOYSA-N 644.389 5.965 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084038150 HRPDZYATXGFFMB-QFIPXVFZSA-N 590.268 5.453 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 1084163517 IPIRRINABDJXML-NRFANRHFSA-N 684.268 5.167 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084164881 WMDFRLQTHMOLAW-HSZRJFAPSA-N 627.306 6.540 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084257395 INLDRMNVPVVGHL-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OCC 1084375895 LLBDYTLXYHHMBF-UHFFFAOYSA-N 583.732 5.116 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1 1084398030 AKHJEYAFDPDOLK-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1 1084425132 RISPPLNXDJJNLD-PXLXIMEGSA-N 566.883 5.946 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CCSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084440864 PIRVOZWEMOHAOG-FSGGQHMVSA-N 527.690 6.553 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084462016 KAQVNZDGPQETPM-KGENOOAVSA-N 646.298 6.028 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)N1CCN(c2ccccc2)CC1 1084495556 RNPFWROEHNTGRX-CJLVFECKSA-N 520.402 5.423 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1084584501 FXSYPUPWAXGQJC-RGVLZGJSSA-N 552.831 6.568 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)c2cccc(Cl)c2)cc1 1084653181 AWWDQWZHCAMKSS-UHFFFAOYSA-N 527.433 5.196 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747217 MBKADAHXKXDYIN-UHFFFAOYSA-N 550.634 5.827 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750199 XBWHDGIMRGDPAR-UHFFFAOYSA-N 526.420 5.329 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1O 1772753725 FISIKDZECAEXMY-UHFFFAOYSA-N 505.453 5.796 50 10 KKGE Cc1ccc(OCCCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 1772755578 MTWIQZJCEQUJJR-UHFFFAOYSA-N 504.428 6.070 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@H](O[C@H]1CC[C@@H](N(C)C)[C@@H](C)O1)[C@H](C)C2 1848433218 ZFKWIQIRGQWRDP-CYVCTFEWSA-N 957.329 5.512 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865687396 QITPFDAZRXRTHL-DEOSSOPVSA-N 566.967 6.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(Br)c1O 1865688666 YCEKAJCVSRQWRU-INIZCTEOSA-N 555.738 5.629 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865689918 GKRAPTJLRROROB-AREMUKBSSA-N 511.025 6.980 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690512 TVYMZRBCOGLOHB-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865695890 IULVUIOAGDSPHL-NRFANRHFSA-N 577.401 6.449 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696473 NOWPDOFKGTZSKH-SANMLTNESA-N 565.427 6.387 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697593 XKQDWEAXSNDHIY-XMMPIXPASA-N 551.485 5.889 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703719 CWEQRMKCTQHZNS-SANMLTNESA-N 527.024 6.419 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704781 DMJHSZFVVDMLMM-NDEPHWFRSA-N 573.068 6.791 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705275 QHNUCZVPFRPRAC-NDEPHWFRSA-N 571.593 5.389 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705986 LGKFLDSJYDWUJM-HHHXNRCGSA-N 541.051 6.261 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706232 QVYZBOZDNCZDES-DEOSSOPVSA-N 532.959 5.332 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987973 GUUCFWBWVUQOMH-DQEYMECFSA-N 506.027 5.479 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867052388 CMLJWIKMKRCNHH-XMMPIXPASA-N 531.638 5.216 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867065111 GRWDRMQEKQVLJY-DEOSSOPVSA-N 548.640 5.960 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4cccc(Cl)c4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456484 PUMUSIRADUNXER-UHFFFAOYSA-N 545.087 6.618 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4ccccc4s3)n2)c1 1868505530 HNVJMPFAHOKCCQ-DEOSSOPVSA-N 536.686 7.420 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1C 1868564488 BOJUFXNPUVDCJO-DEOSSOPVSA-N 522.634 6.024 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872750844 MNZKSEJXFSAOGW-LNVKXUELSA-N 516.579 5.885 50 10 KKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872754173 GOBHWISJAUQMMN-VFFXKLFPSA-N 503.407 7.039 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 1872793153 KYUIRMSPRDZFIQ-XIEYBQDHSA-N 507.703 8.207 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1Cl 1924589431 BWJWGTBOJODCQZ-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC[C@@H]2CCCCO2)c1Br 1924591718 TWDSLLUDEQMRHP-JGVFFNPUSA-N 525.926 6.821 50 10 KKGE FC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924602018 QSPBECZXFDIIAR-SECBINFHSA-N 513.398 7.383 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 1924614612 POSHGWGAIALWBJ-JXOAFFINSA-N 507.911 6.908 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1scc(Br)c1Br 1925623113 SGCWLKLRTLJGFC-YFKPBYRVSA-N 520.320 7.732 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1csc(Br)c1Br 2024292549 KFOTXUNYVZEVDG-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE O=C(c1ccc(Br)cc1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 2026217882 NUMRDQWDPYVVHA-SFHVURJKSA-N 518.620 5.714 50 10 KKGE COc1sc([C@H](Br)c2cc(Cl)ccc2I)cc1Br 2034629946 RMVAYMLSOVDEKY-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 2037828935 IJMRDYPPTYGLEY-VBNWVBDPSA-N 632.815 6.029 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C=C(C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)c1 2053622414 XNUGVYKXABYGAA-UHFFFAOYSA-N 527.621 5.991 50 10 KKGE Fc1cccc(C(F)(F)F)c1-n1nc(CBr)c(I)c1C(F)(F)F 2079260779 OJKOJPVDLAYBEG-UHFFFAOYSA-N 516.980 5.549 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2080751007 ICLDONXQGZEXEU-GVICWXJLSA-N 593.713 6.671 50 10 KKGE C[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)[C@H](C)[C@@H](C)N1Cc1ccccc1 2098108037 AQSYDAUXSRWWBZ-ARFHVFGLSA-N 500.706 6.485 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2137654356 HZNGTUKDSYLOCP-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE C[C@@H]1Cc2cc([C@H](Cl)c3scc(Br)c3Br)cc(Br)c2O1 2146624199 YSENLSAILJKZFT-INWYIAFRSA-N 501.465 6.687 50 10 KKGE Brc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 2148749173 HCVXRHWNQQITNF-CYBMUJFWSA-N 539.912 7.673 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Cl 2163395906 KHZZZXCIYGEUII-HTRCEHHLSA-N 513.467 7.578 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC(C2CC2)C2CC2)c1Br 2206394877 JQWUUHWBWASXEQ-JTQLQIEISA-N 594.805 7.999 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232837191 QAFDODUCAIYWSX-INIZCTEOSA-N 510.007 6.163 50 10 KKGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CCCBr)C1 2234190704 HLJGIVFLMBOFMQ-NSHDSACASA-N 515.027 5.081 50 10 KKGE Clc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1Br 2248095732 GLNCGCUQXOIWJE-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1cccc(Br)c1 2288350318 YOFWYBZYRAYELT-SECBINFHSA-N 533.830 6.931 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 2294193034 JBCIUFOQRSAZOM-UHFFFAOYSA-N 572.506 8.682 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)Nc2ccccc2)c1C 2296789988 GXXMFOJXWFMVQA-UHFFFAOYSA-N 532.622 6.725 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2296939478 ICMFAUOZDZCEPW-JOCHJYFZSA-N 556.844 6.307 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458616 LKCILQMNBUCHRY-QHCPKHFHSA-N 508.430 5.736 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2297458634 NZEBUJYTGQFTMY-JOCHJYFZSA-N 617.750 6.930 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2cc(Br)sc2Br)n1C 2300270859 BAFFFFSJRAZOFI-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 2313567411 GUQJPIRFKDTHGB-UHFFFAOYSA-N 560.673 7.298 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1cccc(Br)c1Br 2314491233 QMVYJIKNTTVNRU-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592110 MBZSDEXOMTZLOB-RUZDIDTESA-N 517.582 5.298 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314618243 KCZRDQUBWKLNKP-LADGPHEKSA-N 554.650 6.525 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314640661 IPEFZRIRWROCSI-SANMLTNESA-N 507.373 6.229 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643087 BBUSKGFODONFHK-DHUJRADRSA-N 572.661 7.118 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 2314643199 HRBPUYZOOIBHOK-MGBGTMOVSA-N 579.052 7.155 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 2314643342 UMCPIYRWRUIEFU-JGCGQSQUSA-N 617.460 7.557 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1Cl 2331397732 ZIKPDWCQTOCWMP-UHFFFAOYSA-N 502.206 7.391 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 2333303570 KFOPZFFQRAUYCS-UPVAVPFISA-N 582.750 6.455 50 10 KKGE Clc1ccc(CO[C@H](CI)c2cccc(Br)c2)c(I)c1 2365644937 JLBXHBPBIOXFME-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE CN(Cc1c(Br)cccc1Br)c1cccc(Br)c1CBr 2366159442 APCMEDXQGRYLDW-UHFFFAOYSA-N 526.892 6.505 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Cl)ccc2I)c1 2366889715 XHDIWIBIYQIHFR-AWEZNQCLSA-N 504.420 7.320 50 10 KKGE Cc1cccc([C@H](CBr)OCc2cc(I)ccc2Br)c1 2367600990 IOAPLDLRHSQUAD-INIZCTEOSA-N 510.007 6.015 50 10 KKGE COCc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2368081594 HGRJMUWWFYZUAK-LLVKDONJSA-N 507.444 6.696 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2860160 MIBCBESNHBRJSQ-VCHYOVAHSA-N 541.785 5.934 50 10 KKGE Cc1cc(C(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c(C)n1-c1cccc(C(F)(F)F)c1 33744592 YCFBOIKLOYGYSI-HMAPJEAMSA-N 505.515 7.449 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 33939648 PJPURMRDAYHVKB-XSFVSMFZSA-N 512.543 6.096 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38650689 NTNQFSKQNNAVPK-GDLZYMKVSA-N 512.606 5.975 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)cc2)cc1 38650820 MRSQWSYXERXLLI-PMERELPUSA-N 526.633 6.872 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38681195 MPXFERFUCDRMMW-HHHXNRCGSA-N 502.954 5.280 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 40530369 OIPNZHXMODKMST-HSZRJFAPSA-N 511.361 5.838 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814501 PGMNCUIJUXHZOT-JVWAILMASA-N 508.328 5.181 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)cc1OC 40853810 TXZKFFUPNHWPGA-RCCKNPSSSA-N 503.551 5.784 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 58891375 VBXLOKLLJAGKFI-SLLOZXFSSA-N 501.410 5.935 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc2ccccc12 58892292 JSZAFHNNJNXHHV-PPRQNECJSA-N 522.645 6.510 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58988678 OXPWSSCSBBDETO-MWAVMZGNSA-N 512.683 5.141 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1cccc2ccccc12 59475512 KGVBZNQZCZUFGX-IUUQDGFPSA-N 505.047 5.514 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 59485103 ZXXWWKHGVDZUME-YBFXNURJSA-N 511.803 6.544 50 10 KKGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 96504303 LWOQKSBHEKKSOI-GDNBJRDFSA-N 515.374 5.996 50 10 KKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100443065 WFNJFXCPLWBIPD-UHFFFAOYSA-N 521.746 7.699 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 100452098 QEWHZZRJTYURGA-MGCJZSHXSA-N 536.253 6.299 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 100553834 YSPVXIYTLPBXDC-KBVAKVRCSA-N 562.851 6.698 50 10 KKGE Cc1ccc(-c2ccc([C@@H]3C(C#N)=C4Sc5ccccc5N4C(N)=C3c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 101036762 LPKOVQHSUMFHSY-SANMLTNESA-N 561.648 7.545 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243127 LFQWMIWTRSOLCQ-ZBLJKLLZSA-N 584.063 7.225 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 101339739 GVJOGFLUAXEJOM-RDRPBHBLSA-N 586.648 6.239 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367428 JMXGNGUEZSKSNN-YTTGMZPUSA-N 562.622 6.499 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101372182 BDXZJHZXIIHMBJ-HKBQPEDESA-N 558.631 5.865 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380354 VLJVVFPELSWJNJ-WJOKGBTCSA-N 550.586 6.629 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389331 UPGMURXDPRKNIB-JGCGQSQUSA-N 566.585 6.006 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)oc2c1C 101391369 KKXUUXRGKDSUQS-XMMPIXPASA-N 529.390 6.558 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1 101392942 BJQCKHCPMXRLCN-JGCGQSQUSA-N 607.062 7.728 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 101619725 BYRIGZQTYYTGCZ-IWBSIUBASA-N 541.604 5.779 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 103733987 PUQLWNOTHZIONI-VBMGMRCRSA-N 548.599 5.367 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118920984 ZODHPXNJFNZLJV-SFRJMERHSA-N 597.722 9.946 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430356 SOSBPHGIWGGMRW-JGCGQSQUSA-N 643.092 6.781 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 150498654 WKNNUDGYUSUZIZ-VFLNYLIXSA-N 654.008 5.105 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1CCCCCCC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 205145845 DXVSMWCKXOCOJF-VYFBLUGDSA-N 680.990 10.184 50 10 KKGE in-vitro CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214305235 DVOOXSXYLSRARH-BRPDVVIDSA-N 552.675 6.126 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c1 232482803 JHVIHGZUHLRDKR-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE CCOc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(Br)c1 233802404 BNCCVGMXDGSTIO-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(Br)ccc1Br 236030408 SHYWFVWQDDOKCG-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE CC[C@H](C)c1ccc(-c2cc(C(=O)NN=Cc3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)cc1 254445571 AEAAEFBOPVXNDJ-DEOSSOPVSA-N 566.702 5.899 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 254772051 RUOATYRSOXJRQD-UHFFFAOYSA-N 635.562 8.074 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C/c3ccccc3)nnc2-c2ccccc2)cc1 254866241 CAFFUOLNXXBYED-XZGCYHPKSA-N 562.493 5.963 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 606508753 HAYVDHBKYABBBI-KJTNISMZSA-N 645.174 11.764 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585695 FAGFLKDXAVYVFV-KUDLYRENSA-N 672.973 7.366 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)cc1F 721608166 DYPLNAXBYFFGBP-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 1083902874 RCKXHIZBKACPDC-ROUUACIJSA-N 559.544 6.255 50 10 KKGE COc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084037552 MQFPUSYHHYQSQX-UHFFFAOYSA-N 602.765 7.380 50 10 KKGE CCc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1084231367 HFQGVZCRWAHEME-UHFFFAOYSA-N 500.646 7.187 50 10 KKGE Cc1nc2ccccn2c1C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 1084267725 OFWAHBXHFBGKRO-UHFFFAOYSA-N 538.405 5.239 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1084517818 SEUGHXQPXWULAI-SANMLTNESA-N 517.582 5.265 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(C)c1 1084622766 UBHKNJNKNDPGHU-MUUNZHRXSA-N 516.638 5.674 50 10 KKGE O=C(N/N=C1\c2ccccc2C[C@H]1NC(=O)c1ccccc1C(F)(F)F)Nc1cccc(OC(F)(F)F)c1 1614970653 DFJMTGNYRWXXGL-BYKCTFOVSA-N 536.432 5.485 50 10 KKGE CC(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 1772752454 OMMXWSOUAQBWIN-UHFFFAOYSA-N 540.845 5.672 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865682532 QVYUAWBMDDJUST-NRFANRHFSA-N 525.798 6.916 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689747 DQXPAOWWIBMZDX-LJAQVGFWSA-N 528.587 6.535 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865691797 BEQLZFCQTRDHFF-QGZVFWFLSA-N 541.313 5.442 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)c(Cl)c1 1865692817 JBACGWWMDUUACB-QFIPXVFZSA-N 513.425 6.147 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694326 WRSATDMDWFUOMQ-HKBQPEDESA-N 554.650 6.713 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694917 FNYDLUNKJWXXPS-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OC 1865696004 BEEBEXAYPYGJME-NDEPHWFRSA-N 571.077 6.666 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1O 1865697035 VAPFGIVOBWLWHE-MRXNPFEDSA-N 555.738 5.298 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865697702 ZUYDHMUOHQXMPE-DEOSSOPVSA-N 575.438 6.125 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700724 BZGOOSNOAWWDNP-RUZDIDTESA-N 551.861 7.192 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701205 OXJFFJKEYFUPIP-SFHVURJKSA-N 544.247 5.655 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702796 FLPKRDGQCHGSQW-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703123 NJALZIPAOMOOSN-NDEPHWFRSA-N 575.496 7.327 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705315 RUJYHIAJZBSYNY-VWLOTQADSA-N 526.980 5.534 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707076 NCUMIZAFXAEAGH-JOCHJYFZSA-N 535.387 5.787 50 10 KKGE CC[C@](C)(NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866855050 ZMOLYNDKYJYDNQ-VWLOTQADSA-N 528.465 5.778 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867048446 BRNBYSNXERLDNN-AREMUKBSSA-N 558.754 6.373 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)CC2 1868364670 CYKVRRZYMWCMQI-YTTGMZPUSA-N 541.680 7.621 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873795542 PINGVMVOZJSTPS-UXHLAJHPSA-N 501.599 5.339 50 10 KKGE Brc1sc(Br)c([C@H](Br)Cc2ccccc2I)c1Br 1924612348 AVDCAAZMEGUUJM-SSDOTTSWSA-N 629.775 7.319 50 10 KKGE CCCC[C@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493457 CCDKIAKQQIKFDW-WRWORJQWSA-N 570.783 7.999 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1COCCO1 2085495436 KUYFMAJCDMMGFQ-RDDDGLTNSA-N 528.260 5.432 50 10 KKGE COc1cc2c(cc1Br)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2137602418 FAPOOTSPPKKXQV-UHFFFAOYSA-N 526.906 6.681 50 10 KKGE Brc1cc([C@H](Br)Cc2ccccc2I)cc2c1OCC2 2146626071 LQWPZQOJCKQZSY-CYBMUJFWSA-N 507.991 5.667 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c(F)c1F 2148755541 ZHVYDMDYNSZVIY-NSHDSACASA-N 537.793 6.876 50 10 KKGE Brc1sc(Br)c([C@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2168660402 HTEQLSYDDOFMJF-SECBINFHSA-N 545.916 6.649 50 10 KKGE CC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2184815214 WCXDAUGWDXBYCS-SNVBAGLBSA-N 509.435 7.476 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2203433553 QHOMDAORPRCXAK-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(Br)cc1I 2207269763 WHAPXNGXCDBTMA-QWRGUYRKSA-N 515.027 5.127 50 10 KKGE FC1(F)CC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2212201245 VCRJPZADPAWETC-NOWQDGDBSA-N 503.826 6.312 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(C)c(I)c2)s1 2217865032 AUISCVMRMGUUAK-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(F)c(Br)cc2F)c1 2232219805 KCCYXOSPKAOVAZ-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1I 2235615637 TYFDRALZUUTJPQ-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE O=C(Nc1ccccc1CCBr)c1ccc(Br)cc1I 2238842487 AVFFXIHPDGFWOE-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2283584067 PBGQJOZSUMIEKW-LLVKDONJSA-N 545.256 7.996 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198264 OLDABUQTMXZXCX-QFIPXVFZSA-N 512.418 5.638 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 2294175209 AYASOWCGHRIHRW-UHFFFAOYSA-N 526.036 6.559 50 10 KKGE CS(=O)(=O)c1csc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295276210 CPTXBELEYVEHDT-GFCCVEGCSA-N 503.075 5.355 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@H](C)C2 2296500298 BYMQSYQYLZIXNE-AWEZNQCLSA-N 529.445 7.162 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(Cl)c2)o1 2297456650 DWOFXUKXDNLMTL-UHFFFAOYSA-N 581.875 7.813 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2297458618 LOOQDFPMLDPKQA-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)c1nc2ccccc2s1 2297476810 LZTOVDCDQNCQSH-UHFFFAOYSA-N 500.535 6.839 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4cc(Cl)ccc4C)c3C)sc3c2CCCC3)cc1 2313545963 SBEPDNAWDNHISC-UHFFFAOYSA-N 583.157 8.103 50 10 KKGE Cc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3C)o2)ccc1Br 2313549214 QBPCDHHNZKZBFC-UHFFFAOYSA-N 500.190 6.634 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Br)cc1 2313567457 HSQAWUYIGPGUGT-UHFFFAOYSA-N 517.423 6.619 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2313567734 NPKDXKXPUSEUDD-UHFFFAOYSA-N 556.877 6.490 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccc(Br)cc1 2313630675 DMDYNWPITHHKKF-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314489439 PTJOKGYEBLDXLX-UHFFFAOYSA-N 570.251 8.310 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592250 OYYPIRBBPLBJEN-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 2314617786 ASWYVYGBGBQEPK-UHFFFAOYSA-N 532.600 6.022 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)n1 2331322970 OOPLULHQBQUKPV-UHFFFAOYSA-N 521.598 6.494 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2338025952 ARVWVSFAOOBZMY-ZDUSSCGKSA-N 531.933 7.472 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(F)c1I 2338028186 SEQCYTZLESMZMV-CYBMUJFWSA-N 518.027 6.691 50 10 KKGE BrC[C@H](Cc1ccc(I)c(Br)c1)c1ccc(Br)cc1 2349841683 KJAOQHWCCIHWPY-LBPRGKRZSA-N 558.877 6.537 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)ccc1Cl 2360493090 OTUQOJRUZNGIEX-NSHDSACASA-N 526.252 7.795 50 10 KKGE COc1ccc(C[C@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1 2364261398 PLAXRLRAGZPZRL-NSHDSACASA-N 503.481 6.875 50 10 KKGE Clc1ccc(CO[C@@H](CI)c2ccc(Br)cc2)c(I)c1 2365634871 ACUWZMBKMCTFGR-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE FC(F)(F)[C@H]1[C@@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2377324648 QTKKSHLCUJYXSF-JOYOIKCWSA-N 526.960 5.344 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13581599 FDZIQSNIVORCHG-ONDMRUQVSA-N 510.018 6.558 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1 38658145 LTNXNXJQMRWWFF-LJAQVGFWSA-N 510.590 6.258 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38660096 APHHDGZKPOHQMG-GDLZYMKVSA-N 514.578 5.385 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 58890013 POBQAXRKDPCLHV-HSMHNTNPSA-N 515.379 5.140 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1 59680094 SFBVBAAOKIQCEH-WKULSOCRSA-N 507.359 6.406 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1OC 97914600 RESHBRSADVUBDW-MHZLTWQESA-N 517.066 5.250 50 10 KKGE CC[C@H]1/C=C(\C)C[C@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 97977765 KASDHRXLYQOAKZ-VMRAVESQSA-N 810.466 5.719 50 10 KKGE Cc1ccc(-n2c([C@@H](C)N(CCC(C)C)C(=O)[C@H](Cl)c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1 100084187 UQQHKWNHOHUJFM-JIPXPUAJSA-N 536.503 7.263 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100236915 IPSDUOGRDCGRPC-DZGCQCFKSA-N 542.268 5.027 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 100243463 KTURKWQQMWPCRY-UHFFFAOYSA-N 584.536 5.083 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 101083792 OVXGWSXUDOSPMX-XQNSMLJCSA-N 525.593 7.788 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(Br)cc3)nc12 101115363 HLHRLVGGOXBXQO-VBKFSLOCSA-N 580.236 5.866 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101334935 BPIIXDDZZPBWCI-UXHLAJHPSA-N 542.639 6.367 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101338052 VPOAJWSCSRBAHI-AJBULDERSA-N 556.666 6.409 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362481 BSNOWRNLMCZCHD-MGBGTMOVSA-N 560.650 7.272 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 101367350 VENBZDGKFGSDTR-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1 101378111 AKNYNOLYTIOOML-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380001 GLZLZXJCYYZMGQ-MGBGTMOVSA-N 581.068 7.245 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387104 JLAVBBQHNGWSMS-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101389728 XFCOVVJPPHBLIN-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)oc2cc(Br)ccc12 101391925 VIMICGDUCYVCAW-QHCPKHFHSA-N 546.333 5.849 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 101393641 YMWSNTWTOMCWHV-SANMLTNESA-N 559.416 6.567 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(Cl)cc6c5C)ccc43)c2)cc1 101398271 HVAPXTXFRBBRGH-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399738 XRPCCRPNYPSHAO-YTTGMZPUSA-N 607.062 7.810 50 10 KKGE CCOc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc(Br)c1O 101440061 BTYHTVXYMOXAGI-MRXNPFEDSA-N 520.836 5.426 50 10 KKGE C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 102665527 BZTGLKAYNPXDMM-VWLVURMCSA-N 500.407 6.084 50 10 KKGE CCCCc1nc(N2CCCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 103116969 BYJKRAXBOIRVDG-AREMUKBSSA-N 535.067 5.624 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)ccc1OCc1ccccc1 103649414 IBSVTAKBSLHZII-XKZIYDEJSA-N 516.022 6.521 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 103880965 IEHQKTHRKILRNW-WVKHYPTHSA-N 604.537 9.256 50 10 KKGE Brc1cc([C@@H](Br)c2ccccc2I)c(Br)s1 109312362 CSYGOFPGQMJPMH-JTQLQIEISA-N 536.852 6.362 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 163310711 CPZKTWARXPJJSD-JEPNHJGPSA-N 629.498 6.597 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 214315365 NAWDYTQUMCTDSA-COEJQBHMSA-N 560.654 6.884 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1 214395206 WSQFAJMCYVXEMR-LRIZEKIPSA-N 656.742 8.073 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214407910 COQAIKYXXMBDHO-WGARJPEWSA-N 520.539 5.918 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)[C@@H](OC(=S)Oc3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1 217494267 QUXFYGIIXJYECI-MZONXJPGSA-N 776.077 8.261 50 10 KKGE in-vitro C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530967 NMSPCYRUGUNCPZ-OPMKTLGRSA-N 720.661 5.130 50 10 KKGE biogenic Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)n2-c2ccc(C)cc2)cc1 254554769 BLZHVACRXGVHPL-QPGKMSNZSA-N 546.494 6.181 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 254746865 LVKUHWOFZQVVPS-UHFFFAOYSA-N 575.112 8.259 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC#N 1083997976 GUUBFFUXHGSPNC-UHFFFAOYSA-N 504.590 5.856 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)O 1084090553 SFKGCOHVTRGHNH-UHFFFAOYSA-N 576.447 5.841 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 1084120634 XWEQWVQFTZSWSI-QFIPXVFZSA-N 519.798 5.785 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 1084176491 HCKHKMFQFYWRFP-RUZDIDTESA-N 570.871 5.916 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084196936 WXGXQWJKPJGZNK-UHFFFAOYSA-N 662.437 6.547 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CC(=O)N(CC)CC)c3ccccc32)cc1 1084300366 UWEZXGRKBAAOBC-UHFFFAOYSA-N 534.701 5.555 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1cc(Br)c(O)c(Br)c1 1084462077 NDSAIOLXGNMMJD-UHFFFAOYSA-N 529.279 5.550 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084624688 DAKUOEYGIJWGQJ-UHFFFAOYSA-N 556.018 5.903 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747385 OBAAOPPHFHDGCZ-UHFFFAOYSA-N 605.478 5.872 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683776 PIQFVLROKWKBHB-HSZRJFAPSA-N 504.924 5.757 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(Cl)c1 1865684304 WFZUILRLJWXMOU-NRFANRHFSA-N 503.787 6.173 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685364 HOYJFIFCOSSTOT-RUZDIDTESA-N 531.443 6.749 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865690961 FXVADYXDZWZNPK-QFIPXVFZSA-N 546.977 6.730 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703916 IRHNRVWRCZGMKT-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 1865705178 OECFZTNPAUFWTL-HSZRJFAPSA-N 564.495 5.535 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866995246 IYAARHAZFQSFPN-LSYYVWMOSA-N 563.745 6.073 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1868342776 ZKXLXBTVKHBDTQ-OAQYLSRUSA-N 524.488 6.431 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)c1 1872744006 DALUEFUFBOOTSB-JZJYNLBNSA-N 505.821 6.886 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1OCCC 1872790151 NUXPJYXEJIKJTN-OVVQPSECSA-N 524.686 8.339 50 10 KKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915755839 RYPDVALPHWEDEE-UHFFFAOYSA-N 506.609 5.714 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)n(C)n2)c1Br 1922931816 GHIXRLOABIBZLT-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE FC(F)(CC1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924571380 QTFNNHAGOSXJNJ-ZETCQYMHSA-N 517.853 6.907 50 10 KKGE CCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924583744 OMIMLWNWDRNCOL-VIFPVBQESA-N 509.927 7.442 50 10 KKGE CCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)o1 1924583948 RAPWSBVTYZABPT-MRVPVSSYSA-N 507.867 6.675 50 10 KKGE Brc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(Br)c1 1994124751 OPEHYHMEMVNGLK-GOSISDBHSA-N 517.080 7.336 50 10 KKGE C[C@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995047093 DQTUQUFOINPMIQ-PJPYAQQDSA-N 540.713 6.829 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)n1 2005278420 IWXQYARKDZJALX-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE FC1(F)CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2014278640 LOSOSGWXHBQNIQ-YFKPBYRVSA-N 517.853 6.907 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1F 2025779060 CDHPPBMDCXTPAK-CYUDJLOBSA-N 558.703 6.921 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 2026219542 XAZUOGLVZAHRNY-GOSISDBHSA-N 565.087 6.116 50 10 KKGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1Cl 2079243489 WXTOSBSWOZHFGW-UHFFFAOYSA-N 509.491 5.112 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 2112344608 NVVJZIBBVYECNY-VIFPVBQESA-N 515.826 7.295 50 10 KKGE Brc1cccc([C@H](Br)CCc2cc(Br)ccc2Br)c1 2118532749 SMNJVUWZTGPHJJ-CQSZACIVSA-N 511.877 7.043 50 10 KKGE Brc1scc([C@H](Br)c2ccc(Br)c3ccccc23)c1Br 2150345001 XVNNKFAJXXPOBW-CYBMUJFWSA-N 539.912 7.673 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(Cl)c1Cl 2203433143 MHLMSYWDZDNTCN-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCCO2)C1 2206397513 JXMBCSUULJODBX-OFBKNLNESA-N 552.326 6.976 50 10 KKGE CSc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206406157 VZROGXYVSYYNRQ-AWEZNQCLSA-N 564.362 7.787 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(F)c1I 2206570095 QABUZWZVTUXARL-CYBMUJFWSA-N 513.970 5.994 50 10 KKGE Cc1sc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1C 2221838798 UGGJOPOHDPLXMV-ZETCQYMHSA-N 513.929 7.743 50 10 KKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2248699549 HKYCLAFIMQHCLF-REBBBIQUSA-N 511.899 6.144 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(Br)c1Cl 2268258996 JBTPLEFTOJWTTA-JTQLQIEISA-N 509.872 7.026 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198211 JDUHCUFRBGUNBH-XMMPIXPASA-N 540.447 5.918 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198425 OCCIUYDZUSTTNG-JOCHJYFZSA-N 583.851 6.076 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 2296545499 WDBPURGIEYENEB-UHFFFAOYSA-N 500.942 5.393 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2297456588 DFZAYIJPYFHKLF-UHFFFAOYSA-N 530.447 6.621 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Br)cc2)cc1 2297458703 XBVJJXRSUSFIEQ-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE COC(=O)[C@]1(C)CC(=NNC(N)=O)[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]2CC[C@]13C 2297731182 UEHPPJREDWXIJQ-UNWXLAOLSA-N 581.798 6.447 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(Br)cc(Br)c2)s1 2300953977 QQAAWQIKDSBDSY-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(I)c1 2301797324 VXUBOGKEDGXYQC-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521511 SZSJZMGOJRSWNN-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571231 QJCIVMLREGXIOM-UHFFFAOYSA-N 537.186 7.333 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(F)c1 2313571463 WWVIYEQVXKYUFV-UHFFFAOYSA-N 597.211 6.870 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccccc2)cc1 2314432546 BVAZNSKIYGGUQM-UHFFFAOYSA-N 566.664 6.342 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl 2314475828 DAEWODPEWWLTPI-UHFFFAOYSA-N 504.011 6.238 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 2314486598 AANFZKOMJATPLE-UHFFFAOYSA-N 516.966 6.453 50 10 KKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2314531582 CNIFTYJGZYAKIZ-UHFFFAOYSA-N 511.752 5.993 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@H](CC)C2 2314572317 YMJFDDZKWIDVDF-HNNXBMFYSA-N 543.472 7.552 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591792 FAHVDKWIMFWWAZ-VWLOTQADSA-N 570.036 7.295 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592050 KTCFDSPBFDXOPN-VWLOTQADSA-N 536.484 6.929 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593379 MDGHTAOWJJHQAL-BCHFMIIMSA-N 565.617 6.408 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593827 UGEMBKWLQYEQDU-PIKZIKFNSA-N 525.674 6.122 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314618810 USWUUQOWOVMGHT-UHFFFAOYSA-N 571.681 6.686 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240170 BFNLMKVNCXATAL-UHFFFAOYSA-N 520.408 5.540 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311598 BJSCGZBPUZZRKF-UHFFFAOYSA-N 505.426 8.202 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1 2331348890 YTJYECAWHLSZKA-LBPRGKRZSA-N 500.805 6.967 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 2331397610 RGYHDQBQUUMTJL-UHFFFAOYSA-N 519.450 7.653 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331430394 PEBNBCKYQKGDPA-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1Br 2339674096 HWXJMAVBKZBGLJ-JTQLQIEISA-N 535.896 7.276 50 10 KKGE BrCc1ccc(OCc2c(Br)cccc2Br)cc1Br 2340637324 RHUVNAXSWJPBLX-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE C[C@@H]1CCC[C@@](CBr)(OCc2cc(I)ccc2Br)C1 2341857781 WINIFDVQMFDSTF-IAQYHMDHSA-N 502.028 5.914 50 10 KKGE Cc1cccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1I 2365186625 SCRIIQZOKSNRJS-LBPRGKRZSA-N 576.867 7.056 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2366798180 SGQKMXXZEULOGL-SECBINFHSA-N 542.345 8.302 50 10 KKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 6907001 USBKAJNMNWTZPI-BOPFTXTBSA-N 546.465 6.118 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650718 CGHSRUCRGQWSIB-OLILMLBXSA-N 512.606 6.190 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)oc2ccc(F)cc12 38688291 AYHQNIILKBQUOI-QHCPKHFHSA-N 509.320 6.625 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OC)cc3OC)c(C)c2c1 38688457 CFGKADQHORRUNH-HHHXNRCGSA-N 510.546 5.758 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 38700532 GBJWQDVAWLNJFN-MHZLTWQESA-N 510.546 5.976 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C)cc1 40947710 CFMCAIJHYXCKTE-JFLMPSFJSA-N 504.637 5.344 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 100156668 VOAVUPCQZDWTQP-MRXNPFEDSA-N 562.258 5.181 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C1 101014193 ICHWGOBIVMRYHR-COCMXYBASA-N 576.726 6.157 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246531 UXAPBMNPDIUEPE-TUJXDINHSA-N 515.610 6.023 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 101364873 RBUMHMPRQLRRGH-HSZRJFAPSA-N 546.204 5.958 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 101375621 HULGOEUBCSHHMB-JGCGQSQUSA-N 556.659 6.419 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 101395654 MCFLTJUQUQDGBQ-LOYHVIPDSA-N 556.615 5.618 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)oc2c1C 101398937 ASVWKQGIWGXISE-WJOKGBTCSA-N 625.508 8.681 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 101684570 DLBHTGCJURWMMU-HYARGMPZSA-N 549.421 5.542 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 101727199 AYXXCNHYPYLRAC-WKULSOCRSA-N 538.094 6.684 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1 101906082 BMMMQOZBKNAWSC-MFOYZWKCSA-N 576.672 6.998 50 10 KKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665934 FKMVNBCWJOQAKJ-SCIJIFGBSA-N 538.854 6.167 50 10 KKGE CCOc1ccccc1N/C(SCc1cccc(F)c1)=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 102738189 VSMJGKGADUKZHL-BYNJWEBRSA-N 535.641 5.681 50 10 KKGE COc1ccccc1NC(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(Br)cc2)c1C 103846524 FSYPCTHVUPZSKO-WYMPLXKRSA-N 520.225 5.783 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1 103865604 WLOWAQJVIHVFQE-XQNSMLJCSA-N 569.130 7.794 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 103888405 UWQNJKYPFPTQAI-MTJSOVHGSA-N 535.394 5.979 50 10 KKGE O=C[C@@H](c1ccc(-c2ccc([C@H](C=O)N(CCCl)CCCl)cc2)cc1)N(CCCl)CCCl 111444849 GFRHEOMWAJJZSF-ZEQRLZLVSA-N 518.312 5.393 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 150417676 YUWHZBWPKQFYAH-UHFFFAOYSA-N 690.801 5.761 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 150483379 GXEPPRKDQIBYQK-PMERELPUSA-N 635.931 8.452 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1 164614240 ACIRAXYVLKYOCA-SEBMTOOBSA-N 669.563 8.107 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 164623240 KYECNGRIMFTGNZ-HASSKWOGSA-N 652.545 7.686 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 164636574 CKEDCVIBLCZNDG-IPBVOBEMSA-N 644.090 7.450 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205668987 SVDULXIJCACVCY-JJTYUNECSA-N 562.597 6.559 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 214296926 GISKQEZQFBYYBQ-RRAHZORUSA-N 538.648 5.737 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214315617 ZYICXFRRRBMRHH-NTFVMDSBSA-N 546.627 6.268 50 10 KKGE CC(C)c1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(C(C)C)cc4)cc3)cc2)cc1 254340275 IYISWYGRVKWAAR-UHFFFAOYSA-N 508.756 10.234 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254392498 NWYOORNYDBBCER-UHFFFAOYSA-N 512.760 8.679 50 10 KKGE COC(=O)c1ccc(COc2ccccc2C(C)=NNC(=O)c2cccc(COc3ccc([N+](=O)[O-])cc3)c2)o1 254519755 PAWZVFHJOPMBTO-UHFFFAOYSA-N 543.532 5.286 50 10 KKGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)cc2)CC1 254793053 YQDLPAGUBQNLEY-UHFFFAOYSA-N 528.656 6.088 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2OC)cc1 254834929 NXYPYIMKHJBRIB-UHFFFAOYSA-N 538.600 5.899 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nnc2-c2ccccc2)cc1 263627655 WWVRFQQSZBEKCU-INGPAJSMSA-N 518.042 5.807 50 10 KKGE N#Cc1cc(CCl)ccc1Oc1c(I)cc(Cl)cc1I 312451295 ONZMPGASCZURIC-UHFFFAOYSA-N 529.930 5.952 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(I)cc2c1OCC2 379938874 BJKBEJILCFROBP-CQSZACIVSA-N 528.409 6.079 50 10 KKGE CCOc1ccc([C@@H](Br)c2sccc2I)cc1Br 386337555 NFMZGXGSVZRAPE-GFCCVEGCSA-N 502.009 5.998 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 725237393 FUVKOFYYHKWFJK-SZUSGRFZSA-N 550.973 8.285 50 10 KKGE O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238606 WGKOAYGFBWHWLA-RUZDIDTESA-N 544.982 7.511 50 10 KKGE O=C(/C=C\c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl 1084008286 JEQQRZSUCLQMDO-JHHMJTLFSA-N 518.194 6.139 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1 1084036295 KSBVFQKGPNPYPY-UHFFFAOYSA-N 605.226 6.151 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084070844 IPVDEVRGQYOLFA-UHFFFAOYSA-N 575.662 5.457 50 10 KKGE O=C(COc1ccccc1I)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084086492 WKPRVEZLLGWSOS-UHFFFAOYSA-N 591.652 5.980 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084098966 UTDWXBNNJVQWFS-PXLXIMEGSA-N 577.435 5.201 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1084111489 UGWBRIDNPYFPJN-MUUNZHRXSA-N 595.921 7.197 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1OC 1084116052 AWKFXEREKCRSFA-UHFFFAOYSA-N 643.593 5.802 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)COc1c(C)cc(Br)cc1Br 1084270239 BYUYKQQTZCYEHI-UHFFFAOYSA-N 506.194 5.211 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084319402 BFYHVOZSTATLQV-UHFFFAOYSA-N 557.784 5.898 50 10 KKGE CC(=NNC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084445491 COCWYEMIWBSROQ-UHFFFAOYSA-N 575.090 5.151 50 10 KKGE COc1cc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084465042 XYKZUELYTXDGNI-UHFFFAOYSA-N 622.741 7.482 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 1084487536 LKMMZTZOQYIRNQ-QHCPKHFHSA-N 529.406 5.530 50 10 KKGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 1084523674 ZZVPZALEVLGGDP-UHFFFAOYSA-N 527.650 5.194 50 10 KKGE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@@H](OC(=O)CCl)[C@@H](COC(c5ccccc5)(c5ccc(OC)cc5)c5ccc(OC)cc5)O4)c(=O)nc3o2)cc1 1307318990 YURWKDZGGNYOEA-AXEMHBPCSA-N 777.314 8.853 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCCCCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 1772720154 DRKIPOBMBUDVMZ-UHFFFAOYSA-N 628.818 5.770 50 10 KKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)cc1 1772745156 UEMIJWXQSKPZEO-UHFFFAOYSA-N 528.008 7.065 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865687412 QPRYYGRIXMUNFN-GDLZYMKVSA-N 550.659 6.403 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865689900 GCMJFFMBQMCCFR-FQEVSTJZSA-N 520.914 6.140 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865692560 NDCFWVURYORYFW-AREMUKBSSA-N 559.464 6.502 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865694226 WBZHMYFTOUXVGV-GOSISDBHSA-N 504.896 5.560 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697202 PMFVKTOPRUPFEC-FQEVSTJZSA-N 564.267 6.129 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1 1865700946 ICOGAGVROGJYIC-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702906 HYIOKAGZXMSJLT-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702929 INWCTSXYGBHPAV-XIFFEERXSA-N 570.693 7.482 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704360 UFKWTUBAIXFDCS-AREMUKBSSA-N 514.988 6.083 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704484 XCFPVPRACYYNEW-HHHXNRCGSA-N 532.003 6.385 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705498 XAMAFQHZHXMNTQ-MUUNZHRXSA-N 512.569 6.025 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865711934 LPZYKEJCGPHBOB-GOSISDBHSA-N 541.313 5.442 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866729610 QIJVAVKRKSPMNS-NSOVKSMOSA-N 585.682 5.206 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780839 ODCWLBMDKWVYBO-WDYNHAJCSA-N 559.613 6.565 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](c4ccccc4)Cc4ccccc43)n2)cc1 1868320895 QOUUBUDZLCAXIQ-HHHXNRCGSA-N 525.681 8.247 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C)cc2)n1 1868321084 UKPZRYAZVFRLJF-XIFFEERXSA-N 555.707 7.930 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1868433467 LXAZGTWCKLXJIU-UHFFFAOYSA-N 571.150 6.877 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872790951 NJUCUSYOVHETBB-KEBDBYFISA-N 525.432 8.216 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)s1 2026211158 HYGHRFSECZVBOZ-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Clc1cc(I)c(OC[C@H](CBr)CC2CC2)c(I)c1 2050057426 PCKRWFOQKUPOFY-VIFPVBQESA-N 555.419 5.739 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2051239760 NOQKEDSUQUOXSB-LCZOEFHHSA-N 529.864 6.763 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1F)Cc1ccccc1 2059314188 HVBDTSCBOFVKMN-UHFFFAOYSA-N 539.898 5.697 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)s2)c1Br 2081071239 MWEHXPFMSUJDIF-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE CCCC[C@@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496804 STKQNMUYANAGLY-UHLUBPPHSA-N 526.332 7.843 50 10 KKGE Cc1cc(C)c([C@H](Br)c2csc(Br)c2Br)c(C)c1Br 2093942491 TYTZTYXYVGFXDA-GFCCVEGCSA-N 531.933 7.445 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2c(Cl)cccc2Cl)c1Br 2104788057 WUKCJDSMIGXXJI-MRVPVSSYSA-N 507.900 7.567 50 10 KKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1)C(C)(C)C 2123370650 RJDXZNMKYMLQSM-OAHLLOKOSA-N 503.300 5.970 50 10 KKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467944 FGCIPQXDDPIXOL-LWINAJNOSA-N 582.794 7.855 50 10 KKGE Cl[C@H](CC[C@@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2141477217 NKFIWUCAQMDHLK-OIBJUYFYSA-N 540.315 6.976 50 10 KKGE CC1(C)C([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(C)C 2141477727 SZYZSBRIULTMDV-NSHDSACASA-N 538.343 7.699 50 10 KKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142290186 ZBCZTMULKFGZHY-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3csc(Br)c3Br)c2O1 2150345369 JRTJSLWMVDGZPT-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE ClCc1cc(Br)c(OCc2cccc(Br)c2Cl)c(Br)c1 2166827474 UFHRJTIVTSRQRB-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE CC12CC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CCO1)C2 2206397572 KVZXHIAFYMRAFE-HSBZDZAISA-N 552.326 6.976 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399870 MOADXDZANUBVMZ-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE Cn1nc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2226975351 VPZDKUSARVYOKG-QMMMGPOBSA-N 602.144 5.956 50 10 KKGE Fc1cc(Br)cc2c1nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2232924284 UCMLKRSJUUZFQJ-UHFFFAOYSA-N 542.880 6.191 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1I 2257368888 KLSSOFMAGJSOFV-LLVKDONJSA-N 566.878 6.371 50 10 KKGE C[C@@H](Br)CN(C(=O)c1ccc(Br)cc1I)C(C)(C)C 2272491748 TZBAQWWGYCNQKX-SECBINFHSA-N 503.016 5.078 50 10 KKGE Cl[C@H](c1ccc2scnc2c1)c1c(Br)sc(Br)c1Br 2278611855 TWJVDINYAIMYLN-SNVBAGLBSA-N 502.478 6.974 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1 2293198460 VCMASWYHQPTIAR-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE O=S(=O)([C@@H](Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2295149776 QZUUXFALNYDVHN-OKILXGFUSA-N 587.209 8.352 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297602758 NBJRFADZXIXCDP-ATSLTLHPSA-N 672.642 5.353 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521352 ICIPFVUNNCMWAR-UHFFFAOYSA-N 555.328 5.333 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571300 RUIHWDNKFLEPPI-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571459 WVAZZSVORKTNJX-UHFFFAOYSA-N 509.130 6.404 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314620555 QMADRPPGPKJUSE-UHFFFAOYSA-N 552.631 5.120 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314621015 YUHSBHJMTZPQNA-UHFFFAOYSA-N 581.047 6.913 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 2314634853 VYHZZEDFQFVCRH-PMERELPUSA-N 510.590 5.957 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(OCC)c1 2314737960 DIKOBVLXAKTJNV-UHFFFAOYSA-N 541.600 6.070 50 10 KKGE FC(F)(F)c1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336080141 XRNJEZYRZNQKMQ-SFHVURJKSA-N 506.181 7.593 50 10 KKGE O=S(=O)(N[C@@H](CCCl)COCc1ccccc1)c1c(Cl)cc(Br)cc1Cl 2343790561 FZMXTVBRLYKHJE-AWEZNQCLSA-N 501.657 5.249 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)ccc1I 2360491321 FYLYYVYJORKRBD-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362253616 VPXMNRAVYXNVRN-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1csc(Br)c1Br 2380935950 YLXNOXUVVPBNIV-AWEZNQCLSA-N 501.509 7.796 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 14648385 UCDGKOJZPXXBBW-GOSISDBHSA-N 513.432 5.790 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 38607646 YSLKMUQSVIPVMT-OVVQPSECSA-N 520.633 6.051 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655597 DFJJSKOUPWBTDH-QMTYFTJSSA-N 523.416 6.708 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38685189 JEPJXBHGJDBHJM-SSEXGKCCSA-N 526.633 6.366 50 10 KKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816352 JNUFHOJVTUAFIU-RDRPBHBLSA-N 516.381 5.391 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc(F)cc1)CCC2 40823911 WWUMPMFGKLOASP-RDRPBHBLSA-N 519.360 5.026 50 10 KKGE O=C(OC[C@H]1O[C@@H](Cl)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 97973376 XVLSIQHWHHLLPV-SSGKUCQKSA-N 584.235 6.219 50 10 KKGE in-vitro CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3ccccc3Cl)cc2)cc1 100097014 NURPPQVTJMGKQW-SFQUDFHCSA-N 535.069 5.239 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 100173324 PUKDYIMDTQPPFN-UHFFFAOYSA-N 587.334 5.129 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 100236985 BZZGURJXHYNGBX-LUHMOWLYSA-N 570.300 7.242 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 100238080 WJWOZAZKEYAGHY-HKUOXJNZSA-N 571.501 6.672 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 100883618 ZIOQVHHEXYTMAE-YKQZZPSBSA-N 586.500 7.763 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 100920316 QKVYPLRCRLEWED-LSQILKJHSA-N 590.709 5.507 50 10 KKGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2cc(Cl)ccc2o1 101110241 SYRVSQJNKZASTG-BUHFOSPRSA-N 529.803 6.021 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101335005 ILUMADSDHYAKRR-WGOQTCKBSA-N 515.529 5.240 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C2=O)cc1 101340137 VAGCYRBSMNLCIK-STKMKYKTSA-N 600.719 6.808 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101368838 CWOJOKSZSSXKMT-XMMPIXPASA-N 576.230 5.967 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101376087 VGADMCCEQVWQOG-JAHKIVTCSA-N 549.454 7.255 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)c(C)c5)ccc43)cc2)cc1 101378815 YWYQADQAGDYLHB-MGBGTMOVSA-N 546.623 6.393 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381141 SWSZFUDRUNTUIW-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101387139 YKUGUEYKCGXMKN-GDLZYMKVSA-N 567.529 5.759 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(C)cc1 101387753 XGIUAUOJTSNALO-GDLZYMKVSA-N 538.625 6.472 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1F 101389141 HEINOMGLSIGUIN-JXNPFXPLSA-N 608.666 6.957 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389504 GJYXSLDBEXFULA-MGBGTMOVSA-N 594.639 7.028 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101394260 CZUAZMQVMCFTEU-NDEPHWFRSA-N 559.018 6.938 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101395865 JLTRKDLYPGICBZ-GDLZYMKVSA-N 563.050 6.610 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613612 BLXUQPCZWFPLBV-FEZSWGLMSA-N 542.433 6.740 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 101762380 MYPLOMXIFSJCOQ-HZHRSRAPSA-N 568.895 8.063 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 102849687 DQTIARWSTOUCIX-UYRXBGFRSA-N 542.798 5.241 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 103876917 XISKITWUVTVPGV-ODNPBWNPSA-N 616.918 8.351 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2ccccc2c1 103888416 VCXHIYAYJGOOML-MYYYXRDXSA-N 541.445 7.434 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccccc1 105403999 WKFNFKGUQISKSV-ZXVVBBHZSA-N 528.587 6.481 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463043 ZZPZHOSWECJYDT-PMERELPUSA-N 677.993 9.195 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)c1 236060190 KHZFCUWYYGRKIZ-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 254308058 POVXLGKOLYYAMA-RSFGSSNWSA-N 576.653 5.292 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 254442442 AXTAXUYQNAQXOX-BPUGRYJXSA-N 512.595 5.367 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(OC)c1 254734468 VTMNWRQUGGAPGV-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE COc1cccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1OC 254845465 DGGBHSZCCMROTD-UHFFFAOYSA-N 543.645 5.172 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3sc4c(c3c2=O)CCCC4)cc1 263629860 QPOCGISWOTZPOM-UHFFFAOYSA-N 616.853 7.177 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591382 YUZLCBDCWPRCMA-PRVVVKPRSA-N 620.771 6.056 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1cc(Br)cc2c1OCCC2 688412400 OYHYHGSMEINFEZ-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721572831 NIJUALCSXXKJIZ-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cccc(Br)c1 725423467 OUKWJHVXDLGKSD-UHFFFAOYSA-N 552.925 7.566 50 10 KKGE C[C@H]1CN(c2ncccc2Cl)CCN1C(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 1082548804 VTWMBBBDORPCKE-KSFYIVLOSA-N 571.452 5.866 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084123889 UZFSNMCMOPBAHM-UHFFFAOYSA-N 732.992 7.668 50 10 KKGE O=C(CCCCC(=O)NN=C(c1ccccc1)[C@H](O)c1ccccc1)NN=C(c1ccccc1)[C@H](O)c1ccccc1 1084322891 CVLMRNMQWDMXSO-KKLWWLSJSA-N 562.670 5.055 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 1084489476 CBEUSCITIWVFEC-YBFXNURJSA-N 556.254 6.653 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084575112 LTNMDSKWCKOBHC-UHFFFAOYSA-N 623.548 6.901 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084600401 JUQIHWQTEBFAAT-UHFFFAOYSA-N 717.038 6.361 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1 1084609233 NUPQTCXIEYOYDI-UHFFFAOYSA-N 573.671 5.019 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)cc1 1084640591 WXDWLVXFEJEHBD-UHFFFAOYSA-N 522.399 5.417 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084641114 PQHMIMVSTWSLEQ-JOCHJYFZSA-N 570.698 6.952 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Br)cc1 1084651797 NZHSWUVHLFXROP-YVLHZVERSA-N 542.773 6.144 50 10 KKGE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](/N=C/c1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12 1857788326 HJVPMMQNVLOVDY-UGNRWIAUSA-N 828.145 11.909 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686402 VILRNWSJTNZNEV-DEOSSOPVSA-N 517.416 6.440 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865688858 CSNKKNWCHHOHHA-HHHXNRCGSA-N 522.605 5.872 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865689652 VNMWIIRMOHZIJX-NRFANRHFSA-N 509.780 6.423 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OCC 1865691560 VMBKWPMDLDEHRZ-AREMUKBSSA-N 521.061 6.664 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865692365 BASOSOACSSJOCH-XMMPIXPASA-N 543.421 5.927 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695743 GZEMUEXOIXWUPP-QHCPKHFHSA-N 547.384 5.432 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702890 HSOCELWTJCOIIK-AREMUKBSSA-N 500.961 5.830 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706115 NWRKHJAQKDLDQZ-XMMPIXPASA-N 527.968 5.695 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)c1 1868564494 BTFDBNPWFNOMNE-UHFFFAOYSA-N 523.666 5.229 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872729123 OQEHHPZNROEOMA-UJVJZFQOSA-N 528.568 6.786 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)c(F)c5)cs4)cc3C2=O)c1C 1872751388 FSVSUDVONCHMQO-QQTULTPQSA-N 513.525 6.456 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915115949 PESHICIKRRDBQH-HNNXBMFYSA-N 551.060 5.870 50 10 KKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915756670 ZUJVTSMNJDTJEO-UHFFFAOYSA-N 542.120 6.264 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)oc1Br 1923074208 IPZYYFCBOJMATQ-LURJTMIESA-N 528.285 7.075 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924611658 DJCXVWLGMCRCIA-QZIAOZNMSA-N 507.911 6.764 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCC3(CC3)C2)c1Br 1950244420 CJLLGHNYZIFYNM-POYBYMJQSA-N 507.911 7.052 50 10 KKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2056446622 HFEAMAVEYHIFKD-XKSSXDPKSA-N 523.954 7.544 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(Br)c1 2083335769 VJKRIUYEFILXJB-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE COC[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494804 NTNGSKDXOPYAGT-MQNJHXBQSA-N 526.288 6.299 50 10 KKGE CC1(C)CC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498704 CJOUOQHMAGNMSW-LHLIQPBNSA-N 568.767 7.609 50 10 KKGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(I)c(Br)c2)c1 2093083021 XZTZAJRZRSIBSF-GFCCVEGCSA-N 536.048 5.003 50 10 KKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467829 CPSWNEXIMVNMBC-PRHODGIISA-N 584.810 8.245 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCC2(CC2)C1 2141467962 FIIPAKDGIFOOSH-WPPNPWJKSA-N 536.327 7.597 50 10 KKGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471629 UMDVWYJHEBGDMF-LVRCTXOYSA-N 586.738 5.977 50 10 KKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141475119 JEPRTPBZASQQIB-IHPSOHBWSA-N 584.766 7.130 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2142277418 PLOPDEOREBAJTQ-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2202350310 DAITWACKBBPWMF-CQSZACIVSA-N 548.294 7.120 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1cc(Br)ccc1I 2203814930 OFNVQZQPSPUPSE-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccccc1I 2221697620 NUVABBVUZRZAJZ-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE COc1ccc(Oc2c(I)cc(Cl)cc2I)c(CCl)c1 2235964488 YNYKKEPQHBLWLK-UHFFFAOYSA-N 534.946 6.089 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237456910 AGNNTUSYBPASGW-LBPRGKRZSA-N 501.871 7.506 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 2279058363 QVLVYZVDSBENTN-CQSZACIVSA-N 503.843 7.011 50 10 KKGE Fc1cc(Br)ccc1CO[C@H](CI)c1cccc(Br)c1 2281372860 OKUYYCADBVOBMR-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)ccc1Br 2288494978 NQDXBQLGXHKNJS-LLVKDONJSA-N 598.699 7.499 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccco1 2296706078 UUQKUOFDADBYEA-UHFFFAOYSA-N 535.003 6.588 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OC(C)(C)C)c1C 2297467312 FESCTKACUFHTEO-UHFFFAOYSA-N 523.680 6.905 50 10 KKGE F[C@H]1C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2307225608 XVFVYZZUIQYFDV-ANYMCVJYSA-N 514.252 6.765 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl 2313571066 MORRNWSFCJNFRX-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc(I)ccc2Br)c1 2314451743 HNMYGHVVWFUJBE-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592266 PGPWBDPHAWDTEN-HHHXNRCGSA-N 511.647 5.939 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314610119 CVCCWRIPKQHGPG-UHFFFAOYSA-N 500.986 5.450 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314610850 NBHQFINOKHJCBM-UHFFFAOYSA-N 588.683 7.430 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314616828 KPLFHZPYEAIHIR-DEOSSOPVSA-N 675.767 5.481 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314618915 WNVASWKCVVHYOC-XNMGPUDCSA-N 645.785 6.313 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2316834750 UEMKCECPVZJRBH-ZETCQYMHSA-N 521.898 5.816 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccccc2Cl)cs1 2331271266 CHNPTTXZRAMHMB-UHFFFAOYSA-N 501.926 6.353 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2333227922 NXUDOCUNEVFUGK-SNIXCWHWSA-N 618.822 7.805 50 10 KKGE Cc1cc(I)c(Oc2ccc(CBr)cc2Br)cc1Cl 2336558233 GYROTCYCGWQTDQ-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2340065113 UCCTULBHJBIXIQ-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)sc2Br)c1Br 2365185022 VEUFLBOTDVMFSJ-LLVKDONJSA-N 568.350 7.443 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Cl)cccc1Br 2365196290 KTTXAPXQHPWXOG-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(I)c1 2365597798 KLTNQGVLZSSYHV-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Cc1cc(Br)c(CBr)c(OCc2cc(I)ccc2Br)c1 2367519822 NADXANKUTCBVHJ-UHFFFAOYSA-N 574.876 6.599 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38682697 TXLPBUJXKKMTLD-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684783 NGDAFFZSDQDRPW-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38700812 HVNZOLGUIIBWLY-HHHXNRCGSA-N 512.537 6.497 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811763 WLNGKZHIBBMMAL-GQIVLKDASA-N 506.400 5.412 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813623 NVHADZJDWNYNNL-MWAVMZGNSA-N 507.373 6.738 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822762 HZDRQWVRFQMRPI-INKHBPHZSA-N 521.573 5.764 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 58888984 YJQGKFHZYQIJOO-RJNBOEKGSA-N 501.808 5.645 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 58895437 VFFHUKOYNPXNAU-WGNDPNKDSA-N 501.410 5.935 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235630 HQJQTIMRWJNMLJ-BATDETSNSA-N 556.413 5.299 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@H](CC)C2 101193856 JDJABECEFOQFGB-YSKWHIJTSA-N 543.472 7.552 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244530 DLNOPHDKHKJLSZ-IEQIIXMPSA-N 536.484 7.182 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 101246347 CNBNFPAYZXXUHL-IDJUBOEBSA-N 536.484 6.984 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101334983 MUYNBWKAKXTULA-MTDXEUNCSA-N 560.629 6.650 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339337 NAAPTAHHAVALMF-LGUFXXKBSA-N 516.638 5.888 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362485 BSNOWRNLMCZCHD-XIFFEERXSA-N 560.650 7.272 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 101375197 XUYMNRMMLXWPEF-WJOKGBTCSA-N 542.632 5.885 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 101387976 NHLHYGBEGVPSPW-UUWRZZSWSA-N 590.676 7.199 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101388033 HZYBVAZZIHPMHN-HKBQPEDESA-N 612.038 6.972 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389291 ULBLKSPEHATKIV-PMERELPUSA-N 571.004 6.894 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2c1 101397837 GZNDUURFAQOIOZ-HKBQPEDESA-N 560.581 7.205 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610312 ZUBJKCDZHGHUPG-MDAYZVFASA-N 549.627 6.006 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741671 ZXUGSNWEWQWCGG-SCIJIFGBSA-N 538.854 6.167 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 103797122 RFYTTXNIZPZKJB-XICOUIIWSA-N 550.058 7.458 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)NCCc1c[nH]c2ccccc12 103845001 WFMKXNNCLAJBOW-CIAFOILYSA-N 544.405 5.504 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cc2cc(Br)ccc2o1 103877899 ICPDORDZJCNUSW-LGJNPRDNSA-N 575.200 6.143 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1 103888376 CQJWPAJNOCDYMJ-NDENLUEZSA-N 570.281 7.043 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800063 CJXGRVVJQSULLN-HMAPJEAMSA-N 600.612 7.060 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccc(C)c1 105064510 AWVQQRWFYXYOQK-FDEZRRJOSA-N 542.812 9.559 50 10 KKGE CC(=O)O[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CO[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195814854 ZMHSQCDYRJMLIO-YXWIYCFASA-N 664.991 6.352 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 214369217 FZOHYBCPVQKJKM-OFWBYEQRSA-N 614.702 6.265 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 232511957 FURLSWAISHGAEU-INIZCTEOSA-N 508.035 6.836 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 253569375 MGGCHUCUJCJUBR-NJZRLIGZSA-N 506.610 5.187 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254288380 HBLUOQVTLXAWDJ-UHFFFAOYSA-N 516.682 7.829 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2)cc1 254290595 OMDBOIHGUAFIFK-UHFFFAOYSA-N 502.611 6.046 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(C(F)(F)F)cc1 254387288 RFYOKVZHEVBSME-UHFFFAOYSA-N 518.611 6.245 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)NCCc1ccccc1 254401365 FOMFJEYACRGXAC-UHFFFAOYSA-N 537.685 5.622 50 10 KKGE O=C(NN=Cc1ccc(O[C@@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1ccncc1 254409046 UBXDGNWIRZTCDO-RUZDIDTESA-N 541.822 5.504 50 10 KKGE CC(=NNC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254500242 JBCKNKXXPDFVDE-UHFFFAOYSA-N 532.243 5.848 50 10 KKGE O=C(NN=Cc1cccc(F)c1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254759322 UBUQOPXJAWVKFQ-UHFFFAOYSA-N 509.488 6.071 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(F)c(Br)c2)[C@@H](CI)C1 382703230 DKEXKEDEFHHYGO-JKSUJKDBSA-N 518.164 5.375 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2c(Nc3nn(COCC[Si](C)(C)C)c4ccc(Br)cc34)nc3cc(C(=O)O)ccc32)CC1 575332761 ULRYPMKCJJWHRY-PLQXJYEYSA-N 714.854 9.408 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616583464 IUPRRECRRTYWFS-VWLOTQADSA-N 511.783 6.749 50 10 KKGE Fc1ccc([C@H](Br)c2cccc(F)c2I)c(F)c1Br 721720651 WQMACOGIKFTGJS-JTQLQIEISA-N 505.897 5.955 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](C)[C@]2(O)[C@H](C=C(C=O)C[C@@]3(O)C(=O)C(C)=C[C@@H]32)[C@H]2C(C)(C)[C@@]12OC(C)=O 1073362403 AHLWZBVXSWOPPL-XPHXLLHSSA-N 614.820 5.960 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 1084096033 PQTFWHRJOKWFMQ-MUUNZHRXSA-N 551.083 6.409 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 1084446371 FJUAGFXRTQDRKN-WOJGMQOQSA-N 544.776 6.078 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084563269 VLEOGJUXOKJTIM-LZYBPNLTSA-N 625.100 7.341 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 1084651094 MRWUQNVTSDEIHL-DEOSSOPVSA-N 519.400 6.074 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653275 KTJXZYYYAVCYHX-PHTVNTCGSA-N 552.483 6.306 50 10 KKGE BrC(Br)c1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 1848432900 XADJWXJJVWQFNM-UHFFFAOYSA-N 636.391 8.636 50 10 KKGE CN(Cc1ccccc1)C[C@@H](O)c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 1848441359 INDZXAHOPYWHJX-XMMPIXPASA-N 501.860 7.620 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OCC 1865686770 AEORILCANWYNPJ-AREMUKBSSA-N 521.061 6.333 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865687447 RJYOBTFLFLTDKB-XIFFEERXSA-N 576.656 7.498 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689282 ONBAUFPMHFUGHQ-HSZRJFAPSA-N 559.420 5.551 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865691258 NWWIEJSUGHAKAB-AREMUKBSSA-N 508.553 5.529 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865691948 FYGKTVLGRGAMJW-FQEVSTJZSA-N 503.441 5.414 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865695230 AFPUAGHQTMZIQN-JOCHJYFZSA-N 528.531 5.695 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698283 PJRQDCBEFLZBJP-XMMPIXPASA-N 551.485 5.887 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865700734 CDGCLJWCGYWMIQ-KRWDZBQOSA-N 546.219 5.027 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702821 FZKNHSPLSGCEDK-SANMLTNESA-N 531.443 6.598 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1Cl 1865703957 JNRGVLIJQHWWJF-XMMPIXPASA-N 513.425 5.960 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708795 GGCZZYWLXWYYLK-LJAQVGFWSA-N 573.694 5.088 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711550 BEHOHIDSTFVDMB-RUZDIDTESA-N 517.416 6.539 50 10 KKGE O=C(CCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)NCCCBr 1866028639 QUFPBMBZDMSLFC-UHFFFAOYSA-N 668.800 5.014 50 10 KKGE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866574002 AVBUIMJIHIIEEX-DEOSSOPVSA-N 572.643 5.005 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C(C)C 1872753671 IJKFHTQSRNKCFD-RWEWTDSWSA-N 515.635 6.452 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2sccc2I)s1 1922921890 WAIKKRNWKXJOHL-SSDOTTSWSA-N 542.881 6.424 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccccc1I 1923054837 KUOQCVVQRNWMKZ-MRVPVSSYSA-N 526.846 6.859 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)[C@H]1C 1924591533 SBIMOEMDCKHQCF-DJFHCUHBSA-N 525.926 6.531 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924605190 NSBYGAOJWHUAII-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE COC[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616349 NWWULXGFGRFCHA-KWQFWETISA-N 527.898 5.667 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cc(Br)ccc1Br 1925589234 SHCAKBZXGCESIV-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Clc1cc(I)c(Oc2nc(Cl)c(CBr)s2)c(I)c1 2037799155 GELBQEYIHQBTFC-UHFFFAOYSA-N 590.833 6.346 50 10 KKGE COc1cccc(NC(SCC(=O)Nc2c(C)cccc2C(C)C)=C(C#N)c2nc3ccccc3s2)c1 2040467030 SKWPETFRUMETTP-UHFFFAOYSA-N 528.703 7.413 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@@H]4OC(c5ccccc5)=N[C@@H]4c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 2054338573 ZAXCJOQYACAQIY-ZPWFZZNYSA-N 950.167 7.820 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061006664 XMSCGAAHYUJGLL-LKHWLPBLSA-N 523.910 6.429 50 10 KKGE COC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2061294620 ZLVUDGHFFBYBBG-BHNWBGBOSA-N 525.926 6.534 50 10 KKGE BrCc1cccc(OCc2cc(Br)ccc2Br)c1Br 2118520210 RRXHWVNWYRRHME-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cl[C@@H](c1scc2c1CCCC2)c1c(Br)sc(Br)c1Br 2130576601 QROQTMAMKOWKJS-SNVBAGLBSA-N 505.522 7.304 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2C3(CC3)C23CC3)c1Br 2141470571 IGUDJRIYKHCPES-LLVKDONJSA-N 578.762 7.363 50 10 KKGE FC(F)C(F)(F)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471293 PYRCGUSYAVOOAG-YFKPBYRVSA-N 600.662 7.463 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2146764180 WKZFPNNSUSSLPX-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)cccc2Br)c1Br 2201069597 WDAIAJICEILEDH-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(I)c1 2201617194 DBXWLAHWSIVSRX-NSHDSACASA-N 540.342 6.609 50 10 KKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1Br 2207363879 QHZAYYALRDLVRT-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE COc1cc(F)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2225636042 ZHZKQVYAIZKSHK-SECBINFHSA-N 537.868 6.668 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)c(C)c1Cl 2232511833 RGDYIZLVPKWYFT-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Cl)c(C)c1Br 2235605517 SELYJKULWCDMIC-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2236517958 KBOHBRRFGSSFNW-CYBMUJFWSA-N 550.354 7.987 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2csc(Br)c2)c1 2252834556 JWZGDFZSTRXOFH-NSHDSACASA-N 503.879 6.714 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 2255964216 OOFHMTJGBVHCGQ-MRVPVSSYSA-N 633.738 7.264 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)cc1I 2269546837 OTUNCQMEFPOYIV-CQSZACIVSA-N 518.947 5.886 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2270428744 FAGHFKMZNGXMFF-SECBINFHSA-N 511.863 7.465 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2270458863 PGTVTFHXRZYXTN-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2csc(I)c2)cc1Br 2278034708 QYUNWAUFHWOCKT-ZDUSSCGKSA-N 518.008 5.617 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2I)c(C)c1F 2279147117 RIBWTZFHDKYKEV-CYBMUJFWSA-N 515.961 6.433 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C[C@@H]1C[C@H]3O[Si](C)(C)C 2294818685 FUVKOFYYHKWFJK-HKAPGQPJSA-N 550.973 8.285 50 10 KKGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccc(C)cc2[N+](=O)[O-])c1 2295672696 TUIPWEMLOLSONB-UHFFFAOYSA-N 521.551 5.275 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1 2296707936 ZGVGONXHBOYIRJ-UHFFFAOYSA-N 510.597 6.342 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCC(=O)c1ccccc1 2296790057 LGSFAPXSIHRMML-UHFFFAOYSA-N 521.425 7.451 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2297458645 PFUDHNQDTVVLHR-HSZRJFAPSA-N 536.426 5.331 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2299500734 IIFWYCDOALWMJT-HHHXNRCGSA-N 538.279 8.091 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570940 JOXNOBPLXDIICC-UHFFFAOYSA-N 709.536 7.981 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 2313630571 BXPJFJGFUISLRO-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331325214 XRLCXECDTLWKPO-QFIPXVFZSA-N 503.580 5.331 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1OC(C)C 2331416833 OATCXUWFLTXGPF-UHFFFAOYSA-N 505.437 7.586 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337080844 NINRXHPBIHJRLV-MRVPVSSYSA-N 540.250 5.984 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(F)cc1I 2338019019 AVHSSTATASZVNP-AWEZNQCLSA-N 518.027 6.691 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2sccc2Br)c1Br 2339652884 CWLBKMXJSFJKCR-NSHDSACASA-N 533.905 6.837 50 10 KKGE COC1(C(F)F)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2343012411 QBCGPIMBLSARAT-YYQJUZLISA-N 503.428 6.376 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(F)c(Cl)cc2Cl)C1 2349886928 OWTDONOSCLAPHM-SFHVURJKSA-N 518.194 5.854 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccccc3C(C)(C)C)cc2)cc1 14666816 JFVIZMRUGBPDJP-UHFFFAOYSA-N 501.627 5.374 50 10 KKGE N#C/C(=C/c1ccccc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33571824 VIOXQPUPWUYJFW-AUWJEWJLSA-N 503.299 6.762 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38685549 VJZWQOHINIBZNY-NDEPHWFRSA-N 502.998 6.275 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1OC 38688647 BXQDHTLWOIXIKV-SANMLTNESA-N 510.546 5.813 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 38700649 KJADRXVVNPJVBB-SANMLTNESA-N 514.965 6.621 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccccc1Cl 40911110 ODRHDEATKPSNBL-FDAWAROLSA-N 500.982 6.124 50 10 KKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 40949006 DWEKZWRFKSYEII-HAVVHWLPSA-N 513.594 6.071 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 50568383 DAUIPMUKUYCUDJ-QJISPJEISA-N 507.377 6.348 50 10 KKGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 59500497 CHXWKNNJVJCFQW-DICXZTSXSA-N 508.372 5.089 50 10 KKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)c2C)cc1 97654700 PHMOAVOUCUYOIX-UQRWVXEISA-N 508.521 5.816 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212196 GQCHASRRPSIHFK-UHFFFAOYSA-N 539.470 6.105 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 100234143 IWULOCACPZYDJZ-MCBXPEHUSA-N 604.545 6.798 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)c1 100999804 TYIONORPDKOBOY-VVEOGCPPSA-N 606.286 6.531 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243893 JXPQCVHSTUWRIO-VAMWZUOXSA-N 532.065 6.042 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246490 FPOMHUXSBDLUDS-NNHPPCHPSA-N 562.489 6.085 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 101304894 IGXGWBFVKWZYEO-TURZUDJPSA-N 550.659 5.820 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101334963 WIUMEULMKWMJCB-RDRPBHBLSA-N 542.639 6.427 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101339750 PGFNGKRJEYWBAM-MUFRIFMGSA-N 586.648 6.156 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 101340818 XFGXTPJUXLBRKR-MTDXEUNCSA-N 563.057 6.774 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1 101367368 XMPWAFPPDISYTA-HKBQPEDESA-N 594.620 5.737 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 101368603 KOGPRWCUARYDJC-QHCPKHFHSA-N 527.360 5.457 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 101368927 NRBBMYOHQJNWCC-XMMPIXPASA-N 541.785 5.314 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376192 OFPNFUXOODDHEU-WKRVVKTRSA-N 540.660 6.826 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376264 XCHRROAVLHCKDS-NDEPHWFRSA-N 563.448 6.221 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101395217 PTEVXRBDVFQING-RUZDIDTESA-N 595.504 7.833 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H]5COc6ccccc6O5)ccc43)cc2)cc1 101397412 HGZDCIRPIIHVHY-CONSDPRKSA-N 546.579 5.538 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)oc2c1 101397597 VZOODZJBGMQJIP-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601221 MCFVIVPOHKDRMU-KBVAKVRCSA-N 524.326 6.636 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(Br)c6cccnc56)c(C)c43)coc2c1C 101619957 LBQFIUJQVCAGRZ-PPFNPFNJSA-N 600.469 6.880 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OCC)c1 101673970 AQSVTTBAUKKTID-LDADJPATSA-N 530.415 5.600 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1 101759651 RSOIIJFZYRVFPC-UHFFFAOYSA-N 546.325 5.827 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(C)cc1 101766775 NTVCFHOSBDENTJ-BIZUNTBRSA-N 567.524 6.952 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 101767038 MLRRQSOVKCRASV-STBIYBPSSA-N 574.313 6.662 50 10 KKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102419336 ZNQQBAJYWMWXRJ-MNDPQUGUSA-N 578.488 7.393 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 102666297 HQTUHZFBCVRIEG-CTHAODRQSA-N 508.430 6.367 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Br)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743085 UYKSCTSDQWCXNM-CHTIKVTKSA-N 546.490 5.543 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 103887268 OZQKWBYMYJJKLV-ZDLGFXPLSA-N 560.673 7.298 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl 104769449 NYMUNHZLGUMXCI-KEIPNQJHSA-N 582.129 6.527 50 10 KKGE CCCC[C@@H](Br)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920696 HOLIBVBKAUVEFC-XBHIPJAUSA-N 563.705 9.893 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 150462081 AREOVJVNOUCSKM-XMMPIXPASA-N 694.757 8.874 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485830 VZFIFFQBNFSQJN-YTTGMZPUSA-N 651.930 7.745 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 150489468 FGGJBSMUVLEUHB-DEOSSOPVSA-N 676.767 8.735 50 10 KKGE COc1ccc([C@@H]2C[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)[C@H](c3ccc(OC)cc3)[C@@]2(C#N)C2=C[C@H](Cl)[C@H](Cl)C=C2)cc1 150493443 XKRMSAFBQDWAPH-QCYDNTGFSA-N 664.629 8.583 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205649416 WWCONHTYUAXDRJ-DVMXGPBISA-N 524.617 6.228 50 10 KKGE CCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 214389569 CMDOUJBTOMIFDL-XKZIYDEJSA-N 502.567 5.175 50 10 KKGE CN(C)c1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(N(C)C)cc4)cc3)cc2)cc1 253639558 HKOMVPIVHSPJQP-UHFFFAOYSA-N 510.732 8.119 50 10 KKGE Cc1ccc(C(=O)NC(C)(C)C(=O)NN=Cc2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=NNC(=O)C(C)(C)NC(=O)c6ccc(C)cc6)c5c4O)c(O)c23)cc1 254308493 JVWIZAUQLRXNFR-UHFFFAOYSA-N 953.106 8.691 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1 254372450 YBICVHNYEUSAJL-UHFFFAOYSA-N 536.757 8.626 50 10 KKGE CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2cc(C)c(Cl)cc2C(C)C)c2cc(Br)ccc21 254447630 DSCFUPJUUUBCAJ-UHFFFAOYSA-N 606.005 6.640 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c(OC)c1 254494992 UDQLBRUAHZYSCR-UHFFFAOYSA-N 508.574 5.634 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)C1c2ccccc2Oc2ccccc21 254573597 WCRVQHJQLFHPNF-UHFFFAOYSA-N 538.401 5.754 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2OCC)cc1 254768983 GDAATVLEQJLDQX-UHFFFAOYSA-N 504.583 5.356 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1 254908252 QULZWRJSJQTGOE-UHFFFAOYSA-N 547.684 6.551 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 256502873 IFJUINDAXYAPTO-ODOPKRPFSA-N 720.734 8.524 50 10 KKGE C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](I)CC[C@]5(C)[C@@H]4CC(=O)[C@]3(C)[C@H]1[C@H]2C 261493264 LSSCSKHAALBXBQ-LRGWJBHGSA-N 540.526 6.416 50 10 KKGE CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CN(CCCl)CCCl 263609588 VFBRDXSMQKKJLN-SGWOUWOESA-N 662.699 5.962 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CCl)[C@H](c2cc(Br)ccc2I)C1 382713897 IUXGIJRFWIRJFW-WMLDXEAASA-N 534.619 5.645 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616590422 RALYOFHHSKCHRY-WECGSMFPSA-N 662.852 7.227 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)s1 688142790 DHWVAAWZKKQOEX-GFCCVEGCSA-N 533.905 6.666 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 1081098305 YOXLFXVJFLZTQW-UHFFFAOYSA-N 519.428 7.305 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1 1083956699 OMXBPBNNSVASBK-UHFFFAOYSA-N 530.650 5.111 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084013995 XWQYLFUIPMOVQY-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc2ccccc12 1084147017 AUGSOCGGMHCWHK-WJOKGBTCSA-N 552.671 6.519 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1 1084154034 WTPUZLBZSKFXNG-PXLXIMEGSA-N 550.428 5.432 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(F)cc1 1084333639 JLCQBEVMDZELOQ-UHFFFAOYSA-N 673.526 7.938 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747679 PWZCWDKJPWTPDI-UHFFFAOYSA-N 554.650 7.209 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@H](O[C@H]1CC[C@@H](N(C)C)[C@H](C)O1)[C@H](C)C2 1848433221 ZFKWIQIRGQWRDP-NIFIIDSYSA-N 957.329 5.512 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690144 JQHDCCPBDTXNRT-HHHXNRCGSA-N 575.496 7.642 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865690758 AHHAVUCBVOTDIR-HSZRJFAPSA-N 552.473 5.778 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc(Br)c1OC(C)C 1865696803 KYYOEOKFCCPGAG-QFIPXVFZSA-N 509.404 5.266 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700882 GWBHJOMNTFZILN-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703935 IZHZZQAMFWZZLA-XMMPIXPASA-N 550.968 6.709 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704383 UORVLVVOCXKUSR-MHZLTWQESA-N 545.470 6.988 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865705126 MXIGBBYMOGEWLW-JOCHJYFZSA-N 566.923 5.990 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705996 LLHPYIAEWLXDBU-FQEVSTJZSA-N 518.788 5.970 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709900 JOOGUAVRSBNBRD-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713219 UJCKDCCRWYISIE-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866615298 WTPJHAOIDFEELE-RUZDIDTESA-N 530.675 5.057 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3cccc(Cl)c3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866668041 YVGSETKUVLISLH-MHZLTWQESA-N 589.073 5.711 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866727132 CKMNDFGGTHQANV-FTJBHMTQSA-N 545.636 5.420 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866783497 QUTYTMFRBOFARN-LOYHVIPDSA-N 569.727 6.978 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4cccc(Cl)c4)CC3)nc(Cc3ccccc3)n2)cc1 1868207409 MKNAPPAROQKFEI-UHFFFAOYSA-N 528.081 7.085 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872751940 IFESSVOQURDIPQ-XDOYNYLZSA-N 516.376 5.815 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)\c2ccccc2)cc1 1872758060 JMZMHUDDVQMFLJ-GHZVKXTHSA-N 505.426 8.159 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c(C)c1C 1872792940 YPXFMWRGRSSAMY-KOEQRZSOSA-N 502.639 8.232 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 1898077822 FGIMIAGVBWVYPF-XTZAULBFSA-N 541.701 5.520 50 10 KKGE Clc1cc(I)c([C@H](Br)c2csc(Br)c2Br)s1 1900925399 ZSKBFYQLXYGMCQ-ZCFIWIBFSA-N 577.326 7.077 50 10 KKGE CC(C)(CI)COc1c(I)cc(I)cc1I 1904662163 XDXGGTMSLXCSIG-UHFFFAOYSA-N 667.832 5.340 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(I)cc2)c1Br 1922945107 CMRUPPKIFPLDEQ-JTQLQIEISA-N 550.879 6.670 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccsc1Br 1923038947 LYAOSTYPWFCMNB-YFKPBYRVSA-N 530.326 7.235 50 10 KKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(I)ccc1Br 1926736340 NTHQHPBWCCQESB-GFCCVEGCSA-N 515.027 5.127 50 10 KKGE CC(C)[C@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782634 NZTGEGHBAWQBSK-QTTZVWFDSA-N 512.305 7.309 50 10 KKGE C[C@@]12CC[C@@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2058138347 CREFWCGHOCWFIB-UWJYBYFXSA-N 523.910 6.431 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c1 2083333415 GYYROPYMSIGUEE-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 2138244973 ZIWYKBTWFBSPCZ-SNVBAGLBSA-N 554.323 7.182 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1csc(Br)c1Br 2139014022 CCGFVWIHLSSQHZ-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Cl[C@@H](c1cc2cscc2s1)c1c(Br)c(Br)cc(Br)c1Br 2206394749 JFDSBAAZVCEKAZ-ZDUSSCGKSA-N 580.386 8.341 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206398663 XLGVCOHSPAOEEP-NSHDSACASA-N 598.699 7.499 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC[C@@H]2CCCCO2)c1Br 2206398795 ZCHYLJZHXFAJDK-DTWKUNHWSA-N 598.793 7.522 50 10 KKGE Clc1cc(Br)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206409280 PADDAGUWSUHUCD-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(Br)cc2I)C1 2207273310 TUFSOSCTFQWJKT-NSHDSACASA-N 515.027 5.079 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)s1 2237632835 CYGNPUWKYDXYEN-GFCCVEGCSA-N 503.119 6.972 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(C)ccc1I 2240997365 SRUUHZXJPJWESE-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2246467409 WYYRBHWEAQGMNB-SCSAIBSYSA-N 564.771 7.888 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288495640 WVNZHMORVYYMJN-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE COc1cccc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295329343 HJPVEVMEJYQDNV-CYBMUJFWSA-N 527.876 6.661 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506894 KBTQMVAYQUBJLW-NDEPHWFRSA-N 509.675 5.814 50 10 KKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=CC3=Cc4ccccc4O[C@@H]3C)nc2-c2ccc(C)cc2)cc1 2296717911 IXXPQQIIZZAHSF-OAQYLSRUSA-N 503.627 7.451 50 10 KKGE CCOc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 2296780601 JPYXLBMEXJCDOS-GDLZYMKVSA-N 624.162 7.632 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2299502767 ZLTULTZTKBWHOE-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 2313518186 QOIIWLVOTBAYAV-UHFFFAOYSA-N 502.352 5.417 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567531 LCJSNUKWICKQFT-UHFFFAOYSA-N 580.866 5.635 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631573 SAZJSTNPDRPJCD-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314591814 FLWGGZDHQHXHFB-SANMLTNESA-N 549.618 7.202 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 2314618034 GDBIJWZGHLXECV-UHFFFAOYSA-N 546.627 6.412 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 2314634193 YVYDBZMODPMVIP-DEOSSOPVSA-N 507.771 5.939 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634824 QHORFIXLKXQTFH-YTTGMZPUSA-N 607.534 8.188 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2314734753 HABIHGHSFHUXCE-UHFFFAOYSA-N 522.000 7.611 50 10 KKGE CCCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OCC 2314770601 LNZCXGNPGHPNFL-UHFFFAOYSA-N 514.578 5.699 50 10 KKGE Brc1cc(CO[C@H]2CCCCC[C@H]2I)ccc1I 2325376349 ILQJFSKXVIUYAR-KGLIPLIRSA-N 535.001 5.707 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1Cl 2331377570 MNODFYSLGXUXAT-UHFFFAOYSA-N 509.971 5.435 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331488692 PQJHJCLXHNGFTN-UHFFFAOYSA-N 510.240 7.351 50 10 KKGE Brc1ccc(I)cc1CO[C@H](CI)c1ccccc1 2341838144 OLVZBGORFOOLNB-OAHLLOKOSA-N 542.980 5.747 50 10 KKGE C[C@@H]1CCCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364267205 HIEOTFCZAASNSW-CXOGBFNASA-N 514.039 6.165 50 10 KKGE BrC[C@@H](COCc1ccc(I)c(Br)c1)c1ccccc1 2377636682 QIMWUCYKRGGDJX-AWEZNQCLSA-N 510.007 5.749 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 10683732 SSMWBBUAEXJJJX-LAUBAEHRSA-N 519.480 5.644 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 38681161 CAPVDOCNAMXAGN-SSEXGKCCSA-N 526.589 5.586 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCC(C)C 38684220 MQEMNYOBKIGYEC-SSEXGKCCSA-N 528.605 5.549 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38684315 ZLHRFJYIBNXBDD-PMERELPUSA-N 528.605 5.857 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38684690 UBZYKDDTAZIUSE-PMERELPUSA-N 526.633 6.584 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38685476 OKYGJQHKZXVSPU-PMERELPUSA-N 512.606 6.075 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701162 VPXFQCNYRJAZDS-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701258 KEWIBNNLOZVFPP-GDLZYMKVSA-N 522.601 6.974 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 40959877 ZGHZIAOVONIATA-RWPZCVJISA-N 511.416 5.437 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(C)c2)cc1 58895590 OACXQUFDDXAPHN-OXOGFPMKSA-N 525.443 5.699 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC 59335898 ZVJAKSOQCPHASA-WDZFZDKYSA-N 503.123 5.161 50 10 KKGE CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCBr)c(I)c1 72130562 BZONOCYTJWTZBO-UHFFFAOYSA-N 653.092 6.989 50 10 KKGE in-vitro CCCCCCCCCCCCC/C=C/[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CO[P@@](=O)(O)OCCBr 72399486 VNDADUIUBJVJTF-QKTRXYFASA-N 626.610 8.513 50 10 KKGE in-vitro N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968943 BNPLJXGVCNHCHD-UDXHRHDRSA-N 573.299 7.470 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 100235740 RFBNBBKDVPIVIQ-KNFLVYKJSA-N 610.332 6.706 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 100236203 DCGRPDKJIQONRI-PEHSQKLVSA-N 600.466 5.698 50 10 KKGE C[C@H](CSSC[CH]NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21 100484259 MNENLWBLBAYARW-HSZRJFAPSA-N 609.793 7.995 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@@H](CC)C2 101193894 MBWXGTZSIWBDCE-XYGUXCPDSA-N 577.024 7.918 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 101336163 USCJBPFNTGWIBR-PCLIKHOPSA-N 542.611 5.484 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101337041 XPJAHXRDTJOZCH-RPFADYPDSA-N 584.676 6.198 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339479 VXIKHQIBEAVGSF-AJBULDERSA-N 572.734 7.532 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362367 SPEWEDOUMIVBHC-WJOKGBTCSA-N 534.568 5.477 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 101368612 HNNJKYSCGZCYQQ-PTIDKISKSA-N 540.616 5.847 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101375398 YJMNXPFMAVNVAV-JGCGQSQUSA-N 572.658 6.256 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 101375419 UNCPLHYIJGJGNU-JGCGQSQUSA-N 570.686 6.864 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 101376947 UXEFXYABVJZKNV-SANMLTNESA-N 533.422 6.455 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101381006 WVPYZDHBZUGMOA-ULKXQASOSA-N 578.640 7.119 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1F 101389084 VMHQDSNJEIOIES-UMSFTDKQSA-N 594.639 6.623 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390497 RKJJXPWQYHLIDJ-NRFANRHFSA-N 557.842 7.307 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(Cl)c1 101391089 DYSOSLATNSTYJP-OAQYLSRUSA-N 527.816 7.299 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399124 KQTGDMHNPMAFGK-XIFFEERXSA-N 586.644 7.383 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399656 KPZABJMNWGQENU-DHUJRADRSA-N 614.698 8.082 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610355 VQBBRZDCPZYJBQ-KJFHWCLQSA-N 528.612 6.377 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2c(Cl)ccc(Cl)c2Cl)c1 102016145 MXIAZQVUNMNALR-LUOAPIJWSA-N 536.893 7.078 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(F)c1 103796424 BOLLSWXFXFXVBR-VFLNYLIXSA-N 545.792 6.729 50 10 KKGE COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103876725 DKSUZBPWASKPLO-WCMJOSRZSA-N 580.866 6.184 50 10 KKGE C=CCn1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2scc(-c3ccccc3)c2c1=O 103908561 JRUQVZKXNNYFAH-QJOMJCCJSA-N 514.657 5.925 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(/C=N/NC(=O)c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1 150386824 QNTUEKCYHULEAH-XHVGDULWSA-N 720.874 8.314 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 150416344 JGQJWKWNNKAJAJ-UHFFFAOYSA-N 656.350 5.541 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(Br)c3ccccc23)c1 161111982 CONZDXMQOCGYKT-KRWDZBQOSA-N 533.883 7.612 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 164648781 MCDQEOYFDJSUIS-JEPNHJGPSA-N 643.379 8.321 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc(Br)cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 195790538 BZDJOOAXNTTXEI-NPPXOXGXSA-N 632.546 8.782 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205656660 LIFYTCYRFZHQCN-SUFIFVMZSA-N 524.617 6.410 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2)cc1 210607279 KTRHIDXROZVHPX-NSTKAWJASA-N 514.606 7.655 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214326603 BUXAPMWBQOTWHZ-WPJWDDELSA-N 588.639 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214358409 DIVOQIDHGBSQTP-GTWSWNCMSA-N 568.677 6.962 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 236244298 JLMSXCSCAOFZFX-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 252585476 ITYHVELUBHVTQN-UHFFFAOYSA-N 562.851 6.698 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498456 PDBJUWKMSORENK-XXMXWMFJSA-N 658.644 10.881 50 10 KKGE biogenic C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253570973 OIMDLWNOXKWLIU-VCZNVQPKSA-N 571.755 5.047 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254502164 ZRPZNHJQGPKZOU-UHFFFAOYSA-N 581.754 6.581 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 256833450 WBXYUFMFVHCXRR-XBLYNSGISA-N 683.882 6.083 50 10 KKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 312379339 MYOLYCLHPAHWIE-JQWIXIFHSA-N 515.027 5.222 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)cc1Br 385889596 DBIGYKVUEJBJCU-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616589952 QCJSYZSJARHGIB-ORIAJCIFSA-N 620.903 8.306 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 616692574 XSTICIHWYVGPAN-HHHXNRCGSA-N 508.760 6.613 50 10 KKGE Clc1cc(I)c(OC[C@@H](CBr)C2CC2)c(I)c1 701861891 DVPVTCQYIXVZIJ-MRVPVSSYSA-N 541.392 5.349 50 10 KKGE O=C(NCc1ccccc1Cl)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238330 RUSFNRXBSUKONP-HXUWFJFHSA-N 501.357 6.050 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 725397437 SLOCWIIEORPSTG-UHFFFAOYSA-N 625.545 5.219 50 10 KKGE O=C(OC[C@@H]1O[C@@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 1083803719 RITGYQZMPNVVEG-DYFQPDDQSA-N 637.666 5.348 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1083999802 RGJPIYAQWPVMPQ-UHFFFAOYSA-N 538.417 5.332 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)c(OC)c1 1084001129 CPRMMWHGEDIGEV-UHFFFAOYSA-N 509.400 5.294 50 10 KKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(-c2ccccc2)cc1 1084008328 ZILOGAFEBVVWSX-UHFFFAOYSA-N 552.266 6.951 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084031314 WNCJYGLCPVCBIY-UHFFFAOYSA-N 626.693 6.815 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1084147714 VLNOEPITLMZRIF-UHFFFAOYSA-N 564.800 6.011 50 10 KKGE O=C(Cc1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1084249489 DKGMEGAULXIKDE-UHFFFAOYSA-N 556.416 5.613 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C 1084330170 QSFCYGYHCGRIDE-WJOKGBTCSA-N 522.674 5.941 50 10 KKGE N#C/C(=C/c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1084339685 XJBMWABUABNBLU-GRSHGNNSSA-N 532.369 5.543 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1F 1084458229 NHNSLFMMNWIPMR-UHFFFAOYSA-N 587.695 8.062 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 1084473808 WMFBSDCGYLAFCC-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C/C=C\c1ccccc1 1084503297 STLLPUSWCFJEGM-KGNCUPDZSA-N 623.369 6.306 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744854 LLLLWKMQSCNHMR-UHFFFAOYSA-N 529.980 6.462 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751364 PSPVJVMUYBMKFR-UHFFFAOYSA-N 517.383 5.621 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865684883 AJRYDWHDCKGVPZ-QFIPXVFZSA-N 568.258 6.835 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1c(F)cccc1Cl 1865685907 OVRZJRYLXAJXEY-OAHLLOKOSA-N 501.242 5.753 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865693668 PVNHACLTLBKHFJ-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701356 TWQXXDWVQJPNAJ-MUUNZHRXSA-N 559.041 6.482 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703715 CVTWZVAFZRKMJA-VWLOTQADSA-N 547.840 6.394 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865706182 PLXBSDZPJAOESU-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706491 XWAIOSLNMYLLTA-LJAQVGFWSA-N 534.660 6.225 50 10 KKGE CC[C@@](C)(NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867025954 GNJASWNZWSHQPL-SSEXGKCCSA-N 515.679 6.527 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)C[C@@H]2c2ccccc21 1868433803 RAFRPBAXWDEXLK-AREMUKBSSA-N 567.118 6.795 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1OC(C)C 1872790641 VRCADOAKXNLUEE-GIDUJCDVSA-N 524.267 7.739 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc(Br)o2)c1 1899894001 SOJFDIUZIHZSGN-GOSISDBHSA-N 501.012 6.868 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](Br)[C@H](OCc2c(Br)cccc2Br)C1 1901795913 VYHVYCHPHKACQX-ZIAGYGMSSA-N 514.052 5.111 50 10 KKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915076900 QYFAEYLAIIRQNM-HNNXBMFYSA-N 506.609 5.714 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cc(Br)cc2F)c1Br 1922885029 UAAFWLZLORXDON-JTQLQIEISA-N 539.859 7.107 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Cl 1995048729 SOHCJGFPAVJTPS-XQKIPNJGSA-N 516.680 6.644 50 10 KKGE CC(C)Cc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 2087331724 DGQVNJJVEZLOTO-OAHLLOKOSA-N 514.064 6.798 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2094090267 FUSSMYVCRRZDKP-CQSZACIVSA-N 513.849 6.467 50 10 KKGE BrC[C@@H](Cc1cc(Br)ccc1Br)c1ccc(Br)cc1 2118523723 BKYSTYBXYYZZCV-GFCCVEGCSA-N 511.877 6.695 50 10 KKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cc(I)ccc1Br 2139644694 ZMAHJLHIZYPNAI-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Cc1oc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468284 ISGXWXPFYPOUBU-GFCCVEGCSA-N 601.152 7.729 50 10 KKGE CC1(C)C[C@H]1CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472700 HCTKAXLWBZVZIY-SFYZADRCSA-N 582.794 7.999 50 10 KKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(Br)cc1I 2207264245 CPTBXQABKLLUJP-HNNXBMFYSA-N 515.027 5.079 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2sccc2I)c(Cl)c1Cl 2217612459 FDWXEQXNCWCHEU-JTQLQIEISA-N 516.840 7.404 50 10 KKGE Cc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)cc1I 2232834721 WMFVANRVCUYTIF-SNVBAGLBSA-N 539.980 6.927 50 10 KKGE Brc1cc2sc([C@H](Br)c3cscc3OCc3ccccc3)cc2s1 2252907025 CHCWOAFYXNNIFE-GOSISDBHSA-N 500.302 7.850 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(Br)cc2I)c(Br)c1C 2253468790 PYIYIVSZRGUOLE-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(F)cccc2I)c1C 2255962985 HIMBQKZEKUCURH-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1I 2257368916 KRTMIQFENXZBTI-NSHDSACASA-N 522.427 6.215 50 10 KKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2272851426 JCRNFAKEOAVRFM-SSDOTTSWSA-N 573.973 5.985 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCCC23CC3)c1Br 2281364897 PQXDEJAXRSIBPH-DTWKUNHWSA-N 594.805 8.143 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1cc(I)cc2c1OCC2 2282893938 MGTXYCFTWJVNGK-CQSZACIVSA-N 514.503 5.298 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(F)cccc1I 2282896842 MVJMCKPDEPTAKT-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)c(Br)c1 2288495159 QBRQHYYXVCPBSO-LLVKDONJSA-N 554.248 7.390 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F 2293715966 AGUKGLRTVYWUPL-UHFFFAOYSA-N 503.961 5.814 50 10 KKGE COc1cc(OC)c([C@H](Br)c2scc(Br)c2Cl)cc1Br 2295420269 BJCMYUDQJKUXQV-NSHDSACASA-N 505.453 6.428 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296500356 KIOICZFXGIZPIR-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1Cl 2296506904 KMORUQHOFFOHIP-VWLOTQADSA-N 502.039 6.330 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)cc1Cl 2296546470 ZHETZSHMTJIUIB-UHFFFAOYSA-N 508.025 7.322 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C=C(C#N)c4nc5ccccc5s4)cc3)cc2)C[C@@H](C)O1 2297476819 UYHHGHATHSRWIJ-BGYRXZFFSA-N 559.669 5.378 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(I)ccc2O)cc1 2297635463 FRTBPMVOPIUTMD-UHFFFAOYSA-N 508.400 5.240 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1 2313518748 QYBSCNNOQIQNCF-UHFFFAOYSA-N 544.776 6.078 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 2313568582 WVSURKZVIXHGJG-UHFFFAOYSA-N 501.151 5.172 50 10 KKGE Clc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314451702 HGJVYYKBYIFDDC-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C1 2314479358 QGXUDZFDRPRSBU-JOCHJYFZSA-N 565.724 6.634 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594139 ZPFOOOYYNLDQPT-RBTNQOKQSA-N 525.674 5.951 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314616518 CMJVLJQSIBECKC-UHFFFAOYSA-N 527.020 6.153 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314618813 UTGIICBDXOVCCF-SANMLTNESA-N 570.693 7.236 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314618956 XJXZCQMLZCSRML-UHFFFAOYSA-N 601.062 7.157 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640782 YYBDNPFNKNKUBQ-HKBQPEDESA-N 552.989 6.895 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 2314729049 SMIBIWCZAFVPDJ-UHFFFAOYSA-N 516.388 5.210 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCCc1ccccc1 2331461117 MLZKSZLYGCXZFR-UHFFFAOYSA-N 524.686 7.810 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361177616 XXKKARFPPPLJRP-SFHVURJKSA-N 520.208 7.901 50 10 KKGE COCc1csc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362234765 IRHVZOFCLLNQTR-NSHDSACASA-N 507.444 6.696 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(OCc3ccccc3F)c(OCc3ccccc3F)c(OCc3ccccc3F)c2)ccc1O 8454802 UCKRWBFNCWYGCJ-XLDFTUSDSA-N 642.630 7.319 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645722 ZFTGEXLAAQVKMC-UHFFFAOYSA-N 505.453 5.908 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1 14832186 WODGVFNDVJNEFL-GOSISDBHSA-N 511.416 5.235 50 10 KKGE O=C(CN1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1ccccc1)N/N=C/c1ccccc1 33354638 LJOPRMFHKDQQRQ-VIVICKJKSA-N 604.508 6.259 50 10 KKGE C[C@@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 33528422 DZRWWGAJKYTFSM-HXUWFJFHSA-N 508.037 5.781 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 38660395 WIWBJTXSSKSGTA-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680508 VDOREUUAZQLWCN-RUZDIDTESA-N 506.961 5.979 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38684457 KXNZUFMKWVYWPX-HHHXNRCGSA-N 504.970 5.640 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813417 BUBXWAPMMNSIFI-MTDXEUNCSA-N 510.934 5.271 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822632 DNBSFTBJNBILOY-INKHBPHZSA-N 512.009 6.940 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826660 FLJDJAZHEPRLJZ-WEMUVCOSSA-N 518.013 6.564 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 59335597 OFOZCLYGSSNTTB-JAIQZWGSSA-N 509.375 6.420 50 10 KKGE CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100129873 JUTLGVNVVMVHAG-IBGZPJMESA-N 550.247 5.057 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212896 RCSCTSZLIPMYFV-UHFFFAOYSA-N 604.526 5.452 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 100237763 IUXSAIRDHLYDRU-SDKVIJGTSA-N 608.476 6.386 50 10 KKGE COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 100918970 IKZVEZNFENVAFC-POZLZBOHSA-N 551.879 6.824 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244974 SNZOISCNJVYFMU-NNHPPCHPSA-N 570.036 7.295 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 101245545 LNWKQBQOEFXMCG-SCHJHDHGSA-N 550.511 7.490 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245614 WUEPNHPJUZAHOD-GOHCDNDPSA-N 538.456 6.375 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337622 QLEYRGYVMRMZIT-RCCHARBYSA-N 560.629 6.821 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 101338665 DMAVAFSCJVORKB-TURZUDJPSA-N 583.714 5.105 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101338918 XVTGUCDDUXDFAL-TWKHWXDSSA-N 562.714 7.198 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340395 JUSOOXFRTJJUOU-OGLMXYFKSA-N 532.575 5.870 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 101367330 HBYPNVAFXWOFTR-OTVRWNPNSA-N 599.470 7.418 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCCC(C)C 101368212 PLGZEGAAHSQSSJ-MHZLTWQESA-N 563.448 6.320 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101368374 XCZCMNFLPJLJPK-NDEPHWFRSA-N 597.495 7.263 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 101374582 MOMWOJSEHHMUAH-WJOKGBTCSA-N 558.631 5.865 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 101375394 GYPXJUYUJCIGBO-GDLZYMKVSA-N 557.603 6.390 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 101375623 HULGOEUBCSHHMB-YTTGMZPUSA-N 556.659 6.419 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 101376366 VFDIBXGHVKRSBF-LJAQVGFWSA-N 533.024 6.420 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380009 BVGWITMXEDQPBG-XFSFLGPDSA-N 581.068 7.072 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)ccc1Cl 101380928 YKWWCEWEFURFHX-HKBQPEDESA-N 571.004 6.569 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384142 QXQXLVSGCGAXDU-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386004 KTCUTCLHMPSGNO-YTTGMZPUSA-N 595.095 7.662 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1F 101386863 GXWFSPGWQAZKPG-LJAQVGFWSA-N 540.522 5.990 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388612 DBPCAFNMJKDACZ-CGKQSPDFSA-N 615.057 7.048 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(Cl)c1 101391090 DYSOSLATNSTYJP-NRFANRHFSA-N 527.816 7.299 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101396090 MPPTWOGHHAUDJC-XMMPIXPASA-N 525.388 6.228 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 101396945 HGQIZDJBDVNKAF-SSEXGKCCSA-N 536.628 7.364 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6ccccc6c5Cl)ccc43)cc2)cc1 101397380 ZRKHFKWCKOLASK-LJAQVGFWSA-N 579.077 7.880 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2cc1C 101398909 ZTLGNIMAKANFLJ-JGCGQSQUSA-N 625.508 8.681 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399688 SZIWUFAYUXMLRY-UUWRZZSWSA-N 614.698 8.082 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102665878 ROEDQMWMNRAZCM-ZUGOUDHMSA-N 528.848 6.712 50 10 KKGE COc1cc(-c2cc(C(=O)N/N=C3\C(=O)N(CC(C)C)c4ccccc43)c3ccccc3n2)cc(OC)c1OC 102980512 AHPBWRLYKDKLNN-MDVFONAFSA-N 538.604 5.064 50 10 KKGE O=C(CCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 105707093 YUJFFHOFPJXTQB-FGGILOIWSA-N 604.751 7.176 50 10 KKGE Cc1ccc(CN(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 110349434 XTQATQYJAWFNPE-LFVJCYFKSA-N 593.627 6.852 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128878771 MSPWFKKWGRLJNP-SECBINFHSA-N 509.908 6.890 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433347 QYWDZHMNNANQLI-XIFFEERXSA-N 631.512 7.346 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 205643028 WOQUMHUQBHGWLH-UEKWBJSISA-N 514.581 6.411 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 205667213 VQIYOFFLWWKFOP-JKNLSWFZSA-N 574.652 7.539 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](CC)C2 209407706 BUQGWMMXJAEAJR-AOMYKUFJSA-N 514.647 6.564 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214278916 OAWJVNJHJJKSEE-HWIUFGAZSA-N 576.656 6.911 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C2=O)cc1OC 214370623 AHKXYPUEYSDKAO-JDCMOKTRSA-N 644.772 7.125 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc(Br)c(O)c(Br)c1 252599963 DNRYLGPGOSDTJW-UHFFFAOYSA-N 609.521 6.841 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2cc(Cl)cc(Br)c2O)n1-c1ccccc1 254349327 NRKVQQFMAQTDID-INIZCTEOSA-N 725.838 6.545 50 10 KKGE CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254484363 LHURBXPXBMIQEG-UHFFFAOYSA-N 522.557 5.217 50 10 KKGE O=C(NN=Cc1c(Cl)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254519261 GPDFGDQYFQWFII-UHFFFAOYSA-N 535.087 6.182 50 10 KKGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)cc1 310712734 DHQZZQSIVWKNQY-UHFFFAOYSA-N 504.920 6.080 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575346885 YPNOPKDREFSCOE-MIJWVJFTSA-N 904.120 8.120 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 575627106 MDCOYASBAZJWKP-QMQVDLOJSA-N 935.155 9.826 50 10 KKGE in-vitro Cc1ccc([C@H](Br)c2scc(Br)c2Br)c(C)c1Br 719615796 YPOLUCRBXYHTDL-NSHDSACASA-N 517.906 7.137 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN(C(=O)OCc1ccccc1)c1ccc(NC(=O)OCc2ccccc2)cc1F 888086505 YIFAIPMMJOQCTF-UHFFFAOYSA-N 552.719 7.739 50 10 KKGE in-vitro COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1 1083844354 XQQSXHPIFQICIV-YVLHZVERSA-N 532.221 6.889 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1 1083939265 NUWRWVPBGBPFPE-RQZCQDPDSA-N 642.118 7.794 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1cccc(Br)c1 1083958305 YGIKNKZOPACWAJ-UHFFFAOYSA-N 563.860 7.454 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 1084069976 BAYOWQOPTJKOII-UHFFFAOYSA-N 637.904 5.859 50 10 KKGE Cc1ccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1Cl 1084274090 RYNHEBZYCRJLFY-UHFFFAOYSA-N 500.755 5.231 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1 1084294095 KCONIMCPSLNVJW-VWLOTQADSA-N 537.454 5.729 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 1084425109 LKDVRWCXMUZTOZ-GDLZYMKVSA-N 557.488 6.874 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084457271 LFIMRCISSZLAOY-UHFFFAOYSA-N 530.993 5.312 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 1084477079 AVHSVGCJAYXRSW-UHFFFAOYSA-N 532.729 6.173 50 10 KKGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1Br 1084586666 IDSSRJROZDTPHQ-UHFFFAOYSA-N 616.339 5.005 50 10 KKGE CC[C@]12C=C(S(=O)(=O)c3ccc(Cl)cc3)[C@H](Br)[C@]1(C)C=C(S(=O)(=O)c1ccc(Cl)cc1)[C@H]2Br 1614719113 GBBGNNCYWHQNMX-GSPCLOLRSA-N 655.257 6.966 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748307 WDAADPMTCVGLPJ-UHFFFAOYSA-N 503.602 5.924 50 10 KKGE CCOc1ccc(OCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1772754230 QPNQUGASAZAVGH-UHFFFAOYSA-N 503.382 5.509 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1848665486 MYCARRQNTBVVPF-SDIKKSMWSA-N 521.295 9.920 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686275 TXDHYRLOTKBDQH-LJAQVGFWSA-N 512.613 7.043 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686678 YKQHDYIUJHNNAJ-HSZRJFAPSA-N 555.824 6.924 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865690568 VBQDJMYYQROQHW-AREMUKBSSA-N 511.025 6.980 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865690627 XNMWTPOOGIWXBH-MHZLTWQESA-N 506.606 6.335 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695132 KVAVFHGJEQVPRV-PMERELPUSA-N 547.058 7.429 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCCCc1ccccc1 1865697208 POQGFKVKWGRXPC-GDLZYMKVSA-N 559.041 6.271 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865697421 RZCWZKJZDHVZTC-XMMPIXPASA-N 557.448 5.986 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Br)c1OC(C)C 1865698451 UHJFRXKHIWCAKD-QFIPXVFZSA-N 537.458 5.983 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702610 BYWGEUWUHFBNRZ-SANMLTNESA-N 551.861 6.997 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865702644 YCTSBWVERQDPSA-AREMUKBSSA-N 526.040 6.266 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1C 1865702742 DCHJLWXNIQKENK-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865703184 PHKNQHPHCFCBBS-RUZDIDTESA-N 514.988 6.398 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703897 IECWRTWFVCCFCK-MHZLTWQESA-N 511.025 6.253 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(Cl)c1O 1865707370 VKMLSYKAMPGNDX-NRFANRHFSA-N 505.361 5.778 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865707552 ZIOCIPHMPLQNMI-KRWDZBQOSA-N 511.287 5.433 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709684 DYJZABHJLIUUQL-VWLOTQADSA-N 571.977 5.158 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865711459 ZAFDOILZZWUYJS-VWLOTQADSA-N 546.986 5.635 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215317 NRDZKUOGFJECIM-CJLVFECKSA-N 504.608 5.725 50 10 KKGE CSCC[C@@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867203012 YSIGJUSBDHBXNO-FGZHOGPDSA-N 534.545 6.029 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)c1 1868364898 HDTZIGOVQXBBRW-UHFFFAOYSA-N 507.663 7.071 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868389681 ZUGREBQTAYOSHJ-OAQYLSRUSA-N 508.489 6.720 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@H]3c3ccccc3)OCO5)nc(-c3ccc(F)cc3)n2)cc1 1868456303 NIMFPZIWUJWLIL-JGCGQSQUSA-N 573.653 7.480 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1 1872744438 RNJSWFDXJACGRX-QVTSOHHYSA-N 515.638 7.832 50 10 KKGE Cc1nc([C@@H](Br)c2cc(Br)sc2Br)c(Br)s1 1980607207 YGVSYJMTCYGEKR-LURJTMIESA-N 510.896 6.285 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 2030223050 SEBYSWHNLCVQAE-ZDUSSCGKSA-N 520.455 6.815 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2COC[C@H]21 2085492392 KSHJNMCQWVQIKJ-RUPFFVNYSA-N 524.272 5.909 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2085495348 QFWKLJAVNDOKKW-NSHDSACASA-N 603.193 7.936 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141469970 YBFKJXYBJMCPFV-GFCCVEGCSA-N 576.746 7.529 50 10 KKGE C[C@@H](C1CCCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475811 RXBGDPNZBKLTSO-MADCSZMMSA-N 582.794 7.999 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)c(C)c(Br)c2)cc1Br 2167397129 XKDJKFODHQUADQ-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Brc1ccc(I)c([C@H](Br)Cc2ccc3c(c2)CCO3)c1 2168654069 PHZPGKSNSBPMAL-CQSZACIVSA-N 507.991 5.667 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)ccc2Br)c1Br 2201071197 PTMCXKDOUASKJU-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE C[C@H](c1ccccc1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398315 TXJGLYSGAJWPHJ-OQPBUACISA-N 590.773 7.976 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207106039 WLXOSDMJOIYUBM-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1c(Cl)sc(Br)c1Cl 2229147850 OQUZQIOANJFVOQ-ZETCQYMHSA-N 528.318 7.912 50 10 KKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@H]1CC1(Br)Br 2233039849 MTIKADGLWJKVAL-SSDOTTSWSA-N 505.863 5.740 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cccc2Br)c(Br)c1C 2253506700 ZAEAIMFTBGFYAV-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE COc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)c(Br)c1Cl 2256329661 PMGWCZRAJKOLHT-QGZVFWFLSA-N 502.655 7.236 50 10 KKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1 2294216853 JBKYGFKYSNTQEU-UHFFFAOYSA-N 545.389 5.047 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccccc1OCc1c(Cl)cccc1Cl 2295669955 QNGCMXXTGHPWHE-UHFFFAOYSA-N 529.445 7.090 50 10 KKGE CC(C)Oc1c(I)cc(I)cc1C=C(C#N)c1nn(-c2ccccc2)c(N)c1C#N 2296649014 ZRCWQXZORWTQKS-UHFFFAOYSA-N 621.220 5.387 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2297456863 GFUQBYFPLGYBAN-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OCc1ccccc1 2297551629 VOTURVBFXZUDST-UHFFFAOYSA-N 526.318 5.630 50 10 KKGE CCOC(O)=C(C#N)[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313506104 YGRHOGUIPLPHJO-BJKOFHAPSA-O 523.407 5.038 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2313568316 ULMPFQBLUDCDOX-UHFFFAOYSA-N 585.535 7.236 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2313571541 YORFCFUJTHLTGP-UHFFFAOYSA-N 592.395 7.555 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592252 OZKCWZTUTUJPTR-MUUNZHRXSA-N 509.675 6.746 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 2314618758 TVFSSUUIXZYTTM-UHFFFAOYSA-N 529.600 5.434 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 2314634844 URROLYWVJGGHQE-YTTGMZPUSA-N 538.644 6.656 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2cc(Br)ccc2Br)n1C 2315626990 IEZBZAMXUWTVJY-SNVBAGLBSA-N 501.842 5.500 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123491 GEUOUHGIEFNIDQ-UHFFFAOYSA-N 521.551 5.071 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5c(C)cc(C)cc5C)cs4)cc3C2=O)c(C)c1 2331393047 IYLHJBNBVQVBQI-UHFFFAOYSA-N 519.626 7.103 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCCCc1ccccc1 2331468419 JRXIOFLNTSAFHF-UHFFFAOYSA-N 508.687 8.128 50 10 KKGE CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2333109902 WPYBDOJHQDQXDD-RDFLMEPJSA-N 556.992 10.171 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2360483898 NJSAUNBXMXFVTG-JTQLQIEISA-N 509.826 6.358 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(Br)c2Cl)c1Br 2362220959 SOJODPLWOHSUJG-JTQLQIEISA-N 570.703 7.904 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362226681 WFPKUIQZYVUCGZ-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(Br)cc2)c1Br 2365182735 DEGPJVSNYYCGFU-CYBMUJFWSA-N 527.876 6.775 50 10 KKGE N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccccc1Br 7003539 ZICJVMGEDYRVAH-YHYXMXQVSA-N 500.972 5.225 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 35062268 CCEJBPNTASLLSY-STZFKDTASA-N 503.580 6.478 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 38606859 OVCSWYMMBZDSJE-WGOQTCKBSA-N 520.614 6.037 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651516 QIELIABEJDGWOY-FATZIPQQSA-N 509.331 5.179 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655792 YZOYVKVKWNKGNO-NRFANRHFSA-N 506.172 6.738 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(Cl)c5)ccc43)cc2)cc1 38686303 GJKQOHDQQRPZMY-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)oc2ccc(Cl)cc12 38688229 VPVZXMQJKNVXFC-HSZRJFAPSA-N 501.882 5.740 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(Cl)cc1 39867626 OFWOIFPGPIBDHJ-UHFFFAOYSA-N 500.961 5.960 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815589 PJJSMCFJFIZLSE-JGRMKTMXSA-N 513.544 6.107 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C)cc1 59680347 HAVZJWPOXPCIEN-MUFRIFMGSA-N 503.396 6.575 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cc2cc(Br)ccc2o1 100054729 XJOPJKOOPJLKPH-LGJNPRDNSA-N 528.200 6.301 50 10 KKGE Cc1cc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)ccc1[N+](=O)[O-] 100103380 VYSRACOHGGKYSW-OPEKNORGSA-N 576.201 5.150 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 100234664 JMPISPHUEHZBNT-SWOYFSSUSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 100236400 MJHROXDFJIYFQO-OSGOCAMQSA-N 561.476 6.544 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2)cc1 101136856 IHNPRJHSOJFUBO-XYRWWDFDSA-N 543.442 7.264 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243027 PWQMRHXURQBUGJ-IYXNLAPBSA-N 550.511 6.859 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101365104 HMGZFCRMXLXCJB-NDEPHWFRSA-N 527.407 6.949 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101366930 FQUKRSIKFJIKQR-XMMPIXPASA-N 521.367 5.294 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378873 MPZASWNUFLQZRP-FLASPHMUSA-N 560.650 6.728 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383247 PVIYZZDZVUCBMR-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc2ccccc12 101392364 NQDGCSAXNBIBTB-DEOSSOPVSA-N 543.431 7.799 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101394804 FBECMXSJABOUES-MUUNZHRXSA-N 597.495 7.407 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101395270 CNAXNASRPRWZQQ-SSEXGKCCSA-N 552.627 6.929 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399255 ILTGKMCTJZPTLN-JGCGQSQUSA-N 607.062 7.728 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 101619641 KSVJKHGUCXDESA-UQRQXUALSA-N 528.561 5.356 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)ccc1Br 101713590 UWCSXPNZVQRZBU-LGJNPRDNSA-N 532.232 5.628 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(C(C)C)cc1Br 101751366 AGUGFIBRAHEZCZ-UDWIEESQSA-N 537.410 5.682 50 10 KKGE N#C/C(=C1/N[C@@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 102735385 ASDUWEGXRQTMRO-NXNWHFDISA-N 536.398 6.143 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 104424671 AMULPBFJOFVMMA-QFIPXVFZSA-N 559.139 6.168 50 10 KKGE O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)[C@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O 105419033 SMIBGHUXYYJKFL-PMACEKPBSA-N 557.194 5.538 50 10 KKGE Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C2\C(=O)Nc3ccc(I)cc32)c1Br 150354066 BANCZIUSASXSGE-UHFFFAOYSA-N 635.094 5.099 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463303 NNPLTKNFWVWGSO-MGBGTMOVSA-N 655.534 8.690 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1Cl 150463842 GMMSWCVTDPCSFP-XIFFEERXSA-N 694.011 9.241 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498092 YRRBBDLGJWKMHK-KBPINPGLSA-N 645.785 5.795 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 169682242 ZODHPXNJFNZLJV-JHYYXSPOSA-N 597.722 9.946 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 206698448 IQYJRRIHQURUKH-OSUOBSAESA-N 509.562 5.538 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1 206700952 QJWTWTVUFXFJNT-PGMHBOJBSA-N 533.606 6.533 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 214358831 QPBQYEJKQDRHMH-ONUIUJJFSA-N 538.623 6.392 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215666415 CXEJHJXCKOQGRK-BMMYBRQLSA-N 618.771 5.452 50 10 KKGE biogenic Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)sc1Br 232344583 NTDLCJCJTCPDAV-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CC(C)N1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(C(C)C)c3ccc(Cl)cc32)c2cc(Cl)ccc21 245267852 MRVQHTABJZDSOV-UHFFFAOYSA-N 641.600 5.965 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253561013 BNZNVSHNOCKKPM-WPEYCHPXSA-N 712.661 7.592 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)C1 254514129 KDBOCECLKIZFHX-XDBZFTIUSA-N 596.551 5.408 50 10 KKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 254746849 LGKKZDRTRWLQAI-QXJWQFGSSA-N 539.705 6.456 50 10 KKGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 254753731 QZYKNVQNXBVJCI-PWJUYXJLSA-N 641.522 5.664 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 254882950 CXDIRZJHSHMAKJ-UHFFFAOYSA-N 553.647 6.678 50 10 KKGE Cc1cc(CCl)cnc1Oc1c(I)cc(Cl)cc1I 311471248 IXEKWZWZGNFTRA-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Clc1cc([C@H](Br)c2scc(Br)c2Br)sc1Br 705421674 ZOJYEMARWCDFET-ZETCQYMHSA-N 530.326 7.235 50 10 KKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)c(C)cc1Br 705437792 JEZZCYYCJRQICR-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Fc1cccc([C@H](Cl)c2cc(Br)c(Br)s2)c1I 721672880 OXTQTMTUOQWRHI-VIFPVBQESA-N 510.391 6.345 50 10 KKGE COc1cccc(C=NNC(=O)c2cccc(I)c2)c1OCc1ccc(Br)cc1 725380316 NQLMILJUNASLHV-UHFFFAOYSA-N 565.205 5.405 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 725393986 OOEYLLSLQBQZBG-JOCHJYFZSA-N 672.155 6.359 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725432176 QCNXEHXCOYZWIL-PMERELPUSA-N 577.537 6.939 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083805111 YUZLCBDCWPRCMA-SUORWQODSA-N 620.771 6.056 50 10 KKGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1Cl 1084057102 KXWSJOSGMHIJON-UHFFFAOYSA-N 538.003 6.917 50 10 KKGE O=C(COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 1084072874 LEVZCSKYPMPMJM-UHFFFAOYSA-N 639.561 5.077 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c(C)c1 1084309246 PVRCMNSFIODQHO-UHFFFAOYSA-N 502.083 7.421 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084322288 GCXVXTXZCSIDNX-UHFFFAOYSA-N 577.706 6.381 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1 1084586714 UDNUFWSHGZVQMS-RUZDIDTESA-N 566.452 5.271 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748766 DKMXQCCGBFJBCC-UHFFFAOYSA-N 555.245 6.690 50 10 KKGE CC[Si](CC)(CC)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC)C(=C1C)C2(C)C)[C@@H](OC)C[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1848440661 STIJGKTXRCUORT-CEPOORRRSA-N 950.208 7.597 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1865685455 IYIYDEKROBUNCW-INIZCTEOSA-N 517.697 6.268 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865688249 NVVQGFQXRRMYHB-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865691657 XUWCHCUDNOLABQ-LJAQVGFWSA-N 552.650 6.923 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865692068 ABDRDWYWAAXHHN-AREMUKBSSA-N 538.604 5.572 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865693960 NEXIWZYQXHSVAW-DEOSSOPVSA-N 517.416 6.853 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694019 TVTAVRMWFBLQNX-LJAQVGFWSA-N 504.634 6.298 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1865699271 PAFVEJSYXDZIAE-VWLOTQADSA-N 526.427 6.615 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccn2)C(C#N)=C(N)O3)cc1 1865700611 YZCZWLGFVHJAJD-QFIPXVFZSA-N 504.377 5.527 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700691 BGFVRXBCZJNUPB-XMMPIXPASA-N 546.986 5.635 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865705429 VTQMGNOCARSGOL-SFHVURJKSA-N 509.315 6.203 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865707243 RQXNEZMGMVWHRX-VWLOTQADSA-N 547.556 6.334 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c2ccccc2)cc1 1866732189 ULTASXYHOYZHPP-UFHPHHKVSA-N 513.619 5.411 50 10 KKGE CCC[C@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867197668 KVUKTLGZYRLIJP-VXKWHMMOSA-N 502.478 6.076 50 10 KKGE CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1 1868207607 PEQXJPLAELWHES-NDEPHWFRSA-N 519.718 8.023 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)c(OC)cc4[C@@H]3C(C)C)n2)c1 1868506211 UQEVATNJGZGXET-HKBQPEDESA-N 567.715 7.246 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)n2)cc1 1868528358 RLQQJGXYWVVKLC-MHZLTWQESA-N 555.707 8.337 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749345 MXTBEQCDVWXYFP-RGEXLXHISA-N 500.234 8.076 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1915287628 ASJZEKUUUAFUAX-IBGZPJMESA-N 500.218 5.282 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)sc1Br 1916374104 GMPKQDBPOPVICH-GFCCVEGCSA-N 526.088 5.325 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1OC 1924601406 LASKMKSNQYPXQQ-JTQLQIEISA-N 549.904 6.537 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]21 1924616492 PHMZCWOULCLYRV-LENIQADQSA-N 543.891 7.153 50 10 KKGE C[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085492163 HBICUUSQPOBYIB-INWYIAFRSA-N 526.332 7.699 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCOCC2)c1Br 2141473491 PMZPAZJNOMNMHM-WRWORJQWSA-N 584.766 6.989 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cccc(Br)c2Br)c1Br 2148754211 ZEQRCFLCOXXZQJ-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Fc1ccccc1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397350 IFXCXFRTNYGXRM-MRVPVSSYSA-N 594.736 7.554 50 10 KKGE COc1cc([C@H](Br)c2scc(Br)c2Cl)c(OC)cc1Br 2279288271 PVNFVSPCVMWLSH-NSHDSACASA-N 505.453 6.428 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 2295669925 LZLPLEVXSZDVRR-UHFFFAOYSA-N 535.600 6.889 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296169473 WLFMZIXIJGWRNQ-HSZRJFAPSA-N 502.527 5.107 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 2297321129 AKKYKUIBVYLXPQ-UHFFFAOYSA-N 519.443 5.217 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521477 QUZMZCDCPJWRHC-UHFFFAOYSA-N 544.199 6.772 50 10 KKGE Cc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)ccc1Br 2313548688 CEPQEDVOVXVYPP-UHFFFAOYSA-N 586.486 7.939 50 10 KKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 2313738620 KOHBHALNFJDPAC-UHFFFAOYSA-N 530.249 7.443 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)c1 2314476876 XIXZGYFEADFVQA-UHFFFAOYSA-N 559.736 5.706 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 2314621130 ZEKLNPZZJJPADD-UHFFFAOYSA-N 550.565 6.009 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 2331325401 VNKBTDXPFNMFET-NRFANRHFSA-N 521.620 5.038 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c2ccccc2)cc1 2331347148 ZNDLEIUFALUABW-UHFFFAOYSA-N 503.627 8.112 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352360 MOTQUWZBRQTAOZ-XMMPIXPASA-N 513.525 5.788 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1Cl 2331480365 LEVBIZRPAFQRCL-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Cc1cc(I)c(Oc2ccc(CBr)c(Br)c2)cc1Cl 2336559136 QMAGYXSQTPXGHT-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338784537 PDXJRMDHRUJSLC-WYOJIJJFSA-N 535.965 7.688 50 10 KKGE COc1ccc(C[C@H](Br)c2cc(Br)sc2Br)c(Br)c1 2338832031 VJRPAGPMTNUYGC-NSHDSACASA-N 533.905 6.723 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2338863050 FBJCBAMBYYVBED-VIFPVBQESA-N 536.287 5.993 50 10 KKGE BrCc1c(Br)cccc1OCc1cc(I)ccc1Br 2341780911 SAINCEUGVUFGDH-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)c1Br 2362225717 QZINCDPNMWDSAG-NSHDSACASA-N 662.154 7.856 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)cc1I 2365596355 UMCJICNJZASCAL-CYBMUJFWSA-N 552.834 7.245 50 10 KKGE ClC[C@@H](Cc1cccc(Br)c1)Cc1ccc(I)c(Br)c1 2377352621 LUFSGBHEYQAMMO-ZDUSSCGKSA-N 528.453 6.456 50 10 KKGE CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(\C)C=O)C5=O)C3=O)C=CC(C)(C)O2 898941 COQAPWLZSHQTKA-PVKLYBQVSA-N 544.644 5.627 50 10 KKGE biogenic,in-vitro CCc1nnc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4ccc(C)cc4)cs3)cc2)s1 8576633 FYFYCAVZIHWPPU-LGMDPLHJSA-N 508.654 5.310 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1 35446013 FIWYWKYJNBFNPI-XIEYBQDHSA-N 510.622 7.792 50 10 KKGE C[C@H](Cl)C(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 35706276 GGQGOUBKDBWQME-FDDCHVKYSA-N 522.030 5.495 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709617 FXLTWJHJTJMVMY-UHFFFAOYSA-N 514.633 5.541 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2)c1cccc(C)c1 40811810 BQSRLUUKPCDDOC-SGWCAAJKSA-N 508.416 5.796 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100164018 LVVRVBZOEXHBQN-UHFFFAOYSA-N 601.361 5.228 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1 100233416 NBWOSWTULQWGID-POBUXNOSSA-N 559.432 5.538 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101231030 VOHKPKBMMPDJCG-RDRPBHBLSA-N 544.586 6.036 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374452 LFHBBNULUKXLLU-HKBQPEDESA-N 554.687 7.389 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378522 PMOWEFXENOULLO-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(F)c1 101393917 ZHOOXBJHVAFDDY-HXUWFJFHSA-N 545.806 7.438 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399466 FAZKNKCKCKNPFV-YTTGMZPUSA-N 604.634 7.522 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 101619586 WPOHMSODBLGGRP-RUMWWMSVSA-N 534.012 6.265 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 102664416 LNOGABMXXRPVRH-WJDWOHSUSA-N 555.414 7.843 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103738612 DCPXJEFXCPOBSV-UIOZLBNSSA-N 608.786 6.391 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 103880600 GKQONUSNORXJQY-HWLOXFRGSA-N 535.647 7.949 50 10 KKGE C/C(CC(C)(C)c1ccccc1)=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 103902737 ZVQAFABRVKPUKN-COEJQBHMSA-N 546.520 6.357 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151472 POQFIXQELVTPIT-FABQOPTDSA-N 544.684 6.524 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566533 DWANEKXOKPXYMV-NFFVHWSESA-N 543.586 6.192 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1 150460109 KOZCLTNVDKRYIU-NDEPHWFRSA-N 663.966 8.886 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C2=O)cc1OC 150498068 ZHIJJQBEBVCMAZ-WYKZWNNJSA-N 705.837 5.812 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 164012688 ZRUYCFLRWPXGNG-IBBHUPRXSA-N 622.515 7.679 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N 164636908 YXLVTXTYCYETMP-FDALDRLYSA-N 666.519 7.281 50 10 KKGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](C[C@@H](Cc1ccccc1)C(=O)O)O[Si](C)(C)C(C)(C)C 196222507 UEVGWVOLUCPPDE-CYXNTTPDSA-N 527.778 6.846 50 10 KKGE CCCCCCCCCCC[C@H](C[C@H]1OC(=O)[C@H]1CCCCCC)O[Si](C(C)C)(C(C)C)C(C)C 198124066 NQGNRUOAOBYLJG-DYIKCSJPSA-N 510.920 10.370 50 10 KKGE in-vitro Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 236171357 CAFZAAWDVWSMJK-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 252621087 MSNVKCQLLQHFMW-UHFFFAOYSA-N 592.515 5.369 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)c2cc(C)ccc2C)cc1 254572859 VZZOITYQDVNRTR-UHFFFAOYSA-N 591.733 6.690 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCc3ccccc3)cc2OCC)cc1 254743660 BLISAGBVNSBHKR-UHFFFAOYSA-N 552.627 6.436 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccccc2O)n1-c1ccccc1 254766380 RWPYAEVNURELNN-GOSISDBHSA-N 612.497 5.129 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024859 ISLUIHYFJMYECW-FLTUUUFBSA-N 588.509 8.930 50 10 KKGE C/C(=N\NC(N)=O)[C@@H](CN(Cc1ccccc1)Cc1ccccc1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 261493155 PYJBIETYXDPCCD-AZGOINAJSA-N 574.681 5.993 50 10 KKGE O=C(OC[C@@H]1O[C@H](Cl)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 503926482 XVLSIQHWHHLLPV-GPJHCHHRSA-N 584.235 6.219 50 10 KKGE Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616584369 BCUPVINMPFMBBJ-DBROXJQOSA-N 803.974 8.193 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)CCCCCC(=O)Oc1cc(C)c2c(c1)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 725237775 QLSYJKBJUYGQTE-LMHBWLOZSA-N 827.244 14.626 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1 725381724 WXHYVJDYPQJEEE-XMMPIXPASA-N 714.338 5.846 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(OC)c(Cl)c4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725426240 PUYPDOQWGXKCES-ZMAZKXACSA-N 699.229 6.697 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 1084053479 UIEBHBMXZGBLBB-VCHYOVAHSA-N 516.222 7.189 50 10 KKGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 1084057832 OUWCJPSBMWQLAN-UHFFFAOYSA-N 549.208 5.697 50 10 KKGE COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084121913 GAJCDTUVBUUTBT-UHFFFAOYSA-N 614.281 6.592 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084187625 IGYMALXTPXIMIX-HZHRSRAPSA-N 638.462 5.433 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1 1084216855 DFPZRMWYPCVCSB-RQZCQDPDSA-N 595.118 7.952 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084274123 GMCZHQZRICFOSN-CXUHLZMHSA-N 675.091 7.327 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1 1084370431 CZSVJCTWJPVPRJ-UHFFFAOYSA-N 525.652 7.524 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084382354 GAASJXKTAOFSHD-UHFFFAOYSA-N 670.542 5.128 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1 1084483996 MJIDAZFXHKKASK-UHFFFAOYSA-N 628.467 5.280 50 10 KKGE O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088715244 DBIQCMAVPZDPMR-UHFFFAOYSA-N 502.612 6.340 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(C(F)(F)F)c5)c(C)c43)coc2c1C 1772752105 UPDYSMULOYEDEF-UHFFFAOYSA-N 537.538 6.621 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865693177 HZALVEJCZRYBGF-NDEPHWFRSA-N 506.606 5.690 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865696202 CROHNIBZGNFSKB-NRFANRHFSA-N 532.950 6.009 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703741 DMXDXAUSTHGWSY-SSEXGKCCSA-N 533.031 6.844 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704444 VZDQPDOGGKRPNW-AREMUKBSSA-N 531.443 6.598 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704566 YVRQLTJTKXMEBQ-HHHXNRCGSA-N 577.468 6.556 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704608 ZVDIRZVVCDPKNL-PMERELPUSA-N 516.576 6.329 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706138 OQVLIQAUXDCRKY-NRFANRHFSA-N 504.333 5.972 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706560 ZJRHYFYFBQKANG-IBGZPJMESA-N 514.767 5.367 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1866128831 OMGOLRXPPDVRTD-RBFDBLARSA-N 501.446 5.994 50 10 KKGE CC[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128856 UMWBRFCKSRQGSP-DFBJGRDBSA-N 582.520 5.986 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4cccc(Cl)c4)CC3)nc(-c3ccccc3)n2)cc1 1868365093 KJEBOVRBCNCUEU-UHFFFAOYSA-N 514.054 7.162 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872752271 UQKUAVULRNEKJE-GYHWCHFESA-N 510.531 5.741 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872753471 YTJYECAWHLSZKA-DMJQWXIHSA-N 500.805 6.967 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccccc1C 1872792793 RGFKHXTVZZXMGR-JFLMPSFJSA-N 508.687 8.394 50 10 KKGE CCCC1CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1878039381 OOGHWIJQKFDLIB-AMUVOQDHSA-N 537.981 8.078 50 10 KKGE FC(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1894330969 HAAIAKSDUMVIND-GDGKWOGESA-N 503.826 6.373 50 10 KKGE Brc1cc(Br)c([C@@H](Br)Cc2ccccc2I)s1 1922883547 PFVIKZFYFGNGLB-QMMMGPOBSA-N 550.879 6.556 50 10 KKGE Brc1ccc(I)c([C@H](Br)Cc2ccncc2Br)c1 1924053027 QECBROWQERVKQX-LLVKDONJSA-N 545.838 5.890 50 10 KKGE Cc1csc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 1950887446 DXGNQBOJARQHPW-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C(=O)CCl)c1I 1951937335 KFSBEBYJALUPJN-UHFFFAOYSA-N 647.416 5.269 50 10 KKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059267224 MYELEXPHWSCUQO-UHFFFAOYSA-N 511.301 5.023 50 10 KKGE Clc1cccc(Cl)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399455 HRMKKUNKSQQEJN-ZDUSSCGKSA-N 631.609 8.528 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401610 YIGQTXMTPHRIPO-KVQBGUIXSA-N 608.710 7.761 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2sc(Br)cc2Br)c1 2217420920 MFLJGQWFUWPMAL-NSHDSACASA-N 550.879 6.670 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cscc1Br 2219923134 ONIDJPVAABPNDQ-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2232159981 DRBDATMFEHPMRK-MRVPVSSYSA-N 528.318 7.865 50 10 KKGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@H]1CC1(Br)Br 2233042884 YXBXPVHLZWRLQR-SSDOTTSWSA-N 536.408 5.067 50 10 KKGE C[C@@H](C(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2247466602 BQXRYXJINGDYHQ-WVBDSBKLSA-N 564.682 7.074 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 2258094413 GLNWRBJMTSFCRO-LLVKDONJSA-N 521.869 6.967 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2283575301 UZELWPULSPGIOT-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 2294155966 SQJGTMKHNJETFE-UHFFFAOYSA-N 650.254 6.419 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1cc(C)ccc1C(C)C 2295201810 FMANZRRZOITBPO-UHFFFAOYSA-N 541.673 7.130 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(=O)OCC)c1C 2296790211 WVGPZSPNRUKQII-UHFFFAOYSA-N 529.643 6.829 50 10 KKGE Clc1cc(I)c([C@H](Br)Cc2ccccc2Br)s1 2301086892 SHKBSKFPEKNQNF-SECBINFHSA-N 506.428 6.447 50 10 KKGE ClC[C@@H](Br)[C@@H](CCl)OCc1ccc(I)c(Br)c1 2306295805 CRRLVXJQFUYYEH-MWLCHTKSSA-N 516.826 5.180 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1 2313510861 AJAGVNAVOAWWBL-UHFFFAOYSA-N 518.367 5.463 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1 2313521510 SVHHRJXBNGAHSC-UHFFFAOYSA-N 572.830 6.695 50 10 KKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2cccs2)cc1 2314433099 JMIMUASAIWXRDU-UHFFFAOYSA-N 572.693 6.404 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)sc(C)c1C 2314482627 QDPDGDOEZOSPED-PMERELPUSA-N 574.706 7.443 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592032 KHTWPSOPDRXDCV-VWLOTQADSA-N 535.591 6.641 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592376 SBEBDVZZBXRBOL-VWLOTQADSA-N 502.039 6.276 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593896 VQMCVZKCZDFAIJ-RUZDIDTESA-N 502.039 5.645 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314618254 KFBQRQAVVNCTFS-UHFFFAOYSA-N 520.589 5.693 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc(OC)c1OC 2314634319 BZPPNEZFSCAWEK-AREMUKBSSA-N 518.953 5.203 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634723 CZGUKHGOSHHKIH-MGBGTMOVSA-N 566.698 7.399 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 2314796034 QIXOSVHWJYJIDE-UHFFFAOYSA-N 571.468 5.111 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)co1 2317410460 KODNQHCSBIAQPO-JTQLQIEISA-N 505.801 6.499 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254553 AGIAJMVYICRNLU-UHFFFAOYSA-N 500.234 8.076 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 2331434770 XKLUKFGUOMRDSL-UHFFFAOYSA-N 513.457 7.223 50 10 KKGE BrCCC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349851126 ABPHBWKZIOYZNK-LBPRGKRZSA-N 501.044 5.441 50 10 KKGE COc1ccccc1CNC(=O)CS/C(Nc1ccc(C)c(C)c1)=C(/C#N)c1nc2ccccc2s1 3220782 BNARESHNFRYNOK-QYQHSDTDSA-N 514.676 6.276 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 33709984 RHUVKWAWJIYLMK-CYVLTUHYSA-N 514.969 5.701 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)cc2)cc1 38650666 ZQYHAKFEQRWYHS-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 58891646 YJDCZFOENPUTAW-WRIMGEDOSA-N 525.443 5.699 50 10 KKGE O=S(=O)(c1ccc(Nc2ccnc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 100099004 GGVFZTYMNJIKGN-UHFFFAOYSA-N 500.451 6.095 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245767 ZPHKGMGOWSXABE-RAMZYJDASA-N 586.035 7.131 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101335614 VRQXMYWLOGEMIG-VUTHCHCSSA-N 593.083 6.400 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368435 INIWXRMLUHMIHM-JCOAXYOVSA-N 556.659 6.274 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101373952 VPIIEQHZTNVVMH-GDLZYMKVSA-N 559.575 5.375 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380662 KVYMTGWNQIVGQS-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384638 XWYBARSYPMHGIW-SSEXGKCCSA-N 591.422 6.914 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101385252 MGLDWGXCNGACKL-SSEXGKCCSA-N 563.566 5.928 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396775 CUHUARTUVVSWSQ-XMMPIXPASA-N 565.478 7.824 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)CC1 101398948 VVQSHQNIPDPMPR-WQMAOOLXSA-N 605.562 8.693 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)cc(Br)c1OCc1ccccc1 101713671 AZGFXJWICMRCOU-LGJNPRDNSA-N 548.231 5.328 50 10 KKGE CCc1cc(C(=O)Nc2ccc(/C(C)=N/NC(=O)C3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)cc2)cs1 102362413 GXCJXYIFHABMSN-NJZRLIGZSA-N 566.749 5.121 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 102685498 AXOOJEYTOTVFQL-LGMDPLHJSA-N 535.387 6.046 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(/C)c3cccc(C(F)(F)F)c3)cc2)Cc2cccnc2)cc1 102831033 OLMPQDBQNJAOIW-IPHFVPNQSA-N 596.631 5.654 50 10 KKGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2c3c(cccc13)CC2 103748615 WXUJKRHMFWYPEG-KBVAKVRCSA-N 548.064 5.087 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccco3)cc2)c2ccc(C)cc2)cc1Br 103749473 GPRBGRDZKORLRX-STBIYBPSSA-N 582.476 5.519 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 105082508 IVHSQYVBJQVPHS-LICLKQGHSA-N 550.667 7.842 50 10 KKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 106922405 CUNUZCBFPIPHIA-NVNXTCNLSA-N 556.328 7.013 50 10 KKGE C[C@@H]1Oc2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(cccc2P(c2ccccc2)c2ccccc2)O[C@H]1C 135802275 YWPVXJWTXWXPFK-KYJUHHDHSA-N 608.658 7.418 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150430722 BZSZCDPOENJLOZ-UHFFFAOYSA-N 657.197 6.926 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433181 OYAFKNMSFZZKNU-MGBGTMOVSA-N 665.957 8.136 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 150485141 LINBUHHAWRMIHT-PMERELPUSA-N 635.475 7.556 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 164642477 WIYYDMOQEKSNMU-HASSKWOGSA-N 699.545 7.528 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214347554 COQVYINFPPRONM-JDCMOKTRSA-N 584.720 7.108 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1Br 234994375 AONIWHZOVVAFFO-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)ccc3I)ccc2O1 235413143 JBRZYDWHEKNNGP-ABKXIKBNSA-N 507.991 5.861 50 10 KKGE CC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(C(C)=NNC(=O)Cc2cccc3ccccc23)cc1 254305490 KGXDSVBOYSTBOH-UHFFFAOYSA-N 526.640 6.159 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254607529 KEJUMYIYRJNBTM-UHFFFAOYSA-N 529.681 6.546 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 312324010 HUCDNYGKFGRMQS-AWEZNQCLSA-N 575.409 5.968 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575629522 WNPFVRMVFHRFJI-FEWNNGCESA-N 792.025 7.667 50 10 KKGE ClCCc1nc2cc(Cl)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705605199 PCAKWWZYURUZAP-UHFFFAOYSA-N 514.884 6.596 50 10 KKGE O=C(NC1CCCC1)[C@H](c1csc(C(F)(F)F)n1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237991 OMSRPRXRTKPEPD-INIZCTEOSA-N 513.891 5.553 50 10 KKGE CC(C)(C)OC(=O)N(CCCO[Si](C)(C)C(C)(C)C)CCC(=O)Nc1ncc(Br)s1 725239474 QLAKUKYMBUJIAV-UHFFFAOYSA-N 522.582 5.883 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725391173 HFZJQNDSXXVTRC-ROCBYOHGSA-N 582.144 8.752 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 725394276 XFXOABMTIOXJDH-LPYMAVHISA-N 505.412 6.589 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083907626 FVQBFBZZMLXRTP-UHFFFAOYSA-N 583.557 5.639 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083995846 CHDAHBFIQLVVEY-UHFFFAOYSA-N 717.038 6.361 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1084012841 NZQUWNOPMZQDEC-UHFFFAOYSA-N 504.634 6.147 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1 1084026591 VUZLALDPYCATMQ-UHFFFAOYSA-N 569.058 5.241 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1F 1084301090 XXMULHBVOSVUEY-UHFFFAOYSA-N 545.792 6.729 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1 1084351719 ATHXETSFIIIKKE-DEOSSOPVSA-N 606.432 5.381 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084407559 RIGMZEZLVAAEQM-UHFFFAOYSA-N 618.948 8.764 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)c1 1084571636 WUDOKDKBFJAXRX-UHFFFAOYSA-N 563.679 6.073 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084633590 CJDIPNWPJSNSMK-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749231 YLKPDNNPSGYYKN-UHFFFAOYSA-N 517.929 5.421 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(C)c1 1772755279 YVFZOIXMUMTXNJ-UHFFFAOYSA-N 596.572 7.101 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\[C@@H](O)[C@@]1(O)CCC[C@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]21 1848434264 XDBLYTWRNMYVCA-OLYBEOILSA-N 544.937 8.836 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1O 1865681034 CVXCJJASOSFJPX-HHHXNRCGSA-N 500.558 6.015 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865691148 KLSAXPWWHLUWNE-MUUNZHRXSA-N 536.632 6.013 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865691811 BMCVYSXLNWZRQP-QHCPKHFHSA-N 537.458 5.993 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865693835 ZSGUEOHJOKFJAK-DEOSSOPVSA-N 572.463 6.102 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701154 NPIAGBSUSRCZCJ-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701414 VDKZTAKLACYTBQ-MUUNZHRXSA-N 557.050 6.293 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702429 ABROUYGUZSHXMI-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709487 WBVZSSRCLIPDBD-LJAQVGFWSA-N 575.685 5.277 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713230 UPIANXNTGZDHSE-JOCHJYFZSA-N 534.359 5.981 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715122 WQNNXGPZFFKPKD-AREMUKBSSA-N 538.604 5.165 50 10 KKGE CCC[C@@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867028804 IKWLNRPDZHJNJJ-YADHBBJMSA-N 535.695 5.237 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758195 PGCFRRFFPIEFJC-IRJMIRDBSA-N 518.019 6.225 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915133505 UUMCKYFTIDHZFC-GFCCVEGCSA-N 510.089 6.089 50 10 KKGE FC(F)(F)c1cnc(N(Cc2ccccc2)[C@H](CBr)C2CC2)c(I)c1 1915192572 FDEQATAYZMLQOY-MRXNPFEDSA-N 525.150 5.885 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924593450 DZAJLSLBWUYEKW-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Cc1coc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2085492241 IMIVUHOMLBDQAM-LBPRGKRZSA-N 522.256 6.966 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)cc1Br 2137646192 CONWRRZJNKWCGF-LLVKDONJSA-N 509.872 7.026 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@H]21 2141468826 NZJCKOVHYIHMKR-VRRBYHOISA-N 536.327 7.453 50 10 KKGE Cc1nc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141469653 BPHJSEPZJLLFFT-SECBINFHSA-N 662.659 7.748 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2142279596 SAQAZPZGBFBXBO-CQSZACIVSA-N 518.389 6.639 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)cc2Cl)c1Br 2201077827 KFFYCBWFXSGKNF-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273902 XVFTXHCNRWSCIF-PWSUYJOCSA-N 515.027 5.222 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1I 2212992614 PTOVWGOFXGCPHH-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1C 2221835673 JMRHNBRESRHQLO-SSDOTTSWSA-N 513.929 7.696 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)c(C)c1Br 2235606081 VIPDCVFOEIBSOC-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2I)c(C)c1F 2279140539 YSTDJTUXIOKKFI-CYBMUJFWSA-N 511.998 6.488 50 10 KKGE Fc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1I 2288497135 PNQLSJDZOHWIAQ-SNVBAGLBSA-N 584.793 6.718 50 10 KKGE COc1c(Br)cc([C@H](Br)c2cc(I)sn2)c(OC)c1C 2295426188 OZAPCQGSFQCAIH-NSHDSACASA-N 533.023 5.320 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2295945707 VRZHDYWTAIBHSD-UHFFFAOYSA-N 520.839 7.434 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297488324 OAGDDYYZCRINCJ-UHFFFAOYSA-N 532.909 7.503 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(I)c1 2301795425 UXLJZLPFZJHIRB-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE F[C@H]1C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2307344712 OHHWRCHFKJPJMZ-UDJQAZALSA-N 558.703 6.921 50 10 KKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314487689 HPXXZXXKHAPCCE-UHFFFAOYSA-N 525.800 8.201 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314616834 KRZZOIIOAIQASU-UHFFFAOYSA-N 529.556 5.548 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 2314617956 DRJVKQVQTBYPSW-UHFFFAOYSA-N 540.689 6.060 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314619982 IPRGPEIGKRLLDN-UHFFFAOYSA-N 607.066 5.927 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314620961 XGDWMTVMTMBLOI-OAQYLSRUSA-N 558.613 6.103 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 2314640610 CEJBCNNKVBDGJY-DHUJRADRSA-N 570.689 7.709 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 2314643118 CHIMQCOHEMXGJY-HKBQPEDESA-N 552.989 6.895 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646559 CLEFZUVCBFIIGP-GDLZYMKVSA-N 676.795 5.952 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1C 2331259309 NUCJZPAJDCHDLZ-UHFFFAOYSA-N 515.034 7.866 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331282043 WZVWKCFJJXNHNZ-UHFFFAOYSA-N 501.007 7.557 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(OCC)c1 2331386682 ZOROSRUIKHSEMT-UHFFFAOYSA-N 518.422 6.137 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccccc1 2331443890 JDGREXYOIQADRD-UHFFFAOYSA-N 507.442 8.159 50 10 KKGE Clc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(I)c1 2340065556 LRZHUZMPTJOAQA-ZDUSSCGKSA-N 548.490 7.468 50 10 KKGE FC(F)(F)C12CC([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363912880 KBQGRIOUIKGJFY-VIQWUECVSA-N 506.156 6.576 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14025603 BWWHKWOEIVQJGI-UHFFFAOYSA-N 526.486 5.447 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14645693 YPDDBMICVMZUNK-UHFFFAOYSA-N 511.416 5.381 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38679945 FFAONYTWNLXVLB-QHCPKHFHSA-N 515.780 6.158 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38684506 CHRYIFIMZTXYIB-HKBQPEDESA-N 516.597 6.431 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 38685489 MJSSFVBZDGJKQK-PMERELPUSA-N 526.633 6.872 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034211 PTVYSKHXEGYKIJ-FYJGNVAPSA-N 533.012 7.487 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101307171 IWFKOIXZFOSURU-MHZLTWQESA-N 563.404 5.225 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101337047 QKQVWBNWTONPLH-FXXTWSIJSA-N 522.605 5.098 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101339361 QPURZCBHWMXXCX-WGOQTCKBSA-N 570.617 5.656 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 101339423 NOHNIYTUVQXFIP-NDZAJKAJSA-N 556.666 6.737 50 10 KKGE COc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101341470 GJJCBOBUHQGPAI-SRZZPIQSSA-N 543.403 5.126 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101369064 PXHRGVUAFIEJGX-AREMUKBSSA-N 535.394 5.223 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101375170 BKNPEEWJBHZKCK-WYOOIXGGSA-N 584.713 7.225 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc6ccccc56)ccc43)c2)cc1 101382277 LGUNIGHGGOCBOY-MGBGTMOVSA-N 538.603 7.165 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382775 ZWYVBIJAIWKCPL-GILSBLPBSA-N 565.025 6.765 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388103 QVLMOUAMAFREPH-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 101395658 MCFLTJUQUQDGBQ-IHLOFXLRSA-N 556.615 5.618 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399510 PMXIXULNQPJPOV-JSOSNVBQSA-N 580.568 5.377 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599187 RKZQRKHRLFZSOM-FEZSWGLMSA-N 558.432 6.866 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610066 VUURXYDPDCUKCK-PPFNPFNJSA-N 546.454 7.136 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103929170 JJKZQLHGYRIGTN-VNEWVZTQSA-N 581.098 5.541 50 10 KKGE CSc1sc(SC)c(/C=N\NC(=O)c2cccc(Br)c2)c1/C=N\NC(=O)c1cccc(Br)c1 150357515 NOKGMOCHDUZFFF-RSKRUZOQSA-N 626.421 6.245 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430231 DMJWFVAHODIDQK-JGCGQSQUSA-N 651.930 7.827 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150432036 CSHQWLQFHBIOAY-PMERELPUSA-N 661.538 8.762 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(I)cc1 164725164 ZMXJGTADKAATSY-ODLFYWEKSA-N 650.254 6.338 50 10 KKGE C=CC(=O)CC(=O)C=C(c1ccc(OCCC[Si](OCC)(OCC)OCC)c(OC)c1)c1ccc(OCCC[Si](OCC)(OCC)OCC)c(OC)c1 204590798 IYZBFEOMJJWQHT-UHFFFAOYSA-N 777.069 7.484 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 205782538 VLMAJMWZZJYAIX-QVKATGLSSA-N 648.741 5.253 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214334638 KFGJQGTZYNDYEU-ZLBVPIIXSA-N 556.666 6.990 50 10 KKGE CCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 214389260 QMEQRXMERWAZHJ-XKZIYDEJSA-N 502.567 5.175 50 10 KKGE C[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 229785771 WSRKTDJYRJVWBN-YPYJXCTGSA-N 512.245 6.787 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 252610492 IBQBJOZIYANJQL-ZZMKHARGSA-N 509.437 5.761 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1 254500863 MDDLBJWAUCOOMQ-UHFFFAOYSA-N 543.693 5.800 50 10 KKGE CCCCCOc1ccccc1C=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 254522970 PFMLFKVVNMPSFU-UHFFFAOYSA-N 521.683 5.725 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254567901 VANHGYHEJBQZTF-UHFFFAOYSA-N 582.653 6.201 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)n2-c2ccccc2)cc1OC 254609161 YJOKKTFXSMWTJQ-UHFFFAOYSA-N 609.708 5.782 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(SC)cc3)nnc2-c2ccccc2)cc1 254790920 JKYDMLDKUCHCCK-UHFFFAOYSA-N 503.653 5.297 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019399 ZAJVJHUJEWQAIT-OAUYIBNBSA-N 528.510 6.273 50 10 KKGE Oc1nc2cc([C@@H](Br)c3sccc3I)c(Br)cc2[nH]1 394015620 FLDWCFUFWDPYRV-SNVBAGLBSA-N 513.980 5.181 50 10 KKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 725405917 NPUAJULSFIOFPY-UHFFFAOYSA-N 566.045 6.414 50 10 KKGE COc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 1083847855 QSWXJBKHNYGXGS-UHFFFAOYSA-N 547.902 6.631 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl 1083920338 TXWLOYYDQVDOSQ-RQZCQDPDSA-N 579.221 6.731 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1083988825 CSJABEBRAWFZKJ-UHFFFAOYSA-N 534.863 5.147 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 1084024342 ZCTPNABZJGEMFX-UHFFFAOYSA-N 595.519 5.565 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(I)cc1 1084119619 AYHVRTNJCNJKAO-UHFFFAOYSA-N 540.357 5.779 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCC#N)c(Br)c2)cc1 1084155439 WPDLCDPISGYUAS-UHFFFAOYSA-N 513.395 5.882 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084206234 POBQAXRKDPCLHV-JOCHJYFZSA-N 515.379 5.140 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1084239041 AEQUQYDJGGLQHE-DEOSSOPVSA-N 529.406 5.530 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084390102 QKXVHDHMMFRTDH-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F 1084557330 HGSDEJGSUWCUBE-JAIQZWGSSA-N 509.375 6.338 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl 1084581119 OATHANXZZMBFEV-UHFFFAOYSA-N 514.075 7.543 50 10 KKGE CCOc1cc(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)ccc1O 1565517966 MNIPTICUYAESFM-UHFFFAOYSA-N 503.602 6.620 50 10 KKGE CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=c1cc(-c2ccc(OC)cc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 1565518356 BIXWNJRABNGOMN-SANMLTNESA-N 575.706 6.372 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCc5cccs5)c(C)c43)coc2c1C 1772751433 BSXKFABJJUQWOY-UHFFFAOYSA-N 503.624 5.384 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752417 JFVWYNHFNWAPQL-UHFFFAOYSA-N 656.556 6.074 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 1848433390 LGYWRDLXHKTNGB-XIGNJEKXSA-N 992.494 9.320 50 10 KKGE CC1(C)COC(CC[C@H](C(=O)N2C(=O)OC[C@@H]2c2ccccc2)[C@@H](Nc2ccc(F)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccc(F)cc2)OC1 1848437294 ILUMERHNJVSKQE-PQRPKFJBSA-N 770.990 10.545 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688071 IBQNELPWXZOKGV-NDEPHWFRSA-N 541.051 6.326 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865688821 BUDZECOEGFTMPS-LJAQVGFWSA-N 528.612 6.708 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689253 NOMHDBNQUDPZHA-MHZLTWQESA-N 561.469 6.606 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689624 UPLDEHCCKYZRKY-HSZRJFAPSA-N 537.378 5.977 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865692643 HFMQVBSJBXULOM-RUZDIDTESA-N 526.568 5.372 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700675 ATDOMVZUIKQHGZ-VWLOTQADSA-N 547.840 6.394 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)c1 1865700772 DDZJAQBPVBHVMP-RUZDIDTESA-N 564.995 7.018 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704522 XXLPGUCYMJIGIU-AREMUKBSSA-N 549.433 6.737 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1OCc1cccc(C)c1 1865706435 WOLMBNWBPQHUPT-XMMPIXPASA-N 564.539 6.204 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865707224 RHXJCHUBEKSMAG-PMERELPUSA-N 558.085 7.437 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CC2)cc1 1868301097 KNOSBSNDENNWOV-UHFFFAOYSA-N 550.732 6.532 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 1868320570 LAPMCHXEWJOROB-DEOSSOPVSA-N 520.687 7.720 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1OC 1868364956 JEUSYTJNOWFFHK-UKILVPOCSA-N 539.661 6.180 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@H](c4ccccc4)Cc4ccccc43)nc(-c3ccc(Cl)cc3)n2)cc1 1868434060 WDLNDCPTMCPJQQ-RUZDIDTESA-N 546.099 8.592 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)C2 1868479887 CPWOUGAFWJVMLM-UHFFFAOYSA-N 501.656 6.341 50 10 KKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1868544808 KYVXKFWJYIWETF-JOCHJYFZSA-N 554.789 7.703 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C(C)C 1872753760 LSFZGEJUWYZAAU-QLYXXIJNSA-N 504.612 6.709 50 10 KKGE Cc1cccc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924593105 CFWNMMVMXXPIRR-JTQLQIEISA-N 538.324 7.435 50 10 KKGE CN([C@H](c1ccccc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@@](=O)C(C)(C)C 2080751324 NYESSIWTNJZMIH-NLZDTVHJSA-N 617.795 8.360 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccccc2I)c1Br 2083338037 LTPCYLVEDTVEEY-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Cl[C@@H](c1csnc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085493616 DRSVIUHGSAYRFH-VIFPVBQESA-N 604.181 7.284 50 10 KKGE Fc1ccsc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495192 INXJFUXIHAKQBR-JTQLQIEISA-N 542.287 7.265 50 10 KKGE Cn1nc(COc2c(Br)cc(Br)cc2CBr)cc1Br 2111922636 KWOAKYXQTAZAMB-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE COc1cc([C@H](Cl)c2csc(Br)c2Br)c(OC)cc1Br 2150344452 LNDXMQRFELMPDY-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE COc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 2168413445 RNLZHYBSTRXGNE-SSDOTTSWSA-N 507.444 6.753 50 10 KKGE CCc1nc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 2169486992 AFUYCDUKCPTLIJ-NSHDSACASA-N 529.035 5.492 50 10 KKGE O=S1(=O)CCc2cc([C@@H](Br)c3cc(Br)sc3Br)ccc21 2170069038 XLZCJUNZJFPJHI-GFCCVEGCSA-N 501.059 5.087 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 2202351500 JBZMHFZZAMVTSV-CQSZACIVSA-N 503.843 7.011 50 10 KKGE CC1(C)CO[C@@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394499 HJBPJJGIJDWFAQ-XVKPBYJWSA-N 554.342 7.222 50 10 KKGE C[C@@H]1O[C@@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206396840 BKZZOFQQLNDOLE-HIZWJCBPSA-N 552.326 6.974 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405538 MBWSKMQLNVWXTE-CQSZACIVSA-N 611.191 8.136 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)CC1 2234072575 ZNEXHPDPGVAFGS-MRXNPFEDSA-N 511.689 6.527 50 10 KKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2I)sc1Br 2256056015 QNKDNDROSWJQIX-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE CCCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 2268141722 JDGGPUYLEHPODL-NSHDSACASA-N 531.933 7.472 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 2280676728 IWEJKAJBZJSLFP-MRXNPFEDSA-N 525.904 7.582 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3OC)n2-c2ccc(C)cc2)cc1 2293738379 JLVZMXZDOFCRCG-UHFFFAOYSA-N 513.623 5.167 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1 2296506889 JTJWCCRGXXZMTF-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2297458550 ATBPDAQZZCEECS-JOCHJYFZSA-N 601.295 6.416 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2297458559 CFIXAAZZMJWZGT-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2300954776 BWMWLXPTGRNDKS-JTQLQIEISA-N 573.846 6.748 50 10 KKGE ClC[C@H](Br)[C@@H](CCl)OCc1cc(I)ccc1Br 2302818452 DVPNRZCFLAOPQY-WDEREUQCSA-N 516.826 5.180 50 10 KKGE Cc1cc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Br)c(C)c3C)o2)ccc1Br 2313549373 UTVDIXBIVGFXFN-UHFFFAOYSA-N 514.217 6.943 50 10 KKGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617002 OSVGOEVARJAOOF-UHFFFAOYSA-N 512.993 5.763 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 2314793454 SPZIPVTUHHLWIZ-UHFFFAOYSA-N 539.451 6.607 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)cc1C(C)C 2331353885 IJKFHTQSRNKCFD-UHFFFAOYSA-N 515.635 6.452 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 2331421233 ALKFLMBIHHZODI-UHFFFAOYSA-N 513.457 7.223 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)c(OC)c1 2331473134 HOULKVCFGWSHOC-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1c(F)cccc1I 2338023450 HJOKCHGBAWLNJW-AWEZNQCLSA-N 518.027 6.691 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1 2339673660 CTDLXKYZRFRMIR-GFCCVEGCSA-N 515.840 6.906 50 10 KKGE CC1(C)CCN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2349838453 ZXQQZESULXXRHB-LBPRGKRZSA-N 501.044 5.297 50 10 KKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362241577 YCUYIJWHTFNFFM-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc2c(cc1Br)OCCC2 2369622380 WBMLCPUBXHYSCT-LBPRGKRZSA-N 501.465 6.736 50 10 KKGE COc1c(F)cc([C@H](Br)c2cc(I)ccc2Br)cc1F 2370457785 SEVUGTRAQWZXPF-ZDUSSCGKSA-N 517.933 5.825 50 10 KKGE COc1cccc([C@H](Br)CCc2ccc(I)c(Br)c2)c1 2377340429 RQKJOIJXPNGWPX-CQSZACIVSA-N 510.007 6.131 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1OCC 6167471 SUXDAHSLRUDPHK-IDBQEEKWSA-N 621.756 6.161 50 10 KKGE CC/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(O)cc1 12491478 GUKCBDBPRAUTNF-HKOYGPOVSA-N 506.194 5.380 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655584 QJYFZXKJUWIBQW-MQNRADLISA-N 509.389 6.147 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 38677611 HCPGZFISJVHFHX-IBGZPJMESA-N 516.422 5.147 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 38700809 MQEUBIIBCJTKCE-LJAQVGFWSA-N 522.601 6.920 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 58894836 NQUUBASSIPNEDV-MWEZWSPGSA-N 505.618 6.205 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 100233375 CNEONJHGJHXBFM-OVNXQDIVSA-N 610.332 6.706 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 100288106 VDLAPMCNAZCOBE-ZDUSSCGKSA-N 545.261 5.215 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 100327180 PPXUPKHWBRTHPM-WUKQQSQZSA-N 547.449 6.154 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 100452483 HRPDZYATXGFFMB-MGCJZSHXSA-N 590.268 5.453 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244745 UTYRBCACOVAJQY-NLTRVXJZSA-N 538.456 6.457 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245457 XNQHOIYDAOKDOX-UZEPBSNMSA-N 546.490 6.385 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101337103 QNGQYVIYFGGBFR-RZZUAFPKSA-N 543.023 5.363 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 101341376 IEPQFLRIKUOXEY-TURZUDJPSA-N 552.631 5.264 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101368004 PLBDAZQLGPVGMF-MHZLTWQESA-N 529.549 5.610 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc6ccccc56)ccc43)c2)cc1 101382281 LGUNIGHGGOCBOY-XIFFEERXSA-N 538.603 7.165 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1Cl 101391122 ORPDSJSWEZIUAI-QHCPKHFHSA-N 529.807 6.873 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c(OC)c1 101392224 DKPCQUPCFHBFDR-VWLOTQADSA-N 561.388 5.958 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399537 VVFOGUXSBLDOQX-WJOKGBTCSA-N 611.025 7.559 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 101680652 PPKTWHJICOITHD-KGENOOAVSA-N 539.415 5.990 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 102933419 GJPDEEGIFYOPBI-UNOMPAQXSA-N 569.355 5.723 50 10 KKGE CC1=Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2C(=C(C#N)C#N)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 103538389 LRMYFQVQZIEKQU-UHFFFAOYSA-N 587.832 6.684 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806367 YAUGGNMNKCEREP-WSSNQXTLSA-N 611.661 5.137 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(I)cc1 103888383 VFEVWPGNVAGCOP-NDENLUEZSA-N 617.281 6.886 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12 103890506 XURUTPJYTWRVDX-BKUYFWCQSA-N 596.308 8.432 50 10 KKGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)n1 103932089 UNHOSEUGJJGDSC-XIEYBQDHSA-N 564.696 6.661 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150414314 NUYQHRQYUDJOQI-NRFANRHFSA-N 658.749 7.954 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 150422112 LASBURBSDYYXPF-UHFFFAOYSA-N 631.552 5.581 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cc2OC)cc1OC 150442343 HQWBLJAUEYPIEZ-KMUKQRDJSA-N 640.490 6.673 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 150485016 XDUDYURPYVSQNX-HKBQPEDESA-N 631.454 6.378 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 150662838 LBJUPSMIWPSTJL-MOSHPQCFSA-N 634.255 6.583 50 10 KKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 164558331 GOJMWEOWXUPXLA-GFCCVEGCSA-N 523.899 7.463 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 219384180 SPHUIJWPZSWHEE-KVWMRWRGSA-N 510.923 10.671 50 10 KKGE Brc1ccc(I)c([C@H](Br)Cc2nc3ccccc3o2)c1 232480239 VMCXFQFJYLLAPF-LLVKDONJSA-N 506.963 5.874 50 10 KKGE C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 252591164 AYDNSUMACJQNKJ-GOSISDBHSA-N 537.841 6.752 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc1 254290838 BFXZHNVRQGDHCN-UHFFFAOYSA-N 527.653 6.792 50 10 KKGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 254302158 AGXQMJNXMNARHK-UHFFFAOYSA-N 637.334 6.033 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254312192 UCIRXFMNXGCVON-UHFFFAOYSA-N 520.582 5.021 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cccc([N+](=O)[O-])c4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 254742757 SKHFGGLUJKSTAS-ZODNTCIQSA-N 679.755 5.944 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 263625610 KNQCUGPXESRTMN-UHFFFAOYSA-N 544.607 6.654 50 10 KKGE Br[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 309690519 CTKLYOLUBMYRCT-HBEMUUHUSA-N 589.526 7.037 50 10 KKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CC[C@H]3/C(=C/[C@H]4C5=C(CS4(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C5)CCC[C@]23C)cc1 605692253 IIIFNYBSFCNRAE-DHDLDDMNSA-N 793.294 10.147 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(F)c1Br 691638081 YFYSVIVVINFZNB-LLVKDONJSA-N 566.803 6.579 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 1082591759 BTWRLONRLCBMRK-LJAQVGFWSA-N 523.036 6.533 50 10 KKGE O=C(NN=Cc1cccc(OCc2cccc(Br)c2)c1)c1ccccc1OCc1ccccc1 1084069359 HMTOIDNAWLJVSY-UHFFFAOYSA-N 515.407 6.371 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C)cc1 1084099636 NXFCLLQWQWWCCI-UHFFFAOYSA-N 554.384 6.087 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084218928 FHKZLPUERWXRIF-YZSQISJMSA-N 631.368 7.200 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084294871 YAKODMWQOBDYJP-QHCPKHFHSA-N 511.962 5.190 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084340291 GKAXLOCAAKTYCP-UHFFFAOYSA-N 578.090 5.663 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)Nc1ccc(F)cc1 1084376459 NXSUZOZKCFGBLB-UHFFFAOYSA-N 527.621 6.041 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084446491 ICQCYPVWABIYEG-QFIPXVFZSA-N 662.149 6.903 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccc2ccccc12 1084450154 BOVSSLILQDSLAW-UHFFFAOYSA-N 512.201 6.047 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](C)Br)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537962 CZPMLPQARRFNQN-UHTQTHKQSA-N 537.692 9.728 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749328 TYPQEAFRQINLON-UHFFFAOYSA-N 555.034 5.305 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc6ncccc56)c(C)c43)coc2c1 1772752053 ULJHYMYNLUZLOE-UHFFFAOYSA-N 520.589 6.151 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1772753969 KARUFRGEDQMYFS-UHFFFAOYSA-N 587.514 6.892 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1Cl 1772755192 TZEOWYJAOCQPTB-UHFFFAOYSA-N 651.435 8.100 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684380 XWNNZQCVUPEVDR-DEOSSOPVSA-N 532.431 6.139 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865688446 SEAZXWJIEJRGQA-DEOSSOPVSA-N 527.452 6.537 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689075 JHPOERKKZWIRGR-QFIPXVFZSA-N 549.812 5.888 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694619 XZADKLOVQJQGPF-GOSISDBHSA-N 509.315 5.874 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865695791 TUDRSHQMZUGZMP-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1O 1865697043 VGKREKRLXHUXIC-MRXNPFEDSA-N 555.738 5.298 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865697362 QKYRTBJOCYSHCE-HSZRJFAPSA-N 574.435 5.331 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701508 XDEBIVAAJXXLQJ-HHHXNRCGSA-N 561.469 6.606 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702317 SHAKFXTWAQTWCY-QHCPKHFHSA-N 549.375 5.866 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865702935 IQNIBYVXWOVGSY-SANMLTNESA-N 511.025 6.657 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865703089 MUBXQXOQULMEJF-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704732 CQJZUSDTLCKWQB-AREMUKBSSA-N 510.569 5.751 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706336 UFNOCQNFTXHUBH-HSZRJFAPSA-N 548.386 6.040 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(OC)c1O 1865714542 MPHXLCZJGUKDRX-QHCPKHFHSA-N 514.969 5.193 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866938189 BWDLHKFJBXJSHD-DSITVLBTSA-N 505.640 5.559 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866966081 SDYGPCOWIHVOOR-IHLOFXLRSA-N 557.716 6.414 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866986291 ZVHNIBPWKDLACZ-DQEYMECFSA-N 542.488 6.378 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)c1 1868413904 FVFFTIXCRJGUCD-UHFFFAOYSA-N 535.076 8.156 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4ccccc4s3)nc(-c3ccccc3Cl)n2)cc1 1868414180 JXZFJFWKDDUHBC-QHCPKHFHSA-N 541.105 8.065 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)cc1 1872743986 BZEBSEWQIQKRMB-UZYVYHOESA-N 503.849 7.440 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872781207 YFINXDAEICMUTI-HZHRSRAPSA-N 519.667 6.227 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1occc1Br 1899864453 QXLJXXOBIOONJT-KRWDZBQOSA-N 501.012 6.868 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)s1 1922893562 WUTFWWKGBRHYRR-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(Br)c2)c1Br 1922939396 HSYJLKZNKYEMGZ-SNVBAGLBSA-N 503.879 6.828 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(I)cc1 1923047431 BIUYIXHBYSNPTK-MRVPVSSYSA-N 571.297 7.015 50 10 KKGE FC(F)(F)CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924570484 KEBLYAPPYQWUQQ-SSDOTTSWSA-N 505.419 7.438 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924604780 HWPJPEAQPVOCNO-ZXFLCMHBSA-N 509.927 7.298 50 10 KKGE Brc1nscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1925272648 YWNUCVVDPVQLJX-SCSAIBSYSA-N 575.765 6.739 50 10 KKGE FC(F)C(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Br 2001804658 FTDIGGUIYOJZEV-REOHCLBHSA-N 527.795 6.762 50 10 KKGE Cc1oc(C)c(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1CBr 2009622392 PVEJISSXRMONCJ-UHFFFAOYSA-N 505.478 5.114 50 10 KKGE CC[C@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034338758 JJCFIIGEPGQRPI-VIFPVBQESA-N 505.379 5.087 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2094090055 CULVHXHXBUEWCQ-CQSZACIVSA-N 513.849 6.467 50 10 KKGE Fc1c(Cl)cccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2113471692 UEGRULYDFUUCGD-ZCFIWIBFSA-N 556.314 7.507 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)cc1Cl 2136697975 VQYYXIFQFRAHEU-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCOCC1 2141468720 MXAITDFJWJLMSY-FUXBKTLASA-N 540.315 6.833 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1c(Br)cccc1Br 2150489570 SGRJDGCNDBDGNT-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE O=S(=O)(CCC(CCl)CCl)Nc1cc(Br)c(Br)c(Br)c1 2160952746 NADMWPRRTYFLFY-UHFFFAOYSA-N 532.907 5.200 50 10 KKGE COc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)ccc1Br 2203683969 FXGDETODKMOTRZ-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE O=S1(=O)C[C@H]2C([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206398772 YTIXMZUOAXZLGL-QKCHBMAPSA-N 616.789 5.463 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23CCC(CC2)OC3)c1Br 2206400528 CPSPUUYKKREYDX-MBWFCSIISA-N 596.777 7.132 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)c(C)c1Cl 2224307025 JVJPEUUESPKBIF-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2232581271 NFKPNKNMMSLFIF-RDSNPXOSSA-N 564.259 7.605 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(C)c(I)c2)cc1C 2236007253 IQNGFPHKQLITED-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE CC1CC(CC[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2274618421 BFEUAYNUNHWLQO-OIAXGBPSSA-N 538.343 7.843 50 10 KKGE FC1(F)CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2277735076 RGWGJJLGOZVDTJ-MLUIRONXSA-N 590.720 7.608 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(Cl)c2Br)c1Br 2283186436 CGLDQCGXLXGTNH-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)c(Br)c1Cl 2283558068 HJKVKGNGQRTBOT-LLVKDONJSA-N 548.294 7.120 50 10 KKGE CC(C=NNC(=O)CCn1c2ccc(I)cc2c2cc(I)ccc21)=Cc1ccccc1 2293707256 OOAKQVLAPWJUGP-UHFFFAOYSA-N 633.271 6.599 50 10 KKGE CCN(CC)c1ccc([C@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 2294347167 PKRIWWFLUPLBBU-LJAQVGFWSA-N 603.210 5.181 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296506784 FAWBCNBJJNIXBQ-VWLOTQADSA-N 536.484 6.984 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296506862 IOMSFXYLSCBLFC-QFIPXVFZSA-N 524.429 6.067 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507012 PHHRKJBYYFUAEA-NRFANRHFSA-N 563.293 7.365 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=Nc3c(C#N)c(C(C#N)=Cc4cc(Br)c(OCc5ccc(C)cc5)c(Br)c4)nn3-c3ccccc3)cc2Br)cc1 2296789702 YRZFEYCLXZNQLH-UHFFFAOYSA-N 955.343 12.384 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2ccccc2c1 2313567749 NZWRBXYYBWWCGU-UHFFFAOYSA-N 643.525 6.678 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313643896 FYEKPLSDGURXMI-UHFFFAOYSA-N 599.754 7.626 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)c1C 2313667354 LNERMKPINOXQHX-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314441887 CRDAFFGGLSPZGT-OAQYLSRUSA-N 572.078 7.425 50 10 KKGE Brc1cccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448146 FJMIIFPVERILPL-FQEVSTJZSA-N 525.078 7.469 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634329 DIPDJGJEHZYFBE-HKBQPEDESA-N 538.644 6.618 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634770 IZMLCYBBFGZXPA-NDEPHWFRSA-N 508.574 5.608 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646771 NEXXZWKKAHIAGR-MUUNZHRXSA-N 648.741 5.253 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3cccc([N+](=O)[O-])c3)c2C(=O)OCC)cc1 2314737671 JBJIFFDLIXFVKF-UHFFFAOYSA-N 519.579 6.225 50 10 KKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603030 YBTLTNFBJJILDC-UHFFFAOYSA-N 524.974 6.112 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1cccc(Cl)c1 2331044379 ASNOHSAMVYYGPN-UHFFFAOYSA-N 517.969 6.048 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 2331278846 NXYFBVIYOKMQPM-UHFFFAOYSA-N 515.432 7.658 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C)cc5C)cs4)cc3C2=O)cc1 2331309112 XUZZUNCYRZYKLO-UHFFFAOYSA-N 521.598 6.182 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccc3ccccc23)cs1 2331339235 PQHWMSWLZXFLSZ-UHFFFAOYSA-N 513.578 6.709 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C(C)C 2331353927 NFZWVARKLIBZOX-PZJWPPBQSA-N 501.652 6.653 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c(OC)cc1Cl 2331377328 KPPALRWNNOMVMY-UHFFFAOYSA-N 503.920 5.356 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331400758 RPXLGLQZLKOATD-UHFFFAOYSA-N 511.455 8.263 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331416554 JIHDVRSVMDUTBL-UHFFFAOYSA-N 516.258 6.984 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336045220 UWLLSDHRKZJKIP-FQEVSTJZSA-N 603.974 8.232 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2338867278 MBESDIYIVIECPS-MRVPVSSYSA-N 584.701 6.094 50 10 KKGE Brc1cc(CC[C@H](Br)CC2CCCCC2)ccc1I 2349835175 IRPOSMPRBICXTQ-AWEZNQCLSA-N 500.056 6.720 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360425726 FJRDYPFQQUBFJO-JTQLQIEISA-N 509.826 6.184 50 10 KKGE FC(F)(F)c1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361179321 VGQNATOWURNJPT-HXUWFJFHSA-N 500.152 7.531 50 10 KKGE ClCc1cc(Cl)cc(Cl)c1OCc1ccc(I)c(Br)c1 2377284869 DFEKMWRHZMEGAI-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12 33919129 ACDRDZDWSKVKSC-AQTGTBOFSA-N 520.629 6.619 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657807 WGDHZWWZPNBYHJ-SSEXGKCCSA-N 504.586 6.846 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660870 AIMADORWFZZPMQ-PMERELPUSA-N 518.569 6.703 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678716 MFKSKVVXMWHUCW-VWLOTQADSA-N 519.395 6.065 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 38679240 VYUAYYSFYCPDKC-MUUNZHRXSA-N 514.578 5.709 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)cc1 40813893 CIHNBHYLQQPXDJ-VFCFBJKWSA-N 510.388 5.390 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 97966572 NNXFYXBEKOYABQ-ALAMRGAJSA-N 563.293 8.015 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 100154475 BMJZTOBGZFRCSD-UHFFFAOYSA-N 538.714 5.504 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243889 JXPQCVHSTUWRIO-SNFXUIRRSA-N 532.065 6.042 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101314509 ONASHFGUKYGJPV-SANMLTNESA-N 533.378 5.216 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1 101367434 ZARSBEOGQLKZFK-GEFUHLBYSA-N 566.585 6.004 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101373091 DDPUCQLZHMYUFO-SANMLTNESA-N 553.442 7.008 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 101377962 ZWWAQCVIKIFALD-YTTGMZPUSA-N 554.687 7.508 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)ccc1Cl 101383827 AHLBRYIGEKHZLD-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101396964 PMSNZVQWTZXUAC-NDEPHWFRSA-N 581.496 7.789 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 101595306 MOQOUHGQCKUJPV-JBASAIQMSA-N 538.442 6.252 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 101620167 JWZPQEWRWADAFX-DFKUXCBWSA-N 528.561 5.356 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1c(Cl)ccc(Cl)c1Cl 102007026 NAXFCZUSVVLOBL-LUOAPIJWSA-N 536.893 7.078 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)c(F)c1 102832681 IODDDBYMIWBWQL-CKWSZQMZSA-N 600.716 5.207 50 10 KKGE O=C(c1cc(Cl)sc1Cl)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 139021378 XAPAGSFYNRWISJ-QPSGOUHRSA-N 562.279 7.078 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 150428604 ZXZQVNKFLACNID-XACFZUKVSA-N 635.309 6.061 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 150430999 XVZBKPIOIIJQJQ-ZZJXEYPFSA-N 810.208 6.442 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 150482031 NFTRRZSZXPYGDN-SSEXGKCCSA-N 635.931 8.452 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccc(Br)cc12 150482202 DQYANVQRKJQPFK-PMERELPUSA-N 676.350 8.827 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483809 KXLBLZLHOVOXFY-HKBQPEDESA-N 682.354 7.546 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 214209556 HEFSJRXDMCFZNK-DIBXZPPDSA-N 508.622 6.111 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214251499 BTNCHUMGOGSNAR-DICXZTSXSA-N 508.622 5.883 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214296318 PMHONIJWHOMVOD-VEILYXNESA-N 538.648 5.593 50 10 KKGE C[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 216492090 JAGLAIUCWLVXMM-JDXIPBLQSA-N 504.678 5.557 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3)n2-c2ccccc2)cc(OC)c1OC 252599893 DMGXJMBOQUUNTB-UHFFFAOYSA-N 623.691 5.422 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253562485 DHXXITQEVXGLLS-KQPIQEFLSA-N 660.973 5.459 50 10 KKGE CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C[C@H]1I 254391143 LEWFGYWUDKXYIJ-VPHKZCSWSA-N 556.613 8.453 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254594854 WCXBVVJUGLGXKP-UHFFFAOYSA-N 528.737 8.990 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1OCc1ccccc1 254699815 MBFZEXCKBJPNHA-UHFFFAOYSA-N 605.764 7.062 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 254716350 ZIOPTNAQQBNLAA-TXODYBTLSA-N 649.788 5.330 50 10 KKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCCC)cc3)c(OC)c2)cc1 254833447 FNMWWWHCAHNUGY-UHFFFAOYSA-N 502.567 5.422 50 10 KKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 254851986 CHJONKUSOLHEOH-UHFFFAOYSA-N 509.484 5.056 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@@H](I)[C@@]1(O)C(=O)O 255966323 CBVZKAGLPGRMNW-AYPBNUJASA-N 709.105 5.774 50 10 KKGE in-vitro CCCCCCCC(=O)NN=C1CC[C@@H]2C[C@H](OC(=O)c3ccccc3)C[C@H]1C2=NNC(=O)CCCCCCC 575733185 PJTFIWCSJCSZJI-KWXIBIRDSA-N 552.760 6.697 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 724915825 RAYGWPKSZRKWAI-SECBINFHSA-N 523.935 7.198 50 10 KKGE O=C(NCc1ccc(F)cc1)OC[C@@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238543 MIANWEQOQUQJDT-VWLOTQADSA-N 539.028 6.919 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 725424054 UMQXGBJOIPVARD-HHHXNRCGSA-N 561.476 6.544 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1083897924 OBXFNWRMWDIEHT-UHFFFAOYSA-N 562.667 5.286 50 10 KKGE O=C(c1ccccc1Br)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1083927116 BYEMNKFXDKKKMY-UHFFFAOYSA-N 632.037 7.004 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1083964283 AHTGVTGLYALPCZ-GDLZYMKVSA-N 605.529 6.943 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084092051 RKYISVWNEUURFV-VIZOYTHASA-N 556.660 8.087 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084177948 RCPKDBUOBIYXEY-UHFFFAOYSA-N 629.964 5.864 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)c1 1084252923 QDJDWDUGVPLGBZ-UHFFFAOYSA-N 562.717 8.600 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084326824 CDDOORQNNVRSQS-WUXMJOGZSA-N 577.056 6.006 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cccc3ccccc23)cc1)c1cccc(Cl)c1Cl 1084341008 RMMNUJIIONYLMK-UHFFFAOYSA-N 526.445 5.877 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084512356 SHDYUAKBZXRJLL-QHCPKHFHSA-N 555.425 5.089 50 10 KKGE COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1sc2ccccc2c1Cl 1084528760 CDIMASYHLSTCMI-UHFFFAOYSA-N 514.990 6.700 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccccc1C#N 1084643986 PWJGZRGXHKQADE-UHFFFAOYSA-N 557.242 5.825 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084644466 SMBGGTUMDSWOAD-OVCLIPMQSA-N 526.634 8.078 50 10 KKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865683589 NBMJDCNNSXIQME-SFHVURJKSA-N 508.331 5.541 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689424 RTUHHKADXORKHS-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865690108 IWBMDPDQPXIXEN-AREMUKBSSA-N 529.015 6.788 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865691108 JJNRHAWIQBOVQE-RUZDIDTESA-N 510.981 5.984 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865691143 KKMXGWLEMZMBGJ-MHZLTWQESA-N 579.539 6.805 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3cccc(Cl)c3)cc2)cc1 1865692459 GFXCAQWWRUXRRG-PMERELPUSA-N 559.069 7.357 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865692894 PWVUJYOIBIYBLG-XMMPIXPASA-N 511.453 6.588 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cc(Br)ccc1O 1865696270 LKBXYYKIPSZHMB-NRFANRHFSA-N 519.786 5.879 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc(Br)c1OC(C)C 1865697473 UEKOVEOSJQMNPQ-XMMPIXPASA-N 537.458 5.633 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865703411 VIVQRVGTLHQKBM-VWLOTQADSA-N 546.549 6.395 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865703797 FWVPWUVDTKUTEI-LJAQVGFWSA-N 528.612 6.529 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707497 YARGZOWRJGQPGX-NDEPHWFRSA-N 578.113 5.401 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973534 LFIYNFJCCXUSFY-FTJBHMTQSA-N 582.589 6.819 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(C)ccc4[C@@H]3CC(C)C)n2)cc1 1868320420 JTWPIKYSSBFGBO-LJAQVGFWSA-N 519.718 8.227 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 1872746515 LKWNMBMFPZGUFR-GYGWLHPRSA-N 503.580 5.150 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872795129 OUXDNEOWTKTSHN-CIAFOILYSA-N 503.023 7.432 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2c(c1)COCC2 1923070437 AKQCIAWIHGUEPO-NSHDSACASA-N 501.465 6.484 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 1924569368 UKXLZHDGFGGBFM-DMTCNVIQSA-N 505.842 6.763 50 10 KKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924592341 YONJBWDFRMJKIU-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2csc3ccccc23)c1Br 1924600182 PKMJHIOSQRPGNM-JTQLQIEISA-N 545.941 7.735 50 10 KKGE CC(C)(CCCC[C@@H]1CCSS1)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951899896 IKROPABYPQXLDV-CLOONOSVSA-N 513.725 7.109 50 10 KKGE CCC[C@@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780063 OMRYVOTZBBUOMZ-LDWIPMOCSA-N 556.756 7.609 50 10 KKGE CCCCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025783667 VNSCBBWFUBEUFX-VIFPVBQESA-N 512.305 7.597 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2083318021 LXTRMBCCSMKHFQ-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2125299407 RTAGLDLTXBEVOC-AQNXPRMDSA-N 503.775 5.440 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(I)c2)c1Br 2136381381 ZYVRHRMAQADJMN-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE CC1(C)C[C@@H]1CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468591 LKUHJBQAKODYCM-XVKPBYJWSA-N 538.343 7.843 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCC1 2141478040 VSYPSYMFJBUMKG-ZDUSSCGKSA-N 538.343 7.987 50 10 KKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 2165531612 ORXVHRASMPUFCS-OASPWFOLSA-N 585.445 5.505 50 10 KKGE FCCOc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 2189495909 WBCRPZPCPUPRFX-JTQLQIEISA-N 551.895 6.868 50 10 KKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398000 PKDXKEMTRGVZRL-RNFRBKRXSA-N 604.747 7.998 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206399827 LXUJYSWDQCABTP-NSHDSACASA-N 631.609 8.528 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1C 2221835674 JMRHNBRESRHQLO-ZETCQYMHSA-N 513.929 7.696 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(Cl)cc2Cl)C1 2223378417 OBCFOHOTOUVVNL-GOSISDBHSA-N 500.204 5.715 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1F 2225936649 XXPDGYLYSIFPAW-NSHDSACASA-N 505.897 5.955 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2Br)cc1I 2269556750 QZGFTPDUJQBYRQ-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283575152 UCFCQRGQQFCPRN-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198204 IFYLIBDUDXMBIS-DEOSSOPVSA-N 532.463 5.500 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 2294168655 YFQDKNPMYABATA-UHFFFAOYSA-N 560.613 8.418 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 2295672430 XWJMPTPRFWWPRT-UHFFFAOYSA-N 522.001 6.654 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2296506721 BVAKQILYKFWWLP-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1 2296706018 MMKKEETWXRKJGE-UHFFFAOYSA-N 506.606 6.581 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@H](C)C2 2297458981 OBPNPXGRCJLBSV-HNNXBMFYSA-N 528.552 6.874 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2299489847 SZBDBSSSQJTGHM-MHZLTWQESA-N 538.279 8.091 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518786 SROKSSPRLSHPLQ-UHFFFAOYSA-N 523.641 8.061 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545986 UMGAPLMLKLFCSM-UHFFFAOYSA-N 675.308 5.731 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1 2313566964 ABIREZOCPZREDY-UHFFFAOYSA-N 587.255 6.795 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1 2313568040 OEOMVXCEJAARFR-UHFFFAOYSA-N 634.255 6.637 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571372 UQVYDKFKLKRJIR-UHFFFAOYSA-N 517.150 5.551 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C1 2314476183 KGVRIJLZZDAGJT-DHIUTWEWSA-N 569.687 5.022 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2314490317 ZRPIWTVXHAYRQN-UHFFFAOYSA-N 578.653 7.995 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(OCC)cc3)C2=O)cc1 2314591954 IMHQRLGIDPMYEA-GDLZYMKVSA-N 539.701 6.801 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592389 SGOROECGLJKHAI-AREMUKBSSA-N 513.619 5.386 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592874 DAVYMFWIQOKMJM-MHZLTWQESA-N 511.647 5.445 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314610395 HODHBLVCJUWWEW-UHFFFAOYSA-N 508.622 5.966 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 2314634537 GYDWYMQGKMYEQT-MGBGTMOVSA-N 544.607 6.420 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314640603 ARTRXUFHXIZMJK-YTTGMZPUSA-N 538.644 6.881 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314640625 DXLNPTZEQWUTTH-UUWRZZSWSA-N 574.652 7.539 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314738617 SCDJCUSOBGHUFE-UHFFFAOYSA-N 506.599 5.323 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(Cl)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320482180 NYBZRRKGTUOVNT-UHFFFAOYSA-N 509.056 5.515 50 10 KKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc(Br)c2)cs1 2331279236 ZIIAHKQNCJNWHN-UHFFFAOYSA-N 502.777 5.444 50 10 KKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 2331377312 IVHRMWDRLZDYQS-UHFFFAOYSA-N 501.004 6.313 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)cc1Br 2340064141 OHJDNVLBOOMMHU-CQSZACIVSA-N 534.844 7.106 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Cl)cc2I)cc1I 2340065897 NEHXKKVGPMVGPU-AWEZNQCLSA-N 518.947 5.886 50 10 KKGE Clc1ccc(C[C@H](CBr)c2ccc(Br)cc2)c(I)c1 2341052687 UMPMQGSXUQCNJT-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE Brc1cc(CO[C@H](CI)c2ccccc2)ccc1I 2350069529 ZOMHKBWPOUJMAO-OAHLLOKOSA-N 542.980 5.747 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)nn(C)c1C 2365193432 HYNWFIVXOOXJPZ-SNVBAGLBSA-N 533.859 5.948 50 10 KKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368517388 XXPNUPZPRYPAFX-CHFCKMNRSA-N 596.777 7.130 50 10 KKGE COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 6906206 MIVMQIWAWXLALJ-BIZUNTBRSA-N 540.572 5.128 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739799 NEADWSBCPRCFNL-QPQMVVSWSA-N 508.430 6.367 50 10 KKGE COc1cccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c1OCc1ccc(Cl)cc1Cl 33399239 QFHPCQLGFSXUPR-UNOMPAQXSA-N 516.388 6.285 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38608480 UZUHNRUUSZTRON-ZVHZXABRSA-N 512.993 6.029 50 10 KKGE CCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 38608528 QMEQRXMERWAZHJ-LPYMAVHISA-N 502.567 5.175 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649862 WLWZGXAKARUFRC-AFJIDDCJSA-N 510.634 6.699 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(C)C)c(OC)c1 38684261 GAYUNLKTKBVBEU-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684712 MXHZELWQKAIBCJ-PMERELPUSA-N 512.606 5.876 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 38686383 PYYLTYBKDXGHCF-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)c(C)c2cc1Cl 38687089 FIEHJSJPNWOVPU-MHZLTWQESA-N 512.993 7.264 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)CC1 38700535 ZAMJDMRMHRYZJB-CMDAQFAFSA-N 518.654 6.604 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38701087 SJVLHDYKVNDRNU-SANMLTNESA-N 512.949 6.397 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 100236594 LRNXEOBVCSJPEX-HOFFDHMBSA-N 541.475 6.664 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 100238502 BBRLIPZCYCQVLN-DVMDLWDRSA-N 545.463 6.334 50 10 KKGE O=C1OC(=O)[C@]23C1=CC(Cl)=C1c4c(Cl)ccc5ccc(Cl)c(c45)C(=C(Cl)C4=C2C(=O)OC4=O)[C@@H]13 100368085 QZGSYCNZZJBRHA-OSPHWJPCSA-N 532.118 5.080 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244264 RCEOSUWHCUFDEN-ZFKOOEFLSA-N 549.618 6.626 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101374533 WUJDZZYGVQUTLO-NDEPHWFRSA-N 543.576 6.000 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382740 PAMIQHSOSSEBPT-ILZHQVLHSA-N 534.999 6.756 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 101385581 CZPXNLYGKUEHKL-GDLZYMKVSA-N 617.883 7.127 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385608 DEZJCHXSXJBYEB-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(F)cc1 101389434 NOQXBQVQDUNFKU-NDEPHWFRSA-N 526.520 5.834 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1Cl 101394470 SYTTYDKNFBMYBB-QFIPXVFZSA-N 547.797 7.012 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2cc1C 101398004 ZTLVLQFSBKGJND-YTTGMZPUSA-N 625.508 8.681 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601804 IMCLYSVAOORERT-AWSUPERCSA-N 558.978 6.665 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc2ccccc12 101710094 COAYHUAHHGWEKB-OKCVXOCRSA-N 529.390 6.700 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101729656 LEIRIPCZKHAGJQ-QZAUPBOPSA-N 613.066 6.761 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 102416586 ZCWXEQJVLKHSCK-HKWRFOASSA-N 560.075 7.314 50 10 KKGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc2c(c1)Nc1ccccc1S2 102981905 LQZUIDCHMOAEFP-GTWSWNCMSA-N 542.686 6.466 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 103887276 AYHWFOODQFIKCP-IUXPMGMMSA-N 595.118 7.952 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1I)c1cncc(Br)c1 150406181 OQQCGPUPXMXAIH-JQAMDZJQSA-N 707.942 5.957 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433512 LLUVJXCCQJBSMH-XIFFEERXSA-N 645.539 8.196 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150433550 QMHROVKPMFUXTH-JGCGQSQUSA-N 631.512 7.807 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 150441775 TVHRJYSEQKZAGW-XIFFEERXSA-N 645.539 7.791 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150482142 BIKHKOBJNRCTGY-MHZLTWQESA-N 668.385 9.531 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 150497935 FXKZNORCFJOLDB-KCSSXMTESA-N 638.655 6.779 50 10 KKGE COc1cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(-c2c(P(c3cc(C)cc(C)c3)c3ccc(C)cc3C)cc(OC)nc2OC)c(OC)n1 196304506 XLHRVZKHVBMKEN-UHFFFAOYSA-N 756.864 8.162 50 10 KKGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2)cc1 198742214 LWGOEOUOHTUMGY-UXHLAJHPSA-N 564.019 5.133 50 10 KKGE CC(C)[Si](OCC(CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C 205147521 DTDBKBUDBOGWQC-UHFFFAOYSA-N 561.129 10.931 50 10 KKGE in-vitro Cc1ccc(C2=C(C#N)[C@@H](N[C@@H]3C(C#N)=C(c4ccc(C)cc4)Oc4ccccc43)c3ccccc3O2)cc1 206895442 VDCPZVGETQUDHY-ACHIHNKUSA-N 507.593 7.330 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 252618591 LIDHVJABHSYMMT-UHFFFAOYSA-N 570.531 7.835 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 253530190 LMCNYCSDWPLKPZ-PDGOGYCMSA-N 505.227 9.203 50 10 KKGE biogenic CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254304845 UKBWJOFGBMYBFB-UHFFFAOYSA-N 678.749 6.858 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccc(F)cc3)c2-c2ccccc2)cc1 254855224 VXQHAEPBPAGHHJ-UHFFFAOYSA-N 531.587 6.891 50 10 KKGE CC[C@]1(C)[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 384968966 KOPAWWATVGIPCM-NQBHXWOUSA-N 555.419 5.880 50 10 KKGE CC(C)(C)OC(=O)NCCN1CC[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616586478 AYTTXRFMTQZLDM-RUZDIDTESA-N 510.795 7.118 50 10 KKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1 721573380 RFAKIKPVUIZVOZ-GFCCVEGCSA-N 510.951 5.641 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)/C=C7\SC(=O)NC7=O)CC[C@@]6(C)[C@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@@H]3C1 1076011147 LAPUCWPKWZCJAA-ONTCNDTFSA-N 703.740 7.687 50 10 KKGE CC(=O)c1nn(-c2ccccc2Cl)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(C)=O)nn2-c2ccccc2Cl)s1 1084005660 VTXZPWRXTBFNKV-UHFFFAOYSA-N 721.742 9.157 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl 1084463530 UVVZUOVCDRRGII-UHFFFAOYSA-N 535.069 5.478 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Br)cc1 1084520540 PUFASCBMZOUJLS-QHCPKHFHSA-N 560.286 6.063 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc(O)c4ccccc4n3)c2)C[C@@H](C)O1 1554200828 JYIZKZHGTMQKMH-DCISRPNSSA-N 592.681 5.050 50 10 KKGE O=C(N/N=C1\c2ccccc2C[C@@H]1NC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1616058269 RVBVRPOPLZAKSS-OZFKFUFTSA-N 560.532 6.258 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687625 WFKFTNASQNZGON-SANMLTNESA-N 539.051 6.472 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865687898 CTUCQKWONGXPRC-AREMUKBSSA-N 560.576 6.704 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865691549 VFEPSIJMLDWDCV-NDEPHWFRSA-N 571.077 6.666 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865693193 SPUPOJORIVIYLF-HSZRJFAPSA-N 571.903 6.315 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865694481 WDILZXTYJFATNR-NDEPHWFRSA-N 510.569 5.575 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1OCc1cccc(C)c1 1865705290 QNROEKJNGHZZBG-HHHXNRCGSA-N 545.014 6.147 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 1866938192 BWDLHKFJBXJSHD-SDHSZQHLSA-N 505.640 5.559 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Br)c1 1867209119 FROJQHAZJYJOGO-RPBOFIJWSA-N 536.495 6.648 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868388155 FWZARACBIHDNRP-HXUWFJFHSA-N 507.685 5.436 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1868506345 VNYSZYLXZPNJLY-BGYRXZFFSA-N 504.660 5.014 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1C 1872746334 CLLUCTKUMJKQPG-VYIQYICTSA-N 521.598 6.494 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(OC)c1 1872755668 ZERFAZNZYWKSJW-LVWGJNHUSA-N 515.591 5.706 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 1873793648 VATHAMGRQLTGFV-XCCYOMQZSA-N 504.027 5.317 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1csc(Br)c1Br 1902796073 IASKTFSHYSEHDH-LBPRGKRZSA-N 526.088 5.373 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1924594148 KJCLGHPUADNHBW-SECBINFHSA-N 542.287 7.265 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924600350 QGCMIQUCUHMDQR-VIFPVBQESA-N 598.774 7.291 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCOc3ccccc32)c1Br 1924601091 VCEACDWVKQTYPU-KCJUWKMLSA-N 545.916 7.038 50 10 KKGE CC[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616553 QIIHWGGQYZRURF-KWQFWETISA-N 511.899 6.431 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C=CC#N)c1I 1951463693 GSDYYMFTCSJUKR-UHFFFAOYSA-N 621.982 5.384 50 10 KKGE CCCCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780689 WDDHJRMUYYFHMW-SSDOTTSWSA-N 556.756 7.753 50 10 KKGE CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCC=CCCCCC 2040347162 BDTYMGCNULYACO-UHFFFAOYSA-N 542.889 11.683 50 10 KKGE CN([C@@H](c1ccc(C(C)(C)C)cc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080763301 LDRFSVNOZYUAIR-YAYIQTBWSA-N 541.741 7.226 50 10 KKGE CO[C@@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2133842188 FEGNQNAFPLGUQJ-OOZYFLPDSA-N 537.937 6.677 50 10 KKGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471630 UMDVWYJHEBGDMF-OECDLBLWSA-N 586.738 5.977 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2203688007 SNYJWVVADDXXHF-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE COCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206399110 CGYBVTMQEBKCDL-ZDUSSCGKSA-N 598.793 7.379 50 10 KKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(Br)cc1I 2207259989 DINRDKAGELSWOA-YGRLFVJLSA-N 515.027 5.127 50 10 KKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1I 2212990880 PZSIZOQGGWJFLI-LJQANCHMSA-N 500.218 5.662 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1sncc1Br 2213490671 UZJKWDABFGKSBR-SECBINFHSA-N 508.830 6.054 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2213747140 TXYPHOYIDUSFGC-SSDOTTSWSA-N 588.804 7.652 50 10 KKGE CC(C)(C)OC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2232950076 KRBHQLXEOFBDDO-HACHORDNSA-N 553.980 7.455 50 10 KKGE CC(C)(C)OC1CC(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2232950628 NNUWOBKYYCTFLV-AMDVSUOASA-N 509.529 7.299 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2234070490 UNAHZEBXXDRPEG-ZDUSSCGKSA-N 508.645 6.154 50 10 KKGE CCc1cc([C@H](Br)c2cc(Br)ccc2I)sc1Br 2256056000 QNKDNDROSWJQIX-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1I 2257367898 DODCOMMTGJVRDS-NSHDSACASA-N 522.427 6.215 50 10 KKGE COC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(C)C1 2266351481 UZWALJDCUIJJLA-BZCBFNEHSA-N 540.315 6.832 50 10 KKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2268256417 YVHXCOVQJXVKEE-MRVPVSSYSA-N 509.872 7.073 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1 2293198300 RORBHVQZGPPQFT-HSZRJFAPSA-N 536.426 5.962 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 2294146989 PUTCGGLWUZMHBQ-UHFFFAOYSA-N 695.251 6.327 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2295366220 XTEYUZHWGWQPHN-MRVPVSSYSA-N 507.835 5.745 50 10 KKGE COc1ccc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OCc1ccccc1 2296405717 LXRPLOHFAATXLI-UHFFFAOYSA-N 542.616 7.721 50 10 KKGE N#CC(C(=O)N1CCCCCC1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507075 RRFHAMTYWUFDND-NRFANRHFSA-N 500.451 5.822 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@@H]1CCCO1 2296706835 YFBRXZZHXXBQNM-LJAQVGFWSA-N 522.580 5.460 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(NC(=O)c1ccccc1)=C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497901 FKFQAADXCKRQMG-UHFFFAOYSA-O 661.718 7.205 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 2301044815 VJDQRLJQEBABFF-LURJTMIESA-N 528.289 5.860 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1 2313568376 RPLHZTQVJWNSKO-UHFFFAOYSA-N 645.238 6.201 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc2ccccc12 2313570808 GQOREDWALABQFW-UHFFFAOYSA-N 543.450 8.008 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 2313571363 UNEOQXBQPSFLJE-UHFFFAOYSA-N 552.414 7.153 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591643 AIGFGJJREBSDBF-XMMPIXPASA-N 554.455 6.076 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592300 QFODJJXFANNWEH-QHCPKHFHSA-N 534.435 5.523 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C(C)=C(C#N)C1=O 2314616454 AWZNMTAQOIOPIU-UHFFFAOYSA-N 508.647 6.210 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 2314754046 JGLONJHNAQIMKF-UHFFFAOYSA-N 505.552 5.753 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ncsc1Br 2317398064 AWEQOBPSEAIGEA-QMMMGPOBSA-N 522.857 6.362 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 2331245408 IREZHCACSICYDM-UHFFFAOYSA-N 505.599 6.740 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OCC)c1 2331389375 ZLHOLCHJHCYWRC-UHFFFAOYSA-N 511.987 5.479 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2334326962 HKTLWZPXWQMHHR-SREUIJSDSA-N 536.327 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2334620915 LHSKWPQARKMHTO-FCGKXJCRSA-N 580.778 7.609 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccccc2I)c1Br 2337100037 ZGUWBYNANCIJRX-GFCCVEGCSA-N 538.807 6.937 50 10 KKGE BrC[C@H](Cc1ccc(I)c(Br)c1)c1cccc(Br)c1 2349854493 QUBRMSSJVWOENM-LBPRGKRZSA-N 558.877 6.537 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(C)nn(C)c1Br 2365192144 ANXNKXJBSYMANO-SNVBAGLBSA-N 533.859 5.948 50 10 KKGE COc1c(Cl)cc(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)cc1Cl 2365591481 LYADNMZCHDSHGB-UHFFFAOYSA-N 530.230 5.723 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2365599993 YGRIFTIMNGDPQQ-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE O=C(Nc1ccc(Cl)cc1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3143304 LYMBZXUQALJYSQ-QNEJGDQOSA-N 577.020 7.091 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 14640705 YQKYGBCQWKQCPV-UHFFFAOYSA-N 509.853 6.351 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)c1ccccc1Cl 33353581 ZCOKICOFZKKTJQ-XMMPIXPASA-N 556.962 5.295 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1Cl 40815478 BMUOWTXAWFSNBY-YQCHCMBFSA-N 526.036 6.791 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 40910583 KFRVHSHCCFNVTG-UXHLAJHPSA-N 515.407 6.224 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 41013059 OEXQLGZQXZONHA-PCLIKHOPSA-N 515.679 7.202 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100190723 LAGAOLDKVXSFDQ-UHFFFAOYSA-N 623.367 5.504 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 100327238 ZIUVSTFMANGFEU-HSMHNTNPSA-N 531.834 5.654 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100452214 JCGMLSAHQDLRDT-PVYGGJOHSA-N 552.425 5.629 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034290 GZFHQODNIFMYPB-VXLYETTFSA-N 584.997 6.560 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244159 ZIEKMOCFRPCMNC-OSNVHYDOSA-N 516.066 6.261 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OCC)cc3)C2=O)cc1 101246719 CUPPXKCBPKTRHG-DTDIEQIPSA-N 555.700 6.501 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338075 VCMKFWRMMBLSJG-DFKUXCBWSA-N 556.666 6.553 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339442 GBGKLGHHPUAETD-STKMKYKTSA-N 584.720 7.599 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 101367353 VENBZDGKFGSDTR-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101368221 VDYQHQVKDPHBAV-GDLZYMKVSA-N 549.023 5.976 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386085 RLMKMYXYWYMOGP-JGCGQSQUSA-N 599.039 6.139 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101388948 MPLPLTBZGHFPRW-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390980 KMLCCBZUHQBDOI-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1[N+](=O)[O-] 101479315 HPKSRSVYIAKGEY-UHFFFAOYSA-N 533.117 7.688 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(OC)c(Cn2nc(C)cc2C)c1 102347380 BNRVLWHTTDYGFF-XKZIYDEJSA-N 526.618 5.618 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 103724184 UHGBXQRIIVWYPO-IDELHDLMSA-N 537.230 6.135 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806227 UXWVXUFALGQVQT-NFOBWPFGSA-N 613.652 5.570 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 103879491 BNDHRWNZZBFWQW-OKCVXOCRSA-N 578.419 6.574 50 10 KKGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 104768874 QGTPJAOVXNPNJH-ZCTHSVRISA-N 593.551 5.141 50 10 KKGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1Br 104768899 IDSSRJROZDTPHQ-XODNFHPESA-N 616.339 5.005 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1ccc(I)cc1)OCCO2 109865367 LCAVWIBZXFTNTC-HNNXBMFYSA-N 509.963 5.309 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1csc(I)c1 124424197 SAONRDCMBSZXAV-CYBMUJFWSA-N 502.009 5.998 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 150419005 DLFYSGDDAIWQRP-UHFFFAOYSA-N 663.432 5.845 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 150463091 LLVHCOMZYDDQJH-JWOUUYIMSA-N 667.187 6.288 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 150483463 DSRPJIXMNHTIJZ-HHHXNRCGSA-N 633.940 8.878 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(I)cc1 164612833 KLDZAMBUASOJIK-KVSWJAHQSA-N 684.122 6.914 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214323014 VZQIFXTUKIZWIO-SBCAZUFSSA-N 564.686 6.270 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214357185 HVKRTGHTGKTJTF-CEUNXORHSA-N 534.660 6.499 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2=O)cc1OC 214368439 FFRUGQIRWPZRLB-YQYKVWLJSA-N 594.671 6.545 50 10 KKGE CSSCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 220840716 TVEHPTDUSKNJAT-NRFANRHFSA-N 684.243 8.083 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](O[Si](CC)(CC)CC)[C@@]3(C)C(=O)C(=O)C(=C1C)C2(C)C 222024691 MGJAFORIYQRETF-XEPBNPNZSA-N 771.109 7.349 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 235822046 ORGGVPNZBNXKSY-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(I)c1 236208988 KCOMHIJFJPRXAJ-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 252631871 VNMBCISSIMHKTF-UHFFFAOYSA-N 621.115 5.020 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 254290441 MAIKGBHVJKDTPG-RIIKEFOYSA-N 583.560 5.260 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 254439052 KJUUJPSTTIKTRB-UHFFFAOYSA-N 566.639 5.358 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 254740709 GEUROYDSZHSFOB-UHFFFAOYSA-N 526.637 6.036 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@H]2Br 256022825 QDXKTKIHEOJWDQ-YSSFQJQWSA-N 583.590 5.674 50 10 KKGE CCC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 256068649 KVVLTROOHMLHLQ-SMFRXTADSA-N 649.074 9.369 50 10 KKGE in-vitro Cc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)cc1Br 381696350 FPFLAKLUDPNPHY-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE COc1ccc(Br)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382691225 MRSJIWGJKMOSBE-MAUKXSAKSA-N 530.200 5.245 50 10 KKGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCBr 697201368 RNEDWQPRPRFPSQ-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE COc1ccc2c(c1)[C@@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CCC2 725238232 QWTPWAINXKFHQI-URXFXBBRSA-N 537.003 6.282 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 1083885928 YJJFFDATKHXSRV-QINSGFPZSA-N 500.190 6.580 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1Cl 1083959627 YBOQMYBYPLDCHM-LICLKQGHSA-N 580.693 7.933 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084194490 WUVRQTOYVPCGQZ-RUZDIDTESA-N 525.418 5.860 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084220862 YIHMZRNOSLOQMJ-UHFFFAOYSA-N 622.541 5.772 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084332302 VNEFSLHXZZWLRV-UHFFFAOYSA-N 596.692 7.897 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3OC)cc2)c2ccc(C)cc2)cc1Br 1084584508 HNPONUNDCHEIPB-UHFFFAOYSA-N 622.541 5.934 50 10 KKGE CC(=NNC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084627478 MRSHHDGDWHZVET-AHPZMPFVSA-N 520.073 7.328 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653161 OSNWUGDNPOLREW-SKUBCJEJSA-N 549.618 6.571 50 10 KKGE C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 1615009325 IVSAOYOKGQGAQG-HTHVWNSUSA-N 577.710 5.644 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)cn5)c(C)c43)coc2c1 1772751454 CGVHEXFUGPIJCG-UHFFFAOYSA-N 504.974 5.651 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@H]3CC[C@@H](Cl)[C@@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 1848441104 BNABXEFZVJPGTL-SESHBXBMSA-N 884.665 7.370 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@H]3CC[C@@H](Cl)[C@@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 1848441105 BNABXEFZVJPGTL-XEFUFFMDSA-N 884.665 7.370 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865682966 BXDBUOHTKKAURF-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686976 GQSLVLSZUCUOGJ-HHHXNRCGSA-N 561.469 6.606 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865694651 YNCDSPRRZNMOTE-LJAQVGFWSA-N 520.633 5.998 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694937 GACOPPMCJQSCMR-NDEPHWFRSA-N 506.606 5.857 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697002 MVMSFASVCZCOLM-HHHXNRCGSA-N 557.050 6.274 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703299 SQLLEYMTNHEDAJ-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703322 SZPWCTQIRUOLGI-AREMUKBSSA-N 500.961 5.830 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703706 ZWISAOUONFDFCM-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703754 DZTRARDJJSMZKY-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706281 SBOXYOGYHJCRIM-SSEXGKCCSA-N 542.639 6.702 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712466 ZFTGEOUJTIFFSS-HSZRJFAPSA-N 502.496 5.747 50 10 KKGE CC(C)c1ccc([C@@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962956 YLHKDSVSNWYYAW-WDYNHAJCSA-N 545.774 7.180 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H]1C 1868414361 LQEZMMKIULVNET-KDURUIRLSA-N 509.079 5.659 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872727333 QPASOWFAYOSIHT-XGLKJEJJSA-N 524.045 7.034 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2csc(Br)c2Br)c1Br 1922911538 DHXKOKZDCJXFQX-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924579776 JVOFSYFPUHNUNQ-QMMMGPOBSA-N 507.842 6.659 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)sn2)c1Br 1983288464 BYBBRQLHVAXKLA-SSDOTTSWSA-N 510.896 6.285 50 10 KKGE CC=Cc1ccc(OCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)c(OC)c1 2042447894 DVFVSHCCLPQMLO-UHFFFAOYSA-N 526.511 5.736 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 2116580633 PMJVZVKSUDYTMF-ZETCQYMHSA-N 549.870 7.594 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136370499 JFWXMIPYAWEJAW-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(I)c(Br)c2)c1Br 2138860243 ATJSTUUKZWGTAC-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE ClCCc1nc2cc(Cl)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2169009763 JHTZNRMRWPFRGV-UHFFFAOYSA-N 559.335 6.705 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)cc2Br)c1Br 2201081690 JKBXNXDQCDTBAL-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206394477 HCQOCCCQXHZOJV-NOZJJQNGSA-N 598.837 8.635 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2207102391 KHEABXCTBNUUBO-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE Clc1ccccc1[C@H](Br)Cc1sc(Br)c(Br)c1Br 2222473154 RIXFUSJWXISNBA-SSDOTTSWSA-N 538.324 7.368 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)c(F)c1Br 2236111418 UONFZWRWFGKTBX-NSHDSACASA-N 584.793 6.718 50 10 KKGE O=C(Nc1ccc(OCC2CC(Br)C2)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2248250358 WDJGPLMCSVOYRY-UHFFFAOYSA-N 522.395 6.298 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 2294193131 WDCLZXFIOMTHDS-UHFFFAOYSA-N 538.607 7.828 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2295356554 CFRNHWCDSNQZKW-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3C)c2C)sc2c1CCCC2 2296659722 WKZXBTIHPGAZJH-UHFFFAOYSA-N 522.070 6.719 50 10 KKGE CCN(CC)c1ccc(C=C2CCC(C=C(C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 2297713360 BZVIQTMIXILUQA-UHFFFAOYSA-N 500.618 5.524 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 2313518205 SKUKWKAWTZLNMN-UHFFFAOYSA-N 505.412 6.508 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570888 IONAVCQAFXLWLS-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(I)sn1 2313750921 KJUGWZBNMKBPQV-SECBINFHSA-N 501.373 6.284 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314611308 SSQKYFULYULIFV-QHCPKHFHSA-N 542.639 6.509 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 2314616644 GHRVVOTVMYOXFG-UHFFFAOYSA-N 520.633 6.171 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643259 MACSICBJLFKDMM-PSXMRANNSA-N 635.160 8.452 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C(=O)OCCOc2ccccc2)c1C 2329673995 QJUCUCULHOTXMK-UHFFFAOYSA-N 522.554 5.154 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232500 CUFKUDRRSSUCFG-UHFFFAOYSA-N 515.978 7.457 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1OC 2331310887 SHTDYOSVZHDXDH-FQEVSTJZSA-N 503.624 5.328 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337088731 PJAULTPWTWRWHD-JTQLQIEISA-N 556.314 7.621 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)cc(Br)c1 2360494188 UITZMONNKCGGNX-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE C[C@H]1CC2CC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368040862 XXPNUPZPRYPAFX-LTCSMMJFSA-N 596.777 7.130 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651512 VNRKZPJUAQGQOG-FATZIPQQSA-N 509.331 5.179 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684713 OIMCYMMTTYATIE-WJOKGBTCSA-N 526.633 6.437 50 10 KKGE CN(SSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)Oc1cccc2c1OC(C)(C)C2 39373055 DWYHXPHZARNFRM-UHFFFAOYSA-N 504.630 5.886 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)ccc1OCc1ccc(Cl)cc1 40911122 GOAQQECMXNBYGY-LGJNPRDNSA-N 503.780 5.219 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 58892278 FRMJZHUQVMZOJA-BSBOAJKNSA-N 516.594 5.085 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 58893637 XWCKFEIZKJSAGZ-UHRFABFRSA-N 504.030 6.014 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212838 FWYIEAWCSWDDOT-HNNXBMFYSA-N 611.345 5.480 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)CC1 101013469 AOGVQPBMHSQGGM-MOHJPFBDSA-N 565.724 6.634 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 101021832 NZIMRNZWVSVIDH-LDADJPATSA-N 537.424 7.704 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 101034302 HMNXVUOYVUXYHX-MHWRWJLKSA-N 544.873 5.830 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065557 FYQZWDCLRTZMNF-OVVQPSECSA-N 545.231 5.836 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242483 JAKOOIJZHZZKCZ-IEQIIXMPSA-N 501.608 5.038 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101293633 WXDWOXPTGRYPTJ-WJOKGBTCSA-N 565.025 6.921 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C1=O 101333615 FHXWMMMQQNIFIW-XHLNEMQHSA-N 536.676 6.891 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 101339654 YWBJKCYOAAMRTE-CVKSISIWSA-N 528.568 5.369 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 101339725 BHDHPUNAUHFZBW-AFUMVMLFSA-N 593.039 6.113 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101340195 CQZUHYRIZLATJJ-STKMKYKTSA-N 600.719 6.870 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340513 QLNGZCBHKPKPPO-NDZAJKAJSA-N 576.697 7.363 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101367756 OPVYXRYLNHCMCK-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101372048 ZQXUMNKZKVOGAH-NDEPHWFRSA-N 577.475 6.854 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101372094 AMDLXESCQSGNJI-PMERELPUSA-N 573.602 5.765 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386415 NNERLSFAAJQUED-GMWXTNTRSA-N 625.121 7.642 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397868 YAZGBAHEQPKRIJ-XZWHSSHBSA-N 550.542 5.368 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccccc12 101398369 LWQLOSSETAAHGG-PMERELPUSA-N 563.009 7.411 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610240 FVKBSGSCICHRTE-JWHWKPFMSA-N 619.505 5.724 50 10 KKGE CCOc1ccc(NC(=O)CS/C(Nc2ccc(C)cc2)=C(/C#N)c2nc3ccccc3s2)cc1 102932119 INQALTOUKXRJKS-ROMGYVFFSA-N 500.649 6.680 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1 104989768 MYORHQZURAIFBL-WWIWEHRJSA-N 594.712 5.983 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118920987 VOXJHJRLIGNTTG-NKOPFAFLSA-N 644.722 9.986 50 10 KKGE O=C(CBr)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1 146408388 VFPKDUMWMDNEJM-UHFFFAOYSA-N 501.289 5.239 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 150382779 PRZXTULWOWFSRW-ZZXJHYAVSA-N 643.319 6.750 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 150480527 UAWSTBVXYLSBHY-XMMPIXPASA-N 694.757 8.874 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214224333 ZKTWBHLWTRJILW-RRAHZORUSA-N 583.714 5.106 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214312080 CVVNANLEKIEZPF-MXAYSNPKSA-N 503.537 5.174 50 10 KKGE O=C(NCC1(CBr)CCCCC1)c1cc(I)ccc1Br 232471680 DTTOVTUAIVLJAO-UHFFFAOYSA-N 515.027 5.129 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(C(=O)c3c(C)cc(C)cc3C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1 252617187 KNYYZJXXVKUNEH-UHFFFAOYSA-N 537.572 6.316 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccc(F)cc2)n1-c1ccccc1 252633675 WFNDGNFSVWMAJA-GOSISDBHSA-N 523.037 5.611 50 10 KKGE CN(c1ccc(C(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)cc1)S(=O)(=O)c1ccccc1 254372305 UCZYITJVTRHAMX-UHFFFAOYSA-N 549.652 6.008 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc(Br)c1OCC 254443784 BBGCUBGTEQDXPS-CYBMUJFWSA-N 508.463 5.487 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 256018176 ADLMEIJZMLAAPY-SDGJKTSKSA-N 567.649 8.393 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccccc3NC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256019993 QRHNIFAKTODRHC-GHBVHVRQSA-N 622.398 5.881 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 256020071 VKPFROXLVNAKFO-MJTLGKCTSA-N 861.972 7.371 50 10 KKGE Clc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)ccc1I 308412582 HOTSTQGEFVERGE-HNNXBMFYSA-N 528.409 6.126 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616687147 VZIPNKIEBRWFTG-MHZLTWQESA-N 508.760 6.613 50 10 KKGE CN(C[C@@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)C(=O)OCc1ccccc1 725238915 TVUKNKXEEKJCLZ-LVXARBLLSA-N 608.082 6.197 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817464 FAGFLKDXAVYVFV-NNRJALBFSA-N 672.973 7.366 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1083996503 AAEBBLTYMZYSDC-UHFFFAOYSA-N 562.645 6.954 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084032926 JPWZTXCLLCMULC-UHFFFAOYSA-N 683.330 6.279 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2)cc1 1084034068 GLPPXCLIQVWSQW-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl 1084060539 JKVJDFLQLHXXOZ-UHFFFAOYSA-N 535.069 5.478 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084151068 KTAFQVDXSPCFEW-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084324957 OQEFARNROJUZPM-UHFFFAOYSA-N 600.210 6.014 50 10 KKGE CCN(CC)c1c(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)c(C)nn1-c1ccccc1 1084485886 RTAOUOLUVQYHLG-UHFFFAOYSA-N 593.761 5.462 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084564658 JUQIUZXFFXTQHD-UHFFFAOYSA-N 603.223 6.218 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(OC3CSC3)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084618382 YTZSGOVZKCVJPF-UHFFFAOYSA-N 598.068 5.507 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751341 ONPJXIFIDAHHJP-UHFFFAOYSA-N 517.383 5.621 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1c(Cl)cccc1Cl 1772760313 BAKNQYKZRVKYQK-UHFFFAOYSA-N 532.474 6.433 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 1865685426 IJWTYZQCSNPILD-VWLOTQADSA-N 509.396 7.217 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686183 SEQKQVZLGYDBBX-INIZCTEOSA-N 534.152 6.782 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865687833 BEARDFWENMJZLV-MHZLTWQESA-N 519.004 6.632 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(Br)c1O 1865688045 HKOYLDTYKZIEMM-QHCPKHFHSA-N 561.411 5.822 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688815 BQDZHNXIAMYBAF-SANMLTNESA-N 547.442 6.547 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865689558 CBSOCSKFHYHFRQ-HHHXNRCGSA-N 508.597 6.525 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865694425 YCFKCBZARIBIOL-VWLOTQADSA-N 543.023 5.886 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865696873 SPNXJOVBNCWHAJ-QFIPXVFZSA-N 533.813 5.938 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697302 PWRPYBQVRJSAQA-YTTGMZPUSA-N 562.714 6.739 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705380 UICYUAMQZQTGNT-GOSISDBHSA-N 553.324 5.675 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713040 PMMLHXIXLJBNJA-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE COc1ccc(CCCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866780863 XWJCYRMLJDACNS-DEOSSOPVSA-N 521.614 5.105 50 10 KKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867181699 JIVXXKSREQAMPE-DEOSSOPVSA-N 504.656 6.203 50 10 KKGE CC[C@H](NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867209084 NNDDBAGDPZICRS-CTNGQTDRSA-N 518.477 5.694 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)nc(Cc3ccccc3)n2)cc1 1868208142 TVCJKEWHZCRUPD-XIFFEERXSA-N 543.671 7.675 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 1872744385 PGFJIYRBBGVFPR-DKIZWKKFSA-N 503.624 5.274 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 1872745869 HGCCTCAPCFGWFP-ZZEZOPTASA-N 508.397 5.917 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c([N+](=O)[O-])cc1OC 1872754404 RBKLFIFDXAXTKW-UYRXBGFRSA-N 508.339 6.001 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c1 1872754803 JVALCKBMPCPPEE-LCUIJRPUSA-N 506.668 7.557 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872790764 DCPPSRWBZWNDQU-VCHYOVAHSA-N 501.421 7.272 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)c(Br)c2)c1Br 1922897331 MQNFYGUWFLVCOJ-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922934327 FMPJNLYFMDMMDD-NSHDSACASA-N 503.879 6.828 50 10 KKGE Fc1c(Cl)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924591373 QLRWRKOBILLFRK-SSDOTTSWSA-N 542.287 7.312 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924594957 ROGBWULOMWJYCX-SECBINFHSA-N 542.287 7.265 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1924594980 RSGZPKZGUGQOMY-VIFPVBQESA-N 542.287 7.265 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1Cl 1925587197 HQTRYOCIKWHQDH-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 2003567272 CLOSBEGXRGHZRL-ZETCQYMHSA-N 524.923 6.539 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012746 JNQCVHANFYXNMP-IONLOSIESA-N 630.590 10.101 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc(F)cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2042446568 KBEUFUYBTCBSDT-FAIXQHPJSA-N 548.606 7.083 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@]23CCCOC3)c1Br 2077424846 XAAYXCFQLZPGEH-GFJAWQGPSA-N 523.910 6.288 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2sccc2I)c1Br 2081057822 AZQZMVRQJSWJCU-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23COC[C@H]2C3)c1Br 2085494416 LSFGVVUDJRYJAR-VVEMVBODSA-N 568.723 6.209 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(F)c1I 2097825699 YIIQEGHXCNASED-GFCCVEGCSA-N 522.352 6.470 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1I 2097834223 JORJWHAQGXBJMZ-CYBMUJFWSA-N 518.389 6.639 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(I)ccc1F 2137638950 BMOQKVVDHXHNQZ-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(Br)ccc1I 2155826910 ZIAYQRAFDWRAJI-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE COc1cccc(Oc2c(I)cc(Cl)cc2I)c1CCl 2203195979 DXSPFKXHWTYVTE-UHFFFAOYSA-N 534.946 6.089 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCCC1CCC2 2206396523 XWGUPSKGFMGMQX-MLRNSFOPSA-N 550.354 7.987 50 10 KKGE Fc1c(Cl)cccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399527 IUBSGZFIZSKWMN-JTQLQIEISA-N 615.154 8.013 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1I 2217863540 DYFHNGDYYUFAQC-SECBINFHSA-N 585.324 7.324 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616019 CDAGKDORBJGVTG-LLVKDONJSA-N 519.832 5.814 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Br 2227349022 QGKSQHHJDFVKEM-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(I)ccc1Br 2229150834 DOBNOSKVPPQSDW-CYBMUJFWSA-N 579.295 7.148 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1ccc(Br)cc1Br 2255965879 ZNFTVLMHLQMDSD-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1 2272850446 VFKNFYLPJNDCJR-NSHDSACASA-N 519.803 6.737 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283581023 XRYGXTZXFKZVMX-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198415 KZLFMZZYLMZXGN-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645857 NXECMCABMXJXFS-UHFFFAOYSA-N 619.453 5.559 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3cc(OC)ccc3c2)cc1 2297450920 UUXNLGPMLNJEBK-UHFFFAOYSA-N 507.590 5.558 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2297458565 CPGVWGWJFXQODN-QHCPKHFHSA-N 536.426 5.331 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)oc1Br 2299526613 ZNTYNALSZOCAIJ-SFHVURJKSA-N 515.039 7.176 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314487395 IGXMHERXFOVXAS-UHFFFAOYSA-N 535.772 8.569 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592968 FEDFXTFTRDBDQJ-RBISFHTESA-N 525.674 6.006 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314618195 IYDNMGAOVVPDRT-NRFANRHFSA-N 532.575 6.040 50 10 KKGE CCOc1cc(C=C(C#N)c2nc3ccccc3n2CC)ccc1OCc1ccc(Br)cc1 2331071752 JAARPLXNSDIBNX-UHFFFAOYSA-N 502.412 6.861 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c(C)c1 2331478620 PRPRNKJRZRMALZ-UHFFFAOYSA-N 504.247 7.030 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360491542 HCJNPCFRHXGWQD-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(I)ccc1F 2365190848 IXOWAOSXTGQHFI-GFCCVEGCSA-N 580.830 6.887 50 10 KKGE C[C@H]1C[C@H]2C[C@]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368711663 FVLRHCKSVRXGHS-CCBCZWRWSA-N 552.326 6.974 50 10 KKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)C[C@H]2C=C[C@H]1CCC2 2377337940 RFJOAYFAZCTSPS-MRRJBJDNSA-N 510.051 6.354 50 10 KKGE ClC[C@H](Cc1ccc(Br)cc1)Cc1ccc(I)c(Br)c1 2377351104 APQAAMMFFYTFJP-CYBMUJFWSA-N 528.453 6.456 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 6075489 CJOYDLIVWDNREM-ABMSPVRESA-N 509.433 6.764 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)N2c3ccccc3Sc3ccccc32)c(Br)c1 13988927 KEAQNWKWTBMPES-UHFFFAOYSA-N 512.429 5.995 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14652993 OELORUKSDJMXQM-LBPRGKRZSA-N 504.208 5.019 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1 38660017 HKBGYIBYFVILQE-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38684323 QSIGBSKOAFFWGZ-NDEPHWFRSA-N 516.569 6.231 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCCC)c3)ccc21 38686176 GWKYOWNJBTXFGG-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)c(C)c2cc1Cl 38687637 XQTUCGJGIBWCTL-XMMPIXPASA-N 505.357 6.794 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc3ccccc3c2Br)c1 66201416 RNJLEFCNNYMASK-UHFFFAOYSA-N 527.459 5.631 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100186697 RWSVODJGAHVTSL-AWEZNQCLSA-N 591.355 5.818 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100189196 JEUJDGLZBMYCQJ-UHFFFAOYSA-N 615.388 5.403 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 100242208 SACWTTIHFSTKHD-UHFFFAOYSA-N 584.536 5.083 50 10 KKGE CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935305 LULQKOWJUIMTBL-DOPJRALCSA-N 516.156 5.813 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NC[C@H]1CCCO1 101012132 ATOJRGXYKVCBQV-FQCPBGGASA-N 539.035 5.974 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243879 CJBCLKCMISVRKW-RNMXVCEXSA-N 515.610 5.528 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101340537 BGCIMFGIUOYTGV-CVKSISIWSA-N 533.519 5.379 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101375563 NVMSWMYTLXJJKC-JGCGQSQUSA-N 591.104 7.209 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383654 ZRSQEWNWUAFFTE-PMERELPUSA-N 567.529 5.515 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101386719 IQWFDEIGHDEMNG-YTTGMZPUSA-N 566.585 5.924 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101395376 KISCQEIIYBJZHF-HKBQPEDESA-N 566.654 7.373 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Br)cc6c5C)ccc43)c2)cc1 101398255 GHOIQOKOKAZWQU-WJOKGBTCSA-N 621.487 7.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399772 MSNWMCYOKSZJGI-XIFFEERXSA-N 621.089 8.118 50 10 KKGE CC(C)(C)c1ccc(COc2ccccc2/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 101727383 GFKOCSLGDNKBHL-WCMJOSRZSA-N 550.149 7.582 50 10 KKGE N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc(I)c1 102134173 YVNQVDYIDNXTRG-HMAPJEAMSA-N 530.365 6.569 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)cc1OC 102924099 UNKQXKUVGYJPNW-CIAFOILYSA-N 547.032 6.815 50 10 KKGE O=C(COc1cccc(Br)c1)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 102936542 FDRVSGNTBRLRIS-CZCPAZJESA-N 530.850 5.047 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)ccc1OCc1ccccc1 103649404 LJERQWQDCKZGQT-NHDPSOOVSA-N 550.467 7.174 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 103694230 XBDIGIHTWSOLNI-XSFVSMFZSA-N 527.631 5.884 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 103796090 UEWXMICSIHFXNW-KEIPNQJHSA-N 560.610 6.712 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1 103806464 KCWCMSAMHSSTJY-ALQBTCKLSA-N 617.712 7.834 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1 103878698 HLFJZSQZXUCNIM-UVHMKAGCSA-N 542.227 6.609 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl 103884418 RSDKCXATWLSMOD-XIEYBQDHSA-N 576.922 6.666 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150413187 AHFGLTFSNCICCG-UHFFFAOYSA-N 629.143 6.146 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2c(C)sc(C)c2C2=C(P(c3ccccc3)c3ccccc3)[C@H]3CC[C@]2(C)C3(C)C)c1 169731047 BTWWTSUDALLJMO-YWZTWLIPSA-N 670.883 10.657 50 10 KKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(I)ccc1Br 232478048 PPYLIAHEZFIPRZ-CYBMUJFWSA-N 510.951 5.641 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1I 235822929 SREJXKJXAZWMOE-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE C=C(C)[C@H]1CC=C(C)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 252461680 NKOHUIVKVFKBDS-HNNXBMFYSA-N 506.238 6.148 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254289975 GXCZRCONCBFHJW-UHFFFAOYSA-N 552.634 6.801 50 10 KKGE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@@]12C)OO4 254520811 OZOBOQMZNAZDEM-CANKDUBSSA-N 530.749 8.258 50 10 KKGE Clc1cc(I)c(OC[C@@H](CBr)c2ccccc2)c(I)c1 380368544 LIPNUUNXOZJIOU-LLVKDONJSA-N 577.425 6.107 50 10 KKGE Fc1ccc([C@H](Br)c2scc(Br)c2Br)c(F)c1Br 707813477 GPJGZLBSMYQZCK-ZETCQYMHSA-N 525.832 6.798 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 725423817 BWVQUHPHRQIMTB-MUUNZHRXSA-N 687.372 7.149 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)cc1 1083942017 OQDVMWXLRWIPDZ-RUZDIDTESA-N 573.459 5.929 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084043275 ZSMUGQDQZGIGLM-UHFFFAOYSA-N 595.121 5.419 50 10 KKGE COc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1cccc(C)c1C 1084091474 FGXPXJKFFMQNPS-UHFFFAOYSA-N 507.805 5.592 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1 1084131921 RLCGSHIIYBWLPA-UHFFFAOYSA-N 526.681 7.425 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084210797 AYEWPIIQMCMVRH-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 1084481257 GWVIDLFVIWHCNX-UHFFFAOYSA-N 516.406 5.965 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084594918 LBWNNMTYASGREN-VIZOYTHASA-N 720.088 7.235 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748410 PXAZMEZSFBOUKU-UHFFFAOYSA-N 560.481 7.208 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687147 KLEPRRGEDYASQG-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687755 ZMALZXIDCCSNOJ-WJOKGBTCSA-N 542.639 6.784 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(Br)c1O 1865687846 BTGYQJXZEJYYFC-AREMUKBSSA-N 579.454 6.777 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865690998 GXFXEZONQJJVDP-RUZDIDTESA-N 554.613 6.753 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865694750 AUGYRKMGIZXIHG-HHHXNRCGSA-N 575.496 7.642 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697524 VRQGQUVRAZBSOO-AREMUKBSSA-N 543.023 6.215 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703605 CJZIPENLXCXWJS-VWLOTQADSA-N 517.416 6.539 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704930 IKDBQLUQIAQSIK-HHHXNRCGSA-N 544.998 6.630 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705732 DKKCHYDGQDNGJI-JOCHJYFZSA-N 501.905 5.517 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866880385 FUDIDBLXRNDBNS-MHZLTWQESA-N 548.624 6.062 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867117624 SNSUOOGTVCJGSZ-WNJJXGMVSA-N 557.622 6.132 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Br 1867212169 VPRPVYAZIBWVOZ-JYFHCDHNSA-N 566.521 6.657 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)n2)cc1 1868528170 OOWLVSWVDMJXFQ-MHZLTWQESA-N 548.672 5.805 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744364 OPEWJUWXSPKDKW-FXEAUDGPSA-N 505.599 6.073 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccc3ccccc23)cs1 1872752478 DWRHXAIYWARXQJ-RFBIWTDZSA-N 514.566 6.104 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2COc3ccccc3O2)c1Br 1924601497 XXIMZPNRFIGUPO-PSASIEDQSA-N 547.888 6.312 50 10 KKGE COCCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1996214913 NFWLSKBSBQSJAL-QMMMGPOBSA-N 511.899 6.288 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)s1 2029233896 YOYAFHLNNLDRBK-LBPRGKRZSA-N 500.037 6.470 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2c(s1)CCOC2 2103246110 GRMUMFNRMKNFBY-VIFPVBQESA-N 507.494 6.545 50 10 KKGE FC1(F)CCCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2108665205 RAIWGGSZACAXSK-HTRCEHHLSA-N 545.907 7.687 50 10 KKGE C[C@@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141468080 GFIJBKPELALVSQ-MHTLYPKNSA-N 552.248 7.605 50 10 KKGE Cc1c(Br)c(COc2c(Br)cc(CBr)cc2Br)nn1C 2150232380 BPAQWOGOSJMWRV-UHFFFAOYSA-N 531.868 5.490 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(I)ccc1Br 2179634923 AJBRRTUYSCKIQR-GXFFZTMASA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(C)cccc2Br)c1Br 2201072522 VMEJDCOFOWIEFY-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(F)cc2I)c1Br 2201080607 ZIGSQYHQEQZFMB-HNNXBMFYSA-N 532.416 6.900 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 2202998092 INRWENMDNGAGRT-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396980 CQMPLMAHQZGAGW-RXMQYKEDSA-N 618.652 7.760 50 10 KKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270485 BPGBJJVYRVMYOY-GXTWGEPZSA-N 515.027 5.222 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H](C)CCOCc1ccccc1 2225684604 CLFXKERXKFESSC-KBPBESRZSA-N 500.662 7.029 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510363 MPMYOPIJKLTRCK-LLVKDONJSA-N 542.707 8.310 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277966972 XBPULOSXBOKUTO-AWEZNQCLSA-N 532.295 7.306 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278026339 XJIMUZXLWOUGQJ-ZDUSSCGKSA-N 592.941 7.577 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1c(Br)sc(Br)c1Br 2295056986 MUJMXUAFUDTLIB-ZCFIWIBFSA-N 577.905 7.909 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1nc(C)sc1Br 2295372476 IJEINBCJFSTIHY-SNVBAGLBSA-N 504.469 6.431 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C(=O)OCC)c1C 2297467138 FUCRYEXIYBLUFW-UHFFFAOYSA-N 509.609 5.685 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551316 ABNJXHXPNZAICV-UHFFFAOYSA-N 526.730 5.776 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299523070 PSURSOHEKCPNIZ-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE Brc1cc(CO[C@@H]2CCCC[C@@H]2I)ccc1I 2306300468 AZKYTBUPFZSAKB-QWHCGFSZSA-N 520.974 5.317 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc2ccccc2c1 2313571227 QGRVOTJTIIPDGA-UHFFFAOYSA-N 543.450 8.008 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)oc12 2314450869 YXWDALBMSUCTNY-UHFFFAOYSA-N 560.429 6.395 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457080 YGRGCWVTCAQEHD-UHFFFAOYSA-N 502.220 8.204 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314487107 CJXGRVVJQSULLN-UHFFFAOYSA-N 600.612 7.060 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc(C)c1C 2314489852 VXOWNJXWGCSIAG-UHFFFAOYSA-N 531.037 6.593 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591791 FAHVDKWIMFWWAZ-RUZDIDTESA-N 570.036 7.295 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591810 FLOZJBDXNMWQMC-VWLOTQADSA-N 501.583 5.598 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591862 GJDVULSHDVFMSC-RUZDIDTESA-N 536.484 6.929 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592882 DDBJNKMQORSJMG-IADCTJSHSA-N 523.702 6.731 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314618004 FRLUNMLZULUGAJ-UHFFFAOYSA-N 515.013 5.600 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643444 YMLYGVXZUUIZRW-HKBQPEDESA-N 518.544 6.242 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314737192 QMTRRGMBNMYYFE-UHFFFAOYSA-N 554.643 6.115 50 10 KKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OCC 2314737251 UMVPENHOGVUXIK-UHFFFAOYSA-N 503.982 6.829 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231811 FRHDANFOBNGYEK-SANMLTNESA-N 519.670 7.448 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1OCCC 2331293288 SGIITPMKLQJTBO-UHFFFAOYSA-N 510.659 8.012 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331474410 FOAQAJKOQHHIMJ-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(Br)c1O 2331489369 VXMQLOMEKAXDFO-UHFFFAOYSA-N 507.409 6.903 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336078387 BALBUOVUJABESU-OAQYLSRUSA-N 515.072 8.081 50 10 KKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 10683635 QBRXJBNJBYBCEH-ZBLYBZFDSA-N 529.681 6.369 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 29491702 SKFXSRKLLBECCA-NHFJDJAPSA-N 567.715 5.573 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCCC(C)C)c(OC)c1 38660409 VEJCZFUDGMLHQY-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38682921 PBNZJXNQQTZBJY-CLYVBNDRSA-N 502.542 5.596 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38684692 SOBLJKBPKUDPKS-YTTGMZPUSA-N 518.613 6.631 50 10 KKGE Cc1c(C(=O)N(C)c2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816340 SSUHPNBOHSVLAS-TURZUDJPSA-N 500.382 5.407 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 58895128 UTRQYGGQKLLHLK-SIBAOGJBSA-N 517.582 5.265 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 59937522 YQYIQCMZJYEWEG-ZCTHSVRISA-N 502.530 6.153 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 100189089 QGNSMXCAXARXNU-LBPRGKRZSA-N 563.301 5.038 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212839 FWYIEAWCSWDDOT-OAHLLOKOSA-N 611.345 5.480 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 100237200 VFFAHFQRZJULOO-APTYXWLQSA-N 589.914 6.443 50 10 KKGE CC[C@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935292 JRPIGDSZZWVEGS-MWDDYTRKSA-N 500.113 5.463 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101246849 QDCUFECJBIVYMY-KVILUOORSA-N 518.038 6.030 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101333296 NGHYBKSLRVNNCJ-OVVQPSECSA-N 508.622 6.109 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 101333554 LNCOPIKNUHSHRP-ZXVVBBHZSA-N 522.649 6.419 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Br)cc1 101363759 NKNAHBUCMNFWJV-OAQYLSRUSA-N 516.178 6.193 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101368432 VKOMFDSKDXSZDB-YTTGMZPUSA-N 556.659 6.446 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5)ccc43)cc2)cc1 101378642 WKFFISBUCNTZHV-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380312 YHPFLFIHRCNSOZ-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385368 HDHNRWWCWFIMQM-GFJKYASSSA-N 580.612 6.313 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101390837 QTKUFUOUEKTEQE-NDEPHWFRSA-N 581.496 7.789 50 10 KKGE C[C@H]([C@H]1CCC[C@@H]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C 106804734 VSPUBGCATGQRGJ-WVQWTBLQSA-N 562.559 9.793 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 107536354 ODJCIRRWUHYJFK-YVLHZVERSA-N 546.299 6.501 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 128786780 PJSYVNURWVYULE-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OCc1ccccc1 150423643 YCPRCGHLLQGOBR-KCSSXMTESA-N 632.393 7.406 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 150646975 OYXSVBMIKAJRER-IHMSYIQPSA-N 656.527 6.492 50 10 KKGE Br[C@@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155253591 OEPUJWMPMQIGOR-NEPJUHHUSA-N 658.881 5.975 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205658275 DVEZHIOZFWHBNK-SLYNQVRGSA-N 568.670 6.890 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1-c1ccccc1 206747372 BQFHLAMHJIKHSY-ULJHMMPZSA-N 522.557 5.553 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214313015 XPEBLHLKHVUSNA-MZFJOGFUSA-N 577.644 6.306 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1OC 214371106 IFRLZJFBKRIONT-VQNDASPWSA-N 668.725 7.110 50 10 KKGE O=C(NN=C[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@@]2(F)Cl)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@](F)(Cl)[C@]4(F)Cl)cc2)cc1 252630224 UXJICYMVFNDWNU-OVYKXEMPSA-N 708.367 7.841 50 10 KKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 254347664 JNEIWYNNQOWCLG-UHFFFAOYSA-N 518.828 6.599 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)o3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254475946 XMXQSCJFHHOTGO-UHFFFAOYSA-N 503.628 5.384 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254594631 UQCALHNNGKWIAK-UHFFFAOYSA-N 634.696 6.459 50 10 KKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C\c2ccccc2)cc1OC 254635079 WPZGRCTZODFGQB-XSYRLPLYSA-N 534.410 5.013 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 254739894 BUSFMBVVHZJWQP-UHFFFAOYSA-N 587.894 8.268 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccccc1C(F)(F)F 254815206 JCXQXCGFVAJNTC-UHFFFAOYSA-N 518.611 6.245 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 256018206 NOUPIVKSCFRGCM-SZIQQBSTSA-N 536.548 6.634 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 256019026 GZSHTIMVPSVPCP-GGPXRAADSA-N 548.308 7.055 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H]2CCC[C@@H]2[C@H](C)c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)ccc2C)c1 575629825 ZBMVOFSEXRPEMA-WQRPFZPGSA-N 762.799 11.738 50 10 KKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)sc1Br 705411359 WRMJWPGWOCAELC-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(I)cc1 725438522 QWDAQDZRMVCGEU-UHFFFAOYSA-N 616.308 5.718 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(Cl)cc1 1083928759 XUCSSEGNJRFWPK-UHFFFAOYSA-N 520.976 7.137 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1083972599 MXPBDSHTDDTLKO-DEOSSOPVSA-N 657.332 6.548 50 10 KKGE COc1cccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1OC 1084030014 JSWBEQCKCQTFTP-UHFFFAOYSA-N 578.090 5.825 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 1084195318 IRZSVRFQEYLIAY-UHFFFAOYSA-N 548.690 8.291 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 1084272518 UWJYHFYJNMACJW-UHFFFAOYSA-N 569.640 6.949 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1 1084346887 VWQRRUVGXBNUIQ-XDHOZWIPSA-N 558.803 6.468 50 10 KKGE CN(c1ccccc1)c1ccc(C=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084406491 XSKIBWUUZFRAQQ-UHFFFAOYSA-N 514.423 6.560 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 1084456324 XMYFZYHLEJJLAP-GCJKJVERSA-N 506.386 5.532 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084576212 SALHJYYGQRECMS-UHFFFAOYSA-N 504.377 5.087 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747494 INHKQHXZSPEUQS-UHFFFAOYSA-N 516.395 6.226 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748837 UNTFTGSKJNVCJG-UHFFFAOYSA-N 545.777 5.635 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748993 VLICVEPUWAANDC-UHFFFAOYSA-N 502.861 5.151 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685066 DMZWXFKHMPEGND-NRFANRHFSA-N 538.232 6.827 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685264 HJOAEKUJLZZERU-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 1865688136 KFHLZIJSDUZCPS-MUUNZHRXSA-N 561.469 6.395 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OCC 1865689612 UHYWJRVBOINBCP-IBGZPJMESA-N 549.347 5.669 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691966 GLGZAZXNSCDUGE-RUZDIDTESA-N 524.577 5.100 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865692530 MVGGXHGZBYOJPU-LJQANCHMSA-N 563.374 6.059 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700899 HGDRHRLEUZSTLY-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865702987 KELIHKDCMRUYQX-VWLOTQADSA-N 547.442 6.862 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709396 BJJHNOSPWKSXRC-DEOSSOPVSA-N 516.960 5.626 50 10 KKGE CSCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780700 GMGLQOVAKLUNCZ-JWQCQUIFSA-N 507.656 5.797 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866781197 OTNWIABXUNJATK-VMPREFPWSA-N 557.622 6.132 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1 1866812093 BRRXGGVAZWAQGI-SANMLTNESA-N 535.691 5.217 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2)cc1 1867026608 LELIWMWZSPRRIL-WJOKGBTCSA-N 549.696 7.099 50 10 KKGE CC/C(=C\C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115072 UUQFIXWESVDAQO-UGOOHZPOSA-N 580.504 5.896 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867137825 GKXNYKAEXLTRMO-PXJZQJOASA-N 570.114 6.810 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 1872750995 PICZESYLKFBSJD-UOODYVSWSA-N 515.635 6.130 50 10 KKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758911 WJJKTSBSRFHKNZ-VKAVYKQESA-N 509.258 8.104 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1sc(Br)cc1Br 1922933241 UHKVMWVZUAETGP-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)Cc1ccccc1Br 1923047152 AJLNQSFWBMQYAU-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE C[C@@H](Br)Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951710384 XUKMPWYSQWLKCW-SSDOTTSWSA-N 691.911 6.173 50 10 KKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2002402267 OPNKAKPRMBESSL-DSYKOEDSSA-N 511.899 6.287 50 10 KKGE Cl[C@H](CC1COC1)c1c(Br)c(Br)cc(Br)c1Br 2025780685 WCQDNLUUSAUXDB-MRVPVSSYSA-N 512.261 6.053 50 10 KKGE BrC[C@H](COc1c(Br)cc(Br)cc1Br)C1CCC1 2029291775 REGLIMJMZCOVAR-SECBINFHSA-N 505.870 6.164 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)ccc1Br 2050465416 WCNSDQSOZMYPQM-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12C[C@H](CO1)C2 2085499027 FFJODGKUSALKBY-LVRCTXOYSA-N 524.272 6.196 50 10 KKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469307 UNPYISQVHFONOH-MATHAZKKSA-N 584.766 6.988 50 10 KKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2185101798 BRGUHKDHXZCHIS-MFKMUULPSA-N 515.027 5.078 50 10 KKGE COCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206395959 RUUJDCYCXPRKOX-CYBMUJFWSA-N 554.342 7.223 50 10 KKGE Fc1cc([C@H](Br)c2ccc(Br)cc2I)c(F)c(F)c1F 2207275882 QDHLZCKKRPGSIE-SNVBAGLBSA-N 523.887 6.094 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(I)c1 2225635110 STDHZPUQCWUMLP-CYBMUJFWSA-N 522.352 6.423 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)s1 2233021702 OCCFYQNHICLOKH-ZDUSSCGKSA-N 547.932 7.056 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c1Br 2233185719 LACBGACAYHVMOA-NKFUZKMXSA-N 596.777 6.988 50 10 KKGE Brc1cccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2238062934 KTATZGCLZGGJIJ-CQSZACIVSA-N 525.860 6.393 50 10 KKGE Cc1sc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1C 2277888157 IJZDUECAEXWLEA-GFCCVEGCSA-N 531.933 7.331 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc2sc(Br)cc2s1 2278096258 JEGXKXSJQZGBAY-CYBMUJFWSA-N 532.035 6.953 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC 2293415037 IMBCFQFJAYXLPY-UHFFFAOYSA-N 549.071 5.515 50 10 KKGE N#CC(=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2295672408 VJUACCQLITXEQJ-UHFFFAOYSA-N 505.279 6.777 50 10 KKGE CC(C)COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 2296798401 PETORJVFJSDVGL-UHFFFAOYSA-N 516.535 5.614 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C(C)=C(C#N)C2=O)cc1OC 2296854980 GXMSLISPEBNZRG-HSZRJFAPSA-N 614.702 6.023 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2297458635 NZEBUJYTGQFTMY-QFIPXVFZSA-N 617.750 6.930 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2313570849 HRUPRWRWZLOXRS-UHFFFAOYSA-N 534.446 8.664 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 2313571226 QFXGZRTZNUIXDP-UHFFFAOYSA-N 502.614 7.400 50 10 KKGE O=C(CCN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 2314488582 LHKFAQYBQWHNOR-UHFFFAOYSA-N 523.105 5.218 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314619615 CLRYTWYJIOEOEC-UHFFFAOYSA-N 530.983 6.249 50 10 KKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646640 HIYQFLTYJLUGJH-NDEPHWFRSA-N 602.716 5.381 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646897 TUUJURAQRRJYMN-YTTGMZPUSA-N 701.204 6.688 50 10 KKGE COc1cccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1ccccc1Cl 2328824656 JTEPNJQIFMPLFJ-NRFANRHFSA-N 504.027 5.317 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 2331231774 ATHHINIPONTKQK-GOSISDBHSA-N 505.599 6.821 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240050 KIPUFZGAEFXHPM-UHFFFAOYSA-N 517.610 6.435 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 2331412962 XDALFCSTMUQIRD-UHFFFAOYSA-N 510.612 6.363 50 10 KKGE BrCC[C@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349836699 QXLRIAISFFKROU-GFCCVEGCSA-N 501.044 5.441 50 10 KKGE COc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 2364188770 RLLFQRMORXJQLO-VIFPVBQESA-N 612.801 7.485 50 10 KKGE Cc1ccccc1C[C@H](CBr)Cc1ccc(I)c(Br)c1 2377354588 WSXFMFOHUSPDFX-CQSZACIVSA-N 508.035 6.158 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2377593139 DWWQAVSERZXGND-NWANDNLSSA-N 518.027 5.291 50 10 KKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981835 CTPVDPOQZONRHV-FQEVSTJZSA-N 504.508 7.108 50 10 KKGE Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/CCCC[C@H]3C)cc2)c(Br)c1 33044088 NAFAAWLDHRYRRX-WZGVVIIOSA-N 508.254 6.395 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCCCC1 33509680 ILMMDTMBENHANT-PLRJNAJWSA-N 523.036 6.691 50 10 KKGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 38608338 YHTOVEPVGXVKOV-JJIBRWJFSA-N 532.637 5.506 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)ccc1Cl 38655479 LPSRFTBICHZMES-XMMPIXPASA-N 515.780 6.158 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 38679314 RZUNQVLUVYTXEI-GDLZYMKVSA-N 514.578 5.303 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 38681187 AQSDWHLVJGSYQW-GDLZYMKVSA-N 526.589 5.876 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38685461 YGDNLRHTQDBRNA-SSEXGKCCSA-N 526.633 6.728 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 39992820 MUALIGJHYACWMV-OQKWZONESA-N 506.606 6.255 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(F)c2)cc1 59304145 NFMFEEYFILWNJK-KEIPNQJHSA-N 503.577 6.935 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235636 HQJQTIMRWJNMLJ-SWOYFSSUSA-N 556.413 5.299 50 10 KKGE CC1(C)[C@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 100869374 AGSGUFCWCBDQMN-KEPFCHILSA-N 540.178 6.003 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 100883594 FCOHUGNRFNLAOS-CEUNXORHSA-N 535.600 6.596 50 10 KKGE CCCCc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 101206949 FJMZYQSQDXCOOJ-LJAQVGFWSA-N 535.673 6.190 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246485 SMMVKIOSUIFSCY-DBTLDAOKSA-N 586.035 6.995 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246636 JVSXCPQHTOZJLS-HEQFHQOESA-N 520.010 5.422 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101314705 KGLPSYLVJCTHSJ-QHCPKHFHSA-N 549.435 7.210 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 101340160 ZAFXOKTVMGRSAE-NJZRLIGZSA-N 586.692 6.480 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101341312 NAVQOLVEHFKASD-WPWMEQJKSA-N 552.631 5.180 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 101372975 PZFPYGGIDZVOMG-BEIAQELNSA-N 535.427 7.009 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 101374631 VQQLUILGJGARNM-KEEVHDRGSA-N 560.622 6.384 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101375642 QOYKHGMSOPDGRO-LJAQVGFWSA-N 592.048 7.043 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 101377970 XMIMMSGZJVZZQY-UMSFTDKQSA-N 546.667 7.555 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379124 STTVNFFDTGDNBY-PMERELPUSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384513 VTAYGGKFFNNDRD-SSEXGKCCSA-N 540.978 6.424 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385410 AMVIPNJOVNXKQW-UMSFTDKQSA-N 576.649 6.402 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387401 ACNZGHVRJUNUAL-GDLZYMKVSA-N 601.974 6.412 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387440 ZAHVFMYIZFNYJS-LJAQVGFWSA-N 607.877 7.672 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388328 ZRDPNYBIQLWJBB-PGUFJCEWSA-N 625.121 7.644 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101394639 WMZVLIMJYDMBBZ-HSZRJFAPSA-N 585.896 8.088 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2c1 101397997 LZYDGUQIQPPZGG-HKBQPEDESA-N 611.481 8.373 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccc(Cl)cc12 101398828 DMKMERMQQTYGPK-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)oc2c1C 101398863 QNQANGCDYCSQBF-HKBQPEDESA-N 574.608 7.514 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2c1 101398919 UNEYNACVJKZSRY-JGCGQSQUSA-N 625.508 8.627 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F 101512544 RBCAJVJYPFZCAS-ZDLGFXPLSA-N 540.345 6.020 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 101680604 SWZAMPUYDUIVSJ-WGOQTCKBSA-N 597.465 6.332 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)ccc1OC(=O)c1ccc(Cl)cc1Cl 101953855 QGFIJWACOYJVQJ-FKFLJXRVSA-N 557.430 5.809 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1 103876819 CEWACPVFBBPLIO-ZSNJKBEMSA-N 612.955 8.520 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 103876878 UKSGOJPKKXERGZ-AMVVHIIESA-N 558.259 7.574 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1 150430748 FMQMTJOFWNXBKS-WIQDYGPDSA-N 698.339 6.146 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)oc2cc(Br)ccc12 150483011 ZUUDJOVZKNGSQX-PMERELPUSA-N 641.905 8.174 50 10 KKGE O=C=Nc1ccccc1Cc1cccc(Cc2cccc(Cc3cccc(Cc4ccccc4N=C=O)c3N=C=O)c2N=C=O)c1N=C=O 159606656 AHXPEHBCIOCGOK-UHFFFAOYSA-N 643.659 7.886 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 214345819 MSQWVKUHLWKOEY-IMRQLAEWSA-N 529.556 5.282 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214346766 RSPWZJXRIYQBLU-OFWBYEQRSA-N 542.639 6.163 50 10 KKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(I)cc4C)cc3)sc2c1 217254243 IMBRSBVUOAUBBA-JXAWBTAJSA-N 550.425 6.643 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254428360 IFBPLVFWGRZSEK-UHFFFAOYSA-N 543.649 5.181 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 254506811 GWAAXGIKXGBXKX-UHFFFAOYSA-N 528.590 5.063 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 254855365 UXUOPNZXXZFIRU-UHFFFAOYSA-N 518.610 5.575 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256018995 FJHQZJIDQBXWEZ-BDRYJEMJSA-N 623.382 5.848 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019844 IACTWMDTMFCIDM-UNOCMMMMSA-N 726.550 8.165 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cccc(I)c3)c2O1 720048975 DMRCBVRIMDWKEI-VFZGTOFNSA-N 507.991 5.861 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1c(Cl)cccc1Cl 1083908960 RWHGDFUVGSXSMA-GDNBJRDFSA-N 522.215 7.433 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1083955352 WCCZHCRTSPFPED-UHFFFAOYSA-N 531.834 6.243 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 1084059839 AAAMOHISMIURAP-UHFFFAOYSA-N 613.714 7.621 50 10 KKGE CC(C)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084230513 HPHNAWWGGRKLLT-UHFFFAOYSA-N 520.438 5.126 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 1084339144 VPWSGVLLIGHAEB-YBFXNURJSA-N 507.340 5.281 50 10 KKGE CCc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2cc(Br)cc(Br)c2O)c1C 1084344725 RAAJMVKMERADDH-UHFFFAOYSA-N 533.264 5.959 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084394233 CZBTVKGBFOPEMH-UHFFFAOYSA-N 588.833 5.857 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084399861 RPIAWKXAUCIMMB-UHFFFAOYSA-N 551.488 7.387 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 1084478294 YEADIQKQFGDHLS-UHFFFAOYSA-N 519.646 6.681 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c2cccc(Br)c2)cc1 1084526517 VPUHWXLKDGJUEO-UHFFFAOYSA-N 626.960 6.336 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2c(c1)OCO2 1084646895 RCNAVIDUQPMBDM-UHFFFAOYSA-N 569.661 7.253 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1C#N 1084650402 AUMIIHPREGDTSJ-VXLYETTFSA-N 571.258 7.151 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748398 WUYJOANZGNDAPL-UHFFFAOYSA-N 536.213 5.775 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)ccc1Cl 1772749527 MOOHPKQSSIDVIE-UHFFFAOYSA-N 535.811 6.311 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687948 DTHQLVXHKHUDJA-NRFANRHFSA-N 543.849 5.622 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865688471 SLJASJIEAGHKPH-VWLOTQADSA-N 546.549 6.395 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696665 PWPIOQZAHBMWDN-NDEPHWFRSA-N 571.077 6.997 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1OC(C)C 1865696791 KNPIZGISHKYYRM-SANMLTNESA-N 527.024 6.266 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697668 YYUUHBWETNANCT-MUUNZHRXSA-N 541.051 6.326 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699605 YBJQLCFMZNGQKN-SANMLTNESA-N 503.562 5.266 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccccc1C 1865702893 HTYYZNACGBSQIJ-LJAQVGFWSA-N 524.596 5.883 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703028 LFYHTBKWMUKSQJ-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703806 GDKSJMFNYXHELP-MGBGTMOVSA-N 578.647 7.688 50 10 KKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865759298 SIYSXMBJSMVBPI-HSZRJFAPSA-N 504.417 6.151 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1OC 1872781325 ADZWINHAOHZHNQ-WLRTZDKTSA-N 522.218 6.122 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1Cl 1872793897 ZOPYAHZGLCTJPE-CIAFOILYSA-N 503.023 7.432 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872794475 DGAXHZMKSQHEEF-YBFXNURJSA-N 517.478 8.157 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)cc(Br)c1 1924042162 YZVKZQWTMDORJF-XLKFXECMSA-N 512.865 6.609 50 10 KKGE FC(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924607867 ADTNQKWXPFRTIP-RXMQYKEDSA-N 503.826 6.517 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23CCC(CC2)C3)c1Br 1924614028 VUCKLXYMJDKHPF-HTARLIKDSA-N 507.911 7.052 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 1945454195 LOPLZRQLXHHASI-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2000490717 GUOTWZGNPLEZAM-MRKVFDINSA-N 517.853 6.763 50 10 KKGE C[C@@H](C1CC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780174 POBBIRKUMGLMMH-RRAGMBSWSA-N 554.740 7.219 50 10 KKGE Clc1ccc(C[C@H](Br)c2ccc(Br)cc2I)nc1 2086149369 NDHLYNHSFYJAGY-LBPRGKRZSA-N 501.387 5.781 50 10 KKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(Br)ccc1I 2113464697 YTVKKKZARZNLAK-NSHDSACASA-N 518.389 6.525 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cc(I)ccc1Br 2117893632 IPTPVWBESVFAMF-JTQLQIEISA-N 550.016 5.167 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2136384507 QKZCJHDYJYIIJC-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)c(C)cc1Cl 2142286471 CZEAATUWEUIUBH-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE ClCc1cc(Br)c(OCc2ncc(Br)cc2Cl)c(Br)c1 2183581511 LNIAPMJBDUUBHN-UHFFFAOYSA-N 504.831 6.340 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2236106066 ARBHGRGTIUTQFG-NSHDSACASA-N 523.887 6.094 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(F)cccc1I 2255957265 NLVNWYWDPXBLBN-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE COc1ccc([C@H](Br)c2cc(C)sc2Br)cc1I 2257352453 CZTOAEVGICLCHS-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Cc1ccc(I)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277954649 FHEYLTZOULFOAQ-AWEZNQCLSA-N 558.877 6.803 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277958378 FAGGWCLBCPUQPJ-ZDUSSCGKSA-N 532.295 7.306 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293198339 WGKUJAHUEAMQQL-QHCPKHFHSA-N 526.420 5.875 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cccc(OCc3ccc(F)cc3Cl)c2)s1 2295669915 KLVSMADTALWPFL-UHFFFAOYSA-N 512.990 6.404 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCCCn1ccnc1 2296545967 DJWIMNQNQGHKNG-UHFFFAOYSA-N 546.606 5.567 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c4c(cccc24)CC3)cc1 2297451124 PXWKBUDBUQZZDJ-UHFFFAOYSA-N 530.672 6.096 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)cc1Cl 2297462860 UCYPJKALRGGJEX-UHFFFAOYSA-N 519.989 5.346 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1 2313510859 ADZMTPXRPMEGTD-UHFFFAOYSA-N 606.201 6.020 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 2313546008 VNNXHJGILTXFDM-UHFFFAOYSA-N 534.663 7.067 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592622 YRPJUWHOROOGJL-SANMLTNESA-N 516.066 6.837 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593493 NUZHPPYVMCKKHY-SANMLTNESA-N 584.063 7.225 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 2314610209 FBAKKNPNFORPIJ-UHFFFAOYSA-N 542.639 6.511 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617928 DEWKFGJUHONJHW-JOCHJYFZSA-N 514.585 5.901 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314619105 ZULXRSBZAOUCNZ-HHHXNRCGSA-N 590.683 7.472 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620176 LMGDQIXYJCFCTP-UHFFFAOYSA-N 591.491 6.815 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 2314772512 BKXQAHDQBIUKTJ-UHFFFAOYSA-N 516.388 5.344 50 10 KKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2331300392 AJPYRQJMPMDQRP-UHFFFAOYSA-N 520.463 6.241 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNS(=O)(=O)c2ccc(C)cc2)n1 2331364722 QLTCUHYPXNDCFY-UHFFFAOYSA-N 510.424 5.205 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)cc1Cl 2331378736 WLAXZAAOLJXIME-UHFFFAOYSA-N 512.971 5.921 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335290526 QDNXLBFXENZQEN-SECBINFHSA-N 512.851 6.907 50 10 KKGE Clc1ccc(COc2cc(Br)ccc2CBr)cc1I 2337270745 OMFPNJHOLPHTDF-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1Cl 2365216969 ZRKLUVKLOSSWOC-NSHDSACASA-N 505.834 7.450 50 10 KKGE FC(F)C1(CBr)CCN(Cc2ccc(I)c(Br)c2)CC1 2377314328 GDNUEBXDCBICJL-UHFFFAOYSA-N 522.997 5.296 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 6906522 RWVUVCLAXFPDIP-WQRHYEAKSA-N 508.328 5.491 50 10 KKGE O=C(CCC(=O)N/N=C/c1c2ccccc2cc2ccccc12)N/N=C/c1c2ccccc2cc2ccccc12 12575148 GWEXSSDAKCLUAM-JTOYJDTJSA-N 522.608 6.680 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1Br 14641120 LJAYUXOXWJHIKT-UHFFFAOYSA-N 512.857 5.011 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCCC(C)C 38684342 XAZFOFUJSCHEAH-SSEXGKCCSA-N 528.605 5.713 50 10 KKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 40822097 ABQHEEVUROQHHF-ZTKZIYFRSA-N 515.393 5.912 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870011 UHJKEBVQMKLESU-HSKHQUHESA-N 510.590 5.716 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 40890388 JTTARHVVRXJQHO-UPKKXIRLSA-N 513.546 5.372 50 10 KKGE CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 100206047 MBJKBWUYLYMUTB-VIZOYTHASA-N 546.188 6.046 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869744 CARLQAXHBFOQCH-VTNSRFBWSA-N 605.471 5.946 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 101012137 DGFMLXZNLVSFFF-ITYLOYPMSA-N 545.042 7.626 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337752 PKFWFTPCCRCRSZ-MOEMHDQYSA-N 542.639 6.682 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 101368046 IZCOJCNONIBHOC-SSEXGKCCSA-N 542.632 6.489 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 101374653 CWPJKBGOIYLVME-UMSFTDKQSA-N 562.666 7.174 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 101374655 GUGQZGHAOYAVRC-JGCGQSQUSA-N 548.639 7.245 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101374722 LNHZAYJKCNAYHC-WJOKGBTCSA-N 577.077 6.819 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101376963 XVYSYTWBAAXUKW-MUUNZHRXSA-N 563.448 6.221 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380911 VTVFRTQUPBEKHU-UMSFTDKQSA-N 556.593 6.924 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386261 CCBNYUMXGDOCQA-YTTGMZPUSA-N 597.067 7.152 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388295 KZAPXKFQIDHJOM-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101392705 ABEIEGVSIBEBDV-XMMPIXPASA-N 533.005 6.399 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCCC(C)C 101393330 MQCYLUSOOHTIBJ-GDLZYMKVSA-N 538.600 6.612 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)CC1 101399355 HNUQECAJQUWEET-CFXMIPBISA-N 601.143 8.048 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 103700045 UXEZNBRCTDQDSJ-KEBDBYFISA-N 530.989 6.527 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 103879714 DBHRHVNMQPJKHK-JEPNHJGPSA-N 582.473 7.697 50 10 KKGE CCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 139862948 RZRQJICXYQPEQJ-GQTDWIADSA-N 518.742 6.342 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccc(Cl)cc12 150483241 MOIVVSAATCYHFD-SSEXGKCCSA-N 631.899 8.718 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2c(c1)OCO2 164742249 ULHAHSOAZYTNDB-FRKPEAEDSA-N 623.230 6.460 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214243418 GTLKDLDHYXTMJV-OIADIFTFSA-N 534.660 6.344 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214295689 DTDGBRWAVYHAEJ-BRPDVVIDSA-N 552.675 5.983 50 10 KKGE CC(=NOCC(=O)NN=CC1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1cccs1 254453163 XGQFPGHIVNVTKU-LJAQVGFWSA-N 507.615 6.227 50 10 KKGE CCOc1ccccc1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 254852447 ZRRASVPNXWXWFB-UHFFFAOYSA-N 532.691 5.276 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 256833442 WBXYUFMFVHCXRR-DVOMRHDUSA-N 683.882 6.083 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2)C1 382739409 YTUYVQPWUZNDKY-AEFFLSMTSA-N 500.174 5.236 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616668054 GJDRTWVBIRCWML-NDEPHWFRSA-N 507.772 7.134 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C 1084001098 NRFYGQCOVVFONY-YTTGMZPUSA-N 536.701 6.249 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12 1084219422 OGGWSRUKBVDUQA-ITYLOYPMSA-N 582.498 6.446 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084244174 IUGSXSRWCFQWCP-UHFFFAOYSA-N 538.276 5.941 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1 1084408240 GEXVYWNMNITRMD-UHFFFAOYSA-N 507.384 6.245 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)c1 1084573193 WSUQAHWBDOLDJN-UHFFFAOYSA-N 567.427 5.703 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc2ccccc12 1084603598 YEYXWIWGYKMRDD-UHFFFAOYSA-N 655.286 7.305 50 10 KKGE CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084613977 BXUMACQTFPEBHY-AHPZMPFVSA-N 520.073 7.079 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1Cl 1772747417 BMUOWTXAWFSNBY-UHFFFAOYSA-N 526.036 6.791 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748581 RJWSHVISKVURBP-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 1772752880 QZIRNRJOCVGTJM-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755346 BXCGVZKMDGLUTJ-UHFFFAOYSA-N 504.428 6.105 50 10 KKGE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](Cl)[C@@H](Cl)[C@@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 1848435183 OGRRKRDGTDQHQF-OCNKFEMZSA-N 579.971 6.375 50 10 KKGE CC[C@@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665489 MYLPOKATQGVMSF-MBLGZIERSA-N 644.617 10.347 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685717 MANWNKFKSBBUJD-NRFANRHFSA-N 523.807 6.726 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687144 KJEMSYCXXIAVSN-RUZDIDTESA-N 525.024 6.082 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1 1865689873 FKVUUAQUOCPHKS-XMMPIXPASA-N 521.459 6.374 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865690942 FMCVHBNFMFTLBB-HSZRJFAPSA-N 526.559 5.973 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692627 HBWOJMBTCZSTEU-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865692809 IMEASKBAIAKGDZ-VWLOTQADSA-N 510.569 5.753 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 1865700775 DEAWXNUFKANDKV-SANMLTNESA-N 567.860 6.947 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(F)c4)CC3)nc(-c3ccccc3)n2)cc1 1868365562 SPVMQEDJBGHOPF-UHFFFAOYSA-N 524.669 6.354 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)n2)c1 1868506547 YSILVESKDMJBON-UHFFFAOYSA-N 571.728 6.159 50 10 KKGE COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(OC)c2)ccc1OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1887508515 ZYKHUWILCDTKGB-MBIPSJRMSA-N 975.115 11.485 50 10 KKGE C[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898077799 DQTUQUFOINPMIQ-YZNMAWMESA-N 540.713 6.829 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(S(C)(=O)=O)cc2)c1Br 1922886270 RRUWPSDJINCIGY-LLVKDONJSA-N 503.075 5.469 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066829 VOICBEYLNXCFML-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2083332824 KAPNXMWQTFJJJP-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE CC(C)(C1CC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496886 YFEIJSGNHHQZFG-GFCCVEGCSA-N 524.316 7.453 50 10 KKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2108660664 CAKUTGKPPBYABK-SVRRBLITSA-N 501.456 7.578 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2137659299 NHFIJJVSPPLARS-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCCC[C@H]1C2 2141468887 OVZGJTGBWRLQIV-UQYDATMWSA-N 536.327 7.597 50 10 KKGE FC1(F)CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472645 GRHVDXWGRQOPKY-ZCFIWIBFSA-N 590.720 7.608 50 10 KKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613035 KWLJWGXBVRIACH-JSGCOSHPSA-N 515.027 5.222 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)c(Br)c2)c1Br 2201067906 BVOBUSUYSMMHSF-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(Br)c2Br)c1Br 2201069563 KXRCCNKMDCRIEM-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE FC12CCC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CC1)C2 2206395739 QAFGRBHREKJZHV-IYXRBSQSSA-N 554.317 7.689 50 10 KKGE CC(C)(C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2206398993 BCTUSDQIBRPHJO-ZETCQYMHSA-N 610.726 8.151 50 10 KKGE Cc1ccccc1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206403348 GWKJLIXNGRNPNL-LBPRGKRZSA-N 546.322 7.568 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(I)ccc1Br 2206562162 AOCSPXBQLNCCFH-CQSZACIVSA-N 574.876 6.618 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)cccc2Br)c1C 2218781594 OPIXKUXKJLXPBS-NSHDSACASA-N 517.906 7.137 50 10 KKGE Brc1sc(C[C@H](Br)CC2CCCCC2)c(Br)c1Br 2222469814 CWPQNSYZXJCWSD-SECBINFHSA-N 523.954 7.312 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)sc2Br)c1 2263451117 UQXBXFPBGXRWAM-JTQLQIEISA-N 582.775 7.477 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)cc1Br 2267749837 PJVBCWLPGGEZEN-QMMMGPOBSA-N 621.183 8.075 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277959488 UESXREFJVJONRY-GFCCVEGCSA-N 515.840 6.792 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 2295482932 CGGFKKVPZOFIJC-UHFFFAOYSA-N 583.622 5.016 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 2296507070 RNMNZEQSKHODIH-SANMLTNESA-N 544.463 7.212 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527944 NIDCLXYMZGCSAE-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Br)cc1 2313567913 PODMWXRMIOTGFD-UHFFFAOYSA-N 580.910 6.336 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 2313568952 ZOCRZHSAQYWUQD-UHFFFAOYSA-N 595.118 7.952 50 10 KKGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571091 NEGZERRPACGLKG-UHFFFAOYSA-N 610.029 5.458 50 10 KKGE Clc1c(Br)cccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314448947 MADIOMPMPJQPCR-LJQANCHMSA-N 501.045 7.772 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 2314533304 QAVNRKNBRTUACJ-UHFFFAOYSA-N 563.397 5.824 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314611111 QVDKBHZQUXIKRX-UHFFFAOYSA-N 545.555 5.249 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617126 RBLZHOJCEZQTJQ-UHFFFAOYSA-N 537.576 5.381 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314619562 BKPIZQWMWIQCPL-UHFFFAOYSA-N 516.956 5.859 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 2314620562 QPDMNVBRZAYUPW-UHFFFAOYSA-N 560.629 6.568 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCCC(C)C 2314634781 KZWJPZKAXGLWLX-HKBQPEDESA-N 524.617 6.347 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643219 IVKOLQMEIZSJKC-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE C=CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3S2)nc2scc(-c3ccccc3)c2c1=O 2320729555 JRUQVZKXNNYFAH-UHFFFAOYSA-N 514.657 5.925 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331256677 OADROBZEZDKUBW-UHFFFAOYSA-N 516.579 5.930 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1C 2331259163 SQVHEBMEXKDAEX-UHFFFAOYSA-N 508.559 5.268 50 10 KKGE N#CC(=C(O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccs2)cs1 2331326570 IVGFFCRWWVTKIG-UHFFFAOYSA-N 519.692 7.471 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 2331411684 BOTKJGLSQFDVJS-UHFFFAOYSA-N 517.950 5.811 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCCl)COCc2ccccc2)cc1Br 2343788981 OLVGYSFDPOJLSO-OAHLLOKOSA-N 525.690 5.013 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Cl)cc2Br)c1Br 2362248156 AOMQSWLNRWYDHY-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE BrC[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2377319451 XYWUETXOMNPJKU-XEZPLFJOSA-N 513.055 5.582 50 10 KKGE Clc1c(Br)ccc(CBr)c1OCc1ccc(I)c(Br)c1 2377641823 KIXSQMXLNZFZDL-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 35548386 VRTJQIMVLKKORA-XAHKRDIJSA-N 520.298 7.486 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655955 YJYAAPDFLGRABO-AREMUKBSSA-N 523.416 6.493 50 10 KKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c1 39858845 FDLAWCUZHIIMQS-PTNGSMBKSA-N 507.333 5.348 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822586 HRFUIQVFVWASBE-AWQADKOQSA-N 519.645 7.320 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 58891425 RGQMRHZDXWFNKQ-GXZQEHIMSA-N 511.962 5.190 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)c2ccccc2)cc1 59211831 URDTZYYSLOPJPU-LOYHVIPDSA-N 562.651 5.045 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 100235858 XGOKBHLAGPTYNO-LCVHJTKWSA-N 559.432 5.538 50 10 KKGE CSc1sc(SC)c(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c1/C=N/NC(=O)Cc1c[nH]c2ccccc12 100379951 GCLILYRRGFFRPY-IHXWQEJPSA-N 574.757 5.540 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245138 PNGDVCBQYSRCDI-OGCOBRASSA-N 548.462 5.831 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101333365 GOWRPAKIMXMCGH-VFCFBJKWSA-N 585.730 5.352 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101337587 YYRXBMNGDJXMLI-UJUJBVAOSA-N 542.595 5.664 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 101339878 YSLRGZUWJKQVMH-JVWAILMASA-N 545.555 5.249 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101340698 HLDHBYVDOCSZAP-NDZAJKAJSA-N 591.111 7.410 50 10 KKGE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 101350695 OKNMWXYWNJIYFB-JCMHNJIXSA-N 540.000 6.674 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101362013 JJCJYSATBIUBLW-HXUWFJFHSA-N 546.448 5.373 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc21 101368895 TWCBLIBFXIYEQS-LQCSZWMHSA-N 559.460 6.592 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 101378037 TYIAVZOSUNFSDV-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381537 HSDCOPBTQDJQIT-RCKGABTRSA-N 534.999 6.756 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101388821 SIGRMOFJIXDQMY-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1Cl 101394460 JWGXHGHUIMXJFI-HXUWFJFHSA-N 519.743 6.232 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398300 KCUPKEKTOLUFBZ-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399508 PMXIXULNQPJPOV-FIRIVFDPSA-N 580.568 5.377 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 101405998 PKHODYRWMZQGCP-WBRURWICSA-N 583.449 5.179 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 101619875 CMKFLBCOBMGKCL-WEMUVCOSSA-N 581.456 5.732 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 103739380 BYIDASLJHBMHPR-VFLNYLIXSA-N 570.797 8.935 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 103742676 DNCHLNOAKYPPKO-QBHDBVHESA-N 516.381 5.468 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2-c2ccccc2)cc1 103789570 XKYLUHROELOELL-MKFPQRGTSA-N 606.726 7.244 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1 103806536 MFJAXLLTIQUIQK-FDAWAROLSA-N 593.706 7.558 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1 103884443 YCJRGBULXVGBKM-XIEYBQDHSA-N 621.373 6.775 50 10 KKGE COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 105423036 RGZNKSGYMAZWFW-COOPMVRXSA-N 548.621 5.060 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cc(Br)c(Br)s1)OCCO2 128553180 LVUUUDWIHLDSQQ-GFCCVEGCSA-N 547.888 6.291 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 150409051 OUQUOCRWTGSDNT-UHFFFAOYSA-N 643.170 6.030 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 150428362 OMOINASECPPLKM-NROYUWHNSA-N 708.338 5.369 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463298 UGMIJGAQZSEKBA-HKBQPEDESA-N 645.470 8.212 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485746 QWUXIQVDTHDEAP-JGCGQSQUSA-N 665.957 8.054 50 10 KKGE C[C@H](CCBr)CCOc1c(I)cc(I)cc1I 155121740 VZQLIIBWFMMIOX-MRVPVSSYSA-N 634.859 5.690 50 10 KKGE CC1(C)[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 155255268 PEJVDJROFJDRAU-NXEZZACHSA-N 632.843 5.441 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2csc3c(Br)cccc23)c1 161116647 WSVCQNFUAKYIJG-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 163797748 YYIYZTOZLBLWGF-FDALDRLYSA-N 642.981 8.610 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 163808110 VZUVGYHPXAIGAY-QLQYKETESA-N 700.533 7.707 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 205671303 BHTFTLQHHPVKNR-HXMIJXCRSA-N 562.597 6.640 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214358953 KGRVDYAMVQFWQX-DXJNIWACSA-N 572.640 6.792 50 10 KKGE CC(=NNC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254560416 SRXMNSOVVSRWKH-VXKWHMMOSA-N 522.443 6.236 50 10 KKGE CC(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C)CC[C@@H](C)C(C)C)CC[C@@H]2[C@H]2CC[C@H]3CC(=O)[C@@H](Br)C[C@]3(C)[C@H]12 254589465 GXFFJSAUBRBFMJ-WXKHAKFASA-N 537.623 7.838 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nnc2-c2ccc(C)cc2)cc1 254705014 XRTDGOOHWJOIKW-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2cccc(OCc3ccccc3)c2)nc2ccccc2c1=O 254844659 DDQFBTJBIARBPR-UHFFFAOYSA-N 534.641 5.516 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 504782020 SGGANCFJEHZNCI-RMSWAOOXSA-N 979.452 7.344 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725425750 IQNQHWLQXFMTNP-JRJABSJZSA-N 618.803 7.372 50 10 KKGE C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COS(C)(=O)=O)[C@@H]5CC[C@]24C)[C@H]13 888105685 XHOMEDAIVJJPRG-JWCPSUEUSA-N 564.760 5.653 50 10 KKGE CC[C@H](Oc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 1081159547 JQMQDQYHIBNCMY-KRWDZBQOSA-N 679.796 5.733 50 10 KKGE O=C(CCCNc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084028678 HRJIXYGLYOADNU-UHFFFAOYSA-N 500.824 6.024 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1OC 1084090457 FAFRRLKKUWESIY-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 1084092356 RPBJEHFITDPLHC-UHFFFAOYSA-N 639.221 7.832 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 1084171270 ZDWSLBWXKYADJB-DEOSSOPVSA-N 545.861 6.044 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084298208 XFPHTBYIKAABDA-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084483949 GEBGCCPJTITRCQ-XMMPIXPASA-N 541.442 5.399 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 1084504711 QXQOICFUEVEPIQ-UHFFFAOYSA-N 510.830 5.377 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Cl)CCCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538112 UYCWFCMOPJKMKJ-QDOPHRPOSA-N 533.281 10.416 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641918 IUWVMNUUFNFRJK-WMLDXEAASA-N 545.171 5.145 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848433547 FZTPBALCQSLXDA-MXOPNTKESA-N 769.218 10.984 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865691580 VXIXTNMGQHAUDB-FQEVSTJZSA-N 503.441 5.270 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691997 HAASWBVCYLZHEJ-XMMPIXPASA-N 544.995 5.445 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCCCc1ccccc1 1865697486 UPFHBIJAHYOFMH-RUZDIDTESA-N 546.549 6.129 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700721 BWMJHDNNLPHKFC-QHCPKHFHSA-N 514.969 5.437 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702612 BZCWCAUMJMMAGL-AREMUKBSSA-N 565.888 7.251 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865703333 TYMLTBKHQNKLTM-SANMLTNESA-N 508.578 5.563 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cccc(OCc2ccccc2)c1 1865711865 JOHJBLCQNJFSGH-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713218 UJCKDCCRWYISIE-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Br)cc1 1865714404 JPRNUEWYIAHFMO-JOCHJYFZSA-N 535.804 6.372 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867128574 SRSOCXZIVVFDHF-JTSKRJEESA-N 532.504 6.228 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccccc4)C(=O)C3)n2)c1 1868506387 WOSYZBNQFNANAY-UHFFFAOYSA-N 508.607 5.322 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3Cc4cc(OC)c(OC)cc4C(C)(C)C3)n2)cc1 1868527925 KHUDQIRBCDJJMT-UHFFFAOYSA-N 567.715 7.174 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1F 1872752839 VNSPSTOJLPPUTG-QTVDBSQPSA-N 509.784 6.634 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCC(=O)N(CC)CC 1872782550 MOFDQERINSYLFE-MFKUBSTISA-N 515.679 6.399 50 10 KKGE Cc1scc([C@H](Br)c2sc(Cl)cc2I)c1Br 1902877578 XXGACBLBNOIHPN-VIFPVBQESA-N 512.457 6.623 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(F)ccc2Br)c1Br 1922896831 ISKVAQCSQQWFJX-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE CS(=O)(=O)c1sccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924570231 GUJAYFPVLDKURP-SSDOTTSWSA-N 529.522 5.829 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1csc(Br)c1Br 1937734951 SOGUCTNCIXKPSB-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)s1 1948824200 VZGWRJZRDGXYAR-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Cc1cc(Br)sc1[C@@H](Cl)c1cc(I)ccc1Br 1950208325 PZODRJJDHIKCCC-NSHDSACASA-N 506.428 6.514 50 10 KKGE CS(=O)(=O)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780662 VYCRLQGOBATPDG-ZCFIWIBFSA-N 578.740 5.217 50 10 KKGE COc1sc([C@H](Br)c2cc(Br)ccc2I)cc1Br 2034630613 XMBVZGWERDJKQV-LLVKDONJSA-N 566.878 6.371 50 10 KKGE CC(N)=C(C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCCC3 2040426322 QPVVYENEVDJSIY-UHFFFAOYSA-N 518.586 5.152 50 10 KKGE O=S1(=O)CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493550 CYOYAYYFQWFKGB-JTQLQIEISA-N 546.300 5.061 50 10 KKGE Cc1cscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494059 JXGCKJKXVYVRDM-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE CC(C)(C)[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 2111375321 WSWHGPWYBGDKMO-PHDIDXHHSA-N 503.472 7.680 50 10 KKGE COc1cc([C@H](Br)c2cc(I)sn2)c(OC)cc1Br 2120031355 ILLJSIAOBSOWAD-LBPRGKRZSA-N 518.996 5.012 50 10 KKGE Brc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141472017 YZOAYYIOOFUWGC-JTQLQIEISA-N 726.540 8.807 50 10 KKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(F)c1Br 2142290352 AXMFQZJUAVBQLQ-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE CN(Cc1ccccc1)[C@H]1CCCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179785222 JBVSYBZNXVUYLV-INIZCTEOSA-N 536.355 5.081 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 2179826232 QCCZPFSHOAUWNQ-UHFFFAOYSA-N 529.216 5.796 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2csc(I)c2)s1 2217983300 LJVMBFOBGPHQQK-LLVKDONJSA-N 522.065 6.198 50 10 KKGE COC[C@H](C)OC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2222471715 MITJUQRBZNSLRF-NKWVEPMBSA-N 529.914 5.393 50 10 KKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)c1cccc(Br)c1 2222472324 OUSZSSNTUVYONZ-MRVPVSSYSA-N 538.324 7.321 50 10 KKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1I 2240007057 OYJHKGCDLXEETR-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1I 2256337819 WTHYPAIVEYXYPL-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(F)cccc2I)c1Br 2282787833 VBWDXZCOCUCKEB-HNNXBMFYSA-N 576.867 7.056 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283584805 SAFOJRMJMQEIBB-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE COc1c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)csc1Cl 2288354962 NDRQRGYHALLENB-MRVPVSSYSA-N 511.407 6.698 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCCC[C@@H]1CC2 2288995675 FOHVEWGXHYSULF-BKQRNIBNSA-N 550.354 7.987 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 2294168310 CZQLOPATSTWWRA-UHFFFAOYSA-N 554.606 7.664 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 2296453386 QAGNTHOJEGTRBR-HLRULVCWSA-N 526.922 9.641 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521453 PFRQHWBITTWOGU-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Br)cc1 2313630274 CTQZHRAGJJVFLS-UHFFFAOYSA-N 562.489 6.784 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 2313675791 SLNNWLVZMVXQBO-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314610537 JEOABYFJZFDVTP-UHFFFAOYSA-N 536.676 6.665 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314618305 LATOUCLGDCFGQU-UHFFFAOYSA-N 587.120 6.779 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634860 WSLPELBYFZFKGY-NDEPHWFRSA-N 535.427 7.009 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 2331324312 IOCCATZRQDKMAQ-OAQYLSRUSA-N 505.621 5.338 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OCC)c1 2331388999 FESQOIAZHYDUCW-CQSZACIVSA-N 505.423 7.174 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331447418 RASXPGWXTGCNDJ-UHFFFAOYSA-N 525.432 8.216 50 10 KKGE Cc1c(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)ccc(Cl)c1Cl 2339408974 BUXAEMHBZNBXSN-LJQANCHMSA-N 514.231 6.023 50 10 KKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)oc1Br 2339653203 HBJLFNZWKRVJBH-JTQLQIEISA-N 519.828 6.807 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642090 SREJQMYEOOKTOY-SFHVURJKSA-N 511.416 5.235 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(OC)c1 33716784 PGXFEAYQRXAWMR-HKWRFOASSA-N 500.938 5.008 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 35445935 VCKVCXPQCHDILL-USHMODERSA-N 513.688 7.078 50 10 KKGE N#CC(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)=C1Nc2ccccc2N1 38183799 SPSHVPQFOQWYCR-QINSGFPZSA-N 505.509 5.077 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)c1 38659632 FKCUVHIAXSCGST-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)c(C)c2c1 38687911 HLMZZBWYRPIHHP-XMMPIXPASA-N 515.363 6.250 50 10 KKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815510 FKLMNSFTAIIERB-JJNGWGCYSA-N 505.618 5.549 50 10 KKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cc(Br)ccc1OCCc1ccccc1 100206087 UDCAPRJOEHRPFX-UHFFFAOYSA-N 529.843 6.014 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 100237011 UQPZLMAIJICDAR-HHUCIZBTSA-N 579.908 6.987 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100327389 CORIFXSRTQOMCO-WGJSBGIVSA-N 566.279 6.307 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NC[C@H]1CCCO1 101012379 MQJNUEYDZMZXGP-MXSUWCSOSA-N 539.035 5.974 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C1 101014170 HGMRIEWTIMRADC-QQJOZCOBSA-N 579.751 6.880 50 10 KKGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 101304991 GKOBOHZFOWYTSY-SANMLTNESA-N 544.076 6.417 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101333055 HNNURMIFGJZKLS-NDZAJKAJSA-N 577.084 7.164 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 101336416 GEMXSBJEHPYNBS-OGLMXYFKSA-N 543.627 5.824 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 101339601 KQNZYTLEQKCOPW-NLRVBDNBSA-N 500.639 6.535 50 10 KKGE CC1=NN(c2ccccc2C)C(=O)/C1=C\Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 101350698 RCDLHDVGEUGMHE-JWGURIENSA-N 519.582 6.329 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCCC(C)C 101375157 URPWJKCQLJDGGT-APYJYERMSA-N 570.686 6.664 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101393072 HXZRNUYMCSABRS-MUUNZHRXSA-N 603.469 7.129 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 101396759 IBLQWVAOZXSKEX-VWLOTQADSA-N 531.033 7.171 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1F 101399389 PGRGBBQEPMLOGP-WJOKGBTCSA-N 590.563 5.957 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1OC 101766186 AHKINZNGXOGCAG-LIMNOBDPSA-N 534.632 5.028 50 10 KKGE COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 103201054 BPDKIEKWCSVVBW-XVFWWQTCSA-N 548.599 6.342 50 10 KKGE COc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)cc2c1 103764470 GLMPTNXYEHMYNO-APSNUPSMSA-N 550.821 6.953 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 103795978 ROTSITRHUNKZEJ-GUBAARJWSA-N 604.548 8.287 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150429038 MRCDDBZAXRZKNF-MGBGTMOVSA-N 665.540 8.227 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430635 QEHGQUKNVGWOSU-XIFFEERXSA-N 635.116 8.427 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481973 BQJPJAJDPSOZMV-DHUJRADRSA-N 673.593 8.977 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccc(Cl)cc12 150482190 RCHIVSLTZPEICI-SSEXGKCCSA-N 631.899 8.718 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 150486406 JAJLSKILZYSSBP-NRFANRHFSA-N 636.738 8.070 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@]1(CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195934038 MFONQURJGXWANN-JTNFPWQOSA-N 617.021 5.599 50 10 KKGE CCO[Si](CCc1cccc(CC[Si](OCC)(OCC)OCC)c1C(C)=O)(OCC)OCC 196513890 MDIRKAISRHCKAR-UHFFFAOYSA-N 500.781 5.071 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)[C@@H](OC(=S)Oc3ccccc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 206559202 QUXFYGIIXJYECI-VOHIZFTDSA-N 776.077 8.261 50 10 KKGE in-vitro CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 214217666 ZKRBPAAEIBDTCP-IMRQLAEWSA-N 508.622 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214249109 DMEPLXIMPKSVBU-PKAZHMFMSA-N 522.649 6.273 50 10 KKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 252623024 OIHDJCFHHNBZGM-UHFFFAOYSA-N 545.477 7.142 50 10 KKGE Cc1cc(C=NNC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(I)cc1 254309876 JGNTUBGZYRYYCN-UHFFFAOYSA-N 617.079 5.693 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254416468 HYIGRZYKFAUYNI-UHFFFAOYSA-N 552.627 6.436 50 10 KKGE CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@]12C)OO4 254520834 OZOBOQMZNAZDEM-ZKQHWAGCSA-N 530.749 8.258 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1 254623523 JCGLPCDWHRQOIB-UFRMOSHKSA-N 539.701 6.382 50 10 KKGE Cn1cnnc1SCc1ccc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 254797594 IBRRHBLBKFRXAP-UHFFFAOYSA-N 518.646 6.341 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccccc1C(F)(F)F 254823611 UWYASXHXIJJQEW-UHFFFAOYSA-N 542.608 5.587 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)CCc1ccccc1 255981089 JKHADYMACPRLAF-UHTBKBIFSA-N 596.840 8.410 50 10 KKGE Clc1cc(I)c(Oc2ccc(Br)cc2CBr)c(I)c1 311433885 SDDWTPBRTCBZID-UHFFFAOYSA-N 628.267 6.999 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)cc1Br 385889593 DBIGYKVUEJBJCU-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Brc1cc(Br)cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 394657715 AWJYCXUVWDRPMN-YJBOKZPZSA-N 535.061 5.862 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1Br 705438143 KDPRBECTSSXYOA-SNVBAGLBSA-N 519.878 6.529 50 10 KKGE CCCCCC/C=C\CCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C 888086277 XYPQRGATRHFUQH-JFEGDSMRSA-N 697.971 10.289 50 10 KKGE in-vitro CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083818410 QCJSYZSJARHGIB-LTLCPEALSA-N 620.903 8.306 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(O)ccc2ccccc12 1084018957 HANNNSJDNSLFID-UHFFFAOYSA-N 522.634 5.331 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 1084061368 ZDWMYUFWGNRTND-UHFFFAOYSA-N 510.421 5.871 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084108031 OQKBXRMDOPXGRT-UHFFFAOYSA-N 554.559 6.150 50 10 KKGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1084358263 DLRZFODVVNGEME-UHFFFAOYSA-N 691.910 6.465 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1084481283 WHTSWZULSZTKLI-UEVFNHKWSA-N 509.694 6.526 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747499 IRAFSPFVHZXJGF-UHFFFAOYSA-N 578.250 5.203 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(-c2ccccc2)cc1Br 1772753920 HDPGGMGGGZGYQS-UHFFFAOYSA-N 503.396 6.197 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681243 IOQZKZDFTBOHDF-VWLOTQADSA-N 563.441 6.236 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682114 GGZJWTDXGMIFLD-AREMUKBSSA-N 559.497 7.429 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687289 NSKIMKLUUIPCMM-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865691329 PPCVOZMVJBPIIA-SANMLTNESA-N 500.643 6.392 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1 1865701534 XPDRRTNTKXSBOK-HHHXNRCGSA-N 541.051 6.665 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1c(Cl)cccc1Cl 1865703034 LHTXMYUPERGRGS-MUUNZHRXSA-N 579.459 6.882 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 1865704440 VXEPFIRNEMRWQY-HKBQPEDESA-N 573.096 7.666 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)c1OCc1cccc(C)c1 1865704818 FLRMAAWJZNTAJG-GDLZYMKVSA-N 520.633 5.971 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865705948 KIMIHOKTPOSCDZ-MUUNZHRXSA-N 550.659 6.329 50 10 KKGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866619638 KCJRDUXBKIKMOB-HHHXNRCGSA-N 586.739 5.572 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866688679 JNQSSIVQIAFWQB-IZLXSDGUSA-N 506.631 5.347 50 10 KKGE CCCC[C@@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867029199 KHLQSGONAHXWRT-DHIUTWEWSA-N 549.722 5.627 50 10 KKGE Cn1cc([C@@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c2ccccc21 1868207580 OIVPDWAETYYAMK-SSEXGKCCSA-N 545.672 5.553 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868301718 VQWWDZJBEFJPAF-DEOSSOPVSA-N 556.533 7.743 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)n2)c1 1868506141 RJVUUPVZUGBGRX-MHZLTWQESA-N 555.107 6.542 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H](C)N1c1ccccc1 1868544386 CWFTYHFGZFVKPR-DNQXCXABSA-N 548.760 7.861 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccccc4)C3)n2)cc1 1868544931 OIZXZOWPDDEDDT-HHHXNRCGSA-N 521.690 7.336 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c(OCC)c1 1872755199 CMTLMRJNUUEUBS-FXBPSFAMSA-N 518.376 6.162 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccccc1C 1872795028 JAYGEONLRWRMSC-CIAFOILYSA-N 521.469 8.467 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Br 1898078454 NXPUQEINEJXUIO-IUYQGCFVSA-N 540.669 5.703 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071096 GQRYXOORVPMSSD-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE Fc1ccc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595004 SGBVDXWXZZEDLD-SECBINFHSA-N 542.287 7.265 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924602188 UASREGSGIJUUOM-MRVPVSSYSA-N 557.849 7.539 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@H]2Br)c1Br 1995046750 APUUVODNONCOPG-JJXKXHSHSA-N 605.582 6.956 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2025783808 QLTFXAXJRLCISN-UTNXVAPVSA-N 512.261 5.787 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc(I)ccc1Br 2083331415 YYMOUMXBJWGAIG-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2104787745 UKPLSPWPUJFART-MRVPVSSYSA-N 528.318 7.865 50 10 KKGE FC(F)(F)CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206396632 ZAJNUXGDWFTFDJ-JTQLQIEISA-N 564.259 7.749 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397577 KWWLAZZYHLSCTG-RYUDHWBXSA-N 560.296 7.842 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2233976277 NWPWTMUJMHYNPQ-AWEZNQCLSA-N 550.285 7.559 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)cc1I 2269544352 OBPNLSACMVYJCP-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)c(OC)c1 2294918914 VWEPMLJCOIJWPV-NSHDSACASA-N 505.453 6.428 50 10 KKGE COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1 2295384329 DIBRXOVWLFBMAC-UHFFFAOYSA-N 653.160 7.254 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296507118 UGKHXOVALLJLCC-JOCHJYFZSA-N 563.293 7.365 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)c(=O)n(-c2ccccc2)n1C 2296540284 LLVLQLMNXMKKNW-UHFFFAOYSA-N 558.642 5.670 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1C 2296724870 SOZORRTZSILYOF-UHFFFAOYSA-N 505.983 5.404 50 10 KKGE O=C(NC(=CSc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297497977 SJYZHOXSPQHPAG-UHFFFAOYSA-O 516.626 7.002 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1 2313565342 UEGNVJJJEUZNPG-UHFFFAOYSA-N 507.634 5.649 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1 2313567747 NXYFIQORPZHNKU-UHFFFAOYSA-N 592.537 7.166 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314451256 CZDKLGDSTYVXPZ-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NC1CCCCC1 2314476244 LIIHEYLLOZFQSL-UHFFFAOYSA-N 520.608 6.613 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2314533561 RRWCERNFLWWXBD-UHFFFAOYSA-N 531.366 5.112 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314610412 HXKQDBOXMODIMR-UHFFFAOYSA-N 592.699 7.520 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314618225 JRMIJXFOHGLJEH-MUUNZHRXSA-N 604.710 7.780 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2321698134 LZFVZHJVQGPQSQ-UHFFFAOYSA-N 528.008 5.378 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC)c(OCc4ccc(Cl)cc4)c3)nc2c1 2331046444 XWJQCTAAJWXVKZ-UHFFFAOYSA-N 501.926 5.427 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335356360 PSCUSKSVMYKMQR-SECBINFHSA-N 511.863 7.512 50 10 KKGE FC(F)(F)C([C@@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2336084112 QHOMHLDSQLAUKT-AWEZNQCLSA-N 506.078 7.205 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)s1 2337090655 PZKKRZABNASYLF-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE C[C@@H]1CCC[C@@](CI)(OCc2cc(I)ccc2Cl)C1 2352253627 MSUGLRAGXDVOOO-IAQYHMDHSA-N 504.577 5.845 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2nn(C)cc2Br)c1Br 2365233222 FJWODRRLYHORBB-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 12492724 XKURVZIDVBHQGP-UHFFFAOYSA-N 508.416 5.382 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38688754 OVASWLTZBZJANX-AREMUKBSSA-N 510.546 5.813 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 39858781 ZTUIJHQEDJOZPL-AQTBWJFISA-N 519.388 6.265 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814615 FVPPYEXYLVQWOM-NDZAJKAJSA-N 514.460 5.167 50 10 KKGE O=C(c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 59515116 SWBJMVQWGWSWFZ-GSQIWVKLSA-N 595.077 6.014 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100213527 MYOKBMVXFTYOBY-DEOSSOPVSA-N 533.422 5.653 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(I)cc2)cc1 100234873 KZUDNSUQBUOVJG-WVVPCBRLSA-N 558.416 5.233 50 10 KKGE COc1cc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc(Br)c1OCc1ccccc1Cl 100326116 CXDKZZGOIVKBCC-WKULSOCRSA-N 556.844 5.581 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NCc1ccco1 101012134 WLUMHXDGPNJGBI-JLPGSUDCSA-N 535.003 6.588 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101286663 JOUVXNIXDLNCDU-RUMWWMSVSA-N 584.676 6.256 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101293400 BQVGZPRQDIHMTE-YTTGMZPUSA-N 560.606 6.276 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCCC(C)C 101374852 AICLPMAYEQAHAM-MUUNZHRXSA-N 533.024 6.601 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383753 CCTNQXPNGWGVEY-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384215 ZPMQNWZDVZYHBT-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384324 WWEBOUKYDQUSQO-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384534 WYGUAHYHQUEHFQ-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385756 OQVYBAZSZLJTAK-XIFFEERXSA-N 611.094 7.544 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1F 101386589 BAMTVHWYBYXGPY-HKBQPEDESA-N 552.558 5.616 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc(OC)c1OC 101393477 INFWVHYJWTUZJF-QHCPKHFHSA-N 557.386 5.465 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 101393636 LREAGUNBQGFSSR-XMMPIXPASA-N 549.352 6.089 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(/N=N/c6ccccc6)cc5)c(C)c43)coc2c1 101620278 IMHZCOVVXSIOSH-CRLCECSWSA-N 573.653 8.018 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C)cc1 101727067 LRQCHNAGMHTZOG-IPPBACCNSA-N 582.545 6.711 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(OCC)c(OCC)c(OCC)c1 101729110 KLUSPKVCKXLFTE-HYARGMPZSA-N 548.592 5.317 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)N/N=C\c1c(Cl)cccc1Cl 101953923 DNNYIGJZHWICGE-MPUCSWFWSA-N 559.867 5.810 50 10 KKGE COC(=O)CS/C=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102579646 SJNYDFUMLPVICH-SLMZUGIISA-O 512.591 5.116 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103797038 NPAYVHCQUGSWAW-KKMKTNMSSA-N 603.223 6.218 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2cc(Br)ccc2o1 103876608 MVZRKDZYNLTEJU-YSURURNPSA-N 522.580 6.635 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 103876641 BOACYCCTTSBRKA-KVSWJAHQSA-N 595.220 6.696 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103929159 MKWUPPREOHIJHY-FJEPWZHXSA-N 567.071 5.153 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150421625 LJUVPRJZWOBPFT-UHFFFAOYSA-N 688.236 6.021 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462279 KZPUCCSVXARLQO-WJOKGBTCSA-N 671.931 8.182 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 163793315 FGBIVMUGRYGHOX-ODNPBWNPSA-N 687.388 8.019 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 214271433 QVTIQPKUOXNBTI-CEUNXORHSA-N 536.676 6.747 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 214273126 GQJLFXMXEKZQME-QQXSKIMKSA-N 510.663 6.290 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214331782 SRKONVPDPFDKGP-UXOBJBFUSA-N 528.612 6.291 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214336527 LOCCJQZVSNNREU-RQBNMVCMSA-N 584.720 7.626 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 215972932 PPFHNIVPOLWPCF-HGJUEJDCSA-N 541.071 6.075 50 10 KKGE O=C(c1cc(Br)ccc1I)N(CCBr)C1CCCCC1 232487244 RBKWWUMOVZJURX-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE CCCCCCCCCCCc1nnc(SCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)n1-c1ccccc1 254869936 PCCBFUDYPBVEEV-CDCNRBBDSA-N 637.850 8.202 50 10 KKGE CC1(C)O[C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 301054662 FGVFROJJJDOTDT-AXEMHBPCSA-N 684.924 8.698 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1sccc1I 382512543 PQCBXQKUECQTBH-GFCCVEGCSA-N 516.036 6.225 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585722 FAGFLKDXAVYVFV-NTYGKXENSA-N 672.973 7.366 50 10 KKGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1 725395763 NPMHIDXBQCDGAH-UHFFFAOYSA-N 557.006 5.025 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1083928742 QAZORCMPDVUZBJ-RQZCQDPDSA-N 591.245 7.187 50 10 KKGE C#CCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1Br 1083978077 TYEWDHLUVCPVKW-UHFFFAOYSA-N 505.412 5.316 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1[N+](=O)[O-] 1084046527 ICQNNMMTLKZZPN-UHFFFAOYSA-N 531.616 6.841 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)c1 1084049236 XODVXHKKNJKVAD-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1 1084073676 ZMESAXZICKNUAO-RUZDIDTESA-N 613.452 5.113 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084074529 YIDCWRANSGYIJY-DEOSSOPVSA-N 624.757 6.807 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc2ccccc2c1 1084180581 ZWNLNPJYQMGNKT-UHFFFAOYSA-N 583.482 7.819 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 1084218718 YOQKZYJATZXREV-VWLOTQADSA-N 624.359 7.096 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1 1084274741 QFQZIYFAJXJVGU-YDZHTSKRSA-N 566.439 6.740 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(O)ccc2ccccc12 1084573640 SQBJPEHXOGAYHV-QGZVFWFLSA-N 612.497 5.171 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@@H](NC(=O)c4ccccc4)N(C)C3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 1565534959 NYYLNLXPSZHDLV-SCLDVKORSA-N 780.007 7.126 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748217 OUSZOQBCTFQKDY-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(OC)c1OC 1772755758 QQPZAZDBXHDAFI-UHFFFAOYSA-N 507.425 5.082 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCC)c(OC)c2)c(Br)c1 1772756248 PWZCZQYIIKSOAW-UHFFFAOYSA-N 528.241 5.101 50 10 KKGE CNC(=S)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 1774020813 BWTOQVAVHCPYRY-KPOXMGGZSA-N 535.798 6.052 50 10 KKGE CCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665376 DCIQOWDTOXIBKI-AUZYXSGWSA-N 505.227 9.347 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683008 CULIUXLVGGPHKQ-RUZDIDTESA-N 512.013 5.545 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865687537 UDWQWSVOGLHSTH-SSEXGKCCSA-N 540.623 6.404 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865687635 WKTLRWYVUZAMPW-SSEXGKCCSA-N 564.686 6.711 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OCC 1865687821 AZJZOAAPQMTBCG-VWLOTQADSA-N 507.034 5.943 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865687937 DJSPRGCLQGHABS-MHZLTWQESA-N 553.449 7.285 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689247 NGBSIHAFGFESGS-QHCPKHFHSA-N 559.420 5.302 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690260 MZZMTKVOPNVJMY-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(C)cc1 1865695595 QGLWJEOXPQFTNG-MUUNZHRXSA-N 545.014 6.147 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695659 FSCJGYVEMNVKSB-VWLOTQADSA-N 527.452 6.673 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865696119 CNHJMEYRBIZOKR-QFIPXVFZSA-N 512.532 5.550 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1 1865701018 JTMSVYJVCOJKHR-NRFANRHFSA-N 532.950 6.017 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701581 YSUSLYZAAGQQCS-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703971 JRZUZWRYECRGND-YTTGMZPUSA-N 540.667 7.061 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)c1OCc1cccc(C)c1 1865704879 GWPBVOFLLHJAAB-SSEXGKCCSA-N 528.612 6.448 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706405 VWSRODKJVQCAAC-MHZLTWQESA-N 541.051 6.261 50 10 KKGE CCC[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866601259 NYNACPYDQVCCNP-DEOSSOPVSA-N 538.739 5.586 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867210770 KEGWAOPBJYLJIC-AREMUKBSSA-N 540.620 5.146 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)[C@@H]2CC(C)C 1868301538 RKPMNLLRJDFDQH-GDLZYMKVSA-N 519.718 8.227 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1)C3 1868457095 ZXPPYNJJEGGNCQ-UHFFFAOYSA-N 522.609 6.652 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)n2)cc1 1868528696 ZGWCZQNPTCNLMB-MHZLTWQESA-N 540.624 5.676 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)ccc1F 1872749868 LBBNBVYFIXOKDN-SKDVSFTDSA-N 502.998 7.996 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](CBr)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1883109921 FTEUKZKREWGJFJ-XMMPIXPASA-N 526.471 6.675 50 10 KKGE CC(C)(C)C1CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923072400 OVIUQUVZOFSHKX-NWGYLPEXSA-N 507.557 8.215 50 10 KKGE Clc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924589576 CKHJRIVDYVTFRQ-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924600335 QBSYFSFJKXVURN-JTQLQIEISA-N 572.769 8.088 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924613438 RQEHWXLOINPPNN-QWWZWVQMSA-N 523.832 7.060 50 10 KKGE CC(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2017134979 NZHGNDSQHVRJNB-VIFPVBQESA-N 509.927 7.298 50 10 KKGE CCN[C@H](c1c(Br)sc(Br)c1Br)C1CC(Br)C1 2020153369 GTLRMHZAOCDHQV-BIFUPNIPSA-N 510.915 5.860 50 10 KKGE FC(F)(F)CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2056618225 CYPXXBBNWHLVNV-ZCFIWIBFSA-N 535.843 7.204 50 10 KKGE C[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085495257 JNQUOULQGLHWLC-KNODYTOMSA-N 534.258 7.308 50 10 KKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469456 VLVPHOFMPWZWGV-SPGJFGJESA-N 596.699 7.761 50 10 KKGE CCCCCCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477445 QHFRCGQHRRJVJE-LLVKDONJSA-N 540.359 8.377 50 10 KKGE COC[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206399249 DWUREPTWAXHUBQ-STQMWFEESA-N 600.765 6.368 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1scc(Br)c1Br 2221704874 UZGTVGBRRFXYAA-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 2232077213 QDEDIDCUHSZPQQ-SECBINFHSA-N 554.323 7.182 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)c(Cl)c1Cl 2232519638 LNLFUOMUWQEKQV-LBPRGKRZSA-N 542.707 8.263 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)c(C)c1Cl 2232528105 QZERYVAKTICQFP-AWEZNQCLSA-N 532.416 6.947 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@@H]1C 2234057565 CFDGVYWCNCBTGB-IQUTYRLHSA-N 511.689 6.697 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2235608109 IOFCCOYDGIBNGC-ZDUSSCGKSA-N 529.896 6.117 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(F)cccc1I 2255957264 NLVNWYWDPXBLBN-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1I 2279049136 XYSXDHLQGHCQBJ-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 2293476756 HVLZGIYYUCQMIM-UHFFFAOYSA-N 518.617 5.253 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818677 CTECQHMOPOFQJP-NIUITGPWSA-N 799.190 13.846 50 10 KKGE CCn1cc([C@@H](Br)c2sc(Cl)cc2I)nc1Br 2301086311 MUIMMCVBUXQXMT-MRVPVSSYSA-N 510.420 5.469 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 2313568912 YTOCMXKZKFSJDK-UHFFFAOYSA-N 501.424 6.919 50 10 KKGE N#CC(=Cc1cc(Br)c(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570735 FBXXUCFWJPIGJD-UHFFFAOYSA-N 537.966 5.612 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313636802 PXVPLJRNAUWORP-UHFFFAOYSA-N 580.198 7.355 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314610022 CCVDLQIDJHHJOY-UHFFFAOYSA-N 515.529 5.240 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1C 2314610739 LUVWVOVUPNSDEV-NRFANRHFSA-N 508.622 6.027 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314618170 IMTWDTDKFUUWNW-SANMLTNESA-N 570.693 7.318 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314618346 LSWFYQWREZTOEA-UHFFFAOYSA-N 622.725 7.290 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314619740 DMXJMYGRUXYEFO-UHFFFAOYSA-N 574.656 6.814 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 2314634579 KSZMCMCYYSMSBX-DHUJRADRSA-N 586.688 7.409 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)OCCOc2ccccc2)c1C 2329663452 AVTFSAUEUYANCN-UHFFFAOYSA-N 583.460 5.777 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2336053820 MDSHXWWAHKXQEC-SFHVURJKSA-N 506.181 7.593 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2377293635 ZGKUZQIHCXQFML-BFHYXJOUSA-N 514.083 6.822 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c1 12403481 SZQLWWVHQOBRSA-UHFFFAOYSA-N 511.416 5.019 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 14029053 XYBLREGFFIOBLF-UHFFFAOYSA-N 505.640 5.027 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38658295 WULDXCCOSUMMQH-DEOSSOPVSA-N 503.898 5.250 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)cc2)cc1 38685443 FSLPHTNYGOEWBF-LJAQVGFWSA-N 510.590 6.258 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38701463 VJTPZBIAPZWDDE-MHZLTWQESA-N 518.997 6.355 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1O 40911867 FISIKDZECAEXMY-MZJWZYIUSA-N 505.453 5.796 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 97997150 XFTSRYCWWQCJIV-COWPAWPJSA-N 500.727 7.723 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 100238532 GLFIWUGLYPBEGS-AGNILJPQSA-N 566.698 6.909 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100327324 XIEJHHXFFKWPQW-ANRZFROFSA-N 573.356 5.030 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101231027 OQVDTFNJXUTFHD-RDRPBHBLSA-N 561.041 6.550 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243820 KNSDZINBJQCOPW-QHTYFLMPSA-N 511.647 5.697 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246169 ZWPNQTXTMMHVEA-OGCOBRASSA-N 572.008 6.741 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101334127 XVOIHGNAZZGOQC-UUXIJQDSSA-N 522.649 6.355 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C2=O)cc1 101339987 MDIYAEODHJSVQN-KCSSXMTESA-N 586.692 6.684 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1 101367581 RYWUUNDZHQQHKM-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101367754 OPVYXRYLNHCMCK-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 101368157 JJFPUJKTANCXRI-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381286 FKDABUDENHDPJO-YTTGMZPUSA-N 601.486 7.392 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382610 OQFKRUXOAHCYML-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383167 NAFMHLDZXTYMEO-PMERELPUSA-N 573.432 6.775 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 101395354 QPNDHADBYYVREH-URLMMPGGSA-N 542.588 5.228 50 10 KKGE COc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 102995165 ZOBBPPHHUKWPDS-GRSHGNNSSA-N 608.141 5.916 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1 103879487 IUIUJQCRJCOVLG-KKMKTNMSSA-N 609.645 6.796 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OCCC 105064992 ALCHWYBOBNBYQN-BGABXYSRSA-N 523.600 8.950 50 10 KKGE CCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 105066439 XEGQZABBVYMIHA-MHTZHOPKSA-N 500.731 8.471 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566582 QXZMMZOLOVOPSB-PLRJNAJWSA-N 556.354 5.333 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 127772972 RCGGZZBHJXIZQY-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(c3ccccc3OC(F)(F)[C@@H](F)Cl)C(=O)[C@H]2/N=N/c2ccc(OCCOc3ccccc3)cc2)cc1 159369020 QCTQTJNTOCQOJL-JHSRLFKLSA-N 912.516 12.830 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc9c(c8)C(=O)OC9=O)cc6)C7=O)cc5C4=O)cc3)ccc21 164056193 PSCSDHZPZAUTGW-UHFFFAOYSA-N 768.646 7.161 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205671428 JVASRLKVOSQXNS-UJJSIORKSA-N 618.705 7.938 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214285139 NNQAJVBMRGKCLJ-IMRQLAEWSA-N 538.648 5.511 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214427890 BRCQGJLJWAZWSX-ONUIUJJFSA-N 570.621 5.403 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Cl)s1 229519139 YQWHOXNXDCCACI-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1ccc(C=NNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1COc1ccc(F)cc1 252626916 RIGUZRPJELYAQJ-UHFFFAOYSA-N 511.764 5.903 50 10 KKGE O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 252634825 WRMQGIFWXQXGOL-UHFFFAOYSA-N 528.233 7.252 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254348713 FAMVRARILAYFDA-SCBOPROJSA-N 562.670 5.652 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nnc2-c2ccccc2)cc1 254441372 QIOFTCHWPDENJC-UHFFFAOYSA-N 511.529 5.204 50 10 KKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 254506880 KXDVVZNEQZXYKR-UHFFFAOYSA-N 544.243 6.119 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 254838044 CSEIOLKOTQJEQM-BQIZDKIPSA-N 576.653 5.666 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 380021469 UFGJRJACLDQAOR-CYBMUJFWSA-N 511.954 5.612 50 10 KKGE ClCc1cc(Cl)cnc1Oc1c(I)cc(Cl)cc1I 711800651 KXFJRMAYCVVSKT-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725407704 SYOJTAGPUPAQGH-GVQINVNESA-N 528.678 5.128 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc2ccccc2c1 725446049 YAQXRFQRAVRIKB-LJAQVGFWSA-N 508.618 6.120 50 10 KKGE O=C(O)c1ccc(COc2ccc(C=NNC(=O)c3cc4ccccc4o3)cc2I)cc1 1083946222 XYBRGAUYPCOPAF-UHFFFAOYSA-N 540.313 5.079 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1083956138 YGZJEZKWNBYMSK-GDLZYMKVSA-N 561.078 6.834 50 10 KKGE CCOc1cc(C=NNC(=O)CSCc2ccccc2Br)ccc1OCc1ccc(Cl)cc1 1083968619 VNDHNSIZUULHRP-UHFFFAOYSA-N 547.902 6.464 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1F 1083968620 WHEIBZLLLSIHJO-HHHXNRCGSA-N 569.471 6.258 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c(C)c1 1084075175 UOPIXZSCKBNFFC-CFRMEGHHSA-N 521.617 7.485 50 10 KKGE COc1ccc(/C=C/C(=NNC(=O)C(=O)NN=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084247213 QQUIUQDSOPKNSX-VBFABXJFSA-N 618.690 5.489 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2C)cc1 1084299698 XWXPMRDOWZEFDD-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1 1084312851 FOEYNKLLSMTWNT-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084415504 DCUNTJAFHLWMEA-BIWUZHOCSA-N 541.095 6.153 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084465952 MUCVGHYQTHNCDI-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE C/C(=N/N(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 1615949320 LPYGZDQVURFNQE-UHBFCERESA-N 520.895 6.648 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)C=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1848437735 CBBPZOZLUNXNDK-HSMROWIMSA-N 573.023 10.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865687612 VYRUGRKEIBZCIF-HHHXNRCGSA-N 512.997 5.699 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688229 NLSICSLOLCWBFP-LJAQVGFWSA-N 520.633 5.651 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865690006 YWNAPCNQTUTVDL-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865693900 RQQXLEOVKREJEG-GOSISDBHSA-N 504.896 5.560 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cc(Br)ccc1F 1865702575 XBEIJHBIDPDUQK-OAQYLSRUSA-N 566.228 6.422 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702731 CTMRWMXONDRJKA-OAQYLSRUSA-N 523.902 5.737 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704475 WUSOSDDHGRUIDE-SSEXGKCCSA-N 547.058 7.429 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1OCc1cccc(C)c1 1865705201 OLPMUEQDJZMLMG-SSEXGKCCSA-N 554.650 6.962 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867186649 MFYGJJUVINYVRE-QHCPKHFHSA-N 556.667 5.596 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)CC1 1868320105 BKHIBVFHRNOGEE-UHFFFAOYSA-N 550.732 6.532 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868387807 AIBIMCZSMCDWKQ-MUUNZHRXSA-N 505.691 7.482 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1c1ccccc1 1868433868 SPCOSWZSMNCJAH-RUZDIDTESA-N 513.070 6.607 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 1872753149 JCRMBLCVTBWBAO-GYHWCHFESA-N 508.556 6.926 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 1872818144 OJPHJMPTKVMMKJ-ZTZPXUSLSA-N 506.961 7.827 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1Br 1915302803 ZRRZQCJYODDJGU-SFHVURJKSA-N 568.169 6.130 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)s1 1922892735 SWIRXNHTZXIZAC-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1I 2036578246 NNEOQYIOXLZNOD-SNVBAGLBSA-N 508.354 5.064 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2052451090 OOWFDGUCRUZXCN-NSHDSACASA-N 538.324 7.482 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CI 2065341571 HISNRFHCHAMNRT-BYTJOFDISA-N 554.673 9.257 50 10 KKGE CN([C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@@](=O)C(C)(C)C 2080758692 GNDCRVNANIQGDH-IKWAPMMRSA-N 753.789 10.397 50 10 KKGE Cc1csc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141469003 QBMBBELJDRZPCP-NSHDSACASA-N 617.220 8.197 50 10 KKGE CCC1CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473392 OJMADQRJAONRLU-AYVLWNQUSA-N 538.343 7.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2141474548 BPTFGWNSQMCDAV-MAUMQABQSA-N 580.778 7.609 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206401651 YMBDHMVXIRYLAB-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Cl 2232529942 NRASYTAMZWXDRT-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Clc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)ccc1I 2238083406 XYDZHOAMHCZVNC-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2sncc2Br)c1 2252837067 JZHAWGLACAGIJS-SECBINFHSA-N 504.867 6.109 50 10 KKGE Cc1ccc(Oc2c(I)cc(Cl)cc2I)c(CCl)n1 2271405828 SJFSEFLWKSJVDR-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2296500390 OOSSSSWZIRDUMT-UHFFFAOYSA-N 513.531 6.306 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2296507034 PYYZVHGPAVZYQJ-VWLOTQADSA-N 525.630 5.545 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c1 2296724842 ARHFMSBZXQIHQG-UHFFFAOYSA-N 550.434 5.513 50 10 KKGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2296977091 CMKHNFZCLXQGQT-UHFFFAOYSA-N 519.561 5.253 50 10 KKGE CCCC(CBr)(CBr)Cc1ccc(I)c(Br)c1 2306200626 ZQVSFRYMYGFXPK-UHFFFAOYSA-N 538.887 6.173 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1 2313571298 RTGJGHOONZKJTH-UHFFFAOYSA-N 513.424 8.000 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2314450054 VOXKMNVWKUJBPQ-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 2314532842 NBRKYUIIQNMFEX-UHFFFAOYSA-N 528.952 5.171 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591747 CUCCGBYEHOHOGW-PMERELPUSA-N 553.728 7.226 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592284 PTDDLZJBYPVOAS-AREMUKBSSA-N 584.063 7.856 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314592294 QDCUFECJBIVYMY-VWLOTQADSA-N 518.038 6.030 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592401 SMMVKIOSUIFSCY-VWLOTQADSA-N 586.035 6.995 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 2314616670 GVJOGFLUAXEJOM-UHFFFAOYSA-N 586.648 6.239 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314618724 SKXNBSFLKPHTAG-UHFFFAOYSA-N 552.675 6.127 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C(C)=C(C#N)C2=O)cc1 2314619870 GMRYFUOYIPMULT-UHFFFAOYSA-N 638.699 7.101 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2316725190 FYVYQIBEIIVHCN-YFKPBYRVSA-N 607.185 6.622 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239973 AMDHTPDVLSDZMC-UHFFFAOYSA-N 509.631 6.567 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1OC 2331242517 KEZFAJYOXGHHEE-GFCCVEGCSA-N 521.820 6.503 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCCCc1ccccc1 2331478535 RTLKTPJUKOUGHX-UHFFFAOYSA-N 522.714 8.500 50 10 KKGE C(=N[C@H]1CCCC[C@H]1N=Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2333326764 GCUKRENTSKVSIL-ZRKBJOGQSA-N 658.766 8.052 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336050624 LXLLTCSIFBMRPW-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE Clc1cc(Br)c(COc2c(Br)cc(CBr)cc2Br)s1 2345953035 ZCUDQHVIZQKQOP-UHFFFAOYSA-N 554.323 7.163 50 10 KKGE CCN(C[C@@](C)(CI)OCCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2362726849 FQOINTQLGSQXMI-OAHLLOKOSA-N 517.317 5.822 50 10 KKGE CCc1nc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2365229650 BVKUFJRFUFCYNO-JTQLQIEISA-N 506.460 6.769 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(Cl)c1Cl 2365594876 CXYBOOGWGQNXPD-LBPRGKRZSA-N 506.392 6.744 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c1 1790732 LXTAHDYNFKSBBH-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)c2)C1 29503199 SINQUFVCTNVCEK-JZZXMACJSA-N 565.699 5.183 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 38686453 AZTDYICLKDNICW-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 39867311 DAKJJLUBASWCSI-UHFFFAOYSA-N 507.550 5.384 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811604 YJGGLXWICYCLFK-FEZSWGLMSA-N 513.981 6.756 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825860 WQUZNQAHHUUGCW-ZCTHSVRISA-N 507.377 6.166 50 10 KKGE O=C(c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 59515114 SWBJMVQWGWSWFZ-ADNQPUJWSA-N 595.077 6.014 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100226326 NPLNXGAWVMPURB-KEBDBYFISA-N 621.302 7.738 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 100233646 VZEADSZJHFAEFD-WGNDPNKDSA-N 586.439 5.308 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1 100234631 RSOCIMJUSJOLQG-ABZYITTCSA-N 529.406 5.530 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100336072 WSQALEBQFOJBQF-CAOOACKPSA-N 570.641 7.903 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101293386 KOCNRWGLWVZXSN-YTTGMZPUSA-N 595.051 6.930 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101336202 YMKGPYLILWMDDD-RWPZCVJISA-N 538.692 5.747 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 101338560 CZXJPZZJVFNPID-MWAVMZGNSA-N 548.687 7.033 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101339012 YEZFUYFHBLKTEF-UXHLAJHPSA-N 548.687 6.808 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1 101367273 JIMHBNKLSPTYNY-LJAQVGFWSA-N 583.438 6.474 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCC(C)C 101374239 ZAJFXZDLZXSPAZ-GRKAQFOZSA-N 531.008 6.220 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 101376225 NUNRQGZNYFCCTK-XIFFEERXSA-N 544.651 7.067 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101385110 KGGRDOWFPBPMAR-WJOKGBTCSA-N 532.596 6.328 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2c1 101398458 VAOZMHFRVLXSOK-HKBQPEDESA-N 577.036 7.719 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)CC1 101399234 FYGDDRUIUMDBOW-YMTJQWSASA-N 601.143 8.048 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 101712929 KWMLTDDADZFJIU-VTNSRFBWSA-N 535.427 6.777 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 102006469 NGALQPHKRIYTLE-PPDIBHTLSA-N 532.474 6.433 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 102685594 RXNMLSLPAPDOAI-UYRXBGFRSA-N 542.798 5.241 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)c(C)n1-c1cc(Cl)cc(Cl)c1 102933326 DAVQHRLXZAPXKM-PXNMLYILSA-N 536.200 6.551 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1 103741546 DYDWSGLLWQSWTQ-QPQMVVSWSA-N 536.426 5.962 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 105151280 LYKZSQSIJQUGSG-QXUDOOCXSA-N 562.699 6.051 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2OC)cc1 105448634 GXGYMYWUDIZKIQ-OVVQPSECSA-N 534.451 6.649 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 110553984 AVKOTRSCJOQVHJ-LGUFXXKBSA-N 558.613 7.202 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 110570897 GTYWBRQVESVDEO-XLNRJJMWSA-N 525.637 7.050 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)cc1 150410972 CXMPBBABWXNUIB-FMQFQVRASA-N 710.812 6.352 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 150442396 QICQVRBTEWSIGY-BITFRASFSA-N 720.823 7.254 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 150478033 MALYUPSZNRMVGP-HKBQPEDESA-N 649.958 8.842 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 150485781 GKFWQNBHANUFQD-SQEDJWRDSA-N 683.827 7.116 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c(OC)c1 164603572 LCJKJJKTLGWCKQ-HNSNBQBZSA-N 652.567 5.943 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1 164634156 FGDYGKBCNJQDAA-XAZZYMPDSA-N 751.156 7.901 50 10 KKGE CC1(C)CC(/C=C/C(Cl)(Cl)Cl)=C[C@@H]2C(C#N)=C(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)S[C@@H]21 206267683 GGOQGNUMZDKODN-LLTONZPPSA-N 580.968 8.066 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)Nc1nccs1 214020316 ZPRZLRIJACYIHY-MFOYZWKCSA-N 519.564 5.265 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214311624 PLAIUCCWLUVSKI-UXLQVQPCSA-N 527.584 5.050 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1csc(I)c1 234868347 NOGIBFDTLXQMOS-LBPRGKRZSA-N 505.972 5.747 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc(Br)cc1 254309370 RFZIQTVVCUNNKQ-UHFFFAOYSA-N 539.426 5.638 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 254618578 QFPAWPUYMFULER-DWZFFSDLSA-N 591.620 5.263 50 10 KKGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254823704 LAOBCYHHOPCLTO-UHFFFAOYSA-N 536.584 5.778 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024899 JNQCVHANFYXNMP-LMLXIWCWSA-N 630.590 10.101 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2 575603703 IVZDMJHGZKCMBW-RUWMFEQBSA-N 507.715 7.086 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616584259 AUHUBWQSDUBDNK-JYSSUKAJSA-N 602.882 6.424 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 725446657 CLSPQYYLGHOENS-DEOSSOPVSA-N 501.410 5.935 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1083879193 VDVDFQBOZLRHPI-CXUHLZMHSA-N 567.185 6.862 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2C#N)cc1 1084139693 NLAKOSAJQUPNMV-VWLOTQADSA-N 536.426 5.262 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2nc3ccccc3s2)cc1I 1084159469 LWDMFGJEAJGDDA-UHFFFAOYSA-N 538.370 5.115 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 1084346315 KPLBRPAJSDPNCT-UHFFFAOYSA-N 619.914 5.720 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084376505 FMKXHSJTEMKPMX-UHFFFAOYSA-N 655.640 6.323 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084472868 VFMVSQBKYFZVCM-UHFFFAOYSA-N 550.618 7.566 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773208 OOEFJWPTKXCMDU-NYQKVITESA-N 639.126 11.358 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743472 CENRFFYFSBCVJR-UHFFFAOYSA-N 506.400 5.414 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681123 FRTIUNAIZOPRDJ-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688116 JUUVXUOXKXWPQG-PMERELPUSA-N 542.639 6.604 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688500 UAQKMGBVLQJLRA-HSZRJFAPSA-N 577.866 6.337 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865690966 GFGLVJXIMLFZFG-RUZDIDTESA-N 541.479 6.927 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692265 KRNVEBYHNLGNAB-XMMPIXPASA-N 544.995 5.445 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccccc3)cc2)cc1 1865693023 KSHWCJTVTJWPPL-HSZRJFAPSA-N 502.496 5.997 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865697206 PMTZVUGSXVBIAK-NRFANRHFSA-N 529.822 5.281 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704933 IKVHEOSJIRDYQX-VWLOTQADSA-N 528.971 5.724 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705000 JYCWFZOHLNJENN-MUUNZHRXSA-N 575.024 6.639 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866776043 RRNMWVABGYHLGQ-SXOMAYOGSA-N 531.678 5.778 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009980 AXWKKIOKBJDPBV-NSOVKSMOSA-N 529.662 5.614 50 10 KKGE CCCC[C@@H](NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207562 JMKAMCRUPSCFOE-FYYLOGMGSA-N 546.531 6.474 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)N=c3cc(C)o[nH]3)n2)cc1 1868320585 LECDDOKHIBGHQF-QFIPXVFZSA-N 511.611 5.095 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(CN4CCOCC4)CC3)n2)cc1 1868544433 FFQVBHFARFQCMK-UHFFFAOYSA-N 542.753 6.306 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1 1868565791 NYPPGNWGVJMTND-HKBQPEDESA-N 542.668 7.016 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c(OC)c1OC 1872756758 ZILNQKWYCYQWJO-SILNSSARSA-N 501.402 6.165 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 1872793344 VPWHDUYIHDZSID-YZSQISJMSA-N 507.703 8.341 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCCN1CCOCC1 1872794983 HHRLUOHMGRPJOY-LDADJPATSA-N 516.450 5.901 50 10 KKGE Clc1ccc(I)cc1CN(Cc1ccccc1)C1(CBr)CCC1 1905040222 JNNOFRSLDPLXSF-UHFFFAOYSA-N 504.637 6.264 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)Cc1ccccc1I 1925547863 HZRCGUYBNBPPSK-SSDOTTSWSA-N 540.873 7.101 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)c1Cl 1925589686 VFDCSCPOEBBACR-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 1943034617 VJSHUAJTSHUIOB-JTQLQIEISA-N 523.935 7.144 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c1C 1951013970 CEEDEAAUEUDEQR-VIFPVBQESA-N 523.935 7.198 50 10 KKGE FC(F)CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779342 GFWVJOYXFHYEGZ-ZCFIWIBFSA-N 520.231 7.062 50 10 KKGE CC[C@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034340431 XZCIRBOLRFLTTC-ZETCQYMHSA-N 549.830 5.243 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2037569122 ACJHNDYFTFXEOF-AVRAAPLFSA-N 984.181 5.736 50 10 KKGE COc1ccc(N2C(c3ccc(F)cc3)=CSC2=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2052963856 PEWHWGWCYRGQDB-UHFFFAOYSA-N 552.635 5.696 50 10 KKGE O=C(N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[S@@](=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1P(c1ccccc1)c1ccccc1 2065314094 QXFZWLHHSLALJP-GWGBEJRZSA-N 654.728 7.373 50 10 KKGE Brc1cscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493500 CJHUDJIKNIYTEU-VIFPVBQESA-N 647.644 8.045 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1ccc(I)c(Cl)c1 2086657694 HLMQAJUTLRQHNI-UHFFFAOYSA-N 508.463 6.309 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)cc1Br 2101004138 RLNJMWAYADGQPX-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE CC(C)[C@@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121063647 FLRDLLNWRFHFKD-LLVKDONJSA-N 519.406 5.333 50 10 KKGE COCC12CC([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2141165833 QWSGMHWBJQYMIK-HUUUCTMMSA-N 539.909 5.667 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCC1 2141472051 ZGMPFFLXTNBFFD-ZDUSSCGKSA-N 582.794 8.143 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Cl)ccc1I 2145956407 KMBPYKORNDJNHG-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c1Br 2201079311 RQEDYSXBRLKVEE-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1Br 2206401742 ZDICMNLDXSAJBJ-XHGVETGHSA-N 594.805 7.999 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(I)ccc1Br 2218806519 VMXBIUCOTVEKRO-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1 2225634068 NBIDQUAEQVQUMW-LLVKDONJSA-N 515.840 6.792 50 10 KKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234069564 BNXXRELQVWKHMK-HOCLYGCPSA-N 511.689 6.526 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1Br 2236106916 FGJTZRZXUKHRIF-NSHDSACASA-N 537.793 6.876 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2scc(Br)c2Cl)c1Br 2264606215 YDBDDKKHNYRDQZ-NSHDSACASA-N 552.351 7.790 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2279036782 KTKODDYSXGVHOL-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2C)cc1Br 2285983053 AVRZQDWWAKBTBY-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE C=CCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2293202121 FWLBMHXGJPAFTA-UHFFFAOYSA-N 503.933 6.517 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1 2294217751 GEFQEVUNJRPGNM-UHFFFAOYSA-N 568.580 5.171 50 10 KKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 2295292739 VMURQEMCMGLQRB-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1C 2296506929 MBIATHQYLLVVMT-XMMPIXPASA-N 522.457 6.675 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642643 ZIOPTNAQQBNLAA-HDYALODJSA-N 649.788 5.330 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2cc(Br)cc(Br)c2)s1 2300954612 ADFVIBGYRZLSOI-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12 2313545838 JIVVBMHMVAPZAD-UHFFFAOYSA-N 596.525 6.836 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1Br 2313567254 FJPWYVRPKBZCCZ-UHFFFAOYSA-N 522.193 5.008 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)cc1 2313570896 ISOFJEGNTABVMV-UHFFFAOYSA-N 541.862 7.899 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1Cl 2313571512 YBOQMYBYPLDCHM-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 2314414941 RQKUACHPEYGBNA-UHFFFAOYSA-N 549.627 6.904 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314532801 MEKSWTCOJIWNHE-UHFFFAOYSA-N 504.468 5.614 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592023 JZUGLGALBZKXQZ-RUZDIDTESA-N 518.038 6.030 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593960 WNSSQTBHHKVSJA-IADCTJSHSA-N 523.702 6.731 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 2314616449 ASWXSPVFYHOQTQ-UHFFFAOYSA-N 592.627 5.539 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314618374 MIQWDQFMYGGBNF-UHFFFAOYSA-N 590.655 6.276 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314619104 ZUDQLHFTBPTJCI-OAQYLSRUSA-N 536.632 5.270 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 2314640693 NMXLNEPTFYDSRU-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)cc1Br 2331051135 VYPDBHKDKWFNGY-UHFFFAOYSA-N 502.449 7.801 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OCC)c1OCC 2331259749 XBOPQCSXEKYGQG-UHFFFAOYSA-N 515.429 6.719 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2333303805 ULIBCUHQNJFEFP-ZWADGADFSA-N 580.778 7.609 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338722001 IRIBMFXSRIQKSE-VIFPVBQESA-N 517.841 5.201 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Cl)cc1I 2365595020 FSMVTQJEZKADFA-LBPRGKRZSA-N 528.801 7.481 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@H](Br)C1CCCCC1 2377311341 UOUMFNYOYVRJRR-HNNXBMFYSA-N 515.071 5.829 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2381304579 SSTRZAKQGVXKKO-CQSZACIVSA-N 505.834 7.450 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)oc2c1 38700554 ILPLDFILVOHUEG-HSZRJFAPSA-N 505.357 6.794 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 58891432 YAKODMWQOBDYJP-GXZQEHIMSA-N 511.962 5.190 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 58891947 DGEYXCCYISRIPS-ZSYYNXLFSA-N 525.418 5.860 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)ccc1O 58992063 WITWRVZOCKIGPG-MWAVMZGNSA-N 529.666 5.179 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)c1nnc2n1CCCCC2 97983569 VFKHLXCBVWMENT-PYCFMQQDSA-N 528.534 6.974 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 100235963 AAEOLSXPGIRUGD-JNJFLXMWSA-N 591.502 6.553 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@@H]2Br 100848558 HQJGRSFMPYKPHT-RLCCDNCMSA-N 548.928 6.618 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C1 101014643 YOBOVAWPFVWLGS-SNCWWCFESA-N 562.699 5.911 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101293641 VCXBTXAICITWMP-HKBQPEDESA-N 548.570 6.407 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101334175 FVZSRVYTJQRIPR-BOOTZKDASA-N 508.622 5.965 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101334902 ORAKXKKABBFQRA-OGLMXYFKSA-N 512.613 6.257 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101341463 PMDRCVOUOAXZHL-WSDLNYQXSA-N 557.430 5.517 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 101374592 SMTLRUSFJRREMN-HKBQPEDESA-N 542.632 6.165 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)c1 101376105 UXQGSKVMFHLNDW-GILSBLPBSA-N 536.672 7.246 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379327 FOVJXIMCOJDLMP-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382747 UTBDQDGGTRUKBK-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383288 CWRFYWLZMPLBMF-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386906 FQCXLBKCEPQYJG-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 101393179 UZOCTNXJOZWRPL-GDLZYMKVSA-N 538.600 6.756 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101397064 QCTBKEPBDBDQGD-HSZRJFAPSA-N 537.424 7.044 50 10 KKGE COC(=O)c1c(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)sc2c1CCCC2 101632326 ICCDZXVHHXECPN-HOTGVXAUSA-N 501.240 5.252 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1OC 101702212 VFMNZPBWHCWEDX-KMUCBOENSA-N 546.620 5.802 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(F)cccc1Cl 101727216 XTWGQOCCGMSMTL-AMVVHIIESA-N 556.084 6.823 50 10 KKGE Cc1ccc(-n2c([C@H](C)N(CCc3ccccc3)C(=O)[C@H](Cl)c3ccccc3)nc3ccccc3c2=O)cc1C 101983829 FDKFVQDYORMQQZ-VVFBEHOQSA-N 550.102 7.115 50 10 KKGE C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 102300080 CIXGXIZWZBMSRX-AHDSZGRNSA-N 598.885 5.809 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 102457217 HEABLYYUPRSVKR-FYAMCCBRSA-N 504.011 5.804 50 10 KKGE O=C(COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)cc1 103608840 NYJMVZWKKQMSJX-KVAAJVFYSA-N 616.530 7.642 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CCN1CCCCC1 103737731 LCTAKZNOSLTHCP-QQMJPZKZSA-N 618.394 5.078 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C)cc1 103796610 XJOUEPJUBPEEDG-MZJWZYIUSA-N 540.357 5.697 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103876584 LNJWKALKVNXSCI-SSDVNMTOSA-N 525.140 5.129 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1 103877980 JBRYETWABWBILS-QLQYKETESA-N 589.493 7.430 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 103884437 OSRUDEVYWARJRF-LFVJCYFKSA-N 611.367 7.319 50 10 KKGE CCOc1ccc(N/C(SCc2cccc(F)c2)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422895 IZGKKBGIGPTXBZ-VYIQYICTSA-N 505.571 5.350 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566527 MRGRLWYATKKPGL-OLFWJLLRSA-N 526.534 5.459 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463471 VBTXIQKIAWJFDN-HKBQPEDESA-N 706.376 8.836 50 10 KKGE C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C 195827865 VTUYIQLTBSOSCD-SKTKRZFLSA-N 552.030 10.410 50 10 KKGE in-vitro CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 196824630 YUZLCBDCWPRCMA-FYWLBGRWSA-N 620.771 6.056 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214334569 KFGJQGTZYNDYEU-GDORNDHESA-N 556.666 6.990 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)ccc1I 232345238 QNVZJYFAJKWBDM-CQSZACIVSA-N 528.409 6.126 50 10 KKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(F)cc1Br 236226703 NTYWRRGSXXJELN-CYBMUJFWSA-N 522.352 6.423 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)c(O)c1 254486151 NTKNFKNZZCXWQK-UHFFFAOYSA-N 508.692 5.057 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254491377 JYLPSBVDGVNAIO-DFLXZVFJSA-N 621.650 5.200 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C/c2ccccc2)cc1OC 254635074 WPZGRCTZODFGQB-SYBTZIGQSA-N 534.410 5.013 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccccc2O)n1-c1ccccc1 254766382 RWPYAEVNURELNN-SFHVURJKSA-N 612.497 5.129 50 10 KKGE CCOc1ccc([C@@H](Br)c2sccc2I)c(Br)c1 311119888 XGPVOHLRMUJZGG-GFCCVEGCSA-N 502.009 5.998 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Cl)cc(Cl)c2O)C1 394801932 UPXMNIXNLKHECZ-CJNGLKHVSA-N 506.167 5.486 50 10 KKGE CC(C)(C)[Si](OC[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)(c1ccccc1)c1ccccc1 504523215 FTCJOOMHYRJOAM-GZXHTMMISA-N 590.792 6.407 50 10 KKGE CCCCCCCCCCCCCCCCCCN(CCC[Si](OCC)(OCC)OCC)C(=O)CCC(N)=O 585663893 LWOMGLDHWJZRHQ-UHFFFAOYSA-N 572.948 7.781 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3sccc3I)c2O1 720031022 GUBPDZDQVGHXBK-JVXZTZIISA-N 514.020 5.923 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)CCCCCC(=O)Oc1cc(C)c2c(c1)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 725237783 QLSYJKBJUYGQTE-YEJDJAONSA-N 827.244 14.626 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](O)/C=C/C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725238893 GXDMPIBEBNMMIY-WPPQKOKGSA-N 699.178 10.693 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)c(OC)c1 1083994062 OAWUMIYWUKLBHM-UHFFFAOYSA-N 559.460 6.448 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl 1084105222 FUEXCRQGPHVNGF-UHFFFAOYSA-N 523.814 6.920 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1F 1084268797 VJBKPGLAKQGFGJ-NHFJDJAPSA-N 525.624 5.788 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1 1084377279 XEGAXRLKPQKYDM-UHFFFAOYSA-N 621.123 7.372 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1 1084381640 AERAPLKLCHYLCS-HYARGMPZSA-N 505.977 5.322 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084626672 LKGAKAGSEGSONH-UHFFFAOYSA-N 633.985 6.799 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084644922 VVAQVVYIZVNDPL-UHFFFAOYSA-N 648.410 6.505 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749148 HXCSRVZKZUPUGF-UHFFFAOYSA-N 509.562 5.868 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 1772754729 RQKUVKPOVBTMTG-UHFFFAOYSA-N 559.888 6.517 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 1772755016 GWWXGDDABRJLGQ-UHFFFAOYSA-N 552.519 6.702 50 10 KKGE CC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665405 FYWPUSMWQOIDNY-HRBOPHOOSA-N 535.651 9.113 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683924 QIOFFVTVFYOQKD-RUZDIDTESA-N 512.013 5.545 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865696308 LVKDHDUIXGQBTQ-MHZLTWQESA-N 518.633 6.209 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700679 AXBPXBSZUBAGAT-MHZLTWQESA-N 529.015 6.474 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701139 MWAWGQCIPPEMIF-SANMLTNESA-N 517.416 6.344 50 10 KKGE Cc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867232310 QYTYWZCVWWFPKT-QHCPKHFHSA-N 508.441 5.239 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)C[C@@H]2c2ccccc21 1868207632 QAPPNVMEUAJAGY-HHHXNRCGSA-N 546.700 6.065 50 10 KKGE CC(C)c1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)CC2 1868365131 LQGVPMYNIFMDDF-UMSFTDKQSA-N 553.735 8.736 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(Cl)c3)nc(-c3ccc(F)cc3)n2)cc1 1868455727 ALBXUBDOSCTLRL-WJOKGBTCSA-N 564.089 8.405 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(c4ccccc4)[C@@H](C)C3)n2)c1 1868504994 BUXQEQLZDSLCSC-VXKWHMMOSA-N 522.678 6.573 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745569 TWWSATDGJGDIAW-FOSWXRMZSA-N 515.660 5.899 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc3ccccc23)cs1 1872752148 OXGGBBDLEDGGNP-ATJXCDBQSA-N 510.531 5.741 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)cc3OC)n2)cc1 1872753219 MRCJUIOIRKANPB-YDIGNFJLSA-N 504.652 7.683 50 10 KKGE CCn1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)nc1Br 1924608586 KOQFQAHGGLAYDK-ZCFIWIBFSA-N 586.767 6.499 50 10 KKGE CON=C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C 1933274797 WTKRVTNJHQUGHW-HBMCJLEFSA-N 620.066 7.107 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CCl)c1Cl)Cc1ccccc1 2034748219 CIDHKSVVRBYRPP-UHFFFAOYSA-N 511.902 6.055 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063506817 BONSRSWCHJJSEC-WHQQTDPMSA-N 521.938 7.298 50 10 KKGE FC[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2082593786 HTTQGRUUGVKAMH-SWPVVBRQSA-N 527.873 5.990 50 10 KKGE CC1(F)CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501436 ZOPSWAZMZAYBCD-UNXPPYCYSA-N 572.730 7.311 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1Br)c1ccccc1 2148761047 OKSALPDTZHSSHH-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CCCOc1ccc([C@H](Cl)c2csc(Br)c2Br)cc1Br 2150344910 WGMINFCBXLSJQV-ZDUSSCGKSA-N 503.481 7.153 50 10 KKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(I)ccc1Br 2156327544 YOBMUSZLPDIVOH-SNVBAGLBSA-N 517.043 5.231 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]1OCc1ccccc1 2179831579 YPMNHNKDAVPLGF-MOPGFXCFSA-N 517.283 5.021 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395891 QUXWFWIPIPGSBC-ULHQUTTKSA-N 566.275 7.995 50 10 KKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397733 MGNKTVIZZKSPBI-QPUJVOFHSA-N 596.821 8.389 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c(Br)s1 2210636276 VAFFFIFSUOLCRH-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)ccc2Br)c(Br)c1C 2253473099 KQKYQQGHDOMZEF-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE COC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC(CF)C1 2255107849 DRFVECRRADLDET-GBZMYTLWSA-N 529.889 6.236 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)c(C)c1F 2279146672 MMOWLYPVABCWPN-CQSZACIVSA-N 515.961 6.433 50 10 KKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)ccc1I 2288056713 BGJWVSQTKBGDID-JTQLQIEISA-N 517.043 5.325 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2293594323 OVBWEUCHVRUASG-UHFFFAOYSA-N 544.615 5.282 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] 2296701139 YBINXCAXBCRBGW-HXUWFJFHSA-N 507.550 5.631 50 10 KKGE Clc1cccc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314455378 OKCJYUZPSHZFIS-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)c1 2314531704 DAYWIJUZGDCVHC-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 2314754921 IMDNKMIHMFPUJH-UHFFFAOYSA-N 508.958 5.156 50 10 KKGE ClCc1c(Br)cccc1Oc1cc(Br)cc(I)c1 2316758441 HQIHLSCCXAPJOA-UHFFFAOYSA-N 502.371 6.347 50 10 KKGE Cc1sc(NC(=O)C(C#N)=Cc2cccc(Br)c2)nc1-c1ccc(Br)cc1 2329699462 DWYWBKAXZZGPIW-UHFFFAOYSA-N 503.219 6.189 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 2331273524 JFLQBRSQUWIDFI-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(Br)c(OC)c1OC 2331333808 CSOKKFYKZVPEOK-UHFFFAOYSA-N 517.357 5.277 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1OCCC 2331437995 NUXPJYXEJIKJTN-UHFFFAOYSA-N 524.686 8.339 50 10 KKGE Clc1ccc(C[C@@H](CBr)c2cccc(Br)c2)c(I)c1 2341046538 FRIJLOLQCFSEMU-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Br)cc1Cl 2360495079 YNQQHJOKYGFILY-LLVKDONJSA-N 526.252 7.795 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 2056718 BDTPACHQOZSPKC-QBQUWUSRSA-N 509.400 5.813 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38658223 HUAJGWGCZIEXCH-MHZLTWQESA-N 502.954 5.416 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 38679216 AZRIIHYECVNBPL-MUUNZHRXSA-N 514.578 5.303 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 38686447 UKNZSKNBNFKXJK-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812915 CFPMMCFZSXNZHE-SGWCAAJKSA-N 506.400 5.019 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)cc1 40813856 SUWBDQZJCPOYQR-QCKNELIISA-N 508.578 5.550 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 58889252 UXPHIDLRIMJTTE-OADPBGPJSA-N 519.798 5.785 50 10 KKGE COc1ccc(C(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 96585994 OJMNNDDWHPAOCJ-BOPFTXTBSA-N 500.860 6.132 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242964 ZPTDDYUBAYFCCL-KBTBGYQISA-N 516.066 6.206 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245420 RYMLUSVJTSYDDS-KVILUOORSA-N 536.484 6.929 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101246567 NAPGMIHRDDRZBL-LVVXZCGBSA-N 566.510 7.190 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C2=O)cc1 101339975 YYZVTIJPGVCUDE-OGLMXYFKSA-N 530.584 5.349 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385573 PBYDUMCZFANKSP-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388139 PTYNPPLDXNCBDK-WSZBJRLPSA-N 593.079 7.463 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1OC 101392641 AUSAEUQUMLQUOH-DEOSSOPVSA-N 561.388 5.958 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101395173 YWBUNVCRIJBOMA-RUZDIDTESA-N 528.948 5.927 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399685 NBVNGHOYWDNJQG-DHUJRADRSA-N 614.698 8.082 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399925 GNDJHLMIUHYFEX-ACHIHNKUSA-N 594.595 5.767 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 103879201 WQGMTRBTCCYYAZ-VPUKRXIYSA-N 582.665 7.507 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc2c(c1)OCO2 103884716 DGTRTFOTTIFGSF-OVVQPSECSA-N 551.643 5.377 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 150429011 IPEAHQJMYBAUJF-PCYMAAINSA-N 716.208 6.758 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150431910 GNFMPVNUNUPABZ-MGBGTMOVSA-N 639.079 8.257 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484353 PTCPNZSLFBVYOC-HKBQPEDESA-N 672.348 8.090 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 164014584 IOOOUKMZOPETEJ-IBBHUPRXSA-N 650.511 7.274 50 10 KKGE Cc1cc(C)cc(P(C2=C(c3c(C)sc(C)c3P(c3ccccc3)c3ccccc3)[C@]3(C)CC[C@H]2C3(C)C)c2cc(C)cc(C)c2)c1 196069374 CXALFYRSNRCLFG-YWZTWLIPSA-N 670.883 10.657 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214255891 SGLZOTWJDHWYDQ-NLKUQUHMSA-N 525.565 5.237 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214259695 IUPIVPVTWJSJEV-BXIPXKNPSA-N 560.629 6.648 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214408524 HDPMVBWQOFOYNQ-UCMJSZAQSA-N 594.646 7.050 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc2c(c1)OCCO2 232454018 HRVAKCAFHGQJTG-OAHLLOKOSA-N 509.963 5.309 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(F)c(Br)cc2F)c1I 235928107 VKYANQXNJADXLI-CYBMUJFWSA-N 501.934 6.125 50 10 KKGE Clc1ccccc1C[C@@H](Br)c1cc(I)ccc1Br 236043263 AYBYFEABWOQAFT-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE CC(=O)O[C@]1(C)[C@H](CO[Si](Cc2ccccc2)(Cc2ccccc2)C(C)(C)C)OC=C[C@@]1(C)O[Si](Cc1ccccc1)(Cc1ccccc1)C(C)(C)C 253490206 HVYWYICDHMIFOF-ZZINXLGHSA-N 749.153 10.631 50 10 KKGE Nc1c(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 254567448 VNMPMSOULSYPIP-UHFFFAOYSA-N 555.663 6.950 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc(C(C)(C)C)cc1 254569290 QROICHGPPLVLIG-UHFFFAOYSA-N 528.700 5.243 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br 254838105 ICSHYSXFHIOXEO-UHFFFAOYSA-N 847.772 8.010 50 10 KKGE Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019247 QKWQOHJOYSXIFH-OAUYIBNBSA-N 528.510 6.273 50 10 KKGE CC1(C)CC[C@@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 575629572 RJCWBNBKOKFWNY-RZSHLGJVSA-N 554.722 6.730 50 10 KKGE CCCCC[C@@H](/C=C/[C@@H]1[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@@H]12)O[Si](C)(C)C(C)(C)C 642881597 KRIPXJPSOSAHQY-WXSWFEFESA-N 562.823 8.358 50 10 KKGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](CCCNC(N)=O)C(N)=O 669117324 RFBGUFDKKIFDDF-OIDHKYIRSA-N 766.808 5.509 50 10 KKGE Fc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(F)c(F)c1F 721604503 PYJJARSOCGONHL-SNVBAGLBSA-N 523.887 6.094 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc2c(c1)OCO2 725436067 RBFYMKGGUCKNMS-UHFFFAOYSA-N 532.188 5.283 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(COC(=O)n5ccnc5C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105627 AITBCUXTAJBBFT-HEDDPDGTSA-N 604.788 6.511 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 1083910193 ZRCCIYIAHFRFCB-MUUNZHRXSA-N 551.470 7.088 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(Cl)c1 1083912844 ILGNOYKWSFUHJM-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1 1084014014 IMGBEVWAXUTNJS-WJOKGBTCSA-N 522.674 5.941 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1084053449 IXBOPROCYNOPHL-UHFFFAOYSA-N 504.345 5.199 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C(C)C)cc2)cc1 1084179734 YHWXDFFCPLZSLI-UHFFFAOYSA-N 600.697 5.951 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 1084232326 KWSBSORTFNCQQV-BUVRLJJBSA-N 530.455 7.834 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084271702 WWQXGPBUECZYKT-UHFFFAOYSA-N 556.018 6.283 50 10 KKGE Cc1ccc(C(=O)O)cc1-c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 1084450395 SGONUMPSQLQSCK-UHFFFAOYSA-N 503.558 6.483 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Br)cc1 1084470701 WZCKRYRCSMQTCM-MHZLTWQESA-N 630.377 6.882 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084489789 XOWYCCQKHVMBKU-UHFFFAOYSA-N 674.976 6.483 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1 1084646288 ZGWQYWNAJMUPHN-BUVRLJJBSA-N 501.424 6.919 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1565517633 BIQMYXFCXQVFRO-DEOSSOPVSA-N 683.336 6.629 50 10 KKGE O=C(COc1cccc(Cl)c1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752473 SNEUXPAMMVGCPI-UHFFFAOYSA-N 533.209 5.202 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccccc1Cl 1772754619 LVIOIOOOWCQVDT-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE COc1ccc(C(=O)O[C@@H]2CS[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)c(OC)c1 1857789810 VMDWVSPBIUDPCL-BJKOFHAPSA-N 536.766 5.311 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1 1865684711 WFEAUTGQXIHQEZ-SFHVURJKSA-N 503.322 5.548 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865691372 QGLDRHAOWINFAR-HSZRJFAPSA-N 561.004 6.789 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695949 ASXSIFIDSXUGDB-QFIPXVFZSA-N 541.421 5.411 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696599 IHTNLHIXZWLUHL-QFIPXVFZSA-N 544.409 5.322 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704386 UTDCETUKCOMTMG-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706635 BJGOGBLBKZTRHD-NDEPHWFRSA-N 524.068 6.392 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712290 UZJGDUTZTJMIQU-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712812 ITEOZNQMRCIHGR-JOCHJYFZSA-N 544.365 5.437 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714019 BARAULZVFCGKHQ-LJQANCHMSA-N 514.221 5.568 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4ncncn4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868413555 AHUUVBFDBWTLLC-UHFFFAOYSA-N 501.019 5.683 50 10 KKGE CC(C)(C)c1ccc2c(c1)C(=O)CCN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868455754 BFNWANHNXFRQIJ-UHFFFAOYSA-N 523.637 7.621 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872790586 RUVQVYGKTGXXKA-VIZOYTHASA-N 524.267 7.741 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OCC)c3)n2)c1 1872792552 FLOPDNPRGPSRCY-CXUHLZMHSA-N 515.429 6.538 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1905039611 FRGWXBXORHWDMS-IBGZPJMESA-N 506.653 6.366 50 10 KKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCCBr)Cc1ccccc1 1914647959 MSSIDRNAECQENN-UHFFFAOYSA-N 516.082 5.732 50 10 KKGE O=C(c1c(Br)cccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915261659 CXIKAHRBFPFVHU-QGZVFWFLSA-N 516.071 6.028 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1sc(Br)cc1Br 1922946854 WCYWSTNLMKDKSB-JTQLQIEISA-N 524.297 7.126 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923037923 GWNZYYRXLSJWNO-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1Br 1924569181 RDAOJYHCETVRFP-IWIVTLFVSA-N 519.922 6.764 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3sccc3s2)c1Br 1924593306 DMJKKHKTTIWPQW-MRVPVSSYSA-N 551.970 7.796 50 10 KKGE CC(=O)[C@H]1CC[C@](C)(C(=O)OC(=O)[C@@]2(C)CC[C@@H](C(C)=O)[C@]3(C)[C@@H]4CCCC[C@H]4CC[C@@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@@]12C 1933246593 GTOLHEXSZJNTGA-JZLLMJESSA-N 594.877 8.512 50 10 KKGE Cc1nn(C)c([C@H](Br)c2cc(Br)ccc2Br)c1Br 2072298253 JTNHBZJARJBVCW-LLVKDONJSA-N 501.842 5.500 50 10 KKGE COCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085496625 XGKGOEZGGATNNR-NSHDSACASA-N 526.288 6.443 50 10 KKGE C[C@@H]1[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085497224 ZOEJXGVZVRQNPM-AKTQSMRNSA-N 532.242 6.918 50 10 KKGE FC1CCC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141474202 YGLQXFHKKXJWPI-UAAUVXIDSA-N 586.757 7.701 50 10 KKGE CN(C(=O)c1cc(Br)ccc1I)C1(CBr)CCCCC1 2170167726 ZWKRBSMEMMPVKL-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2233037806 DCRUHZZBGBORDT-BQBZGAKWSA-N 505.863 6.258 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)cc3c2OCC3)c(C)c1Br 2234464114 KWGICKWSPCKNLF-ZDUSSCGKSA-N 528.047 6.151 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2257224904 UGMAMHVPSXTYRP-SVRRBLITSA-N 523.910 6.431 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCCC[C@H]1CC2 2288995689 FOHVEWGXHYSULF-PVJOKMEKSA-N 550.354 7.987 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2295838592 DQTJNUSTEARGPD-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)NN=Cc1ccc(F)cc1 2297640049 KCJSBLITNZYZPP-SANMLTNESA-N 615.493 6.333 50 10 KKGE ClC[C@H](OCc1cc(Br)cc(Br)c1)[C@@H](I)CCl 2300179469 TWUVWKGVWIDXRL-QWRGUYRKSA-N 516.826 5.378 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1I 2303547460 UUUJLPAZVOSMFR-OAHLLOKOSA-N 567.059 5.154 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566956 FHKZLPUERWXRIF-UHFFFAOYSA-N 631.368 7.200 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570864 IBQVINIGVCVRRX-UHFFFAOYSA-N 646.081 7.624 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591639 AGIHOSKJWQVLFO-QHCPKHFHSA-N 522.457 6.675 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592404 SNZOISCNJVYFMU-RUZDIDTESA-N 570.036 7.295 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314609943 AHQHNEWKLZPLNG-UHFFFAOYSA-N 530.584 5.349 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 2314640611 CEJBCNNKVBDGJY-PGUFJCEWSA-N 570.689 7.709 50 10 KKGE BrCc1ccc(Oc2cc(Br)cc(I)c2)c(Br)c1 2316760318 SPUCEYXALKLJGE-UHFFFAOYSA-N 546.822 6.503 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)cc1Cl 2331377102 IDAOHIGBBITXNU-UHFFFAOYSA-N 519.022 7.095 50 10 KKGE Fc1ccc2cc([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)sc2c1 2361204538 HTMFFCHEAFWYKA-QFIPXVFZSA-N 506.234 7.866 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362246878 DRUWKACNLHTRLV-SNVBAGLBSA-N 554.277 6.293 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)c(Br)cc2F)ccc(Cl)c1Cl 2364531991 CHVAWEMOVFYMII-ZDUSSCGKSA-N 505.834 7.450 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2365594613 AHHATJUNCGJTLP-LLVKDONJSA-N 545.256 7.996 50 10 KKGE CC(C)(C)Oc1ccc([C@@H](Br)c2sccc2I)cc1Br 2381322707 NLMUKNKHUNOPJC-CYBMUJFWSA-N 530.063 6.777 50 10 KKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 27550534 ILFWRIFCIOUSCJ-AFMDSPMNSA-N 519.592 7.082 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 35419471 GWCJPYWLOGXDOJ-JSIHEXFSSA-N 512.393 6.197 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651812 MXDMYTJTHAUJIT-VWLOTQADSA-N 519.395 6.065 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655282 VJOSWFGRHVFRMT-NRFANRHFSA-N 506.172 6.738 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38688732 VQKFCZNDUKGKQO-HSZRJFAPSA-N 518.978 6.009 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38688751 LHZQYLTVEQKUGP-MHZLTWQESA-N 510.546 5.813 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811873 PVFBYWVQVNODFG-KBVAKVRCSA-N 507.871 6.122 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cccc6ccccc56)c(C)c43)coc2c1 40827001 SXCPSLFDISLTKH-IWBSIUBASA-N 520.585 6.723 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 58893175 XLARVWKRDWTVQN-PFQJNYNCSA-N 511.416 5.391 50 10 KKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cc(Cl)cc(Cl)c1O 59516487 COIVEJLMYIXRHI-LUOAPIJWSA-N 507.296 5.749 50 10 KKGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc(C)cc2[N+](=O)[O-])c1 98063475 TUIPWEMLOLSONB-PDGQHHTCSA-N 521.551 5.275 50 10 KKGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100081819 FQSFVWJSJJUWAB-UHFFFAOYSA-N 567.509 5.257 50 10 KKGE O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1CCCCCl 100222367 YQZJKBCNGFRBEF-UHFFFAOYSA-N 538.947 6.273 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 100236095 PFSZJUOCIFYPLJ-KJTWNORHSA-N 569.496 6.098 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 100452610 VUYNJZPOXGAVEV-OADPBGPJSA-N 611.249 5.736 50 10 KKGE Cc1ccc2cccc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)c2n1 100922072 NLXAFUSPKNOGKZ-RYGJVYDSSA-N 545.113 6.168 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(I)cc2)cs1 101034036 PLPYCPHQHVYINV-ZHZULCJRSA-N 590.877 7.985 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245236 CMYKVORSOLYPMG-IDJUBOEBSA-N 551.590 6.478 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 101246371 LETXQGQMLBVEMF-RAMZYJDASA-N 570.036 7.349 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246560 VQUZIAZFSVLUKG-FGWAUOBPSA-N 566.510 7.190 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101307048 JBTYHPVSKKVSPN-RDPPTWFYSA-N 536.628 6.394 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101333561 PWOYISXPGMCPMN-MWAVMZGNSA-N 564.730 7.445 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101362537 MJYQVGGATREQRB-LJAQVGFWSA-N 587.459 7.408 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368446 INIWXRMLUHMIHM-UKPGIYTDSA-N 556.659 6.274 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 101369150 ZAKZLFBPRLEMDX-XMMPIXPASA-N 541.785 5.314 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OCC 101373919 BQJZVUGJOFLANN-RDPPTWFYSA-N 540.616 6.110 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101374594 YMRLEZKZIIJDNJ-SSEXGKCCSA-N 573.602 5.765 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384958 IJXWMTBUIWMYIP-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1 101386143 CEBLGNRGNWXTMG-HHHXNRCGSA-N 545.016 6.426 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387795 NKMFPAMHQTUPOE-XIFFEERXSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388105 HLWJNBKFUHINTF-XIFFEERXSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389335 UPGMURXDPRKNIB-YTTGMZPUSA-N 566.585 6.006 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101394778 TWDXFNNVAUSYLB-IHLOFXLRSA-N 556.615 5.618 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101397199 NHLQQBUYTSXZCX-WJOKGBTCSA-N 623.577 8.959 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)CC1 101397604 PYHAEAZEGNYBLO-HXPLHXQISA-N 571.117 8.039 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398483 ICBFHMXPZSBHEN-LOYHVIPDSA-N 566.997 5.883 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603665 BLVQPAZGXHWXJJ-UXHLAJHPSA-N 598.270 5.512 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611941 TXQSCYAHNIJORP-PRTAWZAISA-N 526.420 5.722 50 10 KKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 102418368 TXNYRJWWDZKXPF-SDXDJHTJSA-N 500.451 7.831 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1 103797415 ZSRDHMMBLMGZIE-XICOUIIWSA-N 625.510 7.709 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806241 UXWVXUFALGQVQT-SBELPDGOSA-N 613.652 5.570 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)sc2Br)c1 131991125 VBNRILJFWRYCMH-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430148 YOHLECCMZJCLJS-PGUFJCEWSA-N 639.148 7.818 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463046 IBFIOVSQCFKMKZ-LJAQVGFWSA-N 698.411 9.540 50 10 KKGE BrCC1(COc2c(I)cc(I)cc2I)CCCCCC1 155924519 DJTWLWPFYDUUHQ-UHFFFAOYSA-N 674.924 6.615 50 10 KKGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 198743708 TVZFJMKDXSCSFD-BIZUNTBRSA-N 570.074 6.066 50 10 KKGE Cc1cc(C)cc(P(C2=C(c3c(C)sc(C)c3P(c3ccccc3)c3ccccc3)[C@@]3(C)CC[C@H]2C3(C)C)c2cc(C)cc(C)c2)c1 202548448 CXALFYRSNRCLFG-CREXIDCTSA-N 670.883 10.657 50 10 KKGE C[C@H](Br)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 207047988 ZXJGIOPHAIVNCM-AWEZNQCLSA-N 510.067 8.137 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1Br 233790698 GXQNRYCRVLZXSF-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1 254440603 CCPNIHDSPXSAJG-YGFBDISVSA-N 578.492 5.582 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2OC)cc1 254442062 UKAFDMHAQXBJBX-UHFFFAOYSA-N 504.583 5.239 50 10 KKGE COc1cc(C=NNC(=O)Cc2n[nH]/c(=N\C(=O)c3ccccc3)s2)ccc1OCCOc1ccc(C2CCCCC2)cc1 254505391 ANLGKWHKUVJOHX-UHFFFAOYSA-N 613.740 5.419 50 10 KKGE CC(C)(C)c1cc(CCC(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(C(C)(C)C)c1O 254521148 RPWXQKLHVFHWIT-UHFFFAOYSA-N 515.481 7.637 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2c[nH]c3ccccc23)n1-c1ccccc1 254826027 SHNYAPOUQCDBJJ-LJQANCHMSA-N 544.084 5.953 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)c2=O)=C(C#N)[C@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 254843413 RYCHZRJRQYBFLB-SYOZGZCMSA-N 783.018 7.168 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n2-c2ccccc2)cc(OC)c1OC 254872270 ORDAQDSCKPRJFH-UHFFFAOYSA-N 545.665 5.326 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2)C1 382739416 YTUYVQPWUZNDKY-SJLPKXTDSA-N 500.174 5.236 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232662 QPYJMHIDEUSFNK-NOGTZKIZSA-N 807.813 7.094 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616587573 RIXWVOLVZQUWKY-ZODDRRRPSA-N 692.823 5.763 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)F)CC[C@]23C)C1(C)C 685945336 DDQPGFWNIMWKSN-OTMOLZNZSA-N 500.739 8.072 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(F)c1Cl 689651482 NBBBONWTPCYACP-LLVKDONJSA-N 522.352 6.470 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2scc(Br)c2Br)c1 707808434 SROLAKYFYJKDJO-VIFPVBQESA-N 568.748 7.282 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1ccccc1 725240299 XRADZRBVVKUYBE-XUZZJYLKSA-N 521.004 6.834 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1 725433135 ZNVIQUVMOFUQIY-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1083858881 HRNMYHIWATVDEP-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 1083907728 XTSQMWXFVDLVES-DEDYPNTBSA-N 516.960 5.244 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1084066206 NHMYXNHSWSXATF-UHFFFAOYSA-N 623.731 6.090 50 10 KKGE O=C(NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084203444 WRXMNKLTVCOHTG-UHFFFAOYSA-N 510.299 5.680 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1cccnc1 1084560627 SEYYVQJTQQVGQB-UHFFFAOYSA-N 563.481 5.110 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1 1084572902 GSKROZFJNTURJP-UHFFFAOYSA-N 659.784 5.369 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccccc1C#N 1565518790 DKWBIYWUFUMZPV-JAIQZWGSSA-N 541.389 5.106 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772747812 KRRANQRPNRZVPT-UHFFFAOYSA-N 512.437 6.960 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747951 TVWMJLKIUPRKOM-UHFFFAOYSA-N 548.242 6.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)ccc1O 1865681815 XPCNMMBWECKUOH-SANMLTNESA-N 508.578 5.238 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(Br)c1O 1865687981 FVUXCKLOMLMMKR-QHCPKHFHSA-N 561.411 5.822 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865694095 UIJNNFCVSVTXBV-HKBQPEDESA-N 556.666 7.488 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865696427 MGMNAWKNHRWPNB-QFIPXVFZSA-N 515.367 5.234 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698618 YSTIOEAWAQMWKX-MUUNZHRXSA-N 528.568 5.690 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865704849 FZKYWPSCLNYOPT-SANMLTNESA-N 512.997 5.948 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706119 NYNYOCXXXDVTKL-MRXNPFEDSA-N 510.259 5.383 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711789 IDIXCBWJXSLWNK-XIFFEERXSA-N 572.640 6.755 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 1865711908 LDYGZQGOASLQHH-MGBGTMOVSA-N 570.649 6.566 50 10 KKGE CCCC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866586329 RQJGBLYNOCKOML-HSZRJFAPSA-N 508.669 5.460 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccc(Cl)c(Cl)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998725 ZAYPPENGHZFPSK-SVBPBHIXSA-N 584.525 6.598 50 10 KKGE CSCC[C@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867028172 WGCXKAZILGQHCG-MHZLTWQESA-N 547.746 6.480 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867063414 KLWQTUBGRCXHCD-SSEXGKCCSA-N 562.720 7.079 50 10 KKGE Cc1ccc(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867230496 KVAIBQVOCCYPDL-DEOSSOPVSA-N 554.535 5.930 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1C 1868414078 HXTLWDRLVVEVSL-VWLOTQADSA-N 556.091 7.283 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c(OC)c1 1872755396 LINPJOOUEKJGCG-FLFQWRMESA-N 513.531 5.166 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC)c(OCc2ccccc2Cl)c1 1873793508 NROPOERNVMZVDJ-XCCYOMQZSA-N 504.027 5.317 50 10 KKGE Brc1sncc1[C@H](Br)c1c(Br)sc(Br)c1Br 1900453443 XIKRKEZTMYXARZ-BYPYZUCNSA-N 575.765 6.739 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2sc(Br)cc2Br)c1 1922935353 OTRIEOAAXCQIOV-NSHDSACASA-N 503.879 6.828 50 10 KKGE Cc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579435 FGUAQOBVASAUHX-VIFPVBQESA-N 503.879 6.828 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3c(c2)CCO3)c1Br 1924596345 NFENDGLHJALLLM-SNVBAGLBSA-N 531.889 6.455 50 10 KKGE CS(=O)(=O)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924600188 BQMHWTNARLBSJQ-VIFPVBQESA-N 567.944 5.923 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C12CC3CC(CC(C3)C1)C2 1924600310 PTTSIKPXWPGACG-KRCHHAKFSA-N 503.525 7.532 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cscc1OCc1ccccc1 1939525267 BDLJYDYBXAODHO-ZDUSSCGKSA-N 513.103 7.895 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1csc(Br)c1Br 1945183225 AKJLKHJCAGIVHX-SECBINFHSA-N 523.935 7.144 50 10 KKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2049575757 ZSFPVINVONSQJF-VXNVDRBHSA-N 523.954 7.688 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1I 2053613203 YNBLTIPWWKLWDN-UHFFFAOYSA-N 514.750 6.069 50 10 KKGE Cc1ccoc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496021 OKLGHIHBBICZAM-NSHDSACASA-N 522.256 6.966 50 10 KKGE BrCC(CBr)(Cc1c(Br)cccc1Br)C1CCCCC1 2150502948 GMILOLOMJISZMP-UHFFFAOYSA-N 531.952 7.111 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1 2206402911 DZWVCAITVPHPIG-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Cl[C@H](C[C@H]1C[C@H]2CC[C@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2206404565 AYFHHSITIMXANA-APOZVJGGSA-N 550.354 7.843 50 10 KKGE Cc1cc(Cl)ccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405254 IFNUKOWGKPRUBY-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(I)c1 2207270702 CYMNKGTWRPUPQQ-CQSZACIVSA-N 572.860 6.235 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)cc1Br 2255969953 OYLRHMWUDWMEKO-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Br 2268287008 GFGBMJSMHJXWQV-NSHDSACASA-N 522.352 6.470 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 2270429833 QIKKPVJXHZLTFH-VIFPVBQESA-N 600.765 7.730 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 2295672343 OBEZUPWULCPZBK-HXUWFJFHSA-N 510.569 5.539 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296053644 UIYQJJPTFGQQDV-DEOSSOPVSA-N 556.902 7.329 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)c(C(=O)OCC)c1C 2296790099 OUARRLIDKOZHQY-UHFFFAOYSA-N 509.609 5.685 50 10 KKGE CC(C=NNC(=O)CSc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)=Cc1ccc(C(C)C)cc1 2297100810 PNTLLWRUWWMFSB-UHFFFAOYSA-N 573.166 7.262 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2297321646 MPDAHYUWHXEKTF-UHFFFAOYSA-N 684.547 6.344 50 10 KKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c(C)n1CCC(C)C 2297486952 MSQDYZIQKPTYPM-HHHXNRCGSA-N 547.055 6.226 50 10 KKGE O=C(CSC=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 2297515823 AHVXPWZMNDZOOR-UHFFFAOYSA-O 637.559 7.588 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1 2297559844 OBMUJCDOYAAVMN-UHFFFAOYSA-N 523.299 5.912 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2299503579 GXSAOWZXILDSQD-QGZVFWFLSA-N 507.074 7.881 50 10 KKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 2313543507 FGUMHKMRSBMBCK-UHFFFAOYSA-N 562.739 7.703 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630262 CHBLHGQMUXRNTG-UHFFFAOYSA-N 518.436 6.386 50 10 KKGE Clc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314500170 KRIGWRWQFSMYCQ-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314610490 IUPIVPVTWJSJEV-QFIPXVFZSA-N 560.629 6.648 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314610773 MDVCQGIXTCZHMP-UHFFFAOYSA-N 571.121 7.544 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620335 NGTSLHHJNLSLID-UHFFFAOYSA-N 596.684 5.199 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634334 FDKUAOWTORUMLY-VWLOTQADSA-N 537.797 5.948 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643160 FLYMZPBJTVPKII-MGBGTMOVSA-N 631.487 7.947 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(Br)c1 2331281536 MGJQIXVWDSRRHZ-UHFFFAOYSA-N 514.401 6.695 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 2331282473 ZFCUMXJUDCEFEE-XMMPIXPASA-N 507.571 5.519 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c(OC)c1 2331385432 CRSNLWICAHZEOP-AWEZNQCLSA-N 511.987 5.335 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)Cc1ccccc1I 2360502747 VIFNOZNQZREQAV-QMMMGPOBSA-N 552.834 7.178 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 2362227099 ZWWVUTFHHKSNEJ-LBPRGKRZSA-N 570.703 7.857 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365600178 ZDYRDKWRUBOYIT-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE CC(C)Oc1c(Br)cc(Br)cc1/C=C(/C#N)c1nn(-c2ccccc2)c(N)c1C#N 6190592 ZJAAUNFAZYFXSX-NVNXTCNLSA-N 527.220 5.703 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c1OCc1ccc(Br)cc1 12555987 ZOPLQNLTDQUHGU-XDHOZWIPSA-N 507.340 5.281 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1c(Cl)cccc1Cl 33089346 LQUJTYSZWOQUGN-PPDIBHTLSA-N 503.842 6.287 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686552 YFCMIGHCVFVAOH-NDEPHWFRSA-N 519.513 5.611 50 10 KKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 40816272 JQOCJFMJLDUGME-TWKHWXDSSA-N 514.409 5.369 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)CSc3nnc(-c4ccccc4)s3)cc2)cc1 40947802 DTDXAEMSFABFKM-STBIYBPSSA-N 516.692 6.324 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c(C)c1Cl 40950773 YWPHVGWOGWVCOX-UVHMKAGCSA-N 501.808 5.827 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 59167137 FPZAJIKGDJRVAH-NDZAJKAJSA-N 503.599 5.363 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1ccccc1[C@H](C)CC 100094297 JOGYJPNKQKUSPD-JWQCQUIFSA-N 596.769 5.197 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 100162769 OYVKGHMWFMKZQU-UHFFFAOYSA-N 535.666 5.053 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243368 KLBDIGNUQALGRI-GAXAGAJRSA-N 564.538 7.420 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243719 BUZOWZGJDPORHG-KRZCOAGDSA-N 586.035 6.671 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245185 FLOZJBDXNMWQMC-KVILUOORSA-N 501.583 5.598 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101336187 MCVPYKIATFVQSU-MTDXEUNCSA-N 552.675 6.042 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379105 QNOHMTNYXCYYCY-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384701 HOKKCXAGEAMYBN-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388134 PTYNPPLDXNCBDK-PWFRWNHDSA-N 593.079 7.463 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101389032 KGLXEYTWVNHAIJ-WEZXKFLESA-N 598.602 6.534 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101393865 JHOIOZCQMLVDIP-VWLOTQADSA-N 529.390 6.504 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101397910 YOCJDKTWCAUZSN-PMERELPUSA-N 619.476 7.938 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)sc2c1 101398750 MKLSRJLSKVOETE-LJAQVGFWSA-N 597.067 8.019 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618850 SFOMDZGIDJXNRT-FXQYHAJKSA-N 542.599 7.274 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 101766325 JALRASBSAJFSTO-BRJLIKDPSA-N 542.268 5.446 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 102667235 RJRPPIXSTZNHKZ-CCUBOOHYSA-N 522.457 6.675 50 10 KKGE CCOc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 102913918 JPYXLBMEXJCDOS-ZJHIIFNZSA-N 624.162 7.632 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)NNC(=O)c3ccc(COc4ccc(Cl)c(C)c4)cc3)cc2)cc1 102995084 QTZGXQSTLHIDJN-WSVATBPTSA-N 606.100 5.511 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103796137 HADKWAGVOLPWKW-FDAWAROLSA-N 591.303 6.754 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc([N+](=O)[O-])cc6)cc5C4=O)cc3)ccc21 105646483 WGORETVGNORWKH-UHFFFAOYSA-N 522.425 5.291 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(I)c2)cc1Br 128812979 ZCXDXNODBWXAIM-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433147 QRRWOYKWEONDNY-MGBGTMOVSA-N 647.511 7.182 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463306 RQVQVFWXPWRUDH-JGCGQSQUSA-N 655.534 8.690 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 150478795 IZRWFIMLHJWBBB-PNQUVVCRSA-N 637.408 7.709 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150479199 KKFVNFMHRDNVLB-GDLZYMKVSA-N 656.349 8.715 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)OC(=O)CCCCCCCCCCCCCCCCC 195767208 IAJABPQCIRWNLU-UHFFFAOYSA-N 625.108 13.298 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 206688221 YPSGAVDUGRBZRG-FVHDLHLASA-N 578.621 6.108 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214235419 DPMKUNSVUNSYQI-VEILYXNESA-N 522.649 6.417 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214261861 UWGIXYVVOMKMAC-YDJREQFISA-N 592.699 7.662 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214277348 SPIFQOQXAQHMTJ-PKAZHMFMSA-N 514.585 5.649 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214309409 KREULUOXWOXZOB-IWIPYMOSSA-N 506.574 5.211 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214324104 XPJAHXRDTJOZCH-DETJWLHLSA-N 584.676 6.198 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214377163 YBSJBPFZNLJROE-FSGOGVSDSA-N 542.639 6.429 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 236020632 JUWPGBCNKVQGJX-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE CO[C@@]1(NC(=O)c2ccccc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CO[C@@H]21 504049247 NTPKKHLWOOMZQZ-RISBXJSMSA-N 881.100 5.900 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616587545 FQWUSGHMQPXVGW-FJPNVKARSA-N 890.093 8.077 50 10 KKGE C=C(CC(C)=O)OO[C@H]1[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OOC(=C)CC(C)=O)[C@@H]1OOC(=C)CC(C)=O 1082654997 SEVWSSHJTWAUDW-UFPLGCMVSA-N 897.927 8.153 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817601 SAHJWPXTHJECLJ-WUXKFAKNSA-N 755.034 6.751 50 10 KKGE COc1cccc(C=NNC(=O)c2cccc(I)c2)c1OCc1ccc(Cl)cc1Cl 1083908968 VWHCMISDPQSWDA-UHFFFAOYSA-N 555.199 5.950 50 10 KKGE COc1ccc(COC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1083963546 IUCZKVQWKSPCBE-UHFFFAOYSA-N 541.345 5.011 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 1083968516 DYUDAUAKPPDCEN-QFIPXVFZSA-N 536.253 6.299 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084062411 VRCGZNZDUCTEAM-UHFFFAOYSA-N 608.116 5.590 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084080858 YMDQRFHOOVZCLO-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084120587 GXJZWUXLEKKLFS-SXGWCWSVSA-N 570.192 7.899 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084222468 FYDHCERGZJXUJA-MHZLTWQESA-N 585.926 6.773 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 1084420458 OMCNJBIGGZJQCR-UHFFFAOYSA-N 510.830 5.383 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 1084536096 UJKHBXHLJSKXES-QZTJIDSGSA-N 575.628 5.392 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 1084622686 HZOAUHTXTWLMNZ-DEOSSOPVSA-N 590.312 6.153 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749284 ZEYYJVHVVBOZEE-SFHVURJKSA-N 509.581 6.332 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1772754992 FISTZRNNCTWQSA-UHFFFAOYSA-N 641.827 8.354 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 1865682057 DUSQIRXMOWUJNH-SANMLTNESA-N 523.423 7.277 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865692032 HRRUIAZPYDLCLE-JOCHJYFZSA-N 541.421 5.411 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692592 NPKGHICAOUQYPF-XMMPIXPASA-N 514.969 5.437 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692630 HBWOJMBTCZSTEU-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696855 RWPSKSXMPXVLAZ-QFIPXVFZSA-N 579.838 5.896 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701825 GKTVVFXMEOPRCT-QHCPKHFHSA-N 539.369 6.410 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865701973 JNWCHSWFBHWCAJ-NDEPHWFRSA-N 519.649 5.980 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865707225 RHXJCHUBEKSMAG-SSEXGKCCSA-N 558.085 7.437 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865709619 YJRSHWMLKRMVFS-OAQYLSRUSA-N 503.345 5.762 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2snc3ccccc23)cc1 1867268414 GMKXBKLEXXSXJF-QFIPXVFZSA-N 504.662 5.540 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(OC)cc3[C@H]2c2ccccc2)n1 1868253683 PYYJIXKPBZYBKR-SSEXGKCCSA-N 523.662 6.143 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccncc4)C3)n2)cc1 1868528014 MUAOBGKKKFNTSQ-VWLOTQADSA-N 510.623 5.832 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872745166 XWBSSJBTSIOZDD-FOSWXRMZSA-N 517.676 6.363 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1 1872753472 YTJYECAWHLSZKA-OBZJLHOISA-N 500.805 6.967 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 1872755868 KFCAYIXMZKYVBT-RFBIWTDZSA-N 519.626 7.167 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872757082 PVHUJHIFACTPDD-DQVIVYRFSA-N 507.999 5.894 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCC(=O)N(CC)CC 1872793817 USJOZHRMESRMMV-DEDYPNTBSA-N 521.639 5.537 50 10 KKGE COc1cc(C)c([C@@H](Br)c2csc(Br)c2Br)cc1Br 1901744965 ABMBNPHSZHIXBJ-LLVKDONJSA-N 533.905 6.837 50 10 KKGE CC(C)Cc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923068152 NRGDSNUIBHOIRO-GFCCVEGCSA-N 501.509 7.609 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924590973 MPWPHFMADUECFS-SECBINFHSA-N 538.324 7.482 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)s1 2029236081 FMFYCDATFPRBPB-NSHDSACASA-N 504.000 6.301 50 10 KKGE N#CC(=C1N[C@@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc(Br)cc2)S1)c1ccccn1 2059835690 JRCQAESKBUWOKH-FYYLOGMGSA-N 530.369 6.082 50 10 KKGE CC1(CC[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085500890 SIXUBKHDAUSIJN-ZETCQYMHSA-N 568.767 7.753 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCCO[C@H]21 2141468595 LOAOIQRVFYRWBR-FZJKMFLZSA-N 538.299 6.442 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)cc2I)c1Br 2142278886 JEJPHAWXVWQJGN-CQSZACIVSA-N 623.746 7.371 50 10 KKGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CBr)CC(C)(C)C1 2164567636 NAZINQCLWCSPPE-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE CCC(F)(F)C(C)(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206393903 CIFAXKLNQXCZSH-LLVKDONJSA-N 562.312 8.088 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206396441 WUMGBSACZGJTTQ-LLVKDONJSA-N 676.060 8.637 50 10 KKGE CC(F)(F)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206398403 UVHDUCGKTLODGP-NSHDSACASA-N 560.296 7.842 50 10 KKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(Br)cc1I 2207269764 WHAPXNGXCDBTMA-WDEREUQCSA-N 515.027 5.127 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2207274971 HHKRPPMEDLJMOW-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE Cc1sc([C@H](Br)c2sc(Br)cc2Br)c(C)c1Br 2213743300 PJEUYRLGWNVWCS-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2218598839 XCRXZNPRGILPRV-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603529 JOQQWUVXTADUOY-INIZCTEOSA-N 525.904 7.384 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(F)c1I 2279037071 URXCEZYRDVHHDI-LBPRGKRZSA-N 534.388 6.339 50 10 KKGE Fc1ccc(I)c(-n2c(CCl)nc3cc(I)ccc32)c1 2287306706 TXFORQPJZJRFQC-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293198253 NIHMRBKPSUPJDZ-XMMPIXPASA-N 506.002 5.264 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818715 OGJHIJRQMFHSCP-WAQIKZPBSA-N 785.163 13.456 50 10 KKGE O=C(Nc1ccc(Cl)cn1)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2295110944 ALEVWPVYDCXYJH-UHFFFAOYSA-N 578.008 6.486 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12 2313570905 IVSRUYQZSLXSCG-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313676664 QDIHPSCABYWEQZ-UHFFFAOYSA-N 515.824 7.479 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 2314476125 JFABZVNVIBGEMV-UHFFFAOYSA-N 593.130 5.706 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@H](CC)C2 2314571793 MBWXGTZSIWBDCE-HNNXBMFYSA-N 577.024 7.918 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314611052 PETCWGNYNKJEFB-UHFFFAOYSA-N 563.057 6.774 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C(C)=C(C#N)C2=O)cc1OC 2314616507 CIXDCAUAVOVHLE-UHFFFAOYSA-N 537.399 6.106 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314617333 WHBZDVHRLUAGSE-UHFFFAOYSA-N 526.596 5.897 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314617770 AJIOVXDMFLZGAI-SXRYQTSESA-N 542.683 6.694 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314619001 XXVSWRQVXDWWOQ-MHZLTWQESA-N 590.683 7.472 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314619941 HLDHBYVDOCSZAP-UHFFFAOYSA-N 591.111 7.410 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2331417743 MYKCDQGDPZKUPM-UHFFFAOYSA-N 511.485 7.777 50 10 KKGE Cn1cc(I)c(COc2c(Br)cc(Br)cc2CBr)n1 2341859301 JLSCRWFMVYDQJB-UHFFFAOYSA-N 564.841 5.024 50 10 KKGE Cc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362252890 SPMLJDDKGZZZTB-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1C 2362487714 QAROOGHUHVFVBR-JTQLQIEISA-N 659.634 7.025 50 10 KKGE COc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2364264217 VDHWABUQNVVWTP-OAQYLSRUSA-N 555.104 7.478 50 10 KKGE CC(C)(C)Oc1ccc([C@@H](Br)c2csc(I)c2)cc1Br 2381317208 WBQRNEVCYLNTKM-CQSZACIVSA-N 530.063 6.777 50 10 KKGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 3087326 DRUWQHHLVGGXDD-WCMJOSRZSA-N 506.389 5.652 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc2c1CC[C@H](C)C2 6167551 WRTLDSCJJQHDLD-QYLNOLEUSA-N 577.703 5.618 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 8576645 XFNLQRNYRBQCKS-XLNRJJMWSA-N 541.683 6.711 50 10 KKGE C=CCN1C(c2ccc(Br)cc2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 17574697 RPPDOGWFJZOEQX-YYDJUVGSSA-N 547.482 5.292 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1 35445918 OWJURPWWKZXHCZ-HIXSDJFHSA-N 522.674 7.376 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 38606325 RMHMGDUMLTUQEC-KOEQRZSOSA-N 512.635 5.280 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660934 DAEXGWWDAYKKDF-LJAQVGFWSA-N 504.542 6.315 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 38684015 BFKWXHXUXLCVRJ-MHZLTWQESA-N 518.997 6.355 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811926 DAWKKWVIIJJFRB-XXSAHEEDSA-N 509.541 6.865 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825769 NLIHCUHXPJKDEO-BVUYOFLISA-N 510.569 5.727 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826446 FQSAMRIWYYWKTA-NDUFDXOBSA-N 507.550 6.432 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc6cccnc56)c(C)c43)coc2c1C 40826786 HHIHNYOWCYAQED-PPFNPFNJSA-N 520.589 6.151 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 41014556 UXYVPXYHSJGALN-HAVVHWLPSA-N 534.653 5.159 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl 59224566 AEXXZKANOFQBFL-BOPFTXTBSA-N 512.349 6.425 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 59335943 QWAXKVUJNCISRS-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1 82178647 HEBCGILZBVTSNJ-UHFFFAOYSA-N 676.780 8.592 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914942 JJYULBXSPKKBDA-SANMLTNESA-N 521.485 5.895 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100213630 COWVVAXZTQARDU-DEOSSOPVSA-N 612.318 6.416 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 100235434 WAAXKCLVMPDOEB-DVMDLWDRSA-N 589.914 6.443 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCCCC2)c1 101013617 HRXLMZKRCIMXMC-QQTULTPQSA-N 545.709 5.269 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241028 NUZHPPYVMCKKHY-SCHJHDHGSA-N 584.063 7.225 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246036 DSQPNDZSABNUQG-MZTUTTDZSA-N 550.511 7.490 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 101333613 WSCTVRHUKBGLQY-VFCFBJKWSA-N 522.649 6.501 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101337508 AEXZDDGELXAYFX-LNVYCVNDSA-N 591.693 5.143 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 101338621 SNQKISHHXABKGO-YZSQISJMSA-N 555.078 6.906 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101363740 FRKMTPOPWVQFPB-OXRIVWDXSA-N 542.216 6.593 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384942 FSBDPGPNCINRQB-HKBQPEDESA-N 601.486 7.799 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(F)cc1 101387304 ARSIDJHEHONRNN-YTTGMZPUSA-N 601.030 6.578 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 101713545 QZUVCIYNFOFNKU-UVHMKAGCSA-N 541.243 5.744 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 101906957 IMQOSJVZJDWAGY-IUXPMGMMSA-N 568.092 8.170 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c1 103741510 YDXANMUDTQGVCO-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)ccc1O 104768459 JJQUXYPJKFDDAH-VUTHCHCSSA-N 564.509 5.543 50 10 KKGE COc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3cccc4cccnc34)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 105442863 BJCUIYHADCNHIZ-JWHWKPFMSA-N 578.694 6.101 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 150428826 CFIPGKAZSIAETO-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE CCC(CC)(CBr)COc1c(I)cc(I)cc1I 166038461 NBKXDTSUWDQSQR-UHFFFAOYSA-N 648.886 6.081 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2)cc1OC 207110765 ZVUBYKMQHVTYMD-JONXTOGCSA-N 504.627 6.096 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214271673 TVQOVELEGAEBSW-DICXZTSXSA-N 522.649 6.131 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 235812110 KYWUTCPUNCZNOJ-CQSZACIVSA-N 579.295 7.262 50 10 KKGE CC[C@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253530196 MYLPOKATQGVMSF-ZDARYORHSA-N 644.617 10.347 50 10 KKGE biogenic Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(F)cc4)c3C)cc2)S(C)(=O)=O)cc1C 254517758 KWIWBDRSTULNCI-UHFFFAOYSA-N 546.668 5.580 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 254546089 RLCNGZAVISYBBC-HKIOHLTISA-N 554.676 6.356 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Sc3cccc4cccnc34)o2)cc1 254623513 IUHQBWDAATVLQQ-UHFFFAOYSA-N 529.706 8.262 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 380305052 GWQLVYJNTTWTBF-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Br)cc2Cl)C1 382704941 FAZYURBDVZUCAK-GXFFZTMASA-N 500.602 5.488 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2I)c(Cl)c(Cl)c1Cl 404917060 HCPYJVFLILCVIG-SNVBAGLBSA-N 545.256 7.996 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 504249904 TXHGERUPFAWKNX-UKIUWTHNSA-N 583.282 7.235 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](OC(=S)Oc2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 575627374 SWCSKDJCJJBGIZ-LONLYSHFSA-N 736.963 7.995 50 10 KKGE in-vitro CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)OC(=O)CC[C@H]4[C@@H]3C[C@@H](Br)[C@]2(Br)C1 605692903 VMXYTCZASWNLEA-HWCVMEOZSA-N 506.275 5.147 50 10 KKGE in-vitro ClCc1nc2cc(I)ccc2n1-c1cc(Br)cc(Br)c1 690366004 GNOUEWVLZKLTOV-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc2c(cc1Br)OCC2 721609458 GZXCRJFMTQDIKB-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(CC2CCCCC2)CC1 725238095 COZZUMABIPKGOM-DEOSSOPVSA-N 542.067 5.805 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 725393668 DLCYBOUWKMHZSN-UHFFFAOYSA-N 665.603 5.544 50 10 KKGE COc1ccc(C=NNC(=O)c2ccnn2Cc2cccc(Br)c2)cc1CSc1ccccn1 1084122693 OBOCLMFBYAJFSN-UHFFFAOYSA-N 536.455 5.154 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 1084158599 XEBARCNTVSUWQR-UHFFFAOYSA-N 608.286 7.463 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1 1084272562 SUCKQRFLJBUDDE-UHFFFAOYSA-N 593.190 6.282 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084298237 GYIYSAKNFNOZPZ-UHFFFAOYSA-N 622.798 7.752 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c2ccc(C)cc2)cc1 1084333068 XZBPMKKNWLTVAU-UHFFFAOYSA-N 543.645 5.532 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 1084337909 HVXHAHVJBMCNDQ-JOCHJYFZSA-N 578.834 5.496 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084348999 BQJZXLYPVZQAPG-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084510743 CJOFASXLBXPQIH-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cccc2ccccc12 1084545219 XTIGBYIBAIGFSR-UHFFFAOYSA-N 506.635 5.625 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084591844 WKQSZOVTEVGOCO-OVCLIPMQSA-N 554.630 7.673 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653474 LYWXLHRKKPHYAK-GDDHYYISSA-N 584.063 7.279 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745954 MCFVIVPOHKDRMU-UHFFFAOYSA-N 524.326 6.636 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749606 NIROLFCNSRORRR-UHFFFAOYSA-N 508.578 5.307 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(Br)c1 1772755570 MLRRQSOVKCRASV-UHFFFAOYSA-N 574.313 6.662 50 10 KKGE CC1(C)O[C@H]2O[C@H]([C@@H](C[N+](=O)[O-])c3cc4c(c(OCc5ccccc5)c3C(=O)N3CCCC3)OCO4)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1 1848441680 QPZPBJQBTICBGP-XAKBSUODSA-N 670.832 5.857 50 10 KKGE CCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665478 KPKQRYXDKNVKBO-QHAIXRGKSA-N 533.281 10.127 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865688248 NVVQGFQXRRMYHB-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865695338 NTKTUAHHXAAYRH-PMERELPUSA-N 575.068 7.307 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865695808 UDMHJNAVZRCMQG-MUUNZHRXSA-N 514.670 6.297 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696271 YTQJACLEXSFGND-AREMUKBSSA-N 555.506 6.986 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704766 DFYJECSNVZHANF-MUUNZHRXSA-N 542.570 6.175 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(Cl)c1O 1865707028 MDQWBFMBNIUTKW-JOCHJYFZSA-N 502.933 5.323 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707362 VIMTWHHQHCGMAZ-FQEVSTJZSA-N 503.361 5.262 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129093 BLKAJAVLNMDHIF-FOWTUZBSSA-N 558.230 5.428 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)OCCc2ccccc2)c1C 1866129940 TWFRSVWHCHPFSX-XSFVSMFZSA-N 523.010 5.832 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866883121 FBQDEURRLXAHQU-MHZLTWQESA-N 532.625 6.356 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1C 1872746412 GWDRIBUORTUGEH-HPOSPOPRSA-N 519.623 5.028 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 1872747664 NYPNTXACMALLAL-NWIBBQCFSA-N 503.580 5.231 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(CC)cc3Br)n2)cc1 1872747877 XOXCXHGXWUHSPW-ATJXCDBQSA-N 513.457 7.186 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)\c2ccccc2)cc1 1872818263 UKJATZUXIYJRME-QEOVNUAESA-N 500.570 7.909 50 10 KKGE Brc1ccc(I)cc1COCCCCCI 1902212778 JWAPZDMGTYHBSC-UHFFFAOYSA-N 508.963 5.176 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(I)c(Br)c1 1904374792 XNIVEHHCPXZBSK-INIZCTEOSA-N 610.068 5.289 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066686 TUCPTJWPWJMEPD-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)oc1Br 1924568349 FKQMQYRNQKXNBR-SSDOTTSWSA-N 528.285 7.028 50 10 KKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CC2 1924571286 QGLOFOKAYGMGIA-NJGYIYPDSA-N 515.837 6.517 50 10 KKGE CC(=O)[C@H]1CC[C@](C)(C(=O)OC(=O)[C@@]2(C)CC[C@@H](C(C)=O)[C@]3(C)[C@@H]4CCCC[C@@H]4CC[C@@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@@]12C 1933246594 GTOLHEXSZJNTGA-LOZGVYRCSA-N 594.877 8.512 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 1945454528 QATVWKQESQAOPH-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(Br)c1 2083332978 DTHDUUCRNPCVTD-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1I 2094673889 PPAGTVYJJQGKNK-CYBMUJFWSA-N 512.048 6.785 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1C 2138874272 UVZBLADCBRIJSQ-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE CC1(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141469585 BGFSBUSAWNHYFO-SNVBAGLBSA-N 582.794 8.143 50 10 KKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470083 YNHFNXYRKFMRDZ-LEAAEXRXSA-N 538.343 7.699 50 10 KKGE CC1(C)OCCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394536 HTCKKAMYMXCUTR-UHLUBPPHSA-N 554.342 7.222 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)CC2 2206394712 IUXDPSNMWFQNMN-OOCCNLOMSA-N 550.354 7.987 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(Cl)c1Cl 2207260270 FNZDFCDTJIZXOL-LBPRGKRZSA-N 506.392 6.697 50 10 KKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2217676822 SPIRMUGDBJSBDM-ZMIZWQJLSA-N 535.843 7.060 50 10 KKGE Cc1sc([C@H](Br)c2sc(Br)c(C)c2Br)c(C)c1Br 2218964197 FRVGAELJESHHGD-VIFPVBQESA-N 537.962 7.507 50 10 KKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(Br)cc1I 2239475057 BFBWXQNMIQOEJE-UHFFFAOYSA-N 529.397 5.854 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OC)cc1I 2284997850 IRXQHAWPHFRESV-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1Cl 2288349139 MPGTZCOOZJKRKF-NSHDSACASA-N 509.797 7.281 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2296940656 UDEYGMCEFGDMFW-QFIPXVFZSA-N 522.945 5.452 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2299489846 SZBDBSSSQJTGHM-HHHXNRCGSA-N 538.279 8.091 50 10 KKGE Cc1nn(C)c([C@H](Br)c2sc(Cl)cc2I)c1Br 2301082084 WCIOQPWBPBBQNP-QMMMGPOBSA-N 510.420 5.295 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571420 VZQOHEOZNNENTP-UHFFFAOYSA-N 628.091 7.485 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(CC=Cc3ccccc3)c3ccccc32)cc1 2313649702 PIFRKIULVHNEKL-UHFFFAOYSA-N 529.640 5.972 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)cc2)cc1 2314415112 XXQPTYOHFQMJAV-PMERELPUSA-N 518.617 5.629 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593858 VBUILSKBJZYMMP-HHHXNRCGSA-N 529.662 5.764 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634803 NHKQQIRYKNAFQB-DHUJRADRSA-N 594.752 8.179 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2csc(I)c2)c1Br 2315440882 ZELHSVBCNPAWJX-SNVBAGLBSA-N 544.836 6.998 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331318416 JCNATEIHHQSFDY-QFIPXVFZSA-N 501.652 6.569 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c(Br)c1 2331339658 WSKVZXWXOJPPHQ-UHFFFAOYSA-N 519.464 7.940 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(Br)c2)c1Br 2337092500 RIZDOGUBSVPGBM-NSHDSACASA-N 536.258 7.251 50 10 KKGE Clc1ccc(COc2cccc(CBr)c2Br)cc1I 2337277627 WISVRHSEVCDCMA-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1scc(Br)c1Cl 2339684253 LYAGZJKFPKJMRQ-SECBINFHSA-N 556.314 7.621 50 10 KKGE FC1(F)C2(CCC2)[C@]1(CBr)Cc1ccc(I)c(Br)c1 2349865630 SONMGJVGEUIULG-CYBMUJFWSA-N 505.966 5.797 50 10 KKGE Brc1cc(C[C@@H]2CCCCCCCC[C@@H]2Br)ccc1I 2377289462 CZMAIOPNBUSWCG-GJZGRUSLSA-N 514.083 7.110 50 10 KKGE Brc1cc(CN2C[C@@H](Br)CC23CCCCC3)ccc1I 2377318362 STRVZGKTBZAWIU-ZDUSSCGKSA-N 513.055 5.726 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1OCCc1ccccc1 10509045 XRTWMLRPCZSWDV-UHFFFAOYSA-N 519.395 5.064 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nnc(N2CCOCC2)n1-c1ccccc1 12524727 MPVBZCORBMMIAO-DYTRJAOYSA-N 505.607 5.082 50 10 KKGE ClCCN(CCCl)c1ccc(SCCCCCNc2c3ccccc3nc3ccccc23)cc1 38140025 HQAUYCHQXXIBSF-UHFFFAOYSA-N 512.550 8.047 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701279 FCRGBUOKOLIGCG-NDEPHWFRSA-N 522.601 6.974 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39858625 MOAFYWOGKVPKMB-AQTBWJFISA-N 504.468 5.668 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 39993165 TYFSDBZNUTZZLN-QGOAFFKASA-N 504.468 5.668 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 40859503 JYNZDNDPWWIKNA-QGOAFFKASA-N 513.641 5.213 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 58893261 ISWKQVMKOICSJJ-DHDMPULVSA-N 501.410 5.935 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1 59304944 XSJBJFIDRSDFDS-RWPZCVJISA-N 508.803 6.338 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101079322 RHLXPTXETNYMGY-OVVQPSECSA-N 545.231 5.836 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 101336007 DRJVKQVQTBYPSW-ZXVVBBHZSA-N 540.689 6.060 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337681 ALZXWFDPIWIMET-JEZFPDEOSA-N 572.734 7.785 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101341019 AVJNBPOELMVTSD-MTDXEUNCSA-N 566.658 5.428 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101368093 INZCAXGWGQZVSJ-SSEXGKCCSA-N 577.077 6.737 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101378105 HJZYGUAHLQOEIC-CAQRMWTPSA-N 568.714 7.750 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379752 YWFLZXRHYZCCRH-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5)ccc43)c2)cc1 101381951 LDYMGAFDTUIDTL-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386447 QTLGKLQUFQXBRL-WJOKGBTCSA-N 587.459 6.947 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101386493 JVJYMENPPSZZGJ-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390982 KMLCCBZUHQBDOI-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101393692 IDQRFAUEGBDPJG-HHHXNRCGSA-N 585.468 8.438 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397648 XSMGXZHYLVMLJS-KYJUHHDHSA-N 566.997 5.883 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603632 YTVBPVWWGINHFZ-MTDXEUNCSA-N 533.799 5.093 50 10 KKGE CCCCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 101727443 SSKJJAKYKRXDCU-BRJLIKDPSA-N 538.920 6.647 50 10 KKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102417508 LMSQRSMGKGWDGU-RAXLEYEMSA-N 586.345 6.781 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 102832692 IQOHFWQXAYRBPL-VQNDASPWSA-N 565.617 6.251 50 10 KKGE O=C(N/N=C/c1cccc(Br)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103729303 XLXHSUTYAIMVCO-IMUCOVGGSA-N 545.093 5.638 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)O 103881114 SFKGCOHVTRGHNH-KBVAKVRCSA-N 576.447 5.841 50 10 KKGE C(=C(\N/N=C/C=C/c1ccccc1)c1ccccc1)\[P+](c1ccccc1)(c1ccccc1)c1ccccc1 106507681 ZSLUOFHIOBFJSU-LURCJGAKSA-N 509.613 7.268 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1OC 128551304 PYFKDWZAZKLILI-GFCCVEGCSA-N 549.904 6.537 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2cc1Cl 150483395 DNCVAEXSWDFOLN-HKBQPEDESA-N 645.926 9.026 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150484710 ILJIIANFWNQUNZ-MHZLTWQESA-N 658.003 9.267 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@H]1OO[C@@H](CCCCCCCC)O1 150655778 KYGUWEUFTRFTBP-JIEFWVTHSA-O 809.096 10.874 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1Br 156108038 XAZZPNUWFSTMPW-SECBINFHSA-N 507.842 6.659 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cc5ccccc5cc4O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 164018430 FKSAEJHNGVZHSK-KVAAJVFYSA-N 654.129 7.884 50 10 KKGE C=C1/C(=C\C[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212164494 IEBYGWUFYYXFGX-HHBKUJBESA-N 647.190 11.844 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 214378233 UWPJNXYLCNLKHL-MIXAMLLLSA-N 574.656 6.958 50 10 KKGE CCCCc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 232998456 VRUIHXPGYXJTEA-KRWDZBQOSA-N 508.035 6.881 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 235821530 XIFJSOBNOKKCCF-CQSZACIVSA-N 532.295 7.420 50 10 KKGE CCOC(C)(C)ON=C1[C@H](C)C[C@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@@H]1C 256001173 SFTHBPKNOPSKEE-IIJJLMMFSA-N 993.479 7.734 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 312245272 BEVKBXPBWVDLQM-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1sccc1I)OCCO2 388580964 JJRGUHTUASAFRR-LBPRGKRZSA-N 515.992 5.371 50 10 KKGE Fc1cc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Br 390684620 ZIFBMVBDBWPLHO-UHFFFAOYSA-N 500.843 6.769 50 10 KKGE Cl[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 396026204 PCQHHGZMQLZGQM-NEPHXMAZSA-N 559.102 6.923 50 10 KKGE C[C@@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504675974 LMDPTTKBLFEMRC-WZMHVPKUSA-N 840.427 14.620 50 10 KKGE in-vitro CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 504787944 WAXZORJPNLBJCF-LXQQGPPOSA-N 516.927 9.389 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 721593430 KKCWHJCBDIVEIZ-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc2ccccc12 725383419 VUTNENQCQMAWDP-LJAQVGFWSA-N 508.618 6.120 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084061636 ZMBPWDUMKMIPEX-UHFFFAOYSA-N 566.708 7.507 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084125938 LEILLOOQQSEFRG-UHFFFAOYSA-N 529.596 6.494 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084201883 HJBHGUKUSGPMFH-UHFFFAOYSA-N 676.968 6.057 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)cc1C 1084448541 GLAJFJZATDLHOY-UHFFFAOYSA-N 514.651 5.300 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 1084657491 SBYUTSMBLUXMGM-UHFFFAOYSA-N 523.976 6.828 50 10 KKGE C/C(=N\NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525656 ASTJQFVIVLLGSJ-YUHSIKFHSA-N 797.956 7.899 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 1772753668 AUYQQRGJNVFDEI-UHFFFAOYSA-N 542.268 5.580 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1772755202 UNGROQMBXJZGTL-UHFFFAOYSA-N 671.853 8.363 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865687250 NBHCFKXLLODFDI-GDLZYMKVSA-N 550.659 6.652 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865691448 SCFZIIRKNARUBM-AREMUKBSSA-N 506.562 5.339 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccccc1 1865693359 IYXOSAYKEXSYPX-XMMPIXPASA-N 532.522 6.087 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865694906 FJZGGSCVEKHZCW-AREMUKBSSA-N 561.013 6.025 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696544 OWYVYEYSKJROBE-JOCHJYFZSA-N 579.838 5.896 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698468 UUBOFJFLBJKPPN-NRFANRHFSA-N 578.294 6.518 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865702105 MTTXPLARINLAEH-MHZLTWQESA-N 540.067 6.325 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702428 ABROUYGUZSHXMI-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704394 UXIFCPBKOWMUNB-HKBQPEDESA-N 526.640 7.084 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865704745 CWYFXRCUPRKLAD-SANMLTNESA-N 579.415 6.132 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715030 UCDZCWUJERKCTN-HSZRJFAPSA-N 529.940 5.092 50 10 KKGE C[C@H](Cl)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865893230 XWVRXMWQARJDEI-ONGXEEELSA-N 508.616 5.251 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866741453 MZVHZYRQWWTBSS-CONSDPRKSA-N 571.743 6.804 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2ccccc2OC)n1 1868253218 CNXPDLXJXXTRCQ-SSEXGKCCSA-N 523.662 6.143 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868341973 GHZNTABEYSMKRF-NDEPHWFRSA-N 519.718 7.827 50 10 KKGE Cl[C@H](c1sc(Br)cc1Br)c1scc(Br)c1Br 1922889557 XGEZXOFOZZXJNT-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923049409 LICQMLKDOMXFCQ-SSDOTTSWSA-N 515.826 7.342 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)sc1Br 1924585105 HNRKKVJFANNKPI-RXMQYKEDSA-N 653.673 8.106 50 10 KKGE Cl[C@H](c1ccsc1Br)c1c(Br)sc(Br)c1Br 1924612835 OEBFQWTUARZEGI-ZCFIWIBFSA-N 530.326 7.188 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924613006 FVHCCEFFRRUADR-YFKPBYRVSA-N 521.816 6.814 50 10 KKGE COc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1950315910 OEMUGHGXVHFFPY-ZETCQYMHSA-N 525.907 6.590 50 10 KKGE CC1(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025780373 RTHIBKPEEYDFJG-MRVPVSSYSA-N 510.289 7.207 50 10 KKGE Cc1ccccc1[C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@@](=O)C(C)(C)C 2080781083 QNTFTQVQWIVMLY-PXQFAMQDSA-N 631.822 8.668 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC3(CCCC3)CO2)c1Br 2109977442 AUEXIUPWABYFHK-CBAPKCEASA-N 537.937 6.821 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2sncc2c1 2120654917 BADORGPWYOBNOK-SECBINFHSA-N 502.478 7.021 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2125302792 XRYPWTJBIOWARS-OALUTQOASA-N 503.775 5.346 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141477509 RDUJTKCWHNICJY-CQSZACIVSA-N 532.295 7.373 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)ccc1Br 2145957412 PPBDJXLZTQAWJM-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234059006 HNTZNBYQFXNHNH-VLIAUNLRSA-N 511.689 6.383 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1scc(Br)c1Cl 2253602237 SKPUPQJLHJIGBC-SECBINFHSA-N 542.287 7.312 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccccc1 2296706118 ZEVYXOGYDKZVGJ-UHFFFAOYSA-N 545.042 6.995 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2296855000 XRPNAGMLNRGIGU-UHFFFAOYSA-N 588.664 5.790 50 10 KKGE N#Cc1nc(-c2ccccc2)oc1NN=Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1 2297515684 WDYFHSCJLBNRDQ-UHFFFAOYSA-N 625.649 5.103 50 10 KKGE Clc1ccc([C@H](Br)c2sc(Cl)cc2Br)c(I)c1 2301795077 CSMIBHLAWATIHM-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1csc(I)c1 2313815779 HBHQTOAWSBVNNN-SNVBAGLBSA-N 500.385 6.889 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C[C@@H](C)O1 2314433120 JYIZKZHGTMQKMH-FGZHOGPDSA-N 592.681 5.050 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)CC1 2314475893 FEJUKJQUYSDHIE-UHFFFAOYSA-N 572.712 5.298 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314616968 OCFJFFHAGJGXLV-UHFFFAOYSA-N 506.606 5.781 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 2314772740 RJHBGHCEGZMRDR-UHFFFAOYSA-N 543.458 5.779 50 10 KKGE COc1ccc2sc(C(=O)Oc3ccc(C=C(C#N)C(=O)NCc4ccco4)cc3OC)c(Cl)c2c1 2314792470 CGSPMBCTGKABSY-UHFFFAOYSA-N 522.966 5.607 50 10 KKGE Clc1ccc([C@@H](Br)Cc2cccc(Br)c2)c(I)c1 2317767739 AMHAINSSQFZUJL-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328801175 RFBPNFVTNUYFOX-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3ccccc3Cl)nc2c1 2331046453 ZFXUVAMHCAYPRJ-UHFFFAOYSA-N 501.926 5.427 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242230 GAVACYDQWGFCAZ-OAQYLSRUSA-N 503.580 5.331 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331474342 ZPHQPVMEPKNXFB-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE CCCC(CBr)(CCC)COc1cc(Br)cc(I)c1 2338709015 QQLVZPFHKXBJAX-UHFFFAOYSA-N 504.044 6.414 50 10 KKGE CCC[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2349860912 VTHNPHSFHJOISV-STQMWFEESA-N 501.044 5.297 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360482159 UQCPNNXEQGTGPN-LLVKDONJSA-N 556.797 7.123 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)ccc1I 2365188449 LGZHIBSBFVOCMA-ZDUSSCGKSA-N 552.834 7.245 50 10 KKGE C[C@](CI)(OCc1cc(I)ccc1Br)c1ccccc1 2367600427 GWTWLGANQRRUSK-MRXNPFEDSA-N 557.007 5.921 50 10 KKGE C/C(=N\NC(=O)CCCCCCCC(=O)N/N=C(\C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 20075273 SKJFQRBDMKLNMQ-DNHJVCTKSA-N 520.677 7.104 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCCCC)c3)ccc21 38686178 FGWIXTHJAWJJDM-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)c(C)c2c1 38700525 AQXSBOHTKLTKFB-XMMPIXPASA-N 515.363 6.250 50 10 KKGE CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc2c3c(cccc13)CC2 59464116 IZVIADHPHZYHJT-FDAWAROLSA-N 507.615 5.161 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 100232005 ULRKVBZFPBUFNP-BXYKZGNCSA-N 536.426 5.262 50 10 KKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 100442966 ULXMRAAQIUWNFE-UHFFFAOYSA-N 505.497 6.830 50 10 KKGE C[C@@H]1C[C@@H](C)CN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1 100869267 ONDBTBALYALFPH-FYXALXFSSA-N 500.113 5.177 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241362 LFJGDDYJKAFBJQ-IDJUBOEBSA-N 536.484 6.353 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244277 LYWXLHRKKPHYAK-VAMWZUOXSA-N 584.063 7.279 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244861 XIACHIHIDFHIIH-FYAMCCBRSA-N 521.564 6.387 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101368001 PLBDAZQLGPVGMF-HHHXNRCGSA-N 529.549 5.610 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 101374142 LYZRBSPITJEVQZ-GDLZYMKVSA-N 549.023 6.120 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383310 FYINRNKJAVVAPT-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383886 HPKVFUOXOLRTHW-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383955 CZHFSICCUDIIHL-WJOKGBTCSA-N 536.559 5.780 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386811 NNCGEXPYSRSCSP-UUWRZZSWSA-N 608.666 6.913 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)c1 101388306 KPBROLAEHDTQNQ-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389311 MCCZQOGMMSYJNM-PMERELPUSA-N 615.455 7.003 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 101395666 UOIHVXGNYDRFJR-WJOKGBTCSA-N 566.654 7.455 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399333 DLINSCSMICJAQX-MGBGTMOVSA-N 621.089 8.036 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602916 XUAVYRLIOSECCC-JBASAIQMSA-N 559.420 5.049 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1C 101680528 WPWJFFIVIFJCRB-SGPFUSTBSA-N 588.660 6.433 50 10 KKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 101735282 NHCFGWWJZWUNPD-IZZDOVSWSA-N 523.583 6.408 50 10 KKGE CCOc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 102349253 VWPQHPHNHFTAIM-JWGURIENSA-N 527.422 6.305 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 103879181 RDWOTJPTMRPHJQ-GUBAARJWSA-N 600.675 7.441 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 105914118 NGTADVUCBQTBCH-KKPFIQQYSA-N 536.557 7.607 50 10 KKGE Cc1c(C)c(C)c(CS/C(Nc2ccccc2Cl)=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1C 106865171 RSJWVMJEARFSTK-WEMUOSSPSA-N 558.069 8.620 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1ccc2ccccc2c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 150363525 LZUPRBQLBPIWNV-TXRLWSLRSA-N 630.169 8.387 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 150418998 PGVXHOZVVGLQFD-UHFFFAOYSA-N 649.405 5.671 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 150422814 NGUIHKJCHRQAFT-SLLOZXFSSA-N 637.312 5.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1 150460087 CJZPIVVEOOBMMC-MUUNZHRXSA-N 629.521 8.233 50 10 KKGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 252622675 OAGHOLCRUDVHPL-FQEVSTJZSA-N 546.259 6.237 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc2ccccc2c1Br 252638727 YEYRULLOBFUOJM-UHFFFAOYSA-N 506.194 5.293 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OCC)cc2)cc1 254627535 PWNLMMSXVAKCPC-UHFFFAOYSA-N 515.639 5.364 50 10 KKGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1Cl 254699932 SNUNWUHSTKRVHO-UHFFFAOYSA-N 525.992 5.546 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2I)[C@@H](CBr)C1 382698306 BOLBJHYOPGBLHT-YOEHRIQHSA-N 534.619 5.692 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@@H](O)[C@@]1(O)CCC[C@]2(C)[C@H]([C@@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]21 575231899 XDBLYTWRNMYVCA-ALIYGDBXSA-N 544.937 8.836 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586307 HKOFRLLVGWKTHV-WHZJULEDSA-N 560.801 5.253 50 10 KKGE Fc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(F)cc1Br 721609429 GVJKHVKIGPKMOD-CYBMUJFWSA-N 566.803 6.579 50 10 KKGE Clc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c(Cl)c1Cl 721612262 ICYXRCSKNFYUIF-SNVBAGLBSA-N 545.256 7.996 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc(Cl)c3)cc2)c2cccc3cccnc23)cc1 1083849826 MOEOREFSZMGPHE-UHFFFAOYSA-N 569.086 6.356 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1083987620 SIOIWDKATHYPDY-OYRHEFFESA-N 603.657 5.938 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)c(C)c1 1084041382 VNBUJVOGQKJICO-NDENLUEZSA-N 540.255 6.953 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2ccccc2F)c2ccccc21 1084048545 HBYISHRLHPJGNF-UHFFFAOYSA-N 591.706 7.252 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12 1084106245 BDZFQDZFACOEDA-SANMLTNESA-N 517.423 6.145 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(SC)cc2)cc1 1084117470 PBZHMCVGGNJZCY-UHFFFAOYSA-N 545.686 5.577 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1 1084197627 HXQOQIYLYJXLSY-UHFFFAOYSA-N 656.645 6.638 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1 1084243962 MRTCPSCUKNPSJX-UHFFFAOYSA-N 572.470 5.998 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084290516 FYAJQOMDRFWIIU-OAQYLSRUSA-N 642.568 7.980 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)NCCc1c[nH]c2ccccc12 1084320869 BNNSSRKXPODKAF-FYJGNVAPSA-N 626.292 6.380 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084325562 DREGVOZMQUQJQV-CXUHLZMHSA-N 532.767 6.688 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12 1084467414 BBJDLKHPGVVVSB-OYKKKHCWSA-N 541.445 7.352 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1 1084482329 KVGBPWWRKBGQSC-UHFFFAOYSA-N 668.797 9.518 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1084607134 OXJXQFZZSXZGER-UHFFFAOYSA-N 572.492 6.765 50 10 KKGE N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084655135 XJUGQZZYXKRHCD-RUDMXATFSA-N 584.966 5.454 50 10 KKGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1OCC 1614628246 XHZXZYUPYROOAX-PMACEKPBSA-N 509.384 5.271 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 1772760445 NIKWOVIXCDIGRJ-UHFFFAOYSA-N 515.422 5.700 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682499 QBBAANNIYRBLFZ-VWLOTQADSA-N 511.025 6.717 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688272 OINVJTNCMKEMDA-HSZRJFAPSA-N 577.866 6.337 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865691813 BPLYUJFBJJLSFU-QFIPXVFZSA-N 557.876 6.256 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865693158 RYQVWEPBTQCJNT-VWLOTQADSA-N 551.485 6.025 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694263 RUCZQMQQMGCZHG-NDEPHWFRSA-N 541.051 6.674 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OC 1865696259 CYCDDGLHNFAPSM-HHHXNRCGSA-N 557.050 6.607 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701383 UKUWJTQAVUGHLA-MHZLTWQESA-N 579.915 7.641 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702603 BXGUWFRLCLIJDG-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCc1ccccc1C 1865703444 VUDNBFBKDOPHCL-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705144 NJTOTXLIIWILOO-JOCHJYFZSA-N 534.469 5.527 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc(Cl)c1O 1865706998 LIISAHDAUWHQKJ-NRFANRHFSA-N 549.812 5.888 50 10 KKGE CC[C@](C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867035595 QZYRPQUOLAATIE-RDPSFJRHSA-N 542.459 5.159 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4ccc(OC)cc4)CC3)n2)cc1 1868527997 MGIGUMNNNZWMFR-UHFFFAOYSA-N 553.688 6.915 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 1872754735 GMLJKTXLKXPCPM-UZYVYHOESA-N 512.031 6.001 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872789993 CXAWBQBXIKFQBU-RQZCQDPDSA-N 503.849 7.478 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1Cl 1873794480 LCYGUUFBSFNPQG-LALFDASXSA-N 510.119 6.859 50 10 KKGE Cl[C@H](c1c(Br)cccc1Br)c1c(Br)sc(Br)c1Br 1924570218 GORYWLNWCAMFQD-SECBINFHSA-N 603.193 7.889 50 10 KKGE Cl[C@H](c1cc2c(s1)CCCC2)c1c(Br)sc(Br)c1Br 1924600305 PPXVGNBYIAPLCX-LLVKDONJSA-N 505.522 7.304 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC23CCOCC3)c1Br 1924608575 KJZIJYFGXJLGFN-SVRRBLITSA-N 523.910 6.288 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)sn2)cc1Br 2007643250 DYIJKLRJKGXLIR-NSHDSACASA-N 507.416 5.909 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012783 VXKLAISHHCZDBL-GMZYPXQISA-N 756.833 13.612 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)Cc1cccs1 2059264098 ADLQEKJFRAVOMY-UHFFFAOYSA-N 521.321 5.858 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)c(Br)c2)c1Br 2138849497 DUPPOLIAJDBNQV-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CC1(C)C[C@H]1CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468588 LKUHJBQAKODYCM-GMSGAONNSA-N 538.343 7.843 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141471225 PBQRGYJNSWAQPD-WHFBIAKZSA-N 596.699 7.761 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1COCCOC1 2141472864 IUWLNWYQNRJMCO-LBPRGKRZSA-N 542.287 5.680 50 10 KKGE Brc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(I)c1 2142277949 WTZWRXPLUMBLDN-ZDUSSCGKSA-N 576.917 7.239 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)cccc1Br 2203838689 DBWFHTUBSYGNKP-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Clc1ccccc1[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2222473155 RIXFUSJWXISNBA-ZETCQYMHSA-N 538.324 7.368 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)c(Cl)c1Cl 2224317949 SGDMJVXWRULQRP-QMMMGPOBSA-N 548.736 8.324 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2225619356 IBAINSCTWKNJOO-CYBMUJFWSA-N 627.709 7.202 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Cl 2232528898 VGTDEIQVNADTOU-CQSZACIVSA-N 501.871 7.620 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)cccc1I 2247982461 VSHLNPHSGLWVAD-KRWDZBQOSA-N 504.181 5.492 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csc(I)c1 2260006761 WKYMBPKLPUXWNJ-SNVBAGLBSA-N 528.381 6.484 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263524002 DWRVVDPWURCZCR-JTQLQIEISA-N 501.842 5.386 50 10 KKGE Brc1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2263617129 CEAURFDCMNGMHD-JTQLQIEISA-N 551.970 7.796 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)s1 2295669852 AFKOHVLABJBELP-UHFFFAOYSA-N 552.483 7.343 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccccc1Br 2297708213 NRRJTRKMHWVICE-UHFFFAOYSA-N 559.416 5.873 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(Br)cccc1Br 2303543574 RGVHPPJCODXOJS-AWEZNQCLSA-N 520.059 5.312 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1 2313518119 KGVNRJKEHGXZRJ-UHFFFAOYSA-N 552.412 6.431 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F 2313571166 OXYFOMQLQSATJS-UHFFFAOYSA-N 550.211 7.028 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314617316 VVYWKQJLJGUCNN-UHFFFAOYSA-N 607.490 6.433 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C(C)=C(C#N)C1=O 2314617836 BRLVADWTBJQYJN-UHFFFAOYSA-N 524.621 5.265 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314617846 BUXAPMWBQOTWHZ-PMERELPUSA-N 588.639 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314619595 CHAYFOGFYXKHSU-UHFFFAOYSA-N 507.771 6.155 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 2314634014 BQBAGDYGFLGBNE-MHZLTWQESA-N 529.434 6.584 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644619 WQSLGJJUJHYFAF-PSXMRANNSA-N 669.605 9.106 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 2328799142 GFCXIQJBRKMCJC-NRFANRHFSA-N 502.011 5.167 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331279096 IGDLWXKNXRKVKC-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402340 QNAUTJFLLMTNEM-UHFFFAOYSA-N 506.790 5.376 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1Cl 2331480500 XWIZWGODIDUOAT-UHFFFAOYSA-N 507.398 7.409 50 10 KKGE CC(C)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2343662121 NEAFJOCIVVDFNR-NSHDSACASA-N 531.933 7.643 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)Cc1ccccc1I 2360497329 PBIPBMFKZDIYEN-MRVPVSSYSA-N 508.383 7.022 50 10 KKGE C[C@@](CI)(OCc1c(Br)cccc1Br)c1ccccc1 2366144791 JLAZRPFNEMFMDD-INIZCTEOSA-N 510.007 6.079 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 38606336 QUGIPADYMDNYCC-ZXVVBBHZSA-N 524.621 5.347 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38682952 OXTKJOXUMJFTDD-HKBQPEDESA-N 504.586 6.385 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811759 IXRPSLWESZXKJK-QUPMIFSKSA-N 517.379 6.193 50 10 KKGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813679 RZXWNQNQPXUCPD-RDRPBHBLSA-N 514.365 5.024 50 10 KKGE Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4[N+](=O)[O-])o3)[nH]c2c1 58832823 HQTKLACLHWLBRP-UUYOSTAYSA-N 504.590 7.572 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 100236326 XCTKIHLOJZBBSO-LCVHJTKWSA-N 559.432 5.538 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)c2)cc1 101012502 FMGUVYCHKBHHTR-RGXNXFOYSA-N 545.664 7.074 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242184 YZEZTGUQOUJNTG-FYAMCCBRSA-N 506.027 5.799 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 101286628 VXWOROZPCHLIJZ-UPKGHWAZSA-N 534.616 5.184 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101332814 PDEJMTGIWQVJEM-VUTHCHCSSA-N 528.612 6.121 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101340921 ARFXDPPPAPBWSB-OEAKJJBVSA-N 547.438 6.764 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369463 VGZFBKVZFKFORF-UKPGIYTDSA-N 532.596 6.632 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380484 CLURDROINOBXMY-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383410 OQZUOFVUXADHBH-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386238 LUJSYJOHBSBJED-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387730 BQRNAJSBHQGNCC-CLXNRFDFSA-N 593.079 7.463 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccccc1Cl 101391017 RYPSYTWIGNWUQI-FQEVSTJZSA-N 562.261 7.952 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 101395358 QPNDHADBYYVREH-VMPREFPWSA-N 542.588 5.228 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 101396317 GLIWVXZCRSBQOG-AREMUKBSSA-N 545.060 7.417 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597100 VDSFDNYBGWYMDI-QFMPWRQOSA-N 524.533 6.011 50 10 KKGE O=C(CCl)Nc1c(C(=O)c2ccccc2)sc2sc(C(=O)c3ccccc3)c(NC(=O)CCl)c12 101628634 IIHNOFQVOWZJSR-UHFFFAOYSA-N 531.442 5.779 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1COc1ccccc1Cl 103563422 DUXIWCBQMNNEGG-ATZGPIRCSA-N 578.452 6.362 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 103878313 MMUJDIZOLPXXJB-ALQBTCKLSA-N 569.478 7.526 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 105159701 XOMRTNVAZNOGAU-MBTVCVBTSA-N 530.249 7.119 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 105566700 YZOXHLHEEUJDDF-PLRJNAJWSA-N 527.425 5.893 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 150432230 ZAMKZJQGPVHFMG-LPSZMKJGSA-N 652.529 6.785 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433828 XTYALAJBVDLAKR-LJAQVGFWSA-N 746.883 10.583 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 150482128 ACCFSQILMYNQTI-HHHXNRCGSA-N 642.004 9.648 50 10 KKGE CCCCCCCCC[C@H](Br)C(Br)(Br)C(Br)(Br)Br 159204927 HPYKUSUQLFQWGK-JTQLQIEISA-N 643.716 8.215 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1 164641002 STUIYNCKZNATHL-ZSNJKBEMSA-N 675.954 8.062 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 236170044 JLMSXCSCAOFZFX-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE CC(=NNC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br)c1ccc(C)cc1 252591673 BBUNJQQMVKJVBG-UHFFFAOYSA-N 552.351 7.153 50 10 KKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1OCC 252621823 NHNOIUACPZZZKW-UHFFFAOYSA-N 509.650 7.367 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1c[nH]c2ccccc12 252637583 XTUVPZSEFLRRBC-SFHVURJKSA-N 530.057 5.645 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498449 MPDRBMWFDJELIO-OZDNJKSDSA-N 742.806 13.221 50 10 KKGE biogenic CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)sc2c1CCCC2 254310707 UFXRSNSRYOWSMR-UHFFFAOYSA-N 555.700 5.597 50 10 KKGE CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(C2CCCCC2)cc1 254407745 QVAUNDDJZZVIGL-UHFFFAOYSA-N 524.108 8.709 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1 254506194 OICQCAKOBSKBGV-UHFFFAOYSA-N 758.837 6.840 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3OC)nnc2-c2ccc(C)cc2)cc1 254800041 OVJDJHGNQGETGS-XHFWYXIUSA-N 513.623 5.167 50 10 KKGE CC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2ccc(Br)o2)c1 254815941 GBZJHWBNQVHZIR-UHFFFAOYSA-N 516.395 5.967 50 10 KKGE Nc1nnc(SCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)s1 256028442 MJTNTMSTKVNAOL-UHFFFAOYSA-N 547.287 5.011 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2Br)C1 382686647 GDLILSFAGZIPMC-ZWNOBZJWSA-N 500.602 5.488 50 10 KKGE Fc1cc(CCl)cc(F)c1Oc1c(I)cc(Cl)cc1I 383857662 XHFCDCPJWOQVJC-UHFFFAOYSA-N 540.900 6.359 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1sccc1I 385719926 MTBDTFWGZSIKOC-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c(Cl)c1Cl 405084673 NMGGHTNFGGSRBY-JTQLQIEISA-N 542.707 8.310 50 10 KKGE BrCC(CBr)(Cc1ccc(I)cc1)C1CCOCC1 688453970 QELADGBDDBRCBT-UHFFFAOYSA-N 502.028 5.037 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083816741 MHNHIGWCUNOEFZ-AGGIAQGOSA-N 578.822 7.136 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1 1083984712 IFHKNZXJMGYDAU-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084032871 PXYQDBDJZCSYQF-FRKPEAEDSA-N 531.779 6.509 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 1084103805 XUYVLRHBJUIZSG-CIAFOILYSA-N 538.385 6.041 50 10 KKGE O=C(COc1cccc(Cl)c1)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084116049 ZXTMITRJMPCWQT-UHFFFAOYSA-N 500.201 6.029 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(F)cc1 1084167041 VVQZMAOUGWRRBG-UHFFFAOYSA-N 623.216 6.291 50 10 KKGE Cc1cc(C=NNC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084303902 VCNLJAYBIDNDMY-UHFFFAOYSA-N 644.276 5.093 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c2ccc(C)c(C)c2)cc1 1084397162 GFJPGCPISBYPRQ-UHFFFAOYSA-N 576.118 6.190 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Br)c2C)cc1C 1084404324 AWNGKBZKILYMOV-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccc(Cl)cc1Cl 1084537559 RUBHLRDHGAFRLE-UHFFFAOYSA-N 593.473 6.912 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084639718 FQQGKQWWIQWUDN-HHHXNRCGSA-N 620.371 7.426 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(Br)cc5)c(C)c43)coc2c1 1772751851 ATQHHTHBIZGGKA-UHFFFAOYSA-N 591.462 5.188 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687150 KNDZNZQYMCDTBW-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688251 NWDXQVXPVZWDDG-NDEPHWFRSA-N 541.051 5.995 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688499 TZSMONSNMMOZFW-MHZLTWQESA-N 506.606 5.808 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865690159 KFHAOAPTZKTLDU-HXUWFJFHSA-N 547.375 6.441 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865690817 BUCOQIMLDFFBAJ-QHCPKHFHSA-N 526.559 6.385 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(OC)c1OC 1865692418 LWNVKPUMYKGZNY-RUZDIDTESA-N 508.578 5.151 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CC)nn2Cc1ccc(Cl)c(Cl)c1 1865694561 ZGWPFZSRGKOTBG-QFIPXVFZSA-N 513.425 5.816 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865694955 GOFHGXVVBGIDPO-VWLOTQADSA-N 512.997 5.877 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695577 QAYCFTBANGHYHU-RUZDIDTESA-N 503.389 6.285 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1OC 1865701264 QTXCZZHTAOTIHX-AREMUKBSSA-N 500.558 5.928 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702763 DSOIXDYXAZDGKC-VWLOTQADSA-N 547.840 6.394 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704855 GEPWWBLMOUGVNJ-QHCPKHFHSA-N 541.435 5.854 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705388 UPGIWMSDBOZJDI-AREMUKBSSA-N 507.594 5.334 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866660674 AVLGAKULPDMTLX-RUZDIDTESA-N 547.036 5.491 50 10 KKGE CC(C)[C@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866751007 RHNLJWIUTGJEKK-IZZNHLLZSA-N 522.070 6.115 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1868231792 SALMPHAVPDOSLF-UHFFFAOYSA-N 533.061 5.947 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(F)c4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433885 UBTYLRRCLKHOKP-UHFFFAOYSA-N 559.114 7.008 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)nc2c1 1872728662 NFLCAWIRUMKFJM-IACRLCCOSA-N 551.606 6.542 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCCc1ccccc1 1872790329 ASWYDWYFJXBWGE-FYJGNVAPSA-N 507.442 7.811 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915289059 PLNZWQVWUWPODI-CQSZACIVSA-N 524.116 6.335 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 1924614608 POSHGWGAIALWBJ-JVZYCSMKSA-N 507.911 6.908 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925549295 TWSHUXUQGWKRKV-QMMMGPOBSA-N 511.863 7.512 50 10 KKGE Br[C@H]1C[C@@H](COc2c(I)cc(I)cc2I)C1 1991497926 WKMLOQZRZGNGHJ-KNVOCYPGSA-N 618.816 5.053 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995286485 ULKBIERJCKXBNQ-ZDUSSCGKSA-N 551.060 5.870 50 10 KKGE FC1(F)C[C@]12C[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Br 2004505626 CEKRBKNRVTZKGT-VBMFSKJDSA-N 515.837 6.517 50 10 KKGE COC(=O)C[C@@H](CC(=O)C=Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C 2053584522 MQGVAZIDAZIVGR-HSZRJFAPSA-N 607.821 5.728 50 10 KKGE COc1c(C(C)(C)C)cc(-c2ccccc2[C@H](CP(c2ccccc2)c2ccccc2)N[S@@](=O)C(C)(C)C)cc1C(C)(C)C 2080744397 VXLTVDIYSIOQSB-BTDRIEDLSA-N 627.875 9.183 50 10 KKGE CN([C@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080759513 XBSXYNDYLLPLCL-XLWWBGEVSA-N 535.693 7.081 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2sccc2I)c1Br 2081071303 NKZNSERLLMIGQX-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085493409 BOUFVFDFIOARAR-UWVGGRQHSA-N 532.242 7.062 50 10 KKGE CC(C)(CBr)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2108762466 SYTISUDXJXRFCZ-UHFFFAOYSA-N 516.857 5.227 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2141475178 JWDBVKMHWJGQLW-HQJQHLMTSA-N 580.778 7.753 50 10 KKGE CC(C)(C)OC(=O)NCCCN(CC1(CBr)CCCC1)c1cccc(Br)c1 2163059024 PSFODFGZROLDLM-UHFFFAOYSA-N 504.307 6.126 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1scc(C(F)(F)F)c1Br 2169668718 SYXOGUVAGWBBMI-VIFPVBQESA-N 543.943 6.757 50 10 KKGE COc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404718 BPQRQTMTVBYTRZ-CQSZACIVSA-N 548.294 7.073 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2ccc(Br)c(C)c2Br)c1 2232222255 HMBOTTSPRNVOJQ-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1 2240827394 WSLHTZXNUDKMAZ-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)c(F)c1Cl 2264605492 PPNIOGLGRUUCIM-SSDOTTSWSA-N 515.826 7.342 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)c(C)c1Cl 2264610585 XFRIVYOPAXOEMI-SNVBAGLBSA-N 507.900 7.681 50 10 KKGE Brc1cc2sc([C@@H](Br)c3c(Br)cccc3Br)cc2s1 2278029166 LZWXWJZPFZQXOW-CYBMUJFWSA-N 545.941 7.735 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccccc1Cl 2294171910 IUJMSFQYUQUVKU-UHFFFAOYSA-N 540.063 6.793 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(=O)c1cccc2ccccc12 2295459730 SHSXQHXRNQZBJT-UHFFFAOYSA-N 571.383 6.074 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296500355 KIOICZFXGIZPIR-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2296647874 UBXZDAGQYQLALR-UHFFFAOYSA-N 639.152 6.725 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl 2313521365 JCDWYZXFBZLZGN-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 2313671260 WSFQMZFIPUKFDE-UHFFFAOYSA-N 511.405 6.915 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 2314432756 FZGBGBGRHIZTAR-UHFFFAOYSA-N 573.674 8.180 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 2314792679 CPXLQMNTCOFGCL-UHFFFAOYSA-N 500.620 6.415 50 10 KKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 2325309832 GQLJLILVJTYBPP-UHFFFAOYSA-N 510.619 6.687 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)ccc1F 2331320399 JEKLVPPMZWENOX-UHFFFAOYSA-N 509.562 6.046 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c(OC)cc1Cl 2331377023 ZEXSIAXDLHCFBI-UHFFFAOYSA-N 507.011 7.286 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OC 2331437982 MQYYZUUBUBRPLD-UHFFFAOYSA-N 520.695 8.029 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 2331440954 FVEUPTYUVOGYHS-UHFFFAOYSA-N 519.667 6.309 50 10 KKGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333248771 ZFWAEVQMHYNGJL-ROJLCIKYSA-N 747.802 5.716 50 10 KKGE BrCC(CBr)(Cc1sccc1I)c1ccc(Br)cc1 2338756565 ANBNMGNGRCTTQH-UHFFFAOYSA-N 578.933 6.386 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(F)cc1Br 2340062901 FNJZUFPLVYDHQM-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE C[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@@H]1CCBr 2349846979 FSUQHVDQRLEXBU-IAQYHMDHSA-N 501.044 5.439 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362254089 KWXGQNWEFRVIBA-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE COc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 2364188769 RLLFQRMORXJQLO-SECBINFHSA-N 612.801 7.485 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H]3COc4ccc(C(C)(C)C)cc4O3)cc2)cc1 26608416 YLHPBKIJKDVEOL-ICLYNSGKSA-N 514.622 5.791 50 10 KKGE Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(OCc4ccccc4)cc3)s2)cc1Cl 33618517 BLYKEMMNZJPWGN-QRVIBDJDSA-N 500.023 6.820 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 38684073 SKCPGPKRZDTYAD-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE Cc1cc(C)c(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccccc4)cs3)cc2)cc1C 40924539 BLHDSBWOKLTDMB-WKULSOCRSA-N 501.677 6.557 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 40948202 BKXQAHDQBIUKTJ-VCHYOVAHSA-N 516.388 5.344 50 10 KKGE COc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 40960840 NRQTWSMPFOFSRH-KXVDBBMMSA-N 503.382 5.507 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914721 MBWZDVDHFPDSQB-QEYPREHFSA-N 535.512 6.141 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 97984605 XCHUBBUYXSYOEK-MOHJPFBDSA-N 550.615 6.162 50 10 KKGE COC(=O)c1ccccc1-c1ccc(C[C@H](Br)c2ccc(-c3ccccc3C(=O)OC)cc2)cc1 100221867 KFCFCNYBPVPRAZ-NDEPHWFRSA-N 529.430 7.273 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227674 UCBAFTKHJQVGBB-WOJGMQOQSA-N 603.800 6.376 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 100452796 ZCXCDJRKNPAEOI-MAGAZJOKSA-N 554.428 5.563 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3Cl)nc12 101115545 CREXZYPCLZSUSF-VBKFSLOCSA-N 524.886 6.013 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246379 PVBQWJYWPLAESM-IEQIIXMPSA-N 546.490 6.439 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246706 ILZDMLHLQBHVET-LVVXZCGBSA-N 513.619 5.467 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 101336182 JPOAOIVMQFRHPI-TWKHWXDSSA-N 566.702 6.434 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 101338243 SLYOUXJIOITBJB-LHLOQNFPSA-N 500.639 6.269 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101367616 UHOFSXJJFSXONC-SANMLTNESA-N 549.421 6.074 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101368316 LFEJQDKTLWNMBF-HHHXNRCGSA-N 529.549 5.466 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379256 FTDHTBAPJVNWEJ-XIFFEERXSA-N 595.095 7.419 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382607 YKQZKPKBBNIAJA-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383425 GBEYCPXRKMOYCP-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383893 LVCCFIBGYOZAHT-JGCGQSQUSA-N 550.586 6.170 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386461 NSCVBYAGDKLZNO-YTTGMZPUSA-N 583.040 6.302 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101393370 FJGFFXDZLFJBOO-PMERELPUSA-N 625.549 8.043 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 101397351 CXEJYWVKHDYEKT-SSEXGKCCSA-N 536.628 7.364 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)nnc1-c1ccccc1Br 104768802 RQVHGCGMSMWAQT-STBIYBPSSA-N 565.497 5.023 50 10 KKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 142442781 BYKSEOKMIBWOGK-GHRIWEEISA-N 520.467 5.368 50 10 KKGE CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150423776 QHKZMZZMFJUUDW-UHFFFAOYSA-N 660.182 5.241 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462834 STJAGAPPXCOIFL-NDEPHWFRSA-N 681.956 9.026 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150463260 VZFNDAOWDXJWJP-HKBQPEDESA-N 700.402 9.114 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 164633281 VWNYXCORJFENRB-VPUKRXIYSA-N 627.116 7.616 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1 164647776 IGRSRKMCCLOXOQ-JEPNHJGPSA-N 737.379 8.005 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@H](CC)C2 209399870 UCXXKJADKAKTAL-SKQHNDAPSA-N 533.606 6.462 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 209405889 KNUSWDJAYOXVNH-MLPWYGTASA-N 530.646 6.183 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 214232787 HEFFVQVIFQFNNO-DIBXZPPDSA-N 522.649 6.419 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214286969 HJPHUPXWYMRCAG-YUMHPJSZSA-N 524.621 5.121 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3cc(I)ccc3Br)ccc2O1 235771330 MDLHIGGCHWNYJM-FVMDXXJSSA-N 507.991 5.861 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254734987 NGADKXHCTSHJAC-UHFFFAOYSA-N 566.633 5.709 50 10 KKGE O=C(Nc1cccc(CCBr)c1)c1cc(I)ccc1Br 313176345 QBRRWMXUHCVKJG-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE CCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 388231407 FZJQJBPEZFVHIY-GGZOMVNGSA-N 571.418 5.259 50 10 KKGE CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)n(-c2ccccc2)c(=O)n14 575417062 KCXLAKGJFFCJGC-RNZHTXRASA-N 690.058 8.231 50 10 KKGE in-vitro CC(C)(c1cc(Br)c(OCCC(Br)Br)c(Br)c1)c1cc(Br)c(OC[C@H](Br)CBr)c(Br)c1 606228183 LGZUGAYBUZLCCV-CYBMUJFWSA-N 943.621 10.485 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616692541 VZIPNKIEBRWFTG-HHHXNRCGSA-N 508.760 6.613 50 10 KKGE ClCc1nc2cc(Cl)ccc2n1-c1cc(I)cc(I)c1 690394664 DIXVFWYZNFKMDP-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE C[C@H](COCc1ccccc1)COc1c(Br)cc(CBr)cc1Br 719522157 LSRHXFKIPCXJJP-CYBMUJFWSA-N 507.060 6.338 50 10 KKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(I)c(Br)c1 721593992 MUTIWCJQZWBBAX-CQSZACIVSA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721608204 FDSOSNJQCCYEOS-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 725431151 YILLEPZQVCDTBH-VWLOTQADSA-N 671.359 6.938 50 10 KKGE C[C@@]12CC[C@H](O[C@@H]3CCCCO3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](CI)CC[C@H]12 1076432073 VJCWEUYDXCVIJK-PTVXFZHLSA-N 500.505 6.992 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 1083887339 FVJRDVYFMRKJFK-YBFXNURJSA-N 556.254 6.653 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1083958200 JHFFWESECJMQOT-UHFFFAOYSA-N 619.799 5.956 50 10 KKGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 1083960295 IBZVVLBCEMVAKP-UHFFFAOYSA-N 586.895 5.263 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Br)c1 1084002724 KDMSSIXVUBJBIX-UHFFFAOYSA-N 583.574 7.075 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1084079987 RFSQDFLHRXFLBH-DEOSSOPVSA-N 535.855 6.588 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1 1084144750 HXZZHDLIFKXIEU-UHFFFAOYSA-N 569.705 7.923 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(F)cc1 1084146926 TVRGPKFKTVBSGL-UHFFFAOYSA-N 517.582 5.881 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cccc(Cl)c1 1084206958 DTIVPDRGHAYOCB-UHFFFAOYSA-N 516.873 6.639 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084250921 UTRQYGGQKLLHLK-MHZLTWQESA-N 517.582 5.265 50 10 KKGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1 1084343821 PNEXYPFREDIVNU-UHFFFAOYSA-N 654.383 5.539 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 1084359192 RRCSURVVGUJEMW-AREMUKBSSA-N 547.449 6.154 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084418275 XVROWPRLWHWQLZ-XSFVSMFZSA-N 507.384 5.981 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2ccccc2c1 1084550627 GYNOTDDHVLQRRE-TURZUDJPSA-N 552.074 6.727 50 10 KKGE CN(CC(=NNC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1)C(=O)c1ccc(F)cc1 1088698774 ZIZSRNBRRPGHAG-UHFFFAOYSA-N 506.431 5.161 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720151 GVEHJDPHAQMOBM-UHFFFAOYSA-N 872.925 6.525 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744616 YOCIMZDCUWKTDE-UHFFFAOYSA-N 510.388 5.390 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749221 RKXDXMQMIQQQIB-UHFFFAOYSA-N 540.708 5.616 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C)cc1 1772755123 OMJKBGACGWZDGY-UHFFFAOYSA-N 616.990 7.364 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684032 LNNMJCBIHIVTDB-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685776 MSVFBIUDMULSFK-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865688099 JHRYCOZXUSEQST-SANMLTNESA-N 560.576 6.455 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694950 GJSLFWZOWKSNQK-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865696513 GSIBXQFWTBZLGV-GOSISDBHSA-N 567.337 5.477 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701277 RDMSGTHMVLNJJV-MHZLTWQESA-N 545.470 6.988 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866776882 PPZHYHSKRGTFTQ-VMPREFPWSA-N 539.632 5.993 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1OC 1868321314 ZDRVAGMEMFEEJA-AHWVRZQESA-N 553.688 6.488 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 1872754081 BKMUZCTXQIIXIC-JXAWBTAJSA-N 507.311 6.200 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 1872791608 NPHUCEYPBWHGPR-WOJGMQOQSA-N 501.421 7.353 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915294792 CRTBBRPGWPBJKW-QGZVFWFLSA-N 554.142 5.822 50 10 KKGE CC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924608408 HTWHPCCTBOKJRW-ZCFIWIBFSA-N 517.853 6.907 50 10 KKGE C[C@@H]1C[C@]1(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780111 PARIDGFFMIYQMU-XBZVRZDZSA-N 554.740 7.219 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)s1 2033091935 XGDLNQOTGSOZTL-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE COc1ccc(C(=O)NNC(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2ccccc2Cl)CCC3)cc1 2042439444 BFJPXYNEOSGKQL-UHFFFAOYSA-N 556.018 5.392 50 10 KKGE CC(C)(C)c1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc1 2042440804 KKEGRSUKRVGQNZ-UHFFFAOYSA-N 551.618 5.776 50 10 KKGE Clc1cccc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2050320533 UIGNZZVXECKFTQ-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(I)sn1 2056493873 OFIKEZHVGMNMNA-GFCCVEGCSA-N 502.997 5.312 50 10 KKGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)c1 2059829800 VWBBMTARPMVCTF-UHFFFAOYSA-N 554.672 5.190 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csc(I)c2)c1Br 2081070524 JXHCUHCJEMQXQP-ZDUSSCGKSA-N 564.906 6.979 50 10 KKGE Fc1ccsc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496376 WFGMTXAHMVECFT-SNVBAGLBSA-N 586.738 7.422 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)ccc1I 2117891843 AYDTUZOYQQADDJ-JTQLQIEISA-N 550.016 5.167 50 10 KKGE BrC[C@@H](Cc1cc(Br)ccc1Br)c1cccc(Br)c1 2118523702 BILLPTYYZKDFKR-GFCCVEGCSA-N 511.877 6.695 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C(C2CC2)C2CC2)c1Br 2141467781 CAUHQQVGTLIUQS-CQSZACIVSA-N 580.778 7.609 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 2141471353 QLDBYWIKYUBDNT-AUDJYANZSA-N 582.750 6.598 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206397816 NCBJDEPCGUUWGQ-MCUHUUPVSA-N 602.731 7.464 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)c(Cl)c1Cl 2224320447 IPVYIFDYFPIRNQ-SSDOTTSWSA-N 593.187 8.480 50 10 KKGE CC1CC(CBr)(COc2c(I)cc(I)cc2I)C1 2254138093 PVPWMRFXDQUNBE-UHFFFAOYSA-N 646.870 5.690 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)c(I)c2)c1Br 2268275147 QQUVFOXKUNSQLK-CQSZACIVSA-N 579.295 7.262 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198177 FBSUKAISYXNKLX-DEOSSOPVSA-N 522.457 6.045 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482934 CSIXFMXGCHNKNC-UHFFFAOYSA-N 554.002 5.569 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2295672255 GOIWCYRDJOJFPQ-UHFFFAOYSA-N 515.418 6.745 50 10 KKGE COc1ccc(Cl)cc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295891595 XCUNUAUAIJZJOU-UHFFFAOYSA-N 514.788 6.318 50 10 KKGE O=C(NN=Cc1c(O)c(Br)cc2ccccc12)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296647810 BDHALCNHZKBQJV-UHFFFAOYSA-N 559.376 5.137 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2297458672 RNZWEIKYBFWLKG-RUZDIDTESA-N 502.039 5.434 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(C)c1 2313566924 DOHJVKONUCHGIY-UHFFFAOYSA-N 607.492 5.833 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2ccc(I)cc2)cs1 2314489239 RAJJPNZJHGIMRA-UHFFFAOYSA-N 525.327 6.647 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591858 GHRPLILJUHNLNU-HHHXNRCGSA-N 511.647 6.076 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610514 IXTBAINTOPKQFC-OAQYLSRUSA-N 508.622 6.109 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620163 LAUOXBOQQATQMT-UHFFFAOYSA-N 543.403 5.126 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5)ccc43)cc2)cc1 2314640724 RPIIEAVTYIJTPF-JGCGQSQUSA-N 514.581 6.411 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643228 JVASRLKVOSQXNS-BHVANESWSA-N 618.705 7.938 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643315 PYIBWHQRYGLCSB-XIFFEERXSA-N 597.042 7.294 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314646582 DHVVTNWZAHJFSD-JGCGQSQUSA-N 731.230 6.697 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 2314772777 VPFBYVKZIHNWFO-UHFFFAOYSA-N 563.876 5.926 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(Cl)cc1Cl 2331044526 YBBCKSJZMFKKJH-UHFFFAOYSA-N 552.414 6.701 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cc(C)ccc5C)cs4)cc3C2=O)cc1 2331319311 DFMXNQRWLLLDCU-UHFFFAOYSA-N 521.598 6.182 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336041983 SFQRCAIWBJGFGB-FQEVSTJZSA-N 502.580 7.444 50 10 KKGE Clc1ccc(I)cc1CO[C@H]1CCCCCC[C@H]1I 2352252983 CTGMBWQEEAECJT-CABCVRRESA-N 504.577 5.988 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2358264950 FJDDDTQCGMGVBY-RWEMILLDSA-N 594.805 7.999 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 2362255713 RGNKSMQXDNXZOH-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Cl)cc2I)c1Br 2365595076 GGVQYQWOKXQKLJ-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE Fc1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2366405175 MULRVVKKOLVGHQ-LLVKDONJSA-N 505.834 7.336 50 10 KKGE Clc1cccc([C@H](CI)OCc2ccc(I)c(Br)c2)c1 2377594722 LCSXKLUMSDZVFM-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCc2c[nH]c3ccccc23)cc1CN1CCN(c2ccc(F)cc2)CC1 20615893 HZUQJLOWUZBJGY-QXUDOOCXSA-N 527.644 5.111 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 29503247 VERHXAQNGSJDGC-MOHJPFBDSA-N 539.661 5.424 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 33573926 BDTPACHQOZSPKC-RGWNAZBJSA-N 509.400 5.813 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813546 ZEYYJVHVVBOZEE-REBYGENHSA-N 509.581 6.332 50 10 KKGE I[C@H](CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1CCCO1 90560425 VUQBONULNHBRJU-CLJLJLNGSA-N 512.431 6.758 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)cc1 100233634 XZYZSZKTWIBQFN-KJTWNORHSA-N 569.496 6.098 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1 100235663 QJYPHYMPJJMJIU-WIQDYGPDSA-N 559.888 6.353 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 100425600 SIVAFSQJROMCCA-UHFFFAOYSA-N 556.295 5.240 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 100612739 SAVZZFAGUHSMIX-CLIKPKBGSA-N 540.649 6.048 50 10 KKGE CCOc1cc(/C=N\NC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1ccccc1 100869666 PMXKVXNWCXBDPJ-LQNQUEJISA-N 547.405 5.749 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 101115336 QLFLDGBFTZHXCG-QINSGFPZSA-N 555.310 5.814 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 101245857 NUIXMFUPHBGEMQ-IDJUBOEBSA-N 570.036 7.349 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101314663 GYCVHRTWEWHRAX-HHHXNRCGSA-N 526.976 6.705 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101336044 JBTOZGCNRUSTJN-MTDXEUNCSA-N 538.648 5.654 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C2=O)cc1 101340272 UFRHUOIQXFYPSO-UZWMFBFFSA-N 586.692 6.479 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379058 BFMUDVFCLIXIKD-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382824 TUTOPSOHXCNULU-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383321 WPVKDVIYPXBWCC-HKBQPEDESA-N 567.041 7.144 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103742025 POECEEMGRFZGDO-QPSWJSTDSA-N 587.326 6.499 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105063119 OHJJCVHHNMZHKB-ROPCREHHSA-N 588.274 7.862 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 109071104 GXCHKPFRDJBJID-JAIQZWGSSA-N 558.412 6.643 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccccc1I 109836294 BMIYUWUVHQBREY-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE CCCCCCCCCCCCC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 195837159 WBCAJQRDYWOKNL-GQTKJDKVSA-N 636.006 10.534 50 10 KKGE CCCCCC[Si]1(CCCCCC)O[Si](CCCCCC)(CCCCCC)O[Si](CCCCCC)(CCCCCC)O1 197363526 CFPKQTSQCUDPJR-UHFFFAOYSA-N 643.275 13.858 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 214340160 PKFWFTPCCRCRSZ-MGVXIEOLSA-N 542.639 6.682 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 214369645 SFCRHFJACJIIIR-IMRQLAEWSA-N 606.654 5.929 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214434939 KCNNZYXPHFYPEZ-QXPFVDMISA-N 616.674 5.290 50 10 KKGE CCCOc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 228999682 LSVDTGBGQOAIBE-ZDUSSCGKSA-N 503.481 7.153 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)cc1Cl 235018474 DDBXCQMGCYTCRN-CQSZACIVSA-N 550.843 6.853 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2Br)sc1Br 236068971 LCVYJKVRYODBDJ-JTQLQIEISA-N 524.297 7.173 50 10 KKGE C/C(=N\NC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@H]2[C@@H]1[C@H](C)C[C@@H]1[C@H]2CCC2=C/C(=N/NC(=O)c3cccc(Cl)c3)CC[C@@]21C 253565082 HHBZLPGKWFBREO-PAFRXQGPSA-N 619.637 8.320 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)[C@H]2COc3ccccc3O2)c1 254340431 KVTMKBMDPQCZPB-OAQYLSRUSA-N 574.225 5.029 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1OC 254749978 VQDPZBNRNOBTRB-UHFFFAOYSA-N 563.683 6.251 50 10 KKGE CC(=NNC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 254791380 IVSAOYOKGQGAQG-ZLWRCJDJSA-N 577.710 5.644 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 254855969 LSUUOMRQEOCOMK-UHFFFAOYSA-N 521.798 6.168 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254868318 DINVGVHRPAOXNO-UHFFFAOYSA-N 570.730 8.276 50 10 KKGE COc1ccc(CC[N@@+](C)(CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)CCSS(C)(=O)=O)cc1OC 256206860 WUWCBXBAYBCKCW-XDFJSJKPSA-N 593.832 5.301 50 10 KKGE in-vitro C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 257443473 IFJUINDAXYAPTO-VWSANYBYSA-N 720.734 8.524 50 10 KKGE O=C(NCCCC[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21)OCc1ccccc1 309627182 DTQJKHKDHHTIHB-SANMLTNESA-N 528.561 5.380 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627368 STDWDYDOHOANPV-PKEGUJFOSA-N 950.167 7.570 50 10 KKGE in-vitro CC(C)(C)OC(=O)NC[C@H]1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616576161 FCXQCHWLXSOOJO-XDBZFTIUSA-N 529.033 5.328 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2NC[C@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616587055 ZMQWIOMUPXWFGS-MHZLTWQESA-N 512.887 8.203 50 10 KKGE CC[C@H](Oc1ccc(Br)cc1/C=N\NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 675031408 JQMQDQYHIBNCMY-GNEVPJOISA-N 679.796 5.733 50 10 KKGE Cl[C@H](c1cc(Br)c2c(c1)CCCO2)c1cc(Br)sc1Br 709710207 YOPWWNKNNPQPEZ-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCCC[C@H]1c1ccccc1 725240298 XRADZRBVVKUYBE-URXFXBBRSA-N 521.004 6.834 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Br)o2)cc1 725390957 BHXPUEDHPIHRSL-UHFFFAOYSA-N 678.392 6.137 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1083994688 DJYIZIQVCLLTDR-UHFFFAOYSA-N 684.012 5.504 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 1084020914 XORHLQVPMNMUSW-OEAKJJBVSA-N 557.050 5.812 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084078500 BEKWLALQYVXHOI-CYBMUJFWSA-N 519.297 5.520 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084095294 FHYAOSVFLRXJGD-UHFFFAOYSA-N 546.668 5.702 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3c(C)cc(Br)cc3Br)ccc21 1084123534 XJNPXAHCWOLEEY-UHFFFAOYSA-N 543.259 6.177 50 10 KKGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 1084189902 BZSANKASDGNING-UHFFFAOYSA-N 525.271 5.568 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084278474 KNJFUEFAMDLMIX-XMMPIXPASA-N 681.321 5.694 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 1084288629 OARQCDREKNHXII-SANMLTNESA-N 594.449 5.996 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 1084378475 JHPCFGCTYMKEHG-DEOSSOPVSA-N 575.887 6.053 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1 1084384353 JPWACYBPWIMKQW-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084397170 JAPUELJUTGCNBJ-UHFFFAOYSA-N 514.050 7.039 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084435503 YEJPEQVQMNPRNT-UHFFFAOYSA-N 518.194 6.845 50 10 KKGE Cc1cccc(NCCCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)c1 1084477361 FBEPKDDXYZLLIB-UHFFFAOYSA-N 554.783 7.303 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1 1084586962 PZORYNYPCOWNJA-XMMPIXPASA-N 588.442 5.241 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(F)c1 1084596986 ASBSLONGXVLKEX-RQZCQDPDSA-N 519.787 7.309 50 10 KKGE O=C(NN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F 1565518862 KUBSGZCKEIFBRK-UHFFFAOYSA-N 506.805 6.355 50 10 KKGE CS(=O)(=O)Oc1ccc(/C(=N/NC(=O)Nc2ccc3c(c2)C(F)(F)C(F)(F)O3)c2ccc(Cl)cc2)cc1 1616046872 VBFLUYKOTAICLA-TWKHWXDSSA-N 557.909 5.330 50 10 KKGE C[C@@H](COC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C)O[Si](C)(C)C(C)(C)C 1848439633 VWKDZCZEWDHFGR-IBGZPJMESA-N 530.613 6.134 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865692023 HNAPZSPGRDFJBH-XMMPIXPASA-N 551.485 6.052 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865692631 OBUGSWRQIUEKAB-QHCPKHFHSA-N 575.866 6.201 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692929 JXXAYMIFBFCCCI-PMERELPUSA-N 512.613 6.694 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694871 DOFDVHBXRISWGQ-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865695923 ARJKRMNSSPBHOG-XMMPIXPASA-N 575.438 6.125 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865696207 CROHNIBZGNFSKB-OAQYLSRUSA-N 532.950 6.009 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCCCc1ccccc1 1865696565 HQBSWIWFGLRTPY-YTTGMZPUSA-N 568.677 7.086 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696958 LZQCPEKWABUHQX-MUUNZHRXSA-N 541.051 6.326 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865697028 UUHGLTDVEAVSJK-JOCHJYFZSA-N 546.977 6.399 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697628 YLDVYDLSMCWZKH-JOCHJYFZSA-N 557.876 5.925 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCc1ccccc1C 1865703445 VUDNBFBKDOPHCL-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708355 UXGDTFPKWQWKKT-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711577 BQTYTKKPPGLUKV-LJAQVGFWSA-N 528.587 6.535 50 10 KKGE CSCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867007286 HWVAGQQTJNJDEK-XZOQPEGZSA-N 502.105 6.064 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)cc1C 1868342176 MYYUZJGHZSORPZ-UHFFFAOYSA-N 515.683 6.507 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1OC 1868364955 JEUSYTJNOWFFHK-NOZRDPDXSA-N 539.661 6.180 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4ccccc4s3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433754 QNNBEQGGAKCLGY-QHCPKHFHSA-N 541.105 8.065 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNS(=O)(=O)c2ccc(C)cc2)n1 1872754390 QLTCUHYPXNDCFY-MNDPQUGUSA-N 510.424 5.205 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 1872756523 NSYDHOICVQLKNA-MOSHPQCFSA-N 502.892 5.555 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1csc2ccccc12 1923068775 WGZJXDKKBPSTBU-SNVBAGLBSA-N 501.490 7.626 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC23CCCC3)c1Br 1924569279 SKPZVFSKYKKSNX-POYBYMJQSA-N 507.911 7.052 50 10 KKGE Cc1cccc(C)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924585972 SHJSNPANLXIIKP-JTQLQIEISA-N 517.906 7.137 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924595231 WNMSYDDCQXIUAX-XNCJUZBTSA-N 501.487 5.283 50 10 KKGE Cl[C@@H](c1cc2c(s1)CCCCC2)c1c(Br)sc(Br)c1Br 1924602408 WXWWZWVMDJPEKQ-LBPRGKRZSA-N 519.549 7.694 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1Br 1924616036 KADBHHKGKCHLLJ-OYNCUSHFSA-N 521.938 7.298 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 2003557570 HQDHEDAQORZPJD-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CC2 2025779605 JQUVDXFZKLUEPT-ULHQUTTKSA-N 508.273 6.817 50 10 KKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1Br 2072302880 PYTGYEGUXAICEI-SECBINFHSA-N 521.898 5.816 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2C[C@@H]2C1 2085492383 KPJVNSDHTQMZJI-ICRFAPBVSA-N 522.300 7.063 50 10 KKGE Clc1cscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493804 HGZISAAPLIQPMF-VIFPVBQESA-N 603.193 7.936 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Br)c2)c1Br 2136378280 CIAQSYOZVIGDMY-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(I)c1 2138243029 NDCSNZRDKZUPAG-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467836 CRUOWOKMTJXWJI-SLAIKRIPSA-N 536.327 7.309 50 10 KKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467966 FJEIAOYFSTXABU-NEBDSWNUSA-N 540.315 6.830 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(CCl)c(C(F)(F)F)c1 2145241532 ILOBYWGAJZUZBR-UHFFFAOYSA-N 526.465 5.148 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2198737768 SLTOEMVAQQWYJW-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE CC1(C)[C@H]2C[C@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206399800 LPPRDHGPUQLTGQ-ZNWBZCOPSA-N 594.805 7.855 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(-c3cccs3)s2)c(I)c1 2207260484 GDSCIOBBNQPBRM-HNNXBMFYSA-N 540.083 7.328 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2225633391 JHAAPEVFBRFZIB-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2225933016 WXKLCPWIRMUHPO-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)s1 2233008662 JIRIKCNJTCETOS-ZDUSSCGKSA-N 506.030 6.633 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Br)ccc1Br 2255960795 QKBWWDYAVABWBX-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(F)cccc2I)c1Br 2267744093 JOMFJKCMWBMBTB-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE COC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(CF)C1 2281169018 KKRZPAAQHVCEOU-BZCBFNEHSA-N 602.756 6.937 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198229 LTZHCCLVMABVHU-QHCPKHFHSA-N 587.326 7.129 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3ccc4ccccc4c3)c2-c2ccccc2)cc1 2294168505 ONQVRAXFTWQVFH-UHFFFAOYSA-N 587.679 8.687 50 10 KKGE O=C(NC(C(=O)N1CCCCC1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 2297510121 XMWBCSCIHQKJRR-UHFFFAOYSA-N 534.596 5.812 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2c(c1)OCO2 2313568859 ZPYJPDMBJBOALS-UHFFFAOYSA-N 637.474 5.253 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 2313568955 ZOWRXHMUYDOIFO-UHFFFAOYSA-N 617.237 6.185 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2ccccc2c1 2313571571 ZIWBNARBTLKYDU-UHFFFAOYSA-N 537.830 7.933 50 10 KKGE Cc1ccc(-n2c(C)nc(I)c2I)c(CCl)c1Cl 2313878985 LSGLLSSPFSHRPD-UHFFFAOYSA-N 506.940 5.091 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314449443 QFEMFWZNSHFBTM-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314454949 KHVIYBBKGAHASV-NRFANRHFSA-N 572.078 7.425 50 10 KKGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 2314488642 LXLYPTUABXBBBT-UHFFFAOYSA-N 538.581 6.084 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 2314489138 OMTGKFHCCKVYLM-UHFFFAOYSA-N 570.026 6.660 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592723 APHDCEZYZNWDHD-AVRWGWEMSA-N 566.510 6.696 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314610164 DESHKDIZXMHQDW-UHFFFAOYSA-N 542.639 6.429 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314611460 UOSAGBLRYXWVID-UHFFFAOYSA-N 625.556 8.208 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccc(Cl)cc2I)C1 2317799335 CWRODTLNPUJMQQ-SFHVURJKSA-N 544.655 5.626 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1 2331245492 RIRPTZCQMLVEPJ-UHFFFAOYSA-N 501.402 6.111 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336057739 UUQXLGDXCWXBLS-GOSISDBHSA-N 515.072 8.014 50 10 KKGE Clc1ccc(CC[C@@H](Br)c2ccc(Br)cc2)cc1I 2337219641 VEOMRNLMXMFMRX-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(Br)s2)c1Br 2339652946 DPGGHUBDLJYGAZ-NSHDSACASA-N 533.905 6.837 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Cl)c(I)c1 2360398791 BIHAWWGNMOIZPA-LBPRGKRZSA-N 528.801 7.481 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361200883 NPZCHEGHCOJBGF-ZLGUVYLKSA-N 514.279 5.679 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(I)c(Cl)c1 2365223870 RQGIZXKXCOEETM-ZDUSSCGKSA-N 552.834 7.245 50 10 KKGE O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccc(N/N=C/C(Br)=C/c2ccccc2)cc1 3231767 MGXLIYUMFUEWQF-AEGBGJNRSA-N 552.270 6.672 50 10 KKGE COc1cc([C@]2(O)CS/C(=C(C#N)/C(O)=N/c3ccc(Cl)cc3)N2c2ccccc2)cc(OC)c1OC 3243432 JSDRROIIUKUVTG-QBGJMPKQSA-N 538.025 5.788 50 10 KKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 38608347 GRVFPQBMANIIJB-JJIBRWJFSA-N 532.637 5.506 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38660250 QZXPPYFKJMBTML-HHHXNRCGSA-N 502.542 5.841 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 40530396 GDBXUTPNSCXYMS-NDEPHWFRSA-N 508.574 6.584 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(Br)s1 100061888 UGBJJBVABUXLEX-ODCIPOBUSA-N 547.066 5.718 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100173454 BHPFANMPGREHHZ-UHFFFAOYSA-N 584.536 5.937 50 10 KKGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100236970 DULDJSJZTIJYNY-HOTGVXAUSA-N 578.301 5.872 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1 100238513 RLBVKSHCEKILTO-APTYXWLQSA-N 620.459 5.771 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 101022791 JNQHKIBLRXYVJA-OVLQGGTDSA-N 543.095 8.883 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034109 HAWLFQSMHCCJLX-RIYZIHGNSA-N 536.352 7.456 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 101194300 KNUSWDJAYOXVNH-QTCOBDOFSA-N 530.646 6.183 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241120 YWCYXIRDUPYSJJ-MIXNUDJGSA-N 538.456 5.745 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246440 FMHIJAYIAGQESL-OMBWOSJFSA-N 518.038 5.976 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367360 KLSOVECDXPVZRC-KIMVNOEWSA-N 560.606 6.120 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCC(C)C 101374308 YLVWSPXGPDJABU-JMQGSBJISA-N 532.568 5.460 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCC(C)C 101374404 ZYFMJWSZZHGMEQ-ROTAYESASA-N 556.659 6.444 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380815 FYCPRSUPHQQOTN-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382768 UHYBCGVSGXYTED-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385534 YPTORVGCRHRMSW-PMERELPUSA-N 553.014 6.673 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387203 WYLQCANEMBUDKN-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)c(C)c2cc1Cl 101394371 OSYQWHYKCUZFEO-QHCPKHFHSA-N 539.802 7.447 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101396150 AHVDSGMSZVTWOM-MHZLTWQESA-N 528.992 6.929 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2c1 101398961 OUSRFSYKKAQQQP-HKBQPEDESA-N 611.481 8.373 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603637 XNTBZVWDQOQOKC-RDRPBHBLSA-N 568.244 5.747 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 101761077 NHQMHUKECLSQMN-YBFXNURJSA-N 529.431 5.307 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCCCCC)c(OC)c2)c(OC)c1 102602841 WPOFEAUDGGSHFV-YFJQDTPYSA-N 543.620 5.385 50 10 KKGE O=C(c1ccccc1)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103749949 QNTNPOCQUCFDSA-GHVJWSGMSA-N 553.141 6.242 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462718 OJBZRVBJUUDBDR-DEOSSOPVSA-N 663.382 7.470 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 150478772 QBCPCXGIBIPLJU-QFDQHJFZSA-N 655.398 7.849 50 10 KKGE C[Si](C)(C)OCc1c(CO[Si](C)(C)C)c(CO[Si](C)(C)C)c(CO[Si](C)(C)C)c(CO[Si](C)(C)C)c1CO[Si](C)(C)C 195809075 ZPCGFDMAXYJGDX-UHFFFAOYSA-N 691.368 9.796 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 198743891 AXCHMFMCVPGPQW-PUHLOBNQSA-N 618.300 7.871 50 10 KKGE CN(C)[C@H](c1ccccc1)[C@@H]1CCC[C@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 199828534 CRDKMPRXRRQNBW-TWJOJJKGSA-N 659.495 9.666 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214359522 LRLLGGYQRSLHDA-FSGOGVSDSA-N 572.640 6.792 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 214370128 PXYQBCGHFHUHDI-JDCMOKTRSA-N 630.745 6.879 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 235816963 DGMCYDZHMYZCEK-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 254487093 QHUWDHUDNHSTQW-UHFFFAOYSA-N 532.188 5.203 50 10 KKGE CC(=NNC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 254740825 HLMIGUXIHGZYPO-UHFFFAOYSA-N 550.522 6.230 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccc(O)cc1 254748699 FHLCEZLQGRFZPS-FQEVSTJZSA-N 522.634 5.369 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)c2ccccc2)cc1 254835825 BCGHVGLRCKRUER-UHFFFAOYSA-N 529.618 5.223 50 10 KKGE CC1(C)[C@]2(C(=O)OCCOC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019979 PRVBWRYHGHBBBN-BJIFRRCJSA-N 835.886 7.444 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2I)C1 394514548 GJNYWTHBCWQQRB-NVXWUHKLSA-N 547.174 5.078 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Cl)ccc1I 405309036 SDHHDNBAVSEUON-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)c1c(O)c(-c2ccccc2)cc(O)c1-c1ccccc1 585662248 BQGNDBKIMDIJIG-HXGLXAJWSA-N 540.640 8.138 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591244 XIJUVZWMRLQMRZ-CHDHYRLHSA-N 834.994 7.822 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc2ccccc12 1083996579 IANUQUKPOCUXQD-UHFFFAOYSA-N 537.841 6.997 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083999778 JKPWKYOWIDKDFR-CIAFOILYSA-N 556.287 7.918 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1 1084105301 KFWHZWOXZUUCMK-UHFFFAOYSA-N 646.744 5.018 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 1084356240 DBZAKOZBHRWEMA-UHFFFAOYSA-N 547.662 7.400 50 10 KKGE O=C(NNc1c(F)c(F)c(F)c(F)c1F)N1C[C@@H](c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1 1088723214 ATDAWYKOVDKEOJ-AWEZNQCLSA-N 515.269 6.229 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653210 VWCAHIHIPGBMQK-PPBORXCNSA-N 560.517 6.315 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749960 SVVQPDKBOBAIHQ-OAHLLOKOSA-N 558.437 6.251 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc(Br)c1OCc1ccccc1 1772754150 REGXNKXEXJJWAS-UHFFFAOYSA-N 545.433 6.233 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1848434298 WAXZORJPNLBJCF-KRQQDEIFSA-N 516.927 9.389 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665534 VOXJHJRLIGNTTG-BMBDXGEOSA-N 644.722 9.986 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688882 DGIOOYKEDHLVSS-RUZDIDTESA-N 565.427 6.387 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689470 AEBFLCDFBQOCGZ-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689858 FFHZKGCYYDSVBW-XMMPIXPASA-N 516.523 6.056 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865690900 DRWREVWCRIVCQF-HSZRJFAPSA-N 561.004 6.789 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696695 JATQQGRDFLNKHZ-SANMLTNESA-N 577.468 6.869 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697060 VXZGWOPRHXGDTL-IBGZPJMESA-N 530.220 5.274 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700914 HOSOUPLSWGRKLK-AREMUKBSSA-N 551.861 6.997 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703569 BMUHYXCZANMZCH-QHCPKHFHSA-N 512.953 5.177 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707050 MPSSCBUIJAOWNK-MUUNZHRXSA-N 507.613 5.878 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708223 QZBDQWKHPRSBJQ-MHZLTWQESA-N 522.605 5.459 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 1865714697 NTBOHLXTALZGQF-MRXNPFEDSA-N 509.713 5.584 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866634295 FNOUTXCGMYCBHY-NRFANRHFSA-N 579.704 5.451 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1866995489 JYVCIUWBHBRSEG-SVBPBHIXSA-N 536.072 6.692 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CCS2)cc1 1868454943 XDVNELWCCUBLML-RUZDIDTESA-N 529.666 6.903 50 10 KKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1OC 1868545374 XNFLZTMOUINKOZ-UHFFFAOYSA-N 525.678 7.543 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CCS2)cc1 1868545502 YDZTWFRARJEZJG-NDEPHWFRSA-N 567.784 8.061 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749840 KDPOWCPPLFJPSI-SBIXNHRYSA-N 501.608 6.102 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758152 NINQNQSHOKUWKI-UYPHOHSBSA-N 502.042 5.736 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1OCCC 1872818256 UEFINAVXIRHCOB-BYRZPHPYSA-N 504.608 6.665 50 10 KKGE C[C@H](C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924568191 CPBPPYMYHKICJP-GMSGAONNSA-N 523.954 7.688 50 10 KKGE CCOC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924589783 FBMRFDRMHLRYMM-KAVNDROISA-N 525.926 6.677 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3ccccc3s2)c1Br 1924599446 HRFOKRUBBQVUKW-SNVBAGLBSA-N 545.941 7.735 50 10 KKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)sc1Br 2026222020 SMRWKRZRBKNOGA-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cl[C@@H](C[C@H]1CC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2086422858 YMDUOYRBMUMALM-RCOVLWMOSA-N 522.300 7.207 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141471224 PBQRGYJNSWAQPD-UHNVWZDZSA-N 596.699 7.761 50 10 KKGE COC1(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141476793 HEOPDBXAWSUZPY-VIFPVBQESA-N 540.315 6.976 50 10 KKGE Clc1cc(Oc2c(CBr)ccc(Br)c2Cl)c(Cl)cc1Br 2154375963 NYZQKYXYMZZUGI-UHFFFAOYSA-N 524.261 7.859 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172559624 JERWXXHUJRERAJ-PWCHPLFNSA-N 501.465 6.734 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2csc(I)c2)c(Cl)c1Cl 2217613461 OZGPANYMXGWRKQ-VIFPVBQESA-N 516.840 7.404 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)s1 2233010037 RGURSRIICIENLQ-ZDUSSCGKSA-N 550.481 6.742 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)ccc1Br 2246464926 IBNKPGNIGPRCGK-SECBINFHSA-N 524.297 7.173 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1I 2269542874 LPRXCJNBFLFLBF-CQSZACIVSA-N 563.398 5.995 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277959988 DFIJQGDDALJJGI-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 2295459678 MPZGLPTYDLRZCT-UHFFFAOYSA-N 522.311 5.131 50 10 KKGE CCOC(O)=C(C#N)[C@@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313506106 YGRHOGUIPLPHJO-RPWUZVMVSA-O 523.407 5.038 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570967 KINXMVNXZWYQNL-UHFFFAOYSA-N 599.255 7.876 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592464 UNRYRXLEJRSJGQ-RUZDIDTESA-N 535.591 6.641 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593929 WAYXTLUPEJHMNR-RXFWQSSRSA-N 516.066 6.261 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314617064 QDDXYUPJUWROQL-QHCPKHFHSA-N 609.752 5.495 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314617226 UAJRVNLFVMQQBW-UHFFFAOYSA-N 608.673 7.092 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314618643 QUJYVZDKNXVJGQ-LJAQVGFWSA-N 588.639 6.029 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)sn1 2317405059 WXVVSGLNJOFSGE-SECBINFHSA-N 522.857 6.362 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1OCc1ccccc1 2317422196 HRBNQQQCKIMWFH-QGZVFWFLSA-N 549.097 7.784 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331342957 IGJPBIJQKFBHBR-HHHXNRCGSA-N 519.626 6.634 50 10 KKGE Cc1nc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335356165 NVACRXRHWPNAGO-MRVPVSSYSA-N 512.851 6.907 50 10 KKGE Cc1cc(C)c([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2364064440 RPQSYJUPWKTWRX-NSHDSACASA-N 529.896 6.117 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2scc(Br)c2Cl)c1Br 2365196238 KINVNHHEPRMSKJ-JTQLQIEISA-N 568.350 7.490 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790761 ROCFEKBJOUIQPN-SCIJIFGBSA-N 556.844 6.307 50 10 KKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518178 NLOFZXWTMZNAQB-XNTDXEJSSA-N 501.907 6.802 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38658252 BASSCBCAWKNUFD-ACSYHNTCSA-N 510.590 5.966 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 38679535 MRRSMYJGZCQUDP-JOCHJYFZSA-N 501.753 5.849 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38682570 PNSMSMPOHOMNSN-CLYVBNDRSA-N 500.620 6.123 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38683083 LFZVSQQDOORUMQ-AFJIDDCJSA-N 512.606 6.019 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684115 IJVFKUDNHRAEAB-MHZLTWQESA-N 500.551 5.176 50 10 KKGE Cc1ccc2cccc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])c2n1 40626812 HKHSVFOFUPOCFP-UHFFFAOYSA-N 505.538 5.260 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813472 ANAIBQKGKJIMGN-WPWMEQJKSA-N 501.326 5.526 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 59304420 DQRKJSKOCOELMC-WCMJOSRZSA-N 523.416 7.210 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(NP(=O)(/C=C(/Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1 97984188 YOZBKOHEDWOGML-OPGZUOKTSA-N 537.383 8.321 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100173394 RUPROSOPTAEIIW-UHFFFAOYSA-N 629.415 6.009 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 100232084 QKTLGASZHMSDDW-QGFINPQDSA-N 561.476 6.544 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C[C@@H](C)O1 101013816 VERWNHHSYSJYHR-FCBRYHHASA-N 578.698 5.288 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101033223 BGSNBUPFANGKAL-HAVVHWLPSA-N 579.081 7.644 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101293381 KOCNRWGLWVZXSN-JGCGQSQUSA-N 595.051 6.930 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337766 QBWDWEPOAWJSJA-UUXIJQDSSA-N 514.585 5.901 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Br 101338496 DWJNAMCTGPFQRC-OEAKJJBVSA-N 557.448 5.845 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101340153 OEUAZYUWERWSHU-MTDXEUNCSA-N 603.635 5.690 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101367762 YUOGVJISZIXOGH-HHHXNRCGSA-N 583.468 7.017 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)c1 101368692 VRKWZXXEZHNTAP-HHHXNRCGSA-N 530.577 5.329 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384717 ZCNLZZZCCDWZBQ-AREMUKBSSA-N 533.367 6.603 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389386 XYVBYMKCYOEPJB-SNSVSFJOSA-N 576.624 6.949 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)oc2ccc(F)cc12 101391363 JTZKMYPORXTCPQ-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101393356 XJMIXJLPSCYHHR-HHHXNRCGSA-N 583.468 6.873 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396561 KXCLDKDVFUXQLY-MUUNZHRXSA-N 587.470 7.510 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(Cl)cc6c5C)ccc43)cc2)cc1 101397476 IEQVNHYPHQOWPH-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)CC1 101399695 YBWBUAITYGVJJQ-PLJRAKPVSA-N 594.752 8.093 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(CC)cc1Br 101751336 VQFWSZLBFWXGPH-UDWIEESQSA-N 553.409 5.211 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 150497515 JYPAXQBTWFYHMD-PPFNPFNJSA-N 650.735 6.970 50 10 KKGE O=C(NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(/N=N\c3ccccc3)cc1)C2=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N\c4ccccc4)cc2)C3=O)c1 150551487 IJBNQUDDOYFVOW-XXMGNTHJSA-N 900.868 8.268 50 10 KKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206303796 UZIRMHJCEJNBNL-PIKZJMIRSA-N 513.546 5.290 50 10 KKGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC 206957742 JSKIWFRHSLTIRQ-NLSZJBPJSA-N 500.551 5.309 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](CC)C2 209407637 MHFAQBVPKBCSLQ-QKYYUXOMSA-N 544.673 6.573 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)/C=C\c2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 210606626 VDXRUHUWIKTVDM-NNRZVWGZSA-N 502.551 6.599 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214257962 DSXJEUAJVKLAAB-MKRQMZSSSA-N 522.649 6.417 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214292107 NWJWHOQRUXQTTR-FSGOGVSDSA-N 576.628 5.886 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 214315671 ZTANATDUGXYXRQ-QRQIAZFYSA-N 530.584 5.798 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 234979812 BKCDHQSIVFWNJV-CQSZACIVSA-N 516.398 6.153 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Br 236066214 RVKWMPRUAIHIGU-JTQLQIEISA-N 524.297 7.173 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(OC)cc3)cc2)cc1 252618386 LFSQXMFUWDIJMO-PMERELPUSA-N 539.035 6.477 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(OCc2ccccc2)cc1 254291688 ZTSRLNDVGHHSBL-UHFFFAOYSA-N 556.738 6.805 50 10 KKGE Cc1noc(C)c1CSCC(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254399099 QNFXLTYIBOJXGI-UHFFFAOYSA-N 505.518 5.154 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2OC)cc1 254853195 FKPWNQGFXIFNIO-UHFFFAOYSA-N 587.654 5.268 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)c2C)cc1 254869772 JKNDLZFLEBYNIB-SZPZYZBQSA-N 530.669 5.425 50 10 KKGE O=C(NN=Cc1ccc(-n2ccnc2)cc1)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 254870655 AXPPFTPQTQOOAD-UHFFFAOYSA-N 549.656 5.027 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019777 DGAALRJHQZSLAK-WBYFRWOPSA-N 883.930 8.869 50 10 KKGE CC(C)(CBr)COc1c(I)cc(Cl)cc1I 380655998 SZUFYPHVCJILAG-UHFFFAOYSA-N 529.381 5.349 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 504096873 YYCIOXJPTWKWAF-XEJMAOHLSA-N 532.838 7.615 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)c5cccnc5)CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1cccnc1 504217405 DKNFYEFBCLXZNI-SUVKZDKYSA-N 512.654 5.751 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 1083904712 OCXDMQSXFUHCHB-UHFFFAOYSA-N 589.559 7.122 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 1083922635 PZSADLNMQRAISU-UHFFFAOYSA-N 575.996 5.960 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1083997320 QSCBNHYJVQKJAB-UHFFFAOYSA-N 623.285 6.194 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084005481 LNJWKALKVNXSCI-UHFFFAOYSA-N 525.140 5.129 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(I)cc1 1084300344 MPHYZHSWFMZIAZ-HZHRSRAPSA-N 564.423 6.461 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084334425 JTIHCOIMXLMFOH-UHFFFAOYSA-N 686.506 7.317 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)cc1 1084357428 BRRQCSBNOUFQJA-QGZVFWFLSA-N 504.881 6.449 50 10 KKGE Cc1c(Br)c(C=NNC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(Br)cc1 1084464299 NMPVSLCWYFIUKG-UHFFFAOYSA-N 548.279 5.214 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)C1 1554268772 HGMRIEWTIMRADC-NHNPKLJZSA-N 579.751 6.880 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 1772752466 RMTZREIBRWQQAT-UHFFFAOYSA-N 610.980 7.262 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865690250 MQQBZXDXCYZNNW-AREMUKBSSA-N 511.025 6.980 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865694922 FRWHNRVGKKQJNV-MUUNZHRXSA-N 536.632 6.083 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701218 PDRJUKIEXXWPTC-AREMUKBSSA-N 565.888 7.251 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865704736 CTHANHKVPFURKN-IBGZPJMESA-N 567.351 6.065 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712168 RFBRCKOCKGJPKY-MGBGTMOVSA-N 568.677 7.119 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)sc1C 1868432941 BRQFIDKGUQSRHF-UHFFFAOYSA-N 533.126 7.571 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)c(OCC)c1 1872755223 DJKUCYBVLMWCSO-DBOIZRAYSA-N 506.580 6.047 50 10 KKGE O=S(=O)(c1ccc(Br)cc1Cl)N(Cc1ccccc1)C1(CBr)CCC1 1915756067 UTFMWQSCNIVNMU-UHFFFAOYSA-N 507.675 5.611 50 10 KKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(I)c1 1922939991 JSGXFVKBZRUBPN-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE CC1(C)CO[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615083 WEWUNMAXOLERNL-RNFRBKRXSA-N 525.926 6.677 50 10 KKGE FC(F)(F)CCC[C@@H](Br)c1c(Br)sc(Br)c1Br 2022698570 MGBUXDZRLVFWAP-SCSAIBSYSA-N 523.832 7.204 50 10 KKGE C[C@H]1C(CSc2ccc(O)cc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12 2037697981 NRRUZQJSVJKEKY-PTODGXCASA-N 598.794 6.277 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2sc(Br)cc2Br)c1Br 2072303623 AGYZTTIEPBFHLN-SECBINFHSA-N 521.898 5.816 50 10 KKGE CCCC[C@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496805 STKQNMUYANAGLY-WPPNPWJKSA-N 526.332 7.843 50 10 KKGE CCc1nc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Br)s1 2138872903 VIHSCGTUTUUDCV-NSHDSACASA-N 532.921 6.786 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Br)cc1Br 2148686735 ZQEZNRHQLNHXFA-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE C[C@@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206406277 XOYFSCVDDDUSDB-GZMMTYOYSA-N 554.386 8.479 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1Br 2218964246 GHTDYOCIDVXVHE-MRVPVSSYSA-N 558.380 7.805 50 10 KKGE Clc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c(Cl)c1Cl 2232511432 KHAQFRGYUWVTJC-SECBINFHSA-N 522.289 7.851 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)c(F)c1Br 2236107064 FVTUTNFPSLJDSR-NSHDSACASA-N 584.793 6.718 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc([C@@H]2CCOC2)s1 2240427925 XMKWKVZXNSYAKE-RFAUZJTJSA-N 528.047 6.103 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)sc1Br 2258094414 GLNWRBJMTSFCRO-NSHDSACASA-N 521.869 6.967 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc2c(cc1Br)OCCO2 2279288218 PHOSNZZNNKUMEC-LLVKDONJSA-N 503.437 6.182 50 10 KKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293189750 BFEYAGMUGFPWQN-UHFFFAOYSA-N 525.373 6.755 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293198172 CCOWGSVXXGLQRJ-QHCPKHFHSA-N 508.430 5.736 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21 2296547667 YPPXRKUPXBGJPP-UHFFFAOYSA-N 534.645 5.275 50 10 KKGE COc1ccc([N+](=O)[O-])cc1C=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296939507 NGJVAQCTEVRWOS-UHFFFAOYSA-N 510.325 5.660 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(Cl)cc1Cl 2313556888 NXOBBJONILDQDN-UHFFFAOYSA-N 574.508 7.447 50 10 KKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313623907 HTBWPCDZZXCJFT-UHFFFAOYSA-N 510.844 6.390 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592619 YRIXGFOGJQELSQ-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593175 IQXOYWGRYYEBAS-RUZDIDTESA-N 502.039 6.528 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593749 SEXJYDGCBZHKEU-JHOBJCJYSA-N 553.728 6.732 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617863 CAVQONHQKZZYKJ-UHFFFAOYSA-N 533.411 6.373 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314618224 JPZDUCZVQWMNAN-UHFFFAOYSA-N 524.621 5.345 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 2314618230 JRUBYVGBXTXXQU-UHFFFAOYSA-N 578.072 6.559 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314620524 PTQGDFHGVDRGMP-UHFFFAOYSA-N 577.084 7.020 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csc(I)c1 2317423809 QKNORQKXJFHLOR-NSHDSACASA-N 524.418 6.653 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331351129 SSIYALQUUNMVGT-UHFFFAOYSA-N 520.611 5.811 50 10 KKGE Cc1nc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337087801 DFHOPYAEFSOXAG-QMMMGPOBSA-N 512.851 6.860 50 10 KKGE Clc1ccc(I)cc1COc1ccc(CBr)cc1Br 2352351314 UFBQEFNWXHHCJR-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361204888 IJQATIHBTOAEIG-QYEYTSMBSA-N 506.156 6.574 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(F)cc1I 2365188712 NPHOBIMQBYKCFJ-CYBMUJFWSA-N 536.379 6.731 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38650767 TWVUHLBDZJVYDI-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 40547511 UJTTZYDSCKRYAT-NRFANRHFSA-N 512.305 5.348 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826491 NFQQRDHSGLJACL-FEZSWGLMSA-N 505.530 5.522 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 40890850 PLGDDHDEUMWTBW-LFVJCYFKSA-N 522.557 5.414 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(Cc2cccs2)C(=O)CCl)ccc1OC(C)C 97914867 VOFCQMGZDSESET-VWLOTQADSA-N 507.096 5.692 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)C(c1ccccc1)c1ccccc1 100061484 NMCINOJCADJJIC-UHFFFAOYSA-N 568.265 5.723 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccc(OCc2ccccc2)c1 100061914 DGSAOKZFROIXFN-WKULSOCRSA-N 568.265 6.473 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100154455 WHMMSVOMNFGQOJ-UHFFFAOYSA-N 615.388 5.584 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br 100172542 BSVSHMRDUJZSTJ-UHFFFAOYSA-N 545.215 5.088 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100225408 NONOVALVRIDYCD-WCMJOSRZSA-N 523.467 6.722 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]2Br 100921670 RPSHGTUVSBAKTO-RLCCDNCMSA-N 582.480 6.983 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101307128 VOASGPAGRZPNKS-JGCGQSQUSA-N 544.607 6.216 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101370719 SGXKFHBAORMYOC-NDEPHWFRSA-N 534.996 5.648 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380157 XGMUDBSIHSFXIH-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380975 JBTIKFHJGIZTQU-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382616 ILEIAMBEJHCHLQ-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc(OC)c1OC 101383265 IYCIHOGFKCBJNV-SSEXGKCCSA-N 599.039 6.382 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387407 ILLYFKBRWPOIPK-SSEXGKCCSA-N 587.459 7.327 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101389039 APRBLOJDWUNUMF-CGKQSPDFSA-N 598.602 6.534 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c(OC)c1 101610011 BFRGHKVJEBENRC-YQCHCMBFSA-N 537.616 5.846 50 10 KKGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 101713581 JICRWGMCUGYQTD-LGJNPRDNSA-N 532.232 5.628 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101727354 SDWPGKXPSJATDA-XODNFHPESA-N 572.937 7.047 50 10 KKGE CCOC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(SC#N)c1C 103926062 IOSAXMZUDGHYSD-UHFFFAOYSA-N 536.056 5.513 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1 161095895 ACWKKJNWLCRQMJ-CQSZACIVSA-N 513.849 6.467 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)[C@@H]1OB(c2ccc(B3Oc4ccccc4[C@@H](P(=O)(c4ccccc4)c4ccccc4)O3)cc2)Oc2ccccc21 195786536 FOMOARGIJBIDAN-PIYFIQLCSA-N 742.322 7.321 50 10 KKGE CCCCCCCC[C@H](I)CCCCCCCCCO[C@@H](CC(=O)O)C[N+](C)(C)C 199668031 MGXTULRRIAGWSC-ZEQRLZLVSA-O 540.591 7.228 50 10 KKGE CO[C@]1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC 203209602 RSCYVRLLTJPYTP-YFRBGRBWSA-N 572.622 5.761 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214346194 PDVSYQOHIYOAQM-OFWBYEQRSA-N 556.666 6.472 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 214409503 NDVFZDHSBUVLHD-FSGOGVSDSA-N 623.710 5.501 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214409928 TWSPETNVFCKXEZ-LQNQUEJISA-N 560.629 6.567 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Cl)c(Br)s2)ccc1I 232344711 VDXZNMNBWZWQDM-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nnc(CNc2ccccc2C)n1-c1ccccc1 252620654 MIVMNLALIYSONE-LJQANCHMSA-N 579.524 5.590 50 10 KKGE CCCCCCCCOc1ccc(-c2ccc(C(C)=NNC(=O)c3ccc(C(F)(F)F)o3)cc2)cc1 254296628 ZKLCTRUJXBNQBE-UHFFFAOYSA-N 500.561 7.859 50 10 KKGE COc1cc(C(=O)NN=Cc2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 254397975 GDWPBLMMQZYVAW-UHFFFAOYSA-N 519.432 5.196 50 10 KKGE CC(C)CN(CC(C)C)CN1C(=O)C(=NNC(=O)c2ccc(Cl)cc2Cl)c2cc(Br)ccc21 254818159 FEFGJEICBQDFIK-UHFFFAOYSA-N 554.316 5.808 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(SC)cc2)cc1 254843610 DHQABZOBBQOZSR-UHFFFAOYSA-N 583.735 6.459 50 10 KKGE CC(C)(C)[Si](Oc1ccc([C@@H]2[C@@H](CC[C@@H](O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)(c1ccccc1)c1ccccc1 256073830 MUXDGYNFNRDXRZ-UJTUJTOWSA-N 647.838 8.122 50 10 KKGE Brc1cc([C@@H](Br)c2ccccc2I)cc2c1OCCC2 689545132 VCLXGLZBDGCVOR-OAHLLOKOSA-N 507.991 5.863 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(C)c1Br 719535600 KHBYYZNTRQCYFW-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE O=C(OCc1ccccc1)N1CCCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725237548 JTWZRIGFGFCUAB-RUZDIDTESA-N 594.055 5.951 50 10 KKGE O=C(NCC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)OCc1ccccc1 725238452 JBBRVUONHMOZCV-SANMLTNESA-N 608.082 6.245 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1ccco1 725381114 MTNXTFLGWPKUBB-YVLHZVERSA-N 516.189 5.607 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725407840 FOSCFZOBQZSBMV-YIIWZEITSA-N 525.674 6.073 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 725439057 OCRMXJCVCDQHRW-NRFANRHFSA-N 501.366 5.265 50 10 KKGE CCCCCCC[C@H]1CC[C@](c2cc(-c3ccc(F)cc3)c(N(C)S(C)(=O)=O)nc2C(C)C)(C(C)(C)C)OO1 1082551737 JJTOVZQTDFDOMK-FKAPRUDGSA-N 562.792 8.119 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)cc1 1083988383 MTDRINPPXYDQFN-VWLOTQADSA-N 634.365 6.552 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2ccccc2c1 1084247231 ADTGYDSTOORJKZ-UHFFFAOYSA-N 576.390 6.542 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084324325 GYTFUXJUMQYAPM-UHFFFAOYSA-N 511.516 5.178 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc2ccccc12 1084409267 OABBTRAWCDFWIM-HMAPJEAMSA-N 560.391 6.578 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1 1084494945 QZZIHFWBXTXXMM-UHFFFAOYSA-N 563.404 5.974 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2F)cc1 1084576166 YNWXWKPUPXVOMH-UHFFFAOYSA-N 597.510 5.650 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1084611795 OWXRLKIWLNESRT-UHFFFAOYSA-N 589.386 5.340 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084627233 YMROSBYQAMYBCO-ZDLGFXPLSA-N 535.349 7.536 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 1614653112 INSFIMUXLILDJM-OJZQIWFTSA-N 551.756 7.456 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746855 HZMRMYIYMOWVOH-UHFFFAOYSA-N 512.009 6.940 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748662 SGIAZDTVMGJPPT-UHFFFAOYSA-N 533.799 5.093 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)cc(Br)c1OCc1ccccc1 1772753946 IXYHXBMZPATVTM-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OC 1772755985 WWBIMIITLGJIPR-UHFFFAOYSA-N 528.241 5.055 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 1772756054 YBXXCVPWBMKRCN-UHFFFAOYSA-N 519.480 6.289 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)N=[N+]=[N-] 1848357765 KQJXHZRKNUECLZ-HEJDMXBZSA-N 601.902 6.130 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865691735 ZSEDOZNTTGVMIT-MRXNPFEDSA-N 529.357 5.387 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCCCc1ccccc1 1865697597 XPGUULZPVSIVHI-LJAQVGFWSA-N 541.051 6.132 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704097 NCUPIFRKFSZGPN-XIFFEERXSA-N 534.619 7.284 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704907 HNWCCHDSABZUMJ-XMMPIXPASA-N 541.405 5.635 50 10 KKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711673 FHVVBNZSRXLRRV-SSEXGKCCSA-N 534.660 6.622 50 10 KKGE N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1866129866 PZUHVMCVOKYOTC-CXUHLZMHSA-N 504.775 6.335 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867209753 CQCWCYWKQDNDNJ-URLMMPGGSA-N 583.685 6.304 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867221165 NYPYNZDGBIBUNU-FTJBHMTQSA-N 549.668 6.252 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4nnc(-c5ccc(Cl)cc5)o4)CC3)nc(-c3ccccc3)n2)cc1 1868364639 BZEZPWBYLRKCBG-UHFFFAOYSA-N 567.078 6.490 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)n2)cc1 1868545370 XKPWWSDMSWICLO-MUUNZHRXSA-N 560.727 6.704 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4c(Cl)ccc(Cl)c4Cl)c(OC)c3)nc(O)c2cc1OC 1872727665 READWKDGMXODFP-OVCLIPMQSA-N 572.832 6.965 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)nc2c1 1872728592 KQIBBVXKNBJSMB-YBFXNURJSA-N 546.377 5.536 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)\c2ccccc2)cc1 1872743661 GCLJJWMLRCIGSO-IIGUQOQPSA-N 512.634 8.519 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872745007 SRBSNLLQWBHWDK-BOLJVCIBSA-N 512.462 7.087 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCc1ccc(C)cc1 1872793420 ZCDJFYJZUMZEDG-AFUMVMLFSA-N 524.686 8.211 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ncsc2Br)c1Br 1922911552 DLKWWUAAIXBAKA-RXMQYKEDSA-N 510.896 6.285 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1sc(Br)cc1Br 1922946720 URTUJCIIOVIHLW-NSHDSACASA-N 519.878 6.529 50 10 KKGE Fc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1982837459 NPQZNXODAJMOIV-LURJTMIESA-N 513.871 6.721 50 10 KKGE C[C@H]([C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C 2070218155 XQYLJEMUWJOIKN-SVKTYLPZSA-N 651.039 8.391 50 10 KKGE FC1(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085500136 MSDWVVPXJCYRBQ-MRVPVSSYSA-N 528.279 7.299 50 10 KKGE Cc1cc(Oc2c(I)cc(Cl)cc2I)ncc1CBr 2095580475 XGKRNTXLZLEMDG-UHFFFAOYSA-N 564.386 5.940 50 10 KKGE C[C@@H]1OCCO[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469493 VOIDXOQLAXOEIB-LVRCTXOYSA-N 542.287 5.820 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1Cl 2206394299 GADIYMLUUNCUDT-MRVPVSSYSA-N 591.150 7.105 50 10 KKGE CC(C)(C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2206396096 SETKRPBNUXZSFM-ZETCQYMHSA-N 566.275 7.995 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)cc1I 2232833476 NETADRPHIYQVLU-LBPRGKRZSA-N 519.924 6.264 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)s1 2233014009 NJTYJVNWUSYOBD-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(I)ccc1Br 2239646690 NEBYJYWXMSWLIA-UHFFFAOYSA-N 529.397 5.854 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1Cl 2283564238 WQBMFWMPEZHYAN-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2283581417 HJZCEQKSYSFZJD-ZDUSSCGKSA-N 550.481 6.789 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)ccc1I 2288346561 KIZPOBBECBCQPF-GFCCVEGCSA-N 556.797 7.076 50 10 KKGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1 2293308250 TZAHICNSZWGOQL-WOJBJXKFSA-N 576.310 5.578 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2295483078 YQJYZQUTXPVVBR-UHFFFAOYSA-N 639.577 5.344 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1 2313518547 INOKKJUECWWERO-UHFFFAOYSA-N 603.254 6.495 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 2313518912 ZFPTXFJVQFMZGY-UHFFFAOYSA-N 589.227 6.187 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc2ccccc12 2313571321 SIDXVRCGPLRUTI-UHFFFAOYSA-N 557.477 8.398 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313675795 SXWPRWQARXDOBY-UHFFFAOYSA-N 519.292 6.732 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1 2314532796 MDQOOOQKEITBEX-UHFFFAOYSA-N 543.421 6.092 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 2314532836 MYCLIHNBKNQIPA-UHFFFAOYSA-N 521.758 5.448 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592025 KDLYIQDHXDRIJS-DEOSSOPVSA-N 536.484 6.929 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592264 PFWPIUJKVWIKSJ-MUUNZHRXSA-N 509.675 6.800 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314617433 YFQVWIPWHJMJOD-UHFFFAOYSA-N 541.051 6.516 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314618333 LOCCJQZVSNNREU-MHZLTWQESA-N 584.720 7.626 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(CC)cc1Br 2314770743 XGAJOORVRQBGRU-UHFFFAOYSA-N 581.463 5.991 50 10 KKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927222 FKUWVCQLZKQWIE-MUDKDPIVSA-N 523.910 6.287 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 2331320216 LMJURZHQUFFAQR-SANMLTNESA-N 505.599 6.127 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 2331385094 DGPNAIBCLGNARX-UHFFFAOYSA-N 516.579 5.984 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464395 JRIATTQNIYCLTI-UHFFFAOYSA-N 521.041 8.899 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OC(=O)c1ccccc1 2331491814 OODSEFARMILGEK-UHFFFAOYSA-N 502.979 6.764 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c1Br 2338719094 DTFLPWRWCUASGR-SECBINFHSA-N 580.738 6.263 50 10 KKGE CN(CC[C@H](Br)c1cccs1)c1ncc(I)cc1Br 2340490954 UWCJVEOZUFOPBH-JTQLQIEISA-N 516.040 5.473 50 10 KKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362249362 XLJGSDVCAITRJQ-NSHDSACASA-N 501.406 7.512 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)ccc1I 2365188448 LGZHIBSBFVOCMA-CYBMUJFWSA-N 552.834 7.245 50 10 KKGE CCc1nc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2365229651 BVKUFJRFUFCYNO-SNVBAGLBSA-N 506.460 6.769 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(I)c1 2365597799 KLTNQGVLZSSYHV-CQSZACIVSA-N 528.409 6.126 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2553724 IPPYISMAWLOZAD-BKUYFWCQSA-N 520.441 7.165 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1Cl 35447437 WKQXVWVMOVEJJM-XLNRJJMWSA-N 503.046 6.727 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38684669 DSSYMHISCDVQDW-MUUNZHRXSA-N 518.997 5.967 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(F)c1 38700475 LAVXKNXLBSDPFO-NRFANRHFSA-N 511.361 6.785 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 40006653 YLRFJDJZHMTJNC-DEDYPNTBSA-N 511.405 6.915 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccccc1C 40888727 NRNSCVYYXPTJMC-CCVNUDIWSA-N 511.416 5.491 50 10 KKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c1 40944705 GZLPPQJSOGEORL-XMHGGMMESA-N 514.416 5.981 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1c(F)c(F)c(F)c(F)c1F 96438667 GOHOVXQAMHPJQH-AYCSXLNKSA-N 502.439 5.754 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 100236314 GVKQGFCUQALYHA-PCYMAAINSA-N 563.851 6.183 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101335997 AFLSPDZYODCXIB-AJBULDERSA-N 607.110 6.791 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101368302 WXPZYFMXFKHQLD-HHHXNRCGSA-N 553.442 6.864 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101375321 ARCPUKQZXVXRDX-YTTGMZPUSA-N 572.658 6.256 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 101377852 HKBCMSIGEFCBJB-SSEXGKCCSA-N 572.658 6.499 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc(C)c1Cl 101380434 GSPNCUZJBXKBLX-HKBQPEDESA-N 585.031 6.878 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380507 QENGHIDSXZNWBT-MGBGTMOVSA-N 564.613 6.731 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 101385584 CZPXNLYGKUEHKL-LJAQVGFWSA-N 617.883 7.127 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386242 LUJSYJOHBSBJED-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101389011 DJOUINZNQWZXFT-DHUJRADRSA-N 622.693 7.810 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389567 FGWSCWJNFHGABB-MGBGTMOVSA-N 615.057 6.968 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390121 CWSITFUHXIGYON-HSZRJFAPSA-N 549.479 7.943 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)oc2ccc(Br)cc12 101391605 GISXOUWGVIQWQT-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101397786 ZQZWANHQKSTUOW-SSEXGKCCSA-N 619.476 7.938 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101398731 BMIFVEAJSRUABC-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101612210 YUPPWABHEIWHJO-NDZAJKAJSA-N 544.391 5.169 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 102847205 ZNLHVQHXFJFAPQ-VLGSPTGOSA-N 567.671 5.369 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C(=O)OCC)cc3)N(c3ccccc3)C2=O)cc1 102973441 DKCPZYKAAGGIEI-VOUPIIBTSA-N 569.639 5.105 50 10 KKGE O=[N+]([O-])c1cccc(/N=N/N(c2cccc([N+](=O)[O-])c2)[C@H](Br)C(Br)Br)c1 103750133 STGYDHWAXBZDQE-HLAUDOPJSA-N 551.977 5.845 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 103880060 SKWBSCSHMXWODJ-BKATUZMVSA-N 613.161 8.857 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103929152 MZZTUBVZYLAAML-DPNNOFEESA-N 582.686 5.652 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118920943 HQCIIKWOMRRRPN-FIILXQAHSA-N 521.624 8.723 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430721 IYTDTPNCSYWIEM-SSEXGKCCSA-N 643.548 8.623 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485751 QWUXIQVDTHDEAP-YTTGMZPUSA-N 665.957 8.054 50 10 KKGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 214373500 YHTOVEPVGXVKOV-ULJHMMPZSA-N 532.637 5.506 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214388602 PGFNGKRJEYWBAM-MWLSYYOVSA-N 586.648 6.156 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 234912466 ARVTVNSYBULYCE-CQSZACIVSA-N 531.839 6.606 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)C(F)(F)F)cc3)c3cccc(Cl)c3n2)cc1 254294680 RHBPWXCPYQBWAW-UHFFFAOYSA-N 538.957 6.772 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 254401168 BSUDWGCFMSTZPT-UHFFFAOYSA-N 530.650 5.206 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 504791572 LKHIBBPOJARUFY-NSQCALLNSA-N 968.182 6.765 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2NC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616692776 ZMQWIOMUPXWFGS-HHHXNRCGSA-N 512.887 8.203 50 10 KKGE O=C(CCl)N(c1ccc(Oc2ccccc2)cc1)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1cccs1 725238509 KLGFQECNLJJCNQ-RUZDIDTESA-N 559.084 6.112 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F 725399400 DCFAXLOFVHCIQO-UHFFFAOYSA-N 603.066 6.108 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Cl)c3)c2C)c1 725431144 WAANNPFUZCPJOD-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1082441984 MHDCGSAUDKZQPU-OQFOIZHKSA-N 553.192 6.871 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 1082990302 GJWFFYVLNIVRHJ-ULKGTZSUSA-N 583.280 5.698 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 1083961866 ZGPPWAUROSJAMO-UHFFFAOYSA-N 543.476 5.470 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084169177 WAPXUQHLPHUJQC-UHFFFAOYSA-N 516.370 5.351 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084222467 FYDHCERGZJXUJA-HHHXNRCGSA-N 585.926 6.773 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084241790 MWEXNKGSIVYRCJ-MENXEMIHSA-N 552.722 7.225 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 1084362551 CRLBSZOGDAMXFV-UHFFFAOYSA-N 568.718 6.634 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 1084410869 GHDDAMSOOGADEY-UHFFFAOYSA-N 667.818 9.518 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084471210 RGQMRHZDXWFNKQ-QHCPKHFHSA-N 511.962 5.190 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1I 1084492001 BREXSIFBXLMBQC-UHFFFAOYSA-N 545.380 5.588 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1OC 1084494350 VLCQSUGPNSAPHQ-UHFFFAOYSA-N 588.730 5.382 50 10 KKGE COc1ccccc1C(=O)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 1084600534 TXEBXFCVRHSAAM-UHFFFAOYSA-N 503.780 5.463 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 1084648649 ZLDIOZUYKFZQIH-IYBDPMFKSA-N 596.298 6.135 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@H](Br)[C@H]2Br)cc1 1615831902 FLELJGYJBJTRIZ-AATMUMFQSA-N 624.376 5.200 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c(Br)c1 1772745962 MISPMAPBYNAPOV-UHFFFAOYSA-N 559.258 6.144 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748135 NSNRQZMNFHQLEP-UHFFFAOYSA-N 568.973 6.378 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772752064 URJIZNMFBXDVSR-UHFFFAOYSA-N 513.594 6.001 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@H]5C)c(C)c43)coc2c1 1772752201 YJNNMMHRBQRCHE-LJQANCHMSA-N 541.623 6.471 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1772760415 KHQAEQDOXCWUOT-UHFFFAOYSA-N 550.851 6.618 50 10 KKGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 1858666585 HKHUYNYWOQNOHX-UHFFFAOYSA-N 535.434 5.007 50 10 KKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 1860559605 JTXDMHDIJATRSP-UHFFFAOYSA-N 510.419 6.197 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccccc1 1865687011 HHXFZMZRGAITHU-LJAQVGFWSA-N 526.596 6.345 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865687187 LQAASTJZQFVAON-MHZLTWQESA-N 512.997 5.699 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OCC 1865691129 JZZKCNVDQAXFRU-SANMLTNESA-N 516.642 6.155 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692926 JWZGNPXKFBANLZ-WJOKGBTCSA-N 526.640 7.084 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)c1 1865693479 JWLGWMYEHKPBOH-SANMLTNESA-N 510.569 5.753 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1 1865694531 WUWVPVMRFKGRCD-MUUNZHRXSA-N 545.014 6.228 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OC 1865695337 BORXDILYNHUUEA-LJAQVGFWSA-N 566.658 6.352 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695652 RAHSXYPIJDPBDM-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702316 SHAKFXTWAQTWCY-HSZRJFAPSA-N 549.375 5.866 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703804 GDADFBCJOYJBEU-PMERELPUSA-N 565.048 7.237 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709146 PBPCNEMDMWZCGA-MUUNZHRXSA-N 578.113 5.732 50 10 KKGE O=C(NCCCBr)[C@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905828 KISJNMZQMWFJSD-NSHDSACASA-N 918.871 5.214 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867128576 SRSOCXZIVVFDHF-VGSWGCGISA-N 532.504 6.228 50 10 KKGE CSCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200193 YNEUMKPWEXZEFA-JOCHJYFZSA-N 577.135 5.990 50 10 KKGE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc21 1867205371 HRQPOELUWMZXOK-XMMPIXPASA-N 544.702 5.184 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)nc(Cc3ccccc3)n2)cc1 1868208249 XNXWWQCHRBUVEL-AREMUKBSSA-N 518.646 5.330 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)CC2 1868414769 PYMZKEGCPVSMOT-SSEXGKCCSA-N 572.134 7.891 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H]1c1ccccc1 1868414774 PZVZQCIKRPQHCO-VWLOTQADSA-N 513.070 6.607 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccc(CC)cc4)C3)n2)cc1 1868527948 KVCLVIHZPXFNNG-NDEPHWFRSA-N 537.689 6.999 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(Cl)cc1Cl 1872728896 ZQQFOVUZNYSREH-VXLYETTFSA-N 550.398 6.471 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 1901652942 ISRVYAAIIPQCEO-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)ccc1I 1923054401 DYJHTZJMSBDSSZ-MRVPVSSYSA-N 605.742 7.622 50 10 KKGE FC(F)(F)c1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067154 ZDARGSHABKGKER-ZCFIWIBFSA-N 519.427 7.491 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)nn1C 2014560403 OAGMRLYDCHONBZ-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Cc1nn(C)c([C@H](Br)c2cc(Br)sc2Br)c1Br 2017391476 XUHPEIIKMPGTCA-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1I 2053614823 MBMRFYJAVLIJHV-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sccc2I)c1Br 2081071302 NKZNSERLLMIGQX-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Cc1csc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2085493151 YGYJVKNZHPUXDA-GFCCVEGCSA-N 538.324 7.435 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2I)cc1Cl 2136697973 VQYYXIFQFRAHEU-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 2145601954 WQNXXSKSLHVMOR-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE CCCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 2175003479 CPZSUHFPZOTFNQ-ZWKOPEQDSA-N 632.445 5.444 50 10 KKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399452 HRHUTBCEJLZPRH-CYBMUJFWSA-N 615.154 8.013 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206405180 HCMVAVWDLQKBRO-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2ccccc2I)c1C 2218791635 DNFIBKACOUCQOQ-NSHDSACASA-N 500.037 6.411 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1Br 2225632643 DMBWEIVCMIVGMI-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Fc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1Br 2236103888 VISTYJDURTTYOT-LBPRGKRZSA-N 540.342 6.562 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1 2240998289 YJWISAMLFYLACJ-GFCCVEGCSA-N 519.924 6.264 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 2296648911 DBYZFUZSJWRBNJ-UHFFFAOYSA-N 536.426 6.609 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NNC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CCC2=NNC(=O)c1ccncc1 2297639536 ZYEHQFGKBKGWDM-SFKWZSHCSA-N 524.669 5.311 50 10 KKGE Clc1sc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299490428 YNMLPLGAYSXSNA-QGZVFWFLSA-N 507.074 7.834 50 10 KKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1Br 2300954421 XKVKVKUTGIEFSA-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 2313521414 MIJBQGHNHFJNJT-UHFFFAOYSA-N 556.800 6.534 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521613 ZOLTUJABILXZGR-UHFFFAOYSA-N 540.357 6.550 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313570998 LAPWCJHLOGKJQI-UHFFFAOYSA-N 601.111 8.196 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 2313631376 PEEXVDOZGGIZMI-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314610470 IRNNDTCVHJAXCE-UHFFFAOYSA-N 594.646 7.050 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314610828 MSTVVQLTHCZKII-UHFFFAOYSA-N 563.057 6.772 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314617918 DACJDACATLWIPG-UHFFFAOYSA-N 524.621 5.264 50 10 KKGE ClCc1ccc(Oc2cc(Br)cc(I)c2)c(Br)c1 2316758651 IENJWKKMPHUMBB-UHFFFAOYSA-N 502.371 6.347 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c(C(C)(C)C)c1 2331350723 OHFJKVJKYYDENA-UHFFFAOYSA-N 506.668 7.294 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1Cl 2331396524 JXPNZTWHVAUOIS-UHFFFAOYSA-N 514.390 6.080 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OCC)c3)n2)cc1 2331429434 WHQKJPGHLWCLCY-UHFFFAOYSA-N 508.687 8.503 50 10 KKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc(C)c1Br 2336048770 XFABPQDIJPVWRR-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336056224 HIWVKLJKKWXQQO-OAQYLSRUSA-N 559.523 8.237 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)ccc1I 2365184560 FFYWHXRIFKDIGX-GFCCVEGCSA-N 597.285 7.401 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)cc1I 2365596356 UMCJICNJZASCAL-ZDUSSCGKSA-N 552.834 7.245 50 10 KKGE Brc1cc(CN2CC[C@H]3[C@H](CCC[C@H]3Br)C2)ccc1I 2377353117 FUKQEXWNNNLQDI-HZSPNIEDSA-N 513.055 5.439 50 10 KKGE CC(C)(C)[C@](C)(CBr)CS(=O)(=O)c1cc(I)ccc1Br 2380275296 NJFXGQGWDMWFCI-CQSZACIVSA-N 538.083 5.275 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C\c1ccc(Cl)cc1Cl 17433866 IWKQBAICKJGERX-UCMJSZAQSA-N 512.440 7.823 50 10 KKGE O=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)c1ccccc1OCc1ccccc1 20522854 HMTOIDNAWLJVSY-UXHLAJHPSA-N 515.407 6.371 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1Cl 38700523 KRODPQLLCBXPLP-JOCHJYFZSA-N 511.759 5.548 50 10 KKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)OC 41018299 MVBRMZKRLWWJNG-XQNSMLJCSA-N 500.620 6.415 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1C 97657856 PNBZQXWUTUPQJZ-WDONWYDGSA-N 519.001 5.589 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100181988 KFVYATQWYSJCID-UHFFFAOYSA-N 591.355 5.676 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(Br)c1 100200981 YKVUVMYZEBKTFU-UHFFFAOYSA-N 547.534 5.947 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113177 SWFZYUGFIQRHSX-OGLMXYFKSA-N 536.213 5.775 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246639 OCOSJSAOIMGGTP-HEQFHQOESA-N 520.010 5.422 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 101362155 ZJJHQNMQUITQTK-HHHXNRCGSA-N 530.577 5.329 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 101372289 USCRXUOTSYQGSG-JGCGQSQUSA-N 556.659 6.474 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101377273 IKIWOKDUDVCOPR-RUZDIDTESA-N 521.367 5.050 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCCCC)cc1 101378297 CABFQDIAANAJTB-HKBQPEDESA-N 540.660 7.262 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383146 XREYRZKROGEPFG-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383186 PBPRGNMNGIPPJX-PMERELPUSA-N 583.984 6.030 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101397348 DYHBQCCILJRKLM-LJAQVGFWSA-N 557.046 7.709 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc5ccccc35)CCC4)ccc21 101602603 WCLVGOILYWFXPH-PNFNHJRFSA-N 554.650 7.592 50 10 KKGE Cc1cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)ccc1Cl 101647227 OCBCMCGEBHYRDV-FAJYDZGRSA-N 547.236 5.510 50 10 KKGE O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103733927 HKZRZURSTHJGCR-AIFPUMKXSA-N 545.639 5.437 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741482 KZLFMZZYLMZXGN-FNBPXTNNSA-N 573.299 6.821 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 103742193 ZEHCMHPRDWGWQS-FNBPXTNNSA-N 539.400 5.967 50 10 KKGE CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 103796178 POUDHUIAXMEGNF-RDRPBHBLSA-N 549.412 6.220 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc2c(c1)OCO2 103879224 ALHBBZRNYCIKNB-AMVVHIIESA-N 563.404 6.004 50 10 KKGE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1Sc1cc2c3c(cccc3c1)C(=O)OC2=O 104036569 YSXVIXGQKWMCIK-XYGWBWBKSA-N 533.609 6.637 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462285 WOKDMAQYWGVSLF-JGCGQSQUSA-N 641.507 8.381 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)ccc1N1CCCCC1 150479578 IJUMWFLJIJGQAZ-KEKPKEOLSA-N 748.376 7.111 50 10 KKGE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 204862931 ZIXYSUPSPWROPS-RSNRPVHPSA-N 522.799 5.254 50 10 KKGE in-vitro COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)cc1 205779396 CNLLVQWQMYRMKU-CFRACYSYSA-N 632.742 5.390 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1 206688341 ZNTOQLWHPDRVLI-BWWZDBMSSA-N 534.568 5.709 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214276433 QVDKBHZQUXIKRX-MYYYXRDXSA-N 545.555 5.249 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214326371 QUJYVZDKNXVJGQ-HMIUAYQISA-N 588.639 6.029 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214339923 SULPGSUZKWNTQK-ZKEUWGQUSA-N 608.673 7.611 50 10 KKGE CC(C)(C)[Si](O[C@H](CC[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1 215739574 CRBPHYMIRLKDFY-VYSOZWTASA-N 647.838 8.473 50 10 KKGE C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 225134009 QAGNTHOJEGTRBR-IVELDOIMSA-N 526.922 9.641 50 10 KKGE in-vitro O=C(NN=Cc1cc(OCc2cccc(Br)c2)ccc1Br)c1ccn(Cc2ccc(Cl)cc2Cl)n1 252589161 AHPZFFHXYHNHJB-UHFFFAOYSA-N 637.159 7.106 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 253482933 TVNYITMRDVDWOG-UHFFFAOYSA-N 542.433 6.353 50 10 KKGE O=C(COc1cccc2ccccc12)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254558618 OKBDPUOFWIDMRO-UHFFFAOYSA-N 506.480 5.848 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254595122 ZLUULVDNVVIJAR-UHFFFAOYSA-N 522.730 8.236 50 10 KKGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 254791744 RADDBQUUHZDEPW-PWJUYXJLSA-N 641.522 5.664 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)NCCCCCCCN3)cc1 642813637 BFICRVYQJYTUFV-UHFFFAOYSA-N 648.771 8.658 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 725423907 FDXLPDIKHFFGSW-UHFFFAOYSA-N 546.668 5.702 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725438372 HAYVDHBKYABBBI-PVKRJTJJSA-N 645.174 11.764 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Br)cc1 1083914485 KHENGLOLPMKENZ-MUUNZHRXSA-N 595.534 6.518 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cc2cc(Br)ccc2o1 1083915742 VWWPLCVPHPUCRH-UHFFFAOYSA-N 560.451 8.084 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1084113955 WZUOXOMUHMEMRT-LNYGVPGBSA-N 617.753 6.478 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084383741 GUDBTDNVMCOJGJ-UHFFFAOYSA-N 507.852 6.222 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1Cl 1084394988 VAQLQQBKTFCQJL-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 1084491753 MMWGYSWEPGTYBV-UHFFFAOYSA-N 633.373 8.865 50 10 KKGE O=C(O)c1ccc(COc2ccccc2C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084545909 FISGBGIMAXMEAU-UHFFFAOYSA-N 616.330 6.153 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2ccccc2o1 1084575195 ZYNJYWNPJBSALR-UHFFFAOYSA-N 565.194 6.687 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084617474 IYDKQHUUBZXCOZ-JOCHJYFZSA-N 685.256 5.347 50 10 KKGE CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1084625639 QQUYCMCBILGHNX-NRFANRHFSA-N 536.253 6.643 50 10 KKGE CC(C)(C)OC(=O)c1ccc(-c2nc([C@@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](F)C3)cnc2N)cc1F 1531862229 JNRFXJPLJBKLSF-CNDZOEFASA-N 519.709 6.816 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 1772754428 HIKZEADAVACKOK-UHFFFAOYSA-N 539.470 6.613 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434926 OYSKUZDIHNKWLV-CWNFUNCGSA-N 663.406 6.422 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OCC 1865688397 RBHPUNIJOTYSOG-MHZLTWQESA-N 500.643 5.906 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865691211 MQUWMKIPHRSVFK-VWLOTQADSA-N 571.475 6.626 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695596 FBZIXHDMJYQUHX-HXUWFJFHSA-N 564.267 5.886 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865697322 QAEMVXOQBXGXRP-NDEPHWFRSA-N 508.622 6.384 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865697335 ZXJMPLUHCGVCIH-OAQYLSRUSA-N 532.950 6.340 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865702308 SDSXQIUUUUHFEK-HSZRJFAPSA-N 503.528 6.109 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865703137 NTYJHKSOGFIDGJ-XMMPIXPASA-N 534.513 6.195 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865704709 CFRYNJZHUOHZOY-NDEPHWFRSA-N 575.024 6.639 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1 1865706881 HTEFDRYGRQYDJB-NDEPHWFRSA-N 503.650 6.451 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(Cl)c1O 1865707029 MDQWBFMBNIUTKW-QFIPXVFZSA-N 502.933 5.323 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866981469 WUHTZOWDVWGRNZ-CLJLJLNGSA-N 505.615 5.513 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c1 1868207635 QAVPJJLFMYMMTH-UUWRZZSWSA-N 555.707 7.545 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(N4CCCCCC4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414653 OJVUXBWETIXGPK-UHFFFAOYSA-N 519.118 6.959 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872756177 SYKZMEUSPPVBFZ-HSHIVQNRSA-N 500.363 5.603 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872758249 RPXLGLQZLKOATD-OCEZQBILSA-N 511.455 8.263 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccccc1C 1872792769 QDGHSQLRNGLSMB-MFKUBSTISA-N 510.659 7.786 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)N/N=C/c2ccc3nccnc3c2)cc1 1873497500 UUCXDBYFAFPXMC-HMPINXSZSA-N 523.637 6.047 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1sc(Br)cc1Br 1922934354 FUBLBMRXPBIQJF-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CC(=O)[C@H]1CC[C@](C)(C(=O)OC(=O)[C@@]2(C)CC[C@@H](C(C)=O)[C@]3(C)[C@H]4CCCC[C@H]4CC[C@@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@@]12C 1933246595 GTOLHEXSZJNTGA-QUTLPCQDSA-N 594.877 8.512 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cccc(Br)c1Br 1943903241 MWJXSBFNHNIBFI-JTQLQIEISA-N 524.297 7.126 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCOC1 2015965098 QUKDQZZCUTUBIJ-KWQFWETISA-N 511.899 6.288 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCOC2)c1Br 2025779903 MXUYPYOMOXMHFA-MLUIRONXSA-N 556.712 6.209 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012759 OGHUVJCTSYYAOG-PVIWIQBWSA-N 672.671 11.271 50 10 KKGE COc1sc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 2034629765 QAEJDZCQXABCEH-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCOC(=O)NC(=O)C(C#N)=CNc1cc(C(F)(F)F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 2040742157 HMALZPTWSXAQEG-UHFFFAOYSA-N 590.912 5.191 50 10 KKGE CC(C)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085496380 WGJPAXGFMZTUSS-LBPRGKRZSA-N 568.767 7.609 50 10 KKGE CC1(C)C[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501252 XHXCJGQZTLILHN-BQBZGAKWSA-N 568.767 7.609 50 10 KKGE CC(C)[C@@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2098113561 IQCNETUNGLPXPS-IBGZPJMESA-N 500.706 6.344 50 10 KKGE ClCc1ccc(Br)c(Oc2c(I)cc(Cl)cc2I)n1 2120529268 FKOJHLBINGTNTR-UHFFFAOYSA-N 584.804 6.238 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c1Br 2138848000 CDVFUTZQCCWGGD-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC[C@H]2CCOC2)c1Br 2141470172 YZLWLSUJHPHOJB-JGVFFNPUSA-N 584.766 6.989 50 10 KKGE CC(C)(C)C(C)(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470295 GAGUZGPOIGRREI-LBPRGKRZSA-N 584.810 8.245 50 10 KKGE BrC[C@]12CCCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2189899166 ATRUAHFXBSKTRZ-DZGCQCFKSA-N 514.043 5.373 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1Br 2206399078 BZZOLBRBDSVUHZ-JRKPZEMJSA-N 594.805 7.999 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2219002960 MHSHZPGACAJNRZ-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)s1 2224797613 ZKNHYGNBEKFMGX-SNVBAGLBSA-N 509.510 6.962 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2235598605 IUSJFJMVWIVDMR-JTQLQIEISA-N 550.314 6.462 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1Cl 2283554277 NPHZZYIBCIJYEA-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccccc1 2293031317 LGYBDYRTNCZRLK-UHFFFAOYSA-N 522.626 7.025 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCC(C)C)cc2)cc1 2293556294 NPMXAVWHZKLQKN-UHFFFAOYSA-N 503.624 5.685 50 10 KKGE CCCCCC=CCC=CCCCCCCCC(=O)O[C@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818704 NDFQGMFLXKIOOV-BHVANESWSA-N 562.879 11.052 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(Cn2nc(C)cc2C)c1 2295669860 BNRVLWHTTDYGFF-UHFFFAOYSA-N 526.618 5.618 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1OC 2296507000 ORVDYRLORALHRF-AREMUKBSSA-N 592.515 5.251 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507250 ZUOXTRHTZZJBSL-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2296928424 LRUINMSPSRBDQX-UHFFFAOYSA-N 553.431 6.057 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2297458682 TUQHYVJCHJXINH-QHCPKHFHSA-N 587.326 6.499 50 10 KKGE N#CC(=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2297534009 CKXWCVLXRVFYNA-UHFFFAOYSA-N 634.463 7.542 50 10 KKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)ccc1Br 2313568122 RPYDYWOFXUGFJE-UHFFFAOYSA-N 503.444 5.421 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c1C 2314533509 RLPMKFDSRWXQAZ-UHFFFAOYSA-N 529.394 5.720 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591857 GHEHQWYJLQAFKU-NDEPHWFRSA-N 509.675 6.746 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592199 NSTRNVHQNFRPTM-NDEPHWFRSA-N 525.674 6.446 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593654 QLTQBMQRUBQADU-XMMPIXPASA-N 540.472 6.452 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314610519 IYHKAWGAMZZFKP-UHFFFAOYSA-N 546.602 6.258 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314617434 YGYNMXQNFHOICA-UHFFFAOYSA-N 614.702 7.020 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(C)=C(C#N)C1=O 2314619641 CWEOKRDAHQUUJT-UHFFFAOYSA-N 530.584 5.238 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 2314620556 QMKKHTPMQIICDI-UHFFFAOYSA-N 572.665 6.090 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646888 SWDNNKGABUHBPX-GDLZYMKVSA-N 648.810 6.348 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663790 QKXXJCDPXGSZBM-UHFFFAOYSA-N 509.425 6.517 50 10 KKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)o1 2331049727 MYFXLVNCDLKNHF-GDLZYMKVSA-N 501.586 7.265 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362184 GOVVDBAWGRHGLG-QGZVFWFLSA-N 503.580 5.068 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1C 2331362284 RPEDYWPNAWFVHK-CQSZACIVSA-N 519.848 7.112 50 10 KKGE CC1(C)COC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336200713 NEIWIUUVSLSHFJ-SREIQFSDSA-N 540.315 6.689 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2353075720 FBTSUOWGGBMTQI-NRFANRHFSA-N 515.072 8.128 50 10 KKGE COc1cc(F)c(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 2364647731 NWFGDNBLSQLAFB-LJQANCHMSA-N 513.775 5.209 50 10 KKGE Clc1ccc(CO[C@@H](CBr)c2ccccc2Br)c(I)c1 2365636034 NLRGYHXKJJEMOM-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE Clc1cccc([C@H](CBr)OCc2cc(I)ccc2Br)c1 2367602106 PQSIOXUOLFRILE-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 19650724 BJTBDWDDBYYLFC-WKULSOCRSA-N 516.692 5.985 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651549 KAFMABPYKOSQJJ-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678940 CRIYDMFOZNEQBW-VWLOTQADSA-N 519.395 6.065 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)o1 38688702 KYFKVUUMXMHCEY-QFIPXVFZSA-N 505.324 5.843 50 10 KKGE CCN(c1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1cccc2ccccc12 40589276 YAHBOUSGACTWBH-UHFFFAOYSA-N 507.348 5.215 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OCC)c1 40999864 ZGZWHDPOTDCHRN-MZZZYUEISA-N 507.583 5.608 50 10 KKGE CCOC(=O)Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCBr)c1cc(NC(=O)OCC)ccc21 72130474 HTAUGXOVLBRBAT-UHFFFAOYSA-O 551.461 6.869 50 10 KKGE in-vitro CCc1c(C)sc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)c1C#N 96438600 DMQNUQPBUBHKQV-HMAPJEAMSA-N 507.619 5.957 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccccc1C#N 96930603 VZROIHLWGFLSMI-GRSHGNNSSA-N 506.331 5.593 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100182078 RJNFOHCLIPNYNB-UHFFFAOYSA-N 607.752 5.004 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246294 OXIOKHXEBXMELR-IEQIIXMPSA-N 562.489 6.221 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101335616 SCAUZDHPDSFQOJ-STBIYBPSSA-N 627.528 7.054 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C2=O)cc1OC 101339176 LYPYRTGNZHZVNZ-VUTHCHCSSA-N 572.665 6.008 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 101363590 OPMXRIFZATVLNL-AREMUKBSSA-N 533.422 5.949 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101375709 QPCHNAXXKSHVHQ-SANMLTNESA-N 525.388 5.985 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5)ccc43)cc2)cc1 101378542 PBJHQJXJFNPHQX-MAEVIZKRSA-N 549.026 7.064 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1Cl 101385673 YSBRSQIEGUUDGC-MHZLTWQESA-N 545.016 6.426 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385979 LANUVSGFIHFDJY-LJAQVGFWSA-N 618.429 6.927 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387462 NMPNBMWKMBETLI-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388271 GFXRRUZHJOYYTM-WEZXKFLESA-N 615.057 7.048 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 101388746 SUNHZVYLDSGYEX-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)oc2ccc(Cl)cc12 101391337 TXBYWQYIZNRSKJ-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OCC 101395389 QCVHDVBTCXJIQV-SSEXGKCCSA-N 625.549 8.187 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)oc2c1C 101397599 JCLNQGIHYBLUCM-WJOKGBTCSA-N 591.063 8.028 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101398676 XBTPHNHUCOYHFA-SSEXGKCCSA-N 619.476 7.938 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101398892 WCJXZVTXYQZQIQ-IHLOFXLRSA-N 601.442 6.536 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1Br 101680498 RBAYAMWMXKTGJL-IRMYMQKMSA-N 547.405 5.308 50 10 KKGE N#C/C(=C(/Nc1ccccc1F)SCC(=O)N1c2ccccc2Sc2ccccc21)c1nc2ccccc2s1 102929839 YVGLDWJHJYZYEM-VUTHCHCSSA-N 566.708 8.302 50 10 KKGE N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 103779118 WQMXXNJRJXLXKC-VBKFSLOCSA-N 524.827 6.955 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1 103877549 AELGVVIJIHEAQN-FDALDRLYSA-N 626.526 8.096 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 109844713 DWHONUSUIAUYRZ-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN/C=C3\C(=O)C=Cc4ccccc43)n2-c2cccc(C(F)(F)F)c2)cc1 136209030 IEGUZACQTMEQIF-JLPGSUDCSA-N 577.588 5.312 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433677 AGTVFASBHKZXCF-UMSFTDKQSA-N 669.561 9.080 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150443375 GIYAGRHJZWWDRY-PMERELPUSA-N 661.538 8.762 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150468485 UVFGHYIBAWSMKK-DEOSSOPVSA-N 700.830 9.124 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 164607291 XZYSYMAGPBUNEZ-ODNPBWNPSA-N 680.373 8.707 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[P@@](=O)(O)OCC[N+](C)(C)C 198043000 VHUANLHPOICHQL-YYKWJWRYSA-O 579.900 7.801 50 10 KKGE in-vitro CCCCC(F)(F)[C@@H](CC[C@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1CCCCCCC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 205145827 DXVSMWCKXOCOJF-BFFXDATBSA-N 680.990 10.184 50 10 KKGE in-vitro Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccccc5)ccc43)c2)cc1 205665741 IBJIAJZAEPUXNR-ITJTYRFCSA-N 514.581 6.411 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214353026 HLIZQEVSWHEAAF-CEUNXORHSA-N 540.623 6.205 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 235813877 HRLFUVQFQANNGP-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE COc1ccccc1C=NNC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1 254385188 AMEMUQGYKCFFSG-LJQANCHMSA-N 535.073 5.481 50 10 KKGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(OC)c1 254475853 VHSJNEOUTLRKMT-UHFFFAOYSA-N 573.719 5.808 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254704643 OKLBGRUXBKIMEU-UHFFFAOYSA-N 589.765 7.362 50 10 KKGE Cc1ccc(C)c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 256019131 MYABZAAKWMNZTH-JEBQAFNWSA-N 508.092 5.928 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2OC)cc1 263621915 SEIWHIZDZTWVPT-IBGZPJMESA-N 621.712 5.155 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2csc(I)c2)c1Br 306071253 CDMGTAYOGRUPSI-ZETCQYMHSA-N 531.982 6.680 50 10 KKGE Fc1cc(F)c(F)c([C@@H](Br)c2cc(I)ccc2Br)c1F 396115859 XIROMWDMCMELBF-NSHDSACASA-N 523.887 6.094 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C#N 1084002606 BDPLEDVLWVHYLE-VXLYETTFSA-N 618.258 6.993 50 10 KKGE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 1084116756 NEUBFUJEBDXCDM-UHFFFAOYSA-N 520.545 6.393 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCC(=O)O)cc1 1084146177 PBOZRYXQNLHCIZ-UHFFFAOYSA-N 532.394 5.443 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084172092 SBCGRPBUNUJKMI-MKMNVTDBSA-N 561.079 8.732 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1 1084265553 IIVALBHYBLXYKX-UHFFFAOYSA-N 582.075 7.987 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 1084553880 IOCQWUXCZBOFEZ-VWLOTQADSA-N 536.426 5.262 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cc(Cl)ccc1Cl 1084641352 HXZGSEQUQCAWMY-UHFFFAOYSA-N 520.485 7.354 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751135 ITHRJIYJAGPTGO-UHFFFAOYSA-N 508.361 6.133 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752049 SPDJUSNPMIUNCB-UHFFFAOYSA-N 541.604 5.414 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OCc1c(Cl)cccc1Cl 1772753892 MGVGQUQZVBFNPB-UHFFFAOYSA-N 538.225 5.873 50 10 KKGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848434811 NMNGXZIYPJHWNQ-ZOJZJPOASA-N 793.786 6.704 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686695 ZNOSKMGSVRGSST-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 1865687506 SPBDNRQHABIEOM-PMERELPUSA-N 556.622 6.354 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCCc1ccccc1 1865688094 JDZZHZODVGLDQE-HHHXNRCGSA-N 512.997 5.682 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688904 DTMRBUJIJHVGST-DEOSSOPVSA-N 557.448 5.910 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695376 CCXXUJRTGPRJBX-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696153 KLTDIVQDDMCKKR-HHHXNRCGSA-N 521.621 6.120 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696765 KCPGUTPSCDNVHR-LJAQVGFWSA-N 520.633 5.732 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701357 TWQXXDWVQJPNAJ-NDEPHWFRSA-N 559.041 6.482 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)c1 1865703010 KTTDMTUXUKOVEB-JGCGQSQUSA-N 552.678 7.321 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865705032 KJOUYRTWAMTYBG-RUZDIDTESA-N 512.953 5.280 50 10 KKGE CC(C)C[C@@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865903753 GOPNLXJHAIPJMM-LBPRGKRZSA-N 531.248 6.523 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1866131840 PSSKBZJCSOFCKJ-AAGJOFLKSA-N 501.446 5.994 50 10 KKGE O=C([C@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)N(CCCl)CCCl 1866307982 IVSWVLIHSMAYSH-LBPRGKRZSA-N 557.088 5.814 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)c(OC)cc43)n2)c1 1868505789 KNKSIGBXQVWJMD-UHFFFAOYSA-N 511.607 6.180 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4ccccc4s3)nc(-c3cccnc3)n2)cc1 1868563501 CLRBXNWVZRSPSC-JOCHJYFZSA-N 507.648 6.807 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(Br)c1 1872749796 IQEPBGVHUQNVMV-PYCFMQQDSA-N 501.421 7.234 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1F 1872752931 ZPLJIUQQIFKZMG-GFMRDNFCSA-N 503.555 5.836 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 1872755872 KIGTWDCBRIQROK-DYIYDVSVSA-N 514.434 6.528 50 10 KKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915186905 PKZOWONKEVKMLG-IBGZPJMESA-N 502.088 6.387 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)cc2Br)c1Br 1922896887 JEAANHDFCHNPEN-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 1924584499 YOKOQVCFJZMIPW-AZRUVXNYSA-N 507.911 6.908 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595472 ZPOSQLKSEUKQKY-SSDOTTSWSA-N 586.738 7.422 50 10 KKGE CC[C@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605631 UOBLEPRGMIEDKO-VXNVDRBHSA-N 511.943 7.544 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924613434 RQEHWXLOINPPNN-DMTCNVIQSA-N 523.832 7.060 50 10 KKGE Fc1cccc([C@H](Cl)c2ccc(Br)cc2Br)c1I 2083334522 RWJULUYWFDIWSS-GFCCVEGCSA-N 504.362 6.284 50 10 KKGE Brc1cscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493499 CJHUDJIKNIYTEU-SECBINFHSA-N 647.644 8.045 50 10 KKGE CC1(C)[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141470128 FBHPDNWJSFTEFY-VHSXEESVSA-N 546.269 7.308 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2141474256 YPNGIHYAPLDGJJ-GOYYGHBYSA-N 578.762 7.075 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCCN(Cc2ccccc2)CCOCC1 2154375112 DFXWCAXFWSHSMB-UHFFFAOYSA-N 516.705 5.726 50 10 KKGE COc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1F 2168414007 XMIRCRWIARNEFM-SSDOTTSWSA-N 551.895 6.862 50 10 KKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccc(Br)cc3I)cc21 2207259171 KEZPKHQPLDZSJU-JDNHERCYSA-N 507.991 6.034 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)Cc1sc(Br)c(Br)c1Br 2209349839 UNNYFXCASUWWRE-SSDOTTSWSA-N 586.925 5.638 50 10 KKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CC1(Br)Br 2233038781 IEHQINAAJBIGTO-ZETCQYMHSA-N 505.863 5.740 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2234061021 OLTZPIOIZUOPDN-CQSZACIVSA-N 511.689 6.698 50 10 KKGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CCCBr)C1 2234183381 YNNXRCROEHLUTR-NSHDSACASA-N 515.027 5.081 50 10 KKGE COc1ccc(CCl)c(Oc2c(I)cc(Cl)cc2I)n1 2239817209 HXUYIDQNEDPWHM-UHFFFAOYSA-N 535.934 5.484 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1ccc(Br)cc1Br 2255964600 QZVFMEKLEOTYMW-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1I 2283572908 GJYNSXUYBBXUJL-AWEZNQCLSA-N 530.958 5.812 50 10 KKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2285673913 DYSXHNGOANLKPE-ZTNVNUCQSA-N 604.747 7.854 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198336 WAAIGPJHOQMXEX-XMMPIXPASA-N 566.908 5.888 50 10 KKGE N#CC(=Cc1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(Br)cc1 2295172685 YIROIJBFKYYYBV-UHFFFAOYSA-N 533.403 5.916 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506952 MSAVHHMZKKJNAI-DEOSSOPVSA-N 566.466 6.235 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296930524 ODMWGIGFRIUQDD-JOCHJYFZSA-N 546.838 6.851 50 10 KKGE Clc1sc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299523341 SJJDUFCDYDCUDD-QGZVFWFLSA-N 507.074 7.834 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cccc(Cl)c2Br)s1 2300956167 WIVARXLDYFUVJC-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1C#N 2313570726 DXHDOTNYRPVEQL-UHFFFAOYSA-N 518.400 6.727 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571368 UPQFJMYCTJLIHN-UHFFFAOYSA-N 725.151 8.480 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(F)cc3)nc12 2314533996 VVXLAZIAAFGAFR-UHFFFAOYSA-N 508.431 5.499 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592500 VQUZIAZFSVLUKG-RUZDIDTESA-N 566.510 7.190 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593795 SXBJNDIAFLZDKJ-BVZFJXPGSA-N 501.583 5.138 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314594091 YYCUWXRBZPABBE-RBISFHTESA-N 509.675 6.422 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCCC)C(=O)C(C#N)=C2C)c(C)c1 2314611116 QYCZGFKRZWZAOH-UHFFFAOYSA-N 520.633 6.195 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 2314618471 OENMNTDSFQAILM-UHFFFAOYSA-N 528.584 5.096 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314619547 AZSIMODLGSXNRW-UHFFFAOYSA-N 636.708 6.817 50 10 KKGE Cc1nc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)n1C 2315631498 URTXHYLNUYTXPK-ZCFIWIBFSA-N 542.316 6.168 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1Cl 2321672188 DYYZLVHAADMYNB-UHFFFAOYSA-N 502.014 6.442 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663793 RCUHMOJLLOUPKE-UHFFFAOYSA-N 560.267 6.662 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4OC)cs3)cc2C1=O 2331349317 JYYDCHUQGREDPH-MRXNPFEDSA-N 515.635 6.461 50 10 KKGE COC(=O)c1c(NC(=O)C(=Cc2ccc(OC(C)C)cc2)c2ccccc2)sc(C(C)=CC#N)c1C 2331560545 WNZKQERUHXQEJM-UHFFFAOYSA-N 500.620 6.737 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336044575 PBCRMAPCEDKUPM-HXUWFJFHSA-N 515.072 8.014 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1scc(Br)c1Br 2339680428 WLBJXRHERCGWCZ-SNVBAGLBSA-N 600.765 7.730 50 10 KKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)c1cccc(Br)c1 2349854492 QUBRMSSJVWOENM-GFCCVEGCSA-N 558.877 6.537 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Cl)ccc1I 2360495060 YJPACUMBSUMGFF-GFCCVEGCSA-N 528.801 7.481 50 10 KKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Cl)c1OC 2364116924 MCXHJKLAIZLVCU-JTQLQIEISA-N 508.002 6.161 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(F)ccc1Br 2365186927 VUQNVWDYELHGKA-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Cc1ccc(-c2ccc([C@H]3C(C#N)=C4Sc5ccccc5N4C(N)=C3c3nc4ccccc4s3)o2)cc1 2441485 LSSOVAOFRHQHMC-AREMUKBSSA-N 516.651 7.637 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 38605574 OSWWSNOBGZFHEP-YDZHTSKRSA-N 515.013 5.840 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655464 AKWPBUNIDOGQTR-HHHXNRCGSA-N 501.369 6.513 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 58891364 DZWVZGQFCCGVTE-XZJBEKIMSA-N 501.410 5.935 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 58895265 WCTILKSSOMUARC-KPHTWCJLSA-N 520.601 5.504 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914624 NCSLPCSBCPSBEU-HHHXNRCGSA-N 501.067 5.550 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 100147112 KNSNVGZUDWOZMH-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100235569 KNSFWYLSPNEHFK-IGGWZVJDSA-N 596.478 6.027 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 100236219 JXUKFDPNRFVBPN-ZZJXEYPFSA-N 624.757 6.807 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1cccc3ccccc13)[C@@H]2Br 100935390 WXRSSPGYMIDMLU-CZAAIQMYSA-N 573.123 5.287 50 10 KKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 101034227 PBVOTPAUFKXZCC-GXDHUFHOSA-N 549.220 8.046 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C)c(C)c1 101246830 HGCXMBOZFANHFN-NNHPPCHPSA-N 501.583 5.516 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101333477 DOQCCRABKDHVCU-LFVJCYFKSA-N 539.592 5.629 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101335649 ORINFTIUHFXEOY-PPOKSSTKSA-N 608.698 6.900 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCCC(C)C 101375022 QGQNZDXOABZKOK-WJOKGBTCSA-N 542.632 6.021 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCCC(C)C 101375185 IUDBKCBASLRFJV-XMMPIXPASA-N 618.555 6.408 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101376967 XVYSYTWBAAXUKW-NDEPHWFRSA-N 563.448 6.221 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101388991 IRDUVZKKORDELE-YTTGMZPUSA-N 611.582 5.914 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101393287 STMMQHNLNKXAOU-NDEPHWFRSA-N 589.113 7.734 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)oc2c1 101397952 BZQNGCQWCQISFJ-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl 102988712 VGHXLXOJOZIFLP-UYRXBGFRSA-N 549.027 6.733 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@@H]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C 106804751 AEYODSVVEHKWAU-DISZHMCESA-N 594.801 10.075 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2s1 110559124 MAAVGXJCWFBRTN-LYBHJNIJSA-N 565.724 6.778 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)ccc1Br 137918509 GIGGXBZJMZUNMP-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150389172 VSLQQELEZYYDJV-UHFFFAOYSA-N 630.156 5.150 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc(Br)ccc3OCCc3ccccc3)cc2)c1 150418898 RDLVGYXRQVIWOD-UHFFFAOYSA-N 631.552 5.581 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430536 YSHURIDKUASGAN-UUWRZZSWSA-N 635.116 8.427 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150462470 BXYBUGVHNVYACX-GDLZYMKVSA-N 647.511 8.372 50 10 KKGE CCCCCCCCCCCCOc1cc(B(O)O)c(OCCCCCCCCCCCC)cc1B(O)O 203829077 CPPUVZOCMPJFPZ-UHFFFAOYSA-N 534.396 5.646 50 10 KKGE Cc1ccc([C@]2(C(F)(F)F)N/C(=C(\C#N)c3ccccn3)O[C@@H]2C(=O)c2ccc(Br)cc2)cc1 229780148 AEPPTCQQDBSTRG-YILNJECVSA-N 528.328 5.674 50 10 KKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 252635934 XCLYUBOMLSSIIJ-UHFFFAOYSA-N 505.530 5.446 50 10 KKGE C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1 254134657 MGVIMUPHKPHTKF-SCJWZCGCSA-N 867.086 5.951 50 10 KKGE in-vitro CCCCN(C)C[C@H](C(C)=NNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254628360 BYRROZISRCQPLM-POURPWNDSA-N 539.676 5.713 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc(Cl)cc1Cl)[C@H]2Br 256019898 LFLYJVGTHWWIKI-UVBJJODRSA-N 549.912 6.585 50 10 KKGE CC1(C)CC[C@@]2(CO)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2C1 616568008 WPYBDOJHQDQXDD-BQCLOSKISA-N 556.992 10.171 50 10 KKGE Clc1cc([C@@H](Br)c2scc(Br)c2Br)sc1Br 705421670 ZOJYEMARWCDFET-SSDOTTSWSA-N 530.326 7.235 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)c1cccs1 725416462 UWDOEQIBCWJMOF-UHFFFAOYSA-N 524.429 6.650 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1 1083889630 BISKTLJZDUKXKN-VWLOTQADSA-N 602.469 5.632 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083945504 IZQHMBOOLREJTC-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084008293 KILGPNVWDPTJSR-UHFFFAOYSA-N 538.829 6.245 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1 1084025315 WILWEPCIPYVIDT-UHFFFAOYSA-N 556.732 5.403 50 10 KKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1cccc(I)c1 1084030647 GMRFNKJERYJUCX-UHFFFAOYSA-N 535.179 5.397 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084083012 UFTZKOSVVPCRPH-UHFFFAOYSA-N 647.517 6.217 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084257170 RJTADUDAASWZJP-UHFFFAOYSA-N 540.066 8.311 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 1084261854 USNZORMPRCENAY-UHFFFAOYSA-N 503.577 6.935 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccco3)cc2)c2ccc(C)cc2)cc1Br 1084545819 GPRBGRDZKORLRX-UHFFFAOYSA-N 582.476 5.519 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084608921 OEDKNQFJMLCNDC-KOEQRZSOSA-N 542.466 6.981 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc6ccccc6c5)c(C)c43)coc2c1C 1772751632 IGEHHOFCBHPNRS-UHFFFAOYSA-N 520.585 6.723 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682157 HMTCDIJFGPCZTC-SANMLTNESA-N 549.428 6.682 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686869 DAMQXEOZXOGVQM-SANMLTNESA-N 512.997 5.894 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865690960 FXVADYXDZWZNPK-JOCHJYFZSA-N 546.977 6.730 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695336 NTINBRPVNNZUDP-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865696423 MFYRSPHDRQATAH-NDEPHWFRSA-N 555.078 7.379 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)c1OCc1cccc(C)c1 1865704884 GXGQFABLIZCKDA-HHHXNRCGSA-N 527.024 6.007 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1OCc1cccc(C)c1 1865705259 PPNRKXVBQDXQDK-SANMLTNESA-N 512.997 5.948 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705569 ZGCFXHKWOUYJKQ-MHZLTWQESA-N 541.567 5.380 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712246 TXWCOLQYJFBQIX-MGBGTMOVSA-N 572.640 6.755 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866696216 UVYCEIIVSRNZGI-KYJUHHDHSA-N 564.667 5.273 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867118022 YDMVUEOAIYSNPX-WNJJXGMVSA-N 559.613 6.565 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872758394 YEUDDONVHFKNRW-JZBNPYPUSA-N 519.648 5.646 50 10 KKGE O=C(c1cc(I)ccc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915160258 YWYDZPMAAKDRDB-GOSISDBHSA-N 518.620 5.714 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922934326 FMPJNLYFMDMMDD-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc(C3CC3)cc2)c1Br 1924568201 CTXHERJPKSTYBN-NSHDSACASA-N 529.917 7.397 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3c(c2)CCC3)c1Br 1924596927 VQUXLFCGOOPSPY-LLVKDONJSA-N 529.917 7.009 50 10 KKGE COc1c(C(C)(C)C)cc([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)cc1C(C)(C)C 2080771109 SPPWTTTZCGMIIW-BTDRIEDLSA-N 627.875 8.532 50 10 KKGE C[C@@H]1CO[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085492791 RQCOEROYPQCQMD-JUXRIQNQSA-N 526.288 6.442 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)ccc1I 2086020887 VFCWTXTUPDBVSP-LLVKDONJSA-N 564.906 6.979 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1ccc(Br)cc1I 2086149656 QHMKGKFIKNUCOO-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2108660663 CAKUTGKPPBYABK-POYBYMJQSA-N 501.456 7.578 50 10 KKGE Cl[C@H](CC[C@@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2141469985 YDSGKZSNIZEUPR-GMSGAONNSA-N 540.315 6.833 50 10 KKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(I)ccc1Br 2146718806 KAHBFZCBMRMKHQ-IINYFYTJSA-N 515.027 5.127 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1c(Br)cc(Br)cc1Br 2173613984 AIUNMLGFMGOZMW-BTNBEGNRSA-N 531.908 6.695 50 10 KKGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2197755586 JXKWUWNVTCMPBN-FQEVSTJZSA-N 517.283 5.104 50 10 KKGE COc1cc(C)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 2198733214 SZWHGXIYWYYMBD-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)c(F)c1Cl 2201619145 OFXKEQHPINNPSH-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2203833168 DVHISEVCGXDUSG-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE FC1(F)CCCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396752 AQEVFPPMZYXWET-WKEGUHRASA-N 604.747 7.998 50 10 KKGE Fc1cccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398554 WHKBSBURBVHUQI-VIFPVBQESA-N 594.736 7.554 50 10 KKGE COCCc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2207273389 UOZFLWVZBCIDOX-INIZCTEOSA-N 510.007 5.727 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Cl 2224320009 HNYDVDIBBHGRHN-NSHDSACASA-N 507.900 7.681 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2234067793 NKZYKCGGORHDQJ-YHQOMNDMSA-N 509.673 6.092 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081625 HLDWDKJJUVOVGF-HNNXBMFYSA-N 525.860 6.393 50 10 KKGE Clc1c(Br)csc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2264604996 JZKIXGJCGBERQJ-JTQLQIEISA-N 637.638 8.542 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)c(C)c1C 2284589642 KPEXBMAYRQIVIL-INIZCTEOSA-N 510.007 6.163 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 2295489504 WVMHRRKAMWETCZ-UHFFFAOYSA-N 582.682 5.353 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296038212 OYBXIVBAXLODAN-XMMPIXPASA-N 522.457 6.621 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C(=O)OC)c1C 2297466759 OTTPVZLEBVSKIQ-UHFFFAOYSA-N 522.435 6.427 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N=Cc2ccc3c(c2)OCO3)c1C#N 2297534466 OHUVXITXCAMGOS-UHFFFAOYSA-N 527.515 6.687 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(Sc3ccc(C=NNC(=O)COc4ccc(C(C)(C)CC(C)(C)C)cc4)o3)o2)cc1 2297710241 KCLSFSBJPYWYKX-UHFFFAOYSA-N 742.983 9.510 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 2313565120 SOYCFBIUGMWIAM-UHFFFAOYSA-N 503.805 6.791 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314452304 LVUTVCZOWVMGDO-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314617194 SLYOUXJIOITBJB-UHFFFAOYSA-N 500.639 6.269 50 10 KKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314619964 ICBIOWQFVSZBQT-UHFFFAOYSA-N 502.611 5.498 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(F)c2)cc1 2314646673 IVWHTEITKSCXKS-HKBQPEDESA-N 714.775 6.183 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1OC 2314754006 IKKBYRQMHYWIED-UHFFFAOYSA-N 576.715 7.422 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 2316776163 OTIARJABKBSMJX-PFGIIWDOSA-N 650.762 5.269 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2317411043 QIFHSIQTCAZUPK-RNSXUZJQSA-N 505.870 6.138 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1OCCC 2331293205 GQFMEYSBSOHASZ-UHFFFAOYSA-N 517.607 5.867 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331453705 YXMLMLPRIBBUJJ-UHFFFAOYSA-N 518.274 7.402 50 10 KKGE Cc1scc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2343461688 WESBRYCLRJFMEU-JTQLQIEISA-N 556.314 7.621 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CCBr)C(F)(F)F 2349828874 MEIYWCYHFBYVQC-NSHDSACASA-N 514.949 5.201 50 10 KKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362254697 MUUFZIXKFGDDOT-QUBYGPBYSA-N 513.448 5.265 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(I)c(Br)c1 2365225138 GLBGNCSGDAHYJD-CYBMUJFWSA-N 597.285 7.354 50 10 KKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1csc(Br)c1Br 2366240617 YAVSBKIGVCRZCA-SECBINFHSA-N 502.091 5.933 50 10 KKGE BrC[C@H]1CCC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2377328836 GOJJQWVHGHULOT-CYBMUJFWSA-N 513.055 5.583 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1 8383301 WPZNUPZPEWSDNO-UHFFFAOYSA-N 517.582 5.062 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651675 LVUBVUYZPOTYSI-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680653 FMXYMIBUKDZRKY-PUAOIOHZSA-N 506.961 6.194 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCCC)cc1 38682887 PBLZROOEMQZYGP-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813625 DBMFCTZHUKFPNL-FEZSWGLMSA-N 509.562 5.641 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 58893273 RVMLSHFMPKYZAX-NMBDKVOKSA-N 502.611 5.365 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 58894085 WVVAZFIRBCLNAX-POBUXNOSSA-N 514.981 5.429 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1 100237846 QEKDKDOXMPNLCG-POBUXNOSSA-N 606.432 5.381 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 100335569 UQHCEKZTVHCPNR-VCHYOVAHSA-N 555.328 5.333 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c(COc3ccc(C(=O)OCC(C)C)cc3)c2)cc1 100365213 NVEVBNPABOUVJK-POHGGTOGSA-N 635.717 6.017 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 100452909 INFRFKLDWOKPFO-MGCJZSHXSA-N 536.253 6.299 50 10 KKGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OC 100612872 YMICRJOJYPBNIG-GTWSWNCMSA-N 543.693 5.882 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101335045 DNACNBWIBOSBPE-IOQCEILHSA-N 631.758 5.752 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101339836 OSSBEQCRTVVZBD-AUEPDCJTSA-N 591.447 6.492 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 101363862 KIONYSLRUWEWEA-AREMUKBSSA-N 533.422 5.949 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369229 PSQGEXPBMIDKQV-GDLZYMKVSA-N 569.411 6.444 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101373841 VHHMDQRTUXRRPU-HHHXNRCGSA-N 563.448 6.464 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380332 KIYVEDPXJHHLFC-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380958 GREYDQGYFNULKK-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381305 ASSRHVZJFRZHNF-WJOKGBTCSA-N 601.486 7.799 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383815 RDESACPGIYTURV-YTTGMZPUSA-N 542.566 6.995 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384130 CNHUFPDWDGNSQH-MUWYNRMLSA-N 587.434 7.548 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386182 BPKBNWCVIUBAKW-WJOKGBTCSA-N 629.065 6.391 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386376 KABGTHIEJYLNPT-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101396389 PXGXEDDMTUEFGB-SANMLTNESA-N 553.442 6.864 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396740 UBUVKNMKTQLZNP-VWLOTQADSA-N 545.389 6.340 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-] 101450860 VYAXHEVYOXZOGN-UHFFFAOYSA-N 551.696 5.630 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1c(Cl)cccc1Cl 101712898 XZNCUPVVYQHRCG-VTNSRFBWSA-N 535.427 6.777 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 101727222 SKJDOBIZHBFXON-KCSSXMTESA-N 559.757 7.328 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1Br 101751326 CMVOPRHCKYPTOK-CIAFOILYSA-N 567.436 5.772 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 102766800 IVAFWGHFMDWKIX-IVYNLYIOSA-N 530.383 6.337 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cc(Br)c(Br)s1)OCCO2 128552969 LVUUUDWIHLDSQQ-LBPRGKRZSA-N 547.888 6.291 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(OC)c1Br 161125897 VFLIPMNPCKLRBM-ZDUSSCGKSA-N 543.875 6.476 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 205669935 RYJBHXIWVJJLKQ-BUYOYUATSA-N 558.634 6.810 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)cc1 205780745 DLLWQLJLJMJCFF-UOMFLXKPSA-N 676.795 5.808 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214261200 UYHFCXXBDSLNNW-KFWCYXQISA-N 560.629 6.648 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 214349085 GFUHKZLDBGZBCZ-VAMRJTSQSA-N 556.666 6.553 50 10 KKGE O=C(/C=C\c1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl 252607073 GXUOOOXGPLKCLX-ZDOBZMHKSA-N 508.155 5.732 50 10 KKGE Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3cccc(Br)c3)n2-c2ccccc2)cc1 252613976 JGEBUGFCACDZSG-IBGZPJMESA-N 549.498 5.581 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(N(Cc4ccccc4Cl)S(C)(=O)=O)cc3)o2)cc1 252615664 JUNYMOHXJHCDJX-UHFFFAOYSA-N 580.062 5.507 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254398059 JSWYSZOMADYDJV-UHFFFAOYSA-N 556.578 5.400 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C/c2ccccc2)cc1 254873793 RDDCSOUXWHFOHX-AHQZLHPLSA-N 517.427 5.062 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)cc(Br)c2)C1 382711718 HNEZEEHPFREAGQ-QAPCUYQASA-N 532.070 5.959 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)cc1Br 386203991 LTGOEDOQBNLNMY-LLVKDONJSA-N 548.842 5.342 50 10 KKGE CCn1cc([C@@H](Br)c2cc(Br)ccc2Br)nc1Br 698352814 CQWKMGYQLYJMNJ-NSHDSACASA-N 501.842 5.675 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 725398343 ZLVDTILWOFSBQW-UHFFFAOYSA-N 623.529 5.139 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]12C)C3(C)C 1083816042 LKHIBBPOJARUFY-PZMXIMPASA-N 968.182 6.765 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083886510 OOFLJUFKYXFLJR-UHFFFAOYSA-N 643.387 5.877 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 1084001148 MESYSWODHQBISP-UHFFFAOYSA-N 543.645 5.172 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084029303 BDHFYYTXUXZFJJ-UHFFFAOYSA-N 583.022 5.253 50 10 KKGE O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1084036653 MUXOXZOHXPJDBX-UHFFFAOYSA-N 550.196 6.018 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Cl 1084071545 ZIEVZOGRCDZGTE-UDWIEESQSA-N 572.830 6.776 50 10 KKGE COc1cc(C=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 1084140424 WHZFVXQIFUENLN-UHFFFAOYSA-N 563.748 5.270 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccc(C)cc1 1772755483 JFNDPBIWZZQRLP-UHFFFAOYSA-N 525.443 5.998 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865691469 SOXHNLZWDWMILL-SSEXGKCCSA-N 564.686 6.630 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865694802 CAHKPDQFQIKPEN-GOSISDBHSA-N 535.320 5.279 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697426 SEQZTFGVCYRGHE-JOCHJYFZSA-N 523.431 5.521 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Br)c1OC(C)C 1865698388 SAGCEXKFXWFHJK-FQEVSTJZSA-N 577.401 6.035 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1OC 1865700822 FCSAODGFYMOVOF-KRWDZBQOSA-N 525.314 5.492 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701350 SVWQZIQKQFPFLU-HHHXNRCGSA-N 561.469 6.606 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865702268 RCECFDWOQMKLAH-HHHXNRCGSA-N 540.067 6.325 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703056 LYBOGLCBCPTKIK-AREMUKBSSA-N 575.894 7.038 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703234 QXZLSHBTHJNJQY-PMERELPUSA-N 540.623 6.654 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)c1OCc1cccc(C)c1 1865706457 XGAYQSSVARPYSG-MHZLTWQESA-N 520.633 6.320 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865708768 FRNCZCMRNHOHEO-HSZRJFAPSA-N 512.953 5.206 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709007 LHKHDOQDCDZYGI-LJAQVGFWSA-N 575.685 5.277 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711978 MWSUYGBADJNERY-HSZRJFAPSA-N 572.375 5.199 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)/C(C)=C/c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866822363 WTQKEZFFTZXQSX-CJQNAUOBSA-N 534.037 5.608 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983987 WFPNSDVJICMBKO-IGKIAQTJSA-N 533.650 5.088 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(OC)cc3[C@H]2c2ccccc2)n1 1868387802 AFSJMLCNAINURP-SSEXGKCCSA-N 507.663 6.907 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415268 WDDANSGIVHMGJQ-QHCPKHFHSA-N 501.015 6.087 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1scc(Br)c1Br 1902775338 CBBCUNCDYYWDDG-GFCCVEGCSA-N 526.088 5.373 50 10 KKGE COc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923066844 VWEOVEMDRCEWGZ-SECBINFHSA-N 509.872 7.026 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1Br 1924569180 RDAOJYHCETVRFP-AHJLXCMUSA-N 519.922 6.764 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csnc2Br)cc1Br 1925238840 IGOYIPBZFPRWMA-JTQLQIEISA-N 504.867 6.223 50 10 KKGE Cc1nc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)s1 2003567541 FMIAGPKMRXLPPC-BYPYZUCNSA-N 545.341 6.938 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NC1CCCC1 2040365500 UFVWIAHSYWJYTH-UHFFFAOYSA-N 504.222 5.756 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2scc(Br)c2Br)c1Br 2083322810 VADMWZHIHTVTEF-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085493411 BOUFVFDFIOARAR-ZJUUUORDSA-N 532.242 7.062 50 10 KKGE Cl[C@H](C[C@@H]1C[C@H]2C[C@H]2C1)c1c(Br)c(Br)cc(Br)c1Br 2141469312 UOZOABLSVJKWKH-FBSDJGSXSA-N 536.327 7.453 50 10 KKGE CC1(C)CCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471537 SNPIJBCYOPXCPO-HQJQHLMTSA-N 582.794 7.999 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141476584 CRKKWCJOTMINKU-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141804171 WBISMFGUTHFMJW-ODHVRURNSA-N 537.937 6.534 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1c(I)cc(Cl)cc1I)C[C@H]2Br 2173616869 XESKZUOLESOQNF-IRTPTFBHSA-N 581.457 6.270 50 10 KKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401634 YKQYOTGEHOWDFD-RNCFNFMXSA-N 598.793 7.378 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)ccc1Br 2229154764 SATULSAYZCZUPM-CYBMUJFWSA-N 532.295 7.306 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511718 LEVJLVIVICHRMP-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)s1 2233020474 RRBOMGNGGGATRZ-ZDUSSCGKSA-N 503.481 6.900 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc2ccccc12 2294187397 JPWDNNFUIXDJNW-UHFFFAOYSA-N 545.408 7.265 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCCOc1ccc(C(C)(C)C)cc1 2294593247 NJCLLSPJLAKQAC-UHFFFAOYSA-N 533.466 7.059 50 10 KKGE Fc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(F)cc1Br 2295413600 HOWMEPJYVIWQLD-CYBMUJFWSA-N 503.025 7.250 50 10 KKGE Cc1ccccc1N1C(=O)[C@@H](Cc2cccc(Cl)c2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2296507138 VFLGSBRRTHXTHJ-JOCHJYFZSA-N 508.430 6.367 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296790003 IRDRPQAUNLSEIT-UHFFFAOYSA-N 647.550 8.901 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@@H]3CCCO3)c2)cc1 2314478669 QMUNSNLKVBPVCK-PMERELPUSA-N 518.617 5.629 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591872 GNQIWCXAQLERHE-XMMPIXPASA-N 538.456 6.457 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592913 DKZXUIGSESDDDS-WINIVTDRSA-N 598.090 7.786 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314618486 OJXMTJYXIWMALI-SANMLTNESA-N 522.605 5.099 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314620980 XSHNMBGQTVGCEE-UHFFFAOYSA-N 572.621 5.274 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@@H](C)C2 2314646685 JGBZEPIDRFFBBZ-IADCTJSHSA-N 630.726 5.088 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646953 WJACDBCMCPWUEQ-NDEPHWFRSA-N 650.732 5.774 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 2314737851 ZHCWZVJKJPELSL-UHFFFAOYSA-N 509.389 6.937 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1 2331273295 AUOOZBWKGUIBRA-UHFFFAOYSA-N 503.374 5.557 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331305466 GFYBTKHSIGFKTI-ZDUSSCGKSA-N 505.821 6.885 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 2331325070 GJMNLXQNIQZTPL-AWEZNQCLSA-N 511.987 5.335 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334693 BOIXDPSWPBMVGQ-HSZRJFAPSA-N 521.554 5.239 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2340069123 VRKZZRQDLGXDMJ-CQSZACIVSA-N 534.482 7.205 50 10 KKGE C[C@@H]1CCC[C@](CI)(OCc2cc(I)ccc2Br)C1 2341855574 CIEBTYDBBRJMMH-ABAIWWIYSA-N 549.028 5.954 50 10 KKGE Cc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360427888 XMDXHDJFLCEVPB-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)ccc1Br 2360432277 CJRQEQDGZHTRSB-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE Cc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1I 2360438268 VIBXCTRSONKQOZ-LBPRGKRZSA-N 552.834 7.292 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 2365224412 YBQJXNCJANDFRY-ZDUSSCGKSA-N 550.285 7.512 50 10 KKGE Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OC(=O)/C(C#N)=C\c4ccccc4)ccc3c2=O)c1 33711330 DABAKPADVZNHNG-UYRXBGFRSA-N 505.448 6.734 50 10 KKGE N#C/C(=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 34988202 VCTTWCWHIUMCBO-XMHGGMMESA-N 506.953 5.555 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)c1 38659916 HYXXQQIAJNIATC-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660842 ATPBJFVKFRYTJQ-LJAQVGFWSA-N 504.542 6.315 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 38686832 GRFBTVWSIKUGRM-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)c1 40530007 NFGCWSJABBDDCA-PMERELPUSA-N 526.633 6.872 50 10 KKGE Cc1cc(Oc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc(C)c1Cl 40659546 ZNLDSRKUQJVKJE-UHFFFAOYSA-N 512.737 5.276 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100061586 VMBGWFFUHZUAQH-UHFFFAOYSA-N 564.274 5.402 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100141535 UECCKHRPPKCYKX-UHFFFAOYSA-N 578.301 6.164 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3OCCOc3ccccc3)cc2)cc1 100161125 WVHWFPDXRAKQJU-UHFFFAOYSA-N 551.643 5.769 50 10 KKGE C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921779 HAWJBDFOEJGWTO-AUENNLLBSA-N 520.103 5.650 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243914 UOKUBEXIVLKJGO-WWTUHYLUSA-N 532.065 6.042 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101332809 JIVYPUUNWFGHBD-RDRPBHBLSA-N 546.602 6.260 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101338661 BZQBNGNQPRQTNZ-FADJLKOXSA-N 604.710 7.806 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362454 DSFIGEOIOHMECQ-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 101381299 ARYHZYLOEUMROS-YTTGMZPUSA-N 601.486 7.392 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383919 FEMZHUZUINILIR-KATKFWMUSA-N 578.640 7.119 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386697 WDOKGWRQQUUWEI-VQFOKPCISA-N 604.678 7.548 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c(OC)c1 101392228 JHZJMRZEHPLEHH-SANMLTNESA-N 530.964 6.158 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399570 SOCLGNWFTFUJFU-JGCGQSQUSA-N 604.634 7.522 50 10 KKGE N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 101512533 ZXRUPYXPCBTORB-ZHZULCJRSA-N 528.362 6.635 50 10 KKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 101727439 KNDBMMCOOKHFTC-BHGWPJFGSA-N 524.893 6.257 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 102667342 FSTUPNAWHGZBMT-AHCSBEPMSA-N 516.066 6.639 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1 103806584 WZUOXOMUHMEMRT-OTTKIMOLSA-N 617.753 6.478 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1 103879441 SLWIGFPWLUQXBR-KVSWJAHQSA-N 576.216 6.448 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(I)cc2)c1 109844318 OMKLOQJCPXXBRQ-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 110555543 BQYMSCSYBNDFKI-WGOQTCKBSA-N 558.686 5.684 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150479414 IEAHKJDHAWOYFS-DEOSSOPVSA-N 628.937 6.817 50 10 KKGE O=C(CCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)N/N=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 150627241 WUEDSDRGGGLHCS-HVCCMGDBSA-N 631.472 5.812 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(SCCC#N)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 215368031 WFXRMNGTFFJLSM-RKKBZCJMSA-N 729.972 6.924 50 10 KKGE N#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216489953 QDCKACDZCGETAK-ZXPTYKNPSA-N 512.657 5.707 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254513191 IQADZXNTPOPBNO-UHFFFAOYSA-N 542.676 7.496 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 254527469 KRKQJWKCDXONTC-UHFFFAOYSA-N 533.563 5.346 50 10 KKGE CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254751506 MCOGJAKKUYSJNQ-UHFFFAOYSA-N 502.390 5.104 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(OCc4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)cc1 254872972 FDEIFTLCDWDBER-XIFFEERXSA-N 594.696 5.019 50 10 KKGE Cc1ccc(Br)cc1COc1c(Br)cc(Br)cc1CBr 313701299 KJTJLIHZHORZIY-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 575627329 RKPWDVVMCBUEMP-LOCCHRAXSA-N 644.482 7.762 50 10 KKGE in-vitro CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 725240211 QBQILPGPOHKOEN-KWHAZWSISA-N 538.257 8.458 50 10 KKGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 1083875707 UFAYBBLPTGBGOD-UHFFFAOYSA-N 514.159 5.208 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1 1083987598 JDGRIYXSBNPXHF-UHFFFAOYSA-N 621.693 7.861 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)cc1 1084022947 XEFDIYNBIKUWHU-UHFFFAOYSA-N 520.032 7.449 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084074521 WNGFURQSDKRHJD-UHFFFAOYSA-N 548.672 5.701 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1 1084113130 GZRFUZGWKFKLOC-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1ccccc1SCC(=O)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084175846 FTXBFFIGDOESAK-UHFFFAOYSA-N 526.643 5.681 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1 1084293954 QCMVTKWGLCMENL-UHFFFAOYSA-N 501.051 7.284 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1C 1084425826 WMAPCKICGPMPQM-UHFFFAOYSA-N 568.621 5.767 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1cccc(Br)c1)c1ccccc1Cl 1084574338 OYWROLCYWRELQJ-UHFFFAOYSA-N 516.873 6.639 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1 1084619213 CIEBKUUTYKSVBL-VCHYOVAHSA-N 546.248 7.198 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl 1084656407 ZXNKGPQXKGEPRM-UHFFFAOYSA-N 675.954 8.062 50 10 KKGE O=C(/C=C/CBr)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1690140204 IQJWAIKYBNTYPG-YUKKFKLSSA-N 521.774 5.223 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751631 IFFGNBUNTKDEQQ-UHFFFAOYSA-N 505.880 5.689 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682142 HGNHGBWRGBTMFU-HHHXNRCGSA-N 519.004 6.632 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865692527 GUQDBGKUSSDBII-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865693677 XXPSNGNBJKKXHC-HSZRJFAPSA-N 523.431 5.657 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865695209 MVKZKQNVIYFZHN-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1O 1865695794 HHIYUTZHIZOOGK-OAQYLSRUSA-N 515.367 5.234 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCCCc1ccccc1 1865696810 LBYOGDIYZIYEPU-GDLZYMKVSA-N 524.596 5.617 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1OC(C)C 1865697418 RXKNBNYQNMUWMD-AREMUKBSSA-N 527.024 6.266 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707498 YBQOXOWOFOPCGP-HSZRJFAPSA-N 530.968 5.142 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130236 ITOSMBOOTAFLAU-KGENOOAVSA-N 515.566 5.299 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)c2ccccc2)cc1 1866783687 ZJCFOJSAQBBGQO-LMSSTIIKSA-N 527.596 6.556 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2sc(C)nc2C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867157155 RIAVNFHDWJTBAE-QFIPXVFZSA-N 522.652 5.053 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccccc3)n2)cc1 1868365882 XGQFPNKIMHQZBO-SANMLTNESA-N 508.626 6.019 50 10 KKGE Cc1scc([C@@H](Br)c2sc(Cl)cc2I)c1Br 1902877574 XXGACBLBNOIHPN-SECBINFHSA-N 512.457 6.623 50 10 KKGE CCCC1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568841 MKRPPZHPELKFHD-IEIXJENWSA-N 509.927 7.298 50 10 KKGE C[C@@H]1CC[C@](C)([C@H](Br)c2c(Br)sc(Br)c2Br)C1(C)C 1924609036 RBMKKFYITDRBTQ-KZJPANMKSA-N 537.981 7.934 50 10 KKGE CC1(C)CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 1949735482 ZJJDLIJJBFXKJK-ZETCQYMHSA-N 509.927 7.298 50 10 KKGE Brc1cc(NC[C@H]2C[C@H](Br)C2)cc(Br)c1I 1991472754 JBVWAVNKWHLVFE-LJGSYFOKSA-N 523.832 5.402 50 10 KKGE Cc1cc(Br)c(CBr)c(-n2cnc(I)c2I)c1 2005453067 RMYCSDAYDRXWAT-UHFFFAOYSA-N 581.815 5.047 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2025778955 BABGMCAXMPYXCX-LLVKDONJSA-N 510.289 7.207 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=C(C#N)c1nc(CSc2nc3ccccc3s2)cs1 2053623006 ZMEGBNIPGHKNAM-UHFFFAOYSA-N 506.081 7.257 50 10 KKGE C[C@@H]1COC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495681 RVUCIMHJVMAFNB-ZWBHMBAVSA-N 526.288 6.299 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2COCCO2)c1Br 2085496922 YPQQMHVFHYWBTE-WRWORJQWSA-N 572.711 5.588 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)cc(Br)c1 2117893815 JGFHJKZJCLUVHN-JTQLQIEISA-N 503.016 5.325 50 10 KKGE BrCC(CBr)(Cc1csc(Br)c1)c1ccc(Br)cc1 2139780865 RHPJSVVKKHGTBX-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1O2 2141468808 NVXCNKPVNWZNMG-UPVAVPFISA-N 538.299 6.584 50 10 KKGE CC1(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141471426 RJVXFMIXDDELEW-JTQLQIEISA-N 538.343 7.987 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 2200838369 PMXKFUHJQXOFPW-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Fc1ccc(Cl)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406255 XGBUZLFVBIOLPP-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE C[C@@H]1CC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2214910580 NKBLXSVNZJVPNT-JPOPXJHUSA-N 510.289 7.063 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2)c(C)c1Br 2220159948 ZKQWZLCJNMRREA-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1c(Br)cccc1Br 2229149098 BMRUZQVPJWNEPA-GFCCVEGCSA-N 532.295 7.306 50 10 KKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)[C@H]1OCc1ccccc1 2234072563 ZMESOMNJPTXFND-UYAOXDASSA-N 512.673 6.857 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1Br 2234468631 DUYVGMDKAXLOHB-GFCCVEGCSA-N 631.247 8.506 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(Br)c1Cl 2283560677 JYSWDYBNONDEJN-LBPRGKRZSA-N 595.294 6.963 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2284738943 RDPOTZRYMYKLFR-HQJQHLMTSA-N 596.777 7.132 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 2293198462 VDQRILDYMGBLQD-HSZRJFAPSA-N 541.982 6.101 50 10 KKGE COCO[C@@H]1C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@H](C)CC[C@@H](OC(=O)[C@@](OC)(c4ccccc4)C(F)(F)F)C(C)C)CC[C@H]3[C@@H]21 2294819028 WKBJJVNVHWVMMW-CRIMLHRWSA-N 919.295 12.278 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2sc(Cl)cc2I)c1 2300954029 RIRGHGPPYMNISG-NSHDSACASA-N 506.428 6.561 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567757 OEDKNQFJMLCNDC-UHFFFAOYSA-N 542.466 6.981 50 10 KKGE COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 2313570777 FZTKILVUZWMGNM-UHFFFAOYSA-N 518.094 5.060 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570966 KHNKMBLTPAZEOM-UHFFFAOYSA-N 552.255 8.034 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(Oc3ccc(Cl)cc3Cl)nc12 2314436807 HYZZRXOTMKEFDU-UHFFFAOYSA-N 505.361 5.325 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314490044 VPQMUGFSIRQQLM-UHFFFAOYSA-N 555.615 7.151 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592847 CUNLJYQDNVHCJV-LJAQVGFWSA-N 523.702 6.389 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 2314617898 CSYBEGIFRHTSLF-UHFFFAOYSA-N 543.627 5.906 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703216 ZLASOKUGJVYKGY-UHFFFAOYSA-N 541.423 5.917 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 2331326083 YKDQZXOANLPJPF-UHFFFAOYSA-N 500.420 6.815 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331363997 DGUBAONFSDIMGP-UHFFFAOYSA-N 516.450 6.909 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c2ccccc2)cc1OC 2331393899 GKYGJMGAFZCXHY-UHFFFAOYSA-N 508.643 7.786 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 2338021551 QROXGWJHEHNCTC-AWEZNQCLSA-N 578.933 7.315 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccsc2Br)c1Br 2339652795 CILKFGRZPDOOAW-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2354875011 LNFSNZAXUKURHB-GUDRVLHUSA-N 549.992 8.078 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363839943 ZBHDKXQLFUWQMY-BDODKLCJSA-N 519.402 6.474 50 10 KKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1 2364260516 IGBPUNWIHUVRJP-OAHLLOKOSA-N 527.876 6.661 50 10 KKGE Clc1ccc(COc2c(Cl)cc(Cl)cc2CBr)c(I)c1 2366729622 MVRRHMFNXNKXHY-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE Cc1cccc([C@H](CI)OCc2cc(I)ccc2Cl)c1 2380353292 JSKIQYKLAQWZAH-INIZCTEOSA-N 512.556 5.946 50 10 KKGE CCc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 3144563 FMAZVRCCFILYED-OCSSWDANSA-N 517.423 6.273 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678703 AZTRNONEFGBPLS-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38680022 PPGHFSLBABSLGA-LMKMVOKYSA-N 523.416 6.708 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCCC(C)C 38684351 PKNJFIAFQUSOQH-NDEPHWFRSA-N 516.569 6.087 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 38700540 WCAJKAHVDBBJRQ-NDEPHWFRSA-N 524.573 6.284 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 96572353 BDTPACHQOZSPKC-VIKJLPPFSA-N 509.400 5.813 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1 97915141 FWSQOOZIYVLQKW-LJAQVGFWSA-N 513.122 6.446 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1CSc1nc2ccccc2o1 100185307 FSAKDEUZOBQNEX-FZPRHHONSA-N 601.084 6.564 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1 100452666 LQWVYIYZCAFUSG-CHVMBPBASA-N 546.259 5.755 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C[C@@H](C)O1 101013818 VERWNHHSYSJYHR-LHZDPGHSSA-N 578.698 5.288 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 101034289 WHVRWIWOUDCNIN-UDWIEESQSA-N 550.552 5.906 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113198 XCDYQOVSNXVOOR-WPWMEQJKSA-N 546.219 5.231 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101340423 GSFXAXJDZXMFLU-CVKSISIWSA-N 506.512 5.610 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCC(C)C 101374406 ZYFMJWSZZHGMEQ-JCOAXYOVSA-N 556.659 6.444 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378880 MPZASWNUFLQZRP-WYOOIXGGSA-N 560.650 6.728 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101380919 OVQMNVBKMUOCEL-GDLZYMKVSA-N 605.449 7.548 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386841 JZNIYZDLSZVVJC-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387018 HGEHCWKQWXOXRN-GDLZYMKVSA-N 540.522 5.990 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390805 MKULFLIAUKKEDQ-XMMPIXPASA-N 599.923 8.478 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1Cl 101391044 WVJDWKFRPIPXJE-DEOSSOPVSA-N 543.834 7.263 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)oc2ccc(F)cc12 101391515 UROAODSNFGWGBX-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 102924580 FDPBGEIUAYUQLO-FOWTUZBSSA-N 513.616 6.428 50 10 KKGE COc1cc(/C(C)=N/NC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1 103562717 FZFKDFVQZSOBBY-JEPNHJGPSA-N 592.479 6.753 50 10 KKGE COc1cc(C)c(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C(C)C 103743891 JAHFJMNZVFNTNL-NVEWRSJMSA-N 552.331 6.316 50 10 KKGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 103796167 YOHJICHVKFAUPF-VTNSRFBWSA-N 550.442 6.465 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1 103878431 CCFZWRRXKVSFGL-KVSWJAHQSA-N 592.671 6.963 50 10 KKGE CN(c1ccccc1)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 105421903 PSTGHGLNFKDXBI-TWKHWXDSSA-N 533.053 5.454 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150424672 CYOHBMAPDQKJDF-SFHVURJKSA-N 628.679 6.943 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432844 VGBHXBFVSYHGCM-ZCWHBTPQSA-N 659.566 8.125 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463254 MLDXFQCOHPZAFI-GDLZYMKVSA-N 672.348 8.334 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 164699910 KULYGGJQCCHWRP-CJLVFECKSA-N 675.308 5.731 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 214240501 SPEMXDYJFFBAAK-BRPDVVIDSA-N 536.676 6.809 50 10 KKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217240193 GBDIHABUAHBPEY-PNHLSOANSA-N 522.649 5.397 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc2c(c1)CCCO2 232453718 HDJWEFUQZFDQNU-MRXNPFEDSA-N 507.991 5.863 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 232561145 LMOXJMIGSRNQAM-AWEZNQCLSA-N 514.064 6.897 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(Br)sc1Br 236030421 WOKIIANVMDQOFH-JTQLQIEISA-N 524.297 7.126 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(Br)cc1 252627268 RQEGTLLNRQJDEV-QGZVFWFLSA-N 569.916 5.926 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccc2ccccc12 254397672 GXYKUBCLNXLDAO-UHFFFAOYSA-N 533.701 7.018 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)c3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019858 IRVGACADJNKHAF-WBYFRWOPSA-N 883.930 8.869 50 10 KKGE Clc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 380024455 UXHZOJZFFXHKLZ-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE COc1cc([C@H](Br)c2scc(Br)c2Br)c(OC)cc1Br 707833984 GTLTYPHYIHTJCO-NSHDSACASA-N 549.904 6.537 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 1083964282 AFHCFQDZSMXGDB-LICLKQGHSA-N 536.242 7.824 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084032770 BMQIYQXEMQLGHU-UETOGOEVSA-N 536.528 7.594 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084137144 DZNXSYNNTNZJAG-RUZDIDTESA-N 589.914 6.443 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N 1084280072 IKSXLTCXBAIINI-CIAFOILYSA-N 567.270 7.481 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084362694 XBOGAFGQODFFCY-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084430059 UMUDXPFLHWWYTM-UHFFFAOYSA-N 646.946 5.071 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1 1084439869 HCIINXORJDNUII-LICLKQGHSA-N 532.221 6.889 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084532471 KAKNFAVGPZHJJI-UHFFFAOYSA-N 588.833 5.775 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084549530 KBCVDMQGWUWLBO-KOEQRZSOSA-N 586.917 7.090 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084560601 GMRSAAUMPWDPDP-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 1084628217 AHPHBVPHJSLJBG-HSZRJFAPSA-N 511.416 5.309 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536937 DFUXHMHWOWANRY-ASKVXKKHSA-N 567.836 10.525 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653472 HZLABPFQGLRZFV-JPNRISNCSA-N 560.517 6.370 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@@]4(C)CBr)CC[C@@]1(C)C(=O)[C@@H]2Br 1772721798 SNRXUXZNCDKRMT-UGGWWOJTSA-N 503.275 5.266 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3F)CCC4)ccc21 1772743853 KFDZKCIRALLXGC-UHFFFAOYSA-N 522.580 6.578 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772748775 NWKVBNUJDZBBKY-UHFFFAOYSA-N 521.617 6.228 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687983 GCXWGBCYLGHSIP-MHZLTWQESA-N 527.024 5.936 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694981 HCNSVGQOGWTCTP-QFIPXVFZSA-N 509.404 5.213 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696176 XXTZVRBMCFIBTK-MUUNZHRXSA-N 524.596 5.747 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697462 TWWBTODVJZWFQX-NRFANRHFSA-N 543.849 5.866 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704620 ADYWXHBJDXQCLL-HHHXNRCGSA-N 538.579 5.469 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866660048 OBXQXCDLPUVAJS-SANMLTNESA-N 560.676 5.962 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866687508 GBMRNLSUIQCCLQ-XZWHSSHBSA-N 564.667 5.273 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H]1C 1868207033 DHULSRUQXHDLQT-VXKWHMMOSA-N 502.688 5.320 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)[C@@H](c2ccccc2)c2ccccc21 1868414574 NHLPOWRPUNUYTI-YTTGMZPUSA-N 574.153 9.001 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@H]2Br)c1Br 1900361597 IDQPKVUTFPNEEF-TTWOZLTLSA-N 500.225 6.224 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(I)c(Br)c2)c1Br 1922912440 NEXBNMGISFLTIP-SNVBAGLBSA-N 629.775 7.433 50 10 KKGE FC(F)Oc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072194 NPSQKVQCEHXZTB-QMMMGPOBSA-N 511.407 7.012 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1c(Br)cccc1Br 1925546224 NFLUDBPAASHYBE-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2050467360 LBXXXFFUUCKREW-MRVPVSSYSA-N 500.385 6.936 50 10 KKGE CC1(C)c2cccc([C@H](N[S@@](=O)C(C)(C)C)c3ccc4ccccc4c3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080780063 INPFKBHUCNWXCW-WEWOUDSWSA-N 653.828 9.171 50 10 KKGE Brc1cccc([C@H](Br)CCc2cccc(Br)c2Br)c1 2113488944 JLIDKWXXKYWESR-CYBMUJFWSA-N 511.877 7.043 50 10 KKGE CC(C)[C@@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121070483 NUGJEMAKHVOQFJ-LLVKDONJSA-N 563.857 5.489 50 10 KKGE COc1cc(F)c([C@H](Br)c2scc(Br)c2Br)cc1Br 2138149171 XHWKEGYTRJKJEX-JTQLQIEISA-N 537.868 6.668 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2sc(Cl)cc2Br)c1 2172409658 XDUSSXNFRDSWSR-JTQLQIEISA-N 513.398 7.430 50 10 KKGE FC(F)(C1CCCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394926 KLASOKGOFMNJEL-LBPRGKRZSA-N 560.296 7.842 50 10 KKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273252 SLWLDXPQRQHGGN-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1Br 2225634218 NLTJZZHXXUDXCS-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509299 CEXSNKUKCLGRDV-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 2293198260 NUUABPCWMGXSBV-QHCPKHFHSA-N 542.875 7.020 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198404 IBOJOJXKNCSZBK-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 2297412372 QMBKOZDYTYWPCF-UHFFFAOYSA-N 648.941 6.620 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2314482230 CPOXJGZKAIDLAS-SSEXGKCCSA-N 513.557 6.496 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314616524 CPQVRWIRUPHHLY-UHFFFAOYSA-N 542.639 6.081 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314617904 CVKTVDLQHKSHDV-NDEPHWFRSA-N 550.659 5.735 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1sccc1I 2316669181 ZLLNNHNUAVHIGM-LLVKDONJSA-N 500.037 5.912 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340065245 KAKQOGZTQURJGB-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1Cl 2363272860 ILESYYPCHDMXPQ-CQSZACIVSA-N 505.472 7.502 50 10 KKGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O)=C\c1ccccc1 8384839 MMPCNKKUDUBXJX-SHJSPKJUSA-N 583.280 5.785 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38650777 RZKCYAFKUGAHJF-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38656089 CXQBGESDRPPQRK-VWLOTQADSA-N 509.389 6.610 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38660153 KMTPSIZYZXABSX-PMERELPUSA-N 520.585 6.465 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 38685296 IOFNSTYJOFCDQD-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38685509 PGQTVYBIIMGEIX-HKBQPEDESA-N 526.633 6.582 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 38686856 HEVDMPOMWZXYHP-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38688114 JPOHDSKLIDPEGK-NRFANRHFSA-N 503.923 5.900 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)c1 40529999 QRUVNGKPLDCBBC-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1COc1ccc(C(=O)OCC(C)C)cc1 97997758 HFDZEPCXYROZAN-ATZGPIRCSA-N 587.500 6.703 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100189837 QOIVAVRAZNKNDL-UHFFFAOYSA-N 556.295 5.600 50 10 KKGE COc1cc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)cc1Cl 100331439 JHHYLTRQKAPNJG-RAXLEYEMSA-N 544.814 6.326 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1Cl 100336295 UDIJPTBYOQUGOD-JAIQZWGSSA-N 525.830 6.853 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@@H]2Br 100848490 NDQJQWVKFXJELT-YGOYIFOWSA-N 584.190 6.901 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 101012157 AEIVYHZYOVGGEI-FSGOGVSDSA-N 566.082 7.419 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246483 SMMVKIOSUIFSCY-OMBWOSJFSA-N 586.035 6.995 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101293514 XUKYIPJKHNKRHX-HKBQPEDESA-N 548.570 6.407 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101366474 LLWHJBSBTUOLOF-VWLOTQADSA-N 527.360 5.213 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376421 OMANYHPYRRGTJT-UVDDSOTQSA-N 540.660 6.970 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387057 HWDTYHNDTQESQV-IAEXUVPISA-N 583.015 6.904 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387606 ZTGUEQYOVYLSTI-GDLZYMKVSA-N 618.429 6.927 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387996 VYASMPYSYSTISD-UUWRZZSWSA-N 576.649 6.348 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388350 IHWXAWYMZBWVFY-JGCGQSQUSA-N 601.486 7.337 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)cc2)cc1Cl 101390750 SRWIJNCSVVVCAO-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 101395000 AXRGEKNWXYWEFC-RUZDIDTESA-N 531.033 7.171 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101615015 QPGKQRKLTYGLGE-XAZZYMPDSA-N 523.405 5.229 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 101680485 QMTRRGMBNMYYFE-VMNYOPPHSA-N 554.643 6.115 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Cl)c1 101727406 PNTBTTKZQRFIPI-VFLNYLIXSA-N 558.512 6.947 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 103003424 STXUEXBIIWLYLK-JZQBQCRLSA-N 553.423 5.170 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccccc2I)cc1Br 128780888 SAWHKHYFJMIKSF-CQSZACIVSA-N 544.850 6.609 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCCOc1ccc(Cl)cc1Cl 150416335 JDZLIBJXPBRLOC-UHFFFAOYSA-N 678.441 6.344 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 150422150 WVWHCGDNKRMBRJ-UHFFFAOYSA-N 649.405 5.671 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(I)cc1 150429369 FOBIOHPNEZVFIO-ZTCOUNKMSA-N 677.377 6.724 50 10 KKGE Cc1nc(C)c(C(=O)N/N=C\C(Br)=C\c2ccccc2)cc1C(=O)N/N=C\C(Br)=C\c1ccccc1 198693817 CEPYDOYAERUNKT-KFOXCSBGSA-N 609.322 6.002 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214360308 HUWSSNRZIPYGFO-RHANQZHGSA-N 534.660 6.417 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 252610020 HYAGGROAYXSWTE-KKSRFHAZSA-N 629.544 6.980 50 10 KKGE O=C(NN=Cc1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254311805 MOCHQVVFAXBKEW-UHFFFAOYSA-N 500.642 5.529 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(OC)c1 254483792 NLJZDRVESHKCOZ-UHFFFAOYSA-N 510.666 5.243 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]34OC(=O)O[C@@H]3C(=O)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C4(C)C 504395054 IAVYJZKSOXQISM-LDJDCTJNSA-N 740.875 5.043 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Cl)c(Br)s2)c1I 721672229 KRECXTMZWDSGIO-SECBINFHSA-N 510.391 6.392 50 10 KKGE Cc1sc([C@@H](Br)c2cccc(F)c2I)c(C)c1Br 724927072 DYPQDTKXQBICRL-NSHDSACASA-N 504.000 6.355 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 725435775 DHDRRRYFHUXQHU-UHFFFAOYSA-N 644.741 6.579 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1082754832 NBJRFADZXIXCDP-KWVRLRHKSA-N 672.642 5.353 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1083893692 OHKOUHWCMLXSAN-ODLFYWEKSA-N 679.252 6.491 50 10 KKGE COc1ccc(C(C)=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1083969949 ZQKPDLDXZHTELC-UHFFFAOYSA-N 506.194 5.293 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084010418 KSNOEGKZPUOMSD-DEDYPNTBSA-N 538.387 6.763 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cc(Cl)ccc1Cl 1084012806 YSKDUZKNCHGFGW-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(F)c1 1084157636 IKMKTRRHUSQDME-WSDLNYQXSA-N 609.439 6.155 50 10 KKGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084216895 OLOCKYUKUXSJCV-VZUCSPMQSA-N 563.029 5.616 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC#N 1084630160 KUDFVNHBKINNSQ-UHFFFAOYSA-N 512.997 6.171 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 1772755190 TUYFZLQVEHVCOR-UHFFFAOYSA-N 651.435 8.100 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1O 1865684404 PWIVIQIQBAQKQP-NRFANRHFSA-N 515.367 5.234 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688865 CUMVYSMMOKKGHJ-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OCC 1865688943 FZBZJFSYSRGUGR-MHZLTWQESA-N 540.595 5.762 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865692056 IKTLGATZEIAEIJ-JOCHJYFZSA-N 553.457 5.654 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865694434 UYNBXLZLNOATLC-MUUNZHRXSA-N 541.051 6.343 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698281 PIHUWIREKKKOBI-XMMPIXPASA-N 512.953 5.191 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701351 SVWQZIQKQFPFLU-MHZLTWQESA-N 561.469 6.606 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703048 LQDLFGYNLRPMGS-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704268 RMLUDAQYMATAFD-AREMUKBSSA-N 531.443 6.598 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)c1OCc1cccc(C)c1 1865706434 WOLMBNWBPQHUPT-DEOSSOPVSA-N 564.539 6.204 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710082 NUKOUPBHJOOWDH-HHHXNRCGSA-N 565.586 5.121 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866649665 XGVRUCYUTKNEAU-SANMLTNESA-N 510.619 5.440 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866781198 OTNWIABXUNJATK-WDYNHAJCSA-N 557.622 6.132 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 1872781240 ZWFLVBJFCNWKMA-YBFXNURJSA-N 513.457 7.141 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 1872781614 MDOZWEDLBKZTKZ-XIEYBQDHSA-N 503.668 5.936 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 1872793325 URISPMHGDZRAFU-CJLVFECKSA-N 504.696 8.148 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCc1ccccc1 1872795223 ULCZJFAWNGKHGV-XQNSMLJCSA-N 504.611 7.624 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)sc1Br 1922940021 KARODOAPJGFFBV-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049040 JQWAXTFRJWZTIH-ZETCQYMHSA-N 528.285 7.075 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(I)sn2)s1 2007648618 XPWABUUEYZAIHV-VIFPVBQESA-N 509.026 5.202 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2030217345 DGEHSYCRYSMVJB-CYBMUJFWSA-N 517.906 7.082 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=CC=C3N(C)c4ccccc4C3(C)C)c2C)c1 2053622263 SBCORFPXYNZTNE-UHFFFAOYSA-N 537.616 5.612 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2csc(Br)c2)c1Br 2081069691 COOKXGAHATTZQO-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2CCCC2)c1Br 2085493319 AMZLRAMFAJDWKQ-QMMMGPOBSA-N 568.767 7.753 50 10 KKGE Brc1cccc([C@H](Br)CCc2c(Br)cccc2Br)c1 2113489046 KLDLKJFAQRLYTD-CYBMUJFWSA-N 511.877 7.043 50 10 KKGE Clc1sc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Br 2115941782 DKSVRFSLFNOPPT-NSHDSACASA-N 534.438 6.188 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccccc2I)c1Br 2136378431 CVHPOTSQBKZTME-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3scc(Br)c3Br)cc(Br)c2O1 2146616952 VBINVIWUALRSFV-KGFZYKRKSA-N 545.916 6.843 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)cccc2Br)cc2c1OCC2 2150503015 HFAVLQCLNRNPNS-CQSZACIVSA-N 525.860 6.393 50 10 KKGE CCc1occ(C)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396786 AZNKXJWZAPTYBW-CQSZACIVSA-N 550.310 7.529 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399955 NKQMSMMXFSQWMV-ZYCKWHBGSA-N 594.805 7.855 50 10 KKGE Cc1ccc([C@@H](Cl)c2ccc(Br)c(C)c2Br)cc1I 2224624334 AGXVJODFDISJRF-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2232159767 ASANJSOGGHVVNW-MRVPVSSYSA-N 528.318 7.912 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c(C)c1Br 2235602745 FEBIDIUVUUDHJT-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263450015 HEAYDQXVGYOGJD-GFCCVEGCSA-N 517.906 7.023 50 10 KKGE CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C=C[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@H]2Br 2293438636 KCHBNJFXKOPVID-KPXNPKDVSA-N 616.026 6.115 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1 2294193406 MOCMVEDKBHFPHW-UHFFFAOYSA-N 511.405 6.915 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C(C)=O)c1C 2297467532 PGMPPCJHJNXEBI-UHFFFAOYSA-N 506.436 6.843 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1 2314531693 CUAUYNOBIYEHTP-UHFFFAOYSA-N 501.340 5.103 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592501 VQUZIAZFSVLUKG-VWLOTQADSA-N 566.510 7.190 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593306 KZZZKOQYWKFQQO-WXTAPIANSA-N 566.510 6.696 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314618180 IQPMUTGEWCPQPU-UHFFFAOYSA-N 607.110 6.791 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314618369 MCVPYKIATFVQSU-UHFFFAOYSA-N 552.675 6.042 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634314 BLKVIPMRYBNBPZ-LJAQVGFWSA-N 510.546 5.106 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 2314646680 JCYSHCDHJWYANH-LJAQVGFWSA-N 662.768 5.560 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)cc1 2314646878 SPOJRWHLUJQIJF-WJOKGBTCSA-N 690.822 6.198 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)(C)C 2314755114 TYUIQZLPLKPOJO-UHFFFAOYSA-N 502.567 5.184 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)N(CC)CC 2331416075 NBSKFZVHWQZTGF-UHFFFAOYSA-N 506.584 5.428 50 10 KKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1cccc(OC(=O)c2cccs2)c1 3013973 FVOPNTYEHPZRNU-IBGZPJMESA-N 519.380 5.338 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2nc(-c3ccco3)cc(C(=O)N/N=C/c3c(F)cccc3Cl)c12 3354387 IULLLBUXQFEBEY-VFLNYLIXSA-N 508.340 6.199 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 12492017 DTOVOLWFVKCYPH-UHFFFAOYSA-N 514.409 5.383 50 10 KKGE C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2C(N)=O)C1 33560002 MIXDNBVPUFKCTR-OJLMPMFISA-N 510.959 5.339 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813689 KTLILVPNPBCBHL-VUTHCHCSSA-N 504.801 6.579 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc(Br)c1 59471815 GWVNUIUTPQUVOC-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1OCc1cccc(Br)c1 96095896 GIALAFJVXJRPKF-FDAWAROLSA-N 509.403 7.098 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1OC 97914971 YUAPDXIEIRGFRR-PDDLMNHVSA-N 541.132 6.509 50 10 KKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cccc([N+](=O)[O-])c1 100061988 IOAQIRSOGNRGDI-FSJBWODESA-N 521.165 5.192 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Br)cc1 100141812 PUFASCBMZOUJLS-FJLJVCJUSA-N 560.286 6.063 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 100235366 CHXYDSAHENNNKA-DXTDMJPYSA-N 624.359 7.096 50 10 KKGE COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1OC 100301641 ILUOLTJSYZEOCA-MUFRIFMGSA-N 548.393 5.743 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243628 NLNKBJGXFOIJJU-BYSUPNKMSA-N 552.483 6.306 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1 101333297 SPSQWFSLWQZBPO-ZXVVBBHZSA-N 506.606 5.887 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101337580 LTQZBIUEOGDXAI-OQIVHJAPSA-N 556.666 6.928 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101339366 NBJHUPUHVSMJDA-PCLIKHOPSA-N 587.072 6.170 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379502 XCBPJKIABZVPLQ-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383977 LPIJYIFLFXRRDQ-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1C 101384388 FUIUKHWQEISASI-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1Cl 101391471 HBAVZTKTOHARNG-QHCPKHFHSA-N 574.258 6.982 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101394840 ZIELTABTRDDYHC-PMERELPUSA-N 570.617 7.285 50 10 KKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 101405813 HIYQFLTYJLUGJH-DNMSLHDBSA-N 602.716 5.381 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2cccc3ccccc23)c1N 101531850 GMHDYMQFPGLXIN-UHFFFAOYSA-N 518.750 7.862 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 101727031 GWWXGDDABRJLGQ-CCVNUDIWSA-N 552.519 6.702 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 102667326 FAWBCNBJJNIXBQ-HKCIZPCWSA-N 536.484 6.984 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(Br)cc1 103748018 WSVIQJLACQHBAJ-AMVVHIIESA-N 558.310 7.086 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1 103887838 CQJSZXIXCCNRBP-OYKKKHCWSA-N 527.418 7.044 50 10 KKGE CCCC[C@H](CC)COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 196303007 GBXUVXOGJJQZOR-QLKFWGTOSA-N 786.977 11.279 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 196520326 GEYKFJRDKMXPMQ-LBJNWUCPSA-N 702.964 7.691 50 10 KKGE C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 198035131 CPXPPNIUDAIOKT-UHFFFAOYSA-N 702.533 6.511 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1 252627300 RRDLGELOBGTQTL-UHFFFAOYSA-N 549.096 5.131 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OCCCCC)cc2)cc1 254396737 CEIHRZBJMVRYAS-UHFFFAOYSA-N 522.690 5.985 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1 254499405 YBEVYVBVWLCDDU-YGFBDISVSA-N 534.041 5.426 50 10 KKGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254519813 FABLUJXXYUNLPW-UHFFFAOYSA-N 522.677 5.541 50 10 KKGE CCc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254814002 RSSDDJSIEIFQMH-UHFFFAOYSA-N 530.628 6.210 50 10 KKGE Cn1ncc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1I 379229464 YQZMSJGWSFXAOX-LURJTMIESA-N 529.945 5.352 50 10 KKGE Cc1cc(C)c([C@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 380454087 QIFKHICHHLXBJO-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE CCCC(C)(C)OOC(C)(C)C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 504052333 MQGVLLQFFLTSOQ-RUXIFCAYSA-N 558.800 7.572 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)[nH]c(=Nc4ccccc4)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 504203690 JDTKCDCRSRWMSD-PZWXIZEVSA-N 701.150 8.274 50 10 KKGE CCCC[C@](C)(C/C=C/[C@H]1[C@H](CCCCCCC(=O)OC)C(=O)C[C@H]1O[Si](CC)(CC)CC)O[Si](C)(C)C 504210182 SNUSPEKJEHUDOM-HZTGOLFRSA-N 568.988 8.842 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@@H](O)CCCCCOCc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504222443 WAZIOJYYGXJHLC-PLJDCMBSSA-N 616.919 8.022 50 10 KKGE in-vitro CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627078 KIELDCCFMKNOOM-DHWZPXOMSA-N 968.182 6.765 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616686662 NPFWOECTUQJETF-MHZLTWQESA-N 508.760 6.613 50 10 KKGE Clc1cccc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 721571622 HBYHLRMTCYWLAW-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE CC[C@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2C)CCN1 725238980 UTNAGCFSUSKPIC-RXFWQSSRSA-N 512.075 5.372 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 725380874 XDTOIMBJWVVYCQ-XMMPIXPASA-N 589.870 5.742 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1Cl 1083900058 LPRZDJBTCVPFFV-XQNSMLJCSA-N 580.910 6.336 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(Br)cc1 1083949724 HHPXVYZWMMMYPU-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1C#N 1083951092 DYGQTYZEPWLMGI-NHDPSOOVSA-N 502.368 5.762 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(C)c1 1083954549 OPSZCNSUUMZADU-KOEQRZSOSA-N 560.492 5.991 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084102206 WNDDHLHSHSCYHV-UHFFFAOYSA-N 649.235 5.850 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084387077 ZQSSJTIKPGVTPI-GOSISDBHSA-N 569.522 5.508 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccco3)c2)C1 1554268791 KGVRIJLZZDAGJT-JPDUQLBUSA-N 569.687 5.022 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 1772760455 NXNXKSDZPMLNQA-UHFFFAOYSA-N 539.455 5.546 50 10 KKGE CC[C@@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1848353109 KASDHRXLYQOAKZ-QSOXGCDYSA-N 810.466 5.719 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848703403 JTGHSJQVBHQKPC-KSXCXXFCSA-N 700.725 12.051 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686644 YJDQKYKUERVLAM-IBGZPJMESA-N 504.215 6.112 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687972 FKLRWKPGTUXFKG-HHHXNRCGSA-N 500.643 5.996 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCCc1ccccc1 1865688199 MXZNRFHPMVCEEA-WJOKGBTCSA-N 572.640 6.586 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865693787 YXMDXTMPMIZVID-XMMPIXPASA-N 553.457 5.748 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865696084 BVMPFAMWISHFID-NDEPHWFRSA-N 536.632 6.262 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705154 NOJMQMIDHSECNS-MUUNZHRXSA-N 555.078 6.652 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705282 QKLSVYOXSRWVOD-AREMUKBSSA-N 506.562 5.271 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705816 GNPDCJPKYDKZRJ-HSZRJFAPSA-N 500.942 5.134 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865706689 CMLMVTYGUSWKGH-XMMPIXPASA-N 515.539 6.136 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707187 QECUJLWQGCWAPL-QHCPKHFHSA-N 532.959 5.332 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707391 VVVCFUSJVJNKEF-LJAQVGFWSA-N 538.095 6.782 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710562 BPJRRUFTDTXBAI-HSZRJFAPSA-N 504.924 5.757 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711994 NEUFCRNNHXXEMM-MGBGTMOVSA-N 572.640 6.755 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714714 OFGOFBLORYXRSQ-INIZCTEOSA-N 527.286 5.139 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867011073 YHJLNEMPWAFRTB-IZLXSDGUSA-N 513.663 5.908 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867098319 HSKLJPSZBRRUIA-AJTFRIOCSA-N 519.642 5.990 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433462 LWWBQAHKNNYMMW-UHFFFAOYSA-N 548.499 7.815 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CC(C)(C)c5ccccc5[C@@H]4C3)n2)cc1 1868527490 BZLQYWTYUWWEFG-NDEPHWFRSA-N 576.726 6.540 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872756688 VUVNOCQOUKPELL-JRXCRPKVSA-N 505.599 6.127 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)c(Cl)cc4OC)cs3)cc2C1=O 1872757218 VGISXURXPPOXQQ-QETBKQIWSA-N 507.999 6.125 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c1 1872792950 ZLFHPHZBAGXPTR-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE Clc1cc([C@@H](Br)c2cccc(Br)c2Br)sc1Br 1943903227 MTCBXZLTKICMFV-JTQLQIEISA-N 524.297 7.173 50 10 KKGE COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)cc1 2059017184 WWRAAPZGUBJJSJ-YXPBDFKQSA-N 538.648 5.339 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2092329815 AOAUVOHJYNCDGN-CYBMUJFWSA-N 513.849 6.467 50 10 KKGE CN(Cc1cc(Br)cs1)S(=O)(=O)c1cc(CBr)sc1Br 2179793200 QKEGYOLYWADUGG-UHFFFAOYSA-N 524.119 5.050 50 10 KKGE CCc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206397847 NJUOHXSRRXAUIF-CYBMUJFWSA-N 590.773 7.783 50 10 KKGE CCCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2206398278 SQFOLOLUYXYGCI-WFEFGEHDSA-N 597.809 6.951 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)c1Br 2206400768 DXNOCTJSDHBMHL-OXSLBIJZSA-N 596.777 6.989 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)s1 2224797039 SPZZJSJTAMGBKY-JTQLQIEISA-N 509.510 6.962 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCCCN(Cc2ccccc2)C1 2234063759 DTAUGGYQCJDUQP-INIZCTEOSA-N 511.689 6.527 50 10 KKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN(Cc2ccccc2)C1 2234074794 OAPADLVRWGYCMI-ZBFHGGJFSA-N 511.689 6.383 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 2235604910 PTBGRJTUKISBPL-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)cc1C 2236016253 QBVVVKIPRZDTCJ-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c(I)c1 2240425087 WKRRJEKUJKSWMV-BJOHPYRUSA-N 528.047 6.103 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(I)sn1 2259996637 XUZGMNWWMUABFR-MRVPVSSYSA-N 573.820 6.035 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 2282894328 OJGGLHWCISDXNX-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 2293752384 FSWITAMKGXHRMA-UHFFFAOYSA-N 528.594 5.149 50 10 KKGE Cc1ccc2cccc(NC=C(C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c2n1 2295934332 CVUUVTDSLXRYKW-UHFFFAOYSA-N 515.392 6.512 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296507162 WLORXAMFVBWXFX-HSZRJFAPSA-N 542.875 7.020 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(Br)c1O 2296790210 WUBCJSAFHUSELX-UHFFFAOYSA-N 560.223 6.220 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Br)cc1F 2297559029 DIVKQPZIDUOWOV-UHFFFAOYSA-N 535.123 6.065 50 10 KKGE COc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=NNC(=O)c3ccccc3O)C[C@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 2297710606 XZIIAFVBBJPEML-HREFQMLDSA-N 636.701 5.144 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C1 2314476124 JDHIFVYHWAXWEX-ZEQRLZLVSA-N 557.720 5.125 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314478461 MPKMYZFJVCORGE-UHFFFAOYSA-N 527.024 5.831 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1C 2314500909 RXHFZZVTJLRDIK-IBGZPJMESA-N 545.134 7.953 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314592796 BVQQROBKBQOKNW-QDPGVEIFSA-N 509.675 6.224 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592850 CUPGNUVQEYCNHO-NIYFSFCBSA-N 516.066 6.206 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 2314717288 YXLTXMZNRJXFRL-UHFFFAOYSA-N 536.378 5.579 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 2314720464 PYPOZASUIOSHTE-UHFFFAOYSA-N 532.080 8.111 50 10 KKGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 2314730915 YKZXUDKLDSMECD-UHFFFAOYSA-N 522.351 5.189 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328835351 VZAVISKPFVROTM-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331340077 QXIBMSWINRTXIM-DEOSSOPVSA-N 511.628 6.174 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 2331362275 QTZBFMDNKXANHC-NRFANRHFSA-N 501.652 6.624 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 2331398377 NFXKLUSSIMGKCA-OAHLLOKOSA-N 509.971 5.104 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2331456672 RFXLBLKQZMRJDG-UHFFFAOYSA-N 525.512 8.338 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2353075090 XHZNIOHBWSTIOK-VIFPVBQESA-N 528.318 8.026 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1Cl 2365186198 OBJDJFFESOWKIX-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2scc(C)c2Br)c1Br 2365227587 HJOUGKHBFQAIKH-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE COc1cc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc(OC)c1OC 3765689 CRHUKCPGDBLGMB-HIWRWHBISA-N 581.576 5.958 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1Cl 38603172 BMMSTALLMGPKOM-HYARGMPZSA-N 500.986 5.594 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 38603414 ZKRBPAAEIBDTCP-OVVQPSECSA-N 508.622 6.029 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38685361 MAFVOAORGAVWJX-AREMUKBSSA-N 523.416 7.000 50 10 KKGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822602 PMRVQITWSACNBO-IWBSIUBASA-N 521.573 5.384 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 100173166 MUERUMATRULDGC-UHFFFAOYSA-N 570.937 5.393 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(I)c2)cc1 100237884 MYPHXSFIZJWQGC-VNIQIGACSA-N 558.416 5.233 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243805 BYTJSUQTVHXEEL-UVGSMNACSA-N 511.647 5.697 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244960 YZFQXDHHKBXBSX-DHHFVULLSA-N 536.484 6.929 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245220 LBRJXSQRFAFDMI-NNHPPCHPSA-N 552.483 6.766 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246724 MBZSDEXOMTZLOB-OMBWOSJFSA-N 517.582 5.298 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 101304944 JPALPMCPEJTGOY-VUTHCHCSSA-N 540.623 6.205 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101338043 WSXBUHPEQKEGLW-OVVQPSECSA-N 529.556 5.282 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367489 VVLSQMWUMFASKP-YTTGMZPUSA-N 562.622 6.500 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc(OC)c1OC 101368711 OJCXAEUSPSYGOO-NDEPHWFRSA-N 530.577 5.038 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373582 HYZDZJCPZWODAS-NDEPHWFRSA-N 569.441 6.383 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 101374459 NQPKHOXJDWIUCF-NDEPHWFRSA-N 533.024 6.745 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 101376118 DAMPVJZVZNCKBP-NDEPHWFRSA-N 529.549 5.222 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378552 QNSGNXJWSUBRLH-VYALOUHUSA-N 528.608 6.719 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1F 101389089 LYUCEFARTGLZQO-UMSFTDKQSA-N 594.639 6.623 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1F 101389120 FVZPDDIFAGMRLM-UUWRZZSWSA-N 594.639 6.568 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101396015 HPECREMLAQRQRB-SSEXGKCCSA-N 577.077 7.144 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccc(Cl)cc12 101398395 BLXLXMFFJGOTTQ-PMERELPUSA-N 597.454 8.064 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602540 CZLFIVCPNNTICW-AWQADKOQSA-N 529.596 7.256 50 10 KKGE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2OCC)cc1 101620058 IWVLNQRIVVIXFE-STZFKDTASA-N 581.547 5.844 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)cc1OC 101702185 DMQKVTQRVCEKFH-HYARGMPZSA-N 532.593 5.411 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741652 SZCOGIGWMJQYCB-KVHSSYOWSA-N 573.299 6.821 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1C#N 103797543 KSYVZXRVKNWPDH-MYBYBSHWSA-N 594.715 7.795 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 103880477 QLAVLEBDEQQMPT-KVSWJAHQSA-N 602.235 6.008 50 10 KKGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104988841 ZKOFVNQBFTXVPM-JVCXMKTPSA-N 538.417 5.838 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N/S(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@@H]2Br)cc1 150401501 FLELJGYJBJTRIZ-VDCYJPBLSA-N 624.376 5.200 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 205665815 LHOXQOCSPKVJOI-BKCRTMBUSA-N 544.607 6.420 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 214241652 RLLFYLPAUNBQLD-IMRQLAEWSA-N 508.622 6.029 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214332907 NVDJCSLBFBCHFV-WJEWCYQASA-N 631.758 6.067 50 10 KKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214344334 BLMXWWYVNFREEP-YQUKCCFRSA-N 510.565 6.157 50 10 KKGE CCCCCCCCOc1ccccc1C=NNC(=O)COc1ccc(I)cc1 252641878 ZHJNMCMSFCDOLS-UHFFFAOYSA-N 508.400 5.560 50 10 KKGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254292980 VMKPYRARDDZSLL-UHFFFAOYSA-N 706.796 6.863 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 254297832 UWTXTRFMQCBRRY-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccccc1C#N 254448473 KFPLMQFBSSJCBR-UHFFFAOYSA-N 526.471 5.156 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc(OC)c1OC 254448481 HEXZPBCWLZMMHO-UHFFFAOYSA-N 609.708 5.782 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254491109 GIARFOZYOUFPRR-UHFFFAOYSA-N 560.585 5.899 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 254616154 DKCGQHVRJSLJDM-UHFFFAOYSA-N 502.618 5.651 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=C/C=C\c2ccccc2)n1-c1ccccc1 254631825 QPVYKWIVQROQOE-ZMFFBAPDSA-N 622.536 6.088 50 10 KKGE O=C(OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 255999262 RITGYQZMPNVVEG-OFEGBEERSA-N 637.666 5.348 50 10 KKGE COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3C[N@@+]1(c1ccccc1OCCBr)CC2 256434770 NPSIQLUTTDUDNB-WBBHLRKXSA-N 555.489 5.856 50 10 KKGE CCCCC[C@H](/C=C/[C@H](O[Si](C)(C)C(C)C)[C@H](C/C=C/CCCC(=O)OC)[C@@H](CC(=O)NCCC)O[Si](C)(C)C(C)C)O[Si](C)(C)C(C)C 256881016 PNHUVPQEWLEWQB-SFZAGKOESA-N 742.320 10.946 50 10 KKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O 261501427 GVDGCOQYLNQNKJ-CIADCKFFSA-N 521.441 5.126 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 311134731 KCWKHTMHNHEIQJ-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083818328 AUHUBWQSDUBDNK-MQZWXTIWSA-N 602.882 6.424 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1083972600 MXPBDSHTDDTLKO-XMMPIXPASA-N 657.332 6.548 50 10 KKGE CCOc1cc(C=NNC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1 1084398655 LGEREZOITDQZSZ-UHFFFAOYSA-N 500.368 6.030 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 1084519853 AMAOOQKWCBESOQ-UHFFFAOYSA-N 517.969 5.927 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc3ccccc3nc2Cl)[C@@H](CI)C1 1614693541 RAWJTAZUSMWKGJ-HKUYNNGSSA-N 506.771 5.675 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773637 WBUHPAHBCMHESO-FOXVXEDHSA-N 575.039 9.815 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751316 NLIHCUHXPJKDEO-KRWDZBQOSA-N 510.569 5.727 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 1772755237 WJQWVDJLJCRSCP-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(Br)c1 1772756163 MLSOEISWEMPRIW-UHFFFAOYSA-N 545.861 6.172 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687952 DXFQPQBCEZDIHZ-AREMUKBSSA-N 501.546 5.323 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865690916 DYMYMFJOAYTKEY-GDLZYMKVSA-N 534.660 7.034 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865692203 CHUSNWGIUZFFSL-NDEPHWFRSA-N 550.659 6.239 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692396 FJVGYSYDZPYGNI-LJAQVGFWSA-N 541.611 6.049 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1O 1865695792 HHIYUTZHIZOOGK-NRFANRHFSA-N 515.367 5.234 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696464 NJKMGYUZZZFSKJ-AREMUKBSSA-N 555.506 6.986 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701481 WMSUYNQTYHFRGT-SANMLTNESA-N 517.416 6.344 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccccc1 1865705353 SXRSXARXRLOZTG-QHCPKHFHSA-N 564.495 5.535 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714759 PRFURBJZKKJTCK-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE C[C@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866713395 DGYTWVRZUFEMIR-KBMIEXCESA-N 524.111 6.464 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)n2)cc1 1868544616 IHTDWQGHXSSKOM-NDEPHWFRSA-N 578.717 6.843 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(Br)c(OC)c(OC)c3)n2)cc1 1872747783 UACGBTUICQVMSX-ZBEPDSHMSA-N 513.413 6.495 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1872754393 QOTRNUDKLGHGTG-JZJYNLBNSA-N 514.390 5.995 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 1872755552 SPVKUWLOYWFKSC-GBWXISRYSA-N 503.624 5.798 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@H]2OC 1903846639 KASDHRXLYQOAKZ-XHOVXLNNSA-N 810.466 5.719 50 10 KKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)c1Br 1915176209 HKBKXBKBBFLONY-INIZCTEOSA-N 507.313 5.492 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)cc(Br)c2)c1Br 1922896778 IBEJKVOYMGGINF-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1Br 1922943128 VBTRQGVYKKPECS-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049039 JQWAXTFRJWZTIH-SSDOTTSWSA-N 528.285 7.075 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065955 JSNUGVMNQMGAIF-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE CC1(C)CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583366 JEHRMVSYCKHKCM-XPUUQOCRSA-N 509.927 7.298 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2052451088 OOWFDGUCRUZXCN-LLVKDONJSA-N 538.324 7.482 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCC 2053510332 DJWCCEILKJERKL-UHFFFAOYSA-N 541.729 5.196 50 10 KKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br)C(C)(C)C 2059265035 ONZJFMRZZBCRBF-ZDUSSCGKSA-N 509.329 6.031 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCCN)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2086909855 ZCQHUBKZVVXRHP-FTZVBZPOSA-N 974.226 9.536 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2089724391 BZIACHXBOPXQEJ-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE FC(F)(F)COC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471786 WBWAHXPJAMKASJ-LURJTMIESA-N 598.671 6.752 50 10 KKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1Br 2201068494 GNHKDBMNRWVEID-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cl[C@@H](Cc1ccccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206395885 QRBZORGCUNEKPV-NSHDSACASA-N 611.191 8.022 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ncsc2Br)c(C)c1Br 2220149474 BSINZRQRDBMXEK-JTQLQIEISA-N 518.894 6.532 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)c(C)c1Cl 2224305649 URIWMBYBDSLDTA-NSHDSACASA-N 552.351 7.790 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)s1 2233033669 QCIHOKHBDLJILU-ZDUSSCGKSA-N 547.932 7.056 50 10 KKGE O=C(c1ccc(Cl)c(I)c1)N(Cc1ccccc1)C1(CBr)CCC1 2248260577 OJSFVUJFTZESFT-UHFFFAOYSA-N 518.620 5.905 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)c(I)c1 2268283238 BUWZLLBFRCPAGM-XLKFXECMSA-N 515.414 6.342 50 10 KKGE COC[C@]1(C)C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2269314299 SJTDBNDQODKFNW-GBRJYTSESA-N 540.315 6.689 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(Br)c1Cl 2283556242 XATKFEIAWRBOIX-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2283568710 QIGWUAVTDRPJOG-NSHDSACASA-N 589.707 8.152 50 10 KKGE COc1c([C@@H](Br)c2cc(I)sn2)cc(Br)c2c1CCC2 2284591530 LWIHTPBUGMMRJJ-CYBMUJFWSA-N 529.035 5.492 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2297458614 KWRGMXJMBZTUJJ-QFIPXVFZSA-N 549.406 5.422 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Cl 2313511168 RGTWBUFSJIRHJW-UHFFFAOYSA-N 572.830 6.695 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521486 RMJWXFOJYPAIEY-UHFFFAOYSA-N 600.325 5.241 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 2313567044 BQDRUWQJRQRSSC-UHFFFAOYSA-N 506.216 7.733 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313567883 OSRUDEVYWARJRF-UHFFFAOYSA-N 611.367 7.319 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313568111 RMWFWRVUHWYIOA-UHFFFAOYSA-N 586.486 5.711 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(Cl)cc3Cl)nc12 2314436972 UTFVHSHPTYBONC-UHFFFAOYSA-N 601.450 5.446 50 10 KKGE Cc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(C)c1Br 2314445531 RGQOYAJUQBUYNJ-LJQANCHMSA-N 545.134 7.953 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593748 SEXJYDGCBZHKEU-DJUQAAIZSA-N 553.728 6.732 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314611242 RIWVRTSDWYJAFN-UHFFFAOYSA-N 599.757 5.742 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314616706 HWINHCWQSCQZMG-UHFFFAOYSA-N 516.638 6.236 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 2314617096 QPBQYEJKQDRHMH-UHFFFAOYSA-N 538.623 6.392 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314621102 YYBNHOIDSDEFBQ-UHFFFAOYSA-N 572.665 6.172 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1OC 2314634565 IYGBDQWKGGCGNO-MUUNZHRXSA-N 510.590 5.838 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 2314737540 UXZLCKSFMUGGRW-UHFFFAOYSA-N 502.567 5.102 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331362709 NEPNSRIACWLCTP-ZBFHGGJFSA-N 514.434 6.528 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)sc1Cl 2339649784 YURLWHJGRZQANO-SECBINFHSA-N 511.863 7.512 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1Br 2339674097 HWXJMAVBKZBGLJ-SNVBAGLBSA-N 535.896 7.276 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(C)c1Br 2343562676 FWORWUVQNGISFA-LLVKDONJSA-N 535.896 7.276 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360426390 KWWHWWHILOEBEZ-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Fc1ccc(C(F)F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2363676059 HZONXDPBNNCOIM-FQEVSTJZSA-N 500.152 7.589 50 10 KKGE C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(OCc2cccc3ccccc23)cc1 20158876 NYRSHHBWOLIYRW-RUMWWMSVSA-N 521.646 5.994 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38656056 HHJAOSRBNOQMNQ-BZQUYTCOSA-N 509.389 6.147 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 38686255 BSELHVCXRBDLPE-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE O=C(NNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40588860 RCOBKRKREXHUCM-UHFFFAOYSA-N 508.460 5.422 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 59305504 WPWVTFQCSGIDPP-KEIPNQJHSA-N 520.032 7.449 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Cl)cc2)cs1 101034260 DUJAJDUUWJAQRI-CXUHLZMHSA-N 523.983 5.910 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101067222 ZTCHEEHLXQGZFR-FEZSWGLMSA-N 585.458 5.563 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245432 KDLYIQDHXDRIJS-VWOOYDPRSA-N 536.484 6.929 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246031 GSYCSXDICBHOBL-IYQUHZLLSA-N 550.511 7.490 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101314716 MDEUDDFOUNPVBE-DEOSSOPVSA-N 549.435 7.210 50 10 KKGE COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101339127 HIVZCKBAHMSVOQ-WSDLNYQXSA-N 525.432 6.506 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 101340528 YRPGDRYCIUHIDX-CVKSISIWSA-N 567.020 6.523 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 101372300 VZFRRXAUGYDUKU-YTTGMZPUSA-N 556.659 6.474 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101373899 NFCUMKILZGEKIA-HHHXNRCGSA-N 529.549 5.610 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376891 ZGAMNUFYWSJTGE-OAQYLSRUSA-N 560.475 5.764 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379834 JCYGCUCPFOQIFQ-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383342 GGAZQKUBCGZWRX-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386292 WWJTZCGEBMQKPA-RQZFFVEVSA-N 601.030 6.658 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389069 FOLSYEYMOGZPGJ-PGUFJCEWSA-N 622.693 7.303 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c(OC)c1 101392180 DSBJLTZJDIWNLE-QHCPKHFHSA-N 553.423 6.663 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101394854 UWHWSTSUONCWSA-WJOKGBTCSA-N 580.681 7.763 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399449 QOYLJXWWMJQTEH-JGCGQSQUSA-N 625.052 7.867 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1c(Cl)cccc1Cl 101712932 OYFXOKWSJKSAJT-IURWMYGYSA-N 594.333 7.304 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C/C3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)cc2)C1 102972398 ZMEDGJVNBBHMPJ-YUINLQPNSA-N 602.801 5.455 50 10 KKGE Cc1ccc(C(=O)N(/N=N/c2ccc(I)cc2)c2ccc(I)cc2)cc1 103749958 LVNMGAYTIULESR-WCWDXBQESA-N 567.168 6.550 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4ccc(F)cc4)c3C)sc3c2CCCC3)cc1 103875526 VPWRPBITHMGIBJ-HAVVHWLPSA-N 552.675 7.280 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 103888319 OXSFYEYVKQHJGV-JAIQZWGSSA-N 583.382 6.031 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCC(C)C 150411290 ZJCSDHYFGJDXEA-UIYSYRJOSA-N 646.769 5.799 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1 150430270 AHJOYMIVKKHDSO-NJUOBVAOSA-N 709.322 5.709 50 10 KKGE O=C(Nc1c(I)cc(I)cc1I)c1ccc(CCl)cc1 154521575 VXIMAOUMJUCRAU-UHFFFAOYSA-N 623.397 5.492 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1Cl 163744385 RHWBHCOZYGCOHU-HYARGMPZSA-N 662.355 6.831 50 10 KKGE C[C@H]([C@@H]1CCC[C@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)P(C1CCCCC1)C1CCCCC1 201336404 BLYORWLXGDDPCI-REDPOVAJSA-N 750.629 12.899 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 214339432 RUCKOZLIZDFDLE-NWUVQHAMSA-N 524.580 6.639 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 214426225 YBQCYJSUDQGGKH-IMRQLAEWSA-N 552.631 5.182 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 254656085 DBHCZXRXNSFUHH-UHFFFAOYSA-N 508.574 6.038 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254835506 ADWBQFHLEBIBEW-UHFFFAOYSA-N 544.563 5.807 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C\c2ccccc2)cc1 254873798 RDDCSOUXWHFOHX-XJXZCAMASA-N 517.427 5.062 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1083998012 VQDLWYAJOZILGV-UHFFFAOYSA-N 592.821 5.677 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccccc1Cl 1084052436 VCHWTURXEXFMGQ-UHFFFAOYSA-N 513.859 6.976 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084265529 TWFJFYQRUMOZCB-UHFFFAOYSA-N 539.032 5.232 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)o2)cc1 1084348366 UPMLSAWETUDWSY-UHFFFAOYSA-N 656.160 7.245 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 1084361960 HHCMNYSYPIKABQ-KRWDZBQOSA-N 503.451 6.602 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1 1084428057 HAUMULBCRKATBA-MTJSOVHGSA-N 538.385 6.041 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1 1084578519 WETRQOJKVPNURI-UHFFFAOYSA-N 683.444 9.049 50 10 KKGE CN(C(=O)c1ccc(F)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)N(C(=O)OC1CCCC1)c1ccc(OC(F)(F)F)cc1 1614325689 QFPMUZBQTHRYSQ-ZEEWMXDQSA-N 630.570 6.560 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750789 LZJHMJOJFDQJQY-UHFFFAOYSA-N 504.896 5.488 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681758 WEPFXXJQBDYPNO-JOCHJYFZSA-N 521.360 5.484 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687677 XSVHOSDYYJSHIK-VWLOTQADSA-N 507.034 5.943 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865687740 ZEQOZAIERVTWRQ-PMERELPUSA-N 558.613 6.543 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865691151 KPGVBKRILQCSCI-HXUWFJFHSA-N 518.923 5.950 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865691435 RZELHPCOJSSUCM-OAQYLSRUSA-N 539.430 5.357 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865697411 RURNHLBGHSWZQQ-VWLOTQADSA-N 547.442 6.860 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701121 MLNHLOJUXPTNFE-SFHVURJKSA-N 564.665 5.927 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865702725 CMVGKVZOXZULKB-NDEPHWFRSA-N 527.024 6.338 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715048 ULTZGJPJQHEOHF-IBGZPJMESA-N 504.215 5.781 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 1866991922 PZQBPKRZTCNYQU-DNQXCXABSA-N 512.462 6.802 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868341972 GHZNTABEYSMKRF-MUUNZHRXSA-N 519.718 7.827 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccccc2Cl)cs1 1872745757 BLVIYXQXRUWONQ-SDXDJHTJSA-N 500.761 5.315 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccccc2Cl)cs1 1872746521 LUZCTEHDECHFBZ-DIZZHNRMSA-N 505.426 8.202 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755259 FNPRVMCKXOPCQP-ATHPHSJWSA-N 503.580 5.331 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OCC)c1OCC 1872756218 UXCSRQPFUAYVGK-ROMGYVFFSA-N 506.668 7.562 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCc1ccccc1C 1872781798 RMTOIDBCMKMZNH-ZVHZXABRSA-N 512.631 7.178 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873496467 TXTYIVVENAFVRT-HNSNBQBZSA-N 528.008 5.378 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2scc(Br)c2Cl)s1 1901024740 ZCIHTQSZVSSFRP-ZCFIWIBFSA-N 532.875 6.968 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1cc(Br)ccc1Br 1905312724 AQOVGUPJTKHJJX-ZDUSSCGKSA-N 516.027 5.204 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914229467 RYTHNPOQOHJNLT-GFCCVEGCSA-N 537.033 5.480 50 10 KKGE C[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924614786 RBAASUMLMDJJDP-UTSKPXGSSA-N 525.926 6.675 50 10 KKGE CCCCC[C@H](O[Si](C)(C)C)[C@H](CCC[C@@H](O[Si](C)(C)C)[C@H](CCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933247609 OLRCGWNXIZTGHI-GCXHJFECSA-N 651.239 9.741 50 10 KKGE CC(C)C(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946434964 QFMYSYSANCNMNT-JTQLQIEISA-N 538.843 5.347 50 10 KKGE CC[C@H](C)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781134 CVHFVVPKCJHOEG-RCOVLWMOSA-N 512.305 7.453 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2F)cc1Br 2113357551 HJOCSINFWUTUIV-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE Fc1cc([C@H](Br)c2cc(I)ccc2F)c(F)cc1Br 2113357695 IRKVQVSSXALRMU-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469305 UNPYISQVHFONOH-BRDIYROLSA-N 584.766 6.988 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141470787 KVULVVFMFXXUEI-LLVKDONJSA-N 597.164 7.874 50 10 KKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2183919271 AWAMDEHPJHRAPC-RSSJWOLSSA-N 555.902 7.297 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(F)ccc2Br)c1Br 2201071858 SHQZSMCDXVYAQT-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Cl[C@@H](C[C@@H]1CCC12CCC2)c1c(Br)c(Br)cc(Br)c1Br 2206398416 UXNDXOZRKFEBTH-KWQFWETISA-N 550.354 7.987 50 10 KKGE COc1cc(C)c([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2207261354 LEZPKXANYNTPEM-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Cn1nc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2226974264 JNUHXBGJPUZUHJ-QMMMGPOBSA-N 646.595 6.112 50 10 KKGE CCN(C[C@@](C)(CI)OCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2231730741 WAQJVGWRKOSODI-CQSZACIVSA-N 503.290 5.432 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232512167 SEWSTZHSRZHLIU-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sccc1I 2260006725 WEKQKBUBZAMLQI-VIFPVBQESA-N 528.381 6.484 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(I)sn2)cc1Br 2278020195 SPRLFMXOHPFUGS-GFCCVEGCSA-N 518.996 5.012 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288346031 VSHVTXZJRBESHV-NSHDSACASA-N 537.793 6.876 50 10 KKGE Clc1ccc(Br)cc1CO[C@H](CI)c1ccccc1Br 2295174413 YOSOYQBLNPCKIQ-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Cc1cc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 2296507146 VPENQAIMVWAXQP-RUZDIDTESA-N 523.593 5.385 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299526779 BDKMRYQIHNLJEW-INIZCTEOSA-N 551.525 7.990 50 10 KKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Br)c1 2301084851 YGUCFPUCJOQTGJ-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE Cc1scc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2303644356 QIRWWEIFNGMINO-IBGZPJMESA-N 531.107 7.645 50 10 KKGE COc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 2313510936 FGWFVKUYDAHDPI-UHFFFAOYSA-N 558.157 5.067 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313556035 JYIUWPGKGYDQET-UHFFFAOYSA-N 544.995 5.973 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313568546 WPCOSUWTJRBSLO-UHFFFAOYSA-N 536.857 5.937 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 2313568656 VTFCWAPBOWMKKS-UHFFFAOYSA-N 665.225 6.237 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2313571292 ROGCGUXDHRUANA-UHFFFAOYSA-N 546.794 7.078 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571507 XYORPMFKAKHGMP-UHFFFAOYSA-N 599.081 7.782 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1cc(Br)ccc1OCc1ccccc1 2314444001 JDRJNRIIXFQQBS-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314610629 KNVLUIWPMAOREI-UHFFFAOYSA-N 525.565 5.094 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314616866 LLTUEFCIMNKKTR-UHFFFAOYSA-N 544.567 5.069 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314617060 QBERFOZAFGRYBP-UHFFFAOYSA-N 527.020 6.419 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618682 RSJALOZWBGLUOO-QHCPKHFHSA-N 506.602 6.326 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1Cl 2314737009 GOTRSUKYJHBUQQ-UHFFFAOYSA-N 515.780 6.098 50 10 KKGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2329652752 CXPXGIQMOKYRMB-UHFFFAOYSA-N 504.775 6.335 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 2331238756 SVTPDKFBUZATIB-JOCHJYFZSA-N 509.587 5.986 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1OCCC 2331293323 WTAOGFDHIQTWED-UHFFFAOYSA-N 512.031 6.264 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402326 PGCFRRFFPIEFJC-FQEVSTJZSA-N 518.019 6.225 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c2ccccc12 2331406384 HJCXRLCBAPOGIU-UHFFFAOYSA-N 520.454 7.959 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331453685 VVXBJRSQGDRSDP-UHFFFAOYSA-N 500.667 8.904 50 10 KKGE CC1(C)CC(CBr)(COCc2cc(I)ccc2Br)C1 2344988517 CQQFZMRVAPIZNC-UHFFFAOYSA-N 502.028 5.772 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365187938 FZSWXXHHPOVIRC-LLVKDONJSA-N 533.859 6.122 50 10 KKGE Fc1cccc([C@H](CBr)OCc2cc(I)ccc2Br)c1 2367602177 QHKLQUALUZVJHI-HNNXBMFYSA-N 513.970 5.846 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3cccc([N+](=O)[O-])c3)c2C(=O)OCC)cc1 33595984 BSVDFPAPNRKRIG-UYRXBGFRSA-N 505.552 5.834 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC[C@H]1CCCO1 35446070 LORKSTUVJCALCV-QXNCHVGQSA-N 522.580 5.460 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 38683899 AMSLPXBQNFRDQF-GDLZYMKVSA-N 528.605 6.099 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38684006 WOTDFMFZGYONEP-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 39868061 VDXRUHUWIKTVDM-GXSAIBHDSA-N 502.551 6.599 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 39884916 INMZVNRKOCFOEF-NTCAYCPXSA-N 511.397 5.982 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812943 AOUHHZONKMRREJ-MTDXEUNCSA-N 502.315 5.351 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 100235442 WAAXKCLVMPDOEB-APTYXWLQSA-N 589.914 6.443 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Br)cc1 100238141 ZTUZEDGESPJXMS-KPHTWCJLSA-N 581.507 6.128 50 10 KKGE Cc1cc(C)cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100921656 BDUZTKVGWMDTEF-DOPJRALCSA-N 508.092 5.928 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101333291 KIAYGRSJEBHFFF-OVVQPSECSA-N 522.649 6.417 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340467 KOGBMEQHWFWFJA-RDRPBHBLSA-N 546.602 6.260 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368638 VZWHYQYQGJNQGH-MHZLTWQESA-N 530.577 5.329 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 101376221 NUNRQGZNYFCCTK-MGBGTMOVSA-N 544.651 7.067 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 101378315 IFRJYVISQWLXJJ-GDLZYMKVSA-N 533.024 6.420 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384790 GRBLADXJGMQUIX-HKBQPEDESA-N 601.486 7.799 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccc(F)cc12 101397592 VYPFJHJXXJDSFP-PMERELPUSA-N 580.999 7.550 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)c1 101593352 GSWHDTPYPMPJBE-GZZLJNBRSA-N 528.008 7.065 50 10 KKGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc(OCC)c1OCC 101680476 CKZNHWUEEVYABM-BUVRLJJBSA-N 544.604 5.334 50 10 KKGE CCCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 101727469 ZGADOBQWVKUIDQ-CCVNUDIWSA-N 597.000 7.436 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 102666402 NQZHCRYNJXAXDK-SLSCBCEPSA-N 523.536 5.779 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Br)cc1 104953878 GSXLXHSRYOGKJT-YVLHZVERSA-N 532.221 6.889 50 10 KKGE N#C[C@@H](C/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 108804652 QVADNTMOMSXUBI-MMOXAZSPSA-N 549.587 6.046 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921062 LMCNYCSDWPLKPZ-QNTQNTNTSA-N 505.227 9.203 50 10 KKGE CCOc1cc(Br)c([C@@H](Br)c2csc(I)c2)cc1OCC 124419392 ACIVKSUSOVNONF-HNNXBMFYSA-N 546.062 6.397 50 10 KKGE Brc1cc([C@H](Br)c2ccc(I)cc2)sc1Br 128268054 IZGCHPQJIGJESF-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 150430515 MXPBDSHTDDTLKO-OVNXQDIVSA-N 657.332 6.548 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 150431645 MROIKYNGFJSTBX-JGCGQSQUSA-N 645.481 6.768 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 150481292 ODXMIKDDJAAPJP-DEOSSOPVSA-N 628.937 6.817 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccc(Br)cc12 150482655 UGDCQOSEWODBSN-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207154394 VPCMAINMCYVOKS-MQGQSAOZSA-N 520.626 5.571 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214333747 DMAGDWRAJXWKJD-HXTGAFFQSA-N 512.613 6.510 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 229518889 WTGSBZSJRIDXSC-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 234912495 QHIBGGVUIRAKIQ-CQSZACIVSA-N 531.839 6.606 50 10 KKGE C[C@@H](Br)c1ccccc1NC(=O)c1cc(Br)ccc1I 235061312 HTVUTYPGWGSIQY-SECBINFHSA-N 508.979 5.762 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]5[C@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 253498435 JLDCYPYVMUNTNF-ZSQCMHAFSA-N 722.687 11.403 50 10 KKGE biogenic CCCCOc1ccc(OCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254402915 MFPQUUVVHAFZDT-UHFFFAOYSA-N 500.570 6.266 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2OC)cc1 254444357 ZPGDWEHQWCDWIX-UHFFFAOYSA-N 504.583 5.185 50 10 KKGE Cc1cccc(OCC(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)c1C 254570003 ZOUFBECPDDQSEY-UHFFFAOYSA-N 532.644 5.209 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254743269 WQXGJECBKZILQH-UHFFFAOYSA-N 578.838 9.796 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(OCc4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)cc1 254872971 FDEIFTLCDWDBER-MGBGTMOVSA-N 594.696 5.019 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)n3)CC[C@@]1(C)[C@@H]2Br 256019997 QSRXNUIGTORKSI-QTKMOUQLSA-N 567.366 6.138 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586833 HODUUTHQNQITGS-WWOQLFFMSA-N 779.062 9.261 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591272 XORYGFNCJVGENP-RVBSLKBBSA-N 795.014 9.608 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 721607543 BVMRQHGHZSCWOB-CQSZACIVSA-N 514.064 6.897 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1083904054 VNWMOKLEOXHBHM-CIAFOILYSA-N 575.419 5.692 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1083993276 ULGQNTLYFORNND-UHFFFAOYSA-N 520.976 7.137 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1 1084022108 LOJQFVIYZAIQHT-UHFFFAOYSA-N 530.362 5.041 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1 1084147754 NBFGYJZGDMTXDU-CQSZACIVSA-N 591.498 6.979 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084290639 JSDSZQXTSJQQHA-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084365288 BFYGLQDRFZFTBY-JOCHJYFZSA-N 546.805 5.554 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084409385 YSCFMXYUGJPGSU-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084424393 WPYQOMAKBKTKIE-UHFFFAOYSA-N 611.323 8.253 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(O)c(I)c2)cc1 1084450984 ZXWKBSFCBJMJPP-UHFFFAOYSA-N 600.254 6.289 50 10 KKGE COc1ccc2cc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1084454686 HDPRFLJSJMCDIR-UHFFFAOYSA-N 557.459 5.204 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc2ccccc12 1084466036 JFOBPASXIBTZNU-WGOQTCKBSA-N 550.058 7.218 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 1084467390 SRRSGEAOQBZVCV-AREMUKBSSA-N 547.449 6.154 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1084483232 QKZJFDAXWUZQOY-UHFFFAOYSA-N 528.392 5.724 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3c[nH]c4ccc(Br)cc34)n2-c2ccccc2)cc(OC)c1OC 1565517957 ICKYJKYZGHWRAN-UHFFFAOYSA-N 621.517 5.446 50 10 KKGE CC(C)[Si](OCc1ccc(NC(=O)Oc2ccccc2)c(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C 1613961377 LKZYBLMKSURYLU-UHFFFAOYSA-N 571.951 10.544 50 10 KKGE O=C(N/N=C1\c2ccc(Cl)cc2C[C@@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)c(Cl)c1 1614360631 QFPJNNANVGWJKC-JHHXCBAZSA-N 540.209 6.320 50 10 KKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)c1 1772744794 JMBRYTWIIARAIF-UHFFFAOYSA-N 503.558 6.125 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746964 BXCTUJQJPDZDDQ-UHFFFAOYSA-N 520.800 6.280 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)c1 1772750141 VMLFVIGWMPHZGN-UHFFFAOYSA-N 521.617 5.910 50 10 KKGE [C-]#[N+][C@H](c1cccc(OC)c1)c1cc(C)ccc1S(=O)(=O)c1ccc(C)cc1[C@H]([N+]#[C-])c1cccc(OC)c1 1857791027 UHFDVXQCKVGCDS-ROJLCIKYSA-N 536.653 7.171 50 10 KKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1 1860561983 ZJTKBIMIQOORBF-WOJGMQOQSA-N 506.587 6.138 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681185 HDDXQCFNJIOROJ-QFIPXVFZSA-N 515.367 5.234 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865693854 RABRCMCQAFNPKK-VWLOTQADSA-N 508.578 5.482 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694815 CKAXLSBZDCLROY-MHZLTWQESA-N 571.475 6.311 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865697221 XTNCGVZSHZHIPB-QHCPKHFHSA-N 561.004 6.789 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697738 AMNQATOJOFYLIA-JOCHJYFZSA-N 557.876 5.924 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698774 CKTVKGBGHGDRGD-FQEVSTJZSA-N 519.424 5.899 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701476 WLLFAIGTSMREIS-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701574 YNBHWYOHLUGQFF-KRWDZBQOSA-N 530.220 5.409 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCc1ccccc1C 1865702795 FLJCLGTWXCUWPV-SSEXGKCCSA-N 564.686 6.719 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(Cl)c1O 1865707431 WZGQOPFOMPELBJ-QFIPXVFZSA-N 502.933 5.323 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865709096 NNOYNDWUBQVMID-MUUNZHRXSA-N 564.086 5.147 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866720412 KANJJMMVFNKKPZ-XZWHSSHBSA-N 555.700 6.052 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)c2ccccc2)cc1 1866776142 LIWLXPUTOVBABC-XRKRLSELSA-N 509.606 6.417 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990759 MMWUPNAUZDJZKR-WNJJXGMVSA-N 575.687 5.308 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)CC1 1868300850 JCINEXOIGVMBPX-UHFFFAOYSA-N 536.705 6.142 50 10 KKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1868480803 UBCCRNJGYKVEAJ-UHFFFAOYSA-N 505.007 5.132 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3c3ccccc3OC)n2)c1 1868506152 RYAJICTUPQWBOX-MGBGTMOVSA-N 571.706 7.630 50 10 KKGE CC(C)(C)c1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccs3)cs2)c(Br)c1 1872750574 LVGRKUCHLXXHBS-MNDPQUGUSA-N 503.487 7.583 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23CC4CC(CC(C4)C2)C3)c1Br 1924602512 YINHUTGWUKQCJD-HLJMMJMFSA-N 547.976 7.688 50 10 KKGE C[Si](C)(C)O[Si@](C)(O[Si](C)(O[Si@@](C)(O[Si](C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1 1933288835 FNZBSNUICNVAAM-VSJLXWSYSA-N 571.059 5.660 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2csc(Br)c2Br)c1 1945191117 YSTQJTQXMKJPJO-SECBINFHSA-N 568.748 7.282 50 10 KKGE Brc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)c1 2024279849 RXPANWPTEQLJGC-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE C[C@@H]1[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025779988 NOBSCQVWDWVKFY-ZGVUKUBGSA-N 554.740 7.075 50 10 KKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 2053622394 XCHUBBUYXSYOEK-UHFFFAOYSA-N 550.615 6.162 50 10 KKGE CC(=O)Nc1ccc(NC(=O)CSC(Nc2ccc(C(C)C)cc2)=C(C#N)c2nc3ccccc3s2)cc1 2053622425 XUEOKDLERIPYCE-UHFFFAOYSA-N 541.702 7.054 50 10 KKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)ccc1I 2139641677 BTLXKXLDHODMDB-CQSZACIVSA-N 501.934 6.125 50 10 KKGE FC(F)COCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470860 LMTKJPHCKWQKTI-YFKPBYRVSA-N 594.708 6.844 50 10 KKGE CCCOc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2172570126 UJEOQJCVXZPYBA-ZDUSSCGKSA-N 503.481 7.200 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(CC2CCC2)CC1 2206396723 AHYBGZITOAWJGQ-CQSZACIVSA-N 550.354 7.987 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2206566194 IUBSOMFLOUCQQT-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2225614941 AYUWSDCDIZRQQM-GFCCVEGCSA-N 580.709 7.360 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2234056028 FSYCTWOLNCWBMV-QEJZJMRPSA-N 509.673 6.164 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CC1(Br)Br 2234069427 SIASISHTFJUVEG-RNFRBKRXSA-N 550.314 6.367 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)cc1C 2236006355 CWCUPIUDAWWNRN-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE O=C(Nc1ccc(Cl)cc1CBr)c1ccc(I)c(Br)c1 2239644640 DUESDFXNBRGKDS-UHFFFAOYSA-N 529.397 5.854 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2scc(Br)c2Cl)c1Br 2264604808 IBLYCZMYZFOBRT-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)s1 2277880295 ZNVNNFWTONILAI-LURJTMIESA-N 563.878 7.600 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2282787197 NPZKKBFAOJEWEX-HNNXBMFYSA-N 511.954 5.612 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2286461903 KKBLVEQLMPDOOD-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2288345771 TXMOAUWQDQZNIA-NSHDSACASA-N 598.699 7.499 50 10 KKGE Cn1nc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1Cl 2288357787 UGJSXYALIHEPHJ-ZETCQYMHSA-N 558.240 6.124 50 10 KKGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 2293198102 MGHSURFIBTWGQV-UHFFFAOYSA-N 547.405 5.318 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293818105 UHCDRCBBCZLXBO-GAPKUINQSA-N 641.186 12.671 50 10 KKGE Nc1ccccc1NC(=O)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2295110962 QYKATIYYBHVFTL-UHFFFAOYSA-N 557.590 6.020 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3[N+](=O)[O-])cc2)cc1 2297624158 OPGRCOARPKXRFP-UHFFFAOYSA-N 587.673 6.465 50 10 KKGE Cc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299511493 VQOPKEVKDGKBCX-SFHVURJKSA-N 531.107 7.645 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12 2313557175 WFTNWTUDOIUTEY-UHFFFAOYSA-N 594.509 7.327 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 2313568217 PRYBLOPICBXZTJ-UHFFFAOYSA-N 570.237 6.373 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499416 CHXPMGFUKOIERC-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314616622 FXVFFWAUBFFGGH-NRFANRHFSA-N 584.632 5.692 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314617358 WSXBUHPEQKEGLW-UHFFFAOYSA-N 529.556 5.282 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 2314617968 DWNVNBHYBNVZEV-UHFFFAOYSA-N 524.621 5.264 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314620999 YIALEBSTRYIGGH-UHFFFAOYSA-N 533.411 6.373 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360485171 ZAHVIRKFPZZSNL-GFCCVEGCSA-N 556.797 7.123 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 6167481 XRLRTKDYJNZBAJ-OIZXOUNJSA-N 607.729 5.627 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14649800 XAXBPKNITNDRNH-LBPRGKRZSA-N 504.208 5.163 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl 35447387 UGAUQWSOTSGTBE-XYGWBWBKSA-N 518.038 6.628 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100030619 VAZGKMPGJGNLJK-UHFFFAOYSA-N 607.137 5.185 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3Cl)cc2)cc1 100085311 IRSPBIKXEGVIFX-UHFFFAOYSA-N 558.860 5.492 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100226345 YMGFSQLGYKORLU-VXLYETTFSA-N 607.275 7.430 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 100237642 QXVFEEBSSZJGAM-PEHSQKLVSA-N 583.426 5.104 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243272 IFCYFNCDHRPOER-RCHXBHARSA-N 513.638 6.253 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101336654 ZYICXFRRRBMRHH-LQKURTRISA-N 546.627 6.268 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 101338175 YWKVHGGZZIHMFS-TURZUDJPSA-N 514.585 5.383 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101374837 SZJPNFYKKIIRDG-HKBQPEDESA-N 554.687 7.245 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389851 SNTCCNKVQAHVGC-SSEXGKCCSA-N 621.904 8.062 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 101391800 DJQBZLJGTYVMLP-QHCPKHFHSA-N 540.359 6.128 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1Cl 101392397 HFAMEPBROHQUOC-HHHXNRCGSA-N 545.422 7.373 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101394633 OPSSORDAMUMXFQ-HSZRJFAPSA-N 551.451 7.434 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(C)cc4)c3)c(C)c2c1 101398260 PTHVXRYFPWIMDW-MGBGTMOVSA-N 570.645 7.628 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601900 FSVQBLCNNAUUAI-MDUFYKDISA-N 538.963 5.741 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OCc1ccccc1Cl 102140401 UXOYIIKYZPUZAO-BOPFTXTBSA-N 521.322 7.145 50 10 KKGE O=C(N/N=C/c1ccc2cc3ccccc3cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103738647 VALSQZUPIZCOIH-GVEJRPSDSA-N 566.317 7.182 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806578 WZUOXOMUHMEMRT-YKOIFPQFSA-N 617.753 6.478 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1 103884472 UXPBYWFUQVYJBS-ZXVVBBHZSA-N 556.504 6.321 50 10 KKGE O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccc(Cl)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 104369691 RNHGEENJOGFIAY-HKBOAZHASA-N 526.759 5.342 50 10 KKGE Cc1ccc(CN(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 110348374 OOYNHLCVILWKLD-NLRVBDNBSA-N 539.657 6.142 50 10 KKGE O=c1nc(SSc2ccn(-c3nc(-c4ccccc4)sc3-c3ccccc3)c(=O)n2)ccn1-c1nc(-c2ccccc2)sc1-c1ccccc1 150343591 QEMZSHWNSFABMI-UHFFFAOYSA-N 724.918 9.159 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 150412828 BQHWLJLVTAVVIF-UHFFFAOYSA-N 720.374 5.198 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 150428841 LAXDTMFSCCYUJM-PNODBXBWSA-N 634.321 5.882 50 10 KKGE Clc1ccc(C(CBr)(CBr)Cc2ccc(Br)cc2Cl)cc1 168967945 AIETWHFODOUVAI-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 214298581 DRJVKQVQTBYPSW-DIBXZPPDSA-N 540.689 6.060 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 214312145 RUEWOMBIHNMOEL-DICXZTSXSA-N 515.573 5.044 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214325448 WYWVTQKNDLBGFT-UIYSYRJOSA-N 570.649 5.890 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214333973 HQRPMTQXWFTHAG-HPXKMKHVSA-N 556.666 6.990 50 10 KKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Br)sc3Br)cc2[nH]1 232482330 PGZXPCHUWXXRMJ-SNVBAGLBSA-N 545.876 5.690 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H](O)[C@@H](O)[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 248136587 ACJHNDYFTFXEOF-UUNGEHDKSA-N 984.181 5.736 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc1 254372358 VWSSWRXFLBTXPA-UHFFFAOYSA-N 533.657 6.064 50 10 KKGE CC(=NNC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 254791374 IVSAOYOKGQGAQG-GOGFDQBKSA-N 577.710 5.644 50 10 KKGE COC(=O)[C@H](Br)C1(Oc2c(Br)cc(Br)cc2Br)CCC1 312795336 HZYVWHOTGGPRGO-NSHDSACASA-N 535.852 5.212 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 398797097 SCDPSLZACISKIV-QMMMGPOBSA-N 543.822 6.937 50 10 KKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)sc1Br 721592143 FFYUPNDVMGJGIN-LLVKDONJSA-N 550.879 6.670 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CSc5ccc(Cl)cc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725387392 RYDBRHUIOGPGMU-JGBIIJINSA-N 622.190 8.399 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C)cc1 725406903 VYOHRLWEOLLDBC-MUUNZHRXSA-N 565.508 6.428 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C#N 1084004871 RWGDLUVNAWXWGY-GIJQJNRQSA-N 512.780 6.652 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084026653 YUZURNLTEIGXKU-HYARGMPZSA-N 577.435 5.201 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1084048907 HSFIWVYEJZLKIV-XMMPIXPASA-N 706.202 7.302 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)ccc1O 1084050656 YLGYJHQBNXJEKQ-UHFFFAOYSA-N 652.567 6.030 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 1084125935 IDFYKIFLOHGCAV-UDWIEESQSA-N 570.281 7.043 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1 1084249354 ZNGGVBFAGIOANH-UHFFFAOYSA-N 575.712 8.677 50 10 KKGE Cc1cccc(Cl)c1OCc1ccc(C=NNC(=O)CCCNc2ccc(Br)cc2)o1 1084281409 VBRDYBXJGJKDLM-UHFFFAOYSA-N 504.812 5.925 50 10 KKGE COC(=O)COc1ccc(Br)cc1C=NNC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1084470317 HKZFNBVTUBTRGM-UHFFFAOYSA-N 546.421 5.531 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N 1084549382 BCAIIHHVTNVLKG-UHFFFAOYSA-N 517.177 5.353 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 1084581974 PZUWJAQMNGEWGG-QFIPXVFZSA-N 502.354 5.445 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C2\C(Cl)=C(Cl)/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@H](Cl)[C@H]2Cl)cc1 1542993190 KJVBAWAOJCRNGK-MGQSDJOLSA-N 554.304 5.181 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743801 LCLPRPHBMLBPCR-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 1772755182 SKJDOBIZHBFXON-UHFFFAOYSA-N 559.757 7.328 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865687402 QJUBNXLBSUVLRR-JOCHJYFZSA-N 530.522 5.885 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689291 ORQMJPKQAJQQNZ-SANMLTNESA-N 562.457 6.332 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865691401 QWDQVUOTIZKQQR-OAQYLSRUSA-N 517.468 5.804 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697651 YSEVIEZGDYBUOX-QFIPXVFZSA-N 557.876 5.925 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865702975 JVTOMYNBEXKGNA-XMMPIXPASA-N 516.523 6.056 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1865704229 QTUJLAGVCWXJLX-SANMLTNESA-N 567.860 6.947 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709006 LHKHDOQDCDZYGI-GDLZYMKVSA-N 575.685 5.277 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866663614 WMSMXPKXKLZMLA-VWLOTQADSA-N 547.036 5.491 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990751 MMWUPNAUZDJZKR-GGXMVOPNSA-N 575.687 5.308 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)\c2ccccc2)cc1OC 1872748123 JJXICINCDUCHCC-ZHJGTXQPSA-N 501.007 7.514 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 1872754934 QKFUMNOAQYZMIB-LAGVDGIJSA-N 519.648 5.646 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 1872755364 JXWDXPNBEDJVAO-OQICMLARSA-N 517.607 5.721 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OCC)c1 1872755490 QCYMHUDEKYLAPE-GYHWCHFESA-N 513.059 7.530 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758051 JCICALIAPDSANF-YSFPUWIGSA-N 514.390 5.749 50 10 KKGE FC(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1894330970 HAAIAKSDUMVIND-LWKDLAHASA-N 503.826 6.373 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922931272 AQYKDEVCMNVODT-SECBINFHSA-N 523.935 7.198 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2COc3ccccc3O2)c1Br 1924601499 XXIMZPNRFIGUPO-WCBMZHEXSA-N 547.888 6.312 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)s1 1942100927 DRUIPCOYEFGRPI-SECBINFHSA-N 523.935 7.144 50 10 KKGE C[C@@H]1C[C@@]1(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779591 JODZBPRQRJAPPS-IDTHNEBUSA-N 510.289 7.063 50 10 KKGE Cl[C@@H](c1ccc(Br)s1)c1c(Br)c(Br)cc(Br)c1Br 2085495126 HRSYGIJDQXYKMP-NSHDSACASA-N 603.193 7.889 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1c(Br)cccc1Br)CCO2 2150496438 VRYWVNFCFMRTEV-OAHLLOKOSA-N 525.860 6.393 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508163 BQOPZVAOZVSJOC-NSHDSACASA-N 542.707 8.310 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C1[C@H]2CN(Cc3ccccc3)C[C@H]12 2234062936 ALUZBTDLUYCEEH-GJZGRUSLSA-N 509.673 5.646 50 10 KKGE COc1c([C@@H](Br)c2c(Br)sc(Br)c2Br)csc1C 2259053363 KZOJABINSFBNQF-SSDOTTSWSA-N 539.934 6.898 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277891763 KURBMSJRWKLPTJ-QMMMGPOBSA-N 617.220 8.130 50 10 KKGE Cc1cc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)ccc1I 2288349165 MVYPHSNBOBZDLT-ZDUSSCGKSA-N 536.379 6.731 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 2293202141 IFIWCPXUCXOBEZ-UHFFFAOYSA-N 519.976 7.131 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296160155 AVSWQYUQSCTRAF-IBGZPJMESA-N 559.713 7.282 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2297629182 SMQJOWQADAZNNT-QGZVFWFLSA-N 574.302 7.518 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534831 ICXLPUZTGJMJNA-IBGZPJMESA-N 515.039 7.176 50 10 KKGE Cc1cc(Br)ccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)cc2C)o1 2313548838 GYAVEXPTDMSUSS-UHFFFAOYSA-N 500.190 6.634 50 10 KKGE Cc1ccc2nc(C(C#N)=Cc3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4[N+](=O)[O-])o3)[nH]c2c1 2313548868 HQTKLACLHWLBRP-UHFFFAOYSA-N 504.590 7.572 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(I)cc1 2313568463 SUJLNOFAIBLFBH-UHFFFAOYSA-N 555.210 5.027 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571406 VQEQNNKWEXPQLU-UHFFFAOYSA-N 696.981 8.792 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2314531690 CSJJQBMDXHJFRB-UHFFFAOYSA-N 522.561 5.134 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592270 PNGDVCBQYSRCDI-DEOSSOPVSA-N 548.462 5.831 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314620729 TXCGJRPWGDPLND-UHFFFAOYSA-N 689.599 8.269 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314620986 XVWBGWJIHDZSSY-UHFFFAOYSA-N 549.974 5.893 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634718 CRFHDNCOSYKFGG-SSEXGKCCSA-N 579.480 7.408 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634730 DBAWYMAKLFVVDJ-YTTGMZPUSA-N 554.643 6.500 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646547 BFABMOATQOOCLV-DHUJRADRSA-N 716.819 7.188 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@H](C)C2 2314646687 JGBZEPIDRFFBBZ-RNWIMVQKSA-N 630.726 5.088 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2csnc2Br)c1Br 2315442018 OFYQVGNFPCPTDA-ZETCQYMHSA-N 543.275 6.707 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(I)ccc1Br)C(=O)OC(C)(C)C 2319213466 LYWFWNXOYCWRAP-SFHVURJKSA-N 638.122 6.021 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)OC2CCCCC2)c1C 2329654328 NPKFBJJXTHCRFX-UHFFFAOYSA-N 501.004 5.922 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331362677 DQUWPIMQOBACCZ-OYLFLEFRSA-N 501.608 5.939 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2337099553 XAWBUKAPHUPTAL-MRVPVSSYSA-N 576.732 7.966 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)c(I)c1 2365236312 OECJHPLNXIDMJM-CYBMUJFWSA-N 552.834 7.245 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1888959 JDUHCUFRBGUNBH-RDKICWGTSA-N 540.447 5.918 50 10 KKGE Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 3086919 XBHXKTJKPTVRIT-UVHMKAGCSA-N 545.231 5.301 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2cc(Br)ccc2o1 8437033 HMTWKDWDSQBHTN-UHFFFAOYSA-N 578.260 7.454 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccc(OCC)cc4s3)o2)cc1 20177677 IPIRVJVLBIOZTQ-VULFUBBASA-N 509.609 5.374 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 35148191 XMYFZYHLEJJLAP-HFWCEJRVSA-N 506.386 5.532 50 10 KKGE N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518641 ZSMBYQVJKCETAO-LFIBNONCSA-N 500.923 6.333 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38658189 WWYJXLASGXQSJP-HHHXNRCGSA-N 516.981 5.724 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)c(C)c2cc1C 38700597 CSGKVKGFWACWQQ-DEOSSOPVSA-N 502.929 6.588 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 50552109 WVBNIYCJDWKLHU-YBEGLDIGSA-N 537.801 6.069 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(C)c1 59335624 WARPWGBKMFYGMS-XKZIYDEJSA-N 505.412 6.589 50 10 KKGE Cc1ccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2cccc(Cl)c2)cc1 97637644 LWOPLAUVBQWKNI-ZZIIXHQDSA-N 521.086 5.652 50 10 KKGE CCCCCCC[C@@H]1[C@H](CCCCC)CC[C@@H](CCCCCCCCCN=C=O)[C@H]1CCCCCCCCCN=C=O 100051313 AMUBKBXGFDIMDJ-SIMZDOAPSA-N 586.990 12.099 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cc2cc(Br)ccc2o1 100056342 CHHOFRXLCNLWCS-LGJNPRDNSA-N 528.200 6.301 50 10 KKGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100150577 IWAKYFXMLZHZDG-UHFFFAOYSA-N 623.367 5.648 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100172641 MABOHUUCZAQOOW-UHFFFAOYSA-N 570.322 6.134 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc(C)c3)cc2Br)cc1 100233465 CFIUKJQKPQFXFV-KJTWNORHSA-N 569.496 6.098 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 100238043 PRZOYWQSPYXMPB-LCVHJTKWSA-N 531.436 5.944 50 10 KKGE N#C/C(=C/c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 100407853 WOSKMIRNMUKUSD-STZFKDTASA-N 559.569 6.644 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@@H]1CCCO1 100883429 WSQZTPDEAWEBJA-GFPOGIEWSA-N 539.035 5.974 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 100968908 CSEIOLKOTQJEQM-PGZYFAQNSA-N 576.653 5.666 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101332970 ZKTWBHLWTRJILW-VFCFBJKWSA-N 583.714 5.106 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101334256 VGVMMVKMIQNAQS-VSZOBNKWSA-N 556.666 6.818 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccccc1Br 101370174 PRQAIYHKRSMBIW-NRFANRHFSA-N 526.184 5.649 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OCC 101374610 NNNGAWBNALCUNP-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 101377975 BKWMFMQHUHMPDX-YTTGMZPUSA-N 532.640 7.626 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379305 YLMBAYXJYMIUGB-HKBQPEDESA-N 587.459 7.083 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101381026 DTCQKKVDVNWWLD-HKBQPEDESA-N 550.586 6.631 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 101381755 MVNWBZWTJYRWKN-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385466 CLCTYZDRDDYNRT-CGDLVVIGSA-N 604.703 7.297 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389690 HFJWFVAAXZWJJY-NMRUTFGKSA-N 622.693 7.518 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)oc2ccc(F)cc12 101393768 IAQNXRKKEIIJMQ-GDLZYMKVSA-N 532.527 7.110 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc(C)c1Cl 101602419 CWAMSTNSGPJFOI-MTDXEUNCSA-N 530.364 6.109 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 102665180 NYKPURAUZQLTMJ-AQTBWJFISA-N 520.969 7.190 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1)c1nc2ccccc2s1 103465195 JLIBYBCKPWBQGW-XHPQRKPJSA-N 577.687 6.327 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 103876620 VANJAQYTYOXNPJ-JEPNHJGPSA-N 608.492 7.256 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 150429244 NCOBOEKTWBEXNZ-ZZJXEYPFSA-N 671.757 6.649 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(I)cc(I)c1O 150432024 BXLMIQBDOSDXQM-AUEPDCJTSA-N 635.037 5.210 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463039 NZXKTYQWTCWBAV-GDLZYMKVSA-N 663.966 8.886 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 150546831 BCEVDOFNAFPGOW-AQNDVRNWSA-N 672.866 11.247 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N 164615716 NPOJHGKSQXTJGK-NNLKUIAGSA-N 680.546 7.671 50 10 KKGE C[C@H]([c-]1cccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1)P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 206538635 QMHVGCQEJDARBZ-RUZDIDTESA-N 821.687 14.114 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@H]12)COc1cccc(C(F)(F)F)c1 206777376 WOAZYHLGNODOFU-PRBJBOLLSA-N 666.809 8.875 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 206992640 MXEWNIALQZBCNQ-KQWNVCNZSA-N 502.567 5.400 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 214019560 LTFSRPKZHDZHQC-STZFKDTASA-N 505.559 6.644 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 214408217 GRAVRJLMOYVSDW-NUJZUDFISA-N 546.646 6.272 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(Br)c(Br)s1 228453997 DSMIGZPZAJIQOH-SECBINFHSA-N 524.297 7.173 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 232482880 DMOGFYFUAMUQBO-CQSZACIVSA-N 572.860 6.235 50 10 KKGE CCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530173 KPKQRYXDKNVKBO-COCZNXNJSA-N 533.281 10.127 50 10 KKGE biogenic CC(C)[C@H](C)[C@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@@H]2C3=CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 254381972 NTJWQDRCALCUGV-DAZTXROXSA-N 554.451 8.510 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 254383365 UXFAPYHLLVXPNP-UHFFFAOYSA-N 552.660 5.229 50 10 KKGE N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O 254618598 QRPGTAAVVPNIQE-UHFFFAOYSA-N 575.632 5.452 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OCC 254753703 PFGLPDBPOYUXEK-UHFFFAOYSA-N 500.624 6.423 50 10 KKGE Clc1cc([C@H](Br)c2ccc(I)cc2)c(Cl)c(Cl)c1Cl 404877926 QDYQJDISLACAEI-SNVBAGLBSA-N 510.811 7.389 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(Br)c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@@H](Br)C[C@@H]21 504280215 YPBNVVVXYCUEAB-WFGDTNETSA-N 653.943 5.624 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2NC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616584950 NIVOFILWGWIHME-MHZLTWQESA-N 512.887 8.203 50 10 KKGE CC(C)(C)OC(=O)NCCN1CC[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616586920 COKOOMUMXAWQJU-RUZDIDTESA-N 510.795 7.118 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@H]2OC 642883014 KASDHRXLYQOAKZ-DBDDIBSMSA-N 810.466 5.719 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721574527 ZLJUPFWCLFICOX-MRXNPFEDSA-N 508.035 6.836 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725437269 ZYVFSLKGQXESTH-SSEXGKCCSA-N 577.537 6.939 50 10 KKGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1082754830 NBJRFADZXIXCDP-DVBBQURSSA-N 672.642 5.353 50 10 KKGE CCOc1ccccc1C(=O)NN=Cc1cc(OCc2cccc(Br)c2)ccc1Br 1083894278 DIHOQAHGPXQNKM-UHFFFAOYSA-N 532.232 5.953 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(F)cc1 1083901500 VFRRSZNUFXFXEC-XQNSMLJCSA-N 611.455 5.664 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 1083976081 KNTVJAVIWSTXHT-OAQYLSRUSA-N 506.342 5.524 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1 1084028572 NNRSRMJDJMDOKE-LICLKQGHSA-N 564.238 7.418 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084063319 FSZUTROXPKNAOY-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc(Br)c1 1084178978 HCNNNTFBZPXEDD-UHFFFAOYSA-N 504.472 6.058 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1084195289 UEVFAGACXLGRNM-UHFFFAOYSA-N 548.064 5.254 50 10 KKGE CCOC(=O)c1nn(-c2ccc(Br)cc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OCC)nn2-c2ccc(Br)cc2)s1 1084261161 BPKCUQCUQDBOKG-UHFFFAOYSA-N 870.696 9.324 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(Cl)cc2Cl)cc1 1084433427 JQYJPXGZAIULNI-UHFFFAOYSA-N 506.183 6.047 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084562010 XXOJTUISQWMZEP-UHFFFAOYSA-N 739.903 7.959 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1F 1084599830 WCNTZQIPPVCLBL-NDEPHWFRSA-N 534.628 5.895 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 1084601989 ZSVOAJMCJWPECA-UHFFFAOYSA-N 598.486 7.801 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC 1084627604 OBOWSOGSWYCYBH-UHFFFAOYSA-N 502.014 6.667 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084638220 UKTOMZDJWKDXGS-UHFFFAOYSA-N 514.588 6.038 50 10 KKGE CC(C)(C)OC(=O)c1ccc(-c2nc([C@@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](F)C3)cnc2N)cc1F 1531862228 JNRFXJPLJBKLSF-BUVFEPMLSA-N 519.709 6.816 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)C1 1554268742 AXZCVCWVIQATOB-BQQWPYPHSA-N 571.747 5.562 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1cc(Br)ccc1O 1565517706 WWSBYVROFGMBAN-JGCGQSQUSA-N 695.574 6.881 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684462 YWPASBOHKYMRCI-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCCc1ccccc1 1865688504 UCMWSFJOINKUSG-PMERELPUSA-N 575.068 7.041 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCCc1ccccc1 1865688654 YAILNQMYBWOEJR-HKBQPEDESA-N 554.650 6.447 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865692523 MTNDZOWHBCHZHW-HSZRJFAPSA-N 557.876 6.061 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865693247 SZZZUTJAZKQBPI-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c2ccccc21 1865698807 CVYVWQCYPPIEBT-VWLOTQADSA-N 509.972 6.101 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709916 KADJHSHAZQBUTG-JOCHJYFZSA-N 501.905 5.517 50 10 KKGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712058 OUSCHRRQKUWOAJ-DEOSSOPVSA-N 532.522 5.815 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1868301073 KCVGSYDHUGRYKM-XMMPIXPASA-N 512.082 7.634 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)CC1 1868301676 UHFDRJVWTZOENC-UHFFFAOYSA-N 535.677 6.054 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)n1 1872746916 FQVZZHGFPXGSOG-ROMGYVFFSA-N 507.571 6.186 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748690 JBQPETLLQOBVDD-NHEFTAMWSA-N 520.825 6.625 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 1872755178 BTGCONYEVDUQCP-LNVKXUELSA-N 503.580 5.477 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)c1 1872792507 CLCOVACRSDCFHW-OVCLIPMQSA-N 501.402 6.148 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 1873940703 DAGHFWUXCDMZAR-SGEDCAFJSA-N 513.578 6.709 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2c(Br)cccc2Br)C1 1901794471 LNGDFMUOBACIRM-UONOGXRCSA-N 561.052 5.151 50 10 KKGE Brc1cc([C@H](Br)c2cc(I)sn2)c(Br)s1 1909888678 GNHGCLOLNHLVGC-ZETCQYMHSA-N 543.869 5.819 50 10 KKGE O=C(c1cc(I)ccc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915160259 YWYDZPMAAKDRDB-SFHVURJKSA-N 518.620 5.714 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2ccccc2Br)c1Br 1922905557 ACXYLIZVDVWZAZ-SNVBAGLBSA-N 517.906 7.023 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1923055265 RFAMVWFAEOFKSI-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1I 1924614304 XJAWCWBKUYZXSU-QMMMGPOBSA-N 589.287 7.108 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)c(Br)s1 1985351029 ZAHUBBJLNOLJAO-UHFFFAOYSA-N 506.351 5.269 50 10 KKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179955538 BRJSDLBEGZDZMZ-HNNXBMFYSA-N 529.319 6.358 50 10 KKGE Cl[C@H](Cc1ccc(Br)cc1)c1c(Br)c(Br)cc(Br)c1Br 2206409956 SXSGMSOHFUKKEB-LLVKDONJSA-N 611.191 8.022 50 10 KKGE CC1(C)CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 2239858260 GQPHUOOTHCMWIX-UHFFFAOYSA-N 536.355 5.081 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2sccc2Br)c1 2252779178 QISVUUBMNMGRRI-NSHDSACASA-N 503.879 6.714 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2282787568 RKAZSNONVARGJQ-LBPRGKRZSA-N 528.801 7.481 50 10 KKGE COc1c([C@H](Br)c2scc(Br)c2Br)cc(Br)c(C)c1C 2284587910 NSHZVBDYDQTMEE-NSHDSACASA-N 547.932 7.145 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2285274988 PWOJTDHZTNENSV-VGIXGZPDSA-N 618.805 5.996 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Cl)cccc1Br 2288482990 IZVXMZBVGFYDRS-NSHDSACASA-N 554.248 7.390 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1Cl 2295672295 KIELWFRVENCPLX-UHFFFAOYSA-N 534.996 5.241 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]6(CC[C@H](C)CO6)[C@@H](C)[C@H]54)[C@@H]3[C@H](Br)C(=O)[C@@]2(O)C1 2297643202 NZMXPNPAWOZZDY-TZDUTCILSA-N 567.561 5.032 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Cl)cc2I)c(Br)c1C 2301084584 VNLBOUXRWYMUDP-VIFPVBQESA-N 526.484 6.931 50 10 KKGE C[C@H]1C[C@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2312064188 VQZQUFWWDHEMCG-OVKOADNCSA-N 522.300 7.063 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571417 VXEAEVKOZDXJHS-UHFFFAOYSA-N 626.088 7.551 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 2313681237 WRYVHBRTVFHPJZ-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 2313681245 XOMRTNVAZNOGAU-MRXNPFEDSA-N 530.249 7.119 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)cc2)cc1 2314414869 PGDUOJRNIFVBJE-UHFFFAOYSA-N 516.645 6.783 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592037 KKATYGKZKIBIFR-VWLOTQADSA-N 552.483 6.684 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593911 VWNKCIRAEPEIQL-SIBVEZHUSA-N 532.065 6.042 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 2314616509 CJKSOISHZRYYCH-UHFFFAOYSA-N 510.569 5.612 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(Cl)cc4)c3)C(C)=C(C#N)C2=O)cc1 2314616661 GPMBUQUIXBXESH-UHFFFAOYSA-N 641.127 7.573 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314619108 ZUOCNRIROGPOKU-QFIPXVFZSA-N 516.576 6.340 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643353 VABDNXCPBVAONH-UUWRZZSWSA-N 593.079 7.463 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(C(C)(C)C)cc4)c(OC)c3)nc(O)c2cc1OC 2331044500 SWRRQFJWCXVJMC-UHFFFAOYSA-N 525.605 6.302 50 10 KKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232815 YVIABTZYVSIRDV-UHFFFAOYSA-N 506.368 7.032 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c1C 2331364568 KXECYCMSCPXULP-UHFFFAOYSA-N 520.614 6.185 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331396793 DQUIWMUGANKNBQ-GKVSMKOHSA-N 513.663 6.920 50 10 KKGE FC(F)(F)c1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336055167 XWAPUSOKCVFBQJ-SFHVURJKSA-N 506.181 7.593 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2337316276 AGYLODZXZQDQNV-ZETCQYMHSA-N 512.254 6.390 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)s1 2340067946 HZSQMJDCLMGUNY-GFCCVEGCSA-N 536.454 6.399 50 10 KKGE Fc1cccc(Cl)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362255900 RXRNJGLQNUFNQK-NSHDSACASA-N 509.797 7.281 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2377293638 ZGKUZQIHCXQFML-MJBXVCDLSA-N 514.083 6.822 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCc1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2295525 NTMUGDRRYNWZRE-WDSQAZNRSA-N 537.084 7.795 50 10 KKGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2cc(Cl)ccc2Cl)c(C)cc1C 2727703 NPDPIRDUHBDMEU-HSZRJFAPSA-N 503.451 6.547 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 38606283 PARYKNZWIKTAKC-NLRVBDNBSA-N 522.605 5.041 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38682864 HORQOYTZYTZJEN-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCC(C)C 38684154 CSAQEFLSIGMSIV-GDLZYMKVSA-N 514.578 5.241 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1[N+](=O)[O-] 39867628 XHYBQKLGQBRBLA-UHFFFAOYSA-N 511.513 5.214 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)nc1 40822093 WHLMCFMSSIPHBQ-STBIYBPSSA-N 501.370 5.086 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1cc(Br)cc(Br)c1O 59167252 RXRZLHXNPCECEG-WYMPLXKRSA-N 510.226 5.494 50 10 KKGE CC(C)NC(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 97956400 SRNNMQZPGPGNRM-LVWGJNHUSA-N 526.037 5.028 50 10 KKGE COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 97993361 VZBBAPPRIXJHMV-XESZTULISA-N 511.603 5.951 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 100206206 BEAMLQYUIXEBHQ-UHFFFAOYSA-N 576.285 5.236 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232686 CAEAKFCDFYUKPF-CAOOACKPSA-N 591.245 7.187 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccco2)cc1 100919908 PQFFQIPRSWLMKU-HMMYKYKNSA-N 556.625 5.935 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(F)cc3)nc12 101115578 WQIYTMVTQDHKAQ-VBKFSLOCSA-N 519.330 5.243 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101231035 RITGGRONYLWPNB-QNKGDIEWSA-N 576.656 7.050 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243875 CJBCLKCMISVRKW-WWTUHYLUSA-N 515.610 5.528 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245406 XTMAFSXVLBAHPC-IEQIIXMPSA-N 502.039 6.276 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245690 KQSVKZRZSAKJGJ-GHRJURJJSA-N 525.674 6.582 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101307425 WUZRHPJSKLUXHI-VWLOTQADSA-N 533.378 5.460 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101333845 WEVRKCYZLOKCJH-RDRPBHBLSA-N 528.612 6.119 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101338087 QZLITDCHUJPPMU-SPTLEAKQSA-N 540.623 5.698 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101340522 HDPMVBWQOFOYNQ-FMFFXOCNSA-N 594.646 7.050 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387885 OEUJQQSELMQUII-PGUFJCEWSA-N 590.676 6.792 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389796 KDQGCFRMILDUSR-SSEXGKCCSA-N 621.904 8.062 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)oc2ccc(Cl)cc12 101392088 SAQJNSLFVLMDKP-HSZRJFAPSA-N 525.775 7.139 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101392712 RCADKTSFNFPGIR-XMMPIXPASA-N 567.450 7.053 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCC(C)C 101395560 WOLAOOMXXVJDRM-NDEPHWFRSA-N 603.469 6.985 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)oc2c1 101398089 OUYIKJXFCNZHJH-WJOKGBTCSA-N 542.591 7.066 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399541 VVFOGUXSBLDOQX-HKBQPEDESA-N 611.025 7.559 50 10 KKGE C=CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C/c3ccc(OCCCCCC)c(OC)c3)cc2oc1=O 101702163 XSNXICGELSLFJO-PXLXIMEGSA-N 530.577 5.189 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 101730064 NROJBOVQRSMJJL-OYRDEESMSA-N 592.648 6.417 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1OC 101730172 CCHXUQIBLYRGKO-HAVVHWLPSA-N 532.662 7.024 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N 102120395 MXYRLOJMLAOELD-CHHVJCJISA-N 533.213 5.042 50 10 KKGE CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 103649594 LCPULJRGVBTIBO-JCMHNJIXSA-N 542.532 8.326 50 10 KKGE C#CCOc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Br 103727725 HJLABQAANWVOHJ-JRXWSOMVSA-N 575.526 6.971 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl 103888360 VXQOFICGRBNEJS-NDENLUEZSA-N 525.830 6.934 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1ccccc1Cl 105566989 QKOCAFSPXBDSPG-XHPQRKPJSA-N 516.873 6.639 50 10 KKGE CCCCOC(=O)N1C[C@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1 113689659 AMZTWVMARTWHPA-QPQHGXMVSA-N 553.623 6.632 50 10 KKGE Clc1ccc(Cl)c(CC(CBr)(CBr)c2ccccc2Br)c1 118878936 HHUZREVXKDCFQB-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCCC(C)C 150422760 SEHKWMAVKRNDNW-PMERELPUSA-N 631.523 7.765 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(CC)cc1 206740425 ILVXQUJAHKOUJQ-QJOMJCCJSA-N 502.567 5.229 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCCC(C)C 207167804 MRUURQVDNXVMHW-NAVINWIDSA-N 544.604 5.564 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214334397 IYDNMGAOVVPDRT-YQUKCCFRSA-N 532.575 6.040 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214427581 OODRCDOCGBCWJG-CEUNXORHSA-N 580.685 5.818 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 221321959 PTBKEUDRTSQWJU-YZAFMZAGSA-N 699.178 10.693 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccccc2)cc1OC 254594125 YASKHEVKIUDFSZ-UHFFFAOYSA-N 541.555 5.213 50 10 KKGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1 254696532 SHNGQFWINJIMEN-UHFFFAOYSA-N 556.258 5.520 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254867961 OQGUEKPOQLAJOJ-UHFFFAOYSA-N 589.718 5.772 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(Cc3ccccc3)CC1)[C@H]2Br 256020042 TZEWKXGMMOKHOM-NDXORKPFSA-N 563.172 5.017 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1c(F)cccc1Cl 256028542 TXPMYSOVHYZUKI-UHFFFAOYSA-N 543.045 5.828 50 10 KKGE Cc1ccc(Oc2c(I)cc(Cl)cc2I)c(CCl)c1 311504543 QAMPFAMXQRFKOO-UHFFFAOYSA-N 518.947 6.389 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)sc2Br)c(Cl)c(Cl)c1Cl 404731059 QUGBQRVURCGLHW-ZETCQYMHSA-N 504.285 8.215 50 10 KKGE O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@@H](I)C[C@H]12 504224047 YXECGMDYLGXYJR-WAQLEGRKSA-N 979.723 8.002 50 10 KKGE C[C@H](CCc1ccc(O)cc1)N(Cc1ccc(O)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 504374478 RCRHYSIURXFCOG-DJUQAAIZSA-N 521.774 7.390 50 10 KKGE in-vitro CCO/C(O)=C(/C#N)[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145759 YGRHOGUIPLPHJO-PFWHNDFFSA-O 523.407 5.038 50 10 KKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696714227 SENGBIAMVKLQFS-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCBr 697199972 JFEWGSZIBDUOCE-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237601 KURQQUYBLQYHLI-ZJSXRUAMSA-N 537.003 6.282 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 725423175 ZXQBHENTVUTUBM-SANMLTNESA-N 532.438 5.592 50 10 KKGE Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=NNC(=O)c5cccc(Br)c5)cc4[N+](=O)[O-])sc3c2)cc1 1084023650 RJPZPLBWZXXWCD-UHFFFAOYSA-N 646.548 7.443 50 10 KKGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084203731 ATLHXVCYVNNNHK-UHFFFAOYSA-N 503.780 5.463 50 10 KKGE COc1cc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)ccc1OCc1ccc(Cl)cc1Cl 1084438378 MVOGBQXRTDPVEO-UHFFFAOYSA-N 554.386 6.822 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1CC=C 1084439198 UIRGOHCETKJONW-HSZRJFAPSA-N 501.421 5.105 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3F)c(I)c2)cc1 1084497426 YZVCOTNDTKIXMZ-UHFFFAOYSA-N 629.473 7.539 50 10 KKGE COc1ccc(-c2cc(=NNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 1565518362 NZTYWVVNWMCBDI-MHZLTWQESA-N 621.800 6.715 50 10 KKGE C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718714 MHIRQHWURQEYLP-FLHDMAHXSA-N 541.800 5.124 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c(Br)c1 1772749677 PGFYGQKLNKSANU-UHFFFAOYSA-N 572.275 5.901 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5Cl)c(C)c43)coc2c1C 1772751779 MTMYPICBIHQDMX-UHFFFAOYSA-N 547.011 5.079 50 10 KKGE Cc1ccc(C(C)(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 1772752526 YKOCLQYCVHDGKU-UHFFFAOYSA-N 568.899 6.155 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(Cl)c1 1772760298 ABZCHYUKZMVXJK-UHFFFAOYSA-N 512.056 6.170 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1 1772760560 USKRSANWYMCGJD-UHFFFAOYSA-N 618.351 6.308 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1 1772760576 VXXCJTLRGFPLIM-UHFFFAOYSA-N 536.893 7.078 50 10 KKGE Cc1cc(/C=C/C#N)cc(C)c1N(C(=O)OC(C)(C)C)c1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C#N)cc2)n1 1848434381 UKCQEQFECBEHSW-MDZDMXLPSA-N 566.662 7.648 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865687052 IGPBEABMGVROIX-AREMUKBSSA-N 533.415 6.293 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688621 WZCSIRLLCZTJFT-QFIPXVFZSA-N 523.431 5.277 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1OC(C)C 1865696929 LLSNNVQYGSWXNS-FQEVSTJZSA-N 518.923 5.618 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701270 RBEYYKNHJZXWSV-HHHXNRCGSA-N 545.014 6.092 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865702759 DRNXJFKAEMZELJ-XMMPIXPASA-N 568.958 6.848 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705491 WZFUKORWEUWZNN-MHZLTWQESA-N 573.024 6.122 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866776041 RRNMWVABGYHLGQ-RRPNLBNLSA-N 531.678 5.778 50 10 KKGE CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866849466 BLCWYXRWENINPL-OAQYLSRUSA-N 526.460 5.444 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1OC 1866993651 CICBLGHYDARPRL-IZZNHLLZSA-N 503.624 5.513 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](C)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867169672 OMNYYEYYXRJDFD-QYBDOPJKSA-N 536.053 5.698 50 10 KKGE Cn1cc([C@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c2ccccc21 1868207579 OIVPDWAETYYAMK-PMERELPUSA-N 545.672 5.553 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456518 QRFGJFRXSONFQZ-XMMPIXPASA-N 562.468 6.940 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)nc(O)c2cc1OC 1872727445 BEUJXRSPHJLPGP-VCHYOVAHSA-N 548.393 5.767 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872751572 NNDCWNPOYGIPIC-KZTWWEKUSA-N 501.652 6.519 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4OC)cs3)cc2C1=O 1872759579 SYAPUDGTXIHYDR-CINSFREOSA-N 519.579 5.180 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 1872781212 YLFRZVMOOBBISI-OVCLIPMQSA-N 520.246 6.807 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914639947 VQZHKLYATAMWEM-LLVKDONJSA-N 516.082 5.730 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1sc(Br)cc1Br 1922937184 AFHSZZRKKVMGSQ-NSHDSACASA-N 503.879 6.828 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924596219 KSYAYNHZTRVIGI-MRVPVSSYSA-N 694.644 7.887 50 10 KKGE Cl[C@H](c1cc2c(s1)CCSC2)c1c(Br)sc(Br)c1Br 1924601314 WVTNHGAFLBYZPY-SNVBAGLBSA-N 523.562 7.215 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)n1 2060855190 DOLXURACHRISJH-ZCFIWIBFSA-N 542.316 6.390 50 10 KKGE Cc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2092335596 OSWJNZMYQSDLHO-CQSZACIVSA-N 511.877 7.075 50 10 KKGE BrC[C@H](Cc1c(Br)cccc1Br)c1cccc(Br)c1 2094094434 BRLSTDMFSODESI-NSHDSACASA-N 511.877 6.695 50 10 KKGE COc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1Br 2138876258 NTPQFKFCSIRWDE-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1c(Br)c(Br)cc(Br)c1Br 2141477099 LIIZNOYSJGDFBD-JTQLQIEISA-N 682.089 8.651 50 10 KKGE COc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(OC)c1Br 2150345099 ZZXCNRSHSIEDEB-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)c(C)nn2C)c1Br 2201074330 RCXLMMVDAFYXOW-ZDUSSCGKSA-N 529.896 6.117 50 10 KKGE C[C@@H](C1CCCCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396560 YLIKPVSFWMTZHW-AYVTZFPOSA-N 552.370 8.233 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206405382 JMOGJGDIPGPMGV-CYBMUJFWSA-N 554.248 7.343 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2C)cc1I 2257369127 LPGJHQQXFMBCMA-CYBMUJFWSA-N 502.009 5.917 50 10 KKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)C(=Cc3ccc4c(c3)OCO4)NC(=O)c3ccccc3)c2)cc1C 2295482976 LJXNQBBYQKIGSQ-UHFFFAOYSA-N 561.598 6.074 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc(O)c2ccccc2n1 2296103199 VKAOYDZOTGQMSM-UHFFFAOYSA-N 539.570 6.970 50 10 KKGE CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296798342 DRIYRNYSBPNDOQ-UHFFFAOYSA-N 522.380 5.832 50 10 KKGE CCc1ccc(NC(SCc2ccc(Cl)cc2)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414567 LWYXZXGCQPQUOG-UHFFFAOYSA-N 506.027 6.028 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2297458689 VSESMOASXMDVGC-DEOSSOPVSA-N 611.359 5.997 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)c(Br)c1O 2297500484 DAMBVBAAXBDMEZ-UHFFFAOYSA-N 500.574 5.433 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1 2313557091 SXPSKRGLGQIXAM-UHFFFAOYSA-N 544.449 6.174 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1 2313566844 BRWWRMJVVAGNQU-UHFFFAOYSA-N 542.477 6.012 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568510 WHWHECIRYAHLKI-UHFFFAOYSA-N 628.308 5.888 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1Cl 2313570711 DQPJOTVZMNHTBG-UHFFFAOYSA-N 502.785 6.387 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570723 DVXGUGLVZVOMSL-UHFFFAOYSA-N 536.198 7.123 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314414684 IYBGTBYCNPZHPZ-UHFFFAOYSA-N 514.585 6.243 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)ccc1Cl 2314532531 KHITWTZUXXYTTH-UHFFFAOYSA-N 549.812 6.065 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314616494 BZSSEFWVLSOWFB-UHFFFAOYSA-N 625.128 7.607 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618255 KFGJQGTZYNDYEU-RUZDIDTESA-N 556.666 6.990 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 2314634609 OOSRXHXOCYPTPI-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1OC 2314754464 STROMDHQGQXZEN-UHFFFAOYSA-N 519.667 7.111 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1C 2316837673 KPYAATAZCRNELM-SSDOTTSWSA-N 521.898 5.870 50 10 KKGE COC(C)(C)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2320464402 YQOBFROPXIZZPW-MRVPVSSYSA-N 525.926 6.677 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)OCCOc2ccccc2)c1C 2329654296 IQSDVWNFDWRSRY-UHFFFAOYSA-N 539.009 5.668 50 10 KKGE BrC[C@H](OCc1cc(I)ccc1Br)c1cccc(Br)c1 2367610526 IEYPXHQCNJNKSJ-HNNXBMFYSA-N 574.876 6.469 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1Br 2368177816 UXFBAYPEEIKFRR-OPRDCNLKSA-N 594.805 7.999 50 10 KKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2380888566 BOQADMDCHRMTMY-ZDEZVYLVSA-N 608.710 7.761 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14650813 UUCCSIXLYMMJCI-UHFFFAOYSA-N 511.416 5.528 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)cc2)cc1 33385853 GYXKCGLLEIRSJA-NHFJDJAPSA-N 521.624 7.378 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655277 VJOSWFGRHVFRMT-OAQYLSRUSA-N 506.172 6.738 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38700673 YPEJVJNJJJXQQI-QFIPXVFZSA-N 505.020 6.714 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38701318 DEPQDKRELLNXOQ-LJAQVGFWSA-N 522.601 7.056 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1 48573050 BCYDHWSYIIDPQE-FMFFXOCNSA-N 516.601 6.199 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 58890162 OFZRKYMTQKKSKI-WHXCVRPHSA-N 515.379 5.140 50 10 KKGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59305135 KMUMFXOOMZNYPY-ZCTHSVRISA-N 511.578 5.167 50 10 KKGE Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 59426177 OZIYWBXSSCJYAY-RUMWWMSVSA-N 500.558 6.792 50 10 KKGE O=CC[C@H](C[C@@]1(F)C(Cl)=CC(c2ccccc2)=C[C@H]1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 95936668 YKZMRPKLINDMDF-POHGFMBCSA-N 516.396 5.707 50 10 KKGE CC(C)Oc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)c(OC(C)C)c1Cc1c(F)cccc1Cl 100087761 MOOWNRKQNDLZQT-JCMHNJIXSA-N 528.045 6.983 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100173291 FDEBYQFSVWTKDY-UHFFFAOYSA-N 611.562 5.918 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(F)cc1 100236295 LGLFVMVKOJEJGQ-HOFFDHMBSA-N 569.471 6.258 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc(Br)c1O 100612712 LXJRNQNXXLIUFH-UHBFCERESA-N 594.535 5.951 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@@H](C)O1 101013836 YRMXEMKFPHHWGW-HVWHKQNBSA-N 623.156 5.329 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 101370887 WAJGDFNCVLHHHO-QFIPXVFZSA-N 536.198 6.503 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384238 KUPJEZBLHWUTRY-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389255 QMTWCSXEPBNTHQ-HKBQPEDESA-N 566.585 6.249 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1 101391198 VSALFXPJTSVMAW-HXUWFJFHSA-N 527.816 7.299 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)cc1Cl 101396687 VJHGFPJZBRIEMI-SANMLTNESA-N 553.442 7.008 50 10 KKGE C=CCc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc(OCC)c1O 101509968 UQABHZPIBPTRPK-KKMKTNMSSA-N 563.246 5.122 50 10 KKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3cccc(Br)c3)cs1)oc1ccccc12 102415948 QGMDZYIJGUCZQP-SSZFMOIBSA-N 502.393 7.457 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(=O)OC)c1C 102924469 YNYGQNJICWDBIP-GXDHUFHOSA-N 532.441 5.882 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C(C#N)C#N)N(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C(C)=N3)cc1 103538382 MIYLWOBDFVMOCP-UHFFFAOYSA-N 583.413 6.039 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1 103879655 DMWKDDZFQXNQLB-MUFRIFMGSA-N 546.364 6.534 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2ccccc2o1 103880581 CWNGAYINEULVGL-RPPGKUMJSA-N 573.197 6.209 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 105053574 USKBMQJWRJGKCC-JGRMKTMXSA-N 529.729 6.807 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccccc1C 110880075 XSBQSVNWPAKVBY-ZVHZXABRSA-N 584.470 6.873 50 10 KKGE FC(F)(F)c1cc([C@@H](Cl)c2cc(Br)ccc2Br)ccc1Br 124599747 SUCSZHUNIPLNLR-CYBMUJFWSA-N 507.369 7.321 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150389347 KJPXHGNQLKBIFG-UHFFFAOYSA-N 621.507 5.386 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150409945 WGVNGEUKARSLQV-JOCHJYFZSA-N 672.776 8.344 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Br)cc2)s1 150473991 WDYYLLMRIFTKBD-NBVRZTHBSA-N 637.562 6.858 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2cc(Br)ccc12 150483613 IIONXVVNVMFPOG-PMERELPUSA-N 676.350 8.827 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 150487350 YULDWYHWWNZIPH-RQZCQDPDSA-N 634.224 6.095 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207186655 MYMSZBZVXKTPGA-NXROXWPLSA-N 548.636 5.047 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214307659 UGDPUCOOKZDLQJ-HBZQPJQTSA-N 550.659 5.579 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214347742 UZKNVLNTTOGYCJ-BRPDVVIDSA-N 544.680 6.486 50 10 KKGE COC(=O)c1cc(C)c(NC(=O)c2cc(N3CCC[C@@H](CO[Si](C)(C)C(C)(C)C)C3)ccc2F)c(C)c1 216496053 DCIRIFPXGSFJRZ-OAQYLSRUSA-N 528.741 6.720 50 10 KKGE CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(CI)cc3n2)c1 219824259 DUAGUAIRUPEXKR-QBWPNERDSA-N 691.675 9.230 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]5[C@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 253498433 JLDCYPYVMUNTNF-LLLPYGHRSA-N 722.687 11.403 50 10 KKGE biogenic CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](Br)C[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 254402872 LRUCATHKPYDWOQ-UFCNLKPDSA-N 571.684 9.707 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2OC)cc1 254848095 BTLXPBAAMQAOFG-UHFFFAOYSA-N 524.573 5.509 50 10 KKGE O=C(CCCCCCCCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254851285 KDACOBHZYKVSDJ-UHFFFAOYSA-N 618.778 7.566 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591115 WUWBJKZWDLYUSB-CWMPKMHISA-N 684.943 5.808 50 10 KKGE Brc1cc2c(c([C@H](Br)c3ccccc3I)c1)OCCC2 688380681 XVUWJXPSJPHDNR-OAHLLOKOSA-N 507.991 5.863 50 10 KKGE CC1(C)C[C@H](NC(=O)c2cc(Br)ccc2I)C[C@H](Br)C1 693898600 VUVCXRSHHMOHJR-WDEREUQCSA-N 515.027 5.126 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccc(Cl)cc2)cc1 725400429 FRAACYMKDYTKAK-UHFFFAOYSA-N 548.064 5.336 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725412864 JGBVKAIHSPIDDV-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1 725431850 XWJWWXSAIMRTFA-DEOSSOPVSA-N 684.312 5.837 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 1083911716 MXLOTPKJNOQLFW-QHCPKHFHSA-N 531.487 5.769 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccc(Cl)cc3)c2C)cc1C 1083976615 PJPXGEHLPVHKFY-UHFFFAOYSA-N 518.908 6.759 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1083990385 MYDHYCOCBWXJQT-KDURUIRLSA-N 601.666 5.505 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(Cl)cc2C)cc1 1084003522 AJDRUBFNRTZPLH-UHFFFAOYSA-N 590.916 6.869 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc(Cl)cc2C)cc1 1084020873 FSMPKEQJALJHSY-UHFFFAOYSA-N 567.023 5.471 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084138850 QBGLQQLLVVREKM-KGENOOAVSA-N 618.302 6.433 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 1084173767 CNDSMNXMLFIZCG-JAIQZWGSSA-N 540.255 6.953 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084179793 VHIKMSZRBPSYBP-UHFFFAOYSA-N 734.388 7.861 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 1084329683 QCVSUSMBGRKDLP-UHFFFAOYSA-N 574.622 6.428 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1 1084336501 PPAHGJOYVKAVGA-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084361888 YFQLVMHNVUAPBM-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084409577 AXWJIZGWPBCZBO-UHFFFAOYSA-N 652.545 7.655 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084481407 UCLRMIZZYWGTBK-UHFFFAOYSA-N 660.677 6.291 50 10 KKGE COc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084524473 WXUBIQACHONKLG-UHFFFAOYSA-N 563.879 6.972 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745783 KUWDHACNFJPIFG-UHFFFAOYSA-N 507.377 6.166 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746461 VDJBBXNXPKEDMG-UHFFFAOYSA-N 500.433 5.238 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1 1772760588 XAHWHMGERJBVPX-UHFFFAOYSA-N 604.324 5.918 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865691548 VFEPSIJMLDWDCV-MUUNZHRXSA-N 571.077 6.666 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697477 UHZXMCOBPRMHRK-LJAQVGFWSA-N 573.068 6.525 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700747 CRNICLXAPRZJFN-SANMLTNESA-N 531.443 6.847 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701087 LOMMITLDFBUQNK-MHZLTWQESA-N 579.459 6.745 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(Cl)cc1 1865701432 VNZBTTXIYHSBKQ-HHHXNRCGSA-N 565.432 6.492 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865702630 XXKHDCXSWXCOIP-JOCHJYFZSA-N 509.343 6.402 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703291 SMMQOZAFMQUOPW-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1ccccc1C 1865703680 YXFACSUYNSBCAZ-HHHXNRCGSA-N 522.605 5.600 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704481 WXVXBQTZWGXRKA-MHZLTWQESA-N 570.546 7.040 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705168 NWPALVQHBMWGFS-GDLZYMKVSA-N 572.596 6.183 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705399 UTAPQALFQRJKDZ-SANMLTNESA-N 510.569 5.751 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1OCc1cccc(C)c1 1865705560 ZARGJXSXOZCVDI-GDLZYMKVSA-N 575.068 7.307 50 10 KKGE C[C@@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866930528 IXLCCZHTBHENNH-OAHLLOKOSA-N 506.990 5.886 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456657 SNINDAJLXISSEY-UHFFFAOYSA-N 549.679 6.445 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 1872751210 WSYHROYTEHRKKQ-LCUIJRPUSA-N 520.614 6.249 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1sc(Br)cc1Br 1922907916 ZRIXZVDUNIXINN-VIFPVBQESA-N 509.908 6.890 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1sc(Br)cc1Br 1922934393 GDPFAUOODIUFLD-NSHDSACASA-N 503.879 6.828 50 10 KKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924609174 SWXKYGHOCBUIAT-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(F)c(Cl)c1CBr 2028589884 DVGSIRIXAJPKIU-UHFFFAOYSA-N 555.354 5.077 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)s1 2029233504 TZMOYQYUAVVSFM-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCCC23CC3)c1Br 2053371315 NNJRXKYKIWRFNE-IONNQARKSA-N 521.938 7.442 50 10 KKGE Fc1cncc(Oc2c(I)cc(Cl)cc2I)c1CBr 2087676039 UECKMARDACAKAV-UHFFFAOYSA-N 568.349 5.771 50 10 KKGE BrC[C@H](Cc1ccccc1Br)Cc1cccc(Br)c1Br 2148760278 KXULDBQPURTHCZ-LLVKDONJSA-N 525.904 6.770 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400052 OUMILPMDXMORQP-ZDUSSCGKSA-N 659.605 8.123 50 10 KKGE BrCc1cc(Br)cc(Br)c1OC[C@@H]1CC1(Br)Br 2213086246 WPDMFIKQOBSDGS-ZETCQYMHSA-N 556.712 5.991 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)cc(C)c1Br 2227424750 NHECINQZSDRVTI-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Cl)c(C)c1Br 2235602344 CVHJIHAFAORHGH-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 2235607863 HKXRDXOKAJZVNI-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE CCN(C[C@](C)(CI)OCc1cccc(I)c1)C(=O)OC(C)(C)C 2302689815 JHUVLGZNCABEJQ-SFHVURJKSA-N 559.226 5.259 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1 2313510956 GDDBKSLTMVWBFU-UHFFFAOYSA-N 526.228 6.645 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 2313521617 ZXXWWKHGVDZUME-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570809 GRDIYFYKBCSSJD-UHFFFAOYSA-N 646.081 7.624 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314447652 AKTUPTCMPXGUBJ-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1cc(Br)ccc1OCc1ccccc1 2314503949 XWBJWZJFEKFVDU-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592021 JZAQLGKBLXATMD-AREMUKBSSA-N 584.063 7.856 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Br 2314616899 MLBPPAXLRITGJI-UHFFFAOYSA-N 571.475 6.235 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617834 BQVCEOILWNHSBF-IBGZPJMESA-N 517.412 6.926 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314618629 QRSFPFYOTAROPY-UHFFFAOYSA-N 545.039 5.609 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314618675 RQBKJHKPLFHNSQ-UHFFFAOYSA-N 529.600 5.514 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634823 QHORFIXLKXQTFH-JGCGQSQUSA-N 607.534 8.188 50 10 KKGE N#CC(=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1)C(=O)NCc1ccco1 2314755138 VMMMULJBRIOYDI-UHFFFAOYSA-N 557.400 5.917 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1C 2331259024 ANLGOHLQNFUGBG-UHFFFAOYSA-N 521.598 6.494 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1OCCC 2331293403 HCMIXBDJJQTPSO-UHFFFAOYSA-N 502.680 8.191 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 2331344711 HGLBLSXOZQNWQW-UHFFFAOYSA-N 510.059 7.035 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 2331373129 CHFOPUPGJTVCJG-IBGZPJMESA-N 517.607 5.458 50 10 KKGE Brc1cc(Br)cc(CO[C@@H]2CCCCCC[C@@H]2I)c1 2337096910 JBXRMHPQXHZDOJ-LSDHHAIUSA-N 502.028 6.255 50 10 KKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362249360 XLJGSDVCAITRJQ-LLVKDONJSA-N 501.406 7.512 50 10 KKGE Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2cccc(I)c2)cc1 1022238 GMAQJVCVTMPFOK-MLVHTHFLSA-N 507.331 5.274 50 10 KKGE COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1cccc(C)c1C 20417994 FGXPXJKFFMQNPS-ORBVJSQLSA-N 507.805 5.592 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(/C=C(/C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)c1 33862701 XNUGVYKXABYGAA-MXAYSNPKSA-N 527.621 5.991 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)oc2ccc(Cl)cc12 38688231 VPVZXMQJKNVXFC-QHCPKHFHSA-N 501.882 5.740 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 100237380 VRJBKEQUJNEFLL-KVSGHJDXSA-N 551.470 7.088 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 100327924 VARHVAKBMOUEAO-HSMHNTNPSA-N 623.285 5.605 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccccc1Cl 100335745 YOOJWLVNBHMWDD-XDHOZWIPSA-N 540.845 6.302 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241393 RXGMGQWQLXQISF-UZEPBSNMSA-N 546.490 5.809 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243020 XMKVRZNUAJYGAX-CIKMBSSHSA-N 509.675 6.170 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246173 SLJYDLRHURGLCQ-FYAMCCBRSA-N 548.462 5.831 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 101337017 JFFQWEAHJISMSA-LPHATQMZSA-N 540.595 5.238 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101339417 YUAAAPDDIAHJAX-JVWAILMASA-N 573.609 5.947 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 101376117 DAMPVJZVZNCKBP-MUUNZHRXSA-N 529.549 5.222 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388213 VTGFPHRTLGXMNQ-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397451 RLXWTIWYZHPZAU-HKBQPEDESA-N 615.513 8.107 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602320 OWAWQBSBKGCUCV-QNKGDIEWSA-N 593.423 7.318 50 10 KKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 102291572 KDFOFMBIZQDCBA-DXJNIWACSA-N 548.064 5.573 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 103649625 GJHSCBNYNAQAAT-ZDLGFXPLSA-N 516.450 6.774 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 103796038 LQSOJMUTMQCKLC-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 103887302 RSABQOBGTPPLHW-NVMNQCDNSA-N 544.218 6.784 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1Cl 150441948 KWOWFOHUOZORBK-YTTGMZPUSA-N 643.092 6.781 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150463537 MVXTVEIGTHFFAW-HKBQPEDESA-N 637.903 7.437 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 164218412 CAGOOIJVCUBDFY-FTWZSJOESA-N 696.001 6.564 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)c2ccc(C)cc2)cc1Br 164602950 RCKMASNSGQLENY-ATZGPIRCSA-N 661.405 7.232 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2)cc1 210609356 NEOKTSOWGLUUDQ-RMDJZQFNSA-N 532.577 6.608 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 215685998 VVTDWWSTBCENLT-IFPXHVKGSA-N 752.933 8.437 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(I)cc1Cl 232152605 RKWXLEIYYFGVGK-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254559516 GGVNDHQGYVGGTP-SHOPSCDPSA-N 588.575 7.170 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1OC 254566198 HJGWNODYYDOIMF-UHFFFAOYSA-N 573.719 5.890 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254592324 MDVOJWGHWVMAAD-UHFFFAOYSA-N 538.677 5.964 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254705294 VFDXNSRBXPVRAM-UHFFFAOYSA-N 551.728 6.490 50 10 KKGE COc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2)cc1COc1cccc(C(F)(F)F)c1 254744856 GNMTYMUFRJEAMC-UHFFFAOYSA-N 587.392 6.738 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254763851 LCUPZWMHMJYBEU-UHFFFAOYSA-N 564.811 9.406 50 10 KKGE Brc1cccc2c([C@H](Br)c3sccc3I)csc12 311105757 TUVZZIBTEZPEBU-NSHDSACASA-N 514.045 6.814 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083816745 MHNHIGWCUNOEFZ-ZTTXAYQISA-N 578.822 7.136 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1 1083903917 RUAHQCSBMOTODK-UHFFFAOYSA-N 615.608 6.777 50 10 KKGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)cc(OC)c1OC 1084032914 FDTVGBLLRNVSOO-UHFFFAOYSA-N 524.580 5.145 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)NCCc1c[nH]c2ccccc12 1084380582 TVXRXLPJYNSIRA-PXLXIMEGSA-N 547.396 5.617 50 10 KKGE Cc1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 1084426444 IATBXLNUYYXNDH-UHFFFAOYSA-N 500.558 6.792 50 10 KKGE CCN(CC)c1c(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C)nn1-c1ccccc1 1084525428 UESQCNSWHKQCHC-UHFFFAOYSA-N 512.589 5.182 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1 1084622666 AHJOYMIVKKHDSO-RUZDIDTESA-N 709.322 5.709 50 10 KKGE Cc1cc(N[C@@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)ccc1I 1088664186 KZGXUVSABRIAOY-JEWIKEISSA-N 507.375 5.857 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694712 RBMVRWCQLYHGIC-PBHICJAKSA-N 521.171 6.215 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720872 ZOUKMYPCWALSDP-UHFFFAOYSA-N 628.818 6.058 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)ccc1Cl 1772746361 DRKKYDFXSGUTLW-UHFFFAOYSA-N 512.993 6.906 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1 1772754131 QHZZXQODVKGXQK-UHFFFAOYSA-N 538.225 5.873 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OCC 1865687119 JSTWJABLDLZIMJ-VWLOTQADSA-N 507.034 6.274 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687861 BYJVTYSSIABQEJ-NDEPHWFRSA-N 514.585 6.236 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688846 CJLHYKDUTAGUIU-JOCHJYFZSA-N 523.431 5.196 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698534 WMRFRNLTYBQFAC-NRFANRHFSA-N 523.431 5.737 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701392 UPZFHSDPHDEWOZ-RUZDIDTESA-N 572.279 7.592 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cc(Br)ccc1F 1865701797 FOHLNIYCENZFFV-OAHLLOKOSA-N 558.127 5.773 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705189 OFUIEVYXHQMDQT-WJOKGBTCSA-N 560.613 7.130 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707576 ZYWWTULQWHZDIH-MUUNZHRXSA-N 524.068 6.723 50 10 KKGE CC(C)[C@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866749092 PHLROSMFHNITQH-RRPNLBNLSA-N 535.710 6.585 50 10 KKGE CC[C@@](C)(NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046824 RMDUYSGRMOUBOW-KDYSTLNUSA-N 535.695 5.237 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868207216 JWYPMWCZPPEUDH-UHFFFAOYSA-N 535.677 5.669 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868456872 VSPYPAIYLLGIJC-UHFFFAOYSA-N 540.668 5.973 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1868505229 DGUFKPJKGCXBFJ-NHCUHLMSSA-N 518.687 5.404 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccc(C)cc1 1872792532 DUIKCUIXBOJRJI-MFKUBSTISA-N 510.659 7.786 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccccc2I)s1 1900919855 QHGLCSWVSPOXJR-SNVBAGLBSA-N 539.401 6.095 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 1906733960 NTXYCZLLPXXVND-LENIQADQSA-N 509.883 6.039 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1occc1Br 1923038234 IHEHYSUTFKBQGG-RXMQYKEDSA-N 514.258 6.766 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccccc1I 1923050461 VLIZQIPIWUCMKM-MRVPVSSYSA-N 571.297 7.015 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924599265 DVXYJTSHMYVFTN-LLVKDONJSA-N 545.960 7.817 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1COc2ccccc2O1 1924600516 QXRMTYBXYSQQND-LDYMZIIASA-N 503.437 6.156 50 10 KKGE COc1cc(OC)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924601013 IKGYUIDLLXPQTG-NSHDSACASA-N 505.453 6.381 50 10 KKGE F[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586446 QSBZEGZVTBWXEP-OKKQSCSOSA-N 513.768 6.372 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2003649648 MGDSNGQBHRCNKZ-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE C[C@@]12CC[C@@]([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2058138348 CREFWCGHOCWFIB-ZHAHWJHGSA-N 523.910 6.431 50 10 KKGE Fc1c(Cl)cccc1C[C@H](Br)c1cc(I)ccc1Br 2113462509 ARYVUPJMWBHIPU-LBPRGKRZSA-N 518.389 6.525 50 10 KKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(CCC(F)(F)F)Cc1ccccc1 2123371148 VQTSBUQNGBRWEU-UHFFFAOYSA-N 515.189 5.487 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141468337 JBXUUFSHNXQSIA-MRVPVSSYSA-N 645.607 6.717 50 10 KKGE Cn1ncc(Cl)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469889 XNRAOPNQJVUQEE-JTQLQIEISA-N 601.156 6.608 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141470322 ZVGLMNKZJFIBDI-LLVKDONJSA-N 661.671 8.353 50 10 KKGE BrC[C@@H](Cc1ccccc1Br)Cc1c(Br)cccc1Br 2150495572 NENWTQCFADZOQR-NSHDSACASA-N 525.904 6.770 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172559626 JERWXXHUJRERAJ-SREIQFSDSA-N 501.465 6.734 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)cccc2Br)c1Br 2201082193 NOOOOILITYIQAT-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC23CCCCC3)c1Br 2206396201 UFPPUKABPUYGNU-QPUJVOFHSA-N 594.805 8.143 50 10 KKGE Cc1sc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(C)c1Br 2218966274 WQMBNITWSJERRU-ZETCQYMHSA-N 513.929 7.743 50 10 KKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234069569 BNXXRELQVWKHMK-ZBFHGGJFSA-N 511.689 6.526 50 10 KKGE CCc1cc([C@H](Cl)c2cc(Br)ccc2I)sc1Br 2256056320 JQFIKMDHENHYSR-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OCC1CC(Cl)C1 2268361943 XQUAQKBBXWXEDA-UHFFFAOYSA-N 507.970 6.151 50 10 KKGE CCc1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2277891604 JJIBKCGWDDMIHT-LBPRGKRZSA-N 531.933 7.277 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 2277950944 YVKJVSQPRHHPEI-GFCCVEGCSA-N 623.746 7.257 50 10 KKGE Clc1ccc(I)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277967256 ZNCHICGACKUCCV-CYBMUJFWSA-N 579.295 7.148 50 10 KKGE COc1ccc([C@@H](Br)c2c(F)cc(Br)cc2F)cc1I 2285005697 FEOATWIUQPZBPO-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc2sccc2s1 2288494436 GTSDULUUULKQHJ-LLVKDONJSA-N 503.025 7.250 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 2295172586 DZGMYWNURISDBJ-UHFFFAOYSA-N 520.585 6.540 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=CC(Br)=Cc1ccccc1 2296677382 YHDOWAOCNUGFGC-UHFFFAOYSA-N 595.911 5.891 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(Cl)c(Cl)c2)cc1 2296734982 UQEVPOJYJRHECN-UHFFFAOYSA-N 510.421 6.094 50 10 KKGE Cc1cccn2c(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)c(-c3ccccc3)nc12 2296790935 OEEQTSYEHJOHCO-QHCPKHFHSA-N 565.699 5.705 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)cc1 2297321151 KUQJHNZBPUCOJM-UHFFFAOYSA-N 546.115 5.954 50 10 KKGE Brc1cc(CO[C@@H]2CCCC[C@H]2I)ccc1I 2306300466 AZKYTBUPFZSAKB-CHWSQXEVSA-N 520.974 5.317 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570661 CHXACPICLJDCBL-UHFFFAOYSA-N 531.031 6.629 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F 2313571576 ZKLVWOQFMMITCZ-UHFFFAOYSA-N 560.250 7.748 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 2313676921 ZEKIHYRXQDCLDU-UHFFFAOYSA-N 511.361 5.533 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593688 RCEOSUWHCUFDEN-RXFWQSSRSA-N 549.618 6.626 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314610183 DOQCCRABKDHVCU-UHFFFAOYSA-N 539.592 5.629 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314617206 SUAAKXYSRINVEU-UHFFFAOYSA-N 544.611 5.391 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)s1 2317394699 AGULMMZAXUZOLT-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(C)c1Cl 2331231899 ABJCRHXYGMNUGC-UHFFFAOYSA-N 501.051 8.399 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 2331410784 CZKVMMMNYLBXDM-UHFFFAOYSA-N 513.962 6.223 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331425105 UHSNMWAEADTPOR-UHFFFAOYSA-N 513.449 8.913 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1OC(C)C 2331434296 NXGZXBXUJJIAFT-UHFFFAOYSA-N 500.374 6.341 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1c(Cl)cccc1Br 2360424516 SYTMZLHGIFJHRS-LBPRGKRZSA-N 526.252 7.795 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2364051667 RHKXOJVOVRQXEY-QMMMGPOBSA-N 558.240 6.077 50 10 KKGE CCOc1cc(CBr)cc(Br)c1OCc1sccc1I 2364107795 VXLXOJVVWOTHEA-UHFFFAOYSA-N 532.035 5.988 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)cc(Br)c1 2365223357 MOGAGWKNSXVBFQ-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1C#N 8437037 MVMTWFRDOLZLGY-UHFFFAOYSA-N 552.812 6.462 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)c(C)c1 38603608 NZIZHZWQLHSBFK-OVVQPSECSA-N 506.606 5.805 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38659657 JFOILOOSQAGEGD-SONOPUAISA-N 528.605 5.808 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678929 XMOOWMCPBBPZGP-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38681912 DTNSUDQBCCRZKV-XMMPIXPASA-N 505.914 5.474 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OCC 38684065 DVVXPFGFPSSAHO-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCC(C)C 38684169 CINIZXKGJKNFMZ-SANMLTNESA-N 515.522 5.076 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 38701378 SGBSAPBZBYUAIX-HSZRJFAPSA-N 511.361 5.838 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 40846299 GDZYDRJJTQIJOH-BFYITVNDSA-N 532.084 6.500 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40884701 ZWGHDBGOUJDOIM-VDYLEKFBSA-N 525.561 5.203 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c(Br)c1 100174943 MUYPRZZBLVLGNA-UHFFFAOYSA-N 576.285 5.607 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 100234109 AJZPYVIPMOXHHU-SZOXOVSESA-N 550.659 5.907 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 100452264 PQHMIMVSTWSLEQ-DHCNTSDESA-N 570.698 6.952 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241033 LESAEOUEALLULI-SJCFVWOQSA-N 560.517 6.315 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101286607 BDVJVUGHDPOYRQ-YQYQDLDPSA-N 554.650 6.766 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101333603 NBHQFINOKHJCBM-NJZRLIGZSA-N 588.683 7.430 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 101338932 QBMYMGLFSLFBBY-OVVQPSECSA-N 552.650 6.782 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101340689 OUHSTVLIZOTTAB-RDRPBHBLSA-N 555.037 7.138 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1C 101362567 SVVJRLISMAYGCM-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101373769 SOUWRQIHOGIVBK-BGOLNKOXSA-N 556.659 6.589 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381708 GOHRUXCUSQZXBZ-WRGVRERRSA-N 536.559 5.996 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1F 101386663 PPUKJMHULLMMIN-GILSBLPBSA-N 548.570 6.250 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388624 FQWRSAXKCYXUCJ-UUWRZZSWSA-N 625.121 7.790 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101395906 NVKBJWKHNAWDBA-FIRIVFDPSA-N 570.642 6.008 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398101 AZMRHRYRFPBXDH-NDEPHWFRSA-N 573.432 7.018 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2c1 101398834 CETZICPTQWTPEU-JGCGQSQUSA-N 574.608 7.459 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 101479347 KHONDDLFGZAQBC-UHFFFAOYSA-N 557.696 6.872 50 10 KKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 102666261 BLFXGIMTHXWAFI-RYEBZEHMSA-N 528.848 6.712 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1F 102832662 XSZJESXWQSKGGF-UCMJSZAQSA-N 568.045 6.163 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741397 HWZSVZPFZOZJGN-XTFSCAMASA-N 526.239 5.745 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741846 PHSDKRNJRVLTAM-ABPPERTMSA-N 601.353 6.541 50 10 KKGE O=C(N/N=C/c1cc(Br)c(O)c(I)c1)c1cc2cc(Br)ccc2o1 103796299 FVGMDXGEDJEIBO-IFRROFPPSA-N 563.971 5.032 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 103887528 ZOWRXHMUYDOIFO-GRSHGNNSSA-N 617.237 6.185 50 10 KKGE Cc1c(Cl)cccc1-n1c([C@@H](C)N(CCC(C)C)C(=O)[C@H](Cl)c2ccccc2)nc2ccccc2c1=O 109382033 FJOHNWVZEOZRDK-JIPXPUAJSA-N 536.503 7.263 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 128260602 GIARYJGJXVIKLT-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 150411109 WUBRIWHHOBXJNH-DBPDFFNYSA-N 714.775 6.183 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 150497282 SQYWMKJENVPAFP-QXUDOOCXSA-N 641.127 7.573 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 163809912 ZMHWOGQYHJERKY-ODNPBWNPSA-N 816.275 8.767 50 10 KKGE COc1cc(/C=C/[C@@H](O)C[C@@H](O)/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C 206566817 UXOOAVJYBUPJAX-DQTFSMCMSA-N 600.945 8.310 50 10 KKGE in-vitro CCOc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(Br)c1 233818835 RFTUWADBTFENMM-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 235823864 REMWHXQWFFBDSE-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE CCCCCCCCCCCCC(=O)NN=Cc1cc(Br)cc(C=NNC(=O)CCCCCCCCCCCC)c1O 252622179 NQHZTXWOEUOFFR-UHFFFAOYSA-N 649.759 9.677 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252623779 OZCLACMOUVKNHI-UHFFFAOYSA-N 519.297 5.765 50 10 KKGE CCCCN(C)C[C@@H](C(C)=NNC(=O)Cc1ccccc1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254628352 BYRROZISRCQPLM-FIBWVYCGSA-N 539.676 5.713 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(C#N)cc2F)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 254701774 UMTIUERUTGDCLC-UHFFFAOYSA-N 539.636 6.061 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025157 POHNLKHHAZMWED-OWQLROEKSA-N 644.617 10.491 50 10 KKGE ClCc1cc(Oc2c(I)cc(Cl)cc2I)ccn1 384959524 HWTYSWYKQXEJMA-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 724907925 DGWQWKRYBMEAHX-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE O=C(N[C@@H]1CCCc2ccccc21)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237425 GVBBWSQNXGYUTD-NFBKMPQASA-N 506.977 6.274 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 725437585 PCYJGDBPBIROKP-HSZRJFAPSA-N 529.406 5.530 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 725446502 FIHPHYDVEIQXJX-UHFFFAOYSA-N 599.496 5.375 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1Cl 1083994142 XVSGKXZZUUIIGW-UHFFFAOYSA-N 510.830 5.377 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084053364 XYORPMFKAKHGMP-VIZOYTHASA-N 599.081 7.782 50 10 KKGE CC(=O)c1nn(-c2ccccc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(C)=O)nn2-c2ccccc2)s1 1084088305 AWEWGPHUFBCDMS-UHFFFAOYSA-N 652.852 7.850 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OCC 1084141248 QENQCVQVEFAASR-UHFFFAOYSA-N 606.144 6.605 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc(Cl)c1Cl 1084191022 QDEMXHTTZZWRJN-UHFFFAOYSA-N 555.281 5.097 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1 1084280051 YZUWTCSBILOZGQ-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 1084290548 WRSNSNUZSKVKHR-UHFFFAOYSA-N 535.497 5.441 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 1084391345 AUVLYDSUNPUABG-BBGMOVGQSA-N 553.747 6.925 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(F)cc1 1084415623 LRQMORFDXWPTAH-LICLKQGHSA-N 611.238 7.260 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084485202 RZVUTWDEDNSIAW-JOCHJYFZSA-N 613.279 6.150 50 10 KKGE COc1cc(C=NNC(=O)CCc2ccccc2)cc(Br)c1OCc1cccc2ccccc12 1084540231 OPDWVKYWVHDQTC-UHFFFAOYSA-N 517.423 6.273 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1c(Cl)cc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357914 VFDALDNQPHZBLC-MQCLNHGPSA-N 589.760 6.565 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653116 KLBDIGNUQALGRI-MEGAJRBHSA-N 564.538 7.420 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)[C@@H](NCCNCCN[C@@H](c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 1615949616 MXZLJXZAEUNNFL-NDOUMJCMSA-N 771.791 6.638 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772744579 XCHHEWDDRLLRBH-UHFFFAOYSA-N 538.398 5.250 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2)c1cccc(C)c1 1772748514 QYKSOUVLCYHGFJ-UHFFFAOYSA-N 508.962 5.595 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 1848703400 JLDCYPYVMUNTNF-GHGUQOEDSA-N 722.687 11.403 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683484 FQAXDTSWKJMTJA-HSZRJFAPSA-N 547.840 6.241 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865694560 XCDHFWOVHPRKLJ-SANMLTNESA-N 510.569 5.753 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865697234 YCYAOHBLFJFFHZ-HSZRJFAPSA-N 526.559 6.136 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865702980 JXPRJNIMMVZNFP-DEOSSOPVSA-N 534.513 6.195 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704905 HKVYDPSCTBIUQG-SANMLTNESA-N 524.552 5.079 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707668 CMAJMUKWQBZIQV-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712080 PARJSTMYFRMCQM-DEOSSOPVSA-N 533.415 6.141 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714593 MWYLQCWZNXXUCF-AREMUKBSSA-N 549.428 6.682 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866690231 QVABLTHRSMZXFT-NSOVKSMOSA-N 524.621 5.486 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034052 QPZKFFLJKFFJKN-YADHBBJMSA-N 556.486 5.549 50 10 KKGE CC[C@@](C)(NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867087992 MYESNRAXWMNMPK-SSEXGKCCSA-N 524.646 5.570 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)\c2ccccc2)cc1 1872745697 ZBXWONJPKNQYDI-ANAQSOOESA-N 518.682 8.510 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OC(=O)c1ccccc1 1872782329 DUYZERNVTIAUQS-OVVQPSECSA-N 514.606 7.769 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OCc1ccccc1 1872792988 BSUSCTGUBPGXMT-NLRVBDNBSA-N 516.622 8.254 50 10 KKGE COc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924599384 GSESRTBRDPXNSK-SNVBAGLBSA-N 554.323 7.135 50 10 KKGE FC(F)(F)c1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924614972 USKRBOHWSRTKBV-ZETCQYMHSA-N 519.427 7.444 50 10 KKGE FC1(F)C[C@]12C[C@H]2[C@@H](Br)c1c(Br)sc(Br)c1Br 2004505624 CEKRBKNRVTZKGT-MYCDHDFLSA-N 515.837 6.517 50 10 KKGE CC(Cl)=CC[C@H](CC=CNC(=O)[C@H](NC(=O)C=CC=C[C@@H](C)[C@@H]1CC=C(C)C(=O)O1)C(C)(C)C)O[Si](C)(C)C(C)(C)C 2060405693 AIDDXVULOZKDQT-CDDNLWLVSA-N 621.335 7.471 50 10 KKGE CCn1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)n1 2060855625 JDQUSASESRGJQW-SSDOTTSWSA-N 542.316 6.343 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1ccc(Br)cc1I 2086139340 NERYBDVOECYNES-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE Brc1cc(I)cnc1N1CCCC12CCC(Br)CC2 2137559859 OXNYWLLRPYIXHA-UHFFFAOYSA-N 500.016 5.125 50 10 KKGE CO[C@@H]1CC[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474083 XBFYTQOPQUHSMR-MATHAZKKSA-N 584.766 6.988 50 10 KKGE COc1ccc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2142286433 CKTZMUVSOLOZTH-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2sc(Cl)cc2Br)c1 2217420713 INNUUROKTZTGLW-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2Br)c(C)c1Br 2235601587 AQQCDBPGOIOMLM-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2sc(C)c(C)c2Br)c1Br 2237630789 AFGWFKUJXZEXLT-CQSZACIVSA-N 501.509 7.597 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1Cl 2268266799 WYYXQJFYFFPFLE-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(Br)cc2I)c1 2277957768 WTYQJJJXJPLOPA-ZDUSSCGKSA-N 623.746 7.257 50 10 KKGE COc1cc(OC)c([C@H](Br)c2sccc2I)cc1Br 2278033551 HVKGNOSZHUNNFS-LBPRGKRZSA-N 518.008 5.617 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2279047519 MMFFKLHYUUAYIN-CQSZACIVSA-N 506.392 6.697 50 10 KKGE COc1cc([C@@H](Br)c2ccc(OC)c(I)c2)ccc1Br 2284995971 FMQKBPJIVIHIPX-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2289144002 ZEESMBXRAFKVQM-JPLJRGCISA-N 552.326 6.832 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=CC(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293775046 OOEFJWPTKXCMDU-UTDOSVMLSA-N 639.126 11.358 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc2ccccc12 2295459689 NTMQCXDAPCHCTN-UHFFFAOYSA-N 564.947 7.676 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296053645 UIYQJJPTFGQQDV-XMMPIXPASA-N 556.902 7.329 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC(C)C)c(OC)c1 2297458425 WRQYTIPSBUXESM-UHFFFAOYSA-N 525.026 6.587 50 10 KKGE Fc1cccc([C@H](Br)c2sc(Cl)cc2I)c1I 2300957506 PCRCENOMNNGWIH-VIFPVBQESA-N 557.391 6.234 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518872 XNQUVHWIGSAHPR-UHFFFAOYSA-N 607.275 7.348 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313567287 ICMJJEFHAFBQCZ-UHFFFAOYSA-N 581.308 6.046 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(I)cc1 2313568123 RPZMKTPZPZVSTM-UHFFFAOYSA-N 672.361 6.287 50 10 KKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)ccc1Br 2313571133 NYWMMHGKSKLPJK-UHFFFAOYSA-N 503.227 7.018 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 2313571562 ZCFPDUFMVYLINR-UHFFFAOYSA-N 507.373 6.545 50 10 KKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 2313631914 YYCZNMSSKKAQMK-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 2314479231 GNMYMOCWXZGPRA-DEOSSOPVSA-N 586.739 5.607 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 2314532828 MUALIGJHYACWMV-UHFFFAOYSA-N 506.606 6.255 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593368 LYWXLHRKKPHYAK-NIYFSFCBSA-N 584.063 7.279 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618472 OFFKEUSBLQCGKQ-UHFFFAOYSA-N 552.675 5.901 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 2314770925 HTXMECWIYNITPV-FQEVSTJZSA-N 516.594 5.572 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccoc1Br 2317394929 CSDYBNAPKAMHCA-SECBINFHSA-N 505.801 6.499 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1OCCC 2331293565 ZIZBKVWNOSNUAC-UHFFFAOYSA-N 515.462 8.201 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCCN1CCOCC1 2331443773 SPLCEAWFPDTPHO-UHFFFAOYSA-N 516.450 5.901 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCc1ccccc1 2331474826 MTLYWPTUNCYGTO-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)s1 2364038198 YMVPNDATQUNVTL-MRVPVSSYSA-N 551.924 5.790 50 10 KKGE C=CCc1cc(C=NNC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)cc(OCC)c1OCc1ccccc1Cl 8451703 WIIJPZOOUQEEJQ-NDEPHWFRSA-N 568.139 5.941 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739812 BXLJUAWEPNDVRT-CTHAODRQSA-N 508.430 6.367 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(C#N)/C(O)=N/c3ccccc3C)N(c3ccccc3)C2=O)cc1 33416692 GIPNXPDQLYGUIN-ZDDKYUFNSA-N 511.603 5.886 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCCC2 35484936 PHAHVUMHVWWJDA-HEHNFIMWSA-N 522.630 6.202 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38650826 AQFFDTSLSHDQTM-CLYVBNDRSA-N 502.542 5.596 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38683712 OUYNAPFFGKPVDQ-GDLZYMKVSA-N 516.553 5.429 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38700657 RXPGPPTXZWYMOF-MHZLTWQESA-N 508.574 6.584 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824035 OKAUWNDTCUXLOL-JGRMKTMXSA-N 518.539 7.242 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC#N)c(Br)c2)cc1 59303570 WPDLCDPISGYUAS-UXHLAJHPSA-N 513.395 5.882 50 10 KKGE O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl 59500448 ZMHSVMIPPHGJMG-ZMFRSBBQSA-N 506.183 5.668 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914956 BSHPCPWDLVIOAH-MHZLTWQESA-N 501.067 5.550 50 10 KKGE C/C(=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)cc1 97991494 JKNYPRFGGSGMKO-CEUNXORHSA-N 502.665 5.579 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 100142122 CEKISYYQHFXVLM-YBFXNURJSA-N 526.228 6.645 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100192390 QKHXZXLUXSQOGX-UHFFFAOYSA-N 556.295 5.384 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 100237819 ZTXXMXJXNHHDPN-JFFJSXPNSA-N 622.887 5.895 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243685 FTNRTOHMGSYHAL-YREPVXKUSA-N 552.483 6.306 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246466 FDBLTGOPVDJNIO-DBTLDAOKSA-N 552.483 6.629 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)C1=O 101333059 QBYVIXOLINVVFT-HZHRSRAPSA-N 515.013 5.984 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101337126 QUJYVZDKNXVJGQ-GPTKXHSTSA-N 588.639 6.029 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101340383 LMGDQIXYJCFCTP-CVKSISIWSA-N 591.491 6.815 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 101375246 LAIQHFYLNDFHCY-PMERELPUSA-N 526.633 6.790 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 101377179 PPSYOSSBRVPNDY-GDLZYMKVSA-N 533.024 6.420 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380261 PZLHIQXMBPABCP-VTWXSQTASA-N 587.434 7.548 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383941 JVHQHVDVHBGFMX-XMMPIXPASA-N 612.482 6.303 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385237 HSDXDKQHBJDBAQ-UOUHTQAHSA-N 613.497 7.726 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 101386942 JZXDEEAGUAWFHP-WJOKGBTCSA-N 536.559 5.780 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)oc2ccc(Br)cc12 101394091 PGYZKUAJXZIMLI-HSZRJFAPSA-N 580.232 6.704 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101395027 QXMDCQAIATWZAA-DEOSSOPVSA-N 599.923 8.478 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101397164 XWTGZLJSCAXNMK-NDEPHWFRSA-N 607.559 8.995 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610271 BQUSQRBVNQLCCF-MULCNKJOSA-N 604.106 8.275 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 101713654 XXVWLUMEUJWXMP-FDAWAROLSA-N 545.433 6.233 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCCc1ccccc1 101766159 XAZXHOPKJVADLN-WKULSOCRSA-N 545.861 5.879 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(Oc3ccc(Br)cc3)nc12 102847332 FUTMOBPHBYHXBD-SSZFMOIBSA-N 515.392 6.232 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 103742372 DNSRARIWDBTRQC-GUNDDFSMSA-N 533.009 5.033 50 10 KKGE CCOc1cc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442544 FYKSDNYECDUPCC-CLHYIUPASA-N 684.543 7.072 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC(=O)c1cccc2ccccc12 150577897 CMXWDGFYVJKYFF-WQRHYEAKSA-N 651.267 7.046 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1 164646123 IWPXJXHTUFMQSO-FDALDRLYSA-N 734.432 8.561 50 10 KKGE C=C1C[C@H](CCCO)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]2CS(=O)(=O)c2ccccc2)O1 198521862 PPPCYASYTNJMTF-VSRPWGLLSA-N 851.349 9.668 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214339174 JLBRGCKUBNFURO-MGVXIEOLSA-N 558.707 7.395 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249151 CVJFOAJMVFIZFB-QOCHGBHMSA-N 524.974 6.112 50 10 KKGE CCCCOc1cccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)c1 252626818 RGDPOJDURVPVNC-UHFFFAOYSA-N 536.676 7.219 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254381893 MTUYULWYLPENNU-UHFFFAOYSA-N 635.790 7.070 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)n2-c2ccccc2)cc1 254790340 DXOICCPSMFETTB-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(C=NNC(=O)CSc3nnc(-c4ccccc4)s3)cc2)cc1 256028301 DTDXAEMSFABFKM-UHFFFAOYSA-N 516.692 6.324 50 10 KKGE Clc1cc(I)c(OCCCCBr)c(I)c1 389658201 ZYEGTSOTHPIJFG-UHFFFAOYSA-N 515.354 5.103 50 10 KKGE CC(C)[Si](OCC(=O)[C@]1(O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C)(C(C)C)C(C)C 504170639 DRHJQOZLRXWLKW-ZMQMXDIBSA-N 707.129 9.020 50 10 KKGE C/C(=N/NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408971 ZXDUBFFUOGWFSM-FNGHPBEGSA-N 655.796 5.706 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 575627440 WAXZORJPNLBJCF-ILCBKPSASA-N 516.927 9.389 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616595631 WMRCXDUUAVIVJO-LJAQVGFWSA-N 525.926 8.767 50 10 KKGE Fc1ccc2nc(CCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1Br 689713394 ZCJVLYLNYJIBRC-UHFFFAOYSA-N 500.843 6.769 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)c(F)c1Br 691542867 RHSFRTUCBHDZKG-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1scc(Br)c1Br 705449307 YPMYTUJBDUEPOV-JTQLQIEISA-N 537.868 6.668 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)c(F)c1F 705478426 WKWULYCCKGQARY-MRVPVSSYSA-N 543.822 6.937 50 10 KKGE COc1ccc(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 725385477 WKFQIFLQBGAYAX-UHFFFAOYSA-N 517.807 5.392 50 10 KKGE COc1ccc(C2=NO[C@H](Cc3c(C=NNC(=O)c4sc5nc(C)cc(C)c5c4-n4cccc4)c(OC)c4c(c3OC)OCO4)C2)cc1 1081098339 GCXKTWWVQNNRKJ-HSZRJFAPSA-N 667.744 5.958 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083909189 CUHQXYNRZLCICQ-UHFFFAOYSA-N 552.572 5.973 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(C(=O)O)cc1 1084006784 NRMVSCHDGUZXEQ-WGOQTCKBSA-N 535.600 5.448 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084006812 VRCCYPIWVQKCDI-UHFFFAOYSA-N 554.293 6.586 50 10 KKGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084154780 BFPNPNMGOKDNRM-RIYZIHGNSA-N 589.213 5.484 50 10 KKGE N#C/C(=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084206977 PGDXJAXCQDPAAX-RELWKKBWSA-N 524.024 5.189 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(Cl)cc1 1084303311 JCPOBSFYNPCIFV-UHFFFAOYSA-N 513.859 6.976 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 1084428772 BYSKBZWULNWAQK-HAVVHWLPSA-N 502.412 5.284 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1ccccc1Cl 1084616849 NYMUNHZLGUMXCI-UHFFFAOYSA-N 582.129 6.527 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1 1084649001 GQEMAOYUFWAZKZ-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nn(-c2ccccc2)c(N)c1C#N 1615168910 KJNCIAHRECCUSL-GXDHUFHOSA-N 501.300 5.321 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@H]2Br 1772721803 YPMAEAXWRRXLMA-BWPJVOTBSA-N 633.057 6.793 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1C 1772748509 AOXCDBVIWXLOBK-UHFFFAOYSA-N 514.409 6.000 50 10 KKGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755210 UQWYKYKTSPPVRX-UHFFFAOYSA-N 576.582 7.173 50 10 KKGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848434810 NMNGXZIYPJHWNQ-RRFIBMDXSA-N 793.786 6.704 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683819 IURZMCJDVBHDOZ-QHCPKHFHSA-N 532.959 5.332 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865686515 WULNSLDNBHNZEO-HNNXBMFYSA-N 530.131 6.179 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OCC 1865687262 NFWKWOFQYPJQBS-AREMUKBSSA-N 504.606 5.819 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccccc1 1865687594 VQBBRKUXNBWOHF-JOCHJYFZSA-N 519.483 5.092 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688010 GKACLVPOXXKNJE-NRFANRHFSA-N 527.394 5.108 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689454 SIBOACSLEITXKR-JOCHJYFZSA-N 539.806 6.432 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690543 UIMIETDDXZZJOF-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865700809 DTUWPKVUKJRIRO-QHCPKHFHSA-N 571.386 7.304 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703810 GGEDKEFQYVPISR-PMERELPUSA-N 530.603 6.583 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712651 DRYBHXTWSAMCGF-QHCPKHFHSA-N 531.931 5.526 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714298 GSANCXWXVHVPMD-DEOSSOPVSA-N 544.995 5.201 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1866127436 IHWWEMLEGUNRKD-XDJHFCHBSA-N 522.554 5.154 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866767163 PYMUPECSKJKAEK-IXCJQBJRSA-N 549.737 6.894 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009982 AXWKKIOKBJDPBV-WUFINQPMSA-N 529.662 5.614 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 1872791012 QOBWTAMEABDZRL-HAVVHWLPSA-N 505.640 5.383 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCC)c(OC)c3)n2)cc1 1872791390 HFXKXETTYNWIAY-NCELDCMTSA-N 504.696 8.411 50 10 KKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915171829 HLMSEYOPYMEZRR-QGZVFWFLSA-N 542.120 6.120 50 10 KKGE [C-]#[N+][C@@H](C)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951429482 WMHYSTIWSNECNE-ZETCQYMHSA-N 623.998 5.828 50 10 KKGE CC(C)(CCF)[C@H](Br)c1c(Br)sc(Br)c1Br 1989218016 DUDOGTOKMKJXLR-SSDOTTSWSA-N 501.879 6.857 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)cc1Br 2033076807 ZHIBMKMFVUDBNX-GFCCVEGCSA-N 501.842 5.500 50 10 KKGE CN(C)c1ccc(P(=NN=C2C=C(Cl)C(=O)C(Cl)=C2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 2059865163 HEMCNLXNWMXNSH-UHFFFAOYSA-N 580.500 5.546 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(Cl)ccc2Br)CC1 2080305373 URSUWOQIWXQYLI-UHFFFAOYSA-N 544.655 5.824 50 10 KKGE ClCc1nc(Oc2c(I)cc(Cl)cc2I)ncc1Cl 2089806998 ABGCRUDMNGTGEF-UHFFFAOYSA-N 541.341 5.524 50 10 KKGE O=C(Nc1c(I)cc(I)cc1I)[C@H](Br)C1CCCC1 2110720022 AIDUZTHDCMPDCH-LLVKDONJSA-N 659.869 5.393 50 10 KKGE Brc1cccc([C@H](Br)CCc2ccc(Br)cc2Br)c1 2113489511 POYNNOYXANKASI-CQSZACIVSA-N 511.877 7.043 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141468338 JBXUUFSHNXQSIA-QMMMGPOBSA-N 645.607 6.717 50 10 KKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471346 QIVRYBWHVJJHMI-BUYFANAVSA-N 584.766 6.845 50 10 KKGE Brc1ccc([C@H](Br)c2csc3ccccc23)c(I)c1 2142289264 XXXDEEYPZFRWBK-HNNXBMFYSA-N 508.016 6.753 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(F)c1Br 2142291346 KRCMHERZPFATMD-NSHDSACASA-N 566.803 6.579 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)cc1OC 2150344947 XBAJNFJYHDNFRP-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE ClCc1nc2cncc(Br)c2n1-c1cc(I)cc(I)c1 2151790917 SPRTYZPJQPHZJX-UHFFFAOYSA-N 574.385 5.131 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCC23CCC3)c1Br 2206396998 DACCPDYDLIXKHQ-PRHODGIISA-N 594.805 8.143 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23CCC(CC2)CC3)c1Br 2206397808 MZIFMZLJOVIGHO-OOCCNLOMSA-N 594.805 8.143 50 10 KKGE Cc1ccc(F)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405864 RKXNEDAZDUHJKS-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2207261296 KKNZEMDIEUXUQR-CYBMUJFWSA-N 595.294 6.963 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Cl 2207270297 AIMQPKIAJLLIJR-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE Clc1cc(C[C@H](CBr)Cc2cccc(Br)c2)ccc1I 2208045718 RWXGKBXKYVYVRR-CYBMUJFWSA-N 528.453 6.503 50 10 KKGE Fc1cc(Br)cc2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2213040527 HMVIBNTYSOEBHG-UHFFFAOYSA-N 500.843 6.769 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2234063843 COVDYULVAZWMOZ-IUDNXUCKSA-N 512.673 7.029 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1 2241001301 NYRPHQGAGCLEQP-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)cc1I 2257369746 OSSYXNNGLSHUBH-AWEZNQCLSA-N 528.953 5.389 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)c(C)c1F 2279138632 CNUFFNYBVXLVCM-CQSZACIVSA-N 576.867 7.056 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198217 KWHGGSNGLINKGV-NRFANRHFSA-N 542.842 5.438 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC 2293202117 FGTJNAFWRXPSKC-UHFFFAOYSA-N 543.611 7.266 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccccc2)cc1 2293547214 JOAOVYPNIFOUOA-UHFFFAOYSA-N 532.467 5.873 50 10 KKGE N#CC1=C(N)OC2=C(CN(C(=O)OCc3ccccc3)CC2=Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 2297457113 GYSRQUVOKYQRFD-HHHXNRCGSA-N 511.528 5.763 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(I)cc2C)ccc1OC(=O)c1ccc(Br)cc1 2297708188 MHLPRTNRHKFKEG-UHFFFAOYSA-N 637.268 5.427 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568130 RTQDBRWUMVRGCH-UHFFFAOYSA-N 606.318 5.918 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 2313568182 PEUGXANWUBZMDU-UHFFFAOYSA-N 521.444 7.554 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 2313738606 JRUMIDBOUXCGGB-UHFFFAOYSA-N 515.329 6.901 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592132 MJGPYBHPGVXATF-HHHXNRCGSA-N 511.647 6.076 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592182 NLRBNXNSEDRVSN-MUUNZHRXSA-N 509.675 6.746 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314617402 XQMVGRJTSWKNFB-UHFFFAOYSA-N 532.644 6.338 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314617847 BUXAPMWBQOTWHZ-SSEXGKCCSA-N 588.639 6.029 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314619557 BIPSUQBUIKIWIO-UHFFFAOYSA-N 518.548 5.479 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1Br 2316170755 LGZMNHSXYSRVQU-SNVBAGLBSA-N 537.962 7.534 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331237930 UAQLSAGGPLUINM-UHFFFAOYSA-N 521.041 8.702 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1C 2331364463 FROIEKLGWJRVGR-INIZCTEOSA-N 517.876 7.720 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(I)c1 2339639598 NYMKRFJUEKAPGB-CYBMUJFWSA-N 518.389 6.592 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)sn2)c1Br 2339657472 YGWLXWJIVGNVBD-SNVBAGLBSA-N 534.893 6.232 50 10 KKGE CC1(C)CCCC[C@]1(CBr)Cc1ccc(I)c(Br)c1 2349843921 AEQXDVQOFBHHKS-MRXNPFEDSA-N 500.056 6.578 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)c(Cl)c1 2360427096 REAQHKKFZBXFJQ-NSHDSACASA-N 526.252 7.795 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(I)c1 2362222798 DPKWUHWPIKBDKN-LBPRGKRZSA-N 556.797 7.076 50 10 KKGE Clc1cccc([C@@H](CBr)OCc2cc(I)ccc2Br)c1 2367602107 PQSIOXUOLFRILE-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE Brc1cc(CN2C[C@H](Br)C[C@H]3CCCC[C@@H]32)ccc1I 2377317638 PXXLXGQWSACWIC-IOASZLSFSA-N 513.055 5.582 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1cc(I)ccc1Cl 2380520980 BLFLLGIUHSBOPS-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2cc(Br)sc2Br)c1 2381248415 WFSMVMVYOAESHT-LBPRGKRZSA-N 503.481 6.935 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 38606304 OENMNTDSFQAILM-LFVJCYFKSA-N 528.584 5.096 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)oc2c1 40530277 NPZLGRDESSITOI-MUUNZHRXSA-N 506.602 7.093 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O[C@@H](C)CC 59104484 WRICQQLPLBYPCS-RONKMWSCSA-N 510.432 5.772 50 10 KKGE COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12 59410721 CXRJJNJOBHZQDL-PPOKSSTKSA-N 500.598 6.710 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232118 QTRRQGNGFDYNKH-GXZQEHIMSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 100235453 VDIIJDVFSLQRFA-WGNDPNKDSA-N 545.861 6.044 50 10 KKGE CC[C@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100251167 CVKPDWCXBGDNEC-AWEZNQCLSA-N 550.247 5.382 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 101012160 GOXPXVUHRSFOCF-MIXAMLLLSA-N 586.500 7.763 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245758 NEKOXQRFXYZHAJ-UZEPBSNMSA-N 551.590 6.478 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246067 OMRRPAPAISIMOI-SJCFVWOQSA-N 560.517 6.946 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246761 NQDMGFUUAQPVCA-DBTLDAOKSA-N 568.482 6.466 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336411 SOPNDIFBUQTDAH-AFUMVMLFSA-N 560.570 5.034 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC 101339369 LVBRAIXOSMQWPF-WGOQTCKBSA-N 552.627 5.435 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1 101367269 FWOKUMIUOFWJAE-LJAQVGFWSA-N 583.438 6.474 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccccc1Br 101370491 PHZUOTWMPDFPBW-OAQYLSRUSA-N 526.730 5.448 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101375078 LTOUHVBAQJKZEV-UUWRZZSWSA-N 562.666 7.030 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383217 PWLWCWACNDYPNU-CAXHOMQVSA-N 603.889 8.063 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1 101392888 LKSWETLXPBMMQA-LJAQVGFWSA-N 595.076 7.580 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 101397203 LIVVGYHDJXGPRD-SSEXGKCCSA-N 571.073 8.181 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)cc(C)c6c5C)ccc43)c2)cc1 101398284 BPCZGBMPHCUVSX-XIFFEERXSA-N 570.645 7.683 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 102850022 YUFVKIYZIMMJAV-ULJHMMPZSA-N 513.619 5.740 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c(C(C)C)cc1Br 105360344 GFWXJWRCPBIBSJ-UHFFFAOYSA-N 570.322 5.680 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 128878536 MSPWFKKWGRLJNP-VIFPVBQESA-N 509.908 6.890 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2cccc(C)c2-c2c(C)cccc2P(C2CCCCC2)C2CCCCC2)cc1 148157275 UQQWBSQYHUEYNS-UHFFFAOYSA-N 590.772 10.118 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1 150431747 QVWBIMYBZABQPO-APTYXWLQSA-N 636.914 6.285 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 164625829 PXVNXIPWAABFCJ-NNLKUIAGSA-N 638.993 8.940 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 205669148 QALGBORQYKUNLA-BRNRZMGGSA-N 548.570 6.250 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2csc3c(Br)cccc23)c1 232481871 WMZJCILNAJRPJN-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)cc1 254384747 FOZSMQNUMSGCJD-NCEZWUEJSA-N 611.496 5.656 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254420907 YZCLCGIBSMTOSY-UHFFFAOYSA-N 536.748 6.795 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254697918 CGDFSEWTDDZITJ-UHFFFAOYSA-N 579.634 5.632 50 10 KKGE C[C@@H](NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C)c1ccccc1 256019341 VPSLBEBEEITLMB-YATPDGEBSA-N 508.092 5.550 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C)cc1 256028591 WPRTZFADGVCHCA-UHFFFAOYSA-N 518.664 5.734 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146240 CYABQVXMGTVARC-KWFJSACZSA-N 845.308 9.000 50 10 KKGE Cc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)cc1Cl 395575088 PLTXBOGJQIMXEU-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1 725238324 RSWCJAGUSCXDRW-RUZDIDTESA-N 541.079 7.574 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 725433464 ZLLMIMVUHPSHBZ-JOCHJYFZSA-N 576.285 5.763 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1083977310 OWQPJMWOKVREOX-UHFFFAOYSA-N 555.495 5.120 50 10 KKGE C#CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084018137 LKPLUSJBBIFNNY-UHFFFAOYSA-N 589.433 5.842 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(I)cc1 1084050613 BBESHZZSYZDXMC-PXLXIMEGSA-N 658.334 5.897 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 1084205513 GLFIWUGLYPBEGS-JGCGQSQUSA-N 566.698 6.909 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 1084285212 CKEDCVIBLCZNDG-UHFFFAOYSA-N 644.090 7.450 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1 1084289338 IVAFJAZPPLQVCG-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Br)c1 1084545183 KDFWXSRPPPDCJQ-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@H]4C(=O)NC(NC(=O)COc5ccc(C(C)(C)C)cc5)=N[C@H]43)[C@@H](OC(=O)COc3ccc(C(C)(C)C)cc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 1565534947 FYWQQKYFOAURRE-AKDGGRRNSA-N 908.255 6.973 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@H](OC(=O)CCCCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536201 PZBUHTHCCFTXDY-LWQPMMSOSA-N 658.644 11.169 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Br)CCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537077 UAMJDBHGEBLGGF-VEETZKFFSA-N 579.773 10.898 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865681164 GPPIIILBDHBMIH-DEOSSOPVSA-N 549.414 6.177 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686345 VAPILAKIINZHQI-NDEPHWFRSA-N 504.634 6.565 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1c(Cl)cccc1Cl 1865689229 NALLHCLFNCKXPK-MHZLTWQESA-N 565.432 6.492 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccccc3)cc2)cc1 1865694525 YTYXWLJDVPPULX-SSEXGKCCSA-N 524.624 6.704 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701877 HENKELDJIOWYCK-QHCPKHFHSA-N 565.830 6.380 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)c1 1865703358 URAIXCKPVAMSTJ-MUUNZHRXSA-N 511.025 6.307 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703896 IECWRTWFVCCFCK-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712002 NKEWQBVEBPLIBH-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(OC)c1O 1865714461 LBRFOVLANIFMQK-SANMLTNESA-N 516.557 5.633 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1866798290 JOIRBCXMYQETTR-VWLOTQADSA-N 536.451 5.871 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccc([N+](=O)[O-])cc43)nc(-c3ccc(Cl)cc3)n2)cc1 1868433875 SXRQGUYCSJTJKJ-UHFFFAOYSA-N 500.971 6.716 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754130 DQUWPIMQOBACCZ-IOTIXCTPSA-N 501.608 5.939 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1 1872757934 CYNZRQSRHWUNIJ-IYKHAPDZSA-N 502.242 7.201 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)n2)cc1 1872784482 OGPKJSAERLFKNP-RGVLZGJSSA-N 523.441 7.777 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc(Br)c1OC(C)C 1872792675 KZYCNSXYAGHRLC-GIJQJNRQSA-N 513.457 7.058 50 10 KKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872795322 ZBCORVCQDARIGV-KGENOOAVSA-N 513.449 8.913 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 1922932147 JBIZBHLBJJJBDW-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3c(c2)COCC3)c1Br 1924570024 DFPMRXNLMISCFI-NSHDSACASA-N 545.916 6.593 50 10 KKGE Cc1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924571659 TXTFTRDBHPSEIT-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595843 FQRCKBRPIUBGTJ-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE Cc1nc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)s1 2003567542 FMIAGPKMRXLPPC-SCSAIBSYSA-N 545.341 6.938 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1sc(Br)cc1Br 2003649169 HDKQPHMODHYVNS-JTQLQIEISA-N 554.842 6.501 50 10 KKGE Cl[C@@H](c1ccsc1)c1c(Br)c(Br)cc(Br)c1Br 2025781257 FKFKFEUWYHHPSZ-NSHDSACASA-N 524.297 7.126 50 10 KKGE Brc1ccc([C@H](Br)c2sc(Br)cc2Br)c(I)c1 2026211519 MHBNKSFMTNWQJL-JTQLQIEISA-N 615.748 7.125 50 10 KKGE C[C@H]1C(c2ccc(CO)o2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12 2037697991 OMTRYCZZHBEHAL-SMGXNKOPSA-N 556.688 5.022 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Br)s1 2039503786 SNPGCMCAECQDSH-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1occc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495673 RUVZIMZWNMEELO-SNVBAGLBSA-N 566.707 7.122 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1I 2086023317 MAEDGOAEFCSZFP-SECBINFHSA-N 629.775 7.433 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2109668995 DNOOCZAMEPFOTB-VIFPVBQESA-N 509.872 7.073 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206396850 BMESISPWWSGQHE-LBPRGKRZSA-N 592.745 7.230 50 10 KKGE Fc1ccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222472506 PDPNOFCRUXNZPY-QMMMGPOBSA-N 521.869 6.853 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)ccc2Br)c1 2224056007 TUTCEFFXGFASRJ-CQSZACIVSA-N 500.399 6.453 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)s1 2224781057 CWEKRZVHFMROQE-ZDUSSCGKSA-N 516.036 6.136 50 10 KKGE Cc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1I 2238077426 TVOROXVVOYPCST-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE COc1ccc(Br)c2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2270562160 OIQWFMRBKLMPFF-UHFFFAOYSA-N 526.906 6.681 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccc(C)cc1 2293559213 SWKQSMUNCBSYNS-UHFFFAOYSA-N 538.438 6.695 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(=O)OCC)c1C 2296790175 USVRVLXJEZZYDY-UHFFFAOYSA-N 517.632 6.663 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)cc(I)c1OCCOc1ccc(Cl)cc1 2297499456 GKQZWWQAKMTJIU-UHFFFAOYSA-N 578.790 5.227 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2)cc1 2297551344 CCYALVZVZGPOLK-UHFFFAOYSA-N 522.311 5.131 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(OC(=O)C=Cc3ccco3)cc2)c(Br)c1 2297672198 QIKZTUPPTRYLQA-UHFFFAOYSA-N 562.214 5.261 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Br 2299534732 HDQZMCPEZLTRGY-GOSISDBHSA-N 531.107 7.645 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 2313510935 FEEVKQKOABCTKZ-UHFFFAOYSA-N 513.391 6.736 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521563 XABRHVGVWGWBDR-UHFFFAOYSA-N 536.382 6.189 50 10 KKGE O=C(C=Cc1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2313530247 ZGHWQCQGIIIMCQ-UHFFFAOYSA-N 568.427 6.084 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 2313567992 NDCHDVYGPAFEPK-UHFFFAOYSA-N 699.124 7.091 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)c1 2313667762 VMILPZFFOBWOEY-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 2313671283 YKLHQKIHCDXWBT-MRXNPFEDSA-N 530.249 7.119 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449255 OPSDZLOBWSWIIK-IBGZPJMESA-N 545.496 7.928 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C1 2314479454 XEIMDICQGLNRNX-HSZRJFAPSA-N 572.712 5.298 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2314503276 QSBRQUHNOYEBDS-HXUWFJFHSA-N 531.590 7.100 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2314571669 JXALQPPRBHFGRJ-UHFFFAOYSA-N 502.279 7.366 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314617075 QFNKJPFITRIWST-UHFFFAOYSA-N 603.122 7.697 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314617237 UJXCVTRMMZJGLQ-UHFFFAOYSA-N 625.128 7.607 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314720097 DZVVVRYJOXPYOL-UHFFFAOYSA-N 528.992 6.175 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 2314770517 FSYFDJKEOHEPEB-LJQANCHMSA-N 522.985 5.545 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)c2ccccc2)cc1 2331362301 URTNNFRPMIRJOY-UHFFFAOYSA-N 508.643 7.868 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 2331443806 YESKIGHEKWDWHG-UHFFFAOYSA-N 521.469 8.467 50 10 KKGE Cc1cccc([C@H](CI)OCc2c(Br)cccc2Br)c1 2366144918 KZRWRMXTXUNUAO-INIZCTEOSA-N 510.007 6.213 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)cc1COc1ccc(C(=O)OCC(C)C)cc1 1950134 ITHVMVAKWFMKDI-IPPBACCNSA-N 510.974 5.210 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 16739792 ZJOLYYLRFOXWMF-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651784 LDLRBCHFPUZYBE-SANMLTNESA-N 519.395 5.775 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38658191 WWYJXLASGXQSJP-MHZLTWQESA-N 516.981 5.724 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680659 FMXYMIBUKDZRKY-LMKMVOKYSA-N 506.961 6.194 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38701461 VJTPZBIAPZWDDE-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826953 DRSUYZIXQCNGMS-WEMUVCOSSA-N 527.577 5.389 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C)cc1 58895367 GNKROIFDLFMLMA-LXVMRCOFSA-N 530.665 6.064 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1 59335600 OSCDKSNYCVNPQP-XKZIYDEJSA-N 505.412 6.589 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100189108 OMORIZQKDWXQBJ-UHFFFAOYSA-N 583.508 5.138 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1 100453139 RXMHPYDXMHJSAK-CHVMBPBASA-N 593.259 5.597 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 100883477 YHXXOIMXRNIACL-QOMWVZHYSA-N 575.068 7.716 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034039 CEZYEDOQYFLIJY-UDWIEESQSA-N 567.457 8.140 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367488 VVLSQMWUMFASKP-JGCGQSQUSA-N 562.622 6.500 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373928 CZGUKHGOSHHKIH-CDFXGTJGSA-N 566.698 7.399 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374565 IIHIOIKUDHYJJQ-QMXJSZARSA-N 580.725 7.789 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 101374646 WWPPVJUPKBWGQM-YTTGMZPUSA-N 570.686 7.126 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCCCC)c(OC)c2)cc1 101375439 DBMGFGBURGYZDN-JGCGQSQUSA-N 568.670 7.047 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387263 KSWLWKOZBXWYKJ-JGCGQSQUSA-N 601.030 6.578 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(C)cc1 101387924 ZYDRBWYQYPCOLA-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 101390839 MUEZYDFXPJQMTC-HHHXNRCGSA-N 528.992 7.011 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)sc2c1 101392024 NFNCCYQZMATNCQ-JOCHJYFZSA-N 541.843 7.607 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCCC(C)C 101393380 WEYYTDKVCHJLRI-LJAQVGFWSA-N 617.496 7.375 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCCC(C)C 101393396 HQHJGPJLHYPXSU-LJAQVGFWSA-N 556.590 6.751 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 101394435 BUVHXGAQFRYMQO-IBGZPJMESA-N 580.251 8.091 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399931 GNDJHLMIUHYFEX-ZWXJPIIXSA-N 594.595 5.767 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614761 LXPUSVQNIHGLOH-IURWMYGYSA-N 527.824 5.792 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)ccc1O 102857818 PWYNHOARIIFRAY-MOSHPQCFSA-N 501.995 6.803 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 102934444 OGZZHNCJUCMROM-KGENOOAVSA-N 528.362 6.635 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1 103589371 JCGLPCDWHRQOIB-ZNIBUOHYSA-N 539.701 6.382 50 10 KKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 103649665 JKVNLKREIUTQNT-STZFKDTASA-N 528.505 7.936 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103730691 UGDKWNQSEGSELV-UEYIPHHSSA-N 555.441 5.514 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 103796510 XKHRWWMEHSZUPK-JEPNHJGPSA-N 608.492 7.256 50 10 KKGE CCCCOC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@H]1CP(c1ccccc1)c1ccccc1 113689657 AMZTWVMARTWHPA-YDYNHKSESA-N 553.623 6.632 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 205664336 OORJBSNUKPMHHJ-YTAXLFSRSA-N 548.570 6.250 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 205667851 VGQUOOLYKCSDQD-WSRWFZTPSA-N 574.633 6.428 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214345632 IWUYIYPONRHMSR-SJIPCVTESA-N 631.758 5.549 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 234805299 FNQSGIDCWDGYEF-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE O=C(NN=Cc1ccc(O)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 252620629 MIFMPZUNRRYSMZ-UHFFFAOYSA-N 558.634 6.893 50 10 KKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(O)(c1ccccc1)c1ccccc1 254295478 AKWMFWOYMMGBPX-UHFFFAOYSA-N 535.478 5.792 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 254555032 QWYICJZTWFMRDQ-UHFFFAOYSA-N 517.611 5.271 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2c(O)ccc3ccccc23)n1-c1ccccc1 254703679 IXUQZNYJJSRDKV-FQEVSTJZSA-N 571.106 6.331 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254710091 HLAMYPODVHXWJG-RAAWWHSXSA-N 515.532 5.333 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019857 IRVGACADJNKHAF-PXRWZLGFSA-N 883.930 8.869 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1c(F)cccc1Cl 256028327 FSSVQAVHHWQYBK-UHFFFAOYSA-N 621.941 6.590 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 312355292 NLKZMYBRFONSLT-CQSZACIVSA-N 572.860 6.235 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 405077143 KEOULDBCARWMBH-JTQLQIEISA-N 545.256 8.043 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)cc1F 721618183 ZRTRKDNQIKPDCJ-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE CC1=CC(=NNC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 1081818027 NJXPVAVICLRJJI-OKKSKUPUSA-N 545.765 5.847 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083887236 JOARHOWCGQGUKP-UHFFFAOYSA-N 715.226 6.747 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)o2)cc1 1083932423 XNFLRGYEGMMNLO-UHFFFAOYSA-N 573.671 5.470 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1083964290 FDSVCQSLDRMSCV-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl 1084189962 RPEGUFPYSKCCSO-UHFFFAOYSA-N 584.503 8.111 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084223571 PCFPGZYNMQPDIT-UHFFFAOYSA-N 547.391 5.401 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1084356908 VYVKMZDEWDKIOF-UHFFFAOYSA-N 693.506 7.135 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(I)cc2)cc1 1084433416 CWOQHXRMFCELLW-UHFFFAOYSA-N 611.483 7.400 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2)cc1 1084439985 YURPSTNXNKNKLY-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE ClP1(Cl)(Cl)n2c3ccc2[C@@H](c2ccccc2)[C@H]2C=C[C@@H](N2)[C@@H](c2ccccc2)c2ccc(n21)[C@@H](c1ccccc1)[C@H]1C=C[C@@H](N1)[C@@H]3c1ccccc1 1307259473 YEYOZUHMZWTTAC-NENNUHLFSA-N 760.149 10.879 50 10 KKGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@]2(C)CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O)OO 1615257442 JZASRXZWIPRQHB-PRBNWAQESA-N 680.876 5.263 50 10 KKGE C/C(=N/N(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1615949328 LUAPQNZHQGMTLO-BJUCDSOZSA-N 554.447 7.013 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745370 XNLZDUFVEUNNPT-UHFFFAOYSA-N 534.366 5.294 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 1865683449 DWWQTRAPGMBDPE-MRXNPFEDSA-N 509.713 5.584 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690580 VRMPCHMRCIKLOT-PMERELPUSA-N 540.623 6.654 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865691516 UQWDOVQEMJDHSH-DEOSSOPVSA-N 566.500 6.168 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OC(C)C 1865696595 IGGPFUYBAFPMMD-VWLOTQADSA-N 512.997 6.207 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698542 WUSOHWXFQKXMCP-NRFANRHFSA-N 543.849 5.865 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865702104 MTTXPLARINLAEH-HHHXNRCGSA-N 540.067 6.325 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702776 FCBOYCKTKKDXIX-AREMUKBSSA-N 541.449 6.303 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702942 IVMHKTSHDYKGHU-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866847585 OVZBFAAMEZIPSD-HXUWFJFHSA-N 512.433 5.054 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986663 OFXRGOWQFJWUDZ-VSGBNLITSA-N 545.661 5.299 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868342114 KUOZKRVQGCVXCY-HSZRJFAPSA-N 513.711 6.899 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccccc3OCc3ccc(Br)cc3)nc2c1 1872728686 NYZYPKPOKJTFCL-XDHOZWIPSA-N 516.351 5.528 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(OCC)c1 1872755359 JRGUGLOUOPDLIX-FLFQWRMESA-N 517.607 5.952 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C)c(C)c5)cs4)cc3C2=O)cc1 1872756657 UQTVJDDWTZVHRO-RFBIWTDZSA-N 521.598 6.182 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893240940 AXCMJRWWRQILCD-ZDUSSCGKSA-N 523.050 5.839 50 10 KKGE Clc1cc(I)c([C@H](Br)c2scc(Br)c2Br)s1 1900923723 DXALQWDOQGBDHU-ZETCQYMHSA-N 577.326 7.077 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CBr)cc1Br 1914341473 LBBUQENOOCBCMC-ZDUSSCGKSA-N 540.115 5.494 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(I)c(Cl)c1 1924041892 XJSNUDHUSRRWJY-RTHLEPHNSA-N 515.414 6.342 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(I)c1 1925586617 BDGYWKFHCLFLLL-QMMMGPOBSA-N 500.385 6.889 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1csc(Br)c1Br 1945190402 MNBRQLXCVMJOGP-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE C[C@@H](N=C=O)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951441018 HZDZIYWPHOXQQZ-SSDOTTSWSA-N 639.997 5.244 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3OCCC[C@@H]32)c1Br 2007592946 MANNIOQGIYATDI-ZODPUTJMSA-N 509.883 5.897 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2086020068 PBRLNVMKCWEELT-AWEZNQCLSA-N 500.037 6.470 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)s1 2086140065 XNWMURPDHHBBAV-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE ClCc1nc2cc(Br)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2103622176 MYZXOHTVFUNHTK-UHFFFAOYSA-N 545.308 6.662 50 10 KKGE COCC1(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469244 TZEZJDMQDGZGCE-SECBINFHSA-N 540.315 6.833 50 10 KKGE Cc1coc(C)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469562 BEDVRXSZJKQYHF-CYBMUJFWSA-N 536.283 7.275 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)Cc1ccccc1I 2145961167 LSKZJSPEYARSQY-CQSZACIVSA-N 510.007 6.049 50 10 KKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1cc(Br)ccc1I 2146720002 QMCPOWOZIDJPHO-YGRLFVJLSA-N 515.027 5.127 50 10 KKGE Brc1cccc(Br)c1[C@H](Br)c1csc2c(Br)cccc12 2150492741 DHCZZHMMTRAZMD-CQSZACIVSA-N 539.912 7.673 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c1Br 2203685669 MXIAJFHMDADYAX-GFCCVEGCSA-N 501.871 7.506 50 10 KKGE Clc1cccc(Cl)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399454 HRMKKUNKSQQEJN-CYBMUJFWSA-N 631.609 8.528 50 10 KKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206400063 OZSHVPZDXAZLHQ-JOAULVNJSA-N 598.793 7.378 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 2206586050 HJJNERASPHQULU-CQSZACIVSA-N 530.425 6.461 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)ccc1I 2225615390 GYCHSPUICWEMID-CQSZACIVSA-N 518.389 6.592 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2225634405 OQXRDMMYDULJPV-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2csc(Br)c2Br)c(F)c1Br 2227803491 BMUQIZCJBTXHIX-ZETCQYMHSA-N 543.822 6.937 50 10 KKGE Cc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1I 2232833302 MIXKTKIEFMDSHL-MRXNPFEDSA-N 507.991 5.781 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sccc2I)c(C)c1F 2253514897 XJWRKOMQEJHHAH-NSHDSACASA-N 504.000 6.355 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2279137126 LMEUQFGJRPLSEM-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE COc1c(Br)cc([C@H](Br)c2cscc2OCc2ccccc2)c(OC)c1C 2295430174 IZAJFMRUWHKOTA-IBGZPJMESA-N 512.263 6.900 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2296506973 NSTROAFVLGCRHE-QHCPKHFHSA-N 542.875 7.020 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2297327663 JVTRVFPILNUSDJ-HHHXNRCGSA-N 614.554 7.887 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1c(Br)cccc1Br 2303545440 RGVHPPJCODXOJS-AWEZNQCLSA-N 520.059 5.312 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312747838 NCKUKYKAVKQTTF-VOQBNFLRSA-N 523.910 6.287 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 2313511414 PNZXAKYNECWDFW-UHFFFAOYSA-N 588.445 7.140 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 2313518231 XHVQWVGMEBTWMK-UHFFFAOYSA-N 502.352 5.417 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 2313557276 YYZTUNMOISGKMR-UHFFFAOYSA-N 508.380 6.459 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2ccccc2c1 2313568811 XLBBCDJTDUZPGV-UHFFFAOYSA-N 527.418 7.044 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl 2313570925 JIVGKEAMQZMZHE-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 2314476010 HGJKUBJSEBHACY-DQEYMECFSA-N 609.752 6.150 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314482718 SZEWYRCUORRRCD-LJAQVGFWSA-N 571.706 6.627 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314611290 SHZGEGAHJLVWQL-QFIPXVFZSA-N 577.084 7.162 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314620542 QFUNMAMCVXJVLI-UHFFFAOYSA-N 645.546 8.218 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314640771 WYPWVRRBNQIUQD-LJAQVGFWSA-N 515.009 6.746 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643472 ZVWIKMHTXPCQIH-YTTGMZPUSA-N 633.915 8.071 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 2314770516 FSYFDJKEOHEPEB-IBGZPJMESA-N 522.985 5.545 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331348600 KHFRCSLSIQBJGM-UHFFFAOYSA-N 506.518 6.181 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 2331376587 VZOGOJIBYBJFKT-ICSRJNTNSA-N 503.624 6.010 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331411069 KHADJFNGYTVAQY-FPTDNZKUSA-N 507.999 5.976 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336042567 AJVOZPJULBFHFQ-FQEVSTJZSA-N 519.035 7.911 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336072958 QUMHTEYEKOXQRS-OAQYLSRUSA-N 515.072 8.081 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2358469090 LACBGACAYHVMOA-CCBCZWRWSA-N 596.777 6.988 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362231773 HCPLPAJVOSAXQY-SECBINFHSA-N 509.826 6.184 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2364225720 BAEOPKIPWZUCGQ-RXMQYKEDSA-N 561.841 6.272 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 3143213 VPYNDUMAPCNCBN-UYKANAEJSA-N 568.244 5.358 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39858777 SSJZACFXMZRFHM-UYRXBGFRSA-N 518.495 5.977 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 39858844 ZJIWQSOZFDWHMZ-QINSGFPZSA-N 507.333 5.348 50 10 KKGE CCOc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58989131 PKBIUAFQYKRSHM-JBASAIQMSA-N 513.667 5.474 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1c(O)ccc2ccccc12 59165210 CDHZVINRQNYKKX-JRXWSOMVSA-N 508.641 7.055 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100182112 PIDVFBVJXOOPHA-UHFFFAOYSA-N 607.752 5.004 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C1 101066118 JETCQFGXKIKFGE-YMLINEMLSA-N 548.672 5.900 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101333034 JGYMRJLOFLKHIM-TWKHWXDSSA-N 556.666 6.819 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101337631 KNYKIELQQHPQHV-QIVTUHOFSA-N 570.693 7.236 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367517 JLRYBQNHZKNUPS-XIFFEERXSA-N 562.622 6.039 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380474 CZNOOGUIDIXUEZ-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385456 LYIFMJCBWSVXPI-GRMGDBHTSA-N 590.676 6.736 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101389520 RYSZUOFAQGGCKL-MQFAKOPTSA-N 598.602 6.534 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101392744 MSUOEIRRFKABPN-XMMPIXPASA-N 541.387 5.847 50 10 KKGE N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102620520 BTEBRBFAOUVHRW-XNTDXEJSSA-N 516.862 8.148 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 103371425 BETBGUXZXUXUBU-ZDLGFXPLSA-N 565.258 7.039 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1I 103731452 ABFWSVJOGJMOSE-XODNFHPESA-N 575.859 5.779 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 105098308 YKLHQKIHCDXWBT-DORSJAEJSA-N 530.249 7.119 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430116 BOQPZBHHAUPWFJ-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 150484169 JUZUELJDKISLHT-HSMHNTNPSA-N 670.285 5.447 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 198122153 DIMYHZDULFSWLS-STCUFHLNSA-N 641.142 11.150 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214227248 XQTREPKIUCCMIB-COEJQBHMSA-N 542.639 6.511 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C1=O 214353440 ZNFPVMGQEXNDPE-JLPGSUDCSA-N 510.569 5.636 50 10 KKGE C[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 216490440 GQLQUIVTHHMMCX-IXWBRTFTSA-N 508.710 5.522 50 10 KKGE N#C/C(=C/NC1CCCCCCCCCCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494471 CWYDQJOPKYEZRU-IKPAITLHSA-N 512.742 6.591 50 10 KKGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1 254569989 ZWNLYGIXBHTPBS-UHFFFAOYSA-N 527.694 6.181 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254721274 FTMQEUOMCXXTMX-UHFFFAOYSA-N 524.617 6.329 50 10 KKGE CCN1C(=O)C(=NNC(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n23)c2ccccc21 254842328 DJQXJHVILGQFDZ-UHFFFAOYSA-N 538.611 5.505 50 10 KKGE Cc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Br 312361416 OHOFWLUBOJIYQB-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE CCOC(C)(C)O/N=C1\[C@H](C)C[C@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@@H]1C 504483714 SFTHBPKNOPSKEE-QNBNGXFNSA-N 993.479 7.734 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 504672031 RWIUJRXXJFJUFX-SFQGMUHNSA-N 701.893 5.876 50 10 KKGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 504746425 NMNGXZIYPJHWNQ-JYXHUUJUSA-N 793.786 6.704 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3ccc(I)cc3)c1)OCCC2 688378253 ITQKGWOFAYFZQQ-HNNXBMFYSA-N 507.991 5.863 50 10 KKGE CCOc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1Cl 705463012 IWNMCBRGRFHSAU-NSHDSACASA-N 523.899 7.463 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 725411639 BIGBVBRIFGBTTQ-UHFFFAOYSA-N 535.069 5.478 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 1083973804 IFDQSQHDWMNHEU-LJAQVGFWSA-N 557.488 6.874 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084023248 MMGLVUYVCRVMFI-LPYMAVHISA-N 532.394 6.519 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084115092 KKAADNLCCQPLBC-CIAFOILYSA-N 575.419 5.692 50 10 KKGE CCc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2cc(Br)c(O)c(Br)c2)c1C 1084202945 SGZVVCJDUPYRQJ-UHFFFAOYSA-N 533.264 5.959 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1 1084467398 VQTDOKLVCVXOPH-XMMPIXPASA-N 622.887 5.895 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084505236 AGGFTCYRXMKHGK-RQZCQDPDSA-N 532.221 6.889 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(I)cc1 1084572843 IEPUREZNQKKTCT-NDEPHWFRSA-N 642.534 6.360 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl 1084574453 DWHHESAONKCXEY-UHFFFAOYSA-N 638.130 8.179 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613989251 VVOJMQVGASSUEG-IQIBAHNESA-N 568.449 5.966 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3Br)CCC4)c2n1 1772745616 DATOPIRWWOEFBR-UHFFFAOYSA-N 532.394 5.897 50 10 KKGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747693 FSHHMCWOKIZDGK-UHFFFAOYSA-N 511.647 5.611 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748157 NVHADZJDWNYNNL-UHFFFAOYSA-N 507.373 6.738 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1cc(Br)cc([N+](=O)[O-])c1O 1772752934 FAFGIUPBWJUUMH-UHFFFAOYSA-N 549.175 5.022 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694460 YIUSNVNCQNOXEJ-MHZLTWQESA-N 511.025 6.584 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865695935 JDZLHSPYISOCJW-NDEPHWFRSA-N 514.670 6.297 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865697220 XTNCGVZSHZHIPB-HSZRJFAPSA-N 561.004 6.789 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705485 WWGKQPPLBQILRE-MHZLTWQESA-N 506.606 5.921 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706368 UZDGJJMVQLARPT-HSZRJFAPSA-N 566.376 6.179 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707045 MLGCUKRGLMBVDZ-LJAQVGFWSA-N 557.695 5.056 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707209 QQCOAYSSPGUSSH-QFIPXVFZSA-N 535.387 5.787 50 10 KKGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711905 LCJALCJMXFJBCX-NDEPHWFRSA-N 506.606 5.749 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712488 ZZHIBNXOMDEETL-RUZDIDTESA-N 544.995 5.445 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)nc(-c3ccccc3)n2)cc1 1868365321 OCRULSFSUAZYMF-VWLOTQADSA-N 504.619 5.406 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755752 DQUIWMUGANKNBQ-HFNQMJAOSA-N 513.663 6.920 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872755769 FEKQZRAEZZGBQI-UZYVYHOESA-N 502.552 5.413 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1C 1872756154 FDCHKAKJMMWDFO-DAFNUICNSA-N 511.990 6.831 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 1873921091 UUZYCJHSEAKKTK-XFAQLUQMSA-N 521.598 5.827 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595136 VAPAVHRNBNTOII-VDTYLAMSSA-N 545.938 5.439 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)o1 1924616389 ODWJKRFZOUEZOO-ZCFIWIBFSA-N 547.810 7.132 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2CC2)c1Br 1995047522 HZARDFHGLMOLSP-LURJTMIESA-N 540.713 6.973 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2030223775 VLOUTWMSDUASIA-ZDUSSCGKSA-N 517.906 7.082 50 10 KKGE Cc1nn(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2138848241 FNTIPXCCPOEGKF-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE CC1(C)CO[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469769 WVHJQOKXCBUVSZ-PRHODGIISA-N 584.766 6.988 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627293 JHIMLQOIBBCJPC-CQSZACIVSA-N 525.860 6.393 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3cccc(I)c3)cc(Br)c2O1 2146630329 WDOPBPALSNURKD-BJOHPYRUSA-N 507.991 5.861 50 10 KKGE CC1(C)COc2c([C@@H](Br)c3cscc3OCc3ccccc3)cc(Br)cc21 2156307234 VMRPUFNMEIWSNV-HXUWFJFHSA-N 508.275 7.244 50 10 KKGE CN(Cc1ccc(Br)s1)S(=O)(=O)c1cc(CBr)sc1Br 2179791185 NWDJYZLVGMPHKU-UHFFFAOYSA-N 524.119 5.050 50 10 KKGE Cc1cc(Cl)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399408 HAHWSSFISSAKQM-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE Fc1cc(F)c([C@H](Br)c2csc(Br)c2Br)c(F)c1Br 2227803486 BMUQIZCJBTXHIX-SSDOTTSWSA-N 543.822 6.937 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CC1(Br)Br 2233038939 IUNJRVFTBXWXSM-RNFRBKRXSA-N 536.408 5.586 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(Br)ccc2Cl)C1 2245930664 KTWMGDIUWNXGEN-UONOGXRCSA-N 516.601 5.042 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2248216639 VCSWFXWMMZWDKJ-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Cl)c(Br)c1Cl 2283559860 HQDGYYCRRZEUOG-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483079 YTKWWGSHQGKKMG-UHFFFAOYSA-N 567.985 5.209 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1Cl 2295841125 AKPGMVCBGRJSKP-UHFFFAOYSA-N 581.032 5.101 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2297458629 NBLAPFZYMGEWCK-XMMPIXPASA-N 532.463 5.234 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521392 KVFREOJTGVRPTR-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313570657 CERWTVGRFFVTCH-UHFFFAOYSA-N 528.186 5.252 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)c1 2314476564 QQOSADAKANRMGS-UHFFFAOYSA-N 506.606 6.663 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591977 IVXYSDYBRDJTJU-RUZDIDTESA-N 552.483 6.629 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314618181 IRBNCDYDTJNULL-IBGZPJMESA-N 516.557 5.248 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 2314640767 WQVQSISCYBLUJV-UUWRZZSWSA-N 574.652 7.539 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643127 DBLPZEJMTAQSCG-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643243 KYIVPVQMLHQRKU-MGBGTMOVSA-N 579.052 7.155 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2314643321 QEPXBAVEMVMVRV-XIFFEERXSA-N 595.051 6.773 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331450894 PDERTTIXCIVMSS-UHFFFAOYSA-N 513.471 8.220 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 2331480260 BMBMHYDTTZGDND-UHFFFAOYSA-N 517.478 8.157 50 10 KKGE CC1(C)COC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336201711 WLRDSUTWMCBPNQ-QUBYGPBYSA-N 584.766 6.845 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 34896472 QHDXEQMIJOEQPL-GPSDDGMOSA-N 508.430 6.367 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 38606636 JPZDUCZVQWMNAN-OVVQPSECSA-N 524.621 5.345 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc2ccccc12 38657960 ZMZXQZUCXPJZNJ-JGCGQSQUSA-N 508.577 6.795 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678756 IDCAUDYAHJBKEE-LFVRLGFBSA-N 509.331 5.179 50 10 KKGE ClCCCCCOc1c(I)cc(I)cc1I 59213199 SSBCWJZMQDSZKY-UHFFFAOYSA-N 576.381 5.288 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1 96921134 VSSMMWAITSILRC-PDGQHHTCSA-N 500.407 5.957 50 10 KKGE CCCCCCCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100170014 IVFKDPPWXIRQAH-UHFFFAOYSA-N 500.231 5.252 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100185675 OTPKEOSKFZCMIF-UHFFFAOYSA-N 578.301 6.164 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C1 101014198 FEWNGVNCCGVVKT-LQRLVPPJSA-N 586.739 5.544 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101334119 ZBZAAKJCVNDKTD-RTJYLNGCSA-N 583.714 5.105 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101334406 PUJOCYARPAKKIT-BOOTZKDASA-N 508.622 6.026 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339691 XVNJGRLCPOMXHU-RDRPBHBLSA-N 586.648 6.239 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1Cl 101365019 JLGLGNQHPUDOFB-QFIPXVFZSA-N 550.225 7.136 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101387739 BBBHOCCBBYUQII-WJOKGBTCSA-N 577.593 6.318 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c1 101387919 YNFRHMCCGJFVDE-DHUJRADRSA-N 604.703 7.589 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396333 XKWMMXDMPVSMKY-SANMLTNESA-N 579.505 8.070 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101397276 VHOOFEMPBCZFEW-VWLOTQADSA-N 613.950 8.868 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610208 TYPQEAFRQINLON-IWBSIUBASA-N 555.034 5.305 50 10 KKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c(C)c1 103726402 KSBGXFLIHKVGRI-IPPBACCNSA-N 553.400 5.196 50 10 KKGE COc1ccc(NC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 103795703 JBFNUNMWZLDWOY-KCSSXMTESA-N 555.704 6.759 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430630 QEHGQUKNVGWOSU-MGBGTMOVSA-N 635.116 8.427 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462831 STJAGAPPXCOIFL-MUUNZHRXSA-N 681.956 9.026 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 150497380 DQXHASNEVMUDRG-FDAWAROLSA-N 685.564 6.597 50 10 KKGE CCCOc1c(OC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO[Si](C)(C)C(C)(C)C 199515500 BNBFMYPWFLLWPZ-DNQXCXABSA-N 624.869 6.898 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214326189 OCQAUOQRZADHNS-UIYSYRJOSA-N 570.649 5.890 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C2=O)cc1OC 214370011 KBJWFHFXJULFQG-GTWSWNCMSA-N 630.745 6.735 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 227845729 VCQZUDYPAAGLBJ-JTQLQIEISA-N 513.398 7.430 50 10 KKGE COc1cc(C=NNC(=O)c2ccncc2)cc(Cl)c1OCCOc1ccc(C(C)(C)c2ccccc2)cc1 252620340 MCCRAJXVOCZJFM-UHFFFAOYSA-N 544.051 6.291 50 10 KKGE CCOC(=O)c1nn(-c2ccccc2[N+](=O)[O-])/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(=O)OCC)nn2-c2ccccc2[N+](=O)[O-])s1 253568437 LFKBPLFTKFTZJT-SGRXOXICSA-N 802.898 7.615 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3C[C@H](c4ccccc4)Oc4ccccc43)cc2)cc1 254566285 IRTFTTNSYPAMPP-GDLZYMKVSA-N 541.629 5.544 50 10 KKGE CC1=CC[C@H](/C(C)=C/c2csc(C)n2)C(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCC1 255974466 GNAPAUDDSROWCR-HBDXHHCKSA-N 732.233 11.168 50 10 KKGE CN(C)[C@@H](c1ccccc1)[C@H]1CCC[C@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 605693784 CRDKMPRXRRQNBW-NXCFDTQHSA-N 659.495 9.666 50 10 KKGE in-vitro COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721589394 TVSFTQWGKIDHSF-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721595742 YATCUXBDSMOEHY-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237668 LNEYJHBOAIOTPD-AREMUKBSSA-N 559.009 7.189 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 725403788 PRZOYWQSPYXMPB-XMMPIXPASA-N 531.436 5.944 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1 1083955245 WSHYBEWTGYXASF-UHFFFAOYSA-N 698.105 6.634 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 1083988389 PHGSXJLBSVGENP-LJAQVGFWSA-N 605.529 6.943 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)c1nc2ccccc2s1 1084169210 IELCUUOKEMGYIQ-CIAFOILYSA-N 507.615 7.996 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 1084229752 KBCHKVQRVWHVPB-UHFFFAOYSA-N 619.765 9.076 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C 1084384514 YYVSHSQLPZZKIU-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1084497412 SBDRBFXYEWVSCC-UHFFFAOYSA-N 607.574 5.549 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084507533 UFOZHYGJVDZWKG-UHFFFAOYSA-N 546.190 6.440 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)c1 1084562619 MJBJEFCQXGKRGD-UHFFFAOYSA-N 514.651 5.133 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1 1084623881 LNXBXKDDUCBQEI-UHFFFAOYSA-N 542.227 6.609 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Cl)C(C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538164 YHFMMZUOMCRTSB-PCIDPTNPSA-N 521.295 10.208 50 10 KKGE CCN1C(=O)C(=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21 1772720526 OEJRCJUBUZTSGM-UHFFFAOYSA-N 529.394 5.174 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690201 LEQRSCBGLVYKCZ-YTTGMZPUSA-N 546.630 7.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865690999 GXFXEZONQJJVDP-VWLOTQADSA-N 554.613 6.753 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702928 INWCTSXYGBHPAV-MGBGTMOVSA-N 570.693 7.482 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708861 HTWJQFKSCGHUFP-NDEPHWFRSA-N 543.668 5.079 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(OC)c1O 1865715113 WMCMTLWVXKDMDN-QHCPKHFHSA-N 514.969 5.193 50 10 KKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc(Br)c1O 1865762708 YMKKAWTWGGEHEX-MRUKODCESA-N 509.187 5.604 50 10 KKGE CCC[C@@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866852130 DEYSDQYSBKOLAM-OAQYLSRUSA-N 528.465 5.778 50 10 KKGE CCC[C@@H](NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207548 JJSXRUKXTIFENY-RBBKRZOGSA-N 532.504 6.084 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@@H]3c3ccccc3)OCO5)nc(-c3cccnc3)n2)cc1 1868564512 CBZQEXWQZMVAIM-HKBQPEDESA-N 556.651 6.736 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2ccccc2s1 1923067609 GALLHJNGGSXXQK-SNVBAGLBSA-N 501.490 7.626 50 10 KKGE C[C@@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924586184 VDIUXKZZNNTDFI-OIBJUYFYSA-N 517.906 7.275 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596738 SJDOLKNWBQQGQH-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1C2CC3CC(C2)CC1C3 1924600494 QRRRZGDAXXBYHC-JEQSCSHPSA-N 503.525 7.388 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cscc1OCc1ccccc1 1939527245 LLZOTONRTMMHJL-ZDUSSCGKSA-N 513.103 7.942 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)ccc1I 1950207646 JBDXLNYBZICOPB-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Cc1csc([C@H](Br)c2cc(Br)ccc2Br)c1Br 1950887445 DXGNQBOJARQHPW-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)COCCO1 2021896062 KTCKBYSZDHRDLH-XVKPBYJWSA-N 513.871 5.277 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2047661327 BHFIPWSZSYMLON-POYBYMJQSA-N 523.910 6.431 50 10 KKGE CC(C)(C)[S@](=O)N[C@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1 2080770886 NPFQPRKFPNKJDT-JJQXXVEZSA-N 521.666 6.739 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(I)sn2)c(F)c1Cl 2081849134 UURUQVGNSPUZOV-MRVPVSSYSA-N 529.369 5.926 50 10 KKGE CCC(C)(C)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493072 WXAFGQKYYMTHCQ-VIFPVBQESA-N 526.332 7.843 50 10 KKGE FC(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496588 XCTHAKXOVCKPOR-TTWOZLTLSA-N 576.693 7.074 50 10 KKGE Cc1cc2sc([C@@H](Cl)c3c(Br)sc(Br)c3Br)cc2s1 2100322123 FVHFQCQJLZCZOD-SNVBAGLBSA-N 521.546 7.948 50 10 KKGE CC1(C)C[C@@H]1CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468589 LKUHJBQAKODYCM-OIBJUYFYSA-N 538.343 7.843 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172407584 HLTWSSSMDZAGRJ-KRWDZBQOSA-N 509.160 5.520 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400494 RIQWFYMIEJFAMT-LLVKDONJSA-N 676.060 8.637 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)c(C)c1Cl 2224317069 KJWHYHLWEMHKDA-AWEZNQCLSA-N 514.426 6.808 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Br)c1 2240809185 BZXDGHAOHQACFT-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Clc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2278100980 MBGRSDZNTPVDAC-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288348680 HTTJWFLVJSWHGH-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2293579825 ZWIXUOSJQZKZQR-UHFFFAOYSA-N 567.045 5.546 50 10 KKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1I 2295300965 GBPLUPBCQSVFJB-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Fc1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295336372 VQODDLZFWUJQLB-LLVKDONJSA-N 550.285 7.445 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccccc2)cc1OC 2296824100 CCZQCSRHXGHOGT-UHFFFAOYSA-N 578.492 5.582 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458637 OHXIRQRKXZMVKX-QHCPKHFHSA-N 563.433 5.731 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(Br)cc1 2297487657 KNDUBYLBPFNDIL-UHFFFAOYSA-N 502.384 6.717 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc2ccccc2c1 2313556814 LPBCKOKZDAGKMD-UHFFFAOYSA-N 580.482 6.937 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314488206 MHCHOOMMFNOMJJ-UHFFFAOYSA-N 540.522 8.413 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314610876 NPUBHXKVNMSVMJ-UHFFFAOYSA-N 639.583 8.598 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314616439 ALVXLTQTIYVYBV-UHFFFAOYSA-N 560.679 6.452 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314618223 JPTSCNOUMBUVSD-UHFFFAOYSA-N 512.585 5.394 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)oc12 2314646706 KGMDNFHSJBQIMU-AREMUKBSSA-N 630.682 5.211 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1 2331312329 IBHFXTYYJWUQAB-UHFFFAOYSA-N 501.611 7.578 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2331440039 TYMVEUQXINIQHG-UHFFFAOYSA-N 503.849 7.478 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)oc1Br 2337085517 ZESIYSCMCFPCDL-SECBINFHSA-N 540.246 7.152 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(I)sn2)c1Br 2339688606 JHWZXFXAQHNJJN-NSHDSACASA-N 537.442 5.918 50 10 KKGE Brc1cc(C[C@@H]2CCCCCCC[C@H]2Br)ccc1I 2349778851 PEDSBWRDONOPIR-UONOGXRCSA-N 500.056 6.720 50 10 KKGE Cn1nc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1Cl 2360423296 XIWNRWFDADHQRP-SSDOTTSWSA-N 530.244 6.529 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2365596077 QQANEYWYVACHPZ-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE Clc1ccc(I)cc1CC(CBr)(CBr)c1ccccc1 2380544691 JZYDFDAMJXZXOQ-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 6999923 KWHGGSNGLINKGV-KWLPWJRRSA-N 542.842 5.438 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)CC1 29491666 FEJUKJQUYSDHIE-ZTKZIYFRSA-N 572.712 5.298 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38650778 RZKCYAFKUGAHJF-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 38680864 OHDGDOAFVLYWOB-HHHXNRCGSA-N 518.953 5.116 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38685446 QLGUSJOMBMQXSY-WHLCRQNOSA-N 516.569 5.986 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)c1 40822179 GNHKVNQOBHPZJE-FDAWAROLSA-N 519.907 5.992 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(Cl)c5)c(C)c43)coc2c1C 40826728 TYGGIGSKYBKDAU-DFKUXCBWSA-N 503.986 6.256 50 10 KKGE CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C3\CCCC[C@H]3C)n2-c2ccccc2)cc1 43894065 ULZCYFSRIHRZKQ-LFNVVVDWSA-N 506.676 5.441 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1 58895363 ACAWGDDRASFJOH-GDKBXFSLSA-N 534.628 5.895 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100143162 LPDNTXDEPMKYOI-UHFFFAOYSA-N 609.340 5.258 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 100238566 PIFVFVQKUVEZTC-TZMKENEKSA-N 555.469 5.789 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cc2)cc1OC 100869903 RNXQADMMVANNMC-FZKWRIDDSA-N 610.464 6.665 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 101034033 RBKZUTSLQIFMDS-XSFVSMFZSA-N 543.877 8.143 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(Cl)cc3)nc12 101115447 MJCRFUPCCRUOJH-QINSGFPZSA-N 525.779 6.301 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246248 KXDZLOYASQZKTF-IEQIIXMPSA-N 518.038 6.112 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101336012 GKTIDULWIHNQHE-NJZRLIGZSA-N 572.665 6.137 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101337072 IVOQVVGZPZPGNY-NTUFCRHVSA-N 522.649 5.111 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341616 GBUQMBHJACPHQF-TURZUDJPSA-N 584.698 5.213 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1Cl 101370333 QILUSFNOOBEDOX-QFIPXVFZSA-N 560.231 6.592 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 101372378 SRRNNCAKRRFLFL-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101374491 RVSIVKBUPLXIJF-SSEXGKCCSA-N 573.602 5.765 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5Cl)ccc43)c2)cc1 101382035 AZFKXLSOKKWITL-ADMSKWKDSA-N 583.471 7.718 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101394881 SQVHFGNAUNMBJW-WJOKGBTCSA-N 566.654 7.455 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2c1 101398734 LGUNRPVVEZRFTP-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399939 FUNDEDIGFGKBOV-YTTGMZPUSA-N 590.607 7.295 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Cl)cc3Cl)CCC4)ccc21 101603263 VPIPSMWMQWSQFL-JWHWKPFMSA-N 573.480 7.745 50 10 KKGE Cc1cc(C)cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 101647194 OEUWSYVJUKTLMI-OLFWJLLRSA-N 526.818 5.165 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742814 KEBDJMOKMMCQAI-GPSDDGMOSA-N 536.426 5.962 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(C)cc1 103878877 BIXXPOZSJSMQBM-RQXXSLPSSA-N 569.705 7.841 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F 103881118 XNBBLOPABVFDBP-AMVVHIIESA-N 586.255 7.168 50 10 KKGE CC[C@H](C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@]2(Br)C1 118921099 MYLPOKATQGVMSF-NRQIWUIXSA-N 644.617 10.347 50 10 KKGE COC[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CC[C@@H](Br)C4=O)N(C(=O)OC(C)(C)C)C1 141074147 RNASTNSTOJLQQE-AJHZIAPWSA-N 628.516 5.136 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400877 IRVGACADJNKHAF-QFSJPRKCSA-N 883.930 8.869 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461530 CZQXTTKIICUQNH-HKBQPEDESA-N 671.931 8.182 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 150462922 WJACDBCMCPWUEQ-LLWLYNIOSA-N 650.732 5.774 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2cc(Br)ccc12 150483480 LDKQADDMFNRIPS-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2I)cc1 150574322 DNCMONIRVPVNSP-IUXPMGMMSA-N 699.670 6.891 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 195804012 PPFHNIVPOLWPCF-UQVNRYHBSA-N 541.071 6.075 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214239556 BLQRZZQGKDPJAS-SWKFRHMKSA-N 611.768 5.886 50 10 KKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Br)cc1F 230274949 YIDVYOCYTSZLDA-WTGRHJARSA-N 530.265 6.250 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1Cl 234971942 JYVIDBZHGKDRHN-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 252630245 UXTXBPOFVQRXAY-PXKMXXGWSA-N 518.820 5.094 50 10 KKGE CCCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)C4CCC4)cc3)c3ccccc3n2)cc1 252640454 YUERFPCIIWSDKO-UHFFFAOYSA-N 534.660 6.973 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCCC)c3ccccc32)c2ccccc21 254700608 UKCCRNJRYYCZRM-UHFFFAOYSA-N 586.737 5.052 50 10 KKGE Cc1cccc(C(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccc(Br)cc32)c1C 254819658 SBENGTBDQOPWPB-NGOKVRLYSA-N 537.502 5.405 50 10 KKGE O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1 254870446 WUDAHPBLWKMPNB-UHFFFAOYSA-N 581.451 6.063 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2Br)[C@@H](CI)C1 382696500 SEHOHFWLFPYQAB-YOEHRIQHSA-N 579.070 5.999 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1sccc1I 386290789 GWUGVGVUMFNUHM-LLVKDONJSA-N 505.972 5.747 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(I)cc2)c(Cl)c(Cl)c1Cl 404877922 QDYQJDISLACAEI-JTQLQIEISA-N 510.811 7.389 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575346784 NOATULMQVVEPQO-SLUOAJQDSA-N 904.120 8.120 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OCCCCCN(Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1 575449014 FCOQGJJPERRCOF-VBLURBSVSA-N 843.110 8.939 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)sc3Br)c2O1 720054276 UNWTYBXXWFXWAK-SREIQFSDSA-N 545.916 6.843 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1083918205 YQLXYRLUPUPUGC-UHFFFAOYSA-N 505.531 5.686 50 10 KKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Cl)cc1Cl 1083974532 HMJQRYUNGRBMAR-UHFFFAOYSA-N 515.238 6.831 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc2ccccc12 1084020197 KGVBZNQZCZUFGX-GOSISDBHSA-N 505.047 5.514 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084080068 FRRXGGRAJLVHGK-AREMUKBSSA-N 616.496 5.940 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1 1084149193 BSBWFRDEUBKHCP-UHFFFAOYSA-N 579.122 5.800 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 1084337910 HVXHAHVJBMCNDQ-QFIPXVFZSA-N 578.834 5.496 50 10 KKGE O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCOP(=O)(OC(CCl)CCl)OC(CCl)CCl 1615950443 FSRZAWDQXMGTJZ-UHFFFAOYSA-N 630.887 6.747 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCN(c6ccccc6F)CC5)c(C)c43)coc2c1 1772752170 WSRWXNPTPYMOJL-UHFFFAOYSA-N 556.638 5.452 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OCC 1865687283 NOCQSZBBRXVVSY-LJAQVGFWSA-N 568.649 6.542 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865690770 AQXAUPDJYPOOJN-RUZDIDTESA-N 565.512 6.442 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865695235 AGFQUFANUMIFJO-SANMLTNESA-N 500.643 6.392 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865695341 BSGMHRHYJMXLGZ-VWLOTQADSA-N 525.024 6.082 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701260 QORMIDMFKJRMIZ-GOSISDBHSA-N 564.665 5.927 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703749 DTSANNXKEXMKLS-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865710981 MYXSEFVSMZNALN-MHZLTWQESA-N 522.605 5.459 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715178 YPJFXIOMDLKLKU-AREMUKBSSA-N 531.528 5.533 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)Nc2ccccc2)c1C 1866132882 HNRQOVPQBVTHGF-QGOAFFKASA-N 519.579 5.048 50 10 KKGE CSCC[C@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867198637 WJENVEYPKMHRKB-FQEVSTJZSA-N 559.511 5.405 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433354 JIYSGAIESOFFFW-RUZDIDTESA-N 557.054 6.199 50 10 KKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1c(Cl)cccc1Cl 1872729080 MMXZVECEMOWRGQ-MHWRWJLKSA-N 513.333 6.325 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751541 MOTQUWZBRQTAOZ-AGODIQTPSA-N 513.525 5.788 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OCC)c3)n2)c(OCC)c1 1872793478 BYLLMWYLQAAVFY-CXUHLZMHSA-N 515.429 6.538 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)c(OC)c3)n2)cc1OCCC 1872818217 SJXHQLNPCKPPMC-HXYGAVEPSA-N 520.651 7.301 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3COCC[C@H]32)c1Br 1908304282 FQIXKTITJFEHGY-BYPJNBLXSA-N 509.883 5.754 50 10 KKGE O=C(c1cc(Br)ccc1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915159204 MBAJJPQYUOKLGN-GOSISDBHSA-N 518.620 5.714 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2sccc2Br)c1Br 1922934924 KVNGWAYOKGFGJA-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923055761 YMRQBKVZDJVIAW-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923066029 KTLZPIALCLQCFW-VIFPVBQESA-N 509.872 7.026 50 10 KKGE COc1ccc(CC[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924599850 MKJQZLHXLMDUPB-SNVBAGLBSA-N 503.481 6.957 50 10 KKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925602297 ZYJLHCDCLLUAIV-SECBINFHSA-N 509.872 7.073 50 10 KKGE CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccnc2ccc(OC)cc12 1987964666 MSDLKHFBQOXJPJ-KGNYWXMYSA-N 613.742 6.593 50 10 KKGE COC(=O)C[C@@H]1CC[C@@H]2O[C@H]([C@H](C=CI)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1 2054663961 MIEJSEPCTMXSCI-RDKARTRESA-N 771.011 8.984 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063506813 BONSRSWCHJJSEC-IBCQBUCCSA-N 521.938 7.298 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(Br)cc1Br 2083331527 ABZAIFBWADJRGC-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Cl 2085494490 LYFUPCFVNBYMLV-RFSVNVOPSA-N 525.304 6.015 50 10 KKGE Cc1cscc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496781 SLMITTZOOHWYRO-LBPRGKRZSA-N 538.324 7.435 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2123245485 IMEQOKAODMLCTC-UHFFFAOYSA-N 531.516 5.303 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141475098 JACAWRXYZSQFBZ-CHWSQXEVSA-N 584.766 7.132 50 10 KKGE C[C@H]1Cc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146617049 VSXFLCLLTNCWPM-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE Clc1cc(Br)c(OCc2ccc(Cl)c(Br)c2)c(CBr)c1 2166827473 ILERBPNETUCEKZ-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613034 KWLJWGXBVRIACH-GXTWGEPZSA-N 515.027 5.222 50 10 KKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2185101797 BRGUHKDHXZCHIS-GXFFZTMASA-N 515.027 5.078 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1Cl 2201610491 HXIYVMIROMHDNB-LLVKDONJSA-N 512.346 6.967 50 10 KKGE Clc1ccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206401039 UYPSLUIKFKNFCV-SECBINFHSA-N 611.191 8.069 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206408040 GYMWFFCEZPVIEH-CQSZACIVSA-N 611.191 8.136 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)ccc1I 2229155766 WRLKWMRVQPIIRC-GFCCVEGCSA-N 579.295 7.148 50 10 KKGE CN(Cc1ccccc1)[C@@H](Cn1c(CCl)nc2cc(Br)c(Br)cc21)C1CC1 2234055430 BKNJHUSZHAYDSJ-FQEVSTJZSA-N 511.689 6.211 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 2235610716 SKTUESKLIRJVRZ-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(I)c1 2277964390 FEEXFJHSVRNHKD-CYBMUJFWSA-N 562.840 6.634 50 10 KKGE Brc1cc2sc([C@@H](Br)c3ccc(I)c(Br)c3)cc2s1 2278028225 QCLFAPWFEGEOPL-ZDUSSCGKSA-N 592.941 7.577 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1Br 2288481025 PVRISMODJGUZLA-LBPRGKRZSA-N 554.248 7.343 50 10 KKGE Fc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Br 2295343411 VRDPEINJPAUZNX-LBPRGKRZSA-N 505.834 7.289 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313555847 AMMYPDVBRVCPLQ-UHFFFAOYSA-N 629.352 7.691 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2c(c1)OCO2 2313568310 UHGKXVRPJNTTOL-UHFFFAOYSA-N 590.474 5.411 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2313630487 ASBXOSYWKATNDM-UHFFFAOYSA-N 501.753 6.420 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591765 DLNOPHDKHKJLSZ-RUZDIDTESA-N 536.484 7.182 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593407 MKVGGJFSGMEGJL-HSZRJFAPSA-N 559.997 6.311 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C(C)=C(C#N)C1=O 2314611571 XKYSGPPJMSPNPS-UHFFFAOYSA-N 538.717 7.214 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618204 JFFQWEAHJISMSA-DEOSSOPVSA-N 540.595 5.238 50 10 KKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2331445618 QYNFHOQWTAAGPV-UHFFFAOYSA-N 525.512 8.221 50 10 KKGE ClCc1ccc(Br)c(OCc2ccc(I)c(Br)c2)n1 2350076707 JVVUKZFJMZSDGS-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE C[C@@H]1CCCC[C@]12[C@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364267208 HIEOTFCZAASNSW-HMTTWLPMSA-N 514.039 6.165 50 10 KKGE COC(C)(C)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2369557422 IZIRQYDRFNXWJB-GFCCVEGCSA-N 554.342 7.222 50 10 KKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 28357129 BKKJQHMLLHKVLF-GXDHUFHOSA-N 502.220 8.204 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)oc2ccccc12 38700426 BSJDODZZNXIEMB-LJAQVGFWSA-N 514.537 6.971 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(F)cc3)nc12 39858703 VVXLAZIAAFGAFR-VBKFSLOCSA-N 508.431 5.499 50 10 KKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 40815461 LTYHCZZCXGGXSF-INKHBPHZSA-N 507.590 5.838 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 40948461 IYMGNYYNPZVOAW-PXLXIMEGSA-N 510.417 7.448 50 10 KKGE COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462989 SXZWWUDQRSPHDF-ZRGSRPPYSA-N 504.377 5.087 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 100228218 QFEZDKNALXYGDM-KPHTWCJLSA-N 608.476 6.386 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1 100228441 ABXVUQQRCMJJOT-DEDYPNTBSA-N 524.358 5.815 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 100232031 DHZFWVGLDBIQPE-XZJBEKIMSA-N 529.406 5.530 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367541 MHAOYKFLFYVCQS-GRMGDBHTSA-N 590.676 6.989 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101371761 CUHMYZDFVONPHD-AREMUKBSSA-N 525.388 5.985 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101373864 ODPKMHNEKCQDEL-LJAQVGFWSA-N 559.575 5.375 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101374334 PJJKTMJTDKNANW-HHHXNRCGSA-N 583.468 6.873 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385288 VGQUOOLYKCSDQD-DOABURPNSA-N 574.633 6.428 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101395950 VJZXIKAXLFQOOI-WJOKGBTCSA-N 601.099 8.190 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2cc1C 101397771 PBPNMQDCPNQJJL-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 101406027 UPFMOABEDYOACQ-VUMGZPTDSA-N 625.106 5.118 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611869 MYIQCRVOMAUFFT-ATZGPIRCSA-N 588.797 7.055 50 10 KKGE Cc1cccn2c(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)c(-c3ccccc3)nc12 102925700 OEEQTSYEHJOHCO-RJYQMNAMSA-N 565.699 5.705 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102943197 XIBPLWSKASJMOA-KEDLVIFGSA-N 575.613 6.852 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1 103797098 KKKXYBUPSDVXBV-ZSNJKBEMSA-N 612.499 7.706 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463041 ZZPZHOSWECJYDT-SSEXGKCCSA-N 677.993 9.195 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205648488 QNIJLPSCZQTKRT-JCNBUMAZSA-N 510.590 5.838 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 205666800 XHGNITZGCVJKPH-HEMWMBMWSA-N 518.544 6.242 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-] 214718683 TUUHVVPLIGLLEQ-CEUYOYMZSA-N 686.304 13.559 50 10 KKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217250280 PDECYZJROFIIQX-HJWRWDBZSA-N 501.736 6.854 50 10 KKGE C[C@@H](Br)c1ccccc1NC(=O)c1cc(I)ccc1Br 235061648 WYOWUOVOZFVKFG-SECBINFHSA-N 508.979 5.762 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)o2)cc(Br)c1O 252623456 ORWZDHCBPMBTKK-UHFFFAOYSA-N 518.414 5.422 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253575110 UFPNDDRHOPLRQN-TWEKSNNBSA-N 805.835 8.278 50 10 KKGE CCCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)c1 254507958 ULASCEGAKZOOHK-UHFFFAOYSA-N 582.701 5.564 50 10 KKGE CC(C)CCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 254573046 YPMRHHVIJIPWBS-UHFFFAOYSA-N 628.818 5.934 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 256028605 XPTWKHZECYOTNT-UHFFFAOYSA-N 529.474 6.333 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 311906615 BUWMFKHIFOCPFD-INIZCTEOSA-N 506.181 7.593 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 575625221 CBYATNWDDXHUQS-DEMXLNGLSA-N 781.541 9.191 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(I)c(Br)c2)c1Br 721589034 RGISZSYMRLPWAD-JTQLQIEISA-N 560.398 7.225 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(CCBr)c1ccccc1 721603421 LZWDWNWVPUDVAH-UHFFFAOYSA-N 508.979 5.095 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1OC13Oc4c(cccc4P(c4ccccc4C)c4ccccc4C)C[C@@H]1CCC[C@H]3C2 936069276 TZSIXTZWBQWSIB-IMUOSOIKSA-N 716.842 9.119 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084170570 BOACYCCTTSBRKA-UHFFFAOYSA-N 595.220 6.696 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1084175850 HRPOSAUMCFNAHV-UHFFFAOYSA-N 517.629 6.020 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 1084198700 JVINTGVJTGAMBA-UHFFFAOYSA-N 636.568 6.324 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(I)cc1 1084246599 KBECNQBBSCFBLU-LPYMAVHISA-N 717.345 6.621 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2)cc1 1084459128 PAAFHURSQNPFJX-UHFFFAOYSA-N 562.667 5.286 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084541837 QEWHZZRJTYURGA-QFIPXVFZSA-N 536.253 6.299 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865688027 GVYBTHDEVRKZMI-SSEXGKCCSA-N 555.638 6.439 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865689106 JXDGDLFNJMRMEB-AREMUKBSSA-N 510.569 5.753 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865690120 JDZHQGRSVADGIL-RUZDIDTESA-N 541.449 6.699 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865691190 LXAHQOSUWYYNRO-IBGZPJMESA-N 563.374 5.978 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692245 KMMYDPPSXDKLPG-NRFANRHFSA-N 515.397 5.376 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccccc1Cl 1865693902 RQQXLEOVKREJEG-SFHVURJKSA-N 504.896 5.560 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865696204 YHSHNROVKRVNTB-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703786 FTBIXXUWSBLZFE-GDLZYMKVSA-N 533.031 7.038 50 10 KKGE CCC[C@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867028272 WFVRJHQXYHSYQS-MHZLTWQESA-N 515.679 6.527 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)cc1 1868545119 RQGFFZJCNSHQMO-MHZLTWQESA-N 554.764 7.176 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 1872782274 ABWDHYTYWSAAIZ-WSDLNYQXSA-N 523.496 7.703 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 1872790363 CWIWCVKQKSPQKC-MKMNVTDBSA-N 510.240 7.351 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ncsc1Br 1923038058 HMDJCFHLGSPWJM-VKHMYHEASA-N 531.314 6.630 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(I)c1 1923054069 ADWFWORTRIBKLB-QMMMGPOBSA-N 544.836 6.998 50 10 KKGE FC1(F)CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583255 HXIHKRYSNYBZSP-UJURSFKZSA-N 517.853 6.907 50 10 KKGE CC(C)(C)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924584053 SLRDRPBLUQKVJJ-QMMMGPOBSA-N 511.943 7.544 50 10 KKGE CSc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924589582 CMMUZYMOZOPLIS-SECBINFHSA-N 535.946 7.242 50 10 KKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924592097 WPUWBAICSBCIPU-SECBINFHSA-N 538.324 7.482 50 10 KKGE CC(C)[C@@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780201 PSSRYBMQIJDWRC-LDWIPMOCSA-N 556.756 7.465 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1sc(Br)cc1Br 2026210881 DKWUHNUGOLZFOO-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1C 2039507604 UMPOHINHHZDUSI-SSDOTTSWSA-N 513.929 7.743 50 10 KKGE CCc1nc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)s1 2050330863 IFSOTCSSGDULOC-LURJTMIESA-N 559.368 7.145 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2050467703 OLWCJYHBLDMNMZ-QMMMGPOBSA-N 544.836 6.998 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(I)sn2)c1Br 2056487629 NCIQSPLCSNJMEU-ZETCQYMHSA-N 532.970 6.075 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2sc(Br)c(C)c2Br)n1 2060856390 RBKWDLAYGLPRQX-MRVPVSSYSA-N 521.898 6.045 50 10 KKGE COc1sc([C@@H](Br)c2ccc(I)c(C)c2)cc1Br 2086021169 WRGQDWJCFOPSPF-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1Br)c1ccccc1Br 2092262200 XPJABNDEGSAROX-NSHDSACASA-N 511.877 6.695 50 10 KKGE Cl[C@@H](c1cc2ncccc2s1)c1c(Br)sc(Br)c1Br 2108677893 IIGJQMKCQKDONI-JTQLQIEISA-N 502.478 6.974 50 10 KKGE C[C@@H]1CCO[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469277 UJEJMMDPDDAXMS-UASFKTIASA-N 540.315 6.832 50 10 KKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470452 HELMXVKTKVJFMK-ZEONFMBXSA-N 544.253 7.062 50 10 KKGE FC1(F)[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206393951 CYHQYIYWSXVYGH-MNOVXSKESA-N 558.280 7.452 50 10 KKGE C[C@@H]1O[C@@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206401277 IJLVWEIHANOZNU-HIZWJCBPSA-N 596.777 7.130 50 10 KKGE FC1(F)CCC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206401811 ZQRLBQHIKNPBJD-JTQLQIEISA-N 604.747 7.998 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(I)c(Br)c1 2218810232 LRMIYFNYOFEMTL-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2222047675 LISYYWOMJDFBFB-ZYHUDNBSSA-N 589.185 7.580 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)s1 2233023988 UQVNABCKEXJGGV-CYBMUJFWSA-N 547.932 7.056 50 10 KKGE FC1CC2(C1)CC([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2259486093 SXWMVWCWUIXYQJ-VVVTVSBHSA-N 525.901 7.000 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2283569076 VHQHSVDGYLVKCV-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288350780 ARNDQIFRBRGYPI-NSHDSACASA-N 584.793 6.718 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294762805 BRANDTCNEYAKSP-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE CC(C)(C)[Si](OCCCCCCCCCC=C(F)C(=O)N[C@@H]1C[C@H]1NC(=O)C(F)=CCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1 2294819190 YCNBWNBYXDAZRZ-RMLGUUAGSA-N 977.483 12.461 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2296500287 AKEPCLXDIFWKEB-UHFFFAOYSA-N 567.450 7.713 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1Cl 2296506806 FWYKNXAYAOOBSF-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCOCC1 2296709482 ZBTAWOPXEXQLEN-UHFFFAOYSA-N 559.453 6.191 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1 2313518649 NEIMRKMCNOQOKM-UHFFFAOYSA-N 538.385 6.123 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc(F)c1 2313570761 FSAGNRQFKYEHDS-UHFFFAOYSA-N 511.380 6.994 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c1 2314531388 AAKAYDWPAJFQBP-UHFFFAOYSA-N 529.394 5.720 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592119 MDZIJPGHOKMKOV-VWLOTQADSA-N 518.038 6.112 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592606 YLQLICXAVWZFDI-VWLOTQADSA-N 502.039 6.330 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Br 2314610603 JZOZGXDIKASJGM-UHFFFAOYSA-N 545.437 5.559 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314617138 RITGGRONYLWPNB-UHFFFAOYSA-N 576.656 7.050 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1C 2314617991 FHBJKMAMOYJSRN-UHFFFAOYSA-N 536.632 5.431 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314621011 YRPGDRYCIUHIDX-UHFFFAOYSA-N 567.020 6.523 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634484 YSWZKWKOOWAYRE-SANMLTNESA-N 517.379 5.603 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646738 LQUNLPPNHYDQQE-MHZLTWQESA-N 620.756 5.568 50 10 KKGE N#CC(=CNc1ccc(N2CCCCC2)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324606019 LFWFLLKAGPMIGD-UHFFFAOYSA-N 505.666 5.430 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 2331378665 NJCKYITVQWAFPO-UHFFFAOYSA-N 514.987 6.013 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331396796 DQUIWMUGANKNBQ-NSYGIPOTSA-N 513.663 6.920 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 2331471802 IDJKMSBLLUKWDY-UHFFFAOYSA-N 513.059 7.513 50 10 KKGE Cn1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2337096127 GFZDYLREYHARKH-QMMMGPOBSA-N 540.250 5.984 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 2362229243 JANGQWYNPYXJHP-LLVKDONJSA-N 526.252 7.795 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364227738 CZONUNBPDGSWKH-JTQLQIEISA-N 507.835 5.698 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)CCCNc2ccc(Br)cc2)o1 20291599 OBNAETQVGVONEH-MZJWZYIUSA-N 504.812 5.925 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 38606314 WNXFOYRKNYJYFD-YZSQISJMSA-N 524.621 5.264 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1C 40816282 AOXCDBVIWXLOBK-TWKHWXDSSA-N 514.409 6.000 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)c(Br)c1 100030700 FNDMMGAXFWQYCD-UHFFFAOYSA-N 554.919 5.329 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101341367 KEQAADPCSAZJIK-ZCTHSVRISA-N 621.093 6.317 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101372099 LATPUJQJPNFUIJ-HKBQPEDESA-N 558.631 5.865 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101377979 WYIQLIIPGMRFQD-LJAQVGFWSA-N 595.523 8.179 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OC(C)C)cc5)ccc43)cc2)cc1 101378707 NDJILTGOFSSLOY-JGCGQSQUSA-N 546.623 6.799 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380503 YIKILEDMQCACCF-YTTGMZPUSA-N 550.586 6.170 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 101381794 UUSXHUDVUVSSHY-YTTGMZPUSA-N 546.623 6.882 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)oc2c1 101396448 YSNKBXWXGXRXNJ-PMERELPUSA-N 536.628 7.220 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)CC1 101398293 RKVKWISIVWAVRZ-MMARFKFQSA-N 550.699 7.694 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 101594084 AHTPUXVXYRDDMG-GZZLJNBRSA-N 528.008 7.065 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602136 IVYWMBWDRTWYSC-WPWMEQJKSA-N 545.777 5.635 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 102666154 VLXGCKUZSRIJRG-BSSRNLCFSA-N 532.021 5.582 50 10 KKGE Cc1ccc(/C=N/NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1 103707022 XRHZLSJHRRMHII-OCSSWDANSA-N 524.671 5.973 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1c(Cl)cccc1Cl 103728649 ONKUEICVZWLBSU-QFSHWATDSA-N 511.472 7.503 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103736699 WUWFWZWQUTZWPJ-SHCJNDJLSA-N 594.236 5.966 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 103741689 DULDPRWAVJCCCT-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(Br)cc1Br 116715161 MUURQTZBTHUINT-QMMMGPOBSA-N 540.424 6.455 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2OC)cc1 150572963 MGWRSCACCTZQIH-HGCLHVAMSA-N 628.365 5.988 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(F)c1 164621650 HCEWRACKTYYSHR-VFLNYLIXSA-N 637.243 6.681 50 10 KKGE CN(Cc1cnc2nc(N[Si](C)(C)C(C)(C)C)nc(N[Si](C)(C)C(C)(C)C)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)cc1 195767841 GCABLDMNTCWHGO-XIFFEERXSA-N 911.503 10.866 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2C2(c4ccccc4O3)c3ccccc3Oc3cccc(P(c4ccccc4)c4ccccc4)c32)cc1 201861508 CPIYGZFQZMXWSV-UHFFFAOYSA-N 716.757 9.797 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C 203079266 LJLHFLFQOZBNDD-ABTDTXQUSA-N 561.012 9.855 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214211324 DFPWKEYZCWMTHD-QRQIAZFYSA-N 532.575 5.870 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 214296624 PIRUJZAYCLPBEG-JLPGSUDCSA-N 528.584 5.096 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 214364190 CKZIJGUBCZISMB-IMRQLAEWSA-N 520.633 6.171 50 10 KKGE O=S(=O)(O)c1cccc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 219080617 RHXHENONDKTUSO-UHFFFAOYSA-N 614.344 6.767 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1I 236225622 NQJVVOWBBCOYLU-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c2ccc(F)cc2)N3)cc1COc1ccc(F)cc1 254316660 FEPVRPKMJGLMDC-OZXSUGGESA-N 635.540 6.808 50 10 KKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O 254346920 CLQXXEFGCLTSGB-UHFFFAOYSA-N 539.705 6.217 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 254510048 ULOTUNJTURUSAD-UHFFFAOYSA-N 612.535 6.317 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)=C/c1ccco1 254516441 HRNWYFNKAXCIHC-HMTPVZECSA-N 513.667 6.431 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254837777 RDLIXYOFNGYYJW-UHFFFAOYSA-N 606.679 5.609 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(C)cc1Br 380262354 SUGFIGWULRNWIG-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232451 RGULCXDJBDOAKJ-UFXUHIKISA-N 635.352 5.642 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616583889 DGDYJRDKFZTURB-CEOGATBKSA-N 942.140 9.465 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2F)cc1Br 710300617 TWHFOOONOMKLNJ-AWEZNQCLSA-N 529.867 7.100 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3sccc3I)c2O1 720031029 GUBPDZDQVGHXBK-MADCSZMMSA-N 514.020 5.923 50 10 KKGE CC(=NNC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725420983 PLBSMNKEFBGTFM-AHPZMPFVSA-N 502.083 7.189 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)OCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069198 VIQGGYZFTMULIY-IJFXHUIUSA-N 647.146 10.753 50 10 KKGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1083868810 MTRHOJJRLQLZIN-UHFFFAOYSA-N 733.344 6.368 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1084026582 RCSAXQRHFLAORB-UHFFFAOYSA-N 593.705 6.163 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084322826 JSEXGIXVQGDDAE-UHFFFAOYSA-N 605.116 5.320 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084440848 KINXMVNXZWYQNL-CIAFOILYSA-N 599.255 7.876 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084466711 DVBCKPAHUNYESW-UHFFFAOYSA-N 558.704 5.374 50 10 KKGE COc1cc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1OCC(=O)O 1084601941 FYXZQLPJHMNIPP-UHFFFAOYSA-N 546.643 5.668 50 10 KKGE O=C(N/N=C(\c1cccc(F)c1)[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1614018674 ITHMJNJAKNONTC-PSMPFZBKSA-N 584.957 7.075 50 10 KKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749078 HBRZSPYOFMQGHM-UHFFFAOYSA-N 505.329 5.489 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434915 FTUXKEAMZSWESO-HWJZSRMMSA-N 677.433 6.812 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 1865690349 PCDGSGADKSIVPH-VWLOTQADSA-N 530.550 6.364 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865691563 VMCUZILZJVAFJI-MHZLTWQESA-N 521.621 6.120 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692972 GZSHQKMOTNHNEV-HHHXNRCGSA-N 507.594 5.416 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865693820 ZLUFHJAGCIRZSD-XMMPIXPASA-N 551.485 6.383 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865694303 SUHLNBGEIDVVHY-HKBQPEDESA-N 542.639 6.784 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696253 CXTWMHPRBRODFE-HSZRJFAPSA-N 577.866 6.581 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701068 KYUXJDCDECKHPF-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1OCc1cccc(C)c1 1865704711 CFZFKMSGNFPLPQ-SSEXGKCCSA-N 554.650 6.713 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865705132 NCJJTZWHUSBZSV-PMERELPUSA-N 568.633 6.353 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866760745 NPWDHKUGKNEIGW-RRPNLBNLSA-N 533.669 6.212 50 10 KKGE CC[C@@](C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867035593 QZYRPQUOLAATIE-GBXCKJPGSA-N 542.459 5.159 50 10 KKGE CC(C)(C)c1ccc(CC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)cc1 1868414081 IASXFTRCCCSTFP-UHFFFAOYSA-N 568.190 8.870 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 1872744709 FFTXKNPEYNOJTP-ULLSICJUSA-N 515.635 6.175 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1Cl 1872755860 JXPNZTWHVAUOIS-SILNSSARSA-N 514.390 6.080 50 10 KKGE Cc1csc([C@H](Br)c2sc(Cl)cc2I)c1Br 1900923841 FKWPNTIRDFIJLA-MRVPVSSYSA-N 512.457 6.623 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1c(Br)cccc1Br 1901795623 TWDAQUQPEGQEDD-INIZCTEOSA-N 516.068 5.407 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1916371299 XBXNHMDEDCIPPF-OAHLLOKOSA-N 567.059 5.106 50 10 KKGE Cn1ncc([C@H](Br)c2sc(Br)cc2Br)c1I 1922894255 ZCIWJNRKTOHJNB-ZETCQYMHSA-N 540.844 5.096 50 10 KKGE Clc1ccc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923055151 PPRLTZFRXKLHAU-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1 1924584892 DUCSXHCPOYFNQG-JTQLQIEISA-N 517.906 7.137 50 10 KKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1F 1924596935 VTLANZDVJGADOV-VIFPVBQESA-N 537.868 6.668 50 10 KKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924613661 STRYNOGBOPBQTK-BBVRLYRLSA-N 509.927 7.154 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2csc(Br)c2Br)c1Br 2083330233 MGSXSECBIXFVSX-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE COC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085495722 SBPKDDLWBHWMEW-NSHDSACASA-N 526.288 6.586 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(I)c(C)c2)s1 2086021596 ZRCODIKEWJHFSI-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1Cl 2093941813 CMWZDSDDZRUBAT-SNVBAGLBSA-N 509.872 7.073 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1Cl 2136967867 ZENSEZXWZDBEQJ-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2156118355 XXXFESJGTRSQHA-SLOVDRIHSA-N 513.467 7.578 50 10 KKGE Cn1nc(CC(CBr)(CBr)c2cccc(Br)c2)cc1Br 2168211424 MNBIHBPXTONDLI-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206394095 DRCJONYHVUUNIA-LLVKDONJSA-N 676.060 8.637 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@H]21 2206394984 KXBSPVJHFXFCMH-ZQRWZHINSA-N 548.338 7.309 50 10 KKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(I)ccc1Br 2207363880 QHZAYYALRDLVRT-CQSZACIVSA-N 534.388 6.339 50 10 KKGE FC(F)CCC[C@H](Br)c1c(Br)sc(Br)c1Br 2212202262 GYGPETXOQKHVOE-BYPYZUCNSA-N 505.842 6.907 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224318818 AAEDBOCQFBZGID-MRVPVSSYSA-N 529.306 7.421 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(I)c2)c(C)c1F 2253516711 PHBDHZWEDCROHK-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Clc1sc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2263615196 IFIUUSBNAPJVHO-JTQLQIEISA-N 507.519 7.687 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cccc(Br)c1Br 2277955697 LWKVWLNFVUUTKK-ZDUSSCGKSA-N 532.295 7.259 50 10 KKGE COc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)c(Br)c1Cl 2283550185 UAMDWMJWABSFPR-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2295275204 SKDVNGDJPYPOTE-OAHLLOKOSA-N 525.904 7.270 50 10 KKGE COc1cccc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295329344 HJPVEVMEJYQDNV-ZDUSSCGKSA-N 527.876 6.661 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CCCC2 2296025147 WHODKROGLIRMEZ-UHFFFAOYSA-N 503.605 6.010 50 10 KKGE CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C1C=C(c2ccccc2)SS1 2296409922 OPNIUZCQCNJSFI-UHFFFAOYSA-N 577.596 7.544 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2I)cc1 2296646551 PATPQYYERSSFIZ-UHFFFAOYSA-N 553.400 5.001 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2296704988 BJMJXVDKFVENMF-VWLOTQADSA-N 518.661 7.283 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1 2296720223 AKCHCINAHVHOGY-UHFFFAOYSA-N 563.683 5.997 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551513 OWFHZYWKSAYSIO-UHFFFAOYSA-N 546.299 6.501 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1 2313518150 NKGCLNZPETYDSX-UHFFFAOYSA-N 617.281 6.804 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1 2313541336 CDUGMSFSXFOGQR-UHFFFAOYSA-N 685.097 6.783 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 2313568242 QHLVHMCEXLZGSJ-UHFFFAOYSA-N 573.228 6.487 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313568475 TTYAGWOFOPSLAH-UHFFFAOYSA-N 523.168 5.473 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(I)cc1 2313571063 MLNKTAUCHFQSII-UHFFFAOYSA-N 619.286 7.460 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314616652 GJYZIAZXVGYGIJ-UHFFFAOYSA-N 522.557 5.104 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCCC[C@H]1I 2319215418 YNMBQOSRPTWZJA-ZIAGYGMSSA-N 535.001 5.707 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4cccc(Cl)c4)c(OC)c3)nc2c1 2331046357 JESUQIBAVCLEEE-UHFFFAOYSA-N 501.926 5.427 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3c(F)cccc3Cl)nc2c1 2331046568 ULPHZJDVVCFYCK-UHFFFAOYSA-N 519.916 5.566 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c2ccccc2)cc1OC 2331286563 KNBWCQZEGFMHPS-UHFFFAOYSA-N 502.542 7.139 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 2331429456 YCTFYEGLVBKTHW-UHFFFAOYSA-N 511.485 7.775 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)c1Br 2337088568 NKGKIOTUEQLDCA-MRVPVSSYSA-N 576.732 7.966 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)s1 2337090654 PZKKRZABNASYLF-JTQLQIEISA-N 511.863 7.465 50 10 KKGE CCn1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2360433549 GUTZVBHEVRWSLX-SNVBAGLBSA-N 509.826 6.358 50 10 KKGE Clc1ccc(I)cc1CO[C@@H](CI)c1cccc(Br)c1 2380354202 VVSAQHTXZZBVGT-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1 12578339 OGVJUCHJNHOPOT-UHFFFAOYSA-N 500.382 5.174 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14033056 HKJJUHQZRAPFEB-UHFFFAOYSA-N 524.687 5.114 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 14648387 UCDGKOJZPXXBBW-SFHVURJKSA-N 513.432 5.790 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 58891421 RGQMRHZDXWFNKQ-PVEGLGLCSA-N 511.962 5.190 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 58893886 QOYQEXRRWSGAFN-ZZJXEYPFSA-N 519.400 6.074 50 10 KKGE CCc1cc(C)cc(OCC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59679298 RINNKMGXHHMRTQ-BRJLIKDPSA-N 507.837 6.247 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(Cl)cc1Cl 100061452 IVYLKROQEZVGMY-UHFFFAOYSA-N 547.030 5.512 50 10 KKGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Br)c1 100062911 MNGZNGIKSPYOPD-UHFFFAOYSA-N 538.442 5.147 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 100154568 WNJUGWCXCZFUJP-UHFFFAOYSA-N 519.667 5.564 50 10 KKGE CCOc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 100224697 PGLDMPNLNQXJHW-WPUROATBSA-N 539.613 5.287 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 100238107 IIBNHPTVZCXHIL-RLKJGOPYSA-N 546.620 5.094 50 10 KKGE Cc1ccc(O)c(C(=O)[C@@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCCO3)c1 100487739 JSWCUROPOOPIIT-HOTGVXAUSA-N 535.026 5.317 50 10 KKGE CCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935477 ZEBMALKCYBSXBB-OFAXGOBFSA-N 603.145 6.608 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113190 WUYJOANZGNDAPL-RWPZCVJISA-N 536.213 5.775 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101241573 WXDCPQLMYXSRCW-UTDQILSNSA-N 500.451 5.845 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101307319 BIXMSDLUVREXRB-RUZDIDTESA-N 533.378 5.460 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 101373996 IDFYOJQNTGVESW-SONOPUAISA-N 546.595 5.994 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381261 NZFNCBXTLZQEJX-JJCDCTGGSA-N 605.449 7.303 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382735 WBNKEVVNCLTDQW-CBCUSGRTSA-N 569.444 7.409 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383769 JIVNGNWGHWGKQM-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386061 UAYDEDBHGCAXKH-HKBQPEDESA-N 569.013 6.130 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101395025 QXMDCQAIATWZAA-XMMPIXPASA-N 599.923 8.478 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397440 XECPISMCRRCDOY-GDLZYMKVSA-N 587.459 7.327 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 101853722 KDGCQNWWMCLRKY-ATVHPVEESA-N 520.916 5.981 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 102006698 KHQAEQDOXCWUOT-FXMZOFOKSA-N 550.851 6.618 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778968 YGLJRVSNYUBNFE-JBLLITDDSA-N 559.103 5.126 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1OC 102779623 CPLAXMPWNNFIPG-GDLZYMKVSA-N 561.119 5.301 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 103743816 NDUCAUIPCLHCAV-UHFFFAOYSA-N 528.588 5.427 50 10 KKGE CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(Cn3nc(C)c(Br)c3C)c2)cc(OCC)c1OCC 104956687 YMFIWGIGZLLJJL-WKULSOCRSA-N 573.488 5.279 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463072 BRVXDKXSKUOTEQ-JSOSNVBQSA-N 631.468 6.545 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 150482029 LVRBOQNSVDOMEZ-MHZLTWQESA-N 668.385 9.531 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485173 ZHUZEYULQMHEJD-JGCGQSQUSA-N 633.484 6.792 50 10 KKGE Fc1cccc(CC(CBr)(CBr)c2cccc(Br)c2)c1Br 157925746 MDESMLLIFWHMHL-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c1 159847191 BEWBSHPEVWMHNA-JTQLQIEISA-N 557.849 7.539 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 164625087 XQDNMTLJGMNKKW-XZYGTATASA-N 643.925 8.120 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCCC(C)C)c(OC)c1 206954583 ULANDCKKWLVSMR-JTDJOBQTSA-N 558.631 5.954 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214335883 CABVVCQYVFBNCQ-SJZWVRLHSA-N 556.666 6.988 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214354154 QXRPWCJNDPEUIG-VEILYXNESA-N 544.586 6.036 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1I 232342754 MBPXNFHAHHOYCZ-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 234922769 QKIBQEMPWMZBFK-CQSZACIVSA-N 534.388 6.292 50 10 KKGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 252590618 ATUDBRDPWBWVAS-UHFFFAOYSA-N 716.426 8.418 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1 252613956 JFMRIOXHVYMZRQ-UHFFFAOYSA-N 637.080 5.096 50 10 KKGE CCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(CSCc4ccco4)c3)c3ccccc3n2)c1 252617205 KOMHKWZLMYFMPD-UHFFFAOYSA-N 565.695 7.490 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)/C=C\c1ccccc1 252636352 XHXFNQYQWKWWGX-APCMQQFWSA-N 513.594 5.453 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 254296068 XOTMBCCGJBBKMU-UHFFFAOYSA-N 566.633 5.613 50 10 KKGE CCC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(O)cc1 254480618 ZXJBEJSACGNEQM-UHFFFAOYSA-N 532.691 5.363 50 10 KKGE O=C(CCCCCCCC(=O)NN=C1CCCCc2ccccc21)NN=C1CCCCc2ccccc21 254828941 ZKVKPTXFUPQISR-UHFFFAOYSA-N 500.687 6.211 50 10 KKGE C1=CC(P(C2=C[CH-][CH-]C=C2)c2cc3ccc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)=C[CH-][CH-]1 575320585 JQEMMUFFSNPNPH-UHFFFAOYSA-N 576.660 8.160 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1083949317 LUDAFSSEYONHPI-UHFFFAOYSA-N 609.247 7.086 50 10 KKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1 1084018265 NVBDABQZLDZNGX-UHFFFAOYSA-N 579.660 7.891 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 1084167039 UNQBIKPLAGDUBS-HSZRJFAPSA-N 592.861 5.886 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 1084187643 PREMMDQDYMSFHB-UHFFFAOYSA-N 613.965 6.240 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccccc1Cl 1084225858 PCYNNANXJDUAEZ-UHFFFAOYSA-N 566.677 6.607 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084259847 VFFAHFQRZJULOO-VWLOTQADSA-N 589.914 6.443 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084277069 IVBGKLHODYGASJ-UHFFFAOYSA-N 579.520 5.198 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084403591 GMNHOCCSWKHJAB-UHFFFAOYSA-N 583.085 5.631 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1 1084427777 UTNHIZVPTVQHNI-UHFFFAOYSA-N 611.935 5.094 50 10 KKGE COc1ccc(C=NNC(=O)CCCCCCCCCCC(=O)NN=Cc2ccc(OC)c(Br)c2)cc1Br 1084481851 BFBMVLOXHSLOPO-UHFFFAOYSA-N 652.428 6.730 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(I)cc1 1084607550 SHHULENODYQFNH-UHFFFAOYSA-N 562.205 5.971 50 10 KKGE CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015129 ZUDSRTIHRVOPBW-OXHOSHGGSA-N 632.514 5.241 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614693546 NCVJYQCIKISLRL-RHSMWYFYSA-N 545.171 5.145 50 10 KKGE CN(C(=O)c1ccc(I)cc1)[C@H]1Cc2cc(Cl)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615886544 FFEUTQSZIXNCFR-PMWNKBIASA-N 642.803 6.066 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747338 NIPMOILCZQPCIN-CQSZACIVSA-N 539.405 5.337 50 10 KKGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748498 KXXDXZBSDDIALK-UHFFFAOYSA-N 535.600 5.235 50 10 KKGE N#CSc1ccc(NC(=O)C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 1860593417 BEONETZZPQMYAB-UHFFFAOYSA-N 501.452 5.788 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865685312 GTSQRRLNPXQGLN-MRXNPFEDSA-N 534.152 6.782 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685719 MANWNKFKSBBUJD-OAQYLSRUSA-N 523.807 6.726 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688225 NKUVXVNTMYALGJ-MHZLTWQESA-N 535.003 6.581 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865690831 CCHFXZZWRDJNKE-VWLOTQADSA-N 545.437 6.112 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865693497 WJDVAEXHMJCDOX-JOCHJYFZSA-N 538.446 5.388 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865693700 QEXQPVWGYSJUJX-DEOSSOPVSA-N 563.441 6.480 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695313 BJPQSYLVYXIRLP-IBGZPJMESA-N 515.795 5.173 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Br)c1OC(C)C 1865697438 SLSMCBKZVURHJY-RUZDIDTESA-N 545.437 6.110 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705159 NQVJZPXQTGFWAH-SSEXGKCCSA-N 556.622 6.424 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1866128294 IEEHQWBHMDQSLS-FOWTUZBSSA-N 513.779 5.319 50 10 KKGE CSCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034278 MSHNQTPOSMPPEJ-SFTDATJTSA-N 574.526 5.112 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753625 GOVVDBAWGRHGLG-BOLJVCIBSA-N 503.580 5.068 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1OCc1cccc(C)c1 1872780780 KZUCNQRYFWIYIO-HYARGMPZSA-N 517.448 7.533 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873795226 COFBQQMLUFLFGS-BIZUNTBRSA-N 507.606 6.093 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 1898077775 DHMVJAJBPBJGFT-XTZAULBFSA-N 561.131 6.800 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915075591 GUSYUJHBSQHYMQ-CQSZACIVSA-N 551.060 5.870 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1C 1924586053 SXSANSNWAAFIAV-SNVBAGLBSA-N 517.906 7.137 50 10 KKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924590407 JETLQRLEMVZCLB-SECBINFHSA-N 538.324 7.482 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1I 2026217391 KPDRZJLHDQFFNH-OAHLLOKOSA-N 567.059 5.106 50 10 KKGE CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC 2080652608 KASDHRXLYQOAKZ-SJHIIYORSA-N 810.466 5.719 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccccc1I 2137654165 BGWOHBLKUMZJMX-GFCCVEGCSA-N 514.426 6.694 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)cc2Br)c1Br 2138856285 ZTEPOUDWFVXPIB-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2141468897 OZBQQSXCAGIDEE-SFHVURJKSA-N 668.843 8.800 50 10 KKGE Cc1c(Br)cccc1COc1c(Br)cc(Br)cc1CBr 2143690530 CQIBEKOBCDEQHX-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Brc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1Br 2148749174 HCVXRHWNQQITNF-ZDUSSCGKSA-N 539.912 7.673 50 10 KKGE CCCCCCc1ccc([C@H](Br)c2cc(Br)c(Br)s2)s1 2234127042 RKXSTVHHAFUZHR-AWEZNQCLSA-N 501.147 7.942 50 10 KKGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(I)c(Br)c1 2289895214 ASWSVEKUAHTDML-UHFFFAOYSA-N 517.043 5.327 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293345728 OWFUHWWXSBVGAR-UHFFFAOYSA-N 701.136 7.115 50 10 KKGE CC1(C)CC[C@@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@@]3(C)[C@@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 2296553645 NXUDOCUNEVFUGK-CIDABMOTSA-N 618.822 7.805 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)c1ccccc1 2296790233 YGRFPFPAHFNCDR-UHFFFAOYSA-N 520.566 6.251 50 10 KKGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N 2297296977 KPCOJTGZSUXZBL-UHFFFAOYSA-N 523.207 5.586 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=CC2=C(N3CCOCC3)C(=Cc3ccc(Cl)cc3)CC2)sc2c1CCCC2 2297491164 JXHFOMUBWYVIMS-UHFFFAOYSA-N 578.134 6.309 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2300169349 XNRPPYBGWCWKKA-UDJQAZALSA-N 514.252 6.614 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(Cl)c(Br)c2)s1 2300953558 KYBRQEOIISTBRE-JTQLQIEISA-N 526.846 6.906 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C#N 2313568436 SGHNKNBZOVWUTP-UHFFFAOYSA-N 549.368 5.605 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313571569 ZHVOHJSNNXHVDC-UHFFFAOYSA-N 577.218 6.797 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 2313631723 URSPEJDBOAASHV-UHFFFAOYSA-N 511.361 6.166 50 10 KKGE Fc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1I 2314492140 VHPOUTJQUGQSCN-LJQANCHMSA-N 531.590 7.100 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314619992 IVVRBZZXMRVUOK-UHFFFAOYSA-N 651.119 5.944 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 2331397510 KIGTWDCBRIQROK-RHSMWYFYSA-N 514.434 6.528 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OC)c1OC 2331406362 DATWHPLGVAUQCH-UHFFFAOYSA-N 500.576 6.504 50 10 KKGE Cc1ccccc1COc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331464541 OYIYQZSOKJFRSM-UHFFFAOYSA-N 500.623 8.554 50 10 KKGE c1ccc(SCCNc2cccc3c2[C@]2(CC3)CCc3cccc(P(c4ccccc4)c4ccccc4)c32)cc1 2333242449 TULSCBZXLKGSEX-QNGWXLTQSA-N 555.727 7.828 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 1790742 OJTGEGNVYLBXBS-SCIJIFGBSA-N 583.851 6.076 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C/C(Br)=C\c1ccccc1 1823516 PCCROHJXGHHCSA-HVFNAJFJSA-N 518.440 5.564 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655935 ITFBMQKBJFMUNZ-HHHXNRCGSA-N 501.369 6.513 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38682742 YNIRVBKLSLCKOC-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38685531 INRHTPYSCSEZPW-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OC)c(OC)c3)c(C)c2c1 38688613 KQCZNKXQKHNHRF-HHHXNRCGSA-N 510.546 5.758 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 40870057 LSNXHLLOZKULLG-LPYMAVHISA-N 504.970 5.173 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3C(C)(C)C)cc2)cc1 40911759 WYDOOYKTUKNWEN-MUFRIFMGSA-N 509.444 6.163 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 40929337 XLBIZIGGLRHHPA-HYARGMPZSA-N 502.567 5.318 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58886485 HYYZHQXEAHJADF-XZJBEKIMSA-N 501.410 5.935 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cccc(OCc2ccccc2)c1 100053764 LNZDEUBHPSIQHP-DHRITJCHSA-N 518.205 5.320 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1Br 100173279 YMNUPAHJLDOUBF-UHFFFAOYSA-N 556.910 5.085 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100188303 LUAUOHOPRMVUQL-UHFFFAOYSA-N 542.268 5.354 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)N1CCCCC1 101014388 OIHJFUKEGHSXPU-QQTULTPQSA-N 543.693 5.023 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245133 RUYZGHSOCMCBHH-HEQFHQOESA-N 572.008 6.741 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 101339158 NYIGSGYYRBFMJA-OVVQPSECSA-N 589.608 5.300 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1 101367391 JEFIQMCRTWWJQR-WJOKGBTCSA-N 579.565 5.385 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101372170 MVWDVSBGPOYCDR-KKLLTKOTSA-N 580.725 7.789 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101372278 PPUQFXYIRQMNLZ-HKBQPEDESA-N 591.104 7.127 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 101373679 QFLPOWCCJAPBOC-XDBZFTIUSA-N 532.568 5.604 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388080 RQZAZPMFULACJF-PMERELPUSA-N 587.459 7.408 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101395294 UOUUSHVXPLFSHU-GDLZYMKVSA-N 552.627 6.983 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1OC 101827216 NGAIHHBPPATOFG-CJLVFECKSA-N 550.652 7.163 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1C 102667115 GDWUGSKWISOTSW-LRRHNFBNSA-N 522.457 6.675 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccccc2)N(c2ccc(Br)cc2)C1=O 103741705 GTPDLWWXOGGFQZ-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1Br 104767458 RTPACDCAVCDFJQ-OGLMXYFKSA-N 551.470 5.236 50 10 KKGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104993062 RZJWYABJFSFWLE-OLFWJLLRSA-N 542.886 5.446 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(I)cc1 109835972 LYVSCBZBQRFUAJ-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE Br[C@H]1CC[C@@H](Br)[C@@H](Br)CC[C@@H](Br)[C@@H](Br)[C@H]1Br 111857268 KRBVZSQJTHCENM-UXOIPIPASA-N 613.646 6.141 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(I)c2)cc1Br 128805428 LVYRHLHKLGHDNI-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CN(CCCl)CCCl 150384475 VFBRDXSMQKKJLN-CDBRBCFXSA-N 662.699 5.962 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150388147 VUOOWLUWJICYCJ-NSHDSACASA-N 650.176 5.540 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150429042 MRCDDBZAXRZKNF-XIFFEERXSA-N 665.540 8.227 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 150432187 FTLKUTILKQKTBC-DVMDLWDRSA-N 728.365 6.236 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc3c(cc2Br)OCCO3)c1 161089605 FWXWTFLWQXDAKL-HNNXBMFYSA-N 541.859 6.230 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 162430761 UICWRHNFTVEBOD-AMVVHIIESA-N 646.486 5.234 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 164011825 ICSYRVNUJBEXRN-XICOUIIWSA-N 664.769 6.998 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 214379537 IZMHQFBXXDQZJI-QRQIAZFYSA-N 514.585 5.649 50 10 KKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 234844433 JFLUANBWLBLZFF-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 235814314 VMKLLRYUHZRVEU-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nccc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 247542350 SOGOMPJANKBXFD-YUZJIJRXSA-N 609.049 7.714 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(OC)c1OC(C)=O 254306937 CWKVVILCQFQEJY-UHFFFAOYSA-N 568.702 5.169 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1OCc1ccccc1 254505889 YRRWHXNCGMQQBP-UHFFFAOYSA-N 569.731 6.589 50 10 KKGE CC(=NNC(=O)Cc1ccc(Br)cc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254792850 IKKSORUBYSJUQZ-UHFFFAOYSA-N 542.249 5.303 50 10 KKGE CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](Cl)[C@]45O[C@@H]4[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C 256101430 HAAIKLIMLBUYHH-TVEQIZPRSA-N 627.303 5.278 50 10 KKGE Clc1cc(I)c(OCC2(CBr)CCCCCC2)c(I)c1 312310630 VLSWUAQAFZBBKA-UHFFFAOYSA-N 583.473 6.664 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 380003322 PWDREEAKTIBPAX-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE COC(=O)[C@@]1(COCc2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654227 NVRSKODTJANKRR-CUBQBAPOSA-N 513.707 5.548 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1Br 691637140 UQHFUGQQULXXEJ-LLVKDONJSA-N 519.803 6.737 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1OC 721571685 HMSLKILCPMRTEM-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE C[C@H](CCCCl)OC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Oc2ccc(NC(=O)CCC(=O)O)cc2)cc1 825426660 JDHBDYLMKUUISL-QGZVFWFLSA-N 578.876 7.820 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1 1083920997 MOPSUJULTITFOC-WOJGMQOQSA-N 501.797 7.170 50 10 KKGE CCOC(=O)c1nn(-c2ccc(C)cc2)c(=NCCSSCCN=c2sc(C(=O)OCC)nn2-c2ccc(C)cc2)s1 1084041389 XCNNIQYSJKKWFE-UHFFFAOYSA-N 644.870 5.034 50 10 KKGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084045645 ISBAUCDDHVJJGM-UHFFFAOYSA-N 605.311 5.586 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1OCc1ccccc1 1084196998 ZBICVHMEJHXTMO-UHFFFAOYSA-N 561.635 5.067 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084228158 QAPOZKWGJFVBTO-HSZRJFAPSA-N 555.425 5.089 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084235388 POQFIXQELVTPIT-UHFFFAOYSA-N 544.684 6.524 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1 1084249332 SFBVBAAOKIQCEH-UHFFFAOYSA-N 507.359 6.406 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)cc1 1084251800 ISOFJEGNTABVMV-KGENOOAVSA-N 541.862 7.899 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 1084268765 HSEQSOJVAHXSOU-HKBQPEDESA-N 543.639 6.175 50 10 KKGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cc2ccccc2cc1O 1084313403 CNLABWVCQQDKMS-UHFFFAOYSA-N 514.379 5.031 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C 1084330169 QSFCYGYHCGRIDE-HKBQPEDESA-N 522.674 5.941 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084536129 JCRHXIBJPQPAHQ-UHFFFAOYSA-N 669.985 5.461 50 10 KKGE COc1cc(C=NNC(=O)CNc2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084631025 OECXDINDBGXFMC-UHFFFAOYSA-N 502.796 5.252 50 10 KKGE CCOc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719590 BRMTZOBFUXGOGF-UHFFFAOYSA-N 784.819 5.728 50 10 KKGE O=C(O)CC1(CC(=O)NN=Cc2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CCCC1 1772742819 FWXSXVCNLFECGX-UHFFFAOYSA-N 529.822 5.588 50 10 KKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749758 ZDGNQZUTJWRGAG-UHFFFAOYSA-N 505.618 5.849 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Br)cc1 1772755000 FYYHVYLZDZLSGF-UHFFFAOYSA-N 568.518 6.403 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682193 IOMZPQAMEHOXCT-QHCPKHFHSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682599 SENXBNJRLTUBPP-LJAQVGFWSA-N 512.613 6.595 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865693852 RABRCMCQAFNPKK-RUZDIDTESA-N 508.578 5.482 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865695012 HUCWNYQQNMXUDW-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865695086 JLPSOFILJFMKDU-AREMUKBSSA-N 504.606 5.819 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OC 1865697383 QYMJJWPYRTWGNX-MHZLTWQESA-N 557.050 6.607 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701120 MLNHLOJUXPTNFE-GOSISDBHSA-N 564.665 5.927 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701539 XQAHYCIJTSMFGI-SFHVURJKSA-N 530.220 5.192 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865702985 KCQCIZWPTASNPI-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865703251 RJRRPWVODMWPBR-SANMLTNESA-N 527.024 6.419 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703545 AUAJWGBYDXHPQV-NDEPHWFRSA-N 525.052 6.561 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703842 GRFNDURWIHKVGF-GDLZYMKVSA-N 563.455 6.894 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865704142 OJXCBOZMNCXOFJ-HHHXNRCGSA-N 547.442 6.602 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Br)cc1 1866130094 AABBVFODOWGIRL-LDADJPATSA-N 555.450 6.226 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2csc(-c3ccncc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867056000 IMJZDMMXTPDVAQ-SANMLTNESA-N 571.684 5.002 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867130810 XIYNSOFYOGEZCX-LMSSTIIKSA-N 586.113 6.516 50 10 KKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141676 SPVVLZYXNYZHAR-NEKDWFFYSA-N 522.070 6.367 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455736 AUZWZCORVFXZRN-RUZDIDTESA-N 514.561 5.416 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(F)c4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456242 LMGOSGTYGRDYHC-UHFFFAOYSA-N 542.659 6.493 50 10 KKGE O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1)C(Cl)Cl 1871385382 PWPLBVVHGJVRKO-UHFFFAOYSA-N 512.061 6.076 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1OC 1872745651 XDIPBQRVGHKYKQ-AAMGNDOASA-N 511.987 5.335 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C(C)C 1872753529 BGONPLWCTODEEA-ZLVLUESYSA-N 503.451 7.818 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OCC)c1 1872755628 XGOVLXJAYPNKBW-HWAZLRDOSA-N 503.624 6.010 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872757392 DASDMTMULNNEDB-MAEFBQRMSA-N 507.999 5.976 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1C 1872757925 COGBDYIKOPFGKG-RWEWTDSWSA-N 513.619 6.314 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccnc1 1873498637 ZOXBZKTUOMQMNA-KCSSXMTESA-N 507.981 5.931 50 10 KKGE Cc1cccc([C@@H](Cl)c2sc(Br)c(C)c2Br)c1I 1922945633 IFQWCYUQAXPWOS-SNVBAGLBSA-N 520.455 6.823 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(Br)o1 1923071898 LRWUDSACMXOCMM-ZCFIWIBFSA-N 514.258 6.766 50 10 KKGE FC(F)(F)CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924580678 ULWZCGSWYOVZRR-GSVOUGTGSA-N 509.805 6.814 50 10 KKGE CC1CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924583436 JZSGDSSCAABNHB-IEIXJENWSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc(I)sn2)c1Br 1983286387 PKKFYPBIVLAGMX-RXMQYKEDSA-N 622.765 6.581 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C 2081228403 XVKFSLZSLVBIPO-IGPVTZSXSA-N 530.910 8.734 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]32)c1Br 2085495948 UHAXHHODZIPRPJ-OJKLQORTSA-N 566.751 7.219 50 10 KKGE CCc1cc(C)sc1[C@H](Br)c1ccc(Br)cc1I 2086149935 UOTGAAUXENDFPK-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE FCCOc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2189516857 GFXUZUHGHFPBHS-SNVBAGLBSA-N 507.444 6.759 50 10 KKGE CCC12COC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206398170 ROJAANDGDKLMLK-IYXRBSQSSA-N 552.326 6.976 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1scc(Br)c1Br 2264356499 NALJVERCUUQKJC-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268275608 GDUGJFRVJJBHSB-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(Br)ccc1I 2279048709 XUHXNLQFRZYBNJ-CQSZACIVSA-N 506.392 6.697 50 10 KKGE COc1c([C@H](Cl)c2cc(Br)c(Br)s2)cc(Br)c(C)c1C 2284588835 INNQQXOPCWNJAC-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE CC1CC2(C1)CC([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2287846851 PPHPFSJUNUPVNX-FHFXFUFDSA-N 550.354 7.843 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2295499901 DFBZYELUSQFILW-CYBMUJFWSA-N 519.480 7.765 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OCCOC)c1C 2296790078 MIEFKUDFNOKDEJ-UHFFFAOYSA-N 525.652 5.699 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790122 PWUNBRGMNJJPPD-UHFFFAOYSA-N 530.071 6.942 50 10 KKGE Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)C(C#N)=Cc4cc(C)n(CCC(C)C)c4C)cc3)sc2c1 2297486964 YWMOIJIVXMOQRS-UHFFFAOYSA-N 540.689 6.825 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2297555019 JYWGNKJYLZWPPM-DEOSSOPVSA-N 536.484 6.984 50 10 KKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1Br 2300996807 ABIDRJBAXFDSNF-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Clc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(I)c1 2301798635 MKSVXUQUGPYVLU-SNVBAGLBSA-N 573.846 6.748 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(I)sn1 2313750262 SVPMMTQYNLVHSL-SECBINFHSA-N 545.824 6.440 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314456980 OHVAVNJSQCOVMP-UHFFFAOYSA-N 501.327 7.916 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593296 KYCMHZVOOAEAJL-DCFHFQCYSA-N 563.645 7.132 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314609965 AXFOTVAKBHANFW-UHFFFAOYSA-N 578.672 7.274 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314610623 KJGUVIZHSYUQMG-UHFFFAOYSA-N 563.057 6.772 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 2314646931 VEJZVKMQDKNKSY-AREMUKBSSA-N 630.682 5.211 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 2314772551 HQKLRMUNJMOEIK-UHFFFAOYSA-N 529.431 5.306 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331390099 IRHIYSYBKGQQTF-UHFFFAOYSA-N 503.451 7.703 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2331414474 JWYWXJHBOBCSSX-UHFFFAOYSA-N 514.401 6.732 50 10 KKGE Cc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1I 2362226773 ZHUHJLGVYASNGY-ZDUSSCGKSA-N 552.834 7.245 50 10 KKGE Cc1ccc(CBr)c(OCc2cc(Br)ccc2Br)c1Br 2380674153 QWLQIFCYHPTLDA-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCCCCC)c(Br)c2)cc1 14640816 UXQMPQXQTWTAGV-UHFFFAOYSA-N 519.480 6.442 50 10 KKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1 20457645 JUBFCPOOBAHFKP-DHRITJCHSA-N 502.752 5.283 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 29503244 VERHXAQNGSJDGC-HKOYGPOVSA-N 539.661 5.424 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Br 33858462 MXASPDCYCGEHBE-AQTBWJFISA-N 512.201 6.336 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649864 WLWZGXAKARUFRC-ACSYHNTCSA-N 510.634 6.699 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38687526 IYZQGUXTQJWPAW-MHZLTWQESA-N 508.574 6.584 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(F)cc1 38688025 WWVMUZIEPKHZCL-NRFANRHFSA-N 511.361 6.785 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 40881607 RYRWRWPLJWJQNK-YZSQISJMSA-N 509.989 7.373 50 10 KKGE C[C@H]([C@H]1CCC[C@H]1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C 60291214 OOAXYFJPTQXWPN-IWGZPIKUSA-N 526.685 10.062 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 100076858 NTKUJEFZDRYLKY-UHFFFAOYSA-N 543.476 5.493 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1Br 100173390 ZXWICUBUHURPMW-UHFFFAOYSA-N 597.535 5.610 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 100232692 JWZTYYOISGGFRG-RGVLZGJSSA-N 536.382 6.189 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 100234049 RTFHUHZRQYBXLD-RLWVUDJFSA-N 545.421 5.061 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 100235985 IJLONXRACLQIRV-OTQJEQPISA-N 561.476 6.544 50 10 KKGE N#C/C(=C\Nc1cccc(Cl)c1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100404455 UEDQTSHKMWZXKJ-FMIVXFBMSA-N 519.207 6.962 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2c(Cl)cccc2Cl)o1 101022373 SDBQXIBWFRGVEY-GHRIWEEISA-N 537.424 7.704 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 101245833 TUXKSZALSMPDQA-IDJUBOEBSA-N 536.484 6.984 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 101335034 DDHCTNRSIPNJJR-WPWMEQJKSA-N 500.558 5.340 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 101338101 CPQVRWIRUPHHLY-ZTKZIYFRSA-N 542.639 6.081 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101340772 CVDFURNIDOHZQK-OGLMXYFKSA-N 577.084 7.081 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101362215 HOHUEWFTPDMOLU-SANMLTNESA-N 553.442 7.008 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362653 RMPBHNDGHXZUPU-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101367639 DNMHAJGQAWHIOE-GDLZYMKVSA-N 530.577 5.085 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101368882 PDVHOIAZMGHHNX-XMMPIXPASA-N 521.367 5.294 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 101369147 ZAKZLFBPRLEMDX-DEOSSOPVSA-N 541.785 5.314 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101375400 YJMNXPFMAVNVAV-YTTGMZPUSA-N 572.658 6.256 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 101377914 XJZFWQMCEKKJQM-HKBQPEDESA-N 540.660 7.262 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385570 PBYDUMCZFANKSP-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101393053 ZQEYJGQRRYKBCU-MUUNZHRXSA-N 597.495 7.407 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101398617 LAIJYXDYLKJEGF-MHZLTWQESA-N 617.485 8.364 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 101405916 MRFSKLUHCNKHJS-ASYBXRLASA-N 618.715 5.245 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1OCc1cccc(C)c1 102933016 RXYXUMUMNYLPDG-BKUYFWCQSA-N 549.421 6.068 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Br 102935073 MSCLWTSHPFEKBO-BOPFTXTBSA-N 546.646 6.990 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 105664397 FCCWVEYVRHNQMR-XFFZJAGNSA-N 517.679 5.725 50 10 KKGE COc1ccc2[nH]c(SCC(=O)Nc3ccc(SSc4ccc(NC(=O)CSc5nc6cc(OC)ccc6[nH]5)cc4)cc3)nc2c1 150427035 RMMRPEBPFBPIPR-UHFFFAOYSA-N 688.882 7.717 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430204 HPWMVPMCLMGFPF-JGCGQSQUSA-N 628.037 6.428 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497450 MRRBPBDQESKXKP-HATFGZLPSA-N 640.743 8.625 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2ccccc2o1 164645954 BLHYJJWEPXWQSI-KKMKTNMSSA-N 654.096 6.905 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 254441351 YNUWRQAQMQHZQG-UHFFFAOYSA-N 536.628 6.736 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 254489928 MNZUESFCFHVYIX-OEDIAIHASA-N 605.651 5.581 50 10 KKGE C=CCc1ccccc1OCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254701507 CQWXRALIPIVRRD-UHFFFAOYSA-N 542.639 6.376 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)c(O)c1 254756617 XIZIKFJWQIRIOY-UHFFFAOYSA-N 528.609 5.243 50 10 KKGE COc1ccc(/C=C2\C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1 254800587 WILCZCMGHLBOOA-ABUYHKKZSA-N 523.633 5.875 50 10 KKGE CO[C@@H]1O[C@H](CBr)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 309784947 GBRWKBAOTRGDCL-CRWBFSFISA-N 527.455 5.509 50 10 KKGE in-vitro O=C1Cc2cc([C@H](Br)c3csc(I)c3)c(Br)cc2N1 311934845 JHBWSAKGUCTIPK-CYBMUJFWSA-N 512.992 5.094 50 10 KKGE C/C(=N/NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408949 XLCRHAQMJDPQIQ-PSZCKBNDSA-N 646.788 6.431 50 10 KKGE Clc1ccc(I)c(COc2cc(Br)ccc2CBr)c1 691462790 KQTBYLCVZWPBMO-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(Br)sc3Br)c2O1 720127524 XUQDNZNORHYVCX-SREIQFSDSA-N 501.465 6.687 50 10 KKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(F)cc1F 721608169 DYPLNAXBYFFGBP-CQSZACIVSA-N 501.934 6.125 50 10 KKGE O=C(Nc1ccc2cccnc2c1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237590 KTUWOKIKGPONEL-JOCHJYFZSA-N 503.933 6.267 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3[C@H](C)CC[C@H](OC(=O)[C@@](OC)(c3ccccc3)C(F)(F)F)C(C)C)[C@@H]12 725239079 WKBJJVNVHWVMMW-YRZPMWHRSA-N 919.295 12.278 50 10 KKGE CC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1N=C1[C@H](Br)[C@H]2CC[C@@]1(C)C2(C)C 1081088289 GMRWFFOCVOKFBW-OGBYTVIASA-N 530.506 7.834 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc2ccccc12 1083916921 DRSHEHMSRQDSJA-HMAPJEAMSA-N 513.391 6.736 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1ccccc1OCc1ccccc1Cl 1083943478 IIJFFLRSUBBVGP-UHFFFAOYSA-N 531.102 7.795 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084080778 PRNORQJMTIVVSZ-UHFFFAOYSA-N 590.771 5.869 50 10 KKGE CCOc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC 1084206385 UPGDATWMBHWBRW-UHFFFAOYSA-N 556.707 6.300 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 1084323613 FVGMRMXHELFXFM-XMMPIXPASA-N 702.302 5.977 50 10 KKGE COC(=O)c1ccc(Cl)c(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)c1 1084417655 JCSUBYBPLLERFY-UHFFFAOYSA-N 501.720 5.659 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 1084486044 DVGSJEOIWUIWGT-RUZDIDTESA-N 522.001 5.162 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1cc(Br)ccc1O 1565517707 WWSBYVROFGMBAN-YTTGMZPUSA-N 695.574 6.881 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 1772754311 WVDYHEJDFJZAPN-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE CC[C@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665487 MYLPOKATQGVMSF-CHYBXQNISA-N 644.617 10.347 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865689256 NXRNWVSMKLVCEN-GDLZYMKVSA-N 541.051 6.398 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865691650 XMMCXLZGYCMMNF-RUZDIDTESA-N 567.484 6.138 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865691977 GRWNSBLPDRHFLR-HXUWFJFHSA-N 577.401 6.449 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865692052 IAVNEFVGDLHQBY-HSZRJFAPSA-N 539.430 5.358 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865693469 WCBSUAFXAMHUFW-QFIPXVFZSA-N 575.866 6.064 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865694254 RUBOURDXSPZCET-PMERELPUSA-N 575.068 7.389 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702732 CVKDHIHRTTWIHB-MUUNZHRXSA-N 508.597 6.129 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704952 IQTZAPFQEHYRGM-HHHXNRCGSA-N 575.496 7.246 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706850 HDBZSQCIYWMJRB-HSZRJFAPSA-N 532.959 5.332 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 1865714747 PFQDIFMXDKZERN-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867179135 UTWIWBUDPKPXDG-HHHXNRCGSA-N 524.646 5.694 50 10 KKGE Cc1ccc(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867230118 GQSMKXUOANHNKO-HSZRJFAPSA-N 526.431 5.379 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@@H](Cc4ccccc4)COCC3(C)C)n2)cc1 1868320816 OLNLGJYFXGZGBZ-SANMLTNESA-N 521.690 6.995 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(CCOC)[C@H](C)C3)n2)cc1 1868528622 WYFXCPXTDYCJHC-OYRHEFFESA-N 518.687 5.404 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872744702 DYCRNCDUJZXRNK-LCUIJRPUSA-N 509.587 6.492 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 1872755008 UMKFFVXTNBVNAH-KNGISPOXSA-N 510.015 5.883 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc(Br)s2)c1 1899856264 GOLBFBJODSDYHY-SFHVURJKSA-N 517.080 7.336 50 10 KKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924591256 OUYIAUOIMNKSSP-VDTYLAMSSA-N 531.880 7.297 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924593449 DZAJLSLBWUYEKW-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Cl[C@@H](c1nscc1Br)c1c(Br)sc(Br)c1Br 1924605472 RVUPWUDKBIWCCS-RXMQYKEDSA-N 531.314 6.583 50 10 KKGE Clc1cc([C@@H](Br)Cc2ncccc2Br)ccc1I 1924861497 OOYDYBIESARVNZ-JTQLQIEISA-N 501.387 5.781 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)s1 1948823722 QOSBPANKGSPYJU-JTQLQIEISA-N 524.297 7.173 50 10 KKGE FC(F)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048700 SMROONYWOUTDAR-ZETCQYMHSA-N 554.618 6.735 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)sc1Br 2003648933 DDEUHHUDIQBMQT-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)co1 2085493699 FWOSJCUUVYOBJZ-JTQLQIEISA-N 566.707 7.122 50 10 KKGE CCCCCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494478 CQTDOYUGFSHBKG-JTQLQIEISA-N 526.332 7.987 50 10 KKGE Brc1ccc([C@@H](Br)CCc2ccc(Br)cc2Br)cc1 2113488931 JFYNOUXXZKGHOB-AWEZNQCLSA-N 511.877 7.043 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Cl 2139425966 HVZQXRDNCXNPHV-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3cccc(I)c3)cc(Br)c2O1 2146630330 WDOPBPALSNURKD-PSLIRLAXSA-N 507.991 5.861 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3csc(Br)c3Br)cc(Br)c2O1 2150335749 DWBWDXHCQACTJJ-KBUNVGBDSA-N 545.916 6.843 50 10 KKGE Cc1c(F)cccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395044 LGKBXHDKJZOPAD-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206410250 VZOXVWRNBMVEBF-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(Br)cc1I 2207269762 WHAPXNGXCDBTMA-MNOVXSKESA-N 515.027 5.127 50 10 KKGE Brc1ccccc1[C@H](CI)OCCOCCOCCOCc1ccccc1 2236086612 YQIBRNRJOKOSGD-NRFANRHFSA-N 549.243 5.192 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)Cc2ccc(Br)cc2Cl)c1Br 2237458369 PEKPYABNKGEKQN-CQSZACIVSA-N 501.871 7.459 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1I 2248216356 RNEXVMLCUUDRKG-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263447625 CFRQMWZTMMWBSF-LLVKDONJSA-N 517.906 7.023 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)c(C)c1F 2279156913 PAENAEDODCWXRV-CQSZACIVSA-N 576.867 7.056 50 10 KKGE Cc1cc(C)c([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2283575357 VIWPEVWGKGTFSI-MRXNPFEDSA-N 528.453 7.117 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1Cl 2285945459 HTAUSHFZDZDWAJ-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 2295459802 ZPINXXZFTYQOCR-UHFFFAOYSA-N 515.285 6.233 50 10 KKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4cc5c(ccc6ccccc65)oc4=O)cs3)cc2c1 2297315492 IGXBVNAUCGSRBG-UHFFFAOYSA-N 521.985 7.344 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Br)cc1 2313565314 MESKAXVLLJEUIX-UHFFFAOYSA-N 586.530 6.411 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313565343 UGBBHILGXQFJJD-UHFFFAOYSA-N 502.412 5.284 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2314476551 QMGFDWYSXVQGCH-UHFFFAOYSA-N 663.804 5.694 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593367 LYWXLHRKKPHYAK-BCHFMIIMSA-N 584.063 7.279 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616799 JZURJMSMXUOMSA-UHFFFAOYSA-N 508.574 5.118 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617819 BLMXWWYVNFREEP-NRFANRHFSA-N 510.565 6.157 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5Cl)ccc43)c2)cc1 2314640609 AZFKXLSOKKWITL-YTTGMZPUSA-N 583.471 7.718 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1OC 2331242260 IUVPMAOVZXGUNG-UHFFFAOYSA-N 509.543 5.578 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331349380 OKJISFWAAJOLFT-UHFFFAOYSA-N 515.635 6.318 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 2331463598 UVDMLAAAWYCHNV-UHFFFAOYSA-N 504.696 8.282 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2337275938 AYBNGGGZNYJCHN-MRVPVSSYSA-N 523.795 5.470 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1scc(Br)c1Cl 2339689834 FZLSBYFCFWBKCQ-JTQLQIEISA-N 511.863 7.465 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1c2ccccc2cc2ccccc12 12583934 KVKRTIDDPPDLKU-LGJNPRDNSA-N 512.201 6.047 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642253 SQOBTSSLPIPXND-SFHVURJKSA-N 511.416 5.235 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 20826816 XBOVKISUHYBWJH-UHFFFAOYSA-N 524.694 5.434 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 35516329 CCNGGCAUPIXVNJ-XDJHFCHBSA-N 523.618 5.133 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650869 XDNAIEKWMKABPY-IIMAJNMQSA-N 526.633 6.580 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38654526 DXZSYRHOQBWGEF-HSZRJFAPSA-N 512.305 5.104 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680647 FMXYMIBUKDZRKY-IVCQMTBJSA-N 506.961 6.194 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813532 IJTJIEMERVNGOU-NJZRLIGZSA-N 501.970 6.126 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 101339208 XSHNHGORRGIDGE-TURZUDJPSA-N 620.681 6.319 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1 101367594 OTNWXUFBOVOLQF-LJAQVGFWSA-N 583.984 6.273 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369322 ACZJAISAXMQIRV-GDLZYMKVSA-N 524.960 6.335 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378858 IXKDCACSQPWFGZ-MGBGTMOVSA-N 546.623 6.339 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386847 QMBYDSVWLYXXNV-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388093 YBMBFASGDZQJSL-YTTGMZPUSA-N 617.485 7.174 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101393344 NJATWXKIUWWGFS-PMERELPUSA-N 552.627 6.921 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101396019 HPECREMLAQRQRB-PMERELPUSA-N 577.077 7.144 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399673 RVLIGQKGAMANKU-MGBGTMOVSA-N 604.634 7.604 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cccc(Cl)c1 105566970 DTIVPDRGHAYOCB-XHPQRKPJSA-N 516.873 6.639 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl 150422085 WTQOYBKPSYARLE-CAOOACKPSA-N 638.245 7.030 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433718 DWGAKAKIXQKNEF-MGBGTMOVSA-N 655.534 8.772 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 150460754 MDJFMJKPNFBXJB-SANMLTNESA-N 643.976 8.732 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498122 KPLFHZPYEAIHIR-DMGSHAKESA-N 675.767 5.481 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)c2ccc(C)cc2)cc1Br 164605384 RSIMSEMSXGOQDP-FDAWAROLSA-N 637.512 5.834 50 10 KKGE Cc1c(O)cc(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1C 199190653 WIIDCFZCTGOZCQ-UHFFFAOYSA-O 539.720 8.372 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C\c2ccccc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 206186975 QXLHVKBUKVLPPR-DWAVHZDUSA-N 500.554 5.862 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1OC 206694553 HPXMCCMMAYXGAP-QJOMJCCJSA-N 591.686 7.322 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 245267368 LJZYUHILMGEOPH-GGRZZLSYSA-N 615.863 5.756 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534595 NBJRFADZXIXCDP-KZRJXXEGSA-N 672.642 5.353 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 253576841 WIIZFOFPTVPDPO-VVEOGCPPSA-N 714.610 5.645 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=Cc1c2ccccc2cc2ccccc12 254379571 SAPSOPLJTRFWCG-UHFFFAOYSA-N 507.615 5.723 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254715082 QELCBBAGWBOEJL-UHFFFAOYSA-N 515.639 5.188 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 255970290 DUYDNPDLGLCXCC-SFLXHOFOSA-N 585.298 7.027 50 10 KKGE ClCc1cncc(Oc2c(I)cc(Cl)cc2I)c1 384996156 RPKJTEASWRKWBO-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE Cl[C@H](c1scc(Br)c1Br)c1csc2c(Br)cccc12 705462284 DYJFIDUWMZWGTP-NSHDSACASA-N 501.490 7.579 50 10 KKGE COCCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721573340 QZMVIIZJFLJLDP-MRXNPFEDSA-N 510.007 5.727 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)o2)cc1 725440301 XQBRQBGTHSYVBL-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)C(=O)O 888085926 JDNCCENFXJWTKB-QTFGCHOUSA-N 562.908 7.425 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1083891741 FOBDHOQERQBKLO-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1083927838 MDTKBAMKXAZIIN-UHFFFAOYSA-N 686.506 7.317 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1084169077 JQTSWGJRKGZDBE-XMMPIXPASA-N 659.202 7.460 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1 1084226744 CSZSZOKYHVURDP-AREMUKBSSA-N 517.423 6.145 50 10 KKGE COc1ccc(N([C@H](C)C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1 1084240425 WXNJRJAKOXOUAZ-MRXNPFEDSA-N 659.386 5.657 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C 1084253206 JXTNPEIZVXCHSJ-UHFFFAOYSA-N 526.662 5.417 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084274722 KTFQEQUIHHXPBP-UHFFFAOYSA-N 624.568 8.840 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1 1084476571 YETKOUPIVGEYRX-UHFFFAOYSA-N 620.775 6.879 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Br 1084598630 MMYXRLNEOABIHN-UHFFFAOYSA-N 698.810 6.482 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 1772720567 RCKBIATVNOTQED-UHFFFAOYSA-N 770.792 5.337 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(OC)cc3)CCC4)ccc21 1772746764 ZUBFPLAJUGCPOA-UHFFFAOYSA-N 534.616 6.447 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749956 SVVQPDKBOBAIHQ-HNNXBMFYSA-N 558.437 6.251 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772753831 KWVHREAKUNPCDY-UHFFFAOYSA-N 507.801 6.072 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccc2ccccc12 1865682704 WAFOVQWFWBNNPB-IBGZPJMESA-N 511.301 6.025 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865684068 MGLDDVORVSDDTO-JOCHJYFZSA-N 519.388 5.838 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685230 GBHIXKFMVKLWJY-NRFANRHFSA-N 523.807 6.726 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865691116 JPWPUYHJSZLUTP-AREMUKBSSA-N 525.008 6.043 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865691268 ODRRCXGFYLBRQH-GDLZYMKVSA-N 550.659 6.734 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865693461 VWQIQVBFVWLYBM-QHCPKHFHSA-N 555.448 5.801 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865694676 ZASQKHHDCUOSCN-MUUNZHRXSA-N 527.024 6.089 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694887 DWCGYCBFWKGTJM-NDEPHWFRSA-N 524.596 5.747 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OC 1865695203 MONQGMTXFUTJPU-VWLOTQADSA-N 551.485 6.383 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865695347 BTAVBURDUHPWAU-OAHLLOKOSA-N 576.156 5.893 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865696241 YQCPRZVNLHGNFN-VWLOTQADSA-N 546.549 6.314 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(Br)c1OC(C)C 1865697140 NZESBJWNOIDPBE-NRFANRHFSA-N 529.822 5.611 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698486 VFJZDOGGNZDTLZ-RUZDIDTESA-N 561.425 5.903 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703195 PNIPSAJODZWCEX-HXUWFJFHSA-N 553.368 6.424 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703727 DBGHICYBHPNPLX-QHCPKHFHSA-N 512.953 5.177 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704349 UAMNMSANIPDGND-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705327 SIOGMHNUSPIWHC-SANMLTNESA-N 525.008 5.975 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705788 GAHKYSSEXVMLIS-HSZRJFAPSA-N 545.393 5.243 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714485 LRQAXLOTELAYED-QHCPKHFHSA-N 529.940 5.092 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)n2)cc1 1868528433 UJVFGURMUUCIAP-NDEPHWFRSA-N 569.134 6.932 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C(=C\c2ccccc2)c2ccccc2)n1 1872754145 FJFRBPJWPHXPGE-UZGKJVJGSA-N 505.426 8.159 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1Cl 1872756209 FQWDAUOKOFMBLK-QOMWVZHYSA-N 502.979 6.662 50 10 KKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Br 1922946678 ULDMYQSFMQVFPK-NSHDSACASA-N 519.878 6.529 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1scc(Br)c1Br 1924053977 VXWGMRZEXIADAQ-WKEGUHRASA-N 518.894 6.670 50 10 KKGE COc1cccc(OC)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924602150 SNEBJRYYBBCQNO-JTQLQIEISA-N 549.904 6.537 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)c1Cl 1925587436 JNXZUULNIWDWJL-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Cc1nc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 2003569034 MKBMVWILQLJHEY-SCSAIBSYSA-N 589.792 7.047 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2054325764 NMIFFCWRXGCURO-MPAJBFDCSA-N 518.855 7.804 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2154367819 XMDSXEACYMKXDZ-IEBWSBKVSA-N 512.717 6.346 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCC(OCc2ccccc2)CC1 2179827519 GFOAQDBLUHWQTA-UHFFFAOYSA-N 517.283 5.022 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396338 VQPLZUHGBADILR-NSHDSACASA-N 767.511 8.588 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2221004791 RDQGWQACSDVTAI-SECBINFHSA-N 521.938 7.442 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1OC 2283450785 LKSIYTGDDHLMDL-JTQLQIEISA-N 505.453 6.428 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(Br)c1Cl 2283561764 NEVSFJJQYFLGCX-GFCCVEGCSA-N 548.294 7.120 50 10 KKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2285673905 DYSXHNGOANLKPE-DGAHNEANSA-N 604.747 7.854 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293198304 RXIZPUGXHCUJJP-XMMPIXPASA-N 540.447 5.918 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2295264422 FMLIKWIJTFFYNY-NRFANRHFSA-N 510.653 7.483 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2296723185 UQBFLWVJLDRYEC-UHFFFAOYSA-N 500.942 5.393 50 10 KKGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 2297296971 FJRCMYOHIYOQDP-UHFFFAOYSA-N 555.252 7.583 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1 2313518139 MLZCGXIMMBNMES-UHFFFAOYSA-N 538.385 6.123 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1 2313541310 AOUYLPSMFZCUPO-UHFFFAOYSA-N 593.646 6.832 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1 2313571154 ONXGHMTTXOSXMG-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571210 PXRLNCWJFWAHQV-UHFFFAOYSA-N 522.266 7.258 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)c1 2314475867 DQWVGJGNKCLJQU-UHFFFAOYSA-N 597.741 6.294 50 10 KKGE Clc1ccc(Br)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497645 MKZMFDNBLVFTOD-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE COCc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 2315098445 UQKJYUVPVROSKD-CYBMUJFWSA-N 502.009 5.746 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)cc1Br 2315589841 SRHVRVOLXDZPOY-JTQLQIEISA-N 501.842 5.500 50 10 KKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1c(Br)cc(Br)cc1Br 2329662018 UZTIGAVUJCELBU-UHFFFAOYSA-N 563.869 6.282 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 2331376630 AJEDGHGDYNEHFB-UHFFFAOYSA-N 511.987 5.479 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1C 2331429680 RHJZBUJUTQWLMS-UHFFFAOYSA-N 506.219 6.422 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2cc(Br)cc(Br)c2O)n1 2331449300 KRDATKQRBJJNQT-UHFFFAOYSA-N 506.219 6.422 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(I)c1 2339676957 YVXYJNSDXULOMC-LBPRGKRZSA-N 562.840 6.748 50 10 KKGE Cc1c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)nn1C 2360427485 VTJCTDHKYZVCBM-JTQLQIEISA-N 509.826 6.184 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362226542 ZWFYOXYGKKNBMZ-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE COc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2365839540 BITRJRUDOADRPG-SECBINFHSA-N 527.862 7.212 50 10 KKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491606 IOCXZXVYYXSHFO-HKOYGPOVSA-N 544.615 5.282 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 35445920 OWJURPWWKZXHCZ-GFMRDNFCSA-N 522.674 7.376 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651539 DUHPBDHJWQOUPR-RUZDIDTESA-N 505.368 5.214 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)c1 38683931 GICUHNAPNPUOOK-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38685145 HJAWXXAAGGROLB-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38686099 NUFRJNRUHGPXRI-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 38686685 MLGKHNVWKAWWIO-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE O=C(CCN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 39793602 LHKFAQYBQWHNOR-ATVHPVEESA-N 523.105 5.218 50 10 KKGE Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1 59332950 KZWMLJZQHCYUJM-JJIBRWJFSA-N 516.439 5.592 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100143659 CKNFIRPNJSVSNS-UHFFFAOYSA-N 546.693 5.221 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(I)cc2)cc1 100234864 KZUDNSUQBUOVJG-VNIQIGACSA-N 558.416 5.233 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101293540 WUDDZQBHXBZAIV-HKBQPEDESA-N 548.570 6.407 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101336512 CHOJOWDOWLRLMZ-KCSSXMTESA-N 612.089 6.959 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 101377945 LCVMKOXZCLJKTA-DFXYEROKSA-N 544.623 6.766 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 101382348 HWKGFDZOPIVSJT-HKBQPEDESA-N 532.596 6.410 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382848 AXXBKHOKRDMPRK-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384965 ZTINNQJIYQYVMQ-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385126 WRVBKCMHIGLOHX-HKBQPEDESA-N 548.595 6.029 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc(OC)c1OC 101393431 REIIWNMTWXTMLV-HSZRJFAPSA-N 549.004 6.018 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(Cc5ccccc5)Cc5ccccc5)c(C)c43)coc2c1C 101619681 NLWHCCLTFHOACZ-GGFUHWEBSA-N 573.693 7.193 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1OCc1cccc(C)c1 102932967 PJXVDBQNCNZBCL-GRSHGNNSSA-N 593.827 7.953 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1O 103878384 MZSNTOYLUHRSJG-STBIYBPSSA-N 565.411 5.926 50 10 KKGE Brc1cc(Br)c(O[C@H]2C[C@H](Br)C23CCCCC3)c(Br)c1 117316391 YFMWMTKCBFQBCB-STQMWFEESA-N 531.908 6.839 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1 150382900 QOWUTDUHOLVJQF-MGCJZSHXSA-N 674.704 6.092 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 205664089 WBQRNMPKHBZKAK-QDFMTWCFSA-N 532.571 6.550 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 205666849 UNFDGAZLYJVNBN-IFCBZFTLSA-N 548.570 6.250 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 205983372 JVNXRONSSKAKGD-PJSCYMKBSA-N 572.947 9.442 50 10 KKGE in-vitro COc1cc([C@@H](Br)c2cc(Br)sc2Br)c(OC)cc1Br 234977707 NKPIYMPRXAQNBO-GFCCVEGCSA-N 549.904 6.537 50 10 KKGE C=CCc1cccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1O 254302689 MATUNPAYUGCVEF-FQEVSTJZSA-N 652.562 5.857 50 10 KKGE O=C(NN=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 254487306 BBEGJQILSACOCF-UHFFFAOYSA-N 518.620 7.389 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 254867889 LDZNHURTXGSWKK-UHFFFAOYSA-N 515.702 6.335 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 606509325 YYGPOUVOBLNWHS-GQGHJKDTSA-N 629.175 12.649 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591398 YXADDVIQROVGOJ-JFCAZQBUSA-N 630.892 6.196 50 10 KKGE CC(C)(C)N(CCCBr)C(=O)c1cc(I)ccc1Br 691004148 QBXICOXGJFUSOD-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc(OC)c1OC 725274015 WGXVDSJSGKUHDK-UHFFFAOYSA-N 510.377 5.998 50 10 KKGE CSc1sc(SC)c(C=NNC(=O)c2cccc(Br)c2)c1C=NNC(=O)c1cccc(Br)c1 725274287 NOKGMOCHDUZFFF-UHFFFAOYSA-N 626.421 6.245 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 1084029248 CJKGTSLZTBUJDV-UHFFFAOYSA-N 532.778 5.671 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084078501 BEKWLALQYVXHOI-ZDUSSCGKSA-N 519.297 5.520 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1c2ccccc2cc2ccccc12 1084096919 KVKRTIDDPPDLKU-UHFFFAOYSA-N 512.201 6.047 50 10 KKGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084293292 MTOHWMOFVLCOCO-UHFFFAOYSA-N 581.016 5.361 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084297444 VRRAMCINTPBDCM-UHFFFAOYSA-N 557.481 6.063 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084535442 RGTHVSHCFWNXOS-KGENOOAVSA-N 537.403 5.736 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2cccc(C(F)(F)F)c2)cc1 1084620078 LHENTMDHFOBFCL-UHFFFAOYSA-N 596.675 6.384 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653479 VCKZORUJWHRCID-UKNHIXCCSA-N 550.511 6.914 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614969968 NRXQWNVMHCGUNH-FZKNQQEUSA-N 520.870 5.258 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744620 FXEJMNYYMCVZDE-UHFFFAOYSA-N 517.383 5.621 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(C(F)(F)F)ccc5Cl)c(C)c43)coc2c1 1772752145 VVMMWVAGPUWIPZ-UHFFFAOYSA-N 571.983 7.275 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689265 OENXXGOJBYPXHF-QHCPKHFHSA-N 575.419 5.251 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865692542 HABQPBARRHHIGT-IBGZPJMESA-N 518.923 5.619 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1O 1865696264 LIZQLPAGDUOVED-XMMPIXPASA-N 557.448 5.910 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696881 SVUNHGAMDFVIEY-QFIPXVFZSA-N 545.393 5.243 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865696899 TWTPJWRNBCPYSU-MUUNZHRXSA-N 514.670 6.378 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OC(C)C 1865697550 WHPHIKRDWYMHBY-IBGZPJMESA-N 504.896 5.558 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703172 OYFSZSDUFVSUNV-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704019 KYRDJGYYZSAMRR-SANMLTNESA-N 565.888 7.251 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706404 VWSRODKJVQCAAC-HHHXNRCGSA-N 541.051 6.261 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc(OC)c1O 1865714132 DISBUZQWRMTOJC-HSZRJFAPSA-N 532.959 5.332 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)c2ccccc2)cc1 1866931742 PIPOCRLFOGMPGF-WJOKGBTCSA-N 558.663 6.609 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868301547 SBTJWGUSPHZXGL-UHFFFAOYSA-N 544.684 7.349 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1 1868365894 XXKDBGSKMMWWJH-YTTGMZPUSA-N 541.680 7.621 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 1873920530 HXDWBMBMVWDCNP-JPDJOPTESA-N 505.821 6.803 50 10 KKGE CC(C)(SC[C@H]1C[C@@H]1Br)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893196242 OBHMHTYKPMFPLW-PUCZYUMASA-N 504.446 5.274 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915754181 SFSLIOZBJKRNPH-UHFFFAOYSA-N 506.609 5.761 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CBr)cc1Br 1915770613 DOSTXLISONQWCI-UHFFFAOYSA-N 554.142 5.884 50 10 KKGE Cc1nsc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924568795 LRRDCZJNPNOHMR-LURJTMIESA-N 545.341 6.891 50 10 KKGE COc1ccc(CC[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924599647 KJAOOZCQVORZFV-SNVBAGLBSA-N 547.932 7.113 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cc(I)ccc1Br 1925583337 CHIVUNWHJJDKED-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)cc1Br 2007644549 PQCGAEWRVWQQPL-LLVKDONJSA-N 504.867 6.223 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)sc1Br 2013202211 JURSLWSERCNLKK-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE CC(C)(C)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025779732 KVOHTBSVPXBBKB-QMMMGPOBSA-N 556.756 7.609 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2nn(C)c(Cl)c2Br)c1Br 2048155005 HFKYPHXLZAESTA-YFKPBYRVSA-N 542.316 6.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCOC2)c1Br 2085494612 MVHFFXUSFCZSQZ-LHLIQPBNSA-N 570.739 6.599 50 10 KKGE CC1(F)CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085495359 QHVNYCAZIZIJOB-RVUVVNSJSA-N 528.279 7.155 50 10 KKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2Br)ccc1I 2086021785 BLNWIFYGLLHPJH-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 2141469177 SHQYFAOPZQJDCW-KFRUTSSUSA-N 582.750 6.740 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1I 2212992927 TZDXDRDYKMVUNR-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Br 2267751491 ZOOFACIXVZOLJL-QMMMGPOBSA-N 532.281 7.810 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2268270926 WDXAAQSMQHWXQK-CQSZACIVSA-N 534.844 7.106 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1csc(I)c1 2277900145 FWKFALQIUMJOKJ-GFCCVEGCSA-N 536.454 6.570 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2279036783 KTKODDYSXGVHOL-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2283575300 UZELWPULSPGIOT-JTQLQIEISA-N 515.947 7.116 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1I 2288490571 IIBCKIFEFAYUAI-GFCCVEGCSA-N 601.248 7.185 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 2296001946 JIXMRXUJMGLENG-QFIPXVFZSA-N 596.845 7.731 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2296507080 SMTDFPJMAXQKNO-HHHXNRCGSA-N 511.647 5.043 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12 2313510879 BARSSMZEXFBKGF-UHFFFAOYSA-N 541.445 7.352 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 2313521504 SONBCVDNYARQGP-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(Cl)cc3Cl)nc12 2314532476 JJEQKEGSCKVDST-UHFFFAOYSA-N 525.779 6.301 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592989 FMKDDCDHMMVUGS-AFMDSPMNSA-N 550.511 6.914 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593552 OXTKWWNCSOCQHL-MUUNZHRXSA-N 509.675 6.115 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314618076 GSMBSGBCZNJZEV-UHFFFAOYSA-N 580.644 6.812 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314620380 ORQITVFAHUJRNS-UHFFFAOYSA-N 507.373 6.097 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634528 FLMJMWFGBFXODY-LJAQVGFWSA-N 531.008 6.364 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3c(Cl)cccc3Cl)nc2c1 2331046515 KNHXNTNWXFXJQZ-UHFFFAOYSA-N 536.371 6.081 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1 2331273310 BHVNLKMDIVFNFN-UHFFFAOYSA-N 513.962 6.223 50 10 KKGE Cc1ccc(COc2ccc(C=C(C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2)cc1 2331464409 LIEJWEMZYVUWLC-UHFFFAOYSA-N 500.623 8.554 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccccc1C 2331469992 VGZAFYWVLBTFBL-UHFFFAOYSA-N 510.659 7.786 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c2ccccc12 2331489375 WLBGTWXVMKHRJF-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Br 2336048399 UFKQFQHOOKZEJR-FQEVSTJZSA-N 547.031 7.553 50 10 KKGE O=[N+]([O-])c1sc(CBr)cc1Oc1cc(Br)cc(I)c1 2338885937 XJWNIRYXRLQAML-UHFFFAOYSA-N 518.952 5.711 50 10 KKGE Cc1cc(Br)c(CBr)c(OCc2cc(Br)cc(Br)c2)c1 2362207842 ABSQOWSKKGMMIO-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362254728 NCTLMKFTPSTYCZ-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)s1 2364072884 YDWDVOZPWANDRS-SECBINFHSA-N 507.473 5.634 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 2365598460 QPFIZIVIAOBEGR-JTQLQIEISA-N 545.256 8.043 50 10 KKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2381319276 JOAYDWBJGAAMDO-OAQYLSRUSA-N 510.291 7.751 50 10 KKGE COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)NNC(=O)c3ccc(C)cc3)c2C#N)cc1OC 857445 VGDDIUUKAJDDOL-UHFFFAOYSA-N 538.629 5.166 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)c(=O)n(-c2ccccc2)n1C 29491599 ZSLWATAIKLMABE-RRAHZORUSA-N 624.676 6.601 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 38608043 PIHYAZIHNAWPQO-OVVQPSECSA-N 522.674 6.576 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38650761 DWPOLLDUALTHCA-RUZDIDTESA-N 519.395 6.065 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651705 HQLDRHKHVSODTH-LFVRLGFBSA-N 509.331 5.179 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)CC1 38700536 ZAMJDMRMHRYZJB-KRGKPIPQSA-N 518.654 6.604 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccccc1Cl 40846209 FGJRQPALJYPWMX-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccccc1 40911078 OXLINLNGSCMNNG-MUFRIFMGSA-N 525.443 5.863 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 59166069 PAPNXDNNAJVRAL-CCFHIKDMSA-N 512.566 5.089 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 59528058 ZAVCPEPULSNMKX-WGHBEHPSSA-N 531.943 5.694 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)C(c1ccccc1)c1ccccc1 89426937 VFPOUPGISLTAHZ-PLRJNAJWSA-N 504.590 5.815 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)C 100186559 YLWRITGBGZDYOO-UHFFFAOYSA-N 550.519 5.246 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCC(C)C 100208626 CCEKCXCXWUUGNE-UHFFFAOYSA-N 593.110 5.157 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 100236465 CNLWFHSPHUMHBT-UMFTVLFGSA-N 540.252 5.139 50 10 KKGE O=C(c1ccc(Br)s1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 101089456 LFBOSDQDCSBMQF-DNTJNYDQSA-N 556.217 6.065 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@@H](CC)C2 101193875 UCXXKJADKAKTAL-SOGDLCAJSA-N 533.606 6.462 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCCC(C)C 101368386 FNSDFCCYTBIVJC-HKBQPEDESA-N 542.632 5.940 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101374821 VHRFGFXSKYGSBP-NDEPHWFRSA-N 578.021 6.653 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384453 RXSLHACPXCLQLI-YTTGMZPUSA-N 550.586 6.170 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 101391897 KBJHZNDKQXUQNL-QHCPKHFHSA-N 540.359 6.128 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101395279 CKJGKWOQAJDTMN-MUUNZHRXSA-N 542.563 6.505 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccccc12 101398500 FOHNCLGBQNVNGU-PMERELPUSA-N 563.009 7.411 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2cc1C 101398661 SZMIZAQBODWFMR-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101733217 JAYWBCJGFPFNBH-ZEUUYMJNSA-N 532.553 5.855 50 10 KKGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 101761648 FUQOTOBBOJFNGN-CPNJWEJPSA-N 579.875 5.162 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 101768453 MBDWTTKQCGTUHT-WMMCOQJOSA-N 539.470 6.252 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(I)c1OCCOc1ccc(Cl)cc1 102466575 GKQZWWQAKMTJIU-BOPFTXTBSA-N 578.790 5.227 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 150411133 XVGWTYSVFXKGIV-DXMZMKEOSA-N 714.775 6.183 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150473701 DXOIYMKZKJZCTB-HXUWFJFHSA-N 628.723 7.945 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150484195 KYHAHEFRWDKGQN-VWLOTQADSA-N 741.238 9.397 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 202749499 MYWCSMGAHXNSPA-ZTFZWQTPSA-N 613.864 5.293 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 206399009 SCJHINFPZQZKRW-IMRQLAEWSA-N 518.569 5.570 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@@H](C)CCC3)cc1OC 206694643 CMMJIQUQSZDESU-JIVYGXRASA-N 524.683 6.878 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc2)cc1 254745607 XWIUJBYMXAQKIJ-UHFFFAOYSA-N 547.640 5.704 50 10 KKGE COc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c([N+](=O)[O-])c1 256022811 IAUZPMBKFZFPFE-AFAVFJNCSA-N 555.061 5.228 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306147091 STDWDYDOHOANPV-QBQYQCRNSA-N 950.167 7.570 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@@H](Br)C23CCCC3)c(I)c1 311435365 SRWBUQOVXSFVRV-NEPJUHHUSA-N 567.430 6.024 50 10 KKGE Fc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1F 721572535 LZZCFLLPJYHWTB-JTQLQIEISA-N 501.934 6.011 50 10 KKGE O=[N+]([O-])c1cc(Br)cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 725444170 OCIXEGBWCIVANV-QAPCUYQASA-N 501.162 5.008 50 10 KKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)NN=Cc5cc([N+](=O)[O-])cc(Br)c5O)(C4)C2)C3)cc1 1081167882 GZBXUDMWUUWJJQ-IMWZJCIKSA-N 527.419 5.295 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 1083870314 IUNFPLVAKVJCON-CJLVFECKSA-N 536.857 5.937 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccccc1 1083916935 IAZCAKYUSAMPAA-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 1083940530 JLUDZBPJIJSMCY-LICLKQGHSA-N 532.221 6.889 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084105900 DAIXDTACQJSZDX-AHPZMPFVSA-N 511.647 5.932 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1084354955 FKGZIAKAHAXKMF-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084405855 XLJHRBFCSJPCNP-DEOSSOPVSA-N 531.436 5.944 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084419750 YSAOIBAILJWJII-LFVJCYFKSA-N 590.474 5.381 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc2ccccc2c1 1084562679 OJXKIOGFHKRWJR-UHFFFAOYSA-N 543.417 7.090 50 10 KKGE Cc1cc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)ccc1I 1084577614 TVMBVAPPWZOYOO-UHFFFAOYSA-N 612.515 7.537 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1 1084641202 STZIPJJSWSUCMI-XMMPIXPASA-N 702.302 5.977 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747152 FLXWPZCFZUJUAS-UHFFFAOYSA-N 517.925 5.992 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](OP(OCCC#N)C(N(C)C)N(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1857790448 BWDOVLKYUXQDFC-VPXQSUEESA-N 971.182 8.474 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687969 FDLNGQOTCZLWDJ-HXUWFJFHSA-N 529.822 5.563 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865695213 MXLWQXVKVHYMQU-SANMLTNESA-N 502.615 5.629 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702547 WRKQDQOHWNAXJH-VWLOTQADSA-N 559.439 6.344 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709706 ZVXFCQZMGNUHJG-MUUNZHRXSA-N 578.113 5.732 50 10 KKGE C[C@@H](Cl)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865893229 XWVRXMWQARJDEI-MWLCHTKSSA-N 508.616 5.251 50 10 KKGE Cc1ccc(C(=O)CCC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867091223 KBXWJGQGOOCGTC-AREMUKBSSA-N 531.703 5.896 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CC2)cc1C 1868300283 AOEGGVOGMOPNLP-UHFFFAOYSA-N 549.700 7.185 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C1 1868320331 HSKOTNQNHDXFCG-NRFANRHFSA-N 507.663 7.498 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)CC2 1868414392 LUPGXAWFFIJUPR-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Br)c1 1872747978 BEBRMNKQLJSXPZ-UZYVYHOESA-N 503.849 7.440 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873793323 IVMQWAFRWQVJSD-AKLYFZKISA-N 508.018 5.505 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873793660 VNGTXWNLGINRID-AKLYFZKISA-N 508.018 5.505 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)c(Br)s1 1925570312 DVZODPNBTCFFNY-YFKPBYRVSA-N 564.771 7.888 50 10 KKGE Clc1sc([C@H](Br)Cc2ccccc2I)cc1Br 1940445167 JUAFBMARPUZAPD-MRVPVSSYSA-N 506.428 6.447 50 10 KKGE Cc1ccc(CBr)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2009621691 JBXSTQGRFAIVCT-UHFFFAOYSA-N 501.490 5.213 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)sc1Br 2026221085 IVYIZCYYNIOJQP-LLVKDONJSA-N 550.879 6.670 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012774 RPSDMMBNHUZTKP-NRZQDWNFSA-N 602.536 9.320 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)c(Cl)cc1Cl)Cc1ccccc1 2034749725 GTWZNLUAMVHDET-UHFFFAOYSA-N 511.902 6.055 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c(F)c1Cl 2081843027 BTTRKMLYFIIYOA-INIZCTEOSA-N 508.609 7.506 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2I)c(Br)c1 2083332979 DTHDUUCRNPCVTD-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE O=C(Nc1c(Br)cc(Br)cc1Br)[C@H](Br)C1CCCC1 2110720455 CWYVINBHWWQAMI-LLVKDONJSA-N 518.869 5.866 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1Cl 2136957291 BSPRARHJTGDZGE-SFHVURJKSA-N 502.580 7.444 50 10 KKGE C[C@H](CC(C)(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470508 HTYUVXQKSBZTNP-HQJQHLMTSA-N 584.810 8.245 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cccc(F)c2I)cc1Br 2198741193 ZHDUMSGCKAUYOE-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE O=C1Cc2cc([C@H](Br)c3ccc(Br)cc3I)ccc2N1 2207271474 IPJYOAPUGOTWRS-HNNXBMFYSA-N 506.963 5.033 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2csc(I)c2)s1 2217983301 LJVMBFOBGPHQQK-NSHDSACASA-N 522.065 6.198 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(F)c2I)c1C 2218792036 GIRVFIQQYJULDS-JTQLQIEISA-N 504.000 6.355 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)s1 2224803458 HEZDWUJBHWWCHB-SECBINFHSA-N 553.961 7.118 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225634271 OCGHFWABQXDUPS-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)c(Br)cc2F)c1 2232221739 CKEMVFCZWCUQFU-CQSZACIVSA-N 518.389 6.592 50 10 KKGE CC1(C)[C@@H](OCc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234056626 JABNSXIBWFCVJN-OALUTQOASA-N 512.673 6.857 50 10 KKGE COc1ccc([C@@H](Br)c2cc(C)sc2Br)cc1I 2257352448 CZTOAEVGICLCHS-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Cc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2288348862 JMWAJDAERTVLSG-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(C=CC(=O)OCCc2ccc(O)cc2)cc1O[Si](C)(C)C(C)(C)C 2294821867 IHXCBZSTFATTBK-UHFFFAOYSA-N 528.838 7.959 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)c(OC)c1 2294904932 KZYWZVQCXFBPGG-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2cccc(Cl)c2Cl)c1 2295672691 SDRSXRBZBMKYJT-UHFFFAOYSA-N 531.417 6.365 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296001933 FDZIQSNIVORCHG-AREMUKBSSA-N 510.018 6.558 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 2296720873 KZEPPGUGHCBJCZ-UHFFFAOYSA-N 500.942 5.393 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 2296834500 ZGOSOKSXNUFIOM-HSZRJFAPSA-N 566.466 6.235 50 10 KKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1OC 2297461688 DFNVBGVDCKLUEB-UHFFFAOYSA-N 525.637 5.061 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 2297504855 BSMLWKFBNMAXHE-HHHXNRCGSA-N 500.429 6.655 50 10 KKGE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 2297511175 GZTZUYPXTKSFBZ-UHFFFAOYSA-N 533.609 6.637 50 10 KKGE Cc1c(C(=O)N(C)C)sc(NC(=O)C(C#N)=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)c1C#N 2297616699 AGEAIBIHGBNUCN-UHFFFAOYSA-N 518.982 5.048 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C 2297616730 JLXHPTFEWYXLTP-UHFFFAOYSA-N 522.008 5.687 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1 2313521489 RSMUCTBVKCLVGE-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313567779 KPUNJMPYTLMJQJ-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593725 RZJIVQDZKBIWNM-SSEXGKCCSA-N 537.729 6.895 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314616920 MXFWYRUMBMQWSO-UHFFFAOYSA-N 616.718 6.570 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C(C)=C(C#N)C2=O)cc1 2314617153 RTSGVLKGTQEEAX-UHFFFAOYSA-N 532.575 5.788 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314619929 HFGULQFRHPDJGT-UHFFFAOYSA-N 621.093 6.317 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314620946 WSDGWKOQEGLNQU-UHFFFAOYSA-N 634.736 7.270 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2316709823 PLOCCEYQJKTUBU-BYPYZUCNSA-N 518.283 6.404 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1OCCC 2331293378 CQCXWPGJTOEELT-UHFFFAOYSA-N 519.450 7.653 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 2331402672 DSYPVHJIUKCMEN-KRWDZBQOSA-N 503.580 5.068 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2331468374 DTXHKQOVHUWXIY-UHFFFAOYSA-N 511.485 7.668 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1csc(Br)c1Br 2335287119 ZVPUSCQJHMPNSW-SSDOTTSWSA-N 576.732 7.966 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1 2338723524 YATUDONFGQRUBU-SECBINFHSA-N 517.841 5.201 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)Cc1ccccc1I 2360502746 VIFNOZNQZREQAV-MRVPVSSYSA-N 552.834 7.178 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2364051182 NCSOYJXTECEALR-ZETCQYMHSA-N 541.785 5.609 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2scc(Br)c2Cl)c1Br 2365233025 SFFDLGZQONXUDA-NSHDSACASA-N 523.899 7.334 50 10 KKGE Clc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)c(I)c1 2366711388 INSUHPJTCCEDIM-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE BrC[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCC2 2377311992 ATVKNYYZBFVNGP-CYBMUJFWSA-N 513.055 5.441 50 10 KKGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1cccc(OCCc2ccccc2)c1 10334089 IYRJNBUNHGWUNP-UHFFFAOYSA-N 510.040 5.126 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1/C=C1/CCCC2=C1OC(N)=C(C#N)[C@@H]2c1c(C)nn(-c2ccccc2)c1C 33249025 XSDNJIUICARRNJ-RFLRCKRKSA-N 528.660 6.621 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1ccccc1 33686974 GKRPVLKFXXYFJK-JFPYRBRCSA-N 515.367 5.034 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OC 38659012 VDRHKIMUWPEYLW-SANMLTNESA-N 500.551 5.320 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCC(C)C 38684191 JLDVXSSBSRWMJC-SANMLTNESA-N 515.522 5.076 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 38686581 RLEHWDDJZGMGHI-PMERELPUSA-N 518.569 6.102 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc(Cl)c2)CCC3)c(Br)c1 40813372 MZOMLFLCVIHNDF-TURZUDJPSA-N 514.807 6.035 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 100103741 TVNYITMRDVDWOG-FDAWAROLSA-N 542.433 6.353 50 10 KKGE CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100195989 FQVQLGOZCMUWCB-UHFFFAOYSA-N 597.535 5.347 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100213593 JSNHNZNNUTZFSG-NRFANRHFSA-N 562.258 5.262 50 10 KKGE COC(=O)c1ccc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 100869322 LJHFQUKNSWISNX-JEBQAFNWSA-N 539.058 5.064 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 101021992 RTNBLBCWVLZNBA-XMHGGMMESA-N 536.531 7.416 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034293 CJXGRVVJQSULLN-HYARGMPZSA-N 600.612 7.060 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101307163 YTBAXKTZPPHCDJ-MUUNZHRXSA-N 532.980 5.424 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101339946 ALVXLTQTIYVYBV-RDRPBHBLSA-N 560.679 6.452 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 101360610 QJIHWPLQDRGESV-RUZDIDTESA-N 537.443 7.127 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OCC 101373894 MHSKEMQYRZDOLA-YTCNQMHGSA-N 545.035 6.755 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379208 HWKNTEAFBLXRRU-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381352 NTKHXKIIGKKMMK-PPGPUPIYSA-N 629.540 8.287 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384673 PSPHAVRJUUFPLU-IZAYSLALSA-N 603.889 8.063 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(F)cc1 101386991 LIHBFCDLOIOHRS-SSEXGKCCSA-N 552.558 5.859 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388461 NFPNUDDWADSWRQ-XIFFEERXSA-N 597.067 6.829 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101395013 DFLMJAAYQRPEDY-VWLOTQADSA-N 565.478 7.824 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1F 103876696 NLTIFHNALMNNTP-FJEPWZHXSA-N 537.385 6.414 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2cc(Br)ccc2o1 103878637 CBHBPPQPEQWTJP-KKMKTNMSSA-N 607.096 7.063 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1 105660895 GIQUBXMCJSJSII-LSHDLFTRSA-N 534.046 5.022 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 105911291 XAGXHEIJFCMLJB-RGEXLXHISA-N 547.614 5.045 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 199695415 FFXHNCNNHASXCT-DYLLNIDLSA-N 988.212 11.054 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(I)c1 236244454 ULCYAJOUCCJCDS-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE CCCc1ccc(-c2cc(C(=O)NN=Cc3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)cc1 252598938 DEXCHGGSHQNSDD-UHFFFAOYSA-N 552.675 5.338 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nnc2-c2ccccc2)cc1 254395469 ROLPKXPMRVYBRB-UHFFFAOYSA-N 549.656 5.764 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 263632097 BXDDFPPSGAVGEB-UHFFFAOYSA-N 566.614 5.014 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2I)C1 382726739 QUAYKKUQKHAXLJ-ZWNOBZJWSA-N 547.602 5.330 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232443 QYWAENWZQGVWKH-UWBUJYNISA-N 691.460 7.202 50 10 KKGE in-vitro CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616588750 MHNHIGWCUNOEFZ-UPYFENACSA-N 578.822 7.136 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1scc(Br)c1Br)OCCO2 707840351 ZPIZTRAUNFPJSG-NSHDSACASA-N 547.888 6.291 50 10 KKGE CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237792 NBFCCTDVSXGMGU-QHCPKHFHSA-N 582.044 6.743 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 725420890 BQHSRSSLZHFPTH-DEOSSOPVSA-N 514.981 5.429 50 10 KKGE O=C(NN=Cc1cccn1-c1ccc(Br)cc1)c1cc(Br)cc(Br)c1O 1083959543 BQUDMONPUQTZCC-UHFFFAOYSA-N 542.025 5.234 50 10 KKGE CCOc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1083962203 DSNQRZYZHDBDBL-UHFFFAOYSA-N 510.250 5.274 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1083973856 INTMBJBKCOKBGQ-UHFFFAOYSA-N 605.772 5.606 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 1084041513 YKLHOKALPZWDOK-UHFFFAOYSA-N 661.369 8.460 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1084060525 AMONMMVLGSHLKR-UHFFFAOYSA-N 636.479 6.937 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1 1084106355 XLCPYIVUILUEKH-GOSISDBHSA-N 518.908 6.758 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccc(Cl)c1Cl 1084117708 VPSNBCDPADNELO-UHFFFAOYSA-N 531.031 6.201 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1F 1084227484 VQOVWHLFFUCRKD-UHFFFAOYSA-N 547.630 7.333 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 1084259729 MNSCXDHZUGVSRQ-UHFFFAOYSA-N 602.710 7.683 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1 1084272488 LPKVOYVVBQWRKD-UHFFFAOYSA-N 615.265 6.871 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 1084450886 JFTREESKJKPNFH-MHZLTWQESA-N 546.620 5.064 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084464941 ARCIRRUJPUDGRS-FQEVSTJZSA-N 565.455 6.194 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccc(Cl)cc3)c2C)c1 1084502022 BHDOXNHJCINQKP-UHFFFAOYSA-N 504.881 6.369 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 1084568781 NMRRTKUTNAGSGO-VFCFBJKWSA-N 551.643 5.347 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 1084582722 DOZIZACZWSORON-WOJGMQOQSA-N 590.699 7.388 50 10 KKGE Cc1ccccc1COc1cccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c1 1772754884 BRCBKSRCCTUINB-UHFFFAOYSA-N 508.068 6.593 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686773 AGCVARVSINKAJZ-NDEPHWFRSA-N 524.596 5.829 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689363 QKONHEUHNXZLFP-QFIPXVFZSA-N 579.838 5.896 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc(Cl)ccc1O 1865689381 QYQLOJAZCZDLQR-QFIPXVFZSA-N 507.352 5.968 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865694650 YNCDSPRRZNMOTE-GDLZYMKVSA-N 520.633 5.998 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865695117 KIWKYFQHGJBPJT-VWLOTQADSA-N 564.539 6.204 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1O 1865695238 AKALMVDNNUXKCT-NRFANRHFSA-N 549.812 5.888 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698459 UJTUNGUFXHRDBY-HXUWFJFHSA-N 509.404 5.346 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865702314 SGHCLVOAGPZYIM-INIZCTEOSA-N 562.148 6.377 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703473 WMPSGRWKXUBNND-LJAQVGFWSA-N 575.496 7.051 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712928 MEXGKFKHDCJFAC-INIZCTEOSA-N 510.259 5.383 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713170 SQYGYUMJZJCQOP-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 1866215157 FCFKQMDQQIHNOR-XMHGGMMESA-N 555.450 5.844 50 10 KKGE CC[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128842 UKJFYRPEQLVRGZ-CLOONOSVSA-N 584.511 6.420 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)n2)cc1 1868321294 YPDZCPLWZYBEJV-UHFFFAOYSA-N 555.729 6.459 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)n2)c1 1868506071 PYDILIAUHMOMQD-SANMLTNESA-N 526.597 5.286 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 1872747705 QVBWQQCLHDXMFC-BZZOAKBMSA-N 511.534 6.098 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 1872754628 BOLFHYMDUCYJII-GICLCMKGSA-N 519.848 7.112 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(CC)Cc4ccccc4)cc3)n2)c(OCC)c1 1872793971 CVLLZAGYBQFQAL-XIEYBQDHSA-N 509.675 7.698 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922892996 UUHTYIZDSJQRMU-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2)c1Br 1922942173 QODLXAMBAQYVIG-SNVBAGLBSA-N 503.879 6.828 50 10 KKGE Cl[C@@H](c1ncsc1Br)c1c(Br)sc(Br)c1Br 1924613626 SLWKCZMDOUHHQC-SCSAIBSYSA-N 531.314 6.583 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CCC3)c1Br 1924616447 OSYHAJJGEGBTJX-YKHWKNEFSA-N 535.965 7.832 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 1950319106 CWTOGIITQMNMGU-LJQANCHMSA-N 531.107 7.645 50 10 KKGE CC[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780298 QMLOOILRNQDJTJ-JPOPXJHUSA-N 510.289 7.063 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)s1 2026221654 NGYZUUQNEQOPLC-LLVKDONJSA-N 550.879 6.670 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(C)cc1 2053623217 MHPKELXSQDOBQI-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE CC1(C)c2cccc([C@H](N[S@@](=O)C(C)(C)C)C34CC5CC(CC(C5)C3)C4)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080761224 DDAVVJQEEHFBRU-SFRUDECLSA-N 661.892 9.186 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OP(OCCCN)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2086856804 OIEVJBGSILTCHM-RFMFGJHUSA-N 992.244 10.489 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(I)ccc1Br 2104781686 JOYTUYSUXYYRRO-LBPRGKRZSA-N 534.844 7.039 50 10 KKGE O=S(=O)(c1ccc(CBr)cc1Br)N(CCC(F)(F)F)Cc1ccccc1 2123272141 XGLHYKSTTCWMOV-UHFFFAOYSA-N 515.189 5.487 50 10 KKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1Br 2136381295 ZHZKRWDGBMALNT-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(F)c1I 2137654173 BISVCNIYWKBSRB-CYBMUJFWSA-N 518.389 6.639 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)n1 2141471407 RCZYJXCIVCLKQL-QMMMGPOBSA-N 645.607 6.717 50 10 KKGE CCc1nc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2201622115 RMTYMPUXKRVRBC-QMMMGPOBSA-N 510.423 6.646 50 10 KKGE CC1(C)CCC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206394947 KTLDHBMIQCOUNS-GFCCVEGCSA-N 596.821 8.389 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCC23CCC3)c1Br 2206397000 DACCPDYDLIXKHQ-UFBFGSQYSA-N 594.805 8.143 50 10 KKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2207350974 HDQLNLMRKFGTCT-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1csc(Br)c1Br 2213646008 WNPNOZIOPDMYPT-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE CC1(C)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 2219698868 GAINOACVPSOXGL-POYBYMJQSA-N 525.926 6.819 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2sccc2I)c(C)c1Br 2220152618 HIKKMUAFXUTNPM-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)c(C)c1Cl 2232525901 FKWYGNBJCANDPE-CQSZACIVSA-N 501.871 7.620 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCCCN1Cc1ccccc1 2234075381 PZKSRHYYPULFHO-INIZCTEOSA-N 511.689 6.355 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(C)ccc1I 2240998497 ZSBXWRLQJOSSKR-CQSZACIVSA-N 530.425 6.508 50 10 KKGE CC1(C)[C@H]2CO[C@@]1([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2289305868 MFIRBZGXXPQIJQ-JPLJRGCISA-N 596.777 6.988 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506753 CQBJGBBFDILHSD-JOCHJYFZSA-N 563.293 7.365 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C 2296506978 NZWXAQUAJLXSGM-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2297321110 URXUKDDXABJLJS-UHFFFAOYSA-N 547.442 6.241 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(N(CC)CC)cc1 2297459367 VWGXIWRYGKQVIA-UHFFFAOYSA-N 508.043 6.637 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OC)c1C 2297466707 LJODIDQHZMEZSJ-UHFFFAOYSA-N 503.605 6.273 50 10 KKGE FC1(F)CC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2299032615 LCEKYRAAZSTTDT-UHNVWZDZSA-N 517.853 6.907 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521371 JLGKXKWEAMOVFP-UHFFFAOYSA-N 603.800 6.376 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592521 WIROMEYWFUHHOA-GDLZYMKVSA-N 523.702 7.307 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592567 XTMAFSXVLBAHPC-RUZDIDTESA-N 502.039 6.276 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592991 FMKDDCDHMMVUGS-NIYFSFCBSA-N 550.511 6.914 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314616692 HLIZQEVSWHEAAF-UHFFFAOYSA-N 540.623 6.205 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616704 HVRJLZWZHBTWHP-UHFFFAOYSA-N 570.617 5.656 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314617262 UYJZARFJYFOAAX-UHFFFAOYSA-N 556.666 6.819 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314618134 HTKNHDSYQUCALV-UHFFFAOYSA-N 538.648 5.593 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 2314634466 VPABGWWBBMMCRV-SSEXGKCCSA-N 555.417 7.623 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634612 OZMCZTDBUCNPPC-SSEXGKCCSA-N 510.590 6.101 50 10 KKGE COCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)s1 2319408850 ODQQRTBCGCTCNS-QMMMGPOBSA-N 539.934 6.728 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1 2331345701 SKFAUFMNUVHKRV-UHFFFAOYSA-N 513.490 8.972 50 10 KKGE ClCc1ccc(Br)cc1OCc1ccc(I)c(Br)c1 2349805662 HJCJPMVJXCWCPB-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361193938 DMDBRVBRHIOESQ-HXUWFJFHSA-N 500.152 7.531 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nn(C)c(Cl)c1Br 2365190731 HTZBEYWOZZCPLG-MRVPVSSYSA-N 554.277 6.293 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)sc2C)c1Br 2365233798 GZCMJMQGKFKNEC-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE Clc1cc(Br)c(CC(CBr)(CBr)c2ccc(Br)cc2)s1 2372287341 GVQLPSQBFMGMCR-UHFFFAOYSA-N 566.378 7.197 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(SC(F)F)cc1 3248951 GXYRJPJTFPFDHK-RGEXLXHISA-N 512.541 7.146 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCCC(C)C 38684340 XNAGEDXGWUVFMZ-MUUNZHRXSA-N 516.569 6.087 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCCC(C)C 38684343 XAZFOFUJSCHEAH-PMERELPUSA-N 528.605 5.713 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1C 39858533 NHFCYCIDLWXORC-JXAWBTAJSA-N 515.367 5.412 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 40951438 SJDFTUKHWGESKF-MTDXEUNCSA-N 519.480 6.243 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)cc1 58894903 FCNGVPRSYLCUGF-WUKQQSQZSA-N 525.045 5.989 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 100452051 ZSHRUPISCDWNIO-DHCNTSDESA-N 615.149 7.061 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 101245830 YERNDPZRLLALDK-KVILUOORSA-N 536.484 6.984 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 101364860 JWKHIJCAQQVODA-OAQYLSRUSA-N 516.178 6.193 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1 101367272 JIMHBNKLSPTYNY-GDLZYMKVSA-N 583.438 6.474 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101375070 VFKMQALHJLUEOL-WENCNXQZSA-N 560.622 6.240 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2c1 101390987 DYQSRMVNOHGSKO-WJOKGBTCSA-N 542.591 7.066 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 101397354 KGRTWJIEEGIIGD-GDLZYMKVSA-N 536.628 7.364 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H]5COc6ccccc6O5)ccc43)cc2)cc1 101397408 HGZDCIRPIIHVHY-IOWSJCHKSA-N 546.579 5.538 50 10 KKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 101652322 DJQQKYCOJMWPGV-LXENARQHSA-N 541.239 6.564 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 103742649 AVKGUZIRZNYDDY-IQQNDYETSA-N 512.393 6.197 50 10 KKGE COc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103747958 NSDIRBZFQXNNMC-CPDSRJINSA-N 525.439 6.037 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1 103792034 HKNYVLJBBMOPAZ-NLRVBDNBSA-N 562.739 7.758 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1F 103888297 SKSIPCDVCNNZOX-NDENLUEZSA-N 556.375 6.262 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccccc1OCc1cccc(Br)c1 104768847 OYUXIAGTIUJWHK-JFLMPSFJSA-N 585.505 6.569 50 10 KKGE COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1 150450676 VNMLOFSBESYSRE-ATZGPIRCSA-N 682.321 6.188 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462462 SWGKMUYNKKAYPF-HKBQPEDESA-N 671.931 8.182 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)N/N=C/c1cc(Br)c(O)c(Br)c1 164003421 AHZYHWPQXUZTKN-IHXWQEJPSA-N 782.166 7.649 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 164649714 BTUKIMVVJYJDBC-QXUDOOCXSA-N 656.480 7.308 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C 196951131 BUIVYZUATKNANR-LRLBWCGCSA-N 773.125 7.141 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=O)=C1C 201289966 NDFQGMFLXKIOOV-WLYPXDPXSA-N 562.879 11.052 50 10 KKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 206542956 JFNBCDQDFOJKDG-UQEONJGVSA-N 506.558 5.920 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1)C(=O)NCc1ccco1 206690590 UVZWZCWEKYXEED-GDXNOBHISA-N 504.542 5.701 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@H](C[C@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H]1O 215743653 OIGMHIMRSGHQEE-YZMUMAOPSA-N 926.263 6.456 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232342421 RJLHFYWNZWMSBE-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Clc1sc([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 236038197 MZHKBRUIZONYCN-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 236044259 IRMRWATXTSRFDU-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 254305409 QJARPHLCBBIRFE-UHFFFAOYSA-N 608.286 5.817 50 10 KKGE O=C(NN=Cc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 254418971 DMKVXXYGIWJTCF-UHFFFAOYSA-N 501.178 5.228 50 10 KKGE CCCCCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 254567838 ZEYOFHVBNKHVTB-NRFANRHFSA-N 539.470 6.515 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1I 300472640 QVLQZMUQDGCXDQ-JTQLQIEISA-N 550.879 6.670 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(I)cc2)c1Br 302593650 HFOKFCDZHUCUFP-SECBINFHSA-N 525.953 6.618 50 10 KKGE Clc1ccc(I)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 382692921 AKCYKRNFHXFGOC-YOEHRIQHSA-N 537.610 5.595 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 721585852 HONMPSQRJNYAST-NSHDSACASA-N 536.852 6.362 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CN5CCOCC5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725417630 OLVPVSQCKFOMBJ-PRMIEGHPSA-N 564.686 5.286 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 1084098260 OHTWHAAOFVSDBX-DEOSSOPVSA-N 545.419 5.633 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 1084232544 OQWCCGPQWZVGOJ-HKBQPEDESA-N 578.510 7.538 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084371118 FSLAGKSMWVRMPA-UHFFFAOYSA-N 547.508 5.494 50 10 KKGE CCC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1 1084443606 AXBIQWWWRYHCMR-UHFFFAOYSA-N 544.073 5.100 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 1084482581 JPPPEQZWJRMPNL-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE O=C(NN=Cc1cc2c(cc1Br)OCO2)c1ccc(CSc2ccc(Cl)cc2)cc1 1084504125 JYCFZXGUYZFWRD-UHFFFAOYSA-N 503.805 5.887 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2)cc1 1084582783 LZYUCGBSFJCLRB-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE O=C(NN(C(=O)c1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(Cl)c1 1088686716 LZGXZHHVCOIICI-UHFFFAOYSA-N 512.264 7.056 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\C=O)[C@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O)O1 1307286691 NKOQYQIQXGIMOO-YWPLRULISA-N 642.865 5.316 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1cc2ccccc2cc1O 1565517290 DNLLWVDFRFFLDF-PSXMRANNSA-N 666.738 7.272 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(I)cc3)o2)c([N+](=O)[O-])c1 1565517514 HSSIGDZZEMLZNP-UHFFFAOYSA-N 603.457 6.702 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccncc3)CCC4)ccc21 1772746096 QLTNDVTVUCEAEI-UHFFFAOYSA-N 505.578 5.834 50 10 KKGE CCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OCC 1772755936 VDZCWRHCJFRJQM-UHFFFAOYSA-N 505.453 5.853 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865687171 LAZPHWJEYIVQHM-XMMPIXPASA-N 566.967 6.409 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865687222 MFEXZQPBWQQVQY-MUUNZHRXSA-N 520.633 6.394 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688629 XIROJOVMESSFEZ-MHZLTWQESA-N 571.475 6.045 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccc(C)cc3)cc2)cc1 1865693298 NAFZLUNAQPFENE-SSEXGKCCSA-N 524.624 6.953 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OC(C)C 1865696529 GZTIJQZSUQGKHP-RUZDIDTESA-N 512.997 6.207 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696597 IGJFDLRUKZMLNV-SANMLTNESA-N 527.024 6.598 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865697703 ZUYDHMUOHQXMPE-XMMPIXPASA-N 575.438 6.125 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702953 JHQJOSCSBPODSH-YTTGMZPUSA-N 568.677 7.021 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865709336 UVXJRIZJNHCFQR-DEOSSOPVSA-N 527.422 6.091 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711838 IYPNISVYPYTGCC-JGCGQSQUSA-N 575.068 7.210 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868301554 SRKJAUDTHMUALS-UHFFFAOYSA-N 541.124 6.787 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H]1C 1868414057 HFIHXWTTYQKPTL-BGYRXZFFSA-N 523.106 6.049 50 10 KKGE COc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCc1ccc(Cl)c(Cl)c1 1872729110 OHWISGFKYKMPNV-CAOOACKPSA-N 513.333 6.325 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 1872793538 FLKXWHADXJWVQH-HYARGMPZSA-N 516.066 7.571 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 1873792903 RSVOGLZMMOEEKW-STBIYBPSSA-N 504.027 5.463 50 10 KKGE CC(C)(CI)COc1c(I)cc(Cl)cc1I 1904662355 ZGFAGSFDYWJUGX-UHFFFAOYSA-N 576.381 5.389 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CBr)cc1Br 1914341472 LBBUQENOOCBCMC-CYBMUJFWSA-N 540.115 5.494 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)cc1Br 1915302802 ZRRZQCJYODDJGU-GOSISDBHSA-N 568.169 6.130 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915774010 MHFVCAALLHPBCD-UHFFFAOYSA-N 510.089 6.089 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2sc(Br)cc2Br)c1 1922944879 AKISHVOKTHLPQW-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)cc(Br)c1 1923065773 HHTZBCUYSQWZQO-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924594423 NKMJMWDPPFDZSZ-VIFPVBQESA-N 558.742 7.780 50 10 KKGE Fc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(I)c1 1925583328 CDSOUHAHISFMSB-QMMMGPOBSA-N 544.836 7.045 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC23CCC(CC2)C3)c1Br 2039382016 VZLKVZIKBDDIQQ-DMWDQNTBSA-N 521.938 7.442 50 10 KKGE N#CC(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)=C1NC(c2ccc(F)cc2)=CS1 2040464521 QRQVEUWDFGQZEN-UHFFFAOYSA-N 517.636 5.866 50 10 KKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2056446621 HFEAMAVEYHIFKD-QXFUBDJGSA-N 523.954 7.544 50 10 KKGE Oc1c(Cn2nc(CBr)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079241410 NUWHOVBIRAYAHX-UHFFFAOYSA-N 529.016 5.174 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccccc2I)cc1Br 2137640058 MJZNHILNDVQLLQ-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC23CCCC3)c1Br 2141473121 LLIARKDGSIJINX-HQJQHLMTSA-N 580.778 7.753 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141475708 RAPTVIOBYWQYIE-SNVBAGLBSA-N 637.638 8.589 50 10 KKGE C[C@@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2159734017 LCINLXAYJWSYAP-LJQANCHMSA-N 514.884 7.114 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)cc1Br 2203829725 KSKGVVTZYLMKHD-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CCCC[C@@H]21 2206393792 BGCHDCXKEHZNNG-VATYZOEFSA-N 550.354 7.843 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCOCC2 2206393881 BZMFWIUOELLNTG-UHLUBPPHSA-N 552.326 6.833 50 10 KKGE Cc1ccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206398886 ZXSYVKMFIVXMAP-JTQLQIEISA-N 590.773 7.724 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399918 NBHXUAUBCCKJKF-LLVKDONJSA-N 676.060 8.637 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(I)c1 2218597641 OHQXLDMBYWLEJQ-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2229318576 WVNRMDQNDCZJFL-SECBINFHSA-N 528.318 8.026 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2232514756 WTBFMIOMKQWEPP-NSHDSACASA-N 528.801 7.481 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1ncc(Br)s1 2234061323 RPWKCKMXNAXFFC-UHFFFAOYSA-N 500.441 5.567 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)sc1Br 2242670388 FMHLAQHMGLCBLA-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(I)c1 2272722402 SMURXGLBOPOJAD-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1Cl 2283554335 ODIPFQFSZUWLKS-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1 2296506702 AYDOKPPTHJEHAW-XMMPIXPASA-N 566.466 6.235 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=Cc3ccc(OCC(N)=O)cc3)sc2NC(=O)c2ccc(Br)cc2)cc1 2296717892 FNKFUYJWUGOEHX-UHFFFAOYSA-N 573.472 6.062 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299529736 FPJXPWIMPIJKGX-SFHVURJKSA-N 531.107 7.645 50 10 KKGE Clc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314441769 BOAWCLIHWDFEKH-IBGZPJMESA-N 545.496 7.928 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@H]2CCCO2)cc1Cl 2314476757 VDUDBYDIAPQTCK-XMMPIXPASA-N 505.018 5.574 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592634 YZFQXDHHKBXBSX-XMMPIXPASA-N 536.484 6.929 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(I)ccc2Cl)C1 2327240210 LDAUJSQKBOKTEU-SFHVURJKSA-N 591.655 5.666 50 10 KKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311517 PQWMZIWBJSOXAW-OAQYLSRUSA-N 512.418 6.620 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2337088075 HRAJGIDBLQNCPO-SECBINFHSA-N 532.281 7.810 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Br)nc(C)n2C)c1Br 2337285428 NDASVIPPYSEOLU-LLVKDONJSA-N 515.869 5.809 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2340065352 VHEFJRGOFCPHDV-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(C)c1Br 2343562677 FWORWUVQNGISFA-NSHDSACASA-N 535.896 7.276 50 10 KKGE FC(F)(F)c1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361202004 XVBRGMFGCNEQKS-FQEVSTJZSA-N 500.152 7.531 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2)c1Br 2362235325 LFRMQMYWYOVCJR-SECBINFHSA-N 550.285 7.445 50 10 KKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(Br)cc1I 2365868529 RFGWYAPUTCGDHZ-ZDUSSCGKSA-N 517.043 5.229 50 10 KKGE C[C@@](CI)(OCc1cc(I)ccc1Cl)c1ccccc1 2380347170 SRCJGPZKUDBYJK-INIZCTEOSA-N 512.556 5.812 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14650691 XXZNTAMJGAMVOU-UHFFFAOYSA-N 504.208 5.021 50 10 KKGE CC(C)CN(CC(C)C)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-] 20075601 PVWWEVDFKFOFEJ-WCMJOSRZSA-N 527.625 5.332 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 20468133 ZOCYOQCMSSJFGU-DOVBXQBDSA-N 525.476 7.132 50 10 KKGE O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2ccc(Cl)cc2)c1N1CCN(c2cccc(Cl)c2)CC1 33353577 HBHDSARVVYNAHS-UHFFFAOYSA-N 501.201 5.890 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651776 OAEMBDMGRLNYQJ-RUZDIDTESA-N 505.368 5.214 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1OC 38658998 AXESFACHDCTRQJ-XRHLQHRESA-N 514.578 5.418 50 10 KKGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 40645911 UITXNUCPQXSNML-ZQHSETAFSA-N 513.474 5.138 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NN(c3ccccc3)c3ccccc3)c(C)c21 40813190 KXFXSZHVKCPTLO-QFMPWRQOSA-N 508.578 5.550 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 58891174 YTCKWPXKMBXIPT-SSVUZXLWSA-N 506.740 5.235 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1Cl 59303847 BTUPDZXOHQRPDU-UVHMKAGCSA-N 513.775 6.200 50 10 KKGE COc1ccc2cc(/C(C)=N\Nc3ccc(C(=O)N/N=C(\C)c4ccc5cc(OC)ccc5c4)cc3)ccc2c1 97980818 ZUIFVBHJJBZFJY-BSEYNIQASA-N 530.628 7.000 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101295950 OGVBJCQXPZLLQX-QHCPKHFHSA-N 549.435 7.210 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101333237 LLJUVMWWZJYHQK-ZTKZIYFRSA-N 536.676 6.747 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101336723 JNACYYRWHPUHRM-VFJHFUSOSA-N 621.719 5.345 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341600 MUNORVNDQCFFFV-ZTKZIYFRSA-N 598.725 5.603 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362371 SPEWEDOUMIVBHC-HKBQPEDESA-N 534.568 5.477 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 101374252 GTWVKXVVEBMAFW-SANMLTNESA-N 539.415 6.474 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 101375489 WGCMAEINHDQTPO-XIFFEERXSA-N 562.666 7.635 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101389375 JVNBTRIYNLDPIC-MGBGTMOVSA-N 580.612 6.314 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)oc2cc(Br)ccc12 101392120 BZVNNPKJRUDQFL-HSZRJFAPSA-N 570.226 7.248 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393735 FEXLOIJJVXVNDL-LJAQVGFWSA-N 587.459 8.012 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396790 RNENMGNWRKFAEO-DEOSSOPVSA-N 599.923 8.478 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 101405800 MEJWKUWMXLGSQG-QCOJXGBLSA-N 625.106 5.118 50 10 KKGE CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 101646406 QNVVTVBFHJPOJL-PNLXHIIUSA-N 527.260 5.692 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 101751361 JPAPJUBDHTUSHB-XDHOZWIPSA-N 523.383 5.373 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1cccc2ccccc12 102932853 CYOUSOIOXVEKGX-MTJSOVHGSA-N 562.409 7.578 50 10 KKGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 103810583 XEJZACOQLZHDHW-BXKXQWCYSA-N 608.290 5.401 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 103879041 WSAKCGFFHSUZCK-QXUDOOCXSA-N 609.480 7.466 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1csc(I)c1)OCCCO2 124419724 QEMGSNCKUFKSMD-CQSZACIVSA-N 530.019 5.761 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)cc1 150422388 QKSYCWFDJAUSHC-PHBQLMGTSA-N 774.102 6.412 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 150429158 KZXPXINCLCHMCE-XSKYCKKESA-N 635.309 6.061 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 164699758 WHWHECIRYAHLKI-CJLVFECKSA-N 628.308 5.888 50 10 KKGE COc1c(C)cc(P(C[C@@H]2OC(C)(C)O[C@H]2CP(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 195826436 SKXXXRFPVHLNLJ-UWXQCODUSA-N 730.863 8.274 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)ccc1OCCC(C)C 206955563 AOWPFWPTNUFFPQ-UNQVSZHLSA-N 514.578 5.555 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 214289824 QMMYZZGWKOSZRL-ITYLOYPMSA-N 524.621 5.265 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 214358777 BVVPEDLTVPUUJD-USHMODERSA-N 536.701 6.966 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214429553 QVGWPJDZRSLFIW-QRQIAZFYSA-N 552.631 5.180 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)c(Cl)cc1F 235863734 XXCKVEYELJSCBI-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253562486 DHXXITQEVXGLLS-RXXZHPLBSA-N 660.973 5.459 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccccc1 254287277 STSOECHVOKKZKT-UHFFFAOYSA-N 524.573 5.413 50 10 KKGE O=C(CCCCCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254344059 SBKYCAJQDLRUKP-UHFFFAOYSA-N 632.717 6.456 50 10 KKGE O=C(CSc1ncnc2sc3c(c12)CCCC3)NN=Cc1nn(-c2ccccc2)cc1-c1ccc(Cl)cc1 254411676 QEJPMSYOVQCZRT-UHFFFAOYSA-N 559.120 6.319 50 10 KKGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21)c1ccccc1 254506247 REZBFNKESTUACC-UHFFFAOYSA-N 553.460 5.590 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc3c(c2)CCc2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)s1)C(=O)O 606303554 SMXFFEPTKBNUQV-FAJYDZGRSA-N 574.705 9.795 50 10 KKGE CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC=C[C@H]2OC(C)=O)O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H]1OC(C)=O 616589918 POFJFIPDEIUPPA-RWAHBOCMSA-N 789.121 7.120 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 724929560 XPKLIHUXDXUWOX-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE CC(C)(C)c1cccc(N(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(OCCCN3CCN(c4ccc([N+](=O)[O-])c5nonc45)CC3)cc2)c1 725238886 RVTPLLXFSJOCSN-QNGWXLTQSA-N 746.309 6.782 50 10 KKGE CNc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2n1 1083805709 RNYXUWAQJPNBRD-LBAFWROKSA-N 914.130 9.548 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)CC(=O)NN=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 1083952265 LHMLAZXXRXFKSK-HKFSCZNMSA-N 636.837 6.845 50 10 KKGE O=C(CSCc1ccc(Br)cc1)NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 1084049846 XCYVDWNJRNTQDG-UHFFFAOYSA-N 501.431 5.453 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 1084079357 WGFIWTOVSVLFQM-UHFFFAOYSA-N 600.513 6.680 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084136386 XDTXGMATGWEAFO-UHFFFAOYSA-N 648.557 7.985 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cccc(C(F)(F)F)c2)cc1 1084184801 LGOFEXIFNBTAMP-UHFFFAOYSA-N 659.086 6.030 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc2ccccc2c1 1084192501 KFKLOBKJFSNJFW-UHFFFAOYSA-N 569.455 7.429 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084301712 FEMYWENFENBIED-MDWZMJQESA-N 508.224 7.354 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc2ccccc12 1084352948 BUBPYONATBKFJD-UHFFFAOYSA-N 618.325 8.182 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1 1084399817 FGOBYZRTFMUXJJ-UHFFFAOYSA-N 627.166 6.916 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084408826 QVYIPGVWCGQEKO-RUZDIDTESA-N 507.428 5.721 50 10 KKGE CCc1cc(C)cc(OCC(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084510257 RINNKMGXHHMRTQ-UHFFFAOYSA-N 507.837 6.247 50 10 KKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCCc1cccc([N+](=O)[O-])c1)/N=C1/CCc2cc(Cl)ccc21 1615949318 LELMTMLGHBQDMR-TZHWMEPESA-N 546.933 6.964 50 10 KKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 1772744345 WASLASMUBYTVJZ-UHFFFAOYSA-N 503.908 6.291 50 10 KKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)cc1 1772744893 NDUAOFKNLVWWCW-UHFFFAOYSA-N 503.558 6.125 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749474 UVNTYPBVHVXNRQ-UHFFFAOYSA-N 545.561 6.848 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1OCc1ccccc1 1772753917 GWTJVDLJEJSSBQ-UHFFFAOYSA-N 604.339 6.760 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC 1772754944 BGNVKQQRZUIZPJ-UHFFFAOYSA-N 554.919 6.266 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2cccc(Br)c2)cc1 1772755129 OVDCAWDQFOQMMF-UHFFFAOYSA-N 538.492 6.394 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2c(Br)nc3c2NC(=N)N[C@@H]3OCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C 1848436104 WZONGDXIZTUQFZ-WTEVXDJOSA-N 666.810 7.511 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688437 RYRQVPNHOXFGIE-WJOKGBTCSA-N 570.649 6.396 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865689440 SBCIQMFOVYQNHD-INIZCTEOSA-N 573.728 5.438 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691078 IPOFQNVILUNUMQ-NRFANRHFSA-N 532.950 6.009 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865696311 LWGJNLVANCZHEV-HHHXNRCGSA-N 535.088 6.723 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702033 KZENKIMVBMFVCJ-QHCPKHFHSA-N 522.914 5.896 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703523 AHVPLLHDADULJN-SANMLTNESA-N 531.443 6.598 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704141 OJPLJIDDUPGFJX-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704934 ILCADELZZAWKKP-MUUNZHRXSA-N 534.616 5.638 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705183 OEOPZSIGAFELDZ-LJAQVGFWSA-N 572.596 6.183 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712021 NSWPDGICGGIGOT-XMMPIXPASA-N 576.396 5.803 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)c2ccccc2)cc1 1866776140 LIWLXPUTOVBABC-LMSSTIIKSA-N 509.606 6.417 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866995242 IYAARHAZFQSFPN-LBNVMWSVSA-N 563.745 6.073 50 10 KKGE CCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040042 PGVYYDYFEIJAMY-LEWJYISDSA-N 543.512 5.924 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414036 GRGSPTKVUGVXOZ-UHFFFAOYSA-N 565.102 7.694 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2Cl)cs1 1872746183 WRIRHUKTAJPGPM-VHBBHFJJSA-N 511.990 6.164 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872749359 NVHCNFZBLKROJN-RFBIWTDZSA-N 521.598 6.345 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915297241 DVIATNSZMTTWOX-SFHVURJKSA-N 504.181 5.492 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 1922946677 ULDMYQSFMQVFPK-LLVKDONJSA-N 519.878 6.529 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)c1csc2ccccc12 1924598996 AEJLEHYGONQSII-NSHDSACASA-N 501.490 7.579 50 10 KKGE FC1(F)[C@H]2C[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]21 1924616493 PHMZCWOULCLYRV-SKHQTKALSA-N 543.891 7.153 50 10 KKGE Clc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925583635 FDDKTYAHBVURHX-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE CC[C@H](C)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781132 CVHFVVPKCJHOEG-IMTBSYHQSA-N 512.305 7.453 50 10 KKGE N#CC(=C1N[C@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)cc2)S1)c1ccccn1 2059835692 JRCQAESKBUWOKH-GMAHTHKFSA-N 530.369 6.082 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23CCC(CC2)OC3)c1Br 2072709886 ZVTDSUWIBZPHEA-ATZMEGNHSA-N 523.910 6.431 50 10 KKGE CC(C)c1cc(C(C)C)c([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)c(C(C)C)c1 2080760006 HVYVKRIMWAYKQQ-HIJQYJRJSA-N 611.876 9.298 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141470056 DMZJZMXKCGYFNM-SNVBAGLBSA-N 617.220 8.244 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141471222 PBQRGYJNSWAQPD-CRCLSJGQSA-N 596.699 7.761 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC23CCOCC3)c1Br 2206396235 UQHXVTAIIQZMOP-HQJQHLMTSA-N 596.777 6.989 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2206580333 QTKLSICVKNXYQZ-CQSZACIVSA-N 527.876 6.775 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(C)c2)cc1Br 2207106038 WKRWOAFPSJHKBN-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2207261903 OINKZCWGPKVTRP-DGCLKSJQSA-N 515.027 5.078 50 10 KKGE Brc1sc([C@H]2C[C@@H](Br)CC3(CCC3)C2)c(Br)c1Br 2222471964 BGMYASZEIUDQSY-JGVFFNPUSA-N 521.938 7.237 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c(Cl)c1Cl 2232510041 LDPZEMJLYNRCSV-NSHDSACASA-N 634.158 8.261 50 10 KKGE CCc1cc([C@@H](Br)c2c(F)cccc2I)sc1Br 2255980577 ORBUPXGWZDZGLT-GFCCVEGCSA-N 504.000 6.301 50 10 KKGE Cl[C@@H](c1cc(Br)co1)c1c(Br)c(Br)cc(Br)c1Br 2258148934 SLARRLLEAHABTG-NSHDSACASA-N 587.125 7.420 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1I 2269550883 XARUACPYDBEXJP-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE C[C@H](Br)CN(C(=O)c1ccc(Br)cc1I)C(C)(C)C 2272491749 TZBAQWWGYCNQKX-VIFPVBQESA-N 503.016 5.078 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198343 WMJCRUFJIUJRLZ-QFIPXVFZSA-N 522.424 5.093 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)c(C(=O)OCC)c1C 2296790250 ZJEHLOJQTKPCFI-UHFFFAOYSA-N 507.637 6.239 50 10 KKGE Clc1ccc([C@H](Br)c2sc(Br)cc2Br)c(I)c1 2301795316 DYOUWPVTJIVSJB-JTQLQIEISA-N 571.297 7.015 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1 2313521591 YERSZAAZKXBLCX-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(Cl)c1 2313676702 VGJDZCIKJUTMHR-UHFFFAOYSA-N 500.904 6.882 50 10 KKGE Cc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314443348 JAFDIYMYJANANH-NRFANRHFSA-N 527.627 7.269 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314452958 RZYXOWXBUPJKRM-IBGZPJMESA-N 545.496 7.928 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314496237 ZKTCAZXDBDADFX-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592003 JJMWETLZLQYNHB-RUZDIDTESA-N 602.034 6.831 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593299 KZCBOJSIRFMIRF-AVRWGWEMSA-N 562.489 5.761 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593971 WQYMNKNMTVMENX-HSZRJFAPSA-N 507.999 5.074 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314616930 NAAPTAHHAVALMF-UHFFFAOYSA-N 516.638 5.888 50 10 KKGE CCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 2314617435 YHTOVEPVGXVKOV-UHFFFAOYSA-N 532.637 5.506 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314619880 GPEAOCLZNUKIFF-UHFFFAOYSA-N 580.000 5.902 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314620737 UBDOOKUHJRGFTG-UHFFFAOYSA-N 574.656 6.814 50 10 KKGE CCOc1ccc(N(C(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 2314777447 FSQMCZPDAUQSFQ-UHFFFAOYSA-N 520.607 5.130 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 2326840027 KVBKBFWDZCHOIU-UHFFFAOYSA-N 516.812 5.873 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCC(=O)N(CC)CC 2331485681 RGSWXRUKSDEXQV-UHFFFAOYSA-N 519.667 6.146 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Cl 2336074526 HCIMJMUCMAMFRE-FQEVSTJZSA-N 502.580 7.444 50 10 KKGE CCc1nc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2360421899 FPLCQBQSAYIEIZ-VIFPVBQESA-N 526.878 7.161 50 10 KKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCOCC1 2361167342 BPHVNMWNWZBRPO-GOSISDBHSA-N 508.172 6.823 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365214432 AJBVHPOYEQHBBG-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE BrCc1ccc2c(c1)CN(Cc1ccc(I)c(Br)c1)C2 2377335983 XJHFDRJVONSTTM-UHFFFAOYSA-N 507.007 5.464 50 10 KKGE ClCc1nc2cc(I)ccc2n1CCC12CC(I)(C1)C2 2381355090 FDFVJUUBIIQULX-UHFFFAOYSA-N 512.560 5.128 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 12502729 WEUOYMBBZDXMOB-UHFFFAOYSA-N 516.450 5.006 50 10 KKGE COc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCN(C(=O)C(C)(C)CCl)CC3)c2C)cc1 16567529 JAJWTWXHQVIBDH-UHFFFAOYSA-N 528.480 5.664 50 10 KKGE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)C(c1ccccc1)c1ccccc1 20286936 CDCGPTFCYUFTAU-NCELDCMTSA-N 509.635 5.526 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl 33406755 WTLPBLSVSUPVHB-NVMNQCDNSA-N 501.797 7.170 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38686106 RFLWLFDAGWYNFK-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 38686537 OTFIFTUDPXCONV-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 38686559 FENGSOLONDLCKX-PMERELPUSA-N 518.569 6.102 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 38686820 ZITDODXXDGYJKC-SSEXGKCCSA-N 506.533 5.771 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38701335 LLWDHWBFLCWAGX-GDLZYMKVSA-N 522.601 7.056 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc(C)c1Cl 40825955 XGSLXQMMGKKQOB-NJZRLIGZSA-N 501.970 6.096 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 100173351 ZVLZTXMYXMIKQL-UHFFFAOYSA-N 564.546 5.555 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 100459033 PLNVPXYEPJXQPO-MZJWZYIUSA-N 552.226 5.805 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101231037 QSWJOFPGIDTNFN-VUTHCHCSSA-N 526.596 5.897 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101334741 VOUQXHVKRXORKH-OCSSWDANSA-N 560.629 6.506 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101336700 PYVZRQBPJUVORR-ZVHZXABRSA-N 500.514 5.671 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 101375270 HSEMTIYHPJWZKU-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101375830 QIGHBADERBFCJD-FQEVSTJZSA-N 546.448 5.373 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379226 IWQOSYZUIGYUQA-YTTGMZPUSA-N 559.021 7.510 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(Cl)c1 101391093 ICEWQKPBWSKYES-HXUWFJFHSA-N 527.816 7.299 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1)C(=O)NCc1ccco1 101733561 VMMMULJBRIOYDI-HZHRSRAPSA-N 557.400 5.917 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)c1 102601978 JTZRAKQMLOIQBR-MQFJWDDPSA-N 603.469 5.873 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)Nc2ccccc2OC)c1C 103124935 USKRHTKWKYTENF-NBVRZTHBSA-N 562.648 6.733 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1 103888301 URLVJTMQZJSHQK-JAIQZWGSSA-N 556.375 6.262 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 105660887 POXHJHCIBGCLSW-LQKURTRISA-N 545.275 6.133 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)cc1Br 128741969 LNIRPPGWAYTLLA-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE Brc1cc(C(Br)c2cc(Br)c(Br)s2)sc1Br 128884541 DCKCZTPSEBTQFM-UHFFFAOYSA-N 574.777 7.344 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150462246 RSYVOUWUJSLIOF-LJAQVGFWSA-N 637.903 7.680 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 150479057 VWIPXKHDEKKTCU-DEOSSOPVSA-N 694.757 8.874 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479734 XAGNEXJDZCUTGU-MUUNZHRXSA-N 622.848 7.571 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485783 YKTHGVBWRHEUIX-XIFFEERXSA-N 631.512 7.400 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 150497269 ITZBENJOMWRHLP-FADJLKOXSA-N 655.154 7.615 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206501811 SCDJCUSOBGHUFE-AIEPUDQMSA-N 506.599 5.323 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214248987 RKWORTSNIJMBSG-MIXAMLLLSA-N 542.639 6.427 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 254449463 OOWBCFXGECVIGF-KIEALTKCSA-N 576.609 5.045 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc2ccccc12 254449683 RCPNNSINIZRXSK-UHFFFAOYSA-N 547.728 7.326 50 10 KKGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CCCCCCC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254627215 PZGWEPFPOBMOFN-UHFFFAOYSA-N 678.742 6.083 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 254696516 RPZHOBUNQYFVTB-UHFFFAOYSA-N 510.675 7.074 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254866510 KJOBKBBYVRFHBE-UHFFFAOYSA-N 547.636 5.892 50 10 KKGE COc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OC)c1 254877121 DCUJGWNNMJNIJO-UHFFFAOYSA-N 502.634 6.213 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(N[P@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1 263621476 YOZBKOHEDWOGML-MDPPWTEBSA-N 537.383 8.321 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)ccc1OCc1ccccc1 263629345 WOLKJKMHJVXFDJ-UHFFFAOYSA-N 541.607 6.352 50 10 KKGE BrCc1cc(Br)c(OCc2ccsc2Br)c(Br)c1 388893504 PLMIJZGWRIYXQZ-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC=O)[C@@H]12 725238042 BRZCKJCXWDGCIO-NSUPWIOVSA-N 659.040 8.805 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238149 QFVMTJBQPKBIRI-FQEVSTJZSA-N 546.011 5.159 50 10 KKGE CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084069400 YKPKUYTVLZBGGI-NTUHNPAUSA-N 528.186 5.252 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084196997 YYIYZTOZLBLWGF-UHFFFAOYSA-N 642.981 8.610 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)cc1 1084231297 VDQMUCSMBRRXIM-UHFFFAOYSA-N 629.157 7.354 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 1084276378 HORMKRAHDMNWIL-SANMLTNESA-N 690.319 6.592 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686101 QSPQKRPIFXJFLI-JOCHJYFZSA-N 555.824 6.924 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688162 LRAMAKLVGHVQLW-HSZRJFAPSA-N 531.410 5.673 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865689870 FKCMCSLLJJHCBT-GDLZYMKVSA-N 518.661 7.002 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865690987 GRACXYNQXPOPHE-LJAQVGFWSA-N 569.105 7.438 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865697294 ZFPXIRXUGBHUPK-LJQANCHMSA-N 536.213 5.242 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703609 CLNNWQYILQKTNP-LJAQVGFWSA-N 519.004 6.785 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704372 UMZLUENWKVZFHI-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705274 QHNUCZVPFRPRAC-MUUNZHRXSA-N 571.593 5.389 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)c1OCc1cccc(C)c1 1865705475 WQVXINUFOKCCJS-SANMLTNESA-N 512.997 5.948 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706308 SQRSRNCQGGYNTO-IBGZPJMESA-N 504.761 5.580 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(Cl)c1O 1865706956 JVYBTVIAGXWQPU-INIZCTEOSA-N 511.287 5.189 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130467 WJFFXHZBSAIQSP-LPYMAVHISA-N 516.619 6.033 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 1866580653 WLQDUOVIXQSKAJ-VWLOTQADSA-N 580.760 7.020 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866671756 RLEBOKQQZYHZOV-MHZLTWQESA-N 584.654 5.066 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730426 VPIONOZLJLFIGH-UIOOFZCWSA-N 527.646 5.281 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)nc(Cc3ccccc3)n2)cc1 1868207404 MICICLIJZQBKPT-YTTGMZPUSA-N 553.735 8.121 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1C 1872746293 BGYGCOROBVRQIV-YOMIDHQQSA-N 508.643 7.948 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 1872753353 SYRMTYUNGMCPTR-ROMGYVFFSA-N 506.628 7.083 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cn(C)c(Br)n2)c1Br 1922907213 REWZCJMJMSLOFQ-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2csc(Br)c2Br)c1Br 1922931394 BVCCRFZYWOTJOP-LURJTMIESA-N 588.804 7.652 50 10 KKGE Clc1cccc(Cl)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055844 ZPGIBLRHPXKJBV-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE FC(F)Oc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072193 NPSQKVQCEHXZTB-MRVPVSSYSA-N 511.407 7.012 50 10 KKGE Cl[C@H](c1csc(Br)c1)c1c(Br)sc(Br)c1Br 1924579494 GNDSMYONNSVWQQ-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2001645550 CTQZFDPFRZLLGY-CAHLUQPWSA-N 509.883 6.041 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1F 2025779061 CDHPPBMDCXTPAK-DADVEIPYSA-N 558.703 6.921 50 10 KKGE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2037916294 AHKVECQGASADRU-WZYYJWNZSA-N 885.971 8.579 50 10 KKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)CC(F)(F)F 2059312592 NDGKHDNGGSNCFV-UHFFFAOYSA-N 501.162 5.097 50 10 KKGE Cc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079257290 MLKSMNRAQBRDCX-UHFFFAOYSA-N 513.017 5.718 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12 2080748547 ZEKRYLFTCRWHOG-JJQXXVEZSA-N 521.666 6.739 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccoc2Br)c1Br 2081069995 GTCZOIOXDPEJBE-GFCCVEGCSA-N 501.838 6.668 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2083329985 JPYCKKNYFWRIQQ-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]32)c1Br 2085495949 UHAXHHODZIPRPJ-QMWPFBOUSA-N 566.751 7.219 50 10 KKGE COc1c(CCl)cc(Cl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2095884821 GUFBKWRTCAWABE-UHFFFAOYSA-N 507.483 5.410 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 2097834907 OONSXMTUZPYVNJ-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2141471189 OVESFDKRZIESBY-ZDHPNQEHSA-N 534.311 6.919 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2141471574 SWWLKWIIOAFQOL-NGYCSDOPSA-N 580.778 7.609 50 10 KKGE Cn1cc(Br)c(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2143636681 ZYSNQRQGUUQJCR-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Cl[C@@H](c1cccc(Br)c1Br)c1cc(I)cc2c1OCC2 2148749119 GRMIIDMWMVWWSG-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCCC[C@H]1Br 2172546714 IINAMHGRONNUQH-ZIAGYGMSSA-N 515.027 5.222 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(Cl)ccc2I)cc1Br 2198736808 IQCALWCAGOTTJY-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Cc1c(F)cccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396400 WGCQSPKKZSUYKJ-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE Clc1cc(Br)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206409281 PADDAGUWSUHUCD-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2207259372 AIBLRNOETHNZOW-AWEZNQCLSA-N 595.294 6.963 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1scc(Br)c1Br 2213640160 FUFGWFMMGLTHHY-VIFPVBQESA-N 523.935 7.198 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CC1CCN(Cc2ccccc2)CC1 2234069723 CAUDOKHLMRNETL-UHFFFAOYSA-N 511.689 6.212 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 2235613332 WVSZPYAKGYNSLU-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)cc1C 2282786861 JSQUGHPPYUIVKG-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198485 ZDSPKCAVXZRTKC-QFIPXVFZSA-N 522.399 5.653 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(Br)c(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 2293226883 JSSZVLQEFOLVRA-UHFFFAOYSA-N 718.048 7.406 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O 2296637527 RAZDODOUPLDNHQ-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 2297456489 SFAPBYVIAPGZNP-UHFFFAOYSA-N 505.962 5.038 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(Cl)c(Br)c2)s1 2300953559 KYBRQEOIISTBRE-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313567640 JKPWKYOWIDKDFR-UHFFFAOYSA-N 556.287 7.918 50 10 KKGE C=CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397568 YMEQWZSXAKLTDG-UHFFFAOYSA-N 556.855 5.233 50 10 KKGE COc1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)csc1Cl 2314449211 OBZNZQZOQHGFMX-KRWDZBQOSA-N 502.655 7.236 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314490902 LXWJIGFVSUJVPW-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 2314572001 QJOCMPRNZSXIGN-UHFFFAOYSA-N 502.592 5.547 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592346 RMQVPVRMXHRHKD-DEOSSOPVSA-N 572.008 6.741 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593094 HLDGALCQXZTWHU-QHCPKHFHSA-N 526.445 5.891 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314611723 ZIUUMGAHKNGATA-UHFFFAOYSA-N 508.622 5.885 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314617371 WZTQGBOZCCINRD-DEOSSOPVSA-N 623.779 5.885 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314617381 XFJUCQJHNRVQSS-UHFFFAOYSA-N 508.574 5.384 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640673 KMXSSEJWTACNAK-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 2314737377 DLBHTGCJURWMMU-UHFFFAOYSA-N 549.421 5.542 50 10 KKGE CCCCCOc1ccc(C=C(C(O)=C(C#N)c2nc(C(C)(C)C)cs2)c2ccccc2)cc1OC 2331307203 QXTUVWWONHLOIK-UHFFFAOYSA-N 502.680 8.052 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331349427 RPUHKPICBFLVRP-UHFFFAOYSA-N 501.608 5.985 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 2331432026 LFQLHJNFBPBOMA-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C 2333242422 YTANFSVGWHEWKY-UHFFFAOYSA-N 596.913 9.209 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2338025178 DPPIVVMQOXHCCW-AWEZNQCLSA-N 531.933 7.472 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2338862596 XRWDVNXUJXTWLD-JTQLQIEISA-N 515.869 5.809 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)c1Br 2362220253 HPAQEPYONQUMQV-NSHDSACASA-N 662.154 7.856 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362224538 LYUHZQVXTBSMGX-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 1476925 FDVHSYYMGNQIMS-UCQKPKSFSA-N 503.967 5.302 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790756 KEPOQZKEVLMGSN-FNBPXTNNSA-N 573.299 6.821 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1 2673081 ODUQNTPYQFHDLE-XMKGZYFRSA-N 504.634 6.811 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668197 AIYAQGHMVLHLKJ-GFCCVEGCSA-N 518.235 5.047 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 20468129 ZOCYOQCMSSJFGU-UGSQCJFISA-N 525.476 7.132 50 10 KKGE O=C(Cc1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 20510136 MYQMAGQQYYNAMG-LQKURTRISA-N 502.914 5.453 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 33959175 VKOFHOPTJHHOCH-STBIYBPSSA-N 515.393 5.921 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 38606849 YDMSIODDDSEZMW-WGOQTCKBSA-N 518.573 5.632 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC)c(OC)c1 38659669 ROJQWZWUGDOJDZ-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38686133 AGMAIIJWQBFVKR-HMILPKGGSA-N 516.569 5.986 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)c1 40822277 VMLFVIGWMPHZGN-MUGXBBEHSA-N 521.617 5.910 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 40870025 TYCWOASLSJVBDI-XQFACUIPSA-N 505.574 5.555 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 40950747 BAINQAWEXIQNQE-LGJNPRDNSA-N 511.844 5.826 50 10 KKGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 100054792 ZNZDBEZUFAVICK-STJHFJMESA-N 570.403 5.223 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2)cc1 100066367 JMHYFLQILWVYFK-ZXHXELASSA-N 568.678 5.184 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 100188406 AYNPSCSDCDGTHW-UHFFFAOYSA-N 570.322 5.412 50 10 KKGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(OCc2ccccc2)cc1 100212947 XPSDWWXGHKIFBV-UHFFFAOYSA-N 604.526 5.599 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1 100233354 UDNUFWSHGZVQMS-DVMDLWDRSA-N 566.452 5.271 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(c1ccccc1)c1ccccc1)[C@@H]2Br 100922162 NYDKGDOMUAKZMY-WTNAPCKOSA-N 556.136 7.037 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C1 101014600 XEGNYBGKMDNTGP-SNCWWCFESA-N 557.720 5.316 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101307131 VOASGPAGRZPNKS-YTTGMZPUSA-N 544.607 6.216 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101334223 KWCBKLYQNDKISC-PSZYXBCASA-N 522.649 6.273 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 101374699 MFVHHUYJOVRLBY-YTTGMZPUSA-N 556.659 6.474 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379026 WYKPOMAYPATPBL-SSEXGKCCSA-N 617.883 6.884 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390120 QVFBJMGFKBTEQW-DEOSSOPVSA-N 549.479 7.943 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101393188 JCEHWYBBPLYWKT-PMERELPUSA-N 552.627 7.065 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101395213 AHKKNMGZPZDQSY-AREMUKBSSA-N 595.504 7.833 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)sc2c1 101397626 ICCPMLKSGRGWPE-GDLZYMKVSA-N 613.522 8.533 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OC)c1 101795066 MWSCINUQTYGAGR-MHWRWJLKSA-N 566.246 5.028 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 101799455 ORUYTJBTLMIVIT-UDWIEESQSA-N 543.458 5.697 50 10 KKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)N/N=C/c4ccc(OCc5ccccc5Cl)cc4)[nH]c(=O)c23)cc1 103707637 FHRJFVWZHKBNDE-ROPCREHHSA-N 603.169 7.250 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 150455200 VEJZVKMQDKNKSY-VUMGZPTDSA-N 630.682 5.211 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150473706 DXOIYMKZKJZCTB-FQEVSTJZSA-N 628.723 7.945 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Br)cc1 164616125 HDFJETNARKTZAU-FDALDRLYSA-N 687.432 8.719 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1ccc(B2OB(c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)OB(c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)O2)cc1 201291868 CARMTALYHBTNGW-UHFFFAOYSA-N 744.621 8.801 50 10 KKGE CCCCCCCCc1ccc(C(=O)[C@H](SCCCCCCC[Si](OCC)(OCC)OCC)c2ccccc2)cc1 205183625 YOVAXSDAMPZZNF-PGUFJCEWSA-N 600.982 10.246 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C 206560024 DTLGUYRKBNBNIX-DQRAZIAOSA-N 669.237 13.320 50 10 KKGE in-vitro C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 231223083 PPFHNIVPOLWPCF-SRHPJPHMSA-N 541.071 6.075 50 10 KKGE BrCc1cc(Br)c(OCc2cc(Br)cs2)c(Br)c1 232484704 SFMCGOPXVRQZDP-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(Br)ccc1I 234879549 PTZVYILQGOLCEU-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(I)c1 236171100 JILHHCXKDNVBGR-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(C(C)(C)C)c1O 252589205 AINGSYFHNDEZHD-UHFFFAOYSA-N 506.397 5.187 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254394768 PVBCPPILZSLTAZ-UHFFFAOYSA-N 604.526 7.444 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 254490702 CJELQCZHBXLWLD-NRFANRHFSA-N 613.740 5.780 50 10 KKGE CCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COc4cc(F)ccc4[N+](=O)[O-])c3)c3ccccc3n2)cc1 254666866 GTSSSSABHGOPGA-UHFFFAOYSA-N 594.599 6.699 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 254721214 CQUNUKMAEMFSNN-UHFFFAOYSA-N 520.758 8.926 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1 254737402 FJROWAWJQBRURB-UHFFFAOYSA-N 557.628 5.178 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]12 255970291 DUYDNPDLGLCXCC-TYBRPWCHSA-N 585.298 7.027 50 10 KKGE CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 256014869 YZUJIMXHROAZNZ-HNOMNVMKSA-N 518.811 7.225 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)ccc1I 383231901 BHTGEPIYPMRZLU-CQSZACIVSA-N 530.958 5.812 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cscc2Br)cc1Br 404829867 HWTOEUNBXRJXDV-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 504249486 MILYVWHUDKCSIS-KBNNNYAWSA-N 924.727 18.718 50 10 KKGE O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)N/N=C/c1ccc(-c2cccc(Cl)c2)s1 606631241 ITUANPUBSVGRMV-VWJSQJICSA-N 591.918 6.165 50 10 KKGE O=C1Cc2cc([C@@H](Cl)c3scc(Br)c3Br)c(Br)cc2N1 705466515 VPDALKUJRYWCSJ-GFCCVEGCSA-N 500.437 5.858 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 1083955256 BUAHMFAYCJPUJH-RUZDIDTESA-N 624.359 7.096 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 1084000396 HSIRUGZQEMWTNO-MHZLTWQESA-N 524.448 6.359 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084001015 JBDZIKWLVWMKMU-UHFFFAOYSA-N 653.533 7.865 50 10 KKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2C)cc1 1084013873 FCZFWKOHVAZGQH-UHFFFAOYSA-N 517.029 6.096 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084249496 FMLWGYIDBHWLPS-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1C#N 1084278567 VNXOVZDXEFXHLF-JVWAILMASA-N 516.601 5.622 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084373170 BEGBDTHIGUYTPM-UHFFFAOYSA-N 625.545 5.219 50 10 KKGE COc1cc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC 1084377166 CXKHLGPTYRNAOH-UHFFFAOYSA-N 502.354 5.035 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc(Br)c1OCc1ccccc1 1084613138 HLQOJXWTERCBEF-UHFFFAOYSA-N 622.541 5.767 50 10 KKGE CCCS(=O)(=O)c1ccc(OCc2ccc(Cl)c(NC(=O)NN(C(=O)c3ccccc3)C(C)(C)C)c2)cc1 1615948441 KSYWECFMKPKVJX-UHFFFAOYSA-N 558.100 6.080 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751647 VSMMUUCXYMTYBC-UHFFFAOYSA-N 569.415 6.137 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(C)c(Cl)c5)c(C)c43)coc2c1 1772751889 PGWSNJZXQXZRHZ-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(F)cc5F)c(C)c43)coc2c1 1772751984 PBWRAPHJKHGQKG-UHFFFAOYSA-N 505.521 5.881 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccc(C)cc1 1772753973 AIAMQCYRIXZBKF-UHFFFAOYSA-N 539.470 6.306 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1865685207 FQJOULKGIJABJT-OAQYLSRUSA-N 507.808 6.777 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc(Br)c1O 1865688580 VPVNEVCNNFPCEL-NRFANRHFSA-N 539.430 5.300 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690680 YSGKMRMGDZCSCC-AREMUKBSSA-N 541.449 6.384 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865692595 NQWOSTSPVOFLMY-MRXNPFEDSA-N 529.357 5.480 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692779 PFYPPRKZJQOYMU-HSZRJFAPSA-N 549.414 6.090 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccc(Cl)cc3)cc2)cc1 1865694535 YVIUPTYNBACZIQ-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701283 RIFURILDYYBSPC-MHZLTWQESA-N 545.014 6.092 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703057 LYBOGLCBCPTKIK-SANMLTNESA-N 575.894 7.038 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708401 WDPPOIACHQJYGC-VWLOTQADSA-N 528.996 5.496 50 10 KKGE CC[C@](C)(NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866569033 YKERVGCSHWKWAH-MHZLTWQESA-N 532.716 6.578 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)c2ccccc2)cc1 1867132161 OSMZZMYKLODONK-VAVYLYDRSA-N 527.596 6.556 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1)CC3 1868207199 JKAVNCBTSKCULU-UHFFFAOYSA-N 500.631 6.935 50 10 KKGE Cl[C@H](c1csc(I)c1)c1ccc(OCc2ccccc2)cc1Br 1899877610 UHTFACPETUGMNZ-GOSISDBHSA-N 519.629 7.022 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1sc(Cl)cc1I 1900924942 RWYOXFWYIFBMMI-SSDOTTSWSA-N 513.445 6.018 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915130173 HSBRXOJIZDUODO-CYBMUJFWSA-N 551.060 5.870 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915297586 IXYYAMNSBHCWBT-GOSISDBHSA-N 565.087 6.116 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cccc(C3CC3)c2)c1Br 1924569483 WGQPZLHQCGPFGU-NSHDSACASA-N 529.917 7.397 50 10 KKGE Clc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924599122 CAPPYMLGJFFNSH-QMMMGPOBSA-N 528.318 7.865 50 10 KKGE Fc1ccc2cc([C@@H](Br)c3c(Br)sc(Br)c3Br)sc2c1 1924602501 YCZMKCNLFBRTFN-SNVBAGLBSA-N 563.931 7.874 50 10 KKGE CS(=O)(=O)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2002553416 ZATPWRYPSNUXBI-ZCFIWIBFSA-N 531.911 5.049 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2033091590 SJLHHISXFYRQQU-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE C[C@H]1CCc2c(sc3nc(C(C#N)=Cc4cc(Br)c(O)c(Br)c4)nc(O)c23)C1 2042445840 BBZYSWDNSPWNLK-VIFPVBQESA-N 521.234 5.816 50 10 KKGE Cc1c(Br)cnc2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2065283429 CPCNHZAETZDMDG-HXUWFJFHSA-N 511.895 6.895 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12CC(CO1)C2 2085493640 FFJODGKUSALKBY-JTIOZCSCSA-N 524.272 6.196 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC[C@H]2C[C@H]21 2141468989 PWYQLRNXTFGOOT-VRRBYHOISA-N 536.327 7.453 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Cl 2141470475 HKKBETITTRGDAG-IHPSOHBWSA-N 539.331 6.405 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2156115041 ATJOAHJQBJIRAK-PNLAZUSQSA-N 513.467 7.531 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)c(F)c1Cl 2201613964 DVESSTVVWLYPJB-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE Clc1c(Br)cccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408529 KGXMLLOLBIGIIK-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Cl 2232526644 JUKNHTGRQCYOCH-CQSZACIVSA-N 501.871 7.620 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)ccc1OCc1ccccc1 2293202140 IBSVTAKBSLHZII-UHFFFAOYSA-N 516.022 6.521 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 2296025062 BPJRINLDYRQLGQ-UHFFFAOYSA-N 544.632 7.761 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2297458697 WUVGIJZBPWGONJ-DEOSSOPVSA-N 601.353 6.541 50 10 KKGE N#CC(=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 2297534138 OHHWIRHZWKLTBN-UHFFFAOYSA-N 508.507 6.412 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 2301118803 HHBZEXDFPMEYPR-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Cc1c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)nn(C)c1Br 2314440363 OXKJVZGAXXAXFS-QGZVFWFLSA-N 529.070 6.317 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 2314489242 RBKZUTSLQIFMDS-UHFFFAOYSA-N 543.877 8.143 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314616585 FCURSFVLTOOPAA-UHFFFAOYSA-N 572.621 5.849 50 10 KKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618117 HNPFTKDINPWFHB-HXUWFJFHSA-N 512.993 6.281 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314619965 ICDOJHGPIMJQNQ-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646750 MEJWKUWMXLGSQG-RUZDIDTESA-N 625.106 5.118 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1Cl 2328824678 RETROCKDGSLUQN-QHCPKHFHSA-N 510.119 6.859 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331331273 ZUOHPOFJMAWHKD-IQMFZBJNSA-N 501.564 5.085 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 2331396308 KFCAYIXMZKYVBT-UHFFFAOYSA-N 519.626 7.167 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCCc1ccccc1 2331443633 ASWYDWYFJXBWGE-UHFFFAOYSA-N 507.442 7.811 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 2331484696 YZKXNHIHJQCRFQ-UHFFFAOYSA-N 513.457 7.060 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)c(Br)cc1F 2338720570 SBVCBOXEGZKJMO-SECBINFHSA-N 540.250 5.937 50 10 KKGE ClCc1cc(Br)c(OCc2sc(Cl)cc2Br)c(Br)c1 2345952151 NWTBCNFARVTYMZ-UHFFFAOYSA-N 509.872 7.007 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Cl)c(Br)c1 2360426684 NSSNFRMRVJTBSV-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1Br 2365197006 RVMOITOATGCCRW-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 1790188 AKHBLMOVUQMKHU-FNBPXTNNSA-N 556.844 6.307 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38656059 IZAUPUSBOBESFH-YHAMSUFESA-N 523.416 6.708 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCC(C)C 38684126 AUBJFQQZKAQLMQ-AREMUKBSSA-N 504.970 5.821 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)sc2c1 38687042 XAQONYNZWREDQQ-RUZDIDTESA-N 515.034 7.424 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 59335201 YSNYONIAKKURAS-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE CCCCN(CCCC)CN1C(=O)/C(=N/NC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21 96022529 LACIVVAWOHMQSJ-VEWQFJOQSA-N 571.560 5.987 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Br 101135215 DGINKIOIQDKPBH-UHFFFAOYSA-N 561.867 6.583 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244632 NKPJGMPBPNUAGF-GFPZRUSRSA-N 557.981 6.432 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246454 BTWHKFAYEIGBIF-LZHZFTAVSA-N 511.647 5.939 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101293500 DCDFUJUEIGGVTB-WJOKGBTCSA-N 565.025 6.921 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340691 ICDOJHGPIMJQNQ-WGOQTCKBSA-N 535.003 5.994 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 101367438 WRSVUFVNPSVHOK-PLTNMMHCSA-N 566.585 6.004 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101368064 CNDJASDTNPWOBN-ADXZGYQBSA-N 546.595 5.994 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101368837 CWOJOKSZSSXKMT-DEOSSOPVSA-N 576.230 5.967 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101371976 ZFWWUWWLRXLHEJ-HXUWFJFHSA-N 546.448 5.373 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381660 UTSUZDJLJWEHMG-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383608 LNFVYOFCLPBEIW-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384556 QLCXXHBETOVBKC-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385330 ARSNORQSHLCWCJ-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387205 WYLQCANEMBUDKN-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387617 HBNQHMPDVHSZHA-YTTGMZPUSA-N 546.623 6.719 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1Cl 101392401 OIBHLKZCBKKMIN-MUUNZHRXSA-N 559.449 7.763 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101392789 OSAURNRJJXPAPB-SANMLTNESA-N 575.415 6.348 50 10 KKGE CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 102892915 VCEOWDUHLLZEIF-UUYOSTAYSA-N 609.420 6.222 50 10 KKGE COc1cccc2c1NC(=O)/C2=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103742081 QZUITLFHTPCGOK-UHFFFAOYSA-N 513.617 5.527 50 10 KKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=N/NC(=O)C(=O)Nc3ccc(I)cc3)c2c1 103913916 HYNUOIGYJYTFHF-MZJWZYIUSA-N 536.373 5.145 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566519 STQNSGBKSBLEMY-PLRJNAJWSA-N 556.354 5.333 50 10 KKGE O=C(NCCCN(C(=O)Nc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1)[C@H](Cl)c1ccccc1 108187908 HRXBRITXTGSXIV-MUUNZHRXSA-N 548.470 7.657 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 110556823 WPHUISBPWHMMOO-LKUDQCMESA-N 581.698 5.658 50 10 KKGE CCC[C@H](Cl)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920691 DCIQOWDTOXIBKI-YSQKDFNPSA-N 505.227 9.347 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 150430796 AOMACSJAHTXTBJ-MDUPQVTGSA-N 728.321 5.536 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COC(C2CCCCC2)(C2CCCCC2)C2CCCCC2)O[C@H]1N1CCC(=O)NC1=O 204906836 NXFLDYPAAWUSED-PMFUCWTESA-N 620.948 6.901 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 206544732 XLCMBWJPTIGEJR-BKFIETJDSA-N 536.584 5.975 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 215781178 LAVSLNMQPNHPSL-LBJNWUCPSA-N 697.001 9.876 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1csc2ccccc12 232482386 WMNXLAWWUGPSJP-HNNXBMFYSA-N 508.016 6.753 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254383403 WOXAIMAWBCAKCL-UHFFFAOYSA-N 514.710 8.519 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1 254391825 YPOQTIKMAYJKTC-UHFFFAOYSA-N 534.641 5.694 50 10 KKGE N#Cc1c(NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)sc2c1CCCC2 254760343 WLVRDEKRKYCJIC-UHFFFAOYSA-N 526.593 5.459 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2OC)cc1 254836030 LXJJDSUIXZKFOB-UHFFFAOYSA-N 621.712 5.299 50 10 KKGE C/C(C=NNC(=O)CNc1ccc(C)cc1)=C/c1ccc(/C=C(/C)C=NNC(=O)CNc2ccc(C)cc2)cc1 254877635 YOJAOIFOIXVWSI-XCWCTGSESA-N 536.680 5.538 50 10 KKGE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019087 KDAVEEPAYKNWAB-CIQZPUONSA-N 678.090 8.582 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616584502 CTSJCYTVMZRHRS-QYVGTDGTSA-N 831.036 8.915 50 10 KKGE COc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(P(c2ccccc2)c2ccccc2)c1-c1c(OC)ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1P(c1ccccc1)c1ccccc1 642814194 PPDZFNZRVPNXQB-URHXEDJNSA-N 891.126 12.566 50 10 KKGE CNc1ccc(C(=O)N[C@@H](CCSSCC[C@@H](NC(=O)c2ccc(NC)cc2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 725239883 IESYFPWLMGBRNB-WMPKNSHKSA-N 646.876 5.512 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 725421697 SFPXFXQXCZULPW-HMAPJEAMSA-N 543.417 6.744 50 10 KKGE CC1=CC(=C(C#N)[C]2Nc3ccccc3S2)C=C(C)N1c1ccc(-c2nc3ccc(C)cc3s2)cc1 1082789779 WIYNUHNXSPBQRL-UHFFFAOYSA-N 503.676 8.427 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084147050 NJQWREXZQUZZEO-UHFFFAOYSA-N 690.016 5.881 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 1084199338 UXPHIDLRIMJTTE-JOCHJYFZSA-N 519.798 5.785 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084219390 WNHJHKBVDFLUCE-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)c2ccc(C)cc2)cc1Br 1084300515 MIFQYNSNDZRDKV-UHFFFAOYSA-N 649.567 5.754 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084304873 BIONRPAGHNNTSF-UHFFFAOYSA-N 502.310 5.283 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 1084371129 AFUUDQSNKYMRIU-RUZDIDTESA-N 662.322 5.867 50 10 KKGE C[C@H]1CCCCN1C(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 1084538194 SUSSYYIKALTCMY-PBXDPIQXSA-N 525.472 5.090 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2C)cc1 1084614654 BDPALJUBYSNPMD-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](F)[C@@H](n2ccc(=N)nc2O)O[C@@]1(CCl)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1615773749 KECWVZJKGKVMCV-WPQKMFINSA-N 646.352 5.880 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1OC 1772747047 KLPFZYGBYCJAFH-UHFFFAOYSA-N 551.643 5.715 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681541 PZXWTUNDIQZICF-SANMLTNESA-N 502.530 5.330 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865691342 PUGNVDSRPLFFDN-AREMUKBSSA-N 525.008 6.043 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865692226 DCTMVTFCQWQDSB-DEOSSOPVSA-N 530.987 6.016 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865701145 NAWKFROKQNFXSW-MHZLTWQESA-N 575.496 7.319 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702023 KVRBWNUTEIQLLV-OAQYLSRUSA-N 518.346 5.063 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706425 WJBSAKLEOJSCOB-MHZLTWQESA-N 516.557 5.633 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865707379 VPCGHNORJAVKHH-MHZLTWQESA-N 500.558 5.928 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707477 XSKRPNZPIDNLQG-SSEXGKCCSA-N 517.677 6.437 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865709053 MLUWRFZCQLVZJS-MHZLTWQESA-N 543.668 5.214 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 1866126771 NDFSYSXFFDHRHB-GZTJUZNOSA-N 500.356 5.690 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866767108 DHIMFUKYBHZBAM-SVBPBHIXSA-N 515.679 6.073 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005993 OWOADAUGZDVMCL-SVBPBHIXSA-N 534.081 6.259 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Br)c1 1867209112 FROJQHAZJYJOGO-JWQCQUIFSA-N 536.495 6.648 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)cc1 1868414426 MEMVCGJCARAMRE-UHFFFAOYSA-N 544.080 7.170 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CCS2)cc1 1868454944 XDVNELWCCUBLML-VWLOTQADSA-N 529.666 6.903 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OCCC)cc4)cs3)CC2=O)cc1 1872749339 MSFJBQZQLGTYAF-AOKXBXCXSA-N 501.652 6.787 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1F 1872792059 BXZHMUBZZBRYFM-HZHRSRAPSA-N 500.595 7.042 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 1872792531 DTXHKQOVHUWXIY-KEBDBYFISA-N 511.485 7.668 50 10 KKGE CCn1cc([C@H](Br)c2sc(Br)c(C)c2Br)nc1Br 1922907606 WBVCLXUHIFYIHU-QMMMGPOBSA-N 521.898 6.045 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(I)c2)c1Br 1922946411 QTIYGZAOMBDHIW-JTQLQIEISA-N 550.879 6.670 50 10 KKGE CS(=O)(=O)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924600051 BBVVPKLGNGVWSH-JTQLQIEISA-N 523.493 5.767 50 10 KKGE Fc1ccc2cc([C@H](Cl)c3c(Br)sc(Br)c3Br)sc2c1 1924602579 ZDOUHCXKMUGQNG-NSHDSACASA-N 519.480 7.718 50 10 KKGE C[C@@H]1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924614782 RBAASUMLMDJJDP-HCVRKRLWSA-N 525.926 6.675 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1F 2025779657 KGMHMPFIZRVKGX-PFZYVWIYSA-N 514.252 6.765 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012755 KJASBUNXPWZRDN-PMZODAQWSA-N 714.752 12.441 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061009499 XMSCGAAHYUJGLL-JAGXHNFQSA-N 523.910 6.429 50 10 KKGE CC(F)(F)CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494666 NCJGTVGCGQCXLD-SSDOTTSWSA-N 534.258 7.452 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(I)sn2)c2ccccc12 2120034805 ZTLUSCADPQVRTR-CQSZACIVSA-N 509.004 6.148 50 10 KKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(Cl)c1Cl 2138627930 NQGJYHWENOHLKX-MRVPVSSYSA-N 509.872 7.073 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 2138854807 URLNYHQSIAZUIO-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE CC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469157 SBMBKIUHPKSCNW-JTQLQIEISA-N 592.736 7.854 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141472403 CZANJVIBQXKYPL-CHWSQXEVSA-N 584.766 6.989 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)c(F)cc1F 2142288502 SDFNHRUFAGUORC-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Clc1cc(CC[C@@H](Br)c2cccc(Br)c2)ccc1I 2142941789 YIODYKZJPNODKZ-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Cl)c3scc(Br)c3Br)cc(Br)c2O1 2146624202 YSENLSAILJKZFT-SREIQFSDSA-N 501.465 6.687 50 10 KKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(I)c(Br)c1 2150546408 FRHJWUDZSVBNKP-OAHLLOKOSA-N 515.027 5.127 50 10 KKGE Clc1ccccc1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405749 POMSGDXQISCAPY-LLVKDONJSA-N 566.740 7.913 50 10 KKGE CCOc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2207273518 VITZKTZESQWKFB-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2234061581 VIBXBNVLTYSKMN-GOEBONIOSA-N 511.689 6.698 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2I)c(Br)c1C 2253505170 OXKBQYSOPVKKIM-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(F)cccc2I)c1Br 2255901148 KENGJTZDNBLBAQ-SNVBAGLBSA-N 568.869 6.810 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1I 2269541782 JCORGBDRRBTGEE-CQSZACIVSA-N 607.849 6.151 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC 2295176399 BMIJUJZZKFKXRN-UHFFFAOYSA-N 564.425 6.192 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 2295489451 BKJVBWMDSBMRFB-UHFFFAOYSA-N 557.994 5.495 50 10 KKGE N#CC(=CNc1ccc2oc(=O)ccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295948616 WXWNHRFTCKUDQG-UHFFFAOYSA-N 518.348 5.762 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1 2313738900 XGPAAOIYOQQGPB-UHFFFAOYSA-N 511.361 5.533 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1Cl 2314500017 JBUFXEIWRMKWBF-OAHLLOKOSA-N 505.037 6.553 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618238 KAVPBWMFNDNGGR-SANMLTNESA-N 536.632 5.408 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2314640752 WAKNJCMSDXTMDC-JGCGQSQUSA-N 583.471 7.718 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2314643324 QHBWBUBSRVJDEL-MGBGTMOVSA-N 629.496 7.427 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646661 ILSLPQYXJCCJFI-PMERELPUSA-N 610.695 5.609 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646910 UIADCKSTNXOYLI-SANMLTNESA-N 595.080 5.109 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314647009 YWBUDWCHIOSEKV-PMERELPUSA-N 676.795 5.952 50 10 KKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)NC(c4ccccc4)c4ccccc4)cc3)sc2c1 2324834569 WATKKOGWHGCLAS-UHFFFAOYSA-N 500.627 6.997 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331256755 XWBSSJBTSIOZDD-XMMPIXPASA-N 517.676 6.363 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)c(C)cc1Br 2338705474 NTICTTZWLYSXMN-JTQLQIEISA-N 515.869 5.809 50 10 KKGE Cc1cc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)ccc1I 2360437252 QSFYCXWIUUQXOH-CYBMUJFWSA-N 508.383 7.136 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)ccc1I 2360491320 FYLYYVYJORKRBD-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE Cc1cccc([C@H](CI)OCc2ccc(I)c(Br)c2)c1 2377621243 FSXJZXFMDWVPKV-INIZCTEOSA-N 557.007 6.055 50 10 KKGE Cc1ccccc1OCCn1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21 6444198 ZXUMHVCHECIYEZ-XLNRJJMWSA-N 505.603 6.197 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 13978026 AMLAOIWYZQMFLM-UHFFFAOYSA-N 518.633 5.003 50 10 KKGE COCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)C(=O)C(C)(C)CCl 16463559 KSSGMHMBCBSMCR-UHFFFAOYSA-N 516.126 5.328 50 10 KKGE COc1ccc(/C=N/NC(=O)C(NC(=O)c2ccccc2)=C(C)C)cc1COc1ccc(C(=O)OCC(C)C)cc1 33355942 ILVUUPVWXUMNHF-DPNNOFEESA-N 557.647 5.261 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 38605488 MEMYWQKKZWYIEZ-WGOQTCKBSA-N 508.622 5.885 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655581 QJYFZXKJUWIBQW-SGANQWHYSA-N 509.389 6.147 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 38686253 UWTKTBIENWVPPS-PMERELPUSA-N 518.569 6.020 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38687523 IYZQGUXTQJWPAW-HHHXNRCGSA-N 508.574 6.584 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc(C)c1Cl 40814648 NAWFLTQOEWFDIF-VFCFBJKWSA-N 509.946 5.385 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 58894893 XCWMCDAQHGRYPL-DVMDLWDRSA-N 529.008 5.819 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 59224719 OSNNXRKAKXFSHB-ODLFYWEKSA-N 504.373 5.948 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O 59680000 QYJFXFUKMNYIGV-LQKURTRISA-N 504.384 5.693 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1c[nH]c2ccccc12)C(=O)CCl 97914382 JCFWCPUOXNUXOZ-KXVHNFKESA-N 500.470 5.867 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101338023 OZYVQZBZJVOMFT-NJZRLIGZSA-N 534.619 6.527 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101339396 YSTYLMFDAKILKU-CVKSISIWSA-N 559.582 5.557 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 101339680 RQWLBOAAXWRXPK-AFUMVMLFSA-N 576.584 5.598 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Cl)c3)C2=O)cc1 101339852 QPATUIJRQVFNEL-CVKSISIWSA-N 565.029 6.002 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369281 UKSILYWGCKUZJP-HHHXNRCGSA-N 529.379 7.223 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCC(C)C 101374186 MTUYJUDWKUNOOR-AREMUKBSSA-N 549.421 5.930 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379636 WUURJYHIFACZPM-SGAQFYMRSA-N 569.444 7.409 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387761 CUCVJBADSRPYQD-XIFFEERXSA-N 576.649 6.809 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388445 JHBZSKFEALKHCW-JGCGQSQUSA-N 583.040 6.520 50 10 KKGE CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C(\C#N)C(=O)OCCCCCCC)c2ccccc21 101390962 YIGKKRFQVBXTJG-ZTZWVNFCSA-N 560.867 10.849 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399172 ZGVIFPRYLZAVJB-HKBQPEDESA-N 593.035 7.420 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 101406025 UPFMOABEDYOACQ-GPMZVODXSA-N 625.106 5.118 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603552 VPQMOZWISZOBMW-MTDXEUNCSA-N 582.225 6.222 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613349 FMWVTPRBFRNAQX-GZZLJNBRSA-N 528.008 6.640 50 10 KKGE COc1ccc(C(C)(C)C)cc1NC(=O)CS/C(Nc1ccccc1C)=C(/C#N)c1nc2ccccc2s1 102930962 ZNOUXYDPJLSDCE-HFTWOUSFSA-N 542.730 7.587 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741402 HWZSVZPFZOZJGN-KETZHDHUSA-N 526.239 5.745 50 10 KKGE COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103797551 JIOQWGVMTWRCOC-KBVAKVRCSA-N 623.447 5.382 50 10 KKGE O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)cc1 103880481 XYBRGAUYPCOPAF-LGJNPRDNSA-N 540.313 5.079 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Cl)c(Cl)c1 104953514 MZWKADUHHBSSGW-WJDWOHSUSA-N 522.215 7.433 50 10 KKGE Cc1ccc(NC(=O)/C(NC(=O)c2ccccc2)=C(/Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 108672721 GGOBWJQPNKCLBW-ULIFNZDWSA-O 576.056 6.766 50 10 KKGE Brc1cc([C@H](Br)c2ccccc2I)sc1Br 128199811 JYCLHNCROYOGER-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 150431758 YUCNXIDOSDFFSD-SSEXGKCCSA-N 635.475 7.556 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1 150433591 RIZFVKQPLUWYHI-JGCGQSQUSA-N 631.512 7.807 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497428 QYUIEEULNMQSRL-KBVAKVRCSA-N 679.991 8.871 50 10 KKGE N#CSc1cccc(-n2c(=O)c3ccc4c5ccc6c(=O)n(-c7cccc(SC#N)c7)c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)c1 150653640 AXMXHZAKIVTXGG-UHFFFAOYSA-N 656.704 7.088 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 164017027 MWWJGRVANRAZFW-ALQBTCKLSA-N 651.730 6.003 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205657525 GTPGSSHUSLFYEQ-KELAWDMXSA-N 524.617 6.491 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205659698 PXQGULNPZJSMPL-QVBDUPRKSA-N 510.590 6.101 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214408020 WOWGGURTVFJSEZ-QRQIAZFYSA-N 548.643 6.583 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1 232482625 SVWCNUDCTWZZCX-JTQLQIEISA-N 568.748 7.282 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1cc(Br)cs1 254612799 MKWUMJSXFYCJHK-UHFFFAOYSA-N 502.825 5.575 50 10 KKGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)c1O 254875999 CIQHFMRISAPLPX-UHFFFAOYSA-N 559.692 5.587 50 10 KKGE Cc1cccc2c1nc(CCl)n2-c1cc(I)cc(I)c1 690393375 QYXGZXKCMNAMKQ-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE COc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)cc1OC 705463025 JBWRXLMYOXMCLS-NSHDSACASA-N 549.904 6.537 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3scc(Br)c3Br)c(Br)cc2N1 705464202 MPJXDTZZAJQJCB-LLVKDONJSA-N 544.888 6.015 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cccc(I)c3)c2O1 720048968 DMRCBVRIMDWKEI-PSLIRLAXSA-N 507.991 5.861 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721613363 LIYJUTVYDKPTKD-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 725385131 UVMDCUPFLGSTJY-UHFFFAOYSA-N 643.991 6.254 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725435278 ILWFTIRYEXCNMT-UHFFFAOYSA-N 603.959 6.396 50 10 KKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c(C[C@H]4CC(c5ccc(OC)cc5)=NO4)c(OC)c4c(c3OC)OCO4)c(-n3cccc3)c12 1081098355 OYCSGRGQZBPCGK-DEOSSOPVSA-N 697.770 5.796 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2cc(Br)ccc2o1 1083964158 CBHBPPQPEQWTJP-UHFFFAOYSA-N 607.096 7.063 50 10 KKGE Cc1cc(C)c(OCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)c(C)c1 1084170470 KSBGXFLIHKVGRI-UHFFFAOYSA-N 553.400 5.196 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2cccc3ccccc23)cc1 1084207060 YCQKZPSKFIWZHU-UHFFFAOYSA-N 535.647 7.949 50 10 KKGE Cc1c(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 1084273268 HYSDCIUEYHERLG-XNTDXEJSSA-N 578.102 6.927 50 10 KKGE COc1c(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)ccc2ccccc12 1084303321 NIRQCNLSBVIQBL-UHFFFAOYSA-N 561.379 5.668 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084391639 CEAKJZSKWPGKOM-FYJGNVAPSA-N 554.847 6.076 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084410904 ZAMKZJQGPVHFMG-LJAQVGFWSA-N 652.529 6.785 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1084604995 FYNSXYXRLVLMGL-UHFFFAOYSA-N 537.153 5.647 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)/C=C\c1ccccc1 1084610110 KANLIDAOHKYKKQ-PQCPEEMJSA-N 533.584 5.720 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C/C(=N/NC(=O)c5ccncc5)CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 1614465137 LTANJFVUAIWDNA-NGCKRBIRSA-N 526.685 5.391 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743978 NHCAYTJNLIDKFB-UHFFFAOYSA-N 517.379 6.193 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2c(Br)nc3c2NC(=N)N[C@H]3OCc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848436102 WZONGDXIZTUQFZ-FUCAVZNHSA-N 666.810 7.511 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc2ccccc12 1865682798 XUJOQZIGAVKMJV-AREMUKBSSA-N 506.968 6.762 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865691065 IKKHYOCDILGTBB-MHZLTWQESA-N 522.605 5.954 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865692026 HOLLXGJKIKLARS-RUZDIDTESA-N 565.512 6.361 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694729 ADZSGHYVEDSPJM-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865695473 DCVMMTRUIHSJTN-MHZLTWQESA-N 500.643 6.319 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697586 XHUCFFSYQZNBBJ-JOCHJYFZSA-N 539.430 5.221 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702599 XQGKUONPXYPFGQ-IBGZPJMESA-N 505.750 5.406 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702768 FAYRNVAQSUJCLA-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865708707 DCLDKUZFSAZDPZ-QHCPKHFHSA-N 557.404 5.315 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865708994 KXTSBXXXRGPEHX-MUUNZHRXSA-N 557.695 5.460 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C)c1-c1ccc(Cl)cc1 1866215319 NUFMDYPERMIEAH-HMMYKYKNSA-N 525.026 6.125 50 10 KKGE C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866821283 ZPRAMQRZSHIJPM-UGOOHZPOSA-N 522.095 6.373 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041289 YRCYLXFVNPTIJI-VXKWHMMOSA-N 557.539 6.314 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCCc2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867123959 JZQTXBFFZUCKRH-AREMUKBSSA-N 536.053 5.527 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)nc(-c3ccc(F)cc3)n2)cc1 1868455746 AXSKSSXJQCHOLA-HKBQPEDESA-N 547.634 7.891 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)n2)cc1 1868544438 FQKPSXHIQXETJD-MHZLTWQESA-N 549.748 7.701 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872749219 HHLDCTCCGTZRBT-FSXJBPCSSA-N 519.848 7.275 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1 1872753285 PMJVYIHEOGTPJP-RFBIWTDZSA-N 511.087 8.465 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)c1 1872792775 QJEABSYLPCCROJ-OVCLIPMQSA-N 501.402 6.148 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941094 VZRIWIQWIPCNKW-QNPMFDGYSA-N 506.765 6.394 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c1Br 1924569182 RDAOJYHCETVRFP-RXZCWKOFSA-N 519.922 6.764 50 10 KKGE CC(C)Oc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924601825 ZVSJVHRJLUOGDJ-LBPRGKRZSA-N 503.481 7.151 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1950757291 IXCQEFQTXNAOMB-KUCRYNDESA-N 521.816 6.670 50 10 KKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2008185015 ACNCJEBJXSRGGJ-FTIXTOIKSA-N 517.853 6.763 50 10 KKGE Cc1ccc([C@H](Br)c2csc(Br)c2Br)c(C)c1Br 2032958723 KYDJDJPAIAJQMR-NSHDSACASA-N 517.906 7.137 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@]12C)C(=O)O 2070251911 JWRWEXWCMXUMDC-DBGAYTOJSA-N 562.908 7.425 50 10 KKGE CC(C)(C)[S@](=O)N[C@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12 2080747909 SRAPNYODFICLFE-QQLMSYFVSA-N 565.675 6.468 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)c(Br)c1 2092331806 XZOMLUDFSARNKJ-ZDUSSCGKSA-N 513.849 6.467 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(C)nsc2Br)c1Br 2136373662 DUQQUMMJKYPPKS-LBPRGKRZSA-N 532.921 6.840 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3C2)c1Br 2141469291 ULIBCUHQNJFEFP-FLNNQWSLSA-N 580.778 7.609 50 10 KKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2207146421 YAEQDMPHIYKYNI-NXEZZACHSA-N 598.837 8.779 50 10 KKGE Clc1cc(C[C@H](CBr)Cc2ccccc2Br)ccc1I 2208047363 ZXYYKWQRMLUROH-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE Cn1ncc([C@H](Br)Cc2ccc(Br)cc2Cl)c1I 2221699554 JLHRRWOVMUXQKL-SNVBAGLBSA-N 504.391 5.119 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c(C)c1Br 2235606819 DQXSFUJODLQNLA-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE COc1sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277890462 DNBBMLDCCNPRDS-JTQLQIEISA-N 533.905 6.723 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1Br 2279056610 PTXVKVZIFZLTFC-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 2293735607 XAZLYKVTFSYKJA-UHFFFAOYSA-N 554.488 7.544 50 10 KKGE CCOC(O)=C(C#N)[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501767 ZGOAHPRMVIRWKL-DHIUTWEWSA-O 527.826 5.683 50 10 KKGE Cc1cc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Br)cc3C)o2)ccc1Br 2313549135 NYCVNPBKLPVEDF-UHFFFAOYSA-N 500.190 6.634 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313566977 FNTVOZFIZNNYBJ-UHFFFAOYSA-N 591.462 5.591 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 2313568440 SIBOIVDVXYKSRM-UHFFFAOYSA-N 699.124 7.091 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571102 NKDAJUIFDLBEPC-UHFFFAOYSA-N 580.649 7.232 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3nc4ccccc4s3)o2)sc2c1CCCC2 2314487481 REJHQMMTTBDVHL-UHFFFAOYSA-N 503.605 6.219 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314610420 IDMTVOQWWBJGCR-UHFFFAOYSA-N 563.057 6.774 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314610745 LWBOXNRAPRHVLK-UHFFFAOYSA-N 605.138 7.944 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314617411 XVSGYZYDYIVNBG-UHFFFAOYSA-N 624.672 7.058 50 10 KKGE FC1(F)C[C@@]1(CBr)COc1c(I)cc(I)cc1I 2326813334 BXXXUXATRNMFPF-SNVBAGLBSA-N 654.796 5.300 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)cc1OCCC 2331293208 GTOCFZYLXIIJGS-UHFFFAOYSA-N 503.580 5.477 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C)c(C)c5)cs4)cc3C2=O)c(C)c1 2331382624 OWPJOQXDCSJQSA-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 2331385516 KZPSFFQOGOADSD-LJQANCHMSA-N 503.624 6.016 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCCCc1ccccc1 2331424834 JKURCXKUSCPYJD-UHFFFAOYSA-N 521.469 8.201 50 10 KKGE Cc1c(Br)sc([C@@H](Br)[C@]23CCC[C@H]2CS(=O)(=O)C3)c1Br 2357952207 QZQQPUCLGPMHAU-KDDOJWQBSA-N 507.107 5.232 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1Br 2365178561 KJDREGUUGFVSAI-LLVKDONJSA-N 529.867 7.100 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(F)cccc1I 2365228487 PWQQEVKKNILJPD-LBPRGKRZSA-N 580.830 6.887 50 10 KKGE Fc1cc(F)c(CBr)c(OCc2ccc(I)c(Br)c2)c1 2377642299 PYDDHLOWTVAOKR-UHFFFAOYSA-N 517.933 5.806 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2381304578 SSTRZAKQGVXKKO-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE O=C(NN=Cc1cn[nH]c1-c1ccc(Cl)c(Cl)c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 2097239 DBYIRLQXIPQSKB-UHFFFAOYSA-N 508.196 5.699 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12563804 DDEVXVWMEGGRSB-BNIPGBBVSA-N 516.988 6.236 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C 14648307 FYAKANKPMBHFNO-UHFFFAOYSA-N 518.452 5.205 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CCCC2 33568451 KSMNORMFJNDTMI-WYMLVPIESA-N 515.418 6.916 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38700431 BFMJRHVYACBDJU-XMMPIXPASA-N 501.007 6.863 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38701431 SEQNLLSYQDPQGK-WUFINQPMSA-N 512.562 5.219 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccccc1C 40951036 SUUCUUOQEVVXMR-WKULSOCRSA-N 525.443 5.998 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1 59333258 KUARZTOYGPWWNU-LGUFXXKBSA-N 508.578 5.158 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C1 101014177 NQJVJZDNONBYCG-FCBRYHHASA-N 562.699 6.146 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242509 NJVQZDVZMZJVME-YHECHFPNSA-N 542.444 5.728 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 101339719 OTYSDXCUPSONAT-JVWAILMASA-N 604.638 6.378 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C2=O)cc1 101340113 MHLDJNGIPYFENA-TURZUDJPSA-N 514.585 5.383 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383415 OQZUOFVUXADHBH-HKBQPEDESA-N 587.459 7.083 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101388013 ZRTPBOTVQPGXCM-XIFFEERXSA-N 546.623 6.339 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390925 IJOLADGDDCAENC-NDEPHWFRSA-N 573.432 7.018 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101396816 WIDBFMVKUDVODQ-RUZDIDTESA-N 539.415 6.618 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101398078 BUVZFOIWNLQNGR-KYJUHHDHSA-N 532.552 5.229 50 10 KKGE C=CCc1ccccc1OCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc(OCC)cc3s2)cc1OC 102471159 HCLZEGFZZLWIKX-QJOMJCCJSA-N 555.656 6.436 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCC 103632721 LSYRUNGUYFTWDJ-UUWRZZSWSA-N 615.424 11.403 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 103742405 DVXZWAZNHXJXBL-CTHAODRQSA-N 542.875 6.389 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 103806490 UJKHBXHLJSKXES-AJBMTWKMSA-N 575.628 5.392 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C\c1cc(Cl)cc(Cl)c1O 105422487 OFJWYNOYRCSLOU-RAWMCFOBSA-N 547.247 5.351 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)cc1Br 134300011 RFNQNPJKRMRUFI-LBPRGKRZSA-N 549.904 6.537 50 10 KKGE CO[C@@]1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC 196507158 RSCYVRLLTJPYTP-WKKVWOBLSA-N 572.622 5.761 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 206396666 YYEYXQNIWKWGPJ-SKJNDHNRSA-N 544.607 6.116 50 10 KKGE Cc1ccc(COc2ccc(/C=C/C(=O)Oc3ccc(/C=C(/C#N)C(=O)NCc4ccco4)cc3)cc2)cc1 206745447 AKQOEYFSYQNJTG-CHWPTGCMSA-N 518.569 6.009 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 214291189 OZUMQQCGPMHAAN-UQQQWYQISA-N 542.611 5.486 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214347055 SLBUXSIVQLITTF-JDCMOKTRSA-N 570.693 6.862 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)c2ccccc2)cc1 226845427 URDTZYYSLOPJPU-XZWHSSHBSA-N 562.651 5.045 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 234912432 ZRPCWEYBJLJNDJ-NSHDSACASA-N 537.868 6.668 50 10 KKGE Fc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(I)c1 236181897 MPCPEYVIIWAUDZ-CQSZACIVSA-N 526.006 6.892 50 10 KKGE CCOC(=O)c1ccc(N=Nc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 254478266 SCNQRTICGRXZMJ-UHFFFAOYSA-N 529.600 7.773 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(Br)ccc1OCc1ccccc1 254736859 HXIFMGDGDSIPPH-UHFFFAOYSA-N 583.074 6.023 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccc(OC)cc2)cc1 254761372 XGKICLOBGYEXOQ-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)C(Cl)Cl)CC[C@@]34C)[C@@H]12 254770471 FFSDQBPIYFOSQY-FUVJBUCZSA-N 539.672 9.459 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025130 OGHUVJCTSYYAOG-HNKZIFTFSA-N 672.671 11.271 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(Br)c(O)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 256836026 XZYGEGFEDTXIDM-IXDOHACOSA-N 535.628 5.411 50 10 KKGE CC[C@@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 575229556 YZUJIMXHROAZNZ-GORBQNDLSA-N 518.811 7.225 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2cccc(F)c2)[C@@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 888085669 CAVKYMAXMVRYGQ-MDOFDWFASA-N 716.974 10.041 50 10 KKGE CC1(C)COC(CC[C@H](C(=O)N2C(=O)OC[C@H]2c2ccccc2)[C@@H](Nc2ccc(F)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccc(F)cc2)OC1 888086368 ILUMERHNJVSKQE-IGMOWHQGSA-N 770.990 10.545 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1083920230 TYPJXZCHYUPHTN-UHFFFAOYSA-N 578.834 6.085 50 10 KKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc(Br)cc1 1084041841 HZWNVQHDNQMESL-UHFFFAOYSA-N 510.391 5.719 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084059858 WQTSWEUHUKUENW-UHFFFAOYSA-N 633.985 6.799 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 1084089847 VYWRLGRVFSDOHD-UHFFFAOYSA-N 592.117 5.486 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1 1084094505 SKFMQOAVLGRWOW-VGOFMYFVSA-N 592.602 5.123 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccccc1Cl 1084096067 HXGNBLHDRFRNEY-UHFFFAOYSA-N 517.969 5.927 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(F)cc1 1084379254 CWKIUWVVHHUIBV-CXUHLZMHSA-N 505.760 6.919 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084415604 DDPVPGQRKSFHME-CXUHLZMHSA-N 577.218 6.797 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084517814 KNSFWYLSPNEHFK-MHZLTWQESA-N 596.478 6.027 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1Cl 1084590166 QHFIUAGUSCOJFE-PMERELPUSA-N 543.092 6.286 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@@H](NC(=O)c4ccccc4)N(C)C3=O)[C@@H](OC)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1565534956 LCLFYBGFFZSQOB-NZILMBCJSA-N 794.034 7.780 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754067 NJLOMDOFBUFVGU-UHFFFAOYSA-N 594.303 6.987 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683330 IXFZUUVBKJPWEB-AREMUKBSSA-N 504.977 6.573 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688207 MZZXAQDKKPRDJY-OAQYLSRUSA-N 527.394 5.108 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696709 QKHNBMWPBBIPOO-VWLOTQADSA-N 557.448 5.910 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701149 NHIGTRCITXLOPE-LJQANCHMSA-N 523.342 6.416 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865702566 WTQVEQIZQSFBHK-LJAQVGFWSA-N 511.629 6.757 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703150 OEBZFBYHABSDPZ-PMERELPUSA-N 550.659 6.338 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865703185 PHKNQHPHCFCBBS-VWLOTQADSA-N 514.988 6.398 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704839 FVMKFNXRWSQLTD-VWLOTQADSA-N 545.426 6.238 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865706915 IQVNQBUHKSNQJB-XMMPIXPASA-N 533.415 6.141 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866756952 QLLACPRRXGABJD-BDYUSTAISA-N 521.633 6.342 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c2ccccc2)cc1 1866876502 HTRUXKZBNPMIIL-UKILVPOCSA-N 515.664 5.094 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866995245 IYAARHAZFQSFPN-LEAFIULHSA-N 563.745 6.073 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1C 1868341949 FGNIVCYQRJFMEN-JOCHJYFZSA-N 501.656 6.260 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)n2)cc1 1868545539 ZCRPVVCWEVOOGZ-HHHXNRCGSA-N 556.135 7.989 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)ccc1OC(C)=O 1872759350 LFQGLWRLGHGODH-CRZNAYNCSA-N 508.552 5.276 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872781313 ADPZLTPAUYXOCR-LFVJCYFKSA-N 503.668 6.473 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872781343 ALKFLMBIHHZODI-YBFXNURJSA-N 513.457 7.223 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCc1ccc(C)cc1 1872782934 XSOZLFZZQURLAF-RDRPBHBLSA-N 514.650 8.437 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)cc1Br 1877174800 IINZSVMOOZETQK-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1sc(Cl)cc1I 1901947329 SYNUEGMLZHSPFL-UHFFFAOYSA-N 508.900 5.002 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1scc(Br)c1Br 1916369828 JEICQWQBRHMGAQ-LBPRGKRZSA-N 526.088 5.325 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(I)ccc1Br 1923066703 TYXGPNYDZNTKAB-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE Brc1csnc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605496 SDYVHBBFFUWLID-BYPYZUCNSA-N 575.765 6.739 50 10 KKGE CC(C)(C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924617242 ZSSILVAPXZVGNO-JTQLQIEISA-N 523.954 7.688 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2(Br)CC2)c1Br 1995048214 PLVODVIKUJUISK-VIFPVBQESA-N 605.582 7.100 50 10 KKGE CCOc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(C)c1 2079240226 IHXHJAKICOLUEC-UHFFFAOYSA-N 503.100 5.157 50 10 KKGE FC1(F)CCCCC[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2108667918 ZLIFSGKJWQXRCR-RCOVLWMOSA-N 501.456 7.531 50 10 KKGE Brc1ccccc1[C@@H](Br)CCc1cccc(Br)c1Br 2113441456 IENXYRYCRWBHIG-ZDUSSCGKSA-N 511.877 7.043 50 10 KKGE ClCc1ccc(Cl)c(Oc2c(I)cc(Cl)cc2I)n1 2125398071 UKNRIWYPKVERRI-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2nn(C)cc2Br)c1Br 2136366761 KZSZAIINGODTHL-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 2141469473 AUTANRWMKOGRQM-FWXDICJISA-N 583.782 6.561 50 10 KKGE CCCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141469546 BAFCVZJIEMGBRF-CYBMUJFWSA-N 538.343 7.987 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3csc(Br)c3Br)c2O1 2150345468 NDCAOZDMUOUBCR-KBUNVGBDSA-N 545.916 6.843 50 10 KKGE Cn1nc(COc2c(Br)cc(Br)cc2CCl)c(Br)c1Cl 2153000151 KDNGTEGVYLKLNG-UHFFFAOYSA-N 507.835 5.679 50 10 KKGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCCC[C@@H]1Br 2172546124 DLCRRTIGMWVDOJ-JSGCOSHPSA-N 515.027 5.222 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2202349704 AMFXXJNVPOJYJG-AWEZNQCLSA-N 548.294 7.120 50 10 KKGE Cc1ccc([C@H](Cl)c2sc(Br)cc2Br)cc1I 2213000555 MZZNQPAWIYHWRE-NSHDSACASA-N 506.428 6.514 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1scc(Br)c1Br 2218597255 KSZWECNFHYRBFI-VIFPVBQESA-N 586.738 7.422 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(I)cc1 2221696841 FTXPPMKZXWZMDO-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2224319236 DIMXORJXIFPZSA-SECBINFHSA-N 512.254 6.390 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cccc(I)c2)c(F)c1Br 2227805360 GCVMZNYOTBGWKS-LLVKDONJSA-N 505.897 5.955 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)cc1I 2232836521 IDERRVXTBAAAJO-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)c(C)c1Br 2235602500 DPEBDIYZPDCJFG-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2scc(Br)c2Cl)c1Br 2264596537 RZUIVTOWWMVDHC-LURJTMIESA-N 519.427 7.491 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293724508 SHWFPFKZQTULME-UHFFFAOYSA-N 555.704 6.157 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 2296507107 TWXNGZCVJCHIPT-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 2296727441 AZSNROACCDNKPR-UHFFFAOYSA-N 518.552 5.022 50 10 KKGE O=S(=O)(N=C(SSC(=NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 2297464033 RZFKFTQKHNPYKP-UHFFFAOYSA-N 710.516 7.564 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1 2313521285 CRZKKNMOYGGLCA-UHFFFAOYSA-N 572.830 6.695 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl 2313521471 QKJDLBXGQYPJCM-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670753 UFQTXFCUTJVQFF-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313676732 YMROSBYQAMYBCO-UHFFFAOYSA-N 535.349 7.536 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2314436791 FGJYSJVWIGWQKK-UHFFFAOYSA-N 587.423 5.137 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 2314475661 AAOFLQVKGLRXFP-UHFFFAOYSA-N 551.672 5.568 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 2314476825 WPHUISBPWHMMOO-UHFFFAOYSA-N 581.698 5.658 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593934 WCBSVFJFVABLPB-KPURRNSFSA-N 523.702 6.676 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314610810 MNWLUYOZMBTCLU-UHFFFAOYSA-N 549.428 6.094 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314616492 BZQBNGNQPRQTNZ-UHFFFAOYSA-N 604.710 7.806 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618041 GEYJNZXEBREPMD-UHFFFAOYSA-N 528.612 5.773 50 10 KKGE N#CC(=CNC1CCCCCCCCCCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324602951 CWYDQJOPKYEZRU-UHFFFAOYSA-N 512.742 6.591 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OC 2328824686 UFEDNPQQQKNHRV-QHCPKHFHSA-N 505.700 6.214 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663753 JSVOBSYFVMHDPC-UHFFFAOYSA-N 509.425 6.462 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 2331378593 FVLIQXFOEPFBMQ-DOTOQJQBSA-N 510.015 5.883 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 2331381037 AHUVDAWPLIBBAQ-UHFFFAOYSA-N 515.031 7.008 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c(OC)c1OC 2331382414 ZILNQKWYCYQWJO-UHFFFAOYSA-N 501.402 6.165 50 10 KKGE CS(=O)(=O)c1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361201912 WXFCQMBJKTVOBB-OAQYLSRUSA-N 510.247 5.916 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Br)c(Cl)c2)c1Br 2362220690 ODZBEMTYYWSMLY-LLVKDONJSA-N 570.703 7.904 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365595027 FTEIFHHIVKTQNP-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 35516822 RXDFEFNSLCKFGG-CYVLTUHYSA-N 512.547 5.836 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 38605484 SMLKSYPFNMZRSL-WGOQTCKBSA-N 506.606 5.661 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38608596 ASWPJGXCYNCEDF-MFKUBSTISA-N 526.564 5.604 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38686119 YCBLPBMHVDXPDB-GDLZYMKVSA-N 512.606 6.480 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 59676626 MRBBMPCCRUHYPO-HKOYGPOVSA-N 502.014 5.573 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc(Br)ccc3OCCC(C)C)cc2)c1 100189722 PVRCBFKMCYLBNT-UHFFFAOYSA-N 538.442 5.510 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 100235534 NXEZONZRXKYGEO-APTYXWLQSA-N 573.459 5.929 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 101013785 LTTZTYCNLUGICD-WDJAOUTRSA-N 581.698 5.191 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101368188 JLXKWBALIIMHDP-HHHXNRCGSA-N 563.994 6.263 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 101372039 SUIDVDKYGANVOH-NDEPHWFRSA-N 533.024 6.745 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101390768 RNOJFJPLDXVWTJ-MHZLTWQESA-N 528.992 6.929 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c(OC)c1 101392176 RPEBYYCBHZEPLV-XMMPIXPASA-N 533.005 6.318 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101394630 BZTADIRUBZTTHK-XMMPIXPASA-N 551.451 7.434 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398108 BHIGJCOLHYNJBY-WJOKGBTCSA-N 615.513 8.189 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2c1 101398537 UJXWBDANIWPRTB-YTTGMZPUSA-N 591.063 7.973 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)c1 102459606 HHYJBGJZTJBILD-OGLMXYFKSA-N 530.649 8.041 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 102666158 NLDGPVGMFYDRPS-BSSRNLCFSA-N 532.021 5.582 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741622 ZDSPKCAVXZRTKC-SCIJIFGBSA-N 522.399 5.653 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741834 VSESMOASXMDVGC-BSSRNLCFSA-N 611.359 5.997 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150483111 SJWLZBKUMOHTSP-MUUNZHRXSA-N 633.940 8.878 50 10 KKGE CN1/C(=C(/C#N)C(=O)C/N=C2C(=C3\Sc4ccccc4N3C)/C(=O)CN/2CCc2ccccc2)Sc2ccccc21 165942002 YWZIHKGMCDFDQE-WIKKDJEYSA-N 577.735 5.512 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214307012 YDIYTFNOCCZLIL-GTWSWNCMSA-N 604.682 6.665 50 10 KKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214345074 UFMCMTHVURCTKQ-FFAHCDIZSA-N 510.565 6.157 50 10 KKGE BrCc1cc(Br)c(OCc2ccc(Br)s2)c(Br)c1 232484725 YGXCDNQNOVKCNE-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 234817110 JFLUANBWLBLZFF-CQSZACIVSA-N 516.398 6.153 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 252621224 MVMWNRYZFUEMGT-UHFFFAOYSA-N 586.681 5.433 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(\c1ccccc1)c1cccs1 253570653 NWYGGEYBAGRYJI-QCWLDUFUSA-N 502.669 5.107 50 10 KKGE O=C(CCn1c2ccccc2c2ccccc21)NN=Cc1ccc(C=NNC(=O)CCn2c3ccccc3c3ccccc32)cc1 254383066 PCNGNFLUHZOKIZ-UHFFFAOYSA-N 604.714 6.983 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 254386353 RYGBTBAZCTXERG-SJTHWQIKSA-N 514.576 7.882 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254730425 RKWRWRLZRJIFTA-MMSUECENSA-N 574.456 5.651 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)[C@@H](Cc3ccccc3C)c3ccccc3)cc2)cc1 254832838 PXEYJOHSOBHURJ-LJAQVGFWSA-N 512.631 5.548 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)([C@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 256019861 IVEDHRPRGPGAKM-MVFXJRBUSA-N 670.530 9.027 50 10 KKGE CC[C@]1(C)[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 310663679 XQRSPMRUWHRKOO-DMDPSCGWSA-N 510.968 5.724 50 10 KKGE ClCc1sc(Oc2c(I)cc(Cl)cc2I)nc1Cl 384976171 MFNKLILNJZIWRN-UHFFFAOYSA-N 546.382 6.190 50 10 KKGE BrCC(CBr)(Cc1ccsc1Br)c1ccccc1Br 388763117 WMESTOAIEQEPJQ-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1F 398555964 BPTUNMWNUCQVCF-NSHDSACASA-N 537.793 6.876 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721583802 BTQUXMDPOFNYTH-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc(F)c1 1084211512 DPQVMLJOHBHLOU-UHFFFAOYSA-N 542.573 5.744 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084401803 UMZLKPMLEISZQR-UHFFFAOYSA-N 556.671 7.151 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)o2)Cc2ccc(Cl)cc2Cl)cc1 1084553187 NAVXWNCAZVUHSJ-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084610516 LATXMWAWKMCUDN-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE COc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CC(C)C 1772719861 GSFQPYIQNOUPNA-UHFFFAOYSA-N 557.448 5.810 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865687704 YIIONGOYIYRLJS-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865690820 BWKPEYFIXLHQDM-NRFANRHFSA-N 543.849 5.866 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccccc1 1865692246 ACDFTYSAEZLZNQ-NDEPHWFRSA-N 520.633 6.402 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865693725 QKCJQVUGQHSTHT-MHZLTWQESA-N 536.632 5.849 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696315 ZBRLWIQSNTUJSN-NDEPHWFRSA-N 541.051 6.261 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701048 KKQALKDKZBFXDX-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cs2)cc1 1866585976 OLSFMWJQPGXKND-MHZLTWQESA-N 528.659 5.642 50 10 KKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872746505 LDJCNWNJTVACRS-BZZOAKBMSA-N 503.421 7.187 50 10 KKGE Cl[C@@H](Cc1ccc(Br)cc1)c1c(Br)sc(Br)c1Br 1924593088 CAGNKWCNWZLGTO-QMMMGPOBSA-N 538.324 7.321 50 10 KKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2030214567 ZBCRXWBIBBYOOB-ZDUSSCGKSA-N 520.455 6.768 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1COCCO1 2085495434 KUYFMAJCDMMGFQ-CPCISQLKSA-N 528.260 5.432 50 10 KKGE CCC(C)(C)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495727 SEEUGJWWYCEKJP-VIFPVBQESA-N 570.783 7.999 50 10 KKGE CC1(C)C[C@@]1(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496448 WQTQYKATWGIQMX-YPMHNXCESA-N 568.767 7.609 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1Br)c1ccccc1Br 2092262199 XPJABNDEGSAROX-LLVKDONJSA-N 511.877 6.695 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1C2(CC2)C12CC2 2141468994 PZASNXBPCCSBTN-NSHDSACASA-N 534.311 7.207 50 10 KKGE Brc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 2148748452 CZNSRDRLEKRXRL-CYBMUJFWSA-N 572.860 6.235 50 10 KKGE Cl[C@@H](Cc1ccc2c(c1)CCO2)c1c(Br)sc(Br)c1Br 2168664435 ZLEAPGCVMYIIQX-VIFPVBQESA-N 501.465 6.493 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1C1CCCCCC1 2199985700 CSGAJFKTEFQWBF-BREBYQMCSA-N 505.541 7.922 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c(F)c1Cl 2201608842 RWJKKHGSAWWBNI-NSHDSACASA-N 601.248 7.232 50 10 KKGE CC1(C)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2216422251 VBZCEGJYKBRZLQ-WKEGUHRASA-N 509.927 7.093 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(F)c1I 2225617099 LVBORHJPEKBCRD-LBPRGKRZSA-N 566.803 6.579 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1ccc(I)c(Br)c1 2229141920 ANFPUVGRTMPEGA-GFCCVEGCSA-N 534.844 6.992 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1I 2232834772 WSCZBBTXMJIMJR-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)c(C)c1Br 2235612069 YTYAZAOMDMTATQ-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252791072 OUHJMDRVXOOMCW-CQSZACIVSA-N 518.087 5.956 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272722480 TZRJGXNXMMZYCV-JTQLQIEISA-N 539.859 7.107 50 10 KKGE CCn1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)n1 2277954232 CVMJUKHRGKLDMW-NSHDSACASA-N 515.869 5.869 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198313 SOIORIDFEMAAPF-NRFANRHFSA-N 577.287 6.092 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 2295976557 STFINIHJHINUAP-UHFFFAOYSA-N 515.418 6.916 50 10 KKGE C[C@@]12CC[C@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=NNC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 2297643338 VXLVRWWWBQOCCJ-XQURSTJCSA-N 541.605 5.868 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cccc(Br)c2Cl)s1 2301084613 VSSRYNOLCDABCY-VIFPVBQESA-N 526.846 6.906 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2ccccc2c1 2313571302 RWCRDISZPXKOGR-UHFFFAOYSA-N 643.308 8.275 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592822 CJBCLKCMISVRKW-BCHFMIIMSA-N 515.610 5.528 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617994 FKKBWXYKRGNIEE-UHFFFAOYSA-N 547.438 6.764 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1C 2314619037 YSHHHXNHCWZJLV-UHFFFAOYSA-N 538.648 5.655 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1OC 2314717637 IHBOJTVBVUAAEH-UHFFFAOYSA-N 532.662 7.105 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(Br)cc(Br)c1)C(=O)OC(C)(C)C 2315463515 RQWGXUJSDYFFPZ-SFHVURJKSA-N 591.122 6.179 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2358264591 OREKFRWSFZPTJW-APIVVPRFSA-N 550.310 6.440 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2365594793 BXLXHDNCHSVRIM-NSHDSACASA-N 589.707 8.152 50 10 KKGE Cn1cc(I)c(CC(CBr)(CBr)C2CCCCCC2)n1 2367588835 YXSQTIJMGDFABX-UHFFFAOYSA-N 518.075 5.314 50 10 KKGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14036190 CBFXLABRXMNHJM-UHFFFAOYSA-N 512.459 5.057 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccccc2)cc1 33786634 SQXLZUORQCZRJM-NJEMLTPYSA-N 511.603 5.237 50 10 KKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1Cl 33927763 OJPPLSLLBFOILD-STZFKDTASA-N 517.810 7.380 50 10 KKGE CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 34704812 BZVIQTMIXILUQA-TZZJZTKFSA-N 500.618 5.524 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C1=O 38607632 NMFKKKKZBCRBLM-OVVQPSECSA-N 506.606 5.805 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 38608041 OCFJFFHAGJGXLV-WPWMEQJKSA-N 506.606 5.781 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38684375 PPPXPYBYLLKZAC-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38685228 LAICGFPXTMQZJT-PMERELPUSA-N 512.606 6.191 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38700797 BGXVYJDCXMYTGH-GDLZYMKVSA-N 522.601 6.974 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38700839 JXVFTYNMVBVLNR-AREMUKBSSA-N 504.970 5.965 50 10 KKGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40646426 QTTZHKZFBZDRME-UHFFFAOYSA-N 510.341 5.614 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 58889932 SJQCUNGQOAUQOR-WUKQQSQZSA-N 502.998 6.045 50 10 KKGE CC(/C=C/c1ccccc1)=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 58991441 KXUUGFRQJQSDQW-FEIPKFQASA-N 509.679 6.130 50 10 KKGE O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100133160 FABWAUWBDHFANL-UHFFFAOYSA-N 606.311 5.237 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 100233502 YOQKZYJATZXREV-HHUCIZBTSA-N 624.359 7.096 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335510 RTNSWARPDATKFL-LICLKQGHSA-N 542.773 6.144 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1 101367454 BRSRGCNHAYYNTO-MGBGTMOVSA-N 554.602 6.865 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386873 FTEVDMMHQDIREI-MGBGTMOVSA-N 580.612 6.178 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387405 SOOFNXBQPPRZIU-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387815 LSAWMNLMBMJAIY-BHVANESWSA-N 618.730 7.979 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388770 LHTZKBPLHGIBJC-SSEXGKCCSA-N 598.011 6.663 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101395824 PGQRSEVVQSDGBZ-PMERELPUSA-N 587.072 7.656 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)CC1 101399595 HNCVOOKTHBMUSC-XUTHNDMESA-N 635.588 8.701 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccc(C)cc1 101766117 UEHQEUBYNUXCJC-VFLNYLIXSA-N 545.861 6.144 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc(C)c(C)c3)c2C)cc1 103734735 UZHSMJJKXQSIKY-WEMUVCOSSA-N 502.703 7.389 50 10 KKGE CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N\NC(=O)c3ccccc3)c3ccccc32)cc1 104614753 DKNJCXNFEYEIPD-GSRMSFQDSA-N 541.607 5.052 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(I)cc2)c(Br)s1 109312298 DKMBUGATBVECID-JTQLQIEISA-N 536.852 6.362 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921104 MYCARRQNTBVVPF-QDKAACNBSA-N 521.295 9.920 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1 150383013 LGDPMUDKLYTCJZ-CNIQOEEMSA-N 690.319 6.592 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 161118175 LVCFPJKLEZSOJB-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 169682093 VOXJHJRLIGNTTG-NAEHCMMRSA-N 644.722 9.986 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 232560753 OHMZMZHGALKYHQ-AWEZNQCLSA-N 514.064 6.897 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(/c1ccccc1)c1cccs1 253579712 ZYKUSBJYZAKXAV-FXSYBEAJSA-N 537.114 5.841 50 10 KKGE C[C@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC2(C[C@@H]1C[C@H]3O[Si](C)(C)C(C)(C)C)OCCO2 253610071 ZDVCXQFUENFUQE-FNUIYTSASA-N 550.897 6.768 50 10 KKGE in-vitro COc1cc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)ccc1C 253622516 NUMVLTTXMWDTRM-MVISFULMSA-N 538.773 5.861 50 10 KKGE CC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 254318327 PTSDBOYJYXSMIK-OAQYLSRUSA-N 599.534 6.599 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccccc1 254411805 QGSDQKCJJJQWGS-YTTGMZPUSA-N 564.667 5.242 50 10 KKGE COc1ccccc1C(=O)Nc1c(C(=O)NN=Cc2ccc(Br)cc2)sc2nc(C)cc(C)c12 254482872 YJZSZKDQWDMZDY-UHFFFAOYSA-N 537.439 5.700 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(OCCC)c1 254550968 XMSBFMUHGBOHRO-UHFFFAOYSA-N 539.654 5.228 50 10 KKGE CCCSc1nc(Cl)c([N+](=O)[O-])c(=N[C@@H]2C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]23)[nH]1 504666080 WBFXPSFPBVVGNJ-CYGHRXIMSA-N 563.193 5.074 50 10 KKGE CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)[C@H](OC(=O)CCC1=C(C)C(=O)OC1=O)C(C)C 575133007 AMFQLUYJIGWDCU-QYHNNULSSA-N 750.967 5.815 50 10 KKGE CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCSS(C)(=O)=O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCSS(C)(=O)=O)c2ccccc21 575627089 DXIDGKHYAOIZDY-UHFFFAOYSA-O 858.251 7.596 50 10 KKGE in-vitro c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)NCCCCCCCCN3)cc1 642813677 FRFLXDDOSFXIFP-UHFFFAOYSA-N 662.798 9.048 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1Br 691539314 JHJUTWRUTDRSBX-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3scc(Br)c3Br)c2O1 720026548 NHJUBUAKASBAQT-SREIQFSDSA-N 501.465 6.687 50 10 KKGE Fc1cccc(F)c1C[C@H](Br)c1ccc(I)c(Br)c1 721572115 KHHJGGSBHFGRNW-JTQLQIEISA-N 501.934 6.011 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1)S(=O)(=O)c1ccccc1 725385658 HLVTUEAPLGYJBO-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc3ncn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)c32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 888084787 UDVSLNPMAIZCSA-JLQGKLAWSA-N 776.125 8.704 50 10 KKGE C#C[C@@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)ccc4[C@@H]3CC[C@]21C 1074675062 PNMCQXPTJSJVHG-IKVATAHOSA-N 596.595 6.910 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1083845956 XBJXLWRSHABKLF-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(C)cc1 1084147666 ACTBXXJRRIYNKC-UHFFFAOYSA-N 547.449 6.974 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccccc1 1084257252 AGJFFRXMEGXLQF-UHFFFAOYSA-N 541.991 5.974 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084379715 ZTHPSURRZBTONF-UHFFFAOYSA-N 637.155 8.336 50 10 KKGE CCOc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084384376 UTMCHJWLSJGVIA-UHFFFAOYSA-N 520.438 5.128 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)c2cc(Cl)cc(Cl)c2)cc1 1084477349 BXFWRQGSCCSVCX-UHFFFAOYSA-N 545.275 5.954 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4Cl)c3C)cc2)S(C)(=O)=O)cc1C 1084628593 BLLIZTRGGUPDST-UHFFFAOYSA-N 563.123 6.094 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084628647 PNGSDMUTZOMAJN-UHFFFAOYSA-N 552.303 6.331 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3cncc(Br)c3)CCC4)c2n1 1772748459 YEZUVZVUURGLLO-UHFFFAOYSA-N 533.382 5.292 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1OCc1ccccc1 1772754218 SNTNWEIXYQDOOA-UHFFFAOYSA-N 511.416 5.689 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687787 AKCMNYYCHPEEOD-NDEPHWFRSA-N 567.020 6.779 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865690982 GQMFFLLKVZLKCA-JOCHJYFZSA-N 512.532 6.077 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865697666 YWVFDVUFGYWBJB-DEOSSOPVSA-N 534.538 6.450 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697761 BBBDSXXVLNSNLT-QHCPKHFHSA-N 553.457 5.610 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698076 JTVMQPHQQRFELM-JOCHJYFZSA-N 541.421 5.409 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701668 BEUOXKMKLDRHCL-JOCHJYFZSA-N 517.358 5.668 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703961 JOZKHRLGWFOFKA-SSEXGKCCSA-N 567.476 7.497 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674582 ZHMHRAVKSPCAES-SANMLTNESA-N 526.618 5.141 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014650 YUOSLIOXWYKTSL-URLMMPGGSA-N 559.757 6.599 50 10 KKGE CCCC[C@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867027663 SOLDYYULYIAHSC-NDEPHWFRSA-N 529.706 6.917 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867189965 DKRZVRJYFDXUAK-QHCPKHFHSA-N 538.677 5.457 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)n2)cc1 1868527779 HPISFYWUAGVIQA-MHZLTWQESA-N 577.754 7.667 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1)C3 1868564731 DSEQAIBYSIVZAQ-UHFFFAOYSA-N 505.607 5.908 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1Cl 1872755806 HCCSYOBYILZHCT-ATVHPVEESA-N 502.206 7.304 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)c1ncc(I)cc1Br 1882958322 HMABCZUYRDIBEB-NSHDSACASA-N 510.011 5.239 50 10 KKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311652 HBDKRWKYLJVWDI-SFHVURJKSA-N 505.172 6.284 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1923066398 PAIQJSNPGFSDKZ-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924604383 AWMOXPXPOOYCKK-MRVPVSSYSA-N 537.868 6.668 50 10 KKGE C[C@@H]1CC[C@@](C)([C@@H](Br)c2c(Br)sc(Br)c2Br)C1(C)C 1924609035 RBMKKFYITDRBTQ-IMIVBSTGSA-N 537.981 7.934 50 10 KKGE Cl[C@@H](c1ccc2sncc2c1)c1c(Br)sc(Br)c1Br 2120655570 FJXUNRLQPVADHN-JTQLQIEISA-N 502.478 6.974 50 10 KKGE Cl[C@H](C[C@@H]1C[C@@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2141467762 BUYHTGAYEBCVFB-VAOFZXAKSA-N 536.327 7.453 50 10 KKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470507 HTYUVXQKSBZTNP-CPCISQLKSA-N 584.810 8.245 50 10 KKGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)c(CBr)c2)CO1 2179956023 JKFCIMZBBCXRDT-QGZVFWFLSA-N 517.283 5.102 50 10 KKGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(Br)c(CBr)c1 2197755787 JXKWUWNVTCMPBN-HXUWFJFHSA-N 517.283 5.104 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2207263255 WOAOTNANVMQIBB-CQSZACIVSA-N 530.425 6.461 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Cl)c(I)c1 2256330913 FSGBIAULRGHACS-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1scc(Br)c1Br 2272837418 KODXXHROUZHKOU-VIFPVBQESA-N 560.277 7.405 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1scc(Br)c1Cl 2277889174 NNBPGXXLLAAZRB-SECBINFHSA-N 509.872 7.073 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2288987779 BZTVKUOJFYCLLG-UKXDHYTESA-N 594.805 8.143 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 2293202204 WGZIOFZLWDWPMM-UHFFFAOYSA-N 548.030 7.911 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccccc2)cc1OC 2293488632 XHHAOLIMHNWIDC-UHFFFAOYSA-N 534.041 5.426 50 10 KKGE N#CC(=CNc1ccc(Br)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295902641 CHJPZTWVZLTXKK-UHFFFAOYSA-N 529.213 6.418 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2296640552 GWCJPYWLOGXDOJ-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2ccccc2Cl)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647864 QNIWBDSYMBNJTI-UHFFFAOYSA-N 567.985 5.209 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@H](O)C1=CNc1ccc(-c2ccc(NC=C3C(C)=C(C#N)c4nc5ccccc5n4[C@@H]3O)cc2)cc1 2297532121 SLFVAYAXFQWWPL-XRSDMRJBSA-N 654.734 7.648 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2ccccc2c1 2313567322 IVZPKEWBMFNETO-UHFFFAOYSA-N 596.525 6.836 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592004 JJMWETLZLQYNHB-VWLOTQADSA-N 602.034 6.831 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 2314634087 KYORMRHFSBQICP-HHHXNRCGSA-N 519.428 7.128 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c(OC)c1 2314634544 HIGQUPDZXQORDJ-SANMLTNESA-N 523.372 5.848 50 10 KKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)sc1Cl 2317956316 YIMDRPMMEDBXDQ-LURJTMIESA-N 515.901 7.134 50 10 KKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 2331352291 CLZLOGKKTHYDSK-UHFFFAOYSA-N 521.998 5.866 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 2331467728 YXOASYFJMSQYJC-UHFFFAOYSA-N 517.478 8.157 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)s1 2335302376 PMNATIFVTATZFE-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336039467 XBELSEPQMGCQIR-OAQYLSRUSA-N 515.072 8.081 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336051887 WIAJGRAMTKMISM-IBGZPJMESA-N 543.068 7.608 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2336053819 MDSHXWWAHKXQEC-GOSISDBHSA-N 506.181 7.593 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 2358265422 RYHQUGMIFLCIGG-BSFVXNEUSA-N 596.777 6.988 50 10 KKGE N#CC1=C(N)n2c(s/c(=C/c3ccc(-c4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 2051526 SKXOOEQKFLLKQD-DUIUNGFMSA-N 534.644 5.195 50 10 KKGE CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 2783311 STQXXRMIGFSMTH-NKFKGCMQSA-N 502.640 5.496 50 10 KKGE C/C(=N\NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cccc(NC(=O)c2cccc(F)c2)c1 20159026 VDLNCPVYARELKW-QXUDOOCXSA-N 521.548 6.557 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)cc2)cc1 33383239 LOZGEONFKGFUDZ-OOAXWGSJSA-N 502.618 6.346 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N1CCOCC1 35446245 OPROGOBAWLVCBS-ULJHMMPZSA-N 508.553 5.023 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38680007 CJHBGZRJTIILPO-MYYSRTQBSA-N 509.389 6.147 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 38686322 CMTONYIQHLYWLZ-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822712 YEDXIBRPEWXLKM-INKHBPHZSA-N 521.573 5.764 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 48573734 PDCFWKVCWQCCIT-STBIYBPSSA-N 501.428 6.363 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 59117404 ASBXOSYWKATNDM-YBEGLDIGSA-N 501.753 6.420 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 72131497 RNQDQJFAEAQNIS-WBVIKXMWSA-N 633.398 12.083 50 10 KKGE in-vitro CC(C)(C)[C@@H](CBr)COc1c(Br)cc(Br)cc1Br 96871338 USESLFZDZSCPOG-QMMMGPOBSA-N 507.886 6.410 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100093316 MHBCQMAXIRQVPV-HNNXBMFYSA-N 564.274 5.484 50 10 KKGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100199300 BIWWVYZBQKQDIS-UHFFFAOYSA-N 526.865 5.054 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 100236230 FYDHCERGZJXUJA-HOFFDHMBSA-N 585.926 6.773 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1Cl 100236560 YUYNAGRSCQJVER-ZTCOUNKMSA-N 541.475 6.664 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 100327094 RTCZRWRAPXUFSA-HVXFLFEHSA-N 566.279 6.307 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1cccc(Cl)c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 100404318 JARDOCYNTMQYJZ-IMIUQWTHSA-N 614.554 7.887 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101333054 WFGRTDCGAIYGHA-TWKHWXDSSA-N 542.639 6.511 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374753 SNDRPCBLMQILJQ-ICACTRECSA-N 570.686 6.808 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 101375296 DLFMXHJORGWPLS-LJAQVGFWSA-N 530.596 6.621 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385901 OORCZIDCVGWBPG-UUWRZZSWSA-N 611.094 7.254 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101387299 RTWQASYYAJHTGE-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387318 VJTUNYIWBIIAFS-XIFFEERXSA-N 580.612 6.178 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c1 101389614 ROFMOUIXWUXBMV-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)oc2ccc(Br)cc12 101391135 YPPSKNGSOQMVDC-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)cc(C)c6c5C)ccc43)cc2)cc1 101397490 GJQLFQVLZRNKLU-MGBGTMOVSA-N 570.645 7.683 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccc(F)cc12 101397680 FSFARJLRVPXYTH-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101599036 OEOYRJXXQUBTLX-NDZAJKAJSA-N 552.812 6.242 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1 102933346 GZRXEXKTZZLWKZ-XSFVSMFZSA-N 556.372 6.584 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(F)cc2)cc1 103742625 LXBVYRNRXSFYBD-QPSWJSTDSA-N 526.420 6.506 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Br)cc1 103880272 XABWQRJPSORDAV-UVHMKAGCSA-N 558.226 6.309 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 128735555 OXIOTGFUFWMTPK-CQSZACIVSA-N 532.295 7.420 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1 150429066 WZGKEDVTYLLZTO-DOCWCXJCSA-N 651.339 6.304 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C2=O)cc1OC 214372489 ZHIJJQBEBVCMAZ-NIJLLOFRSA-N 705.837 5.812 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C2=O)cc1 214391299 BZMFYTIPEKMZDO-RHANQZHGSA-N 542.639 6.266 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232343518 HXLJSGHFEWLQEX-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NN=Cc1ccccc1C(F)(F)F 252623928 PCKIXDQDYGHZKQ-UHFFFAOYSA-N 544.382 5.353 50 10 KKGE Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C\c1cccc([N+](=O)[O-])c1)=NNC(=O)C[N+](C)(C)C 254397616 YFHFIBWGRXORPO-RDXJCQDLSA-O 606.732 6.119 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(O)c1 254559557 YBEBSZRIRRKPLY-UHFFFAOYSA-N 561.733 5.120 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254847865 CGGFKKVPZOFIJC-ZJZHXRDVSA-N 583.622 5.016 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)ccc1N1CCCCC1 256019059 IJUMWFLJIJGQAZ-MXSCXNJPSA-N 748.376 7.111 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1 725412528 QJYPHYMPJJMJIU-VWLOTQADSA-N 559.888 6.353 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725418414 KEFLPOBNFXQDBO-UHFFFAOYSA-N 629.964 5.864 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc3ncn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)c32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 888084788 UDVSLNPMAIZCSA-UMGNPTPLSA-N 776.125 8.704 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083818327 AUHUBWQSDUBDNK-KKGFQHLNSA-N 602.882 6.424 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1 1083985428 CVZFHENZTRSVLB-QFIPXVFZSA-N 658.249 5.578 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2cc(Cl)ccc2OC)cc1OC 1084175851 IEYJKKFOWZCPQS-UHFFFAOYSA-N 625.147 5.427 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084216155 MBBMXQWZONGMCI-UHFFFAOYSA-N 640.593 5.743 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084245753 JGYATBGCVMOTAN-YZSQISJMSA-N 586.917 7.090 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 1084332973 GVWPENUFQUKVFC-RUZDIDTESA-N 507.428 5.721 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084410598 HCHDMQOBBFVASI-OVCLIPMQSA-N 615.536 8.296 50 10 KKGE CCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(O)cc1 1084527161 GUKCBDBPRAUTNF-UHFFFAOYSA-N 506.194 5.380 50 10 KKGE C[C@@H](CCC(=O)N/N=C/c1ccc(N(C)C)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1085889455 OUDVPVUVMCWGFP-UYQAATDISA-N 537.789 5.610 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689041 IKSIDQQKODNOEB-MHZLTWQESA-N 579.459 6.745 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689396 REHYAODPDNTOJR-DEOSSOPVSA-N 573.447 5.610 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865690855 CQNCTVHQMVJOPT-SANMLTNESA-N 508.553 5.529 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865691103 JGQXQGNWHZMDLW-VWLOTQADSA-N 571.475 6.376 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691506 UKOPRHYTXWYURL-HHHXNRCGSA-N 559.041 6.797 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865694849 DBVHTGSICKBACM-VWLOTQADSA-N 547.442 6.531 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696418 GKVCAAQZSLPOBI-JOCHJYFZSA-N 523.431 5.601 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701125 MLZSUJVTVRFUHO-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865704737 CTHANHKVPFURKN-LJQANCHMSA-N 567.351 6.065 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705794 GEGKNVPVDIQHCQ-JOCHJYFZSA-N 578.810 6.090 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865706222 QNYWPKABQHVBNF-RUZDIDTESA-N 508.578 5.210 50 10 KKGE CC(C)c1ccc([C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962583 BQZVRMPIMJGSSR-VSGBNLITSA-N 515.679 6.195 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(Cl)cc2)cc1 1867220725 PPZONVTVTSJNFW-IGYGKHONSA-N 570.114 7.330 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745284 GBIMUIHJNJOJDD-KOAPHTDDSA-N 506.027 6.197 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872746025 ODNWRRCUIBVDQA-SPICPHANSA-N 507.571 5.519 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2cc(Cl)ccc2Cl)n1 1872754444 SOSJGRXJTMMRAP-LGMDPLHJSA-N 502.206 7.304 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 1872755018 UYBGVRZOGGNJLT-LNVKXUELSA-N 503.580 5.477 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 1872756922 HQHZCJZHYQLXEE-NTKFOSSBSA-N 501.608 5.758 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915303194 PWVITSANMYKLHI-GOSISDBHSA-N 565.087 6.116 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924589850 GCBSJNMUMWNEEP-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE COc1sc([C@H](Br)c2cc(I)ccc2Br)cc1Br 2034628345 DSAFNNAYQCMIHM-LLVKDONJSA-N 566.878 6.371 50 10 KKGE N#CC(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)=C1Nc2ccccc2S1 2042438082 YIAHLRKHNLBEFZ-UHFFFAOYSA-N 522.577 6.718 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 2125299409 RTAGLDLTXBEVOC-XUVXKRRUSA-N 503.775 5.440 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2142290184 ZAEAZVXJSZCCNF-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2169668811 UOQOAIASRDDNAK-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1Br 2226077182 AJWRYGGLHYMHCQ-GFCCVEGCSA-N 535.896 7.276 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232512054 MQMNSEVESADVJA-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2235614324 HHWAXODFKRGCFI-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(F)cccc1I 2282787259 OMZQPRWUGQJXIK-CQSZACIVSA-N 513.970 5.994 50 10 KKGE Clc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 2283199411 FRTAPFKJPKILBA-ZDUSSCGKSA-N 528.409 6.126 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Cl)c2Br)c(C)c1Br 2283202231 MWSRGORBBNXVAX-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283576440 GPNHNHHMQOGQGU-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2285650635 POWCFVFUENXZFW-IJESPZCISA-N 560.296 7.698 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2294147017 XAXXTJXOABBRPQ-UHFFFAOYSA-N 513.550 5.855 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 2294187481 VGBZWSLEEORVRJ-UHFFFAOYSA-N 512.009 6.881 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2295163782 RFGKBFJIANZRTR-UHFFFAOYSA-N 611.117 7.652 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2297555020 JYWGNKJYLZWPPM-XMMPIXPASA-N 536.484 6.984 50 10 KKGE ClC[C@@H](I)[C@@H](CCl)OCc1c(Br)cccc1Br 2302080057 NPJPSKZMXNHOJH-GHMZBOCLSA-N 516.826 5.378 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571205 PTXFUJGUKBCWLQ-UHFFFAOYSA-N 649.981 8.950 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 2314414574 DETWUUNYPFJIJF-UHFFFAOYSA-N 566.082 7.419 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314489799 SXNXEYLDRZPKBT-UHFFFAOYSA-N 551.890 5.287 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c1 2314610821 MROJRZYNDLZIKE-OAQYLSRUSA-N 508.622 6.109 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616624 FYAJWBPYPDTBMX-UHFFFAOYSA-N 510.565 5.638 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618318 LGSGSCUFFOOHLQ-HXUWFJFHSA-N 561.465 7.325 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 2314737334 ZCBNFWOPQYBKFB-UHFFFAOYSA-N 554.687 6.617 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OC 2314753754 DONRWDSRWDWSLG-UHFFFAOYSA-N 553.615 5.983 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699594 FORKJJKCFLGRTH-UHFFFAOYSA-N 558.230 5.428 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 2331273301 BCEGWKSZZYFYHA-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2333303679 PBWVCISRESRAKR-HGDANNRKSA-N 580.778 7.753 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 2338025030 BPMDVWIVRXXYRE-AWEZNQCLSA-N 534.482 7.205 50 10 KKGE C[C@](CI)(OCc1cccc(I)c1)c1ccccc1Br 2367353864 WWJRPFMBRCMRSB-MRXNPFEDSA-N 557.007 5.921 50 10 KKGE CC[C@](CBr)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377328462 CNLKXZROOMXETR-QGZVFWFLSA-N 508.035 6.339 50 10 KKGE CCN(C[C@@](C)(CI)OCC1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C 2381551663 XAAZQKORDAJTDL-JTTJXQCZSA-N 507.375 5.822 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 1790515 FXZQDSNSAJZSRG-ABPPERTMSA-N 522.457 5.779 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684825 ZCOXMSFWTWFCAD-HKBQPEDESA-N 526.633 6.582 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(C)c5)ccc43)cc2)cc1 38686245 GJRSQSGBMHQNLW-PMERELPUSA-N 502.570 6.320 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)oc2c1 38687896 JFYXFZLREYYECI-XMMPIXPASA-N 515.363 6.250 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1Cl 38700524 KRODPQLLCBXPLP-QFIPXVFZSA-N 511.759 5.548 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)ccc2OCC)c(OCC)c1 40890738 UYPYRDJTYAJEDW-FWBOJEOFSA-N 514.372 5.335 50 10 KKGE Cc1ccc(COc2ccccc2/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 40924868 VQRWMTYTNDBHKC-CCVNUDIWSA-N 508.068 6.593 50 10 KKGE CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95628252 KMCAYUSNEOYNIP-GFHGTIOLSA-N 731.027 9.136 50 10 KKGE in-vitro CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100093309 MHBCQMAXIRQVPV-OAHLLOKOSA-N 564.274 5.484 50 10 KKGE N#C[C@@H](Cl)Cc1ccccc1C(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 100990141 NAZTWVDZJWMRMZ-DEOSSOPVSA-N 543.070 7.950 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1C 101304898 FHBJKMAMOYJSRN-ZXVVBBHZSA-N 536.632 5.431 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362470 VXMIKXWCCBNVRS-WJOKGBTCSA-N 532.596 6.492 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCCC(C)C 101368385 FNSDFCCYTBIVJC-WJOKGBTCSA-N 542.632 5.940 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 101372329 UDTMWABYEXUSEN-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OCC 101374766 STAKQMDEUXVWSO-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379078 MDVFKZXYFDGNHB-RCKGABTRSA-N 569.444 7.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101388861 HDODEQBJMVNPGU-JGCGQSQUSA-N 611.582 5.914 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1Cl 101394063 LVAFNSUTTUVCDD-NRFANRHFSA-N 546.204 6.202 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 101696120 AWSFBMINLIZSFD-LDADJPATSA-N 529.376 5.583 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 101766721 DUDGYNNRWLYQFB-FDAWAROLSA-N 557.916 7.288 50 10 KKGE CCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C1\C=C(c2ccccc2)SS1 102643444 OPNIUZCQCNJSFI-WCWDXBQESA-N 577.596 7.544 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)c1 103741808 BUHGVCKGMNGMHY-SCIJIFGBSA-N 522.424 5.093 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2ccccc2c1 103880655 ADTGYDSTOORJKZ-OKCVXOCRSA-N 576.390 6.542 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 103887337 UXPNYLVOPDIYGY-GRSHGNNSSA-N 570.237 6.343 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 104996491 OPJFNYYWWPSAOI-FMWHGTAOSA-N 537.704 7.400 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2-c1cccc(I)c1 116735310 IYFHWTJLYGWNLO-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE CC(C)c1nc(CN(NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 150387739 NZUSTOPOZPROGL-RONNFESSSA-N 822.067 6.715 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 150429435 SZHKSQJAXLPKMJ-DVMDLWDRSA-N 681.365 6.394 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430086 KNBBQVQCCYKYGJ-MGBGTMOVSA-N 645.539 7.791 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432791 XDJAGNIBJMJYQH-HSJZENDLSA-N 643.523 7.817 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150481919 DLZZZVIETKSJOD-NDEPHWFRSA-N 633.940 8.878 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485150 QHBWBUBSRVJDEL-VGZFIIKMSA-N 629.496 7.427 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 164627498 DNGWHUKGGQBZAN-RQRWGXNHSA-N 759.269 9.470 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 206289047 YNACPPZKBKEKDE-YFJQDTPYSA-N 546.620 6.036 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc(Br)s2)c1 232482778 MDTZRIWJPXTBGN-LLVKDONJSA-N 536.852 6.362 50 10 KKGE CCCCC[C@@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530221 OUFIJZVLVZAQTQ-COCZNXNJSA-N 549.349 10.844 50 10 KKGE biogenic COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccc(C)cc2)cc1 254392588 SAJBCNUGOIZJKI-UHFFFAOYSA-N 523.618 5.353 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 254482055 CJXPYNFAUTWYGH-UHFFFAOYSA-N 537.701 6.182 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)/C=C\c4ccccc4)cc3)cc2)cc1 254487670 QYTJSOBMOQPXRR-UEFFXUNXSA-N 539.613 5.179 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3c(OC(=O)c4ccccc4)ccc4ccccc34)cc2)cc1 254705306 DISHFKMJJOYEGO-UHFFFAOYSA-N 514.581 6.710 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2OC)cc1 254742195 MDIFFABTKBXBIX-UHFFFAOYSA-N 518.610 5.664 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 254794570 FDVOEOFMGYBCOJ-YTTGMZPUSA-N 515.638 6.531 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1OC 254865410 AXTQAAQVYDFXPQ-UHFFFAOYSA-N 560.606 6.419 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254874206 LTRRNWDYPJTRRA-UHFFFAOYSA-N 530.719 6.000 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cccc(Br)c2)C1 303741142 HCHRYDNNXYYQKF-GOSISDBHSA-N 510.210 5.170 50 10 KKGE CCC1(CC)[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 311432335 RNZTZRCYAXXLTI-NWDGAFQWSA-N 524.995 6.114 50 10 KKGE C=C(C)[C@@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]12 504238355 PKAPKLCGHVIAEA-QUMWFORRSA-N 598.869 6.889 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 1083978646 FYYXDITWIZCHSI-UHFFFAOYSA-N 671.013 6.653 50 10 KKGE COc1cccc(C(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1 1083986098 URKOFGXGHLOPGR-UHFFFAOYSA-N 540.689 6.368 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4cccc(N(C)C)c4)c3C)sc3c2CCCC3)cc1 1084090590 FKGQAPOAFMSHGC-UHFFFAOYSA-N 583.758 6.190 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccc(O)cc2O)cc1 1084245719 XEELAMDXWURICV-UHFFFAOYSA-N 550.036 5.219 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 1084300549 YTKOSDIVTYYXGZ-NDENLUEZSA-N 525.830 6.934 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 1084359640 MTPMAPJQPUOPAT-UHFFFAOYSA-N 621.123 7.372 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1084500075 YAUGGNMNKCEREP-BZXROKRSSA-N 611.661 5.137 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084528852 ZRWYSVDMPYPCFN-UHFFFAOYSA-N 640.478 5.695 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084625337 MJSKODRRJBIQRH-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1cccc(C)c1 1084629589 DJCRLWMTVQXMJG-UHFFFAOYSA-N 521.573 5.629 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653262 BUZOWZGJDPORHG-JVHLIXIRSA-N 586.035 6.671 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744262 VHCKIHYDRCVRJT-OAHLLOKOSA-N 538.417 5.942 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746769 ZZVDZLNCYDPYFP-UHFFFAOYSA-N 528.392 5.794 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c(C)c1Cl 1772756498 DMKMPENPWUDRRD-UHFFFAOYSA-N 501.808 5.827 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688684 YGVYCHGUTICTAX-MUUNZHRXSA-N 532.575 6.126 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865691673 YGXYGGIHBDWANR-VWLOTQADSA-N 529.427 6.688 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696835 REQHUYRFFMQVMM-QHCPKHFHSA-N 577.410 5.441 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCCCc1ccccc1 1865697342 QFJGQSJTZZHXJX-DEOSSOPVSA-N 547.537 5.524 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1 1865706754 DVLUUJBUFZESBJ-MUUNZHRXSA-N 510.041 6.138 50 10 KKGE CSCC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866589308 UTUSMULRZHFKJC-QFIPXVFZSA-N 526.709 5.023 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975969 VYNKCGFUNKTPCY-DQEYMECFSA-N 554.485 6.267 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@@H]3c3ccccc3)OCO5)nc(-c3ccccc3)n2)cc1 1868365913 YIFLLZIIOUKNAU-YTTGMZPUSA-N 555.663 7.341 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C 1868433830 RQCVTZOHHXKMCI-WOJBJXKFSA-N 523.106 6.049 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccc(Br)cc3)nc2c1 1872728614 LLRDZFFNUDJLPO-XDHOZWIPSA-N 546.377 5.536 50 10 KKGE Clc1ccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)cc1I 1900405134 PTZDIEHBLOPEQB-LJQANCHMSA-N 504.637 6.120 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1sc(Br)cc1Br 1922947112 YPHKFNKHTPMTNV-JTQLQIEISA-N 571.297 6.968 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)o1 1924579569 HGXJJEYYNCENTG-ZCFIWIBFSA-N 558.709 6.875 50 10 KKGE C[C@@H]1CCO[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1951106198 VZXZRJYBWHSUTF-DSYKOEDSSA-N 511.899 6.287 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2085497195 ZFXUXIYWTZYEEC-CMOFIFEBSA-N 568.723 6.065 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2097834919 OTGBYNNIUSETHH-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2c(CBr)ccc(Br)c2Cl)C1 2098116084 GHOZJYRLFZTEMI-HZPDHXFCSA-N 500.706 6.344 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 2122802882 TULVMHPTYYTXFG-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE Cc1coc(C)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473265 NBVQIVWHYMLGKM-ZDUSSCGKSA-N 580.734 7.431 50 10 KKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396751 AQEVFPPMZYXWET-QUBYGPBYSA-N 604.747 7.998 50 10 KKGE FC1(F)CCOC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206398874 ZTATYCBRDUDVBY-ULHQUTTKSA-N 562.268 6.688 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408534 KINRUUPTVIQKFG-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE BrC[C@@H](OCCOCCOCCOCc1ccccc1)c1ccccc1Br 2236085078 MYIJXIHPZCRTOB-OAQYLSRUSA-N 502.243 5.152 50 10 KKGE Fc1cc([C@@H](Br)c2sc(Br)cc2Br)c(Cl)cc1Br 2255970069 QYZCKLCPGVTSIC-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Cl)c2Br)c1Br 2267981875 BPYRQLRDQYZTGD-CYBMUJFWSA-N 532.295 7.420 50 10 KKGE COc1c([C@@H](Br)c2cc(I)sn2)cc(Br)c(C)c1C 2269163415 BTKIAHZDVKFPTG-GFCCVEGCSA-N 517.024 5.620 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)sc1Cl 2272739760 NOTUNUGRYKWYMQ-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277889711 AJHWSFITOAUXOZ-SNVBAGLBSA-N 596.802 7.785 50 10 KKGE Clc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1I 2277959692 VNDQZSLGQKXINN-LBPRGKRZSA-N 579.295 7.148 50 10 KKGE COCc1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2295264561 HCBISHBCYVMKLN-ZDUSSCGKSA-N 503.481 6.705 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 2295459600 DTONBCPRDAMADL-UHFFFAOYSA-N 531.395 7.310 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl 2296723164 MRQDQRUQORBADM-UHFFFAOYSA-N 570.852 5.858 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cnsc2Br)c1 2300334502 TWBBQYSJNRAKHR-SNVBAGLBSA-N 504.867 6.109 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1sc(Cl)cc1I 2301118583 CMHJPPQQNLFOEK-LURJTMIESA-N 530.838 5.593 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313556757 KFZRZHBDUBNGNX-UHFFFAOYSA-N 568.888 7.372 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1 2313567077 FRFYQDMIFMSZLO-UHFFFAOYSA-N 542.477 6.012 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1 2313571315 SCNUZWYHNBGYMN-UHFFFAOYSA-N 550.211 7.028 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313630492 AUCNFXWMCQIUPR-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 2314475712 AXOBYQYLEXRBCY-PSWAGMNNSA-N 611.724 5.282 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592366 RVYSJCJUJGQICE-VWLOTQADSA-N 551.590 6.341 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592544 XCWRVGSCNXIPTG-XMMPIXPASA-N 504.011 5.722 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592616 YRDPXCDRAAVOEL-XMMPIXPASA-N 556.009 7.041 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 2314616795 JYPWGDXXPHGSTL-UHFFFAOYSA-N 570.649 6.214 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314616846 LABILJDIJXNUBW-UHFFFAOYSA-N 540.547 5.325 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618853 VPICCBHNJAFGGL-RUZDIDTESA-N 571.077 6.143 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634841 TYKHOPPEQRTXEV-GDLZYMKVSA-N 515.009 6.746 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1sccc1I 2316754354 HRIHOMYIFMQOIU-UHFFFAOYSA-N 505.972 5.728 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1OC 2320487645 JYARSYPZDNMMIN-UHFFFAOYSA-N 570.696 5.682 50 10 KKGE Cc1ccc(CBr)c(OCc2sccc2I)c1Br 2327796967 PRZSXCUQJSNJAY-UHFFFAOYSA-N 502.009 5.898 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(OC)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329622109 BNDROBDQWAKRBT-UHFFFAOYSA-N 525.424 6.081 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242853 RJGPVXANPGTWPX-HXUWFJFHSA-N 521.620 5.038 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)cc1Br 2343413891 YOCAUSGZOMWCHO-OAHLLOKOSA-N 570.141 5.169 50 10 KKGE CC1CCC(CBr)(OCc2ccc(I)c(Br)c2)CC1 2350067524 DPFPOOMTBFJVSL-UHFFFAOYSA-N 502.028 5.914 50 10 KKGE Fc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362253528 JIEOTSMYCNEGEU-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)n1C 2362485073 HVTIYMXURDWCMP-VIFPVBQESA-N 537.822 5.779 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 1790644 XFMXCNCQBIPHDA-GPSDDGMOSA-N 508.430 6.367 50 10 KKGE COc1cccc(N/C(SCc2ccccc2C)=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 20645688 UEMFELLWVKXLLX-XLVZBRSZSA-N 517.651 5.460 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 29503129 NWTWZXVUYKMJET-DTWGRSBASA-N 621.184 6.198 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 38606502 LFBSPNHTQJEKMM-ZXVVBBHZSA-N 524.621 5.347 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38650606 ORYHRSZUQRQARU-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 38700765 HLKHREMORQVIOY-MHZLTWQESA-N 508.530 5.409 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 40530371 OIPNZHXMODKMST-QHCPKHFHSA-N 511.361 5.838 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](Cl)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 77301879 YIBKQEBBFRFJMH-VTACRQKASA-N 633.398 12.083 50 10 KKGE in-vitro C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101231078 ZQPKBOPAKIYRJO-MTDXEUNCSA-N 561.041 6.550 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101335273 VKNDLGDEGINHSA-VUTHCHCSSA-N 558.638 5.665 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC 101339348 DTDHZXPLYNZDMK-WGOQTCKBSA-N 543.019 5.771 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 101339455 KGWMDFCYQAPDPW-UZWMFBFFSA-N 570.693 7.128 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362326 OGWXBSABQOUNSA-MUUNZHRXSA-N 553.412 6.465 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1 101367470 KCHWLKNXGBDLAM-MGBGTMOVSA-N 562.622 6.094 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 101369030 LKPLHIIPNHWEOZ-AREMUKBSSA-N 535.394 5.277 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 101377943 LCVMKOXZCLJKTA-IIMAJNMQSA-N 544.623 6.766 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379070 DEOCUOSSWQRJIS-DTDRWLINSA-N 549.026 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380212 MDVULIZYTMECDN-PMERELPUSA-N 540.522 5.746 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)N(CC)CC 101727606 ANGRQLWHHCQAFZ-CCVNUDIWSA-N 561.129 5.352 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1OCc1ccccc1 101766220 BUCJXJIJABPRGK-XKJRVUDJSA-N 610.730 6.599 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1 102453389 OGYFWIGEQFQXKK-BKUYFWCQSA-N 503.421 7.224 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 103880884 URNNPFIOUFYVKI-HWLOXFRGSA-N 539.679 7.833 50 10 KKGE O=C(N/N=C/c1cccc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104993481 NCCURHHFUMHATQ-NBRFUFBESA-N 535.087 6.182 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 150431764 YUCNXIDOSDFFSD-PMERELPUSA-N 635.475 7.556 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 150498785 PAIPPWZKZRRHPK-AMVVHIIESA-N 661.441 7.555 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)cc1 205781218 XTKKWNQFNYFKFG-RYBVODPGSA-N 648.741 5.252 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214376699 LNYWNFQRPSQSOG-MNBJERMJSA-N 556.666 6.675 50 10 KKGE Clc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1Cl 236066367 OKDJCDAXPCCGPL-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1 254305376 OYZNDKQLIFIBPC-ZSXSWCHZSA-N 537.576 5.150 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254491823 OCOSOTJYWYYABQ-UHFFFAOYSA-N 547.719 6.946 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254861681 DKPSLJVDOADWNF-UHFFFAOYSA-N 535.629 5.412 50 10 KKGE COC(=O)CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O[C@@H]2CCCCO2)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 256874626 NNCUXEYCPYHOSU-BGWMRSPHSA-N 594.865 5.761 50 10 KKGE C(=Nc1ccc(SSc2ccc(N=Cc3ccc4c(c3)OCO4)cc2)cc1)c1ccc2c(c1)OCO2 263594951 CZDOEWGRIZHLKU-UHFFFAOYSA-N 512.612 7.445 50 10 KKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(I)c(Br)c1 312471671 UZLMKSNFBZXUJM-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC[C@@H]5C(Cl)(Cl)[C@H](Cl)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 504182161 ODWXWMUBXIPATR-SFUGFPQESA-N 502.998 6.738 50 10 KKGE biogenic CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 575417279 LKHIBBPOJARUFY-BGQMZXTASA-N 968.182 6.765 50 10 KKGE O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCCSSCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)cc21 575449224 FRYDAXOCQFFBNA-UHFFFAOYSA-N 931.064 8.299 50 10 KKGE CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1/C=C/[C@H](COc1cccc(C(F)(F)F)c1)O[Si](C)(C)C(C)(C)C 605695452 YQDHGYNDPFQIRY-NQUBXAJKSA-N 843.346 13.516 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616588748 XUSVCKHZEHHPIH-MHZLTWQESA-N 525.926 8.615 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 725438515 PGQKDFFQMAUZGI-YJBOKZPZSA-N 545.171 5.145 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Br)c3)c2C)cc1C 1083969286 CLQRBSAGHMEXLC-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1 1084117658 BRJMVEBASRQSIO-YBFXNURJSA-N 558.803 6.386 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084131931 UVEDSWPBNVLPAP-UHFFFAOYSA-N 548.599 5.367 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)sc(C)c1C 1084134803 LDQUNGFXMMIVTN-UHFFFAOYSA-N 542.455 6.222 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084258040 CXUXPJSMOMVNLP-UHFFFAOYSA-N 656.762 6.209 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 1084280976 YOYDYLQYUBDNPF-UHFFFAOYSA-N 667.140 5.889 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(I)cc1 1084341084 WZJWTZOKJFOLLR-UHFFFAOYSA-N 580.422 6.508 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1Cl 1084540851 AYDOOBOZDOROGI-UHFFFAOYSA-N 559.028 6.258 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084633686 QANYABFKIWKHJT-UHFFFAOYSA-N 524.198 5.813 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084648219 LCJDEJLGGHFAIA-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE N#CC1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 1088661284 OHMMJBDIFSSDMG-ZCYQVOJMSA-N 508.925 5.451 50 10 KKGE COc1cc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OCc1ccccc1 1565517849 SIPCYFVKSXHLOL-UHFFFAOYSA-N 627.127 6.091 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 1772745711 FJBGCJJKRBONIS-UHFFFAOYSA-N 519.907 5.992 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746349 DQYNRLQIGXFJND-UHFFFAOYSA-N 559.420 6.261 50 10 KKGE CCCCC[C@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665493 OUFIJZVLVZAQTQ-OEFAHVHPSA-N 549.349 10.844 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685072 DSRJLCKYNOWVKL-JOCHJYFZSA-N 558.252 7.380 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCCc1ccccc1 1865688037 HDJALSGGDIGHGQ-LJAQVGFWSA-N 541.611 5.783 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)c1 1865690621 XBNOPVXWRRIWBE-VWLOTQADSA-N 512.997 5.877 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865692296 AUTGNXGNUDROSW-HKBQPEDESA-N 572.640 6.933 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865694025 TXPYALLXCZTKRV-LJQANCHMSA-N 553.368 6.273 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694549 WZNOKKMGKUCUMT-IBGZPJMESA-N 523.342 6.264 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865695295 BGTDLWJEICCSTC-AREMUKBSSA-N 507.034 6.079 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695825 UNFNKERITVBZJS-LJAQVGFWSA-N 520.633 5.916 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1O 1865696528 OSBZIMWLPSZTLH-NRFANRHFSA-N 549.812 5.888 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865697255 YNMBHXDAMYDLLR-XMMPIXPASA-N 540.586 6.445 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701597 YZZHYERHRSVVLN-QGZVFWFLSA-N 550.638 5.537 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703782 FPGVFZUUYMCMHQ-AREMUKBSSA-N 511.025 6.657 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865706614 AQYYZQXXSWVYGE-HHHXNRCGSA-N 540.465 6.188 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc(Cc3ccccc3)n2)cc1 1868207167 INLSCQKSLVXKEQ-RUZDIDTESA-N 531.607 7.744 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(OC)c2)n1 1868253680 PYKQJKHZONGNGC-PMERELPUSA-N 523.662 6.143 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)sc1C 1868413831 CWDINVGGERXMMV-UHFFFAOYSA-N 533.126 7.571 50 10 KKGE Cc1scc([C@@H](Br)c2cc(Br)sc2Br)c1Br 1902871297 GOVHIUPINFJCFI-VIFPVBQESA-N 509.908 6.890 50 10 KKGE O=C(c1cc(Br)ccc1I)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915159205 MBAJJPQYUOKLGN-SFHVURJKSA-N 518.620 5.714 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923049086 KRDNWHHSSMIIBS-SSDOTTSWSA-N 556.314 7.507 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925566599 PAKCSAUIXDSIEC-RXMQYKEDSA-N 500.890 6.829 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cc(I)ccc1Br 1950207069 CCLFZGRMMFARFZ-LLVKDONJSA-N 550.879 6.670 50 10 KKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Br 2004505625 CEKRBKNRVTZKGT-QZCCETNPSA-N 515.837 6.517 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(I)sn2)c(C)c1Br 2056487593 MUUYAJSXKDMJBG-ZDUSSCGKSA-N 501.025 5.920 50 10 KKGE CC[C@@H](C(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494268 KSQOWTNAGCAVLR-WPPNPWJKSA-N 526.332 7.699 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2nsnc2c1 2120651109 MPXJJMFNMSFHBV-QMMMGPOBSA-N 503.466 6.416 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1C1CCC1 2141470043 DLIDZZCIVGUWPU-WGZSSWNPSA-N 536.327 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCC23CC3)c1Br 2141470829 LCZXYPRTMFIMOY-WRWORJQWSA-N 580.778 7.753 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2145955423 HDACWYMLYQGLME-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2F)c(Br)c1 2169667837 JUZSZIGTXBYXBC-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Br)cc1Br 2203829726 KSKGVVTZYLMKHD-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2sccc2Br)c(Cl)c1Cl 2217617912 KSNIRGKOPOORFB-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)s1 2217975895 BQMIDMASDYAISQ-GOSISDBHSA-N 502.293 7.172 50 10 KKGE COc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2232091053 BPXKPJHSAVBHSB-SECBINFHSA-N 509.872 7.073 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C 2236060961 HSGMUPOJVGQXBK-GOSISDBHSA-N 501.327 5.673 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2263537786 XVAKPEUTOJEBQY-GOSISDBHSA-N 502.655 7.236 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(F)cccc1I 2267664353 XVDFSBBLODRGST-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2285274987 PWOJTDHZTNENSV-OXOINMOOSA-N 618.805 5.996 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295278964 IXKGLFFJOWOXMZ-CQSZACIVSA-N 527.876 6.661 50 10 KKGE C=CCOc1c(I)cc(I)cc1C=C(C#N)c1nc2ccc(C)cc2[nH]1 2297319986 DMTAVPYTKBTREO-UHFFFAOYSA-N 567.168 5.710 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C(C)=O)c1C 2297465921 JMPGUOGUEZFIIN-UHFFFAOYSA-N 506.436 6.843 50 10 KKGE CC(=O)NC[C@H](I)CC(C)=C1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2[C@@H]1C 2297470821 KGBSGBJFEOXATN-KEIFVUJDSA-N 623.616 6.746 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313546009 VNOHXRMKUUJLPK-UHFFFAOYSA-N 581.308 6.046 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 2313556921 ONWJYXLYMGRRSB-UHFFFAOYSA-N 577.644 7.467 50 10 KKGE Cc1cc(C)n(-c2ccc(N3CCN(c4ccc(C=C(C#N)c5nc6ccccc6s5)cc4[N+](=O)[O-])CC3)cc2[N+](=O)[O-])n1 2313656792 MNVGPSFDBATPKJ-UHFFFAOYSA-N 606.668 6.306 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(CC)cc3)C2=O)cc1 2314592324 QUWVVJNORTZFGW-LJAQVGFWSA-N 539.701 6.665 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1F 2314610462 IRARERWJQMJUKT-IBGZPJMESA-N 512.585 5.858 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634549 HQBNZIGWZBPXHM-PMERELPUSA-N 545.035 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640713 PWLWCWACNDYPNU-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328824691 VRSUXNSSKZQQGX-QFIPXVFZSA-N 501.599 5.193 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccc(Cl)c5)cs4)cc3C2=O)c1C 2331293849 KMXRHIZJBADJDF-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4OC)cs3)cc2C1=O 2331349316 JYYDCHUQGREDPH-INIZCTEOSA-N 515.635 6.461 50 10 KKGE CCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2349835031 VTHNPHSFHJOISV-CHWSQXEVSA-N 501.044 5.297 50 10 KKGE Clc1ccccc1[C@@H](CI)OCc1cc(Br)cc(Br)c1 2362237950 HJVGLWATGNETKT-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2365598127 OBXCQZIGJBNOLU-CYBMUJFWSA-N 678.609 8.323 50 10 KKGE Clc1sc([C@@H](Br)c2cc3c(cc2Br)OCCC3)cc1Br 2369616424 RETILBJQHODQFO-ZDUSSCGKSA-N 501.465 6.736 50 10 KKGE Clc1ccc(C[C@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2377332458 PJCLCIPKKRSKGU-ZDUSSCGKSA-N 528.453 6.503 50 10 KKGE CC1(C)CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@@H](OCc2ccccc2)C1 2378004100 XWFIMCBVGSZKAB-CPJSRVTESA-N 512.738 5.101 50 10 KKGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 9873768 BYPIYASFRZUNMT-IRXDYDNUSA-N 505.453 5.254 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14666957 OATSKFOXCPUHNV-GFCCVEGCSA-N 504.208 5.019 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1C(c1ccc(OCc3ccccc3)cc1)=C(C#N)[C@@H](N)O2 27552043 WEAKNKGBKQFKKL-SANMLTNESA-N 513.395 5.525 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)c(=O)n(-c2ccccc2)n1C 29491588 QIRVOWKOLLGXCQ-VFCFBJKWSA-N 624.676 6.601 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1)c1nc3cc(Cl)c(Cl)cc3nc12 33364183 ACUAVTZCMBJENO-RPWUZVMVSA-N 503.817 5.380 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1Cl 38650048 QLTVJNYOSYZLGI-QHCPKHFHSA-N 511.361 5.838 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38660078 RZIVXNBBMIHOEH-SANMLTNESA-N 504.970 5.965 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)oc2ccc(Cl)cc12 38687169 BOQMJGHBRHFHSH-AREMUKBSSA-N 512.993 7.130 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38688750 WHCBMHGFVZJLOC-RUZDIDTESA-N 500.482 5.335 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813315 CLBOXLOZHITJEU-MHTZHOPKSA-N 526.036 6.554 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(F)cc5F)c(C)c43)coc2c1C 40826773 CBCWFVJCTTZPBO-WEMUVCOSSA-N 505.521 5.881 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)c(Br)c1 100157847 JRLFNEXWYJXEQQ-UHFFFAOYSA-N 541.442 5.044 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 100161097 HNRTWNDDGOMHJB-UDWIEESQSA-N 525.830 6.798 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100163950 WWFNLACPNWEMND-UHFFFAOYSA-N 577.328 5.430 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 100227314 OMYVQRFBHOPCJA-SLLOZXFSSA-N 576.406 5.372 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 100452293 IORQCPUYIVSXRH-OADPBGPJSA-N 564.249 5.894 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 100918966 DWEFOAFZTVKXLF-UQEHBSDESA-N 521.853 6.815 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241113 WWGDWHMRAVLOCD-HEQFHQOESA-N 538.456 5.745 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337602 KFGJQGTZYNDYEU-KDIMXHFCSA-N 556.666 6.990 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 101339530 HLIAZVHAVXNLLL-AJBULDERSA-N 619.747 5.671 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 101371106 NBGHFFDKDBZIJN-QFIPXVFZSA-N 529.749 5.444 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101374141 LQRPHOWMTPDINX-UMSFTDKQSA-N 574.677 7.220 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 101377966 XMIMMSGZJVZZQY-UUWRZZSWSA-N 546.667 7.555 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379199 DVRSXVUXMXWYRU-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385103 QFIDRFXDARISTH-HKBQPEDESA-N 532.596 6.328 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1c(Cl)cccc1Cl 101766153 DYWFKLFKVMSNRR-KNBZMSCYSA-N 600.724 7.143 50 10 KKGE N#C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)S(=O)(=O)c1cc(Br)ccc1Br 102964894 DKSKUGJKCNLYNZ-XGICHPGQSA-N 559.129 5.753 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1 103797276 RJEGXAYEXJGQDT-FDALDRLYSA-N 582.075 7.987 50 10 KKGE Cc1sc2nc(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103908524 VYBSSGICJMMIKR-MEFGMAGPSA-N 564.717 7.037 50 10 KKGE Cc1c(Cl)cccc1-n1c([C@H](C)N(CCC(C)C)C(=O)[C@@H](Cl)c2ccccc2)nc2ccccc2c1=O 109382039 FJOHNWVZEOZRDK-IDISGSTGSA-N 536.503 7.263 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)CC1 110557419 AAMOUERAMIKDHA-NCELDCMTSA-N 562.699 5.911 50 10 KKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 206542739 RMCIVRZMRRHHBI-XYGWBWBKSA-N 506.558 5.401 50 10 KKGE Cc1ccccc1[C@H]1C(C=NNC(=O)CSc2nc3ccccc3s2)=C(c2ccccc2)Oc2ccccc21 252598693 DCANPJPPOYCENZ-SSEXGKCCSA-N 547.705 7.435 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254594654 VDVLGGHBGPBPIT-UHFFFAOYSA-N 577.460 6.222 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(I)cc2c1OCC2 380125796 RTQBPLPACYUTLP-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1CC[C@](C#N)(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)C1 504477800 WSHVZBOFAHCWLS-QCDSWUKFSA-N 527.745 6.677 50 10 KKGE in-vitro CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591376 YUZLCBDCWPRCMA-CNCMDCEZSA-N 620.771 6.056 50 10 KKGE ClCc1nc2cccc(Cl)c2n1-c1cc(I)cc(I)c1 690395280 HTUVKFAMARDRQX-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1083924756 PNZXAKYNECWDFW-IWIPYMOSSA-N 588.445 7.140 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 1083959424 JJURVHCCZVDLNL-UHFFFAOYSA-N 536.741 5.258 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084130552 YDPUOINTWDWMQL-UHFFFAOYSA-N 674.116 7.458 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 1084209164 WPCOSUWTJRBSLO-CJLVFECKSA-N 536.857 5.937 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084243189 RKUIPZAEPHKKGS-UHFFFAOYSA-N 559.622 6.502 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084349090 OEDXKZJBAHUGMN-UHFFFAOYSA-N 511.416 5.898 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084446488 ICQCYPVWABIYEG-JOCHJYFZSA-N 662.149 6.903 50 10 KKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Br)ccc1O 1084508159 KWOHZJGDCNMVKW-UHFFFAOYSA-N 517.302 5.204 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 1084538105 IUMFCJFGBIZTEA-UHFFFAOYSA-N 509.584 5.296 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cccc(OC3CSC3)c2)cc1)S(=O)(=O)c1ccccc1 1084560693 ALUHKGUPXSZQOQ-UHFFFAOYSA-N 606.169 6.302 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1 1084618984 BHYYLMWTFSRULS-HZHRSRAPSA-N 642.335 6.197 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1Br)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084626815 UQYLUNGXUBKPLZ-UQARTHHBSA-N 564.524 7.188 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746756 GLRSCCSJBLBHNK-UHFFFAOYSA-N 548.242 6.137 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749426 NBXIOYLAVFVJME-UHFFFAOYSA-N 530.400 5.378 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752421 KBUFCGZEGYXTPP-UHFFFAOYSA-N 656.556 6.074 50 10 KKGE O=C(OC[C@@H]1O[C@@H](I)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 1857789458 OBAQAMMNGFXDKS-FVYAUOJASA-N 706.485 5.680 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688070 IBQNELPWXZOKGV-MUUNZHRXSA-N 541.051 6.326 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865690920 FAOFBYBJSKMMBA-NRFANRHFSA-N 543.849 5.866 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865692544 BZNHVNHCVFEBHH-RUZDIDTESA-N 514.988 6.398 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697590 XJNYBJQMJZIDDW-HHHXNRCGSA-N 575.040 6.413 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701514 XFMCGCGQSLLEQN-AREMUKBSSA-N 549.433 6.737 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703655 YBRVEAXYXILTGO-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704343 TVXIOUXABSZLIH-WJOKGBTCSA-N 561.085 7.488 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Br)cc1 1865714778 PXZPOPUJLYVJQC-IBGZPJMESA-N 511.301 6.025 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866704447 CSPWTCSDNXZHGN-FQLXRVMXSA-N 552.725 6.038 50 10 KKGE C[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867139789 RAJOVIHJWDLLHR-HXOBKFHXSA-N 508.441 5.688 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434217 YFJLXBDSWCDENE-UHFFFAOYSA-N 556.051 6.287 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1868505230 DGUFKPJKGCXBFJ-OYRHEFFESA-N 518.687 5.404 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 1872743558 ATHHINIPONTKQK-BXTVSJRGSA-N 505.599 6.821 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872782541 LYGYWBQCKNMKTF-SRZZPIQSSA-N 505.437 7.587 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872792227 MGVDZUWIGKGLPU-HZHRSRAPSA-N 515.078 8.413 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccccc2I)c1Br 1922933137 SHMQFOQTAGEZDO-JTQLQIEISA-N 506.428 6.514 50 10 KKGE COc1ccc(C)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595738 DIROMJYQIMTHRT-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE COc1c(Br)cc(Br)cc1C[C@H](CBr)NC(=O)OC(C)(C)C 1975072416 PSILQPRICSBMHI-LLVKDONJSA-N 502.041 5.051 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1CBr 2065322022 RZPRYFQWGQOWHR-KMKAFXEASA-N 630.579 7.159 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2(CC3CC3)CCC2)c1Br 2069472929 REDAGUQRSWGTCK-SNVBAGLBSA-N 521.938 7.442 50 10 KKGE C[C@@H]1C[C@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2085496152 VQZQUFWWDHEMCG-FCNWNZSISA-N 522.300 7.063 50 10 KKGE CCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085497187 ZFEHHYZZXGHWQJ-GFCCVEGCSA-N 524.316 7.597 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 2107099015 OYENTMPKJRGZED-SECBINFHSA-N 509.872 7.073 50 10 KKGE CO[C@@H]1C[C@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2141469965 YAYODKVUSPSSFE-BVJGAWNJSA-N 538.299 6.442 50 10 KKGE FC1(F)[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141471532 SNOXURKKRPHUCS-NXEZZACHSA-N 544.253 7.062 50 10 KKGE CS(=O)(=O)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141471988 YPMWPNLFKQVICV-SNVBAGLBSA-N 604.778 5.750 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cccc(Br)c1Cl 2166824635 KNUXJYIQGSCDLG-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE FC(F)(F)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206396391 WFTHFBPVVSRCNL-SNVBAGLBSA-N 564.259 7.749 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2206398516 WAADQOJGIXAFIJ-CPQOCUOSSA-N 594.805 7.999 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2CC3(CCC3)C2)c1Br 2206400943 GEOFMPZVLVIINM-VIFPVBQESA-N 594.805 8.143 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1Cl 2232530532 SDYIHMYNOHMEQI-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE FC(F)(F)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2232583141 YMHGJEFRWZXVTF-UDJQAZALSA-N 608.710 7.761 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)s1 2233014007 NJTYJVNWUSYOBD-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1cc(Br)ccc1I 2278095561 CIIHDLYYNRZEOT-ZDUSSCGKSA-N 548.490 7.421 50 10 KKGE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 2293631495 MJDGUHJEIVTMQZ-TWVAGNJJSA-N 615.506 6.327 50 10 KKGE CC(=O)NC(=C(S)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2295123249 UUIZBKDBTGTOSI-UHFFFAOYSA-O 521.067 6.619 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2295491710 AWZGIINIBOSUDU-CQSZACIVSA-N 515.517 7.934 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 2296495438 APCFYQLDRNFPGK-UHFFFAOYSA-N 514.525 6.628 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2sc(Cl)cc2I)c1C 2300956544 BADPEKRXNLPMJH-VIFPVBQESA-N 526.484 6.931 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)cc(Br)c1 2303546671 HTOODPIYAGRZRK-KRWDZBQOSA-N 520.059 5.312 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(I)c2)c1 2313510909 CQIIEYLAMKDFEY-UHFFFAOYSA-N 634.255 6.637 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313545954 RHWBHCOZYGCOHU-UHFFFAOYSA-N 662.355 6.831 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 2313567946 QEACQAOZDJIYFP-UHFFFAOYSA-N 580.047 5.935 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571008 LGCQFKFTKJFSKR-UHFFFAOYSA-N 529.161 5.717 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571255 QWAXKVUJNCISRS-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(OC)cc3)C2=O)cc1 2314592588 YETLJUMBWULJOQ-NDEPHWFRSA-N 525.674 6.411 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592747 AZCPOSVKAVQUFN-DJUQAAIZSA-N 537.729 6.895 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620416 PPXHMSIQGINHFA-UHFFFAOYSA-N 512.993 6.029 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634572 JPYJISDJEWMIOY-MHZLTWQESA-N 502.954 5.584 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCC(C)C 2314647019 ZJCSDHYFGJDXEA-PMERELPUSA-N 646.769 5.799 50 10 KKGE CCN(C[C@](C)(CBr)OCc1cc(Br)cc(Br)c1)C(=O)OC(C)(C)C 2315462602 IFICGSITJXMARW-SFHVURJKSA-N 544.122 6.139 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c1OCc1cccc(C)c1 2331432140 UGTGGGFCHDVNOK-UHFFFAOYSA-N 517.448 7.533 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(OCC)c1 2331473957 QXBJQLDZOMAPRA-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362225289 PSSJYCVTDHUJAB-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2377614902 MIIAZOOWBGGFFC-BPLDGKMQSA-N 518.027 5.147 50 10 KKGE O=C(N/N=C/c1ccccc1Br)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 20509465 XRQDNZRJTKMRMX-NDZAJKAJSA-N 512.407 5.984 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38685172 WEOHIFPDWNJJTR-GDLZYMKVSA-N 512.606 6.338 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822820 ZWDNRJBQEKYLAJ-KVQDIILNSA-N 514.585 6.526 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 40890428 SCDJCUSOBGHUFE-NGRIYPKZSA-N 506.599 5.323 50 10 KKGE CS(=O)(=O)Nc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 59186271 KPRMYNMPHNCTDC-UHFFFAOYSA-N 531.617 6.790 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1 59303908 MMGMSIOKENFSFD-KKMKTNMSSA-N 501.739 6.331 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100210912 YYWBLGPXGKZJMZ-UHFFFAOYSA-N 611.562 5.735 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101337044 XPJAHXRDTJOZCH-RELXFMCYSA-N 584.676 6.198 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 101339528 RMDZAJQEPNIPIY-NDZAJKAJSA-N 542.639 6.429 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101368009 FHYWPYGFXQCYDA-MHZLTWQESA-N 553.442 7.008 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380836 BUCOFZAIGWSOEM-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386742 HBRYQFMTVTUNDC-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101394627 NWISQQCDODPICL-VWLOTQADSA-N 531.033 7.089 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396509 RNNQIQIIEKAVEQ-VWLOTQADSA-N 613.950 8.868 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612124 XBWHDGIMRGDPAR-MWAVMZGNSA-N 526.420 5.329 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)Cc3coc5cc(C)cc(C)c35)CCC4)ccc21 101620137 JWPVWASGITUUST-ACPRRRJJSA-N 586.692 7.730 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102421240 HQWXMRDMJZLDSE-JXAWBTAJSA-N 588.870 7.540 50 10 KKGE COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 103201049 BPDKIEKWCSVVBW-TUFWYKIZSA-N 548.599 6.342 50 10 KKGE CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 103649538 STRDKVGOVBKHAX-MFOYZWKCSA-N 505.949 6.739 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)O)cc1 103878535 PBOZRYXQNLHCIZ-MUFRIFMGSA-N 532.394 5.443 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1 103879598 JVDZBCFLCHHXCO-FJEPWZHXSA-N 533.809 7.345 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 150347507 FBPOCPYBCJWDGI-VTNSRFBWSA-N 626.960 7.087 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N/S(=O)(=O)c3ccc(C)cc3)[C@H](Br)[C@H]2Br)cc1 150401505 FLELJGYJBJTRIZ-SSZVCQQNSA-N 624.376 5.200 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433385 DXJFEYATPJPZQO-WJOKGBTCSA-N 700.402 9.114 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150463654 AEWQKMFQQIPCFJ-YKQTVREQSA-N 662.768 5.562 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485358 DUGOKLAJOHHRNC-JGCGQSQUSA-N 631.512 7.400 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 164639124 XIIPDBJNJDKVRV-HASSKWOGSA-N 652.545 7.686 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OCC 207297124 XMBMNEQRZYOPBV-QJOMJCCJSA-N 509.599 5.671 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 214372076 XMEGPCXOTNZVHX-OFWBYEQRSA-N 602.691 6.180 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214400499 WMSKPSPGHZVKNU-JDCMOKTRSA-N 586.692 6.562 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2csc3c(Br)cccc23)c1 232482714 WMZJCILNAJRPJN-CQSZACIVSA-N 539.912 7.673 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]5[C@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 253498432 JLDCYPYVMUNTNF-LDNVGUKBSA-N 722.687 11.403 50 10 KKGE biogenic CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCCC)cc3)cc2OC)cc1 254340906 AOUZGTSYITWCCR-UHFFFAOYSA-N 504.583 5.646 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(N(CC)CC)cc3O)[nH]n2)cc1 254390996 AVLVTPJPBHLRON-UHFFFAOYSA-N 505.663 6.132 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 254442447 AXTAXUYQNAQXOX-QUEXSVQRSA-N 512.595 5.367 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 254627244 HRWSJWNIYVPNCL-UHFFFAOYSA-N 587.894 8.268 50 10 KKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 254739235 YGYSWKMASDMTAZ-SLDJMTOLSA-N 544.702 5.551 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 254750214 ISTYSKOFOJXSBX-UHFFFAOYSA-N 678.830 7.583 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1cc(I)ccc1Cl 312486840 XPMZMDNCTSFAKX-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE CC[C@@H](CBr)COc1c(I)cc(Cl)cc1I 380478473 PQIXZCCMENJNFR-ZETCQYMHSA-N 529.381 5.349 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1F 398611599 ZRXJYHKVTWITKY-NSHDSACASA-N 537.793 6.876 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@@H](O)[C@]3(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 575417335 OPYUSJFJMUNXDI-JYERGCRUSA-N 978.338 7.930 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 725382870 VYBKMEILYLDJHC-UHFFFAOYSA-N 690.063 7.978 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c(C)c1 725385705 YBMNFNVVZOBOKP-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083890367 QGCOMLKCCOFXRS-UHFFFAOYSA-N 555.370 5.068 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 1083994089 CBACIUMFKFROMD-UHFFFAOYSA-N 511.666 6.887 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1C#N 1084465734 VPYRVQPCSLBWMM-GIJQJNRQSA-N 557.231 6.761 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1 1084467397 VQTDOKLVCVXOPH-DEOSSOPVSA-N 622.887 5.895 50 10 KKGE Cc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1Cl 1084562842 TUPGUJSFXUMCSM-UHFFFAOYSA-N 529.765 5.468 50 10 KKGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)OO 1615257443 JZASRXZWIPRQHB-PUBWCZBPSA-N 680.876 5.263 50 10 KKGE Cc1ccc(CNC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749240 JQOCJFMJLDUGME-UHFFFAOYSA-N 514.409 5.369 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1772754842 YARPOPQMUMEIJC-UHFFFAOYSA-N 542.268 5.708 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 1772755752 QNTMFADLKBUMHI-UHFFFAOYSA-N 523.471 6.635 50 10 KKGE CCCCCC/C=C\CCCCC[C@H](CC(=O)O[C@H](CC(=O)OC(c1ccccc1)c1ccccc1)CN(C)C)O[Si](C)(C)C(C)(C)C 1848434862 OWWXMQBBDRZOAG-MHCUSYAJSA-N 680.059 10.440 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690552 UVSDNIWNEQXMDY-JOCHJYFZSA-N 567.365 6.451 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865692810 PMORBEDYQDOCTO-DEOSSOPVSA-N 571.903 6.452 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696987 MKSASVHLEDXVGI-MHZLTWQESA-N 557.050 6.274 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865697138 NZCQBRQEHOJRBD-DEOSSOPVSA-N 527.452 6.206 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699513 WAMNGFVZSRPZAP-SANMLTNESA-N 556.453 6.624 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702773 FBSNHUPUMXUXHT-MHZLTWQESA-N 511.025 6.584 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704069 MARXSVWRQSYTEX-SANMLTNESA-N 575.894 7.038 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704255 RHJMVBBCRNXFOY-VWLOTQADSA-N 517.416 6.539 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705575 ZHFHOXQVOWECEP-QHCPKHFHSA-N 527.408 5.600 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706309 SQRSRNCQGGYNTO-LJQANCHMSA-N 504.761 5.580 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866789177 KGMPKNIMXWHDKV-RUZDIDTESA-N 547.702 5.411 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2nc(C3CC3)n3ccccc23)cc1 1866861300 FSZSQCTWCLZDRS-HSZRJFAPSA-N 527.675 5.455 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867067301 VVHVTAQQMDNCTN-SANMLTNESA-N 588.686 5.746 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867217919 YJJPFXXAOAVYOQ-SANMLTNESA-N 522.630 5.007 50 10 KKGE CN1CCN(CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c2ccccc2Cl)CC1 1868207639 QHIOKIFAOCBJEO-UHFFFAOYSA-N 570.166 6.423 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3ccccc3)n2)cc1 1868364728 DZDBHQBKIQDLHD-UHFFFAOYSA-N 530.657 7.041 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 1872744244 ZOSLEIIOWZVNSJ-LCUIJRPUSA-N 505.599 6.821 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)c1 1872744581 ZBPXNRUONQALMT-BXVZCJGGSA-N 517.610 7.278 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 1872755345 JBMRJKAULKHCMS-QYQHSDTDSA-N 508.640 7.135 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c2ccccc12 1872758440 AAXHYONUOCTMAS-PYCFMQQDSA-N 510.356 6.526 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OC 1872790311 ZAJGDMQFZJECFS-XQNSMLJCSA-N 506.668 7.639 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 1872791224 CJQAJYUJJCZBRI-YBFXNURJSA-N 502.426 8.241 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(=O)OCC)cc3)n2)cc1OCCC 1872818088 MIEMFUDOHFOJPH-DAFNUICNSA-N 508.596 6.873 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cccc(I)c2)c1Br 1924586337 WNFBSXLGRKGXST-MRVPVSSYSA-N 615.748 7.125 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1c(Br)sc(Br)c1Br 1924611476 BCGIABUXCSBVSC-VIFPVBQESA-N 650.193 7.731 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@H]2CCCC[C@@H]21 1924614826 ROJRMENWDMMWRQ-COMAGPEQSA-N 505.541 7.922 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 2003649086 GBUATLHAKHOAOM-GOSISDBHSA-N 504.181 5.492 50 10 KKGE CC(C)(C)[S@](=O)N[C@H](c1ccccc1)c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2 2080770733 LJVIRCGVEIEVNU-ZADIWHOSSA-N 515.615 5.315 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC(C3CC3)C2)c1Br 2141470722 KEHJTKTXJXFDHK-TYAJBCFHSA-N 580.778 7.609 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2sc(Br)cc2Br)c1 2172408496 OTYOVELOYFRMNQ-JTQLQIEISA-N 557.849 7.539 50 10 KKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2179825379 GKELEYGCKSCYQS-UHFFFAOYSA-N 519.299 5.270 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2206396462 XCBPVBWKPIIAOW-LLVKDONJSA-N 723.060 8.479 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1Br 2206401739 ZDICMNLDXSAJBJ-WBPNIITGSA-N 594.805 7.999 50 10 KKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(Br)cc2I)C1 2207270546 BWNYIVFWWFBMCY-MNOVXSKESA-N 515.027 5.126 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)sc(C)c2C)c1 2224056435 XIDGEHPVHFLQJU-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)c(C)c1Cl 2224303939 CRSNIMXABMYMPD-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c(C)c1Cl 2232528911 VIOZIMPIYFBTOJ-CQSZACIVSA-N 546.322 7.729 50 10 KKGE N#CC(=CNc1cccc(Br)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295887846 LUIOXZVSGKTAQI-UHFFFAOYSA-N 529.213 6.418 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2296636701 IVAFWGHFMDWKIX-JOCHJYFZSA-N 530.383 6.337 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297551511 OUAJZFWNOFUFQO-UHFFFAOYSA-N 526.730 5.776 50 10 KKGE COC(=O)C(=C(O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297736383 BUKPKAJDYUQLRP-GDLZYMKVSA-O 635.335 6.932 50 10 KKGE Brc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299491870 GRXXFMSUHODPMI-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1Cl 2313567740 NSKSVJXKJRNFFM-UHFFFAOYSA-N 536.459 6.227 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 2313567973 MYLPEDMFJRSWJA-UHFFFAOYSA-N 560.673 7.298 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1 2313570835 HCIINXORJDNUII-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE N#CC(=Cc1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571228 QGZOYBMKJPDZEM-UHFFFAOYSA-N 549.002 5.527 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 2313631699 UODZPIYNVARKHD-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)CC1 2314475695 AOGVQPBMHSQGGM-UHFFFAOYSA-N 565.724 6.634 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1 2314617418 XYOKIILLYKBZHU-UHFFFAOYSA-N 545.555 5.249 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314617947 DMVJUMZBYXDUFO-UHFFFAOYSA-N 545.437 5.321 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314618969 XNDADFVKPUISCB-XMMPIXPASA-N 534.619 7.046 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314620520 PRGMZAYPYPDHEU-UHFFFAOYSA-N 557.046 6.161 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 2314643142 DTLKZUPDTFPMGL-JGCGQSQUSA-N 532.571 6.550 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14033028 HKWHNCYDROBMNR-HNNXBMFYSA-N 512.459 5.056 50 10 KKGE Cc1ccccc1/N=C(O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 33915829 TYCANXIUXOVPSN-QPSWJSTDSA-N 518.436 6.472 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38684686 FCLOYWMIUPVQIE-GDJIYFAZSA-N 516.569 5.842 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38685406 HFPJZFCAGHIPFX-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)sc2c1 38687594 YVGNGRNAGITWBP-QFIPXVFZSA-N 507.398 6.954 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701272 YORXBMSAQGQYQO-GDLZYMKVSA-N 522.601 6.974 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC 95720882 QWVBGCWRHHXMRM-UHFFFAOYSA-N 570.896 12.170 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 97968672 UGKHXOVALLJLCC-RYEBZEHMSA-N 563.293 8.015 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1 100883566 SMRWXYXZOKZNAZ-MOHJPFBDSA-N 528.015 7.712 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 101012266 AVKOTRSCJOQVHJ-XHPQRKPJSA-N 558.613 7.202 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101367740 KGOIOBQPXBQOJR-KWMCUTETSA-N 532.568 5.604 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101367745 KGOIOBQPXBQOJR-JMQGSBJISA-N 532.568 5.604 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101371737 AZMIDZYKSIYNTR-AREMUKBSSA-N 535.394 5.440 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101372125 OVXZRSMQTKMMED-JLBZDQGGSA-N 593.507 7.798 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101375602 YTACEDBDALCLGT-WOPWWUTRSA-N 598.740 7.759 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379126 ZMZZUNBOKQWICF-MAEVIZKRSA-N 565.025 6.765 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc43)c2)cc1 101382067 FLSWHSRITKOPOI-GDLZYMKVSA-N 533.540 5.920 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385047 DZKPARJVAYDZIU-YTTGMZPUSA-N 615.513 8.189 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386409 MTHNZIAOWLDNAR-VTLMBFNKSA-N 611.094 7.081 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101392708 ABEIEGVSIBEBDV-DEOSSOPVSA-N 533.005 6.399 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(C)c2c1 101399314 IDGGNKWCGCLYTM-MGBGTMOVSA-N 621.089 7.982 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614097 NIPMOILCZQPCIN-KLFZOAQUSA-N 539.405 5.337 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 101680631 AIRZTABURXCDAP-NHFJDJAPSA-N 560.650 6.229 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 101710553 CZQLOPATSTWWRA-MEFGMAGPSA-N 554.606 7.664 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Br)cc1 103877235 MZQLVUVXWVZICL-WKULSOCRSA-N 568.265 7.029 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c([N+](=O)[O-])cc1OCc1ccccc1 103877994 MSFBGSYRLWZDOL-LGJNPRDNSA-N 524.327 5.455 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 103887933 LCHINEPVRYJTTR-ODLFYWEKSA-N 522.355 5.799 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929243 AFZJVXRDTXNIRC-ATZGPIRCSA-N 570.650 5.783 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 105061901 HLGUYPAZRLNNJP-KPGMTVGESA-N 580.424 6.832 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 118919369 ISLUIHYFJMYECW-KWIIRQRCSA-N 588.509 8.930 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461525 CZQXTTKIICUQNH-WJOKGBTCSA-N 671.931 8.182 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150482932 UOMJSYXPGRQDIQ-MUUNZHRXSA-N 633.940 8.878 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 164016434 VYVKMZDEWDKIOF-JJKQSNDFSA-N 693.506 7.135 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195962435 CXIGRSVIJKSIQL-PCVOWKENSA-N 500.928 10.418 50 10 KKGE COc1cccc(P(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)c1-c1c(OC)cccc1P(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 198004214 XHYCFRBYCKMCNT-UHFFFAOYSA-N 798.500 8.556 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C 206537012 BUYZWFLVWZKAQE-MGBGTMOVSA-N 633.773 8.842 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 254303053 PNPRASLSLYBLTC-UHFFFAOYSA-N 529.666 5.754 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 254375609 AHUSXJCAUMQRCG-UHFFFAOYSA-N 517.658 6.542 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccs3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254757355 LPJQVPJNOIRESM-UHFFFAOYSA-N 505.669 5.544 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCCOCc1ccccc1)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504697698 HWHRFDRXRCBUIC-HMVVSKLPSA-N 731.183 11.051 50 10 KKGE in-vitro C[C@H](C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](OC(=O)[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)O3)[C@H]21)[C@@H](C)O[Si](C)(C)C(C)(C)C 575232024 ALHDGNSPBBXBJX-HLPGPNPNSA-N 981.707 14.369 50 10 KKGE in-vitro C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 669678869 DIMYHZDULFSWLS-BLGLYBCTSA-N 641.142 11.150 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)cc1 725418009 YRSNSDVQWDLHQH-UHFFFAOYSA-N 671.617 7.025 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084054294 PIOKFBCMHQGVIH-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084387257 YBVCGZYVKDJWFE-HYARGMPZSA-N 532.984 5.092 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 1084482357 NXEZONZRXKYGEO-RUZDIDTESA-N 573.459 5.929 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\CO)[C@@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O)O1 1307286658 GLZXZXWXNKWZIJ-HDMHHZOASA-N 644.881 5.110 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c(OC)c1 1772743863 MKMQAUQXAWHJCI-UHFFFAOYSA-N 526.387 5.090 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 1776010680 NXUDOCUNEVFUGK-TXBWQUOYSA-N 618.822 7.805 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692956 QHWIAFFAONCRJW-RUZDIDTESA-N 563.441 6.149 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865694977 HBUPAGXAQJPKTG-SANMLTNESA-N 560.576 6.373 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1OC(C)C 1865696077 BUTHNZFTNHHDJF-MUUNZHRXSA-N 520.633 6.229 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865696680 IXUZUUSDVCCLLZ-FQEVSTJZSA-N 518.923 5.950 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701042 KHZIDNNXGVZEEX-HHHXNRCGSA-N 545.014 6.092 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702582 XHWOTJYHMIFOGF-IBGZPJMESA-N 508.178 5.666 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703314 SXLKBYUJSSHGPZ-GDLZYMKVSA-N 539.079 6.951 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707496 YARGZOWRJGQPGX-MUUNZHRXSA-N 578.113 5.401 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867209755 CQCWCYWKQDNDNJ-VMPREFPWSA-N 583.685 6.304 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)c1 1868364932 IOJGQLXZFVUBLR-JGCGQSQUSA-N 541.680 7.621 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c1 1868456076 JDRKCDCVFZGZFY-JGCGQSQUSA-N 559.670 7.760 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 1872749096 AYSFPYXLJDHVCD-VZCXRCSSSA-N 508.397 5.750 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 1872752275 UWQLBGOOWQLABD-VUFATCQFSA-N 509.587 5.986 50 10 KKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 1872756504 MTHHORQGHLONMH-JZJYNLBNSA-N 501.004 6.313 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)\c2ccccc2)cc1 1872756848 DGNGVQGJUXNXFR-FLSMQFACSA-N 515.034 7.823 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1OC 1872781930 WTGWCESGZVBLDI-LFVJCYFKSA-N 504.611 7.624 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1Cl 1872793863 YCULHEAFEUFZRI-YBFXNURJSA-N 523.441 7.777 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1897168845 NYSQKNZXRPSGHK-VVMIZEJSSA-N 513.476 5.572 50 10 KKGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1991457913 NYSQKNZXRPSGHK-FRBSRZPYSA-N 513.476 5.572 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)sn2)cc1Br 2056487254 JDGBWTUCERFJAF-LBPRGKRZSA-N 502.997 5.393 50 10 KKGE CCc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2059311691 AKASLCDUWLKAAC-UHFFFAOYSA-N 515.517 5.467 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1F)Cc1ccccc1 2059312780 PEYREKGLFFKESM-UHFFFAOYSA-N 523.443 5.183 50 10 KKGE C[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085493494 CJAYJTXDPGAIEC-LDWIPMOCSA-N 570.783 7.855 50 10 KKGE ClCc1nc2ccc(Cl)c(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2103489871 KSRUCRSXWZQOSX-UHFFFAOYSA-N 500.857 6.553 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2csc(Br)c2Br)c1Br 2136373137 ADMRFZQHZSFUFN-LLVKDONJSA-N 596.802 7.899 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23CC(CCO2)C3)c1Br 2141476328 ZJOUQMHLMUQURU-SKPUXYCPSA-N 582.750 6.742 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2148753833 XVJFSVIXOQBUGQ-INIZCTEOSA-N 525.904 7.384 50 10 KKGE CCc1nc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2206398031 PXABYBWSIHKQRD-SNVBAGLBSA-N 632.235 7.846 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)s1 2224781662 IPHPWWWLIIYQJE-SNVBAGLBSA-N 509.510 6.962 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2C[C@H]3CCC[C@H](C2)C3)c1Br 2225305154 GIHGOSSGHSKIQV-LAEOZQHASA-N 535.965 7.688 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1Cl 2232512475 UIVRKHYHGZNRPU-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)cc1Br 2267747961 CMFUSNHYAHEZLB-SECBINFHSA-N 576.732 7.919 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278026324 XJIMUZXLWOUGQJ-CYBMUJFWSA-N 592.941 7.577 50 10 KKGE COc1ccc([C@H](Br)c2cc(C)ccc2I)c(Br)c1Cl 2283554097 OBFYSMOFGCACDM-ZDUSSCGKSA-N 530.425 6.508 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198167 BOJJXJKDJRPQMI-XMMPIXPASA-N 566.908 5.888 50 10 KKGE CCOC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2295672305 LWOQKSBHEKKSOI-UHFFFAOYSA-N 515.374 5.996 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2297497571 BNHFWNDKTYWKAK-UHFFFAOYSA-N 532.036 7.609 50 10 KKGE COC(=O)[C@]1(C)CC(=NNC(N)=O)[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2CC[C@]13C 2297731179 UEHPPJREDWXIJQ-FXFNWDDYSA-N 581.798 6.447 50 10 KKGE Cn1cnc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2300297186 UXKVVFJCTNNAPV-YFKPBYRVSA-N 528.289 5.860 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1I 2301084874 YMPKSVJXDKLHTK-SNVBAGLBSA-N 553.428 6.403 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 2313568960 ZQVDXBUXUXMKJN-UHFFFAOYSA-N 642.118 7.794 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1 2313570696 DFPZRMWYPCVCSB-UHFFFAOYSA-N 595.118 7.952 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 2313570877 IHZITMRQPSOJJT-UHFFFAOYSA-N 562.280 8.162 50 10 KKGE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)C(c1ccccc1)c1ccccc1 2313681349 CDCGPTFCYUFTAU-UHFFFAOYSA-N 509.635 5.526 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)cc1 2314478918 XBWSXDSBBVSXQL-UHFFFAOYSA-N 502.618 6.346 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C(C)=C(C#N)C2=O)cc1 2314617356 WSQFAJMCYVXEMR-UHFFFAOYSA-N 656.742 8.073 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 2314617387 XIJGGQBQCVBMQY-UHFFFAOYSA-N 506.606 5.781 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1Cl 2314618780 UGVJEUNYKJVYMX-UHFFFAOYSA-N 545.039 5.610 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643256 MACSICBJLFKDMM-BHVANESWSA-N 635.160 8.452 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 2314753744 DHBVLEKAAFQXHP-UHFFFAOYSA-N 572.658 6.488 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)NN=Cc2cccc3[nH]ccc23)cc1 2321698210 MGPJUYUSHJEJDK-OAQYLSRUSA-N 510.638 6.585 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 2331245415 JETNHLVPQDCKFZ-UHFFFAOYSA-N 505.599 6.161 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OCC)c1 2331386657 XGOVLXJAYPNKBW-ICSRJNTNSA-N 503.624 6.010 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCc1ccc(C)cc1 2331417481 SZFBSOAPFVKHHM-UHFFFAOYSA-N 512.631 7.178 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2331430494 AGJBNBWPWCSHBW-UHFFFAOYSA-N 510.059 6.564 50 10 KKGE Clc1ccc(I)cc1CO[C@@H]1CCCCCC[C@@H]1I 2352252986 CTGMBWQEEAECJT-LSDHHAIUSA-N 504.577 5.988 50 10 KKGE Fc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360428305 ZYRNZFZCUBAVIV-LLVKDONJSA-N 509.797 7.281 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cccc(I)c1)CCCO2 2369640444 OVHLJYZRDNNPBK-MRXNPFEDSA-N 507.991 5.863 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14768627 WMIFUQAXRWSDJS-QHCPKHFHSA-N 501.410 5.824 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684682 ITNNRDDGZXBRFW-GDJIYFAZSA-N 516.569 5.842 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 58891626 CGLNDRBFHPHGJY-MPTKSEEOSA-N 511.416 5.391 50 10 KKGE Cc1c(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Br)cc1 96499286 SMESBQYQPBYYDA-JJIBRWJFSA-N 520.430 7.459 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100185726 HKZVTLABSBNVDZ-UHFFFAOYSA-N 559.288 5.895 50 10 KKGE COCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100200730 JRXRVRVYLIINQI-UHFFFAOYSA-N 568.468 5.099 50 10 KKGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc(C)c1Cl 100212704 NOPAZAHBWWNCCF-UHFFFAOYSA-N 590.927 5.055 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 100235731 RFBNBBKDVPIVIQ-COXVRVBQSA-N 610.332 6.706 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244875 RQKQJWXFVGHLHK-NLTRVXJZSA-N 532.463 6.131 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101333486 OKEXTODUCQQSNH-MWAVMZGNSA-N 550.703 7.137 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101337430 BLGNNPHZFFOXLN-XDQFAZSOSA-N 544.611 5.910 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 101367331 HBYPNVAFXWOFTR-MREIFWHISA-N 599.470 7.418 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367445 JGJPAOBYHNIYPS-MGBGTMOVSA-N 576.649 6.746 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1Cl 101369003 FXDGAWOSENJUIV-HSZRJFAPSA-N 590.257 6.601 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1Br 101370212 WBOXIZBVSBGXRS-VXFXUCHBSA-N 542.216 6.593 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 101372043 KGSRQAORLKHCEE-NDEPHWFRSA-N 533.024 6.745 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101374570 UYSIAITZISABNH-PMERELPUSA-N 588.657 6.117 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1C 101380455 BPKHBXRGZUHRQE-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386089 RLMKMYXYWYMOGP-YTTGMZPUSA-N 599.039 6.139 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)oc2c1C 101390970 IZWTYHYSNROVQO-HKBQPEDESA-N 556.618 7.374 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398476 DVEMEIWGJITDLO-SSEXGKCCSA-N 576.992 6.463 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399906 RADBALKLGBJYPT-MGBGTMOVSA-N 604.634 7.604 50 10 KKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)CCCBr 102779421 LUWIVAQHGUBHCB-RUZDIDTESA-N 537.901 6.563 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 104951942 LJZUFARCYXRMAG-NDENLUEZSA-N 532.463 6.694 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCc1ccccc1 108225821 PYNSZFZPVGQTOK-MTDXEUNCSA-N 500.623 8.129 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411494 IEVZKGQYNXLAKZ-XRWMEBAZSA-N 684.749 6.174 50 10 KKGE CNc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 163800231 UGIWWMSWNGYWBL-GZIVZEMBSA-N 624.014 5.210 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc(Br)ccc2o1 164649998 SAVDKOYOJRVKBQ-IPBVOBEMSA-N 644.090 7.450 50 10 KKGE O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(NC(=O)c1ccccc1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 195819276 HKFOXEBZJQEOHM-HEFFKOSUSA-O 693.676 7.234 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205777759 ZSEMQBNSQJLBRE-YXGHVCOTSA-N 684.749 6.174 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 206394487 ZYEXTIUEIIEUES-IMRQLAEWSA-N 544.563 5.203 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)c(C)c1 214225780 NZIZHZWQLHSBFK-IMRQLAEWSA-N 506.606 5.805 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214317052 GSJGEWSHTFQMKM-DXJNIWACSA-N 566.617 6.504 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214351461 FYAJWBPYPDTBMX-UQQQWYQISA-N 510.565 5.638 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214421443 AVJNBPOELMVTSD-VEILYXNESA-N 566.658 5.428 50 10 KKGE Brc1cc([C@H](Br)c2csc3c(Br)cccc23)c(Br)s1 232482297 ULEVAXXEBIDXDJ-NSHDSACASA-N 545.941 7.735 50 10 KKGE Brc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 232482461 XLDJVNKRWHILLP-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 234876312 IDGPDPHEDSKKQL-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1I 235927803 MKRCJMVYVIAMQM-SNVBAGLBSA-N 550.879 6.670 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(C)cc3)ccc21 254384266 IKHSOZNYWLFMRE-UHFFFAOYSA-N 558.711 6.921 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 254750903 SLFNIRJGHGUELS-UHFFFAOYSA-N 574.633 6.566 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 312405890 WBSVPURKORHQSV-CQSZACIVSA-N 619.860 6.078 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 380305051 GWQLVYJNTTWTBF-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Cl[C@H](COc1ccc(Cc2ccc(OC[C@@H](Cl)COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 504641184 VAZHIYOLCWXWAG-TVALRIBFSA-N 869.929 13.267 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 1083963625 KLEGUHOCBXDSSF-HSZRJFAPSA-N 545.419 5.664 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1083978027 AJCPDJDNAJMABL-ZDUSSCGKSA-N 565.226 5.730 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1084249492 DPVVDNSRMDNANZ-SZPZYZBQSA-N 607.758 6.846 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 1084273283 MVKUVOYIKSEYMT-HSZRJFAPSA-N 558.416 5.233 50 10 KKGE CCOc1cc(C=NNC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1 1084289467 PWOSZRWWJCIDQZ-UHFFFAOYSA-N 516.823 6.544 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 1084523943 AUGAMLJMOCRQMX-UHFFFAOYSA-N 560.691 7.256 50 10 KKGE Cc1cc(Br)ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(C)c2C)o1 1084598554 GKLPSLSMRLZFBG-WJDWOHSUSA-N 514.217 6.943 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1 1084645648 GKYWUUDQEVFCPA-RUZDIDTESA-N 555.469 5.708 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1615773202 HRYAQLIYKSXPET-UKRCFFTKSA-N 988.212 11.054 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4cc(Br)ccc4c3)cc2)cc1OC 1772719958 ADRDRXNEFOTALJ-UHFFFAOYSA-N 563.404 5.368 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743590 FWTGSAOOSATZBV-UHFFFAOYSA-N 508.416 6.197 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)ccc1O 1865681890 ZKHWGIDTZABWJZ-DEOSSOPVSA-N 514.969 5.524 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 1865685081 FBMQDQOLUKCCGX-VWLOTQADSA-N 509.396 7.217 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccccc1 1865693028 HIEKXSVLPZJURR-PMERELPUSA-N 540.623 6.735 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694873 DOGUYTODYYBYGP-HXUWFJFHSA-N 502.924 6.008 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701011 JRQLMDLDSCISBU-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702078 MFEXTRLKTVNKFI-DEOSSOPVSA-N 545.412 6.035 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865703129 NNFPTOGXTMYJFZ-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703146 OBOWLYQTMHFCAT-GDLZYMKVSA-N 555.078 6.983 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704811 FIHSRBUKVBRQKR-NDEPHWFRSA-N 536.632 5.948 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865705005 JYQRFIRYFJWCIX-MHZLTWQESA-N 527.024 6.007 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc(Cl)c1O 1865706711 CZBJZVMMUXZMBG-OAHLLOKOSA-N 541.711 5.239 50 10 KKGE CSCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867007284 HWVAGQQTJNJDEK-GOTSBHOMSA-N 502.105 6.064 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432989 DIASCIPCRRLECX-HSZRJFAPSA-N 501.015 6.087 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 1868528168 OLRVITOEVBRJOK-VWLOTQADSA-N 550.713 7.810 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872756493 MIJPFTKJRMFEBR-ATJXCDBQSA-N 513.059 7.430 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872792101 DZUWNNLBOILMTK-FYJGNVAPSA-N 523.630 6.058 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cscc2Br)c1 1899857628 BXQSDCGDAADPNL-GOSISDBHSA-N 517.080 7.336 50 10 KKGE CC(C)Oc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924601823 ZVSJVHRJLUOGDJ-GFCCVEGCSA-N 503.481 7.151 50 10 KKGE C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@@H]1Cl)C3=O 1933223655 TUASWIIAAPWHMO-SZPNCKNLSA-N 513.845 5.836 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)s1 1948823723 QOSBPANKGSPYJU-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE COCc1cc(Br)c([C@H](Br)Cc2ccccc2I)s1 2087569004 BIMKNTUNVSTWLV-LLVKDONJSA-N 516.036 5.940 50 10 KKGE Brc1csc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2090462564 ABQSFRIZFWZQIV-JTQLQIEISA-N 531.889 6.455 50 10 KKGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)CC1CCCCC1 2123200027 BIKNBAFHUYLGIR-UHFFFAOYSA-N 505.272 5.708 50 10 KKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(I)c(Br)c1 2167657223 YGIJSGKFKNDGCH-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE CN([C@@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2179790686 HTHMAQIMKAAGKN-WBVHZDCISA-N 537.339 5.410 50 10 KKGE COc1ccccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398576 WKCZNYSTCFQQMB-LBPRGKRZSA-N 592.745 7.230 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2231810261 FTIASXRUGWGYDG-JNKKYWAOSA-N 551.842 6.439 50 10 KKGE FC(F)C1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2232334531 ALAKWKKEWXOURS-ZROIKLNDSA-N 546.269 7.308 50 10 KKGE Cc1csc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2272721106 DPACVKLXSMDWSJ-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3scc(Br)c3Cl)c2O1 2279288424 RQOBLKDGOAIRCP-KGFZYKRKSA-N 501.465 6.734 50 10 KKGE COc1c([C@H](Br)c2cc(I)sn2)cc(Br)c2c1CCC2 2284591532 LWIHTPBUGMMRJJ-ZDUSSCGKSA-N 529.035 5.492 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1I 2288489030 ORGHJBHUNCHDBH-GFCCVEGCSA-N 580.830 6.887 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293189837 PYCYCMFERVIEKM-UHFFFAOYSA-N 508.372 6.441 50 10 KKGE Clc1ccc(Br)cc1CO[C@@H](CI)c1cccc(Br)c1 2295172776 BFQCUDDSCZOICG-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE C[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 2296500300 BZTGLKAYNPXDMM-GFCCVEGCSA-N 500.407 6.084 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1C 2297491162 JMQZCDOYYYAELV-UHFFFAOYSA-N 500.904 6.801 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2)nn1 2297592656 AEMLVGSXPNBJDS-UHFFFAOYSA-N 569.466 5.149 50 10 KKGE CC(=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(F)cc1 2297710435 HUMREEZDKFRXAR-UHFFFAOYSA-N 540.251 5.272 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1I 2300952954 CQDFUXKPHTYSBP-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2312254309 VKIMXZRHFOMABS-NVGOVIIQSA-N 523.910 6.287 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl 2313521324 GNILGSBGNHRGAB-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2[nH]1 2314415103 XRRYBHBCMZTJEQ-UHFFFAOYSA-N 528.015 7.712 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314616928 MZMVYBCTAKVPKH-UHFFFAOYSA-N 519.004 6.028 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 2314634575 KLSOVECDXPVZRC-MGBGTMOVSA-N 560.606 6.120 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)ccc2OCC)c(OCC)c1 2314748975 UYPYRDJTYAJEDW-UHFFFAOYSA-N 514.372 5.335 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 2314793190 MYMSZBZVXKTPGA-UHFFFAOYSA-N 548.636 5.047 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(I)sn2)c1Br 2315445906 QYRSUUBWXMOJKY-SECBINFHSA-N 545.824 6.393 50 10 KKGE COc1sc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2316709583 MXUHUMZWAMACDB-ZCFIWIBFSA-N 523.870 5.262 50 10 KKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331330680 ABDUXYOYABKFDG-NRFANRHFSA-N 501.564 5.085 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)CC1=O 2331412973 XZJVGFRKNLLZSK-GOSISDBHSA-N 519.623 5.553 50 10 KKGE Clc1ccc(I)cc1C[C@@H](CBr)c1cccc(Br)c1 2352430421 UNLXTZZDEQAJAB-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE Clc1ccc(I)cc1COc1c(Br)cc(Br)cc1CBr 2380521281 FERSZNZZULTDTE-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33378979 LATBQAZZLVNJMF-XHPQRKPJSA-N 506.606 5.486 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 35445897 NXZPUKIGWBACSV-ONUIUJJFSA-N 520.079 7.033 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 38658622 IVDLYWKPPNYPPI-NDEPHWFRSA-N 500.551 5.030 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 39884981 SCWSKOIKLISDBK-LFIBNONCSA-N 502.983 5.733 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811813 XVPIRGOYZGFELH-XHLNEMQHSA-N 517.379 6.193 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 58894882 PNGCDMXWVKVNDP-DVMDLWDRSA-N 529.008 5.819 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCc1ccccc1 101012594 KNPADOCGBXFPMN-IMRQLAEWSA-N 528.587 6.481 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246027 VWEQKSVQUPGMGO-TUJXDINHSA-N 550.511 7.490 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362349 NDLYBPSVHCYFEP-PMERELPUSA-N 583.438 6.231 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1c(F)cccc1Cl 101371103 NBGHFFDKDBZIJN-JOCHJYFZSA-N 529.749 5.444 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 101372388 IXRWRGBHTDYIGO-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 101374065 MPVRXTIRSNJVII-HKBQPEDESA-N 542.632 6.084 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379201 DVRSXVUXMXWYRU-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381399 JJHHXWWQBLEFJP-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381688 QBBJOTZSQMMJSR-HKBQPEDESA-N 532.596 6.490 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383689 GKLFJJOGVOONCA-VWKOYRGQSA-N 587.434 7.548 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 101393568 WWYBZWDLGORLDI-XMMPIXPASA-N 545.345 5.001 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)oc2c1 101394128 KTVMKIAOHLYMOR-VWLOTQADSA-N 529.390 6.558 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)c1 101396253 CBPCEPAHJJHHOZ-HHHXNRCGSA-N 565.453 7.174 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399343 JRBOPYCAKDLJJN-JGCGQSQUSA-N 621.089 8.036 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1 102933498 NXISHLKYTVNHOY-MFOYZWKCSA-N 571.327 5.038 50 10 KKGE C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 103627790 CEHAIYCQCHAOBX-HEOQCTJZSA-N 532.232 5.708 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741850 PHSDKRNJRVLTAM-VECHRTTRSA-N 601.353 6.541 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742881 RNQULPCBOVOPSW-QPSWJSTDSA-N 587.326 7.129 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 103887660 VVEZOMDWIKWUPR-ODLFYWEKSA-N 539.329 5.633 50 10 KKGE COc1ccc(C(=O)[C@H](Br)CC2(Br)C(=O)c3ccccc3C2=O)cc1Br 105418331 JOKJTGSEPYQXJS-CQSZACIVSA-N 545.021 5.007 50 10 KKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 107026599 PWZUXGJHIXSQJW-BOPFTXTBSA-N 546.465 6.118 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)COC3)cc1 115103966 GCRBGPPLGPPEAA-UHFFFAOYSA-N 564.605 6.900 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150388321 ITQISNHLGUAVHL-UHFFFAOYSA-N 636.149 5.151 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OC(C)C 150411267 BLOMOMISAILZGM-FPKQDGKISA-N 632.742 5.552 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 150462695 ULUIBUYKPDGBFV-ZNBSHBAVSA-N 636.705 5.384 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccccc1 205649997 LDOVADHTVOPJFK-URBYCWAPSA-N 530.580 6.111 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 205650978 LNCYIBJQPVPNFU-HIRAPWSPSA-N 540.616 5.966 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214400072 LBELOBHJUVTJJX-GTWSWNCMSA-N 572.665 6.090 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252603418 FQUYZFJIYBLGKA-UHFFFAOYSA-N 567.443 6.972 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NN=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 252640933 YYFAVFIXUFRSAA-QRWLVFNGSA-N 520.671 7.267 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(N=Cc4ccc(OC(=O)c5ccc(OC)cc5)c([N+](=O)[O-])c4)cc3)cc2[N+](=O)[O-])cc1 254303296 SMXHSSXSLKZKQG-UHFFFAOYSA-N 717.647 6.473 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc(I)cc2c1OCC2 312412710 XGZWHOQIDDEMAZ-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(Br)c(I)c1 380010214 DDHVZIAXROGITD-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(Br)c1 382698501 ZEGRTRJPQCNCPN-SJLPKXTDSA-N 514.201 5.545 50 10 KKGE C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 504264659 YQDQKLZJQQTFEU-IIYVIDIJSA-N 612.702 6.527 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(O)nc2=S)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 585662495 SNIWSGAYWNOCEI-JMJGKCIBSA-N 603.063 8.018 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4cncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586434 PPQDUERYNRWJQB-COTWJQCWSA-N 869.089 9.801 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591279 XORYGFNCJVGENP-XGWXAIBSSA-N 795.014 9.608 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Br 725437413 CLEKUMBEFWFQJT-UHFFFAOYSA-N 633.490 6.221 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc4c(c3)OCO4)cc2)c2ccc(C)cc2)cc1Br 1084024340 XNYGZKFFUYXOFZ-UHFFFAOYSA-N 636.524 5.654 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1 1084041460 AKLMEPLBHGSCJK-UHFFFAOYSA-N 645.612 7.869 50 10 KKGE COc1cc(C)c(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1C(C)C 1084180392 KETQHGPCXJOSHR-UHFFFAOYSA-N 528.716 7.636 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 1084222087 FFZXLGVYOQULHC-NDEPHWFRSA-N 560.647 5.454 50 10 KKGE C[C@@H](C=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@]23C=C[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]12C)n1c(=O)c2ccccc2c(=O)n13 1084288655 CFLHTDQMABEIIR-LWGRYVCESA-N 602.892 6.995 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084304015 LDCLCURQHGKQHQ-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084399819 FNJZMZUKNORFIX-YZSQISJMSA-N 678.368 7.042 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084425146 ZRUBSRQZTJNZTN-AWEZNQCLSA-N 502.785 5.481 50 10 KKGE CCC(=O)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084621822 OHZBZFFNKNMLGD-UHFFFAOYSA-N 505.097 5.338 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1554498779 WNVASWKCVVHYOC-YPGLYLKUSA-N 645.785 6.313 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684993 BVYSLTDRFAYAPQ-JOCHJYFZSA-N 537.834 6.785 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccc(Cl)c(Cl)c3)cc2)cc1 1865693216 MJBRFXYVKBRCOJ-QHCPKHFHSA-N 571.386 7.304 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OC 1865696262 CYCDDGLHNFAPSM-MHZLTWQESA-N 557.050 6.607 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1O 1865697264 YTJMDIRBUAANNL-IBGZPJMESA-N 557.326 5.739 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701497 WXENGAHLZXTUKZ-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865702834 GIUMTWQITDNMRB-GOSISDBHSA-N 519.321 5.661 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705767 FFNAAFMTFZSEAS-VWLOTQADSA-N 507.550 5.350 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706147 OYBQXYLOTBAOKE-OAQYLSRUSA-N 548.784 6.082 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712280 UUZNFCJKUFMZKF-PMERELPUSA-N 575.068 7.058 50 10 KKGE COc1cc([C@H](Br)c2sc(Br)c(C)c2Br)ccc1Br 1876918388 GCKUXJUAJVSCAP-NSHDSACASA-N 533.905 6.837 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924595701 CUEFXBONINSXSK-SECBINFHSA-N 558.742 7.780 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611660 DJCXVWLGMCRCIA-WENHOLORSA-N 507.911 6.764 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925600972 UHFPSBYGBCXTTR-SECBINFHSA-N 509.872 7.073 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925601676 XGQSMRZYUGGDNS-SECBINFHSA-N 509.872 7.073 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@H](O)CBr)c1I 1951626275 VKCCIBAYGIGEAO-MRVPVSSYSA-N 693.883 5.276 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)sc1Cl 2000997984 JZFRFFIGLPYCLV-ZCFIWIBFSA-N 544.353 7.543 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 2053622298 SZXWMUFBXDRFRH-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE O=S(=O)(c1cc(CBr)oc1Br)N(Cc1ccccc1)Cc1cccs1 2059265235 RPXDXVFRSUFIEX-UHFFFAOYSA-N 505.253 5.390 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 2069358260 ZMOVORWFEGTIJA-OINRKYNZSA-N 967.557 5.062 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)ccc2Cl)c1Br 2201068958 IRJFXMLCJBZZLS-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2224302584 NDGDWDFXKYTIOH-SECBINFHSA-N 548.736 8.324 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2234064842 GYGMRBJTQJICQM-MRXNPFEDSA-N 511.689 6.007 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2sc(C)c(C)c2Br)c1 2253465248 AEROPTGHCMQAPO-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2280677815 WNVNQNZJANEKQG-NSHDSACASA-N 610.829 8.406 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198205 IFYLIBDUDXMBIS-XMMPIXPASA-N 532.463 5.500 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1 2295489483 OYZNDKQLIFIBPC-UHFFFAOYSA-N 537.576 5.150 50 10 KKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506715 BLFXGIMTHXWAFI-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2s1 2296846528 UDLWYTKVUXEMEG-UHFFFAOYSA-N 537.670 5.998 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 2297710599 XGPDAZLRVFIYTN-UHFFFAOYSA-N 546.549 5.953 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2311499918 OAQUEUWHNYLFNT-XKSSXDPKSA-N 521.938 7.298 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1 2313568550 UNMFKIVHCWXHCR-UHFFFAOYSA-N 504.222 5.514 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448869 LBMIEUQANJMSLS-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314489441 PTVYSKHXEGYKIJ-UHFFFAOYSA-N 533.012 7.487 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314490072 XSIUFJZPNAQFQR-UHFFFAOYSA-N 510.022 6.550 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591819 FNXKQVLMASLEDF-DEOSSOPVSA-N 552.483 6.766 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(Br)c(Br)s1 2314770804 OEIKMYQECCUZER-UHFFFAOYSA-N 553.659 7.218 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)cc2I)c1C 2317774708 RYTYEGMJCABAEO-LLVKDONJSA-N 520.455 6.870 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(Cl)cc2I)CC1 2317810728 QSORNRSYZBZEJK-UHFFFAOYSA-N 591.655 5.666 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331294456 UBNALZQAUUEWIM-XMMPIXPASA-N 511.990 6.164 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 2331375999 CAFCGJPXHYFCGB-HJPURHCSSA-N 501.608 5.939 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331392201 BSHRQKONLBLWNB-UHFFFAOYSA-N 509.842 7.739 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2365835822 KPCDLYPPPQDHTK-LLVKDONJSA-N 633.219 7.944 50 10 KKGE N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2cccc3ccccc32)[C@H]1c1ccc(Cl)c(Cl)c1 3656957 ZKHAPVKIJFZIOU-ZWEKWIFMSA-O 505.450 5.872 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)cc1 38649843 YVACLODRWTYSSG-MHZLTWQESA-N 502.998 6.149 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1Cl 38687968 NVYXZJSMHREUBM-HSZRJFAPSA-N 513.352 6.359 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)oc2c1C 40530282 DPXLHXYQFXTHNN-HHHXNRCGSA-N 506.602 7.093 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O 40890572 WDZHPXPJUVQHFO-HMMYKYKNSA-N 500.938 5.395 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 40924773 BWXWKXDGEMEFRP-JFLMPSFJSA-N 518.104 6.674 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 58893619 KNTVJAVIWSTXHT-VHLXNKDGSA-N 506.342 5.524 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59305335 FKDOVTOYFNRICW-VFLNYLIXSA-N 517.796 7.135 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)c1 96476475 FVQXGFIJCSJCIE-UDWIEESQSA-N 511.405 6.915 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227652 OGVLYILIZVYTNJ-CIAFOILYSA-N 597.409 6.340 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 100335562 YKXZPPFABCAJHZ-VXLYETTFSA-N 569.355 5.641 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C1 101014603 XEGNYBGKMDNTGP-ROZSZVCVSA-N 557.720 5.316 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243051 SHAFLAPCJMRCIM-ZBLJKLLZSA-N 550.511 6.859 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1 101333528 IMAQZCQIVVBBQV-UQRQXUALSA-N 564.730 7.671 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1 101377759 HYKXIJICROZPPY-WLFOOSBLSA-N 522.645 7.181 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381354 OXAFPEFVWKYCQW-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(Cl)c5)ccc43)c2)cc1 101382549 SAMASQVLLJXPCJ-HKBQPEDESA-N 553.014 6.430 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399310 AGEFPTZMXRPMFD-XIFFEERXSA-N 621.089 8.036 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101647218 SSCZQCNTBUXMNG-IADYIPOJSA-N 567.654 5.855 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 101826364 MYMSZBZVXKTPGA-CUQWAZQQSA-N 548.636 5.047 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)cc1 102667061 OJJBMCDPXDCGHQ-RDKICWGTSA-N 522.457 6.675 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 103041714 FPPZGXODRBKBGF-STZFKDTASA-N 548.039 7.338 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(Cl)c(Cl)c1 103735406 DQVRYQKGUQLGCE-QFSHWATDSA-N 511.472 7.503 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2ccccc2o1 103796952 GNHWJOWNCRBOIQ-IPBVOBEMSA-N 552.639 7.498 50 10 KKGE CCOc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422931 HRUKYOUDBLOWTG-VYIQYICTSA-N 532.578 5.119 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 150441720 YMKQKPRDMGQFFA-DIPNUNPCSA-N 643.139 8.273 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 150484436 YLLPBRNECXOAMA-PMERELPUSA-N 631.523 7.909 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Br)cc1 150577911 CUWUBFYRXSXJQZ-CRQQIFMHSA-N 662.372 6.566 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccc(Br)cc1 164216964 WXAUYGNMOOBLOM-OKCVXOCRSA-N 644.393 5.786 50 10 KKGE CC[Si]1(CC)O[Si](CC)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1 195802325 QSRINYFVPGFLSO-UHFFFAOYSA-N 511.045 7.493 50 10 KKGE C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 195857784 GWEYNQSYTRXNRT-VPOHWXGHSA-N 852.501 13.875 50 10 KKGE in-vitro CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 205665521 OKMOSDFLGOYASO-XYQLXSMDSA-N 556.662 7.400 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214286124 GSSGZYLKLGHOJK-CEUNXORHSA-N 544.611 5.357 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214297960 XZIRGGXLYDOLQN-DICXZTSXSA-N 524.665 5.359 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214313931 ZBFUWYOOEJDNON-MWLSYYOVSA-N 543.627 5.822 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C2=O)cc1 214402390 GMRYFUOYIPMULT-VQNDASPWSA-N 638.699 7.101 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C2=O)cc1 214402988 DMCMQMGEAUABRR-CZDOMKOJSA-N 675.811 5.803 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2csc3c(Br)cccc23)c1 232482183 QWVSCOQJLCYMNX-AWEZNQCLSA-N 586.912 7.515 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 234842155 MYMONTZUVWNSER-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530966 NMSPCYRUGUNCPZ-KRJUJERRSA-N 720.661 5.130 50 10 KKGE biogenic C=CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 254382753 XLDXQVLLJFOVQG-UHFFFAOYSA-N 513.775 5.650 50 10 KKGE COc1ccccc1C=NNC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1 254385185 AMEMUQGYKCFFSG-IBGZPJMESA-N 535.073 5.481 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019025 GZSHTIMVPSVPCP-DCNFIHAJSA-N 548.308 7.055 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 302369959 LRXAYMBASCLZOR-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1 725383586 YKZCSGANTGZWKR-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084014629 OXDOALVLGZCVBA-QHCPKHFHSA-N 603.413 5.141 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 1084187640 OXBWSZXFGTVZPY-DEOSSOPVSA-N 580.306 6.698 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)c1 1084203177 HHWBVLPIKIUCOC-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 1084229937 YTOCMXKZKFSJDK-BUVRLJJBSA-N 501.424 6.919 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084568854 NDSQHNMZVUVUBP-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE CC(C)Oc1ccc(C(=O)N(C)[C@@H]2Cc3cc(Cl)ccc3/C2=N/NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1614015104 CCIGCKNHTYZKJN-RDXMDRQKSA-N 574.987 6.249 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743629 HBYWBOSNJVVHSB-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865691234 NLYZVHBIILINFK-AREMUKBSSA-N 507.034 6.079 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865692065 IOYAVDNVQOYORD-QFIPXVFZSA-N 524.419 5.134 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865692154 JMGGSOXVSAKPCJ-JOCHJYFZSA-N 537.458 6.128 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OC(C)C 1865696548 HFXFUASVBCJUHG-JOCHJYFZSA-N 512.532 5.581 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706215 QJLARUMKIDAPJL-QHCPKHFHSA-N 531.931 5.526 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707514 YLGDPVJSARYNSZ-MUUNZHRXSA-N 524.068 6.392 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711794 IFAIPBIWWZUSOS-KRWDZBQOSA-N 554.268 5.095 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131785 NNDIEGOAQIXPFI-WOJGMQOQSA-N 509.425 6.517 50 10 KKGE Cc1ccc(C(C)(C)CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866788000 LSRMFSYMCMCATP-AREMUKBSSA-N 503.643 6.131 50 10 KKGE C[C@@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867183543 DENWHKGGUYNPSO-UQBPGWFLSA-N 524.111 6.464 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867286415 SRJVKLSAZOGITI-LJQANCHMSA-N 527.503 5.045 50 10 KKGE CCn1c(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)nc2ccccc21 1872731348 XHCJJUKYSVMJTK-LDADJPATSA-N 527.249 7.769 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745311 HJCWUMRHPPSVNQ-ATJXCDBQSA-N 510.531 5.741 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753910 UILLJXMVIBFGHX-PHFYZZCHSA-N 510.015 5.943 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1OC 1872759510 QXGJEZWSLZEERJ-NOOQSSRCSA-N 505.596 5.238 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2csc(I)c2)c1Br 1922928543 ADHSTAHGBVWPLJ-QMMMGPOBSA-N 512.457 6.576 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923055185 QFEUDLUNYPAKMX-SSDOTTSWSA-N 514.291 7.718 50 10 KKGE COC1(C(F)(F)[C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923075001 VNBTXASTOSXQSC-ZETCQYMHSA-N 503.428 6.567 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1scc(Br)c1Br 1924053975 VXWGMRZEXIADAQ-LHLIQPBNSA-N 518.894 6.670 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924584799 CNXKLFIHAHRXEI-RXMQYKEDSA-N 544.353 7.543 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1COc2ccccc2O1 1924600515 QXRMTYBXYSQQND-KWQFWETISA-N 503.437 6.156 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)sc2Br)nn(C)c1Br 2002830261 PJGIGTAWVXPJAC-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE O=C(C=Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 2042445789 KYWWIWXZRLGEIA-UHFFFAOYSA-N 551.546 5.042 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]32)c1Br 2085495947 UHAXHHODZIPRPJ-FHZUQPTBSA-N 566.751 7.219 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)cnn2C)c1Br 2136366953 MMVBRMPDKARTHW-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2179825070 CHTTWIKKRVSXLE-UHFFFAOYSA-N 519.299 5.270 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206397496 JUKHMESUGPRDKU-MCUHUUPVSA-N 558.280 7.308 50 10 KKGE CC1(C)[C@@H]2CC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206399799 LPPRDHGPUQLTGQ-RWYTXXIDSA-N 594.805 7.855 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2csc(I)c2)c(Cl)c1Cl 2217617851 KFJJOPRTNZMGCC-SECBINFHSA-N 561.291 7.560 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c(Cl)c1Cl 2232508768 AUYQZURGYZORLK-NSHDSACASA-N 542.707 8.263 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 2235606351 VVXVAYRKIAASEH-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)cc1C 2236008119 HXALLDWZXBQQNX-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE COc1c([C@@H](Br)c2ccccc2I)cc(Br)c(C)c1C 2284592959 WHOGDNFGPLCPKU-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1Br 2295300014 XHHFITYZVMLPHI-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)Nc2ccccc2)c1C 2296790190 VLISUKPTVFRFTN-UHFFFAOYSA-N 528.659 6.894 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297533796 ASJGDYYXGBLEPA-UHFFFAOYSA-N 600.325 5.844 50 10 KKGE N#CC(=C(C=C(CC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2297534692 LRFDSPRXRVHFMM-UHFFFAOYSA-N 504.973 8.039 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 2313518903 YQVWNXUTJIZYTD-UHFFFAOYSA-N 576.672 6.998 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(I)cc1 2313568081 RAEVQFBUAQLHTL-UHFFFAOYSA-N 633.530 6.253 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571000 LBWNNMTYASGREN-UHFFFAOYSA-N 720.088 7.235 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1 2314532590 LUENYIQHMJCENE-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592475 UXAPBMNPDIUEPE-SANMLTNESA-N 515.610 6.023 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592742 AYJAWTWMMQAORM-XMMPIXPASA-N 548.462 5.200 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593189 JBCZRHACXNNOFY-VWLOTQADSA-N 536.484 6.298 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314619971 IFKLFIGQRBFDOJ-UHFFFAOYSA-N 651.119 5.944 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314619981 IPCMVZQAKOHIAU-UHFFFAOYSA-N 612.636 7.189 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 2314646936 VLMAJMWZZJYAIX-MUUNZHRXSA-N 648.741 5.253 50 10 KKGE CC(C)(C)OC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2321698282 MREAZBSISNIUHH-UHFFFAOYSA-N 503.002 6.630 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccc(Cl)cc1 2331452161 MVCAHMNQCPZIQI-UHFFFAOYSA-N 517.006 6.886 50 10 KKGE O=S(=O)(CCCCCCCBr)c1cc(I)ccc1Br 2338405662 GTCHCBSQBRBTES-UHFFFAOYSA-N 524.056 5.173 50 10 KKGE Clc1cccc([C@@H](CI)OCc2c(Br)cccc2Br)c1 2366145791 XZXQCHBEHHWEEY-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(Cl)c2)C1=O 38607658 ZCHLHGWJKPFENP-LFVJCYFKSA-N 527.024 6.150 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38650762 DWPOLLDUALTHCA-VWLOTQADSA-N 519.395 6.065 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 38681143 XRIKHEGWMYROMT-NDEPHWFRSA-N 512.562 5.486 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38686162 TZWMYEMRIIBDID-PMERELPUSA-N 512.606 6.075 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811764 WLNGKZHIBBMMAL-WVZIWNLSSA-N 506.400 5.412 50 10 KKGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(C(c4ccccc4)c4ccccc4)c4ccccc43)c2cc1C 59148488 WEAUDFJBRAOQMF-WUZYOQQESA-N 513.601 5.310 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914952 VCNLOBFJSWGBFB-SANMLTNESA-N 505.030 5.381 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100172608 HRMOQVLTLTWJHL-UHFFFAOYSA-N 607.137 5.773 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 100238505 BBRLIPZCYCQVLN-APTYXWLQSA-N 545.463 6.334 50 10 KKGE O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1 100987528 JWVWXQIMJSNMOD-UFFVZDAASA-N 608.286 6.480 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(C)cc3)c2)cc1 101012488 HHPIXRNOQQAOHJ-RRAHZORUSA-N 554.650 7.371 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 101339588 DPTYADGVDSHSNX-NLRVBDNBSA-N 500.639 6.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101364857 VPESFGFQFNOTAR-NRFANRHFSA-N 516.178 6.193 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101373843 VHHMDQRTUXRRPU-MHZLTWQESA-N 563.448 6.464 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCCC(C)C 101375031 XCKGDJLLVWIKBS-PMERELPUSA-N 563.050 6.366 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383465 ZGDDJZIIWQLHRD-KTBRYMIGSA-N 581.068 7.072 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 101387982 QBFXAVRKFSEVCY-PGUFJCEWSA-N 604.703 7.589 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101393562 KAFNFNPVFQHOQF-NRFANRHFSA-N 602.293 7.417 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 101396002 VYGNOSPANOOPII-MOWUZIIQSA-N 574.762 8.165 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6c(C)c(C)ccc6c5C)ccc43)cc2)cc1 101397497 RMEYTDPQHHQBRJ-YTTGMZPUSA-N 570.645 7.683 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 101610045 PATHAMFKBUEKHT-MDAYZVFASA-N 549.627 6.006 50 10 KKGE N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102924154 LPACIAVQADDGPT-FMIVXFBMSA-N 513.304 5.703 50 10 KKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 103649700 GBMKHXQNZHAFPP-QNGOZBTKSA-N 528.505 7.936 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 103797512 VJNRMUSUXSQNRE-FMFFXOCNSA-N 551.488 7.387 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1 103817585 ZXLWWGHGMUEDAW-VXLYETTFSA-N 585.252 6.861 50 10 KKGE C/C(=N/NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 105422391 RZWKHEHBECOKQV-VYYCAZPPSA-N 545.275 6.036 50 10 KKGE CCOc1cc(/C=N\NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 105445762 UAQNKYMRJDOHLR-HWIUFGAZSA-N 571.699 5.627 50 10 KKGE O=C(Nc1cc(NC(=O)c2ccccc2)cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)C(=O)OC4=O)c2)c1)c1ccccc1 105685029 VYSIDNPQZQSSOI-UHFFFAOYSA-N 609.594 5.985 50 10 KKGE N#C/C(=C(\C=C(\CC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 107165618 LRFDSPRXRVHFMM-NPLUKTODSA-N 504.973 8.039 50 10 KKGE CCCCSC(SCCCC)=C(NC(C)=O)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 145024721 BHGKOLGGPNWYBM-UHFFFAOYSA-N 523.748 7.042 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccc(Br)cc4)s3)o2)cc1 150480809 SROXOZPGXUBBDT-HKOYGPOVSA-N 624.516 8.326 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 150482363 RIVWCDKROAMFRH-HHHXNRCGSA-N 633.940 8.878 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150484626 PBLIDTMCMCIOIR-MGBGTMOVSA-N 645.539 8.197 50 10 KKGE CCC[C@H](CBr)COc1c(I)cc(I)cc1I 166173358 UUHWTBFSZBIGKL-MRVPVSSYSA-N 634.859 5.690 50 10 KKGE Nc1nc(Cl)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 195800464 ZFOWXXCOIHILCT-UHFFFAOYSA-N 651.130 6.556 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 214284755 QCOGKLCIWKYTTK-IMRQLAEWSA-N 524.621 5.265 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214310460 SXNSINDFYWDZJW-YKQZZPSBSA-N 557.654 6.152 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 214357669 MYAAGVLLGDEIGR-IWIPYMOSSA-N 510.569 5.612 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)cc1OC 234932308 BALCAYSERIUYIL-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@@]2(F)Cl)c1ccc(Oc2ccc(C(=O)N/N=C/[C@@H]3C[C@H]4C[C@H]3[C@](F)(Cl)[C@]4(F)Cl)cc2)cc1 253388584 UXJICYMVFNDWNU-BZLJVQKTSA-N 708.367 7.841 50 10 KKGE O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccn(Cc2ccc(Cl)cc2)n1 254297145 KSUBUTZDPWIOFI-UHFFFAOYSA-N 573.878 6.843 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc(-n2ccnc2)cc1 254440470 IXXWQSYTUBBBQL-UHFFFAOYSA-N 507.597 6.909 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)ccc1O 254735925 FATXGKNATUSLHQ-UHFFFAOYSA-N 559.692 5.587 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nnc2-c2ccc(C)cc2)cc1 254759013 LKCZJVNHFQESFS-UHFFFAOYSA-N 557.679 6.800 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)c3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019301 SJQCQMTVXCPUAI-GHBVHVRQSA-N 622.398 5.881 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 1083932407 RWGWOHZVUOMSSU-XMMPIXPASA-N 608.302 6.292 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084046556 XBWDFAYMZLSXAI-KGENOOAVSA-N 601.328 6.599 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084184794 GVDFPMNEYSNNED-UHFFFAOYSA-N 579.122 5.800 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2sccc2C)cc1)S(=O)(=O)c1ccccc1 1084240442 DXDBYNGEPPKXPU-UHFFFAOYSA-N 538.094 6.178 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1 1084249539 YMSLBMCPYFYEDJ-GRSHGNNSSA-N 679.252 6.546 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084255197 SJABEEAVHNDSRG-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1O 1084408160 OUCCUFPRAKCRLE-UHFFFAOYSA-N 518.411 6.083 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 1084439215 BHLLHHZKBJDUQA-UHFFFAOYSA-N 708.369 8.302 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)NN=Cc1cccn1-c1ccc(Br)cc1 1084531755 AHCAIOZQMWTBOW-UHFFFAOYSA-N 607.100 5.842 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 1084606751 VDIIJDVFSLQRFA-DEOSSOPVSA-N 545.861 6.044 50 10 KKGE COc1ccc(-c2cc(=NNC(=O)CCCCCNC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 1565518360 FMKWKGNGNJAPQI-UHFFFAOYSA-N 603.760 7.153 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 1614653292 SEXJYDGCBZHKEU-IMFYXPRTSA-N 553.728 6.732 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772749306 KYDQUDNZGTXGNK-UHFFFAOYSA-N 520.010 6.818 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(Cl)c5C)c(C)c43)coc2c1C 1772751875 OSLMQEPSEHENQF-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684034 LNRKLWVXPBXYDB-JOCHJYFZSA-N 578.264 6.291 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865689573 SVBKMPZLYXUQBC-MHZLTWQESA-N 547.442 6.352 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865695860 IOFIUBYGCRLHOF-NRFANRHFSA-N 532.950 6.340 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865704143 OJXCBOZMNCXOFJ-MHZLTWQESA-N 547.442 6.602 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706654 BXJWPKWXVMBLSC-GDLZYMKVSA-N 538.095 6.782 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712178 RMPLVSKGSNIBFG-AREMUKBSSA-N 524.577 5.100 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C)c1-c1ccc(Br)cc1 1866131420 URENMSZFGFKXFH-GZTJUZNOSA-N 513.388 6.348 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)/C=C(/c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866695582 ZSOGSRVERJQGAW-IGFNKKCMSA-N 553.684 5.962 50 10 KKGE CCCC[C@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867029200 KHLQSGONAHXWRT-GOTSBHOMSA-N 549.722 5.627 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5ccccc5nc43)n2)cc1 1868527497 CIZDTCIPBMLCDS-UHFFFAOYSA-N 516.630 7.101 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758959 YMBRCKUMSRKUGG-MCUCDYOISA-N 512.418 6.620 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCCc1ccccc1 1872794966 GOOLNLUAOWWLAZ-DEDYPNTBSA-N 507.442 7.811 50 10 KKGE CCc1nn(C)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1877189243 YSODTKLPZMVIFR-SSDOTTSWSA-N 511.892 6.360 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CCBr)cc1Br 1915094117 DCTOPWMSDFBLPB-AWEZNQCLSA-N 554.142 5.884 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1sc(Br)cc1Br 1922942147 QKKNDNXTUSBHPS-VIFPVBQESA-N 524.297 7.173 50 10 KKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614629 PPTJNSPLTQNJRS-IONNQARKSA-N 511.943 7.544 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)s1 1948823262 MCJLCQHQAIZVSG-JTQLQIEISA-N 526.846 6.906 50 10 KKGE CC12COC([C@@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2025087882 JUEXWECJIYWXID-ARTQYDKTSA-N 509.883 6.041 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1I 2026133889 WVLXKOAHRBUOQP-LLVKDONJSA-N 550.879 6.670 50 10 KKGE C[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085495259 JNQUOULQGLHWLC-PHNJOPHVSA-N 534.258 7.308 50 10 KKGE Cl[C@@H](Cc1cccc(Br)c1)c1ccc(Br)cc1I 2086146368 YSXQCMGAOGASKH-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)cc1Br 2094090996 NVGPQUIPPDGTQR-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE CCC[C@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121068197 MMMLTUSDCGEAJW-JTQLQIEISA-N 519.406 5.477 50 10 KKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)CC1CCCC1 2123368038 APJZWCKXVFJXCN-UHFFFAOYSA-N 501.284 5.725 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2138852233 RMZZNETXGFSDDD-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)c1C 2157250511 FIUJRQLSPVZLAK-CYBMUJFWSA-N 528.047 6.151 50 10 KKGE CC(C)(C)C1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394909 KFBSOFZKBSGALS-TYAJBCFHSA-N 596.821 8.245 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206400660 RYAMPKLNISQKKZ-NSHDSACASA-N 631.609 8.528 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c(C)c1Br 2227350601 XOXQHHBGKDKIEO-LBPRGKRZSA-N 507.900 7.681 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2232833584 OBISFFUNSRLUMW-LLVKDONJSA-N 524.838 7.698 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)s1 2268287711 QBIJHHXOABCTFC-GFCCVEGCSA-N 536.454 6.399 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(Br)c1Cl 2283551207 IEXCYPHUCPDXSY-GFCCVEGCSA-N 595.294 6.963 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)cc(Br)c1 2288495878 AEQQBQYDULEJGV-GFCCVEGCSA-N 554.248 7.343 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCc1cccc2ccccc12 2294168571 SKOSLURPEDZVGS-UHFFFAOYSA-N 602.472 7.530 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cnsc2Br)c1Br 2300283511 UHJGATLHJONXPR-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 2313541172 YSKHCDCPCQXNEO-UHFFFAOYSA-N 576.368 5.348 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2314414519 BMOLKOZFUXOEKG-UHFFFAOYSA-N 570.045 7.249 50 10 KKGE Clc1cccc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314455377 OKCJYUZPSHZFIS-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 2314476953 YPYIBNZXYHWSCX-UHFFFAOYSA-N 579.060 5.935 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592060 LBRJXSQRFAFDMI-VWLOTQADSA-N 552.483 6.766 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594099 YZPUUPUYWDXCRP-DEOSSOPVSA-N 536.484 6.298 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618237 KAVPBWMFNDNGGR-AREMUKBSSA-N 536.632 5.408 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646981 XKEMWXLKHVDTSF-SANMLTNESA-N 639.531 5.218 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1OC 2314951453 VJVFLWYSPRFEMZ-UHFFFAOYSA-N 513.476 7.260 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cnsc2Br)c1Br 2315616538 JJHYAGGTJKBUNS-NSHDSACASA-N 518.894 6.532 50 10 KKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Br)cc1 2331051594 OWHLDHWFGGILAB-UHFFFAOYSA-N 537.366 6.170 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 2331402668 DKNSDCKXXOMMSR-NRFANRHFSA-N 501.652 6.406 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 2331431331 QOLYUVUHFUNJCF-UHFFFAOYSA-N 513.457 7.223 50 10 KKGE Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 2333271032 ZZMOJCPJGSXIEK-QAXCHELISA-N 737.165 9.389 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1I 2365176583 RACXQFNKTIRNQG-CYBMUJFWSA-N 597.285 7.354 50 10 KKGE Cc1ccccc1C[C@@H](CBr)Cc1ccc(I)c(Br)c1 2377354587 WSXFMFOHUSPDFX-AWEZNQCLSA-N 508.035 6.158 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 35516565 JTUGDYARFHZHBP-WOJGMQOQSA-N 513.535 5.436 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 38655536 XAFQXZFUVBQECL-RUZDIDTESA-N 509.389 6.610 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38656038 IMKPPUBROOGTKE-AREMUKBSSA-N 509.389 6.319 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678739 ABXPSVZZACCVHC-LFVRLGFBSA-N 509.331 5.179 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701147 ZTIXEVYHFKTFPD-WUFINQPMSA-N 512.562 5.219 50 10 KKGE COc1cc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59680349 FJIACWITTNEIKG-STBIYBPSSA-N 518.411 5.996 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207513 WGSWZAVMWSPNDC-UHFFFAOYSA-N 597.535 5.149 50 10 KKGE COc1cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)ccc1OCc1ccc(Cl)cc1Cl 100311344 MVOGBQXRTDPVEO-AMVVHIIESA-N 554.386 6.822 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243003 UAXFMBWWFJSJFB-PZJRUVIDSA-N 516.066 6.206 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245966 FAHVDKWIMFWWAZ-IDJUBOEBSA-N 570.036 7.295 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362639 ZMHPQJDDUNMTPU-PGUFJCEWSA-N 564.641 7.221 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc(C)c1Cl 101365032 XMCOCAOYJPAOQK-DEOSSOPVSA-N 529.807 6.466 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374049 VBEHVDDHHJXTJK-JGCGQSQUSA-N 570.686 6.764 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 101375530 CVYDLDQCDZUUEJ-MGBGTMOVSA-N 570.686 6.864 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378908 WDLANJSBRNAVHQ-YTTGMZPUSA-N 546.623 6.800 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380678 GRNGQDWHZSSMBR-PMERELPUSA-N 591.422 6.914 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)c(Cl)c(C)c5)ccc43)c2)cc1 101382303 PZJYBOBLOMCMDE-JGCGQSQUSA-N 581.068 7.047 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384897 XOXBKBJADJMWRN-XIFFEERXSA-N 629.540 8.072 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)c(OCC)c1 101389166 GKBWWKVYRVHIBS-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 101397299 YTOFYNQLKPWPDW-PMERELPUSA-N 536.628 7.364 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 101595101 AYLARYNOKYVFPX-MTDXEUNCSA-N 526.387 5.090 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 101729280 QUOBVQNBSQQXGR-WLMJRQBISA-N 558.631 6.098 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 102006947 IFUCEQUCRGUJIJ-WKULSOCRSA-N 545.462 6.300 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@H](C)C2 102665440 MBORIWWEWWWVIQ-SUCHYCSPSA-N 539.451 6.618 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 103887477 VJCCUFROEVJZIF-ZDLGFXPLSA-N 607.673 7.140 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Br)cc1 104767454 RJUBJKDTIMSEMJ-OGLMXYFKSA-N 551.470 5.236 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 104768632 DIGGRTFZGRCSHA-RWPZCVJISA-N 615.351 5.526 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccco4)s3)o2)cc1 109557049 HJHBENMMEROLKR-QJOMJCCJSA-N 549.608 7.465 50 10 KKGE CC(C)(C)OOP(=O)(OOC(C)(C)C)Oc1ccc([C@@H](O)CN(CCCCCCOCCCCc2ccccc2)C(=O)OC(C)(C)C)cc1C=O 150358197 SYYNQXNYBXXVPC-XIFFEERXSA-N 737.868 9.350 50 10 KKGE Cc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1I 150386851 GZUXLYVOYFWCLY-UHFFFAOYSA-N 618.063 5.118 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150441864 LISKGVUSJWELSO-YTTGMZPUSA-N 651.930 7.827 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 150442751 FSCSYFGDEFYIKH-FHXVRGHPSA-N 631.487 7.947 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 150460554 RSWGLVGLSDUDBW-XMMPIXPASA-N 628.937 6.817 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485153 QHBWBUBSRVJDEL-OCWBAIOZSA-N 629.496 7.427 50 10 KKGE O=S(=O)(/N=C(\SS/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 150655598 RZFKFTQKHNPYKP-ZUSIYWPSSA-N 710.516 7.564 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)cc1Br 161118046 LVCFPJKLEZSOJB-CQSZACIVSA-N 576.746 7.529 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC(=S)Oc2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(=O)[nH]c1=O 198130185 SWCSKDJCJJBGIZ-VNFJPAQBSA-N 736.963 7.582 50 10 KKGE in-vitro CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205775807 QAZCLLCKCUQPKA-WSFYNJOLSA-N 618.715 5.163 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 214376589 FFBPSCJRJSYNNS-FSGOGVSDSA-N 554.650 6.513 50 10 KKGE CCOc1ccc(C)cc1[C@@H](Br)c1cc(Br)ccc1I 233775501 DHJNLEJXEUGWER-INIZCTEOSA-N 510.007 6.245 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl 252613287 JANANCSLNHAGFW-PPFCWGEYSA-N 518.404 5.409 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 254478518 IUWRBMSVRNWIIA-UHFFFAOYSA-N 524.573 5.331 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(OCc2ccccc2)cc1 254744982 LITKUKGYNWCCPX-UHFFFAOYSA-N 504.561 6.901 50 10 KKGE O=C(CNc1ccc2ccccc2c1)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254825625 LWETXAXQSGFYDS-UHFFFAOYSA-N 707.160 6.751 50 10 KKGE COc1cccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)CCCOc4ccc(Cl)cc4Cl)c3)c3cc(C)ccc3n2)c1 254833613 HZKXRKGRNZEQIF-UHFFFAOYSA-N 655.582 8.477 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)sc2c1CC[C@@H](C)C2 254872317 RWMSDXXXMIPYOZ-HXUWFJFHSA-N 597.693 5.819 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(C)cc3)cc2)cc1 254873219 HAUPSRXSNOUNKS-UHFFFAOYSA-N 592.652 5.734 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 504569494 DFUXHMHWOWANRY-ZMHMINGHSA-N 567.836 10.525 50 10 KKGE C[C@H](Cc1oc2c(c3c(c4ccccc42)O[C@H]2CC(=O)O[C@@H]32)c(=O)c1[Si](C)(C)C)O[Si](C)(C)C(C)(C)C 504659609 SXDPQWBXXUTVBE-OXSPQAICSA-N 538.789 6.193 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616584632 AQLURWHBCUUICR-MAARJSQOSA-N 710.852 7.267 50 10 KKGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(I)c(Br)c1 721593989 MUTIWCJQZWBBAX-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 725428155 XWNLMEFWOISXTJ-UHFFFAOYSA-N 576.744 5.560 50 10 KKGE O=C(NN=Cc1c2ccccc2c(Cl)c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 886000350 XPKMRWRGTPYKCW-UHFFFAOYSA-N 520.035 6.273 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 1083906926 VYRCOQSTCQCFNJ-UHFFFAOYSA-N 593.061 5.725 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1083918222 IYBNDBFQEGAKJC-KGENOOAVSA-N 526.851 6.482 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1 1084033453 YZVXRMQFVALLJT-XMMPIXPASA-N 667.338 6.004 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)sc2c1CCCC2 1084035612 PDDXPCZWWBOYNW-RUZDIDTESA-N 551.709 5.574 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(Cl)cc(Cl)c2)cc1 1084074319 CAXAGLUDDHOUAK-UHFFFAOYSA-N 638.404 7.362 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 1084127281 VBXLOKLLJAGKFI-QHCPKHFHSA-N 501.410 5.935 50 10 KKGE O=C(COc1ccccc1Br)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 1084164212 NONVNJSXAYQPDY-UHFFFAOYSA-N 543.424 5.647 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084334354 KZAXBEYYPLBCMM-UHFFFAOYSA-N 639.572 5.528 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 1084402119 KOXCZKZBCAFPGI-WOJGMQOQSA-N 516.222 7.189 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCCc3ccccc3)c(OC)c2)c(Br)c1 1772755773 RNMSLEZBAXLLIS-UHFFFAOYSA-N 539.470 5.951 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683447 DWDOPACODAYIJR-LJQANCHMSA-N 514.221 5.568 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688171 LXGKIQXGADJSIR-NDEPHWFRSA-N 524.596 5.481 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688362 QJXTWYZDUGHABV-PMERELPUSA-N 534.660 5.959 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1865688888 DIFFCJIAMSWXMP-MUUNZHRXSA-N 571.475 6.448 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865692716 OWZLCFUIJCYURQ-XMMPIXPASA-N 555.448 5.937 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865693474 JVWRIMRTTVKJMF-PMERELPUSA-N 575.068 7.389 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1865701291 RKEUDRUUOZPLDD-SANMLTNESA-N 533.415 6.293 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701449 VXKBJMHWMITPRJ-SFHVURJKSA-N 550.638 5.342 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704684 BTWFGCZQHBCCJU-RUZDIDTESA-N 512.997 6.207 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706448 XDDASHXJMDMJLW-JOCHJYFZSA-N 534.359 5.981 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(Cl)c1O 1865706681 CHJCCMJPSSTXOM-SFHVURJKSA-N 504.896 5.153 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865706886 HUFFPXWWZNADOW-JGCGQSQUSA-N 567.693 6.852 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712406 XRKLUOLBJORPBJ-JGCGQSQUSA-N 568.677 7.336 50 10 KKGE CSCC[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866599230 WMBRRFVJEABEGY-XMMPIXPASA-N 570.806 5.539 50 10 KKGE CCCC[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866759226 XYPHDTFSJYGQLP-SANMLTNESA-N 507.606 6.374 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)n2)cc1 1868320977 RTKBNZZJTFCQFP-RUZDIDTESA-N 514.054 7.000 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1868321017 SFPNXRUKBODGOP-UHFFFAOYSA-N 550.732 6.532 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)n2)c1 1868505025 CGMVQNIYTYWZEV-YTTGMZPUSA-N 559.670 7.760 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4c(C)ccc(C)c43)n2)cc1 1868527659 FGKFPCINMLTJOZ-FQEVSTJZSA-N 521.690 7.806 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872749110 BNRFEOUATNTXEG-BOLJVCIBSA-N 510.015 6.107 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 1872756219 FVLIQXFOEPFBMQ-KNGISPOXSA-N 510.015 5.883 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCCc1ccccc1 1872794877 BANAZBDEBKNYDL-HKOYGPOVSA-N 518.638 7.666 50 10 KKGE Brc1cccc(C[C@H](Br)c2sc(Br)cc2Br)c1 1922940907 MLPMODIKXSXHDH-VIFPVBQESA-N 503.879 6.714 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cccc(Br)c1Br 1924063617 TUQPZKGWNOFYQQ-OQPBUACISA-N 512.865 6.609 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1c(Br)sc(Br)c1Br 1924585934 RXQCHXSDRHHIGQ-ZCFIWIBFSA-N 609.222 7.950 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924593712 HHWLWDOTSSOAQY-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3cscc3s2)c1Br 1924609331 WBOUFNWXDUEQJR-MRVPVSSYSA-N 551.970 7.796 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)cs1 1981402381 VYDREONNOPFWNL-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE ClC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995049192 XXFAJYHIUZLHRZ-SECBINFHSA-N 561.131 6.944 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)co1 2085495410 KIYMSEPBIQINEP-GFCCVEGCSA-N 522.256 6.966 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2ncccc2s1 2108676641 AGEGKVHTNKFNHW-VIFPVBQESA-N 502.478 7.021 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Br)nn(C)c2C)c1Br 2138849230 CZKNSYHIYFPSBR-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE FC(F)(F)[C@H]1OC2([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2193097482 XERGCPKRYOTEPY-FHQKJZPWSA-N 519.402 6.425 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(C)nn(C)c2Br)c1Br 2201073832 ONUDOPSJRMZILD-ZDUSSCGKSA-N 529.896 6.117 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206396442 WUMGBSACZGJTTQ-NSHDSACASA-N 676.060 8.637 50 10 KKGE CCc1nc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2206398461 VHLWYWKDHKMYGN-JTQLQIEISA-N 676.686 8.002 50 10 KKGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCBr 2207273052 RAWAUJZWYUSWMG-IINYFYTJSA-N 515.027 5.079 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2218597307 LMMMCUHIZDKGOZ-SNVBAGLBSA-N 586.738 7.422 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278098568 ADICDZOXEWMPJO-CYBMUJFWSA-N 532.035 6.953 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1scc(Br)c1Br 2285059330 VWHYNSPXGZSXQF-CYBMUJFWSA-N 503.481 6.989 50 10 KKGE CS(=O)(=O)C1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2285272760 ZETYSTRVDZGFTO-REFSAOSRSA-N 574.354 5.840 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198375 BUPJSHNQONTXLZ-GOSISDBHSA-N 536.245 5.201 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2295163795 YNOHDXZDTCZDKZ-UHFFFAOYSA-N 568.092 8.170 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296507008 PDZPBACEAPVEKE-AREMUKBSSA-N 554.469 6.667 50 10 KKGE F[C@H]1C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2307344711 OHHWRCHFKJPJMZ-PJPYAQQDSA-N 558.703 6.921 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(F)cc1 2313570683 CYOMHVNCNYZYHI-UHFFFAOYSA-N 511.380 6.994 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571467 XBNQVNDWPBIZEV-UHFFFAOYSA-N 567.185 6.862 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2313730259 KTXHEIZRWNUOHW-UHFFFAOYSA-N 514.379 5.404 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCCCc1cc(Cl)cc(Cl)c1 2318688491 SROOFGCIKQSNLS-GOSISDBHSA-N 502.220 5.661 50 10 KKGE O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)N1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1 2325739799 YPECLOJPAVGDIZ-FODVVNLPSA-N 636.790 7.145 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331410973 YPFYXTXOXYAOAR-OAQYLSRUSA-N 507.999 5.976 50 10 KKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362221655 DJZYMQANNSFMJL-NSHDSACASA-N 509.797 7.281 50 10 KKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@H]1C(F)(F)F 2362228534 OBSILMXJKGGJMI-PFZYVWIYSA-N 503.353 7.029 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)c(C)c3)c2C(=O)OCC)cc1 33346619 SLTVHRBAHGMPHI-XQNSMLJCSA-N 502.636 6.933 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38684305 YESVQLZQNJBACH-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1Cl 38701141 YHDWILDTCQYFQK-HHHXNRCGSA-N 518.997 6.211 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)ccc1Cl 40812951 AEVPQDKEWNKYRZ-ZXVVBBHZSA-N 515.791 6.002 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc([N+](=O)[O-])c5)c(C)c43)coc2c1 40826976 DSJKJBGVIAVQJI-MWAVMZGNSA-N 514.538 5.511 50 10 KKGE COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1COc1ccc(NC(C)=O)cc1 59120142 XAJLBMHRCMPTOB-UZWMFBFFSA-N 507.590 5.515 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccco4)c3C)sc3c2CCCC3)cc1 59679653 IBXPZTYLRBNVJT-MUFRIFMGSA-N 500.624 5.952 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914941 GALNOPADIZCFFB-HHHXNRCGSA-N 501.067 5.284 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(C#N)/C(O)=N/c2ccccc2Cl)cc1C 97968740 KEBFYLHKGYTIAY-LRRHNFBNSA-N 556.902 7.978 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1 100161136 FQTDGRAQIWUQQO-UHFFFAOYSA-N 541.442 5.044 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C(C)(C)C)c1 100200955 XJAANBHRIDFFDO-UHFFFAOYSA-N 620.382 6.565 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 100236153 MDTLEVSRWSECLS-DVMDLWDRSA-N 599.478 5.488 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100236912 IPSDUOGRDCGRPC-UKRRQHHQSA-N 542.268 5.027 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 100327101 NQOGLUPBLMTHBJ-HSMHNTNPSA-N 531.834 5.654 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 100451997 DQIRLEZJZHJKKZ-KGLTWBCMSA-N 571.269 5.626 50 10 KKGE CCCSc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)cc2)cc1 100920367 GJEJJXBHZPBDIV-SZXQPVLSSA-N 595.728 7.921 50 10 KKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)sc2c1CCCC2 100935452 PECAHKHILKELIT-ORYQWCPZSA-N 612.222 6.428 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101361958 VQZFGRPFQAAIFO-VWLOTQADSA-N 539.415 6.618 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1Cl 101366165 UWUIRWFXUPGOKF-SANMLTNESA-N 531.395 6.983 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101374043 UHXYDCYUXLFCDM-PMERELPUSA-N 577.077 6.737 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 101374645 WWPPVJUPKBWGQM-JGCGQSQUSA-N 570.686 7.126 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCCC(C)C 101375232 KUNIJYDREUVFMA-NDEPHWFRSA-N 578.021 6.509 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376426 OMANYHPYRRGTJT-UGDMGKLASA-N 540.660 6.970 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381056 VNOWQLFLPXFFFR-NDEPHWFRSA-N 571.948 6.404 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386260 CCBNYUMXGDOCQA-JGCGQSQUSA-N 597.067 7.152 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388043 GGVLCZVWWYOPBY-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101388177 FBKDULDWQSOGKI-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(F)cc1 101389262 HKZYTLNRNSOLOX-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 101392984 HEPJUIIGDWCNMH-PMERELPUSA-N 569.013 6.374 50 10 KKGE Cc1ccc(-n2c([C@@H](C)N(CCc3ccccc3)C(=O)[C@H](Cl)c3ccccc3)nc3ccccc3c2=O)cc1C 101983824 FDKFVQDYORMQQZ-OOWIMERYSA-N 550.102 7.115 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 102347396 LZLPLEVXSZDVRR-JCMHNJIXSA-N 535.600 6.889 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OCC)cc2)o1 102406891 YTGGDKPURAQLRO-GNVQSUKOSA-N 535.725 9.055 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103738492 JJBUEJLSHHDTCK-PJJLUWSFSA-N 526.061 6.230 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C\c1ccccc1OCc1ccccc1Cl)c1cccc(Br)c1 105451266 XXVKZGUUFQDVFQ-LJUMEUDFSA-N 562.851 6.698 50 10 KKGE Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1Cl 150384278 IBIALBOUHGLZJF-GEBSCWSCSA-N 628.581 8.196 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 150411136 XVGWTYSVFXKGIV-ARBWBAARSA-N 714.775 6.183 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)oc2cc(Br)ccc12 150482037 BVQDIPINJMQIOB-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497396 WYGQSSPMMCSNBR-FMFFXOCNSA-N 659.573 8.260 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 164645134 XDJGGPSJJJXWGJ-CHSHITCJSA-N 632.975 9.155 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 205665869 CEJBCNNKVBDGJY-JZZBMIQRSA-N 570.689 7.709 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCCC(C)C)c(OC)c1 206954671 ULANDCKKWLVSMR-CHUMBBMLSA-N 558.631 5.954 50 10 KKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207154348 VPCMAINMCYVOKS-ONOOTYCVSA-N 520.626 5.571 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214334762 QSNWBXHWEBVSQF-AWXAQXEGSA-N 546.602 6.431 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 214391956 XYOKIILLYKBZHU-YUMHPJSZSA-N 545.555 5.249 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccc(Cl)cc1Cl 252643565 ZWFJIWOKGMKLEV-UHFFFAOYSA-N 534.428 6.749 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C\[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)COc1cccc(C(F)(F)F)c1 256009277 WOAZYHLGNODOFU-DKWMVGIJSA-N 666.809 8.875 50 10 KKGE CCOC(=O)n1nc(NC(=O)c2cccc(O[C@H](Cl)N3Cc4c(NC(=O)c5ccccn5)nn(C(=O)OCC)c4C3(C)C)n2)c2c1C(C)(C)N(C(=O)Cl)C2 299803916 KRGPMBJZELIWHN-SSEXGKCCSA-N 783.630 5.445 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C[C@@H](Cl)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 616582191 MKZGQDFQXQLWNU-OYHWVTJXSA-N 564.998 7.017 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1 725421456 FFTSOWZVIJAQBN-UHFFFAOYSA-N 581.163 6.123 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 1083846941 KXHRRKPNWJPSMP-UHFFFAOYSA-N 516.601 6.322 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4ccccc4Cl)c3C)sc3c2CCCC3)cc1 1084005462 CEIXBOZBYRPJRJ-UHFFFAOYSA-N 575.134 6.778 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 1084028501 LHWVGUHEDPTEMA-UHFFFAOYSA-N 575.690 6.947 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084069224 FFEASNSHAMSMHG-YBFXNURJSA-N 725.151 8.480 50 10 KKGE Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)c([N+](=O)[O-])c1 1084283356 HKPQMUZOBGEJMO-UHFFFAOYSA-N 539.386 5.114 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294746 XDBLYTWRNMYVCA-SNZCQGFOSA-N 544.937 8.836 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1 1084412790 ZFUSAZRXXQGHSM-ZDLGFXPLSA-N 501.797 7.170 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1 1084416094 UKUACANFQAYBRO-UHFFFAOYSA-N 526.330 5.389 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084506868 VZLOXOLRIQNVNL-MKMNVTDBSA-N 743.981 8.634 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4ccccc4I)c3C)sc3c2CCCC3)cc1 1084575227 NRBSOMQMNYDDHT-UHFFFAOYSA-N 666.585 6.729 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)O 1084578835 BYXODRHHLXTAGD-UHFFFAOYSA-N 531.996 5.732 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc2ccccc12 1084605767 HKYLYOKYOHSCHU-UHFFFAOYSA-N 605.738 8.686 50 10 KKGE COc1ccc2c(c1)CC[C@@H]1[C@@H]2[C@H](C)C[C@]2(C)[C@@H]1CC[C@]2(OC(C)=O)C(=O)C(Br)Br 1614719108 CQPHZFNOXSLULF-CVPGLFHMSA-N 542.308 5.784 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665548 YAHXNVGUCZQYAB-AENLZBLWSA-N 535.651 9.113 50 10 KKGE N#CSc1ccc(NC(=O)CCNCc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 1860712166 JIBAIRVARORMOP-UHFFFAOYSA-N 505.043 6.065 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688093 JCRWKQOWFFLZSH-SFHVURJKSA-N 549.347 5.344 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Br)c1O 1865689078 JIZFDTBCRJXQDR-NRFANRHFSA-N 515.367 5.234 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3cccc(F)c3)cc2)cc1 1865694503 YOWMACXZXIBQSI-PMERELPUSA-N 542.614 6.843 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865695351 NVGHCTUZTMNQDZ-MHZLTWQESA-N 512.997 5.948 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1OC(C)C 1865697419 RXKNBNYQNMUWMD-SANMLTNESA-N 527.024 6.266 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Br)c(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697984 HKSHAZKDLCPGOI-HSZRJFAPSA-N 567.484 5.991 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700729 CBKBOBSZPDSVNU-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707191 QGFCBFNALJKAOJ-XMMPIXPASA-N 559.420 5.546 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711927 LOOAVQMMZPXJNW-QFIPXVFZSA-N 542.379 5.088 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711979 MWSUYGBADJNERY-QHCPKHFHSA-N 572.375 5.199 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866677690 PSJQQARFIFILRL-SANMLTNESA-N 544.608 5.280 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866977014 KHRFHNWIKAKYSR-RPBOFIJWSA-N 536.495 6.128 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014651 YUOSLIOXWYKTSL-VMPREFPWSA-N 559.757 6.599 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)C2 1868231910 WJOLWEYQUCQOEH-UHFFFAOYSA-N 529.710 7.156 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751280 ZUOHPOFJMAWHKD-GEKIGNFYSA-N 501.564 5.085 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)sc1Br 1922928638 BBUISKKEHRCRRC-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923054736 JLHBRFBZADDDRN-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(I)sn1 2023701709 XWBAFPYPCAEJOB-LLVKDONJSA-N 507.416 5.956 50 10 KKGE N#CC(=C(S)NC(=O)c1ccc(Cl)cc1Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2054784962 PEPXKPHDBJDEQP-UHFFFAOYSA-O 534.428 6.340 50 10 KKGE CCC12COC([C@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2084483623 KBSUUTDZXZPUCH-HUUUCTMMSA-N 523.910 6.431 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2085494517 DAQYRGGIQHCEJX-LBPRGKRZSA-N 538.324 7.435 50 10 KKGE CC(C)(F)[C@@](C)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471789 WBXUWVXVMMFWTA-JQWIXIFHSA-N 548.285 7.493 50 10 KKGE CCOC1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472955 JQTWSTLPQMCYIY-UAAUVXIDSA-N 584.766 6.988 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2160066943 NUKVGUFRQSZPML-LJQANCHMSA-N 559.335 7.223 50 10 KKGE Brc1cc([C@@H](Br)Cc2ccc3c(c2)CCO3)ccc1I 2168660200 LIRDIRADIJFASI-ZDUSSCGKSA-N 507.991 5.667 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Cl)c2sc(Br)cc2Br)c1 2172409103 TTZMEDHJZZHXQL-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c(F)c1Cl 2201608128 KXTKQXUBOBXNDM-NSHDSACASA-N 554.248 7.390 50 10 KKGE FC(F)(C1CCCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399908 MZACNDIUWRWBMY-GFCCVEGCSA-N 604.747 7.998 50 10 KKGE Clc1cccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222449750 QPGZCJJDVINZSR-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1 2232077553 RZHWBCVXYNUGDR-NSHDSACASA-N 533.905 6.837 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(F)c(Br)cc1Cl 2282907741 RYRSRXOYBMVUJD-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283575153 UCFCQRGQQFCPRN-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 2294217701 CDCRFARFBCBXDS-UHFFFAOYSA-N 596.062 5.383 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 2313567160 HPGVZRJPPVSVAR-UHFFFAOYSA-N 545.602 5.281 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 2313567771 OJRNESMPOBKYBV-UHFFFAOYSA-N 534.635 6.068 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NC1CCCCC1 2314478716 SHHDQHZVGLGWFG-UHFFFAOYSA-N 537.063 7.128 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c1 2314531515 BTKPYNJANUWGLB-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(CC)cc3)C2=O)cc1 2314592596 YILCBDWZPUIJIG-LJAQVGFWSA-N 523.702 6.965 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314616520 CNSCPTQPIOIJLL-UHFFFAOYSA-N 608.673 7.358 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 2314617870 CESNGCQBMCNQMI-UHFFFAOYSA-N 522.605 5.041 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618877 VXWOROZPCHLIJZ-AREMUKBSSA-N 534.616 5.184 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 2314646841 QWXQRYMIEBOFDQ-MHZLTWQESA-N 683.186 5.907 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1OC 2314730734 MNOHKYLQVDBXPF-UHFFFAOYSA-N 511.047 6.296 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C=C(c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329622679 ZSOGSRVERJQGAW-PMERELPUSA-N 553.684 5.962 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1C(C)C 2331356086 LSFZGEJUWYZAAU-UHFFFAOYSA-N 504.612 6.709 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 2331378622 IRYDDEFIEYMEBY-UHFFFAOYSA-N 519.450 7.403 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046703 GLOKGMGOXIERFK-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE Fc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336074747 JMGXZWCNNKPODJ-LJQANCHMSA-N 502.580 7.444 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2338757791 MQJXIISHJOCZNB-KYQLBWAOSA-N 500.012 5.775 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cnn(C)c1I 2339651456 POOSNBHYQWUMRP-SECBINFHSA-N 566.832 5.482 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339683445 DASOANGECNFBPH-NSHDSACASA-N 535.896 7.276 50 10 KKGE C[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CCBr 2349846978 FSUQHVDQRLEXBU-ABAIWWIYSA-N 501.044 5.439 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1 2365175461 HHUVWOAMNFCHBP-CQSZACIVSA-N 532.416 6.900 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2c(C)nsc2Br)c1Br 2365191881 SAQVISRBWYMYSZ-JTQLQIEISA-N 548.920 6.540 50 10 KKGE Clc1ccc([C@@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377596587 YEZOWTQYWCZSIP-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 1790517 VAHIQGXNWQZIRI-VECHRTTRSA-N 556.902 6.432 50 10 KKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCc1ccccc1 6906529 XIXSMCJVHMKJIF-NDENLUEZSA-N 526.394 5.740 50 10 KKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 10683704 DHSFQBIPPWJFIN-UTKZUKDTSA-N 505.453 5.470 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14768848 QXUFUGHUJXSTDR-XMMPIXPASA-N 525.443 5.623 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 33385768 ZJZFPMBZICCBNI-NCELDCMTSA-N 510.622 7.792 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 38660195 FVIDECZCBYWAFX-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 38684865 MMAODJUASGPDHI-RUZDIDTESA-N 511.361 5.595 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl 58892212 CQWOAAUZKDPILF-LLLIGWKVSA-N 507.030 6.010 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 59332946 YFWYWHKDVSITQZ-CJLVFECKSA-N 520.402 5.423 50 10 KKGE CCCCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)cc2)cc1Cl 100920357 BOTTWQSKWJZIBT-SZXQPVLSSA-N 628.132 8.251 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 100988925 QNYHEVXFZJVQIM-JFLMPSFJSA-N 540.856 5.391 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244516 LMSIRVBOPZXBCJ-KVILUOORSA-N 536.484 7.182 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244679 NHTIODNRPKRCDB-VOEFLUBFSA-N 511.647 6.274 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 101340257 HHHLIMKYJCWBPR-NJZRLIGZSA-N 572.665 6.172 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368305 LNCYIBJQPVPNFU-UJKKLPCDSA-N 540.616 5.966 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101368884 CTHSBUYXICDWQY-AFSLHWDRSA-N 533.378 5.303 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 101371126 BSVSBPQHYUEUMH-JOCHJYFZSA-N 519.743 5.988 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101378776 HOLJLWOQAMGRME-PMERELPUSA-N 601.486 7.717 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101381036 RPEAVEGZHZCSDI-WJOKGBTCSA-N 536.559 5.780 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383491 GYZWSHFETUTENY-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101395245 DYAJVNWEKSHXSV-PMERELPUSA-N 552.627 6.983 50 10 KKGE CCCCCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 101651629 IFILVAPYZWIVGI-UXHICEINSA-N 511.254 6.262 50 10 KKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1C(=O)O 102137319 UTTYGNPJUHWYHQ-STZFKDTASA-N 527.374 6.425 50 10 KKGE CCCCCCCCCCCCCCCCO[C@@H](CCl)CO[P@@](=O)(O)OCC[N+](C)(C)C 111446904 UWCMOAPWKNTQRP-DEOSSOPVSA-O 501.109 6.932 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 128868190 SYVBZDUAVBPFKJ-LBPRGKRZSA-N 533.905 6.919 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)cc1 150427081 MTDRINPPXYDQFN-APTYXWLQSA-N 634.365 6.552 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485859 YGAJSSVKTSJCCA-OGPYBGEISA-N 645.539 7.734 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682111 MYCARRQNTBVVPF-QLRIEFGFSA-N 521.295 9.920 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccc(C)c1 198740233 MVAKTSMDUIBNBD-JWHWKPFMSA-N 543.756 7.115 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 205667776 DSHICXMAVXRVOU-SCQRWLDGSA-N 544.607 6.420 50 10 KKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 217241003 GQLJLILVJTYBPP-UZYVYHOESA-N 510.619 6.687 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1I 236227972 HXGBSQUOEDQWGQ-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)sc1Br 300478303 ZLAOUOWNYNWIHG-NSHDSACASA-N 506.428 6.514 50 10 KKGE Br[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc(I)cc2c1OCC2 311751590 TZMPGYQROKWEKF-NRFANRHFSA-N 521.192 6.289 50 10 KKGE COc1ccc(CO[C@H]2[C@@H](OC)O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@@H]2OCc2ccccc2)cc1 575449022 GTDUTIKSKCRUOQ-JALLVGJNSA-N 642.865 5.475 50 10 KKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)c1 725392781 DYGOJMUZTSLGJL-UHFFFAOYSA-N 512.517 6.474 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1cccc(Br)c1 725398474 XQBIDVXVLVXTEN-UHFFFAOYSA-N 541.493 6.179 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 725434781 JMCDKZAWXFLEBL-UHFFFAOYSA-N 623.573 5.249 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 1083818479 XORYGFNCJVGENP-AVHVYJLVSA-N 795.014 9.608 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccncc1 1083897966 FEPQUYCDGNQFNY-UHFFFAOYSA-N 530.613 5.914 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1084214666 GFLJKGYEZFJBFU-UHFFFAOYSA-N 563.279 6.594 50 10 KKGE CCCOc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1OCC 1084251822 PFZWXNYDPVDWRK-UHFFFAOYSA-N 531.188 5.005 50 10 KKGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1084398057 JCGRZDBYPYBRFF-UHFFFAOYSA-N 530.628 6.631 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1084520662 NEYOJMDIAMQVEC-UHFFFAOYSA-N 532.493 6.027 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084575178 PTNSOHWYNDEYCM-UHFFFAOYSA-N 546.668 5.504 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1 1084628930 ULGQFOKAYXYTTB-UHFFFAOYSA-N 599.496 5.375 50 10 KKGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 1088689560 PTNXNKAXHGEIAS-HXUWFJFHSA-N 502.880 5.119 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 1614653245 WNSSQTBHHKVSJA-IPPBYKSDSA-N 523.702 6.731 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746741 GDNZXGRVMUAKID-UHFFFAOYSA-N 505.618 7.101 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 1772760306 AOEJMAGVFJRSKX-GDLZYMKVSA-N 530.657 6.161 50 10 KKGE CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 1775953834 BIYYEQKEADNAJH-XBQVACHMSA-N 720.222 11.325 50 10 KKGE in-vitro COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685775 MSVFBIUDMULSFK-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCCc1ccccc1 1865687824 BAXGQJUQYGNHGO-PMERELPUSA-N 520.633 5.705 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865688780 ANEYLEVXFLBTLE-MUUNZHRXSA-N 527.024 6.338 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689165 LJCWTUZHFXZCFR-MHZLTWQESA-N 561.469 6.856 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689400 RIZYDCMXMZXBGY-IBGZPJMESA-N 539.341 6.034 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865691250 NTQYOSHZAKCZNP-FQEVSTJZSA-N 518.923 5.950 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865692563 NDCFWVURYORYFW-SANMLTNESA-N 559.464 6.502 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OC 1865695603 QKQNGJSFFJIGCO-SANMLTNESA-N 539.051 6.472 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705141 NHQKQFGLCJUACN-VWLOTQADSA-N 510.981 5.585 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705473 WQIVMIRKWIZSBG-SANMLTNESA-N 527.024 6.266 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706482 XRHDZHTVXHXIGK-INIZCTEOSA-N 510.259 5.383 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707075 NAZCSBXIBIGUAK-LJAQVGFWSA-N 519.649 6.078 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708353 UVRFMMSXGXKVMA-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1OC 1868413636 CTPAXRDOZXLCIK-BWKNWUBXSA-N 574.106 6.833 50 10 KKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872744755 GXRVGUKKEVSUFU-UEBMVEOSSA-N 512.418 6.620 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c(C)c1C 1872753554 CPFIBTIUSJPGJX-PNHLSOANSA-N 521.598 6.182 50 10 KKGE COc1cccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1c(F)cccc1Cl 1873795411 IAZUABFITIMWHJ-DSLAYPBOSA-N 507.990 5.066 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940895 MESKVWSCYGFIBO-YBGOGFIWSA-N 512.634 8.562 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2Br)c1Br 1922888400 QEUHBEPEYKFLEV-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925585880 SCMGFRSXGCGPND-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)sc1Cl 2000997983 JZFRFFIGLPYCLV-LURJTMIESA-N 544.353 7.543 50 10 KKGE N#CC(=CNc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Br)cc1 2041576583 GIYRYYUJDIBNIX-UHFFFAOYSA-N 523.330 6.511 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2080746067 ZPKWNQHLTCPFJE-JJXMVLQZSA-N 663.940 7.851 50 10 KKGE CC1(C)CO[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141470405 GVARVJJCXCKSML-PELKAZGASA-N 540.315 6.832 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2nn(C)c(Br)c2C)c1Br 2201076701 HPOHPBYSYYPTOK-GFCCVEGCSA-N 529.896 6.117 50 10 KKGE CC1(C)OCCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394537 HTCKKAMYMXCUTR-WPPNPWJKSA-N 554.342 7.222 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206396434 WQQRLGJRSVACDQ-FBFBHZLOSA-N 602.731 7.464 50 10 KKGE FC(F)(F)C1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396470 XKRYWBFHPPCGMB-ZROIKLNDSA-N 564.259 7.605 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2206398517 WAADQOJGIXAFIJ-HDFMHMMKSA-N 594.805 7.999 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399495 IKXJGHVVTJVQQJ-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1I 2225618070 XEXKNXVZJHIDCP-CYBMUJFWSA-N 562.840 6.748 50 10 KKGE C[C@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)c(Br)cc21 2225687995 SLYGNTZBBFJJGU-UONOGXRCSA-N 500.662 6.714 50 10 KKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277966056 PNWKOMWLPKHYTB-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 2295459705 PGJWOXHXVQGJJM-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE CC(C=NNC(=O)CCC(=O)Nc1ccc(I)cc1)=Cc1ccc(C(C)C)cc1 2297271798 QJPJKSZFHKCNHH-UHFFFAOYSA-N 503.384 5.339 50 10 KKGE O=[N+]([O-])c1ccc(-c2cc(C=Cc3ccc(N(CCCl)CCCl)cc3)c3c(ccc4ccccc43)n2)cc1 2297451063 RFLMLFOKGVKVGK-UHFFFAOYSA-N 542.466 8.418 50 10 KKGE Cn1ncc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1I 2299500818 JAIVKMYLFVVKPF-QGZVFWFLSA-N 517.592 5.694 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567947 QEQYGBHCTNLBAI-UHFFFAOYSA-N 707.204 6.651 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2c(Br)cccc2Br)c1 2314455518 PIFFZZUOBVUVSM-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592361 RSCZRZGRFOSUNS-NDEPHWFRSA-N 525.674 6.411 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592950 DXSDJKWBKYBJEY-DWXRJYCRSA-N 566.510 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314616655 GLEKUPJMVMJVPJ-UHFFFAOYSA-N 570.693 6.983 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314619003 XZHRLYRFENNMOF-UHFFFAOYSA-N 627.767 5.121 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314619044 YYRXBMNGDJXMLI-JOCHJYFZSA-N 542.595 5.664 50 10 KKGE Clc1ccc([C@H](Br)Cc2ncccc2Br)c(I)c1 2317764616 YPORLVUJRWZSRR-LLVKDONJSA-N 501.387 5.781 50 10 KKGE Cc1ccc(C(=CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329587277 QCXHNMXQEKDFQO-NDEPHWFRSA-N 513.638 6.175 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331318392 GVROUANYFYNMGX-GOSISDBHSA-N 503.580 5.231 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1c(Cl)cccc1Cl 2331434644 IIJYYLXQNVLQGC-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE CC(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349777845 FQUWFIGWHWABSF-MGPQQGTHSA-N 500.056 6.432 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1Cl 2365186714 TUACQLXTYTVVGK-LLVKDONJSA-N 550.285 7.559 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 34896282 HLAMYPODVHXWJG-NKUOZVKISA-N 515.532 5.333 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38660246 CQJMSZFKBUJYHU-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 38684084 ZKQAWFPBNMMXAP-PMERELPUSA-N 528.605 5.639 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38688590 NZCKENCHZDRMSG-MHZLTWQESA-N 506.558 6.360 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1Cl 38700705 VGOVOGGSCMSCDY-QFIPXVFZSA-N 513.402 6.161 50 10 KKGE COc1ccccc1C(=O)NNC(=O)CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12 39867471 YDPABYMYOKROSO-UHFFFAOYSA-N 512.997 5.829 50 10 KKGE N#C/C(=C/c1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1nc2ccccc2[nH]1 50568396 NNVYGSUPLOZHED-LGMDPLHJSA-N 501.468 6.119 50 10 KKGE CCCC[C@@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O)c2)[C@H](CCCC)CCC[C@@H](Cl)C[C@H](OC)c2cc(O)c1c(O)c2 86049593 FYBKUFIZQMYJHP-QZNRDKSSSA-N 653.728 10.481 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100180982 KRBHXWKHQKOGQX-UHFFFAOYSA-N 532.262 5.801 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 100232695 IQYQCWQIHZLVKS-YBFXNURJSA-N 522.355 5.881 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 100235764 NTOKWDNEWVWXIT-DXTDMJPYSA-N 624.359 7.096 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc2ccccc12 100236350 QOYYPAUMCRKKOL-WZJRFBARSA-N 601.541 7.272 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335737 WCDLHYRIZUISQT-YBFXNURJSA-N 569.355 5.641 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@H](C)C2 101193789 AQDRBYRPTOTMHX-AYYGCFCKSA-N 562.997 7.527 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244929 NMPBDMBXCUULFZ-KVILUOORSA-N 502.039 6.276 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccc(OCC)cc3)C2=O)cc1 101245179 IMHQRLGIDPMYEA-JVXXBHLZSA-N 539.701 6.801 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246661 RFIXNXFHGVIJTG-HEQFHQOESA-N 554.455 6.076 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101333616 HAPIJCIQOOKLQS-XBQJKBNESA-N 620.753 8.444 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101368358 LJQFJIYJIMQWAS-SLQAJWMNSA-N 546.595 5.850 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101374155 AGKUFIMXXJKHLV-MHZLTWQESA-N 563.994 6.263 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCC(C)C 101374304 YLVWSPXGPDJABU-KWMCUTETSA-N 532.568 5.460 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383804 AVPVZRGDJFLKAY-JGCGQSQUSA-N 564.613 6.877 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385376 XEKZFBJHVVUFEO-UMSFTDKQSA-N 590.676 7.055 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1Cl 101385745 ITOXMXGENLJHMK-YTTGMZPUSA-N 597.067 6.747 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101390747 IDJWZUBCKWHKBR-SANMLTNESA-N 553.442 7.008 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 101399605 BLBRASKHFVCPKB-HKBQPEDESA-N 623.130 8.278 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1OC 101603255 QYNGYGMSBJRYAI-AJBULDERSA-N 544.435 5.355 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101612056 AGSSSRYJGNAZJM-WEMUVCOSSA-N 558.462 6.562 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 103649521 WGZIOFZLWDWPMM-MOSHPQCFSA-N 548.030 7.911 50 10 KKGE O=C(Cn1cnc2ccccc21)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 105020591 BUZWJRRMFMQNFL-MXNGAVTRSA-N 538.405 5.019 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 150429401 OTLPZKOZWMORRZ-PCYMAAINSA-N 763.208 6.600 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 150434078 AGYBZJBVRWSDIY-UHFFFAOYSA-N 655.952 6.039 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl 150487344 MRZVCAZYZAKHTM-FRKPEAEDSA-N 624.218 6.639 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497477 FYJMAOOOPYBFBD-XPGZBYHPSA-N 640.743 8.106 50 10 KKGE O=C1OC(=O)c2cc(Oc3cccc(N4C(=O)c5c(Br)c(Br)c(Br)c(Br)c5C4=O)c3)ccc21 163969689 ZQDCAVVNPPQIGD-UHFFFAOYSA-N 700.915 6.640 50 10 KKGE O=c1nc(-c2ccccc2)[nH]c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 195802745 AQCFLMYXTDSACL-UHFFFAOYSA-O 708.762 7.866 50 10 KKGE CC1(C)C(/C=C/C=C2/N(CCCCCC(=O)NCCSS(C)(=O)=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCCC(=O)NCCSS(C)(=O)=O)c2ccc(S(=O)(=O)O)cc21 195811305 TVWBUUPOBBFBCA-UHFFFAOYSA-O 992.341 5.533 50 10 KKGE in-vitro CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214217902 CQBNJBGNFUVDGN-CEUNXORHSA-N 542.639 6.429 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214340412 MRRBPBDQESKXKP-YUWZJHQXSA-N 640.743 8.625 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214345758 UVVBDJWCBXDUIX-JDCMOKTRSA-N 570.693 6.799 50 10 KKGE COc1ccc(OC)c(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)c3ccccc3n2)c1 254834164 YWDRLTSZRNWEDS-UHFFFAOYSA-N 636.524 6.844 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308410363 DBORYWJHCAAFFD-OAHLLOKOSA-N 528.409 6.126 50 10 KKGE C[C@@H]([C@H]1[C@@H]2O[C@@H](c3ccccc32)[C@@H]1[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 642814352 WZUPOOLRYPZHOC-NUAWXAMKSA-N 570.653 8.088 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(C)c1Br 719535646 LNCKTSXLTMYVCH-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE O=C(Nc1cccc(CCBr)c1)c1ccc(I)c(Br)c1 721601942 JGFXSWFNDYMKBV-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084041429 LEBAYASCPXRTDO-UHFFFAOYSA-N 561.088 6.167 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1 1084060447 GKQONUSNORXJQY-UHFFFAOYSA-N 535.647 7.949 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1 1084091298 LHHOLJKRUKRPLE-UHFFFAOYSA-N 558.704 5.061 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084254107 KCMDIKKXVMTPNM-QFIPXVFZSA-N 591.256 5.663 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 1084344661 GBXGQOYICJXGPO-UHFFFAOYSA-N 519.848 5.933 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084369114 MGDKGYOQWRFREE-LJAQVGFWSA-N 526.633 6.180 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2OCc2ccccc2)cc1 1084459149 WKPHQJZZCCYRNA-UHFFFAOYSA-N 532.232 5.953 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1C#N 1084541730 FSVSGGRWFYBBJB-UHFFFAOYSA-N 544.405 6.147 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1Cc2cc(Cl)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615886553 ZXUXBMVCZNYBDW-GSIDYZJGSA-N 634.911 7.115 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744461 XVPIRGOYZGFELH-UHFFFAOYSA-N 517.379 6.193 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865694478 WCVLNPLGUQGJHA-SFHVURJKSA-N 509.315 6.205 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865696540 OVYJMFIJHKWMFG-GDLZYMKVSA-N 569.105 7.438 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc2c(c1)OCCO2 1865698579 XXVMOHHYPOPCBJ-QHCPKHFHSA-N 527.378 5.291 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704088 MWTVYXKESDRQOO-RUZDIDTESA-N 561.867 6.648 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705454 WEGZALMHMACQHM-MUUNZHRXSA-N 520.633 5.998 50 10 KKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 1865712491 ZZUYUKLMFGQENA-XIFFEERXSA-N 554.650 6.865 50 10 KKGE CC[C@@](C)(NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134218 LVRRVWKYIYMCNS-SHQCIBLASA-N 536.495 6.468 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 1868527674 FSYRZUPMABWCKM-MHZLTWQESA-N 550.688 6.144 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3C(C)C)n2)cc1 1868528335 QRBCEQXIPMTNMO-SSEXGKCCSA-N 521.690 7.619 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872749073 AHFDGLIKSQOZSI-FONVWEJASA-N 512.418 6.620 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 1873499173 IGAPUWJWHABESL-BLLKKSLCSA-N 516.038 5.415 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)ccc2Br)c1Br 1922897844 QDYLWLDKPBWFPY-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Cl)ccc2I)c1Br 1922945348 FMKQQSKJBQLIKD-JTQLQIEISA-N 540.873 7.168 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1923060340 BIXBGZVYNUOYQT-BTQIBKBOSA-N 505.541 7.969 50 10 KKGE Cl[C@@H](c1ccc(Br)s1)c1c(Br)sc(Br)c1Br 1924579219 BSLQAVYMJVDZMO-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Cc1ccc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1925500396 MKMSLFFDFXVDJI-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(I)cc1 1925570659 JDPUNZZPWCDDQC-MRVPVSSYSA-N 526.846 6.906 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1csc(Br)c1Br 1937735133 WEENQPLZJFAMLB-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)sc2Br)c1C 1951014166 FOWRYECHWLUBMF-SECBINFHSA-N 523.935 7.198 50 10 KKGE FC(F)C(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Br 2001804662 FTDIGGUIYOJZEV-UWTATZPHSA-N 527.795 6.762 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CC[C@@H]2C3)c1Br 2025779201 DNTAZSIFHLUBJC-ZSCXHOBISA-N 552.724 6.973 50 10 KKGE COc1cc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2)c(P(c2ccccc2)c2ccccc2)cc1OC 2080761409 HNQZUHLRUSCWHM-RZFQCGOMSA-N 531.658 5.603 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2083332826 KAPNXMWQTFJJJP-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC(F)(F)F)c1Br 2123242871 BRZIYFOOUFTHTA-UHFFFAOYSA-N 515.189 5.406 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468185 HGKCEQKEQDWDNZ-JJXKXHSHSA-N 594.683 7.371 50 10 KKGE C[C@@H]1CCO[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469276 UJEJMMDPDDAXMS-DRTBCBBWSA-N 540.315 6.832 50 10 KKGE CC(C)([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2141472084 ZQHMJXKYCRSOTI-JTQLQIEISA-N 606.794 5.996 50 10 KKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399292 FLPMHIRULSZTLI-LHLIQPBNSA-N 618.805 5.997 50 10 KKGE FC(F)(F)C[C@H](Br)Cc1sc(Br)c(Br)c1Br 2212199424 CFTMMLXEHWNALT-GSVOUGTGSA-N 509.805 6.294 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(F)cc2I)cc1I 2269540918 CEANSLORFCIAMX-AWEZNQCLSA-N 502.492 5.372 50 10 KKGE Cc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1I 2278093537 ZWYZNQGOIBJYBL-CQSZACIVSA-N 528.072 7.123 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1I 2285951598 ZPOXXRCGNDZTOK-CQSZACIVSA-N 534.388 6.339 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl 2294619971 VHLOGBGIBLLCLV-UHFFFAOYSA-N 576.672 6.998 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Br)cc1 2295459644 IWLSUBWJKYNREQ-UHFFFAOYSA-N 534.410 5.931 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(CC)cc3)N(c3ccccc3)C2=O)cc1 2296506906 KRZFPNQAJZXFMC-SANMLTNESA-N 525.630 5.491 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297629157 KNQGQQHLDZEZHY-UHFFFAOYSA-N 523.549 6.406 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 2313738683 OKIPQKTVSCOCRO-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592043 KQGOMWNRFWFQGM-DEOSSOPVSA-N 552.483 6.629 50 10 KKGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314618672 RMFODBVFMCCXDV-UHFFFAOYSA-N 529.420 5.600 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634729 DBAWYMAKLFVVDJ-JGCGQSQUSA-N 554.643 6.500 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)cc1 2314646588 DLLWQLJLJMJCFF-SSEXGKCCSA-N 676.795 5.808 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646914 ULUIBUYKPDGBFV-HHHXNRCGSA-N 636.705 5.384 50 10 KKGE Clc1cccc(CBr)c1Oc1cc(Br)cc(I)c1 2316757575 LWFJNPFRZMDBAE-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)c1nc(-c2ccccc2)cs1 2331301123 YXNQBWHZXDSDJE-UHFFFAOYSA-N 507.527 5.285 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331346794 LOXUBYGCEGKYRL-UHFFFAOYSA-N 516.582 6.080 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364705 XMIHICIJBQXXLD-LJQANCHMSA-N 501.608 5.676 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 2333227921 NXUDOCUNEVFUGK-CRIYGSGKSA-N 618.822 7.805 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 2333257268 QAGNTHOJEGTRBR-XFNJWAOJSA-N 526.922 9.641 50 10 KKGE ClCc1cnc(OCc2ccc(I)c(Br)c2)c(Br)c1 2350076978 NCSPHXSEKDMLOT-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1Cl 2365188360 KNKINKCXAFLASI-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)ccc1Br 2365188461 LNBOEWHAAGJBSL-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2sc(C)cc2Br)c1Br 2365219598 RHFJFVRBXWTIDL-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 2365598815 SDSNHRASTHASKO-SNVBAGLBSA-N 500.805 7.886 50 10 KKGE Brc1cccc([C@H](CI)OCc2c(Br)cccc2Br)c1 2366145135 NUGZTXZGYXVBDP-HNNXBMFYSA-N 574.876 6.667 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 48573896 AAVXECSAJYHPKC-LQKURTRISA-N 509.400 5.738 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(C)c1 58895376 NOPGTKLPLRNGCZ-LXVMRCOFSA-N 530.665 6.064 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 100078197 LTCNCCSXRRLCMW-UHFFFAOYSA-N 591.734 5.103 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100082715 GBZUPXWYQCWZLZ-UHFFFAOYSA-N 623.367 5.276 50 10 KKGE O=C(N/N=C/c1sc(=O)n(Cc2ccc(Br)cc2)c1Cl)C(c1ccccc1)c1ccccc1 100870673 ZEQLKSPHLLTSOL-RWPZCVJISA-N 540.870 5.656 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 101034236 UOKVUORQLCBZAF-NTEUORMPSA-N 549.220 8.046 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101336439 SPCHIHAFKXYARE-MUFRIFMGSA-N 557.654 6.070 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 101338894 HHLVVVAVFXQAOR-ZTKZIYFRSA-N 534.660 6.643 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101339919 DKOWUJMWXLWOGA-AJBULDERSA-N 572.665 6.519 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101370747 OSEJIEHPUDBVLE-KEEVHDRGSA-N 542.632 6.198 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383774 BOOADBBCWFDTIA-MGBGTMOVSA-N 578.640 7.411 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389681 CUOPTFARHDZQPQ-JXNPFXPLSA-N 608.666 6.957 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1Cl 101391043 WVJDWKFRPIPXJE-XMMPIXPASA-N 543.834 7.263 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103725932 QKOOSQDXXUYKKV-IGIMMJHKSA-N 564.689 6.346 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929306 RGIFAPJFRNUSEI-XAZZYMPDSA-N 585.517 6.106 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104988600 AJCPDJDNAJMABL-LBDQGXGISA-N 565.226 5.730 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CC#N)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)CC#N)c2c1O 150363132 LOFQMGMFTVXCFM-ZKRLRCFFSA-N 680.718 5.485 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(N2CCOCC2)c(F)c1 159362216 FHZDDLQCZNTOAZ-RHKOWXKBSA-N 653.151 6.000 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1OC 206694463 PCBMPJBAWHAEQZ-BWAHOGKJSA-N 560.716 7.668 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214340484 MRRBPBDQESKXKP-WDKRIMIGSA-N 640.743 8.625 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 214378888 VEFHOHIMRJTRJK-YUMHPJSZSA-N 529.556 5.548 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C2=O)cc1 214396093 OTXLRTNMMVJWTM-GQIVJYFZSA-N 661.784 5.761 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 232512082 VAPKJLIAAUSCEJ-INIZCTEOSA-N 508.035 6.836 50 10 KKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)c(C)cc1Br 235858898 QFXNQQAPWBESFX-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE O=C(NN=Cc1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1 252635703 WZOGQYSIXAYQFX-UHFFFAOYSA-N 555.465 6.291 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253537571 PRCMMETVWMEYKS-SPIQSQDFSA-N 649.070 6.282 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 254523502 KYWFLHJILJLLOO-UHFFFAOYSA-N 508.574 5.956 50 10 KKGE CC(=NNC(=O)c1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 254743388 DEHVTRQDUNWBCF-UHFFFAOYSA-N 543.532 5.506 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 575627108 MDCOYASBAZJWKP-QXABEEJZSA-N 935.155 9.826 50 10 KKGE in-vitro CC(C)(C)OC(=O)NCCCNC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238092 PQPWQVIQPGEGSR-IBGZPJMESA-N 534.000 5.111 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1)S(=O)(=O)c1ccccc1 725384210 WBMXOVGUCREQDQ-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)C(F)(F)[C@@H]1OC(=O)c1ccccc1 888086039 VNNCNEBZTOPJEV-WHSBFGAESA-N 585.680 5.110 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 1083909213 OBVRWBMYHAIXBA-XMMPIXPASA-N 580.306 6.698 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 1083938292 NRWSOQSUWYWUKS-UHFFFAOYSA-N 557.097 8.181 50 10 KKGE C=CCOc1cccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 1083978438 QJEMKIXWXLDUML-UHFFFAOYSA-N 574.102 6.373 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084038929 NYFMYUZFYBHFIC-UHFFFAOYSA-N 554.293 6.586 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084169133 JLKBTSYDQAWNHE-XMMPIXPASA-N 565.881 6.597 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084237710 JCFZOXBGTYVUOY-UHFFFAOYSA-N 501.007 6.615 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(OCc2cccc3ccccc23)c1 1084312892 LOQVBSMMTWUCPJ-UHFFFAOYSA-N 511.581 6.037 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 1084347042 OUCRHECLYAZAPJ-MOHJPFBDSA-N 579.443 8.572 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1 1084536193 MEQSWHWHOFMEAT-MUUNZHRXSA-N 516.638 5.755 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 1084613949 SHHAUHLZZGTOCI-UHFFFAOYSA-N 769.275 8.925 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 1084656404 YQYIQCMZJYEWEG-UHFFFAOYSA-N 502.530 6.153 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@@H]2CO[C@@H](c3ccc(CO)cc3)O[C@]21C 1088231726 HLUVLXBNVXJZAL-SSZIUWPISA-N 558.791 6.980 50 10 KKGE CC(=O)N(C(=O)N/N=C1\c2ccc(Cl)cc2C[C@H]1NC(=O)c1ccc(F)cc1Cl)c1ccc(OC(F)(F)F)cc1 1614330623 JFVIOLRWLCOGLV-PCZUFMDJSA-N 597.352 5.853 50 10 KKGE CN(c1ccc(Cl)c(NC(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1)S(C)(=O)=O 1615950103 RXGSCXIJACDTTH-UHFFFAOYSA-N 521.854 5.020 50 10 KKGE C/C(C[C@@H]1C[C@@H](CC#N)C1(C)C)=N\NC(=O)CN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 1616178087 KBXRZCKYAOFMGW-GFTNIDEMSA-N 573.698 5.415 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665503 QAKZCDKFOJOVRK-IXCHDFHXSA-N 568.624 8.763 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687900 CTZGROZXEKBAAH-NRFANRHFSA-N 578.294 6.276 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865691158 KYIPJWVSFYEFMK-NRFANRHFSA-N 516.495 5.495 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(OC)c1OC 1865692669 OOBZTYSHEFPWDT-HSZRJFAPSA-N 514.969 5.437 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696173 KORARFBJUPICQD-GOSISDBHSA-N 506.187 5.428 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702598 BWRQJDVKAHUCLX-MUUNZHRXSA-N 508.597 6.129 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703159 OKMDYLGTYJINOR-SSEXGKCCSA-N 524.624 6.953 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705471 WPYUMKAFCTZQAI-SANMLTNESA-N 541.007 5.924 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705562 ZBJGMSWWEKOYLD-AREMUKBSSA-N 508.553 5.460 50 10 KKGE CSCC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866976593 FGVFETBNNTUJEJ-RTWAWAEBSA-N 520.518 5.638 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1 1872749559 XDPNMHYNTQIAOR-BXVZCJGGSA-N 501.611 7.578 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 1872751930 HVJHCQYPAJWZLQ-QFUKSCSASA-N 521.041 8.702 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c(C)c1 1872756912 HHIFQCCWRBECEX-COOPMVRXSA-N 519.626 7.103 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 1872757073 PPYPZAQJWZZRES-XQEBGNCTSA-N 503.849 7.411 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2cccc(OC)c2OCc2cccc(C)c2)n1 1872794288 UAZRAYDOXXOKDZ-LPYMAVHISA-N 517.050 7.741 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872794406 ZPHQPVMEPKNXFB-UDWIEESQSA-N 507.442 8.077 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915289058 PLNZWQVWUWPODI-AWEZNQCLSA-N 524.116 6.335 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924613890 LKMHIRGTPBSSQB-ZCFIWIBFSA-N 535.843 7.204 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@H]21 2051239756 NOQKEDSUQUOXSB-HBGVPEAKSA-N 529.864 6.763 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2069526789 DIMYHZDULFSWLS-ITKSDRJGSA-N 641.142 11.150 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CCCO2)c1Br 2085494660 NBUOARXUALCQEF-RQJHMYQMSA-N 570.739 6.742 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@@H]3COC[C@@H]23)c1Br 2085497197 ZFXUXIYWTZYEEC-QKCHBMAPSA-N 568.723 6.065 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)s1 2092335872 RNMMWTXGCSDLPP-LBPRGKRZSA-N 533.905 6.666 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@@H](Br)C1CCCC1 2110730708 MJZKULOZFWCRJE-NSHDSACASA-N 565.869 5.708 50 10 KKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471738 VMLPXWUXKBCTDZ-PUMQYWBSSA-N 584.766 6.988 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2141474255 YPNGIHYAPLDGJJ-CFRZUPNOSA-N 578.762 7.075 50 10 KKGE Brc1cc([C@H](Br)c2csc(Br)c2Br)cc2c1OCCC2 2150345511 OHTOAPBMTZWWTA-NSHDSACASA-N 545.916 6.845 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1csc2c(Br)cccc12 2169669243 ZAFRVLVGTQIGMQ-AWEZNQCLSA-N 526.006 6.892 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)cc2F)c1Br 2201069529 KNDHVQUBYQNVKU-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(F)cccc2Br)c1Br 2201072537 VNDNKXZBXRGVOC-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396754 AQXBOLVUGLYHRK-LLVKDONJSA-N 706.605 7.965 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCCO2)C1 2206397512 JXMBCSUULJODBX-MBWFCSIISA-N 552.326 6.976 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@H]21 2206397817 NCBJDEPCGUUWGQ-PZTZUFLPSA-N 602.731 7.464 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csnc1Br 2213490694 VKIMVAQDZKGXSV-VIFPVBQESA-N 508.830 6.054 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237457681 JKIRKZYEVISUOZ-JTQLQIEISA-N 550.285 7.445 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277959309 QWGMGOOGOYHLQG-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)c1 2295979392 CFEUXTUGQDRAEK-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2296704987 BJMJXVDKFVENMF-RUZDIDTESA-N 518.661 7.283 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2297451135 UXTXBPOFVQRXAY-UHFFFAOYSA-N 518.820 5.094 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 2313510959 GIAHTCBWJHAQJH-UHFFFAOYSA-N 540.357 5.433 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 2313566817 BBPGAYOKKIKYEA-UHFFFAOYSA-N 534.635 6.068 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313567711 MZTFSRPWDMFBNV-UHFFFAOYSA-N 591.462 5.591 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441019 VIGPZGBYUIBCIE-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314482717 SZEWYRCUORRRCD-GDLZYMKVSA-N 571.706 6.627 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591796 FCQSLIYOHVNCEU-NDEPHWFRSA-N 525.674 6.582 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593910 VWNKCIRAEPEIQL-NIYFSFCBSA-N 532.065 6.042 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314610032 CJGLDOXABPJIDU-UHFFFAOYSA-N 559.582 5.639 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCCC)cc2)cc1OC 2314777903 ZVUBYKMQHVTYMD-UHFFFAOYSA-N 504.627 6.096 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(F)c(Br)c1 2316724249 JRCHPASBNIWZCO-QMMMGPOBSA-N 505.805 5.331 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)c2ccccc2)cc1OC 2331266926 NZAKVTHBBZERDF-UHFFFAOYSA-N 501.007 7.514 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)c(C)c1 2331308967 IJLZTDSQMUAEID-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCCN1CCOCC1 2331453370 LTPIOBDYJFWBNP-UHFFFAOYSA-N 503.668 5.891 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2331485093 PIWQATIVMKHJLZ-UHFFFAOYSA-N 509.878 7.539 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 2362225575 QRXDTGBOICFYSM-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1cccc(Br)c1 2365186163 NTXRPNGEUDESDE-LLVKDONJSA-N 529.867 7.100 50 10 KKGE Clc1ccc(C(CBr)(CBr)Cc2ncc(I)cn2)cc1 2381294097 VKAGLWRQRVUOHA-UHFFFAOYSA-N 530.429 5.005 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 2381380008 KDFIAGGBDWPISJ-GOSISDBHSA-N 501.327 5.673 50 10 KKGE COc1cc(/C=C(\C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2885302 LUINYNRZEUKCRZ-KEBDBYFISA-N 537.313 5.723 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OCCC)c1 20595455 RYGUXEXEDLNRCT-JFLMPSFJSA-N 505.453 5.988 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29490944 PHOGFZNBJKCKON-QQTULTPQSA-N 558.642 5.672 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1C 34983910 KEDPXBSWAXLQTG-NKFKGCMQSA-N 501.590 6.740 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 38660349 KLSZJJXRGDPVFA-MHZLTWQESA-N 518.997 6.211 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812816 JNUIOIKKQUJMNG-TURZUDJPSA-N 514.807 5.404 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813629 WSONWFVUESUGBC-AWSUPERCSA-N 500.643 5.251 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 40911593 KWVHREAKUNPCDY-KVSWJAHQSA-N 507.801 6.072 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1C 40924600 MOVWNWNJHZECOV-MUFRIFMGSA-N 517.676 6.339 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 58889817 SKDUSTUQOPVVNX-HVXFLFEHSA-N 521.828 6.198 50 10 KKGE C(=N\CC/N=C/c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1 59335881 YPYYPCOFIRQIDP-XIZUVVSZSA-N 604.674 6.741 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 59433097 FEEVKQKOABCTKZ-PXLXIMEGSA-N 513.391 6.736 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1 59679800 GEXVYWNMNITRMD-RWPZCVJISA-N 507.384 6.245 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 100237176 UVTRTDBFHYZKQB-LCVHJTKWSA-N 575.887 6.053 50 10 KKGE COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc(OC)c1OC 100317987 HRXYIIDASLCQOW-OKCVXOCRSA-N 586.501 5.899 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241386 RMWNRTSSSGZGIQ-IEQIIXMPSA-N 535.591 6.065 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243133 VWCAHIHIPGBMQK-WWTUHYLUSA-N 560.517 6.315 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101367006 FFCCHJZCZLFSOY-HHHXNRCGSA-N 534.996 5.567 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367552 OTGWRRNTXJLKSB-HKBQPEDESA-N 548.595 6.110 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101386551 LXSGCDKJDWGERT-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387551 GEFIESKUZBBYER-LJAQVGFWSA-N 618.429 6.927 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101387831 LWZXVIHNOLPCGH-ULKXQASOSA-N 594.639 6.703 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388089 AEZMOBAJDHBNMU-PMERELPUSA-N 571.004 6.894 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101388886 PARPUYFXPAJXQZ-AIKJVNBHSA-N 597.042 7.294 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101395688 WLLAXBSYRNKDMH-NDEPHWFRSA-N 597.495 7.407 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)oc2c1 101397762 KKDONTPJXIZUHF-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2c1C 101398023 FDHLSCKUWHRVRP-WJOKGBTCSA-N 625.508 8.681 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccccc1C 101766148 BGTDNRCITOAHFT-VFLNYLIXSA-N 545.861 6.144 50 10 KKGE CCn1c2ccccc2c2cc(N/C=C(/C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)ccc21 102419691 AGCIEGZPICVURZ-SDXDJHTJSA-N 567.468 7.783 50 10 KKGE Brc1cc([C@@H](Br)c2csc(I)c2)c(Br)s1 118884112 HSJDLIVLCBDCPG-QMMMGPOBSA-N 542.881 6.424 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497342 XMXPDUFEFSGILC-UTOCKENXSA-N 659.573 8.779 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1Br 164602684 PVYTVTMTYHXQIU-KCSSXMTESA-N 626.960 6.579 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 196945048 AOXWVTIMEGOVNF-DTDOVMAYSA-N 763.964 7.170 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 205664362 WQVQSISCYBLUJV-HDTYQEJWSA-N 574.652 7.539 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 214326845 OJXMTJYXIWMALI-OZVJIIIZSA-N 522.605 5.099 50 10 KKGE COc1c(C)cc([C@@H](Br)c2cc(I)ccc2Br)cc1C 234919671 LVASTRFJAYBXEP-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(SCC(=O)NN=Cc2cccc(Br)c2)n1-c1ccccc1 252626667 RDEAZMMYEZOUPN-UHFFFAOYSA-N 661.367 5.797 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)CNc2ccc3ccccc3c2)c1 254447391 CAXQRJGAXIHARC-UHFFFAOYSA-N 595.291 6.455 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Br)cc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Cl)ccc1O 254495816 RREYXSLEWKWNQN-MRXNPFEDSA-N 585.915 5.632 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 254696563 TVZANOQGWVRDGZ-UHFFFAOYSA-N 557.657 5.174 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)cc1COc1ccccc1[N+](=O)[O-] 254752093 GUVHCQPRFXLSAV-UHFFFAOYSA-N 590.636 6.949 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2OCC)cc1 254822648 SVDNMTNNCZXHIN-UHFFFAOYSA-N 538.600 6.046 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 254863273 KRAMIFLLQKGKPL-UHFFFAOYSA-N 513.667 5.878 50 10 KKGE Clc1cc([C@H](Br)c2cc(I)ccc2Br)c(Cl)c(Cl)c1Cl 405069823 GAXHWDDBHLCNIT-SNVBAGLBSA-N 589.707 8.152 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@H](O)[C@@]1(C)O 504782021 SGGANCFJEHZNCI-TUPUXDQKSA-N 979.452 7.344 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)cc2Br)cc1Br 693106408 HFOJLQCPFKREMX-LLVKDONJSA-N 501.842 5.500 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 725415889 YTPWNGCORFXUKS-QFIPXVFZSA-N 627.704 6.250 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@H](C(=O)Nc2ccc(-n3cc(CNC(=O)CCCC[C@@H]4SC[C@H]5NC(=O)N[C@H]54)nn3)cc2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 1082548623 DFYPXYLXXBRPOO-RXFHTDLLSA-N 927.617 6.228 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 1083962233 NMTNNPWDFWIIRX-UHFFFAOYSA-N 518.480 6.913 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084031364 LINMOMFDWKTPOC-UHFFFAOYSA-N 670.476 7.596 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084049878 NPKDXKXPUSEUDD-FYJGNVAPSA-N 556.877 6.490 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1 1084169110 XIOFOPHHFWWGCX-HAVVHWLPSA-N 532.438 5.292 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)o2)cc1 1084241185 WGIZADMZKVOTDV-UHFFFAOYSA-N 600.480 5.776 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084381186 LULUVFLUYSPLQZ-UHFFFAOYSA-N 671.956 7.727 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)Cc1ccccc1 1084557412 KMSRMUBVUSDHFY-UHFFFAOYSA-N 521.573 5.250 50 10 KKGE CCn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nc2ccccc21 1084577884 QTQKYQQWGMRZHM-UHFFFAOYSA-N 507.059 6.311 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 1084642639 OGQQURIILKXWBS-UHFFFAOYSA-N 548.064 5.649 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Cl)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538166 YHFMMZUOMCRTSB-VRMFBNSCSA-N 521.295 10.208 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744625 GABYSOXBKNXUSC-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746178 CRSNIDQHBYOCIV-UHFFFAOYSA-N 548.242 6.137 50 10 KKGE Cc1ccc(COc2cccc(C=NNC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1 1772754921 ZLMMGGNZLVVFRW-UHFFFAOYSA-N 508.068 6.593 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865688525 UIZMCGYDSVTEBT-LJQANCHMSA-N 515.795 5.173 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688955 GDYVBAKYFXDXNZ-MHZLTWQESA-N 579.459 6.745 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1865689027 IEJONBBIHDAORH-SANMLTNESA-N 567.860 6.947 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689838 XNDKKAUIAAMXSA-HSZRJFAPSA-N 577.410 5.441 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865690292 NNOGVONULAKNOI-HHHXNRCGSA-N 506.606 6.335 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865692755 PDBITLTUDGMVFV-VWLOTQADSA-N 565.512 6.692 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865693381 JEXLNKFEOIZMCL-DEOSSOPVSA-N 566.967 6.740 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865694073 PEDVLWOXQJMYQT-PMERELPUSA-N 575.068 7.389 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 1865694155 UZWNIQJHYAZMMK-XMMPIXPASA-N 532.522 6.005 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695537 PLYONUZIVWYTPF-LJAQVGFWSA-N 533.031 7.038 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865696720 QMMXLVBPWCVIHX-LJAQVGFWSA-N 552.650 6.923 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Br)c1OC(C)C 1865696979 MHKHNDKYRWIHMB-QFIPXVFZSA-N 543.849 5.670 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702563 BNIFPSVKBSCVII-WJOKGBTCSA-N 526.640 7.084 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704118 NPQWVVTZRYSZTM-PMERELPUSA-N 547.058 7.429 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712478 ZSRYDSLVYCSDOO-HHHXNRCGSA-N 574.603 6.934 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866729612 QIJVAVKRKSPMNS-WUFINQPMSA-N 585.682 5.206 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(CN4CCOCC4)CC3)n2)cc1 1868320281 GPESBPHFFDBUDF-UHFFFAOYSA-N 500.672 5.317 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415583 ZNGVNJISRJCCQR-RUZDIDTESA-N 531.016 5.930 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccncc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433137 FVGCOPFJPURKCZ-QHCPKHFHSA-N 501.015 6.087 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(N4CCCCCC4)CC3)n2)cc1 1868527775 HNXYRGZZMJSEGT-UHFFFAOYSA-N 528.726 6.704 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(F)c4)CC3)nc(-c3cccnc3)n2)cc1 1868565899 PLHZKJGLSWXYRG-UHFFFAOYSA-N 525.657 5.749 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C(C)C 1872753830 OWVOSTVTYWCGFE-LVWGJNHUSA-N 515.635 6.595 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cccc(OCc2ccccc2)c1 1923037000 AFYRULOTEXYGHM-OAHLLOKOSA-N 507.074 7.834 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cs1 1923067033 XRFKKKCFGPDJIK-LURJTMIESA-N 519.427 7.491 50 10 KKGE C[C@@H](C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924567997 AEQOLZHLFVIGED-RCOVLWMOSA-N 509.927 7.298 50 10 KKGE FC(F)(F)COCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924591674 SSHPDXIHQXCIFL-BYPYZUCNSA-N 539.831 6.441 50 10 KKGE Brc1ccoc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924609198 TZUBYPYICDJKNJ-RXMQYKEDSA-N 558.709 6.875 50 10 KKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997140830 BFXLLLHBIFASHF-IYSWYEEDSA-N 511.899 6.287 50 10 KKGE Cc1ccc(NC(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(C#N)c2nc3ccccc3s2)cc1 2053623306 QLNKQOXWQUJFKN-UHFFFAOYSA-N 559.038 7.953 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1 2080763559 NTSLMRQKMJNSQM-VELXTTODSA-N 607.600 7.624 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Cl)ccc2I)c1C 2082885764 SPDJTIWMCUERAS-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE COC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500652 PIIYULNOYYDGMQ-JFWOZONXSA-N 570.739 6.455 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2097834410 KXRIVBHAQDEYLN-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2141469226 SZSKLKGGQCHHPS-BUHBCEKZSA-N 582.750 6.598 50 10 KKGE CC[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141469487 AVIRSFGSGBFAOL-MLUIRONXSA-N 592.736 7.854 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@@H]1[C@H]1CCN(Cc2ccccc2)C1 2154363661 QTIWWRBBXLXIRO-AZUAARDMSA-N 512.717 6.488 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(OC)c1Br 2172569322 LTKXXZVKKONSBO-JTQLQIEISA-N 505.453 6.428 50 10 KKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(Cc1ccccc1)Cc1cccs1 2179830394 KXFBGFQMZPCLFS-UHFFFAOYSA-N 505.286 6.341 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2206399647 KBSRHOBRYTZJCG-IPQYHECASA-N 596.777 7.130 50 10 KKGE Brc1c([C@H](Br)Cc2ccccc2I)ccc2c1CCO2 2238064488 ZQCHDGFWGMSVCR-CYBMUJFWSA-N 507.991 5.667 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Br 2240907675 LJDLJZDGWGZINH-OAHLLOKOSA-N 501.871 7.506 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)c(C)c1F 2264476636 QPXMTYBAGQKQAY-JTQLQIEISA-N 535.896 7.276 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(F)cccc1I 2267662476 DEWSKGNNOJXQTN-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)c(Br)c1Cl 2283559482 AEFJHODDBLNGEW-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)c1 2293198231 LVVZQPWDVRCRGJ-QHCPKHFHSA-N 536.426 5.962 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 2293746737 UDVLAZOVFBQGBI-UHFFFAOYSA-N 548.466 5.613 50 10 KKGE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](N=Cc1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12 2296604799 HJVPMMQNVLOVDY-SDILRWGLSA-N 828.145 11.909 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F 2313557209 XBAXIRFEYXFIAJ-UHFFFAOYSA-N 562.439 6.313 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 2313567182 HTXGOZNRQGWJCS-UHFFFAOYSA-N 514.217 5.939 50 10 KKGE Clc1cccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314444799 ONXWXBBPEBVBAM-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C1 2314476185 KGVRIJLZZDAGJT-ZRZAMGCNSA-N 569.687 5.022 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592241 OTGAPIPJEYAQHY-XMMPIXPASA-N 504.011 5.722 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592436 TVIPCRYEINWDCU-VWLOTQADSA-N 502.039 6.276 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593333 LHYGTMMKDKQNSR-HSZRJFAPSA-N 525.552 5.658 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314616581 FBVDAFCCLMIKPZ-UHFFFAOYSA-N 603.122 7.697 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314616646 GHXANKGZYLFBQX-UHFFFAOYSA-N 590.683 7.219 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616718 ICHKZXFEGAYKIP-UHFFFAOYSA-N 623.507 6.154 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314617511 ZNLWNCPDZOFEFK-UHFFFAOYSA-N 577.084 7.082 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 2314751071 NMLCBJKWELJREM-UHFFFAOYSA-N 514.578 5.547 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)sc2c1 2329663565 ALICXUUWDBIMCS-UHFFFAOYSA-N 547.500 5.415 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331461135 OCPBCPUMWKMYBF-UHFFFAOYSA-N 515.078 8.413 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2c(OCc3ccccc3)ccc3ccccc23)n1 2331474652 YYQVJIHTWONXOA-UHFFFAOYSA-N 523.057 8.577 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(F)c(Br)c1F 2338719013 DAXNBZHKTMNARS-LURJTMIESA-N 523.795 5.470 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cn(C)nc1Br 2339656400 NKVCZWXQHCFPKQ-VIFPVBQESA-N 519.832 5.639 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(I)ccc1Br 2360432509 CSTATUGKRMDWGN-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE BrC[C@@H](OCc1c(Br)cccc1Br)c1ccc(Br)cc1 2366145759 XPWDPCSCZGFDGR-OAHLLOKOSA-N 527.876 6.627 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 3363010 IYLJEIAWDIZCCZ-UHFFFAOYSA-N 500.605 5.461 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 14665572 OYXAOFBZMPSTEW-UHFFFAOYSA-N 525.443 5.342 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38682972 JFNMLALABFHVKH-SSEXGKCCSA-N 526.633 6.366 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1O 59153013 FXSAJSLBHWWUHP-IPBDZQFASA-N 503.578 5.810 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336171 JEOBRUOHBICVPH-TURZUDJPSA-N 538.648 5.735 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 101340798 HYCFWOPZXUTLFX-WPWMEQJKSA-N 595.074 7.303 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101367931 MJUWNXDZHOIXKD-MHZLTWQESA-N 563.448 6.464 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 101374228 ZTSOJKBYQFVLGS-AYNHZGRJSA-N 531.008 6.220 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 101375403 YWZMZVAOKSIYFK-JGCGQSQUSA-N 556.659 6.555 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 101375559 GOCRZYJYJHCMTQ-XIFFEERXSA-N 584.713 7.661 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 101376944 UXEFXYABVJZKNV-AREMUKBSSA-N 533.422 6.455 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380973 VDFFXFAPASQQTF-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381714 IZOHEHGASJOWCV-JGCGQSQUSA-N 546.623 6.738 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389579 QKJMMGRJPFEXBV-XIFFEERXSA-N 629.084 7.276 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1Cl 101391329 JVKHMSPCCSRVQF-NRFANRHFSA-N 546.204 6.202 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)oc2ccc(Br)cc12 101391498 NFMMVPFDINGZCU-QHCPKHFHSA-N 580.232 6.704 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)cc1 101406029 TWXKEWMGXGHRKE-GDMGRDRRSA-N 618.715 5.081 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101493528 JVTMJKCXTKMRMM-UHFFFAOYSA-N 521.670 5.864 50 10 KKGE CCCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 101727129 UQWYKYKTSPPVRX-LQKURTRISA-N 576.582 7.173 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccccc1Cl 101766430 ANWUZARXAGIQLK-IPPBACCNSA-N 545.861 6.343 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1Cl 101906024 SVJBHDZBMDNLBL-OCKHKDLRSA-N 560.275 7.506 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 103880466 LUTDZRZPZWCVTH-QNKGDIEWSA-N 552.472 6.720 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 109844710 DWHONUSUIAUYRZ-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE BrCC(CBr)(Cc1ccccc1Br)c1cccc(Br)c1 118878822 OOHRTUKEOMVCEH-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 118920362 UISXOAJBTYXLPL-HTUVUOSZSA-N 633.701 6.787 50 10 KKGE CCC[C@H](Br)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920687 HNLMHAUNUCSDSQ-YSQKDFNPSA-N 549.678 9.503 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432897 NBLBGMMUGWKGCE-GTJUCTONSA-N 649.502 7.701 50 10 KKGE N#CC1=C(N)n2c(s/c(=C/c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)c2=O)=C(C#N)[C@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 150556003 RYCHZRJRQYBFLB-OGAMYGGNSA-N 783.018 7.168 50 10 KKGE O=S(=O)(Nc1c(I)cc(I)cc1I)c1ccc(CBr)cc1 155066570 LIPGJZUKISERSL-UHFFFAOYSA-N 703.903 5.196 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Br)cc1 163801575 JPBGXAKSAVWSRO-KVSWJAHQSA-N 637.122 7.072 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl 164628054 QNNMDENSVSFYHM-FDALDRLYSA-N 642.981 8.610 50 10 KKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C)(C(C)C)C(C)C 195826927 VMDTYXALDGTNQY-IDRJUWTBSA-N 621.035 11.255 50 10 KKGE in-vitro CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccccc1F 205670987 REDGFRRRLPFNBX-SCQRWLDGSA-N 562.597 6.640 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253565984 IKKJILVTIKCKQZ-MUTCNYEQSA-N 715.972 8.438 50 10 KKGE O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 254403893 XHVJQRHSQQWGSP-UHFFFAOYSA-N 537.469 5.967 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254634262 SAVZZFAGUHSMIX-HHOYXHGESA-N 540.649 6.048 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cccc34)CC[C@@]1(C)C(=O)[C@H]2Br 256019751 BPJGYKSUGQNXHG-NQNSEQAMSA-N 672.458 7.035 50 10 KKGE C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390465142 FINTZXQKYCAPBD-IBGZPJMESA-N 514.870 7.330 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 575625236 CBYATNWDDXHUQS-MHHVQTQNSA-N 781.541 9.191 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2ccc(O)nc2=O)[C@@H]1O[Si](C)(C)C(C)(C)C 616584703 FZEZVYLDVFRXAW-IEVPHXFESA-N 801.010 8.907 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 725441206 KBUODVWHRZPPRJ-DEOSSOPVSA-N 655.302 6.134 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 1083982786 JXPHHMSJEWISAB-UHFFFAOYSA-N 512.056 6.170 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1 1084014018 LYOQPEURDIBBNH-UHFFFAOYSA-N 654.188 7.395 50 10 KKGE CCOC(=O)c1nn(-c2ccccc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OCC)nn2-c2ccccc2)s1 1084058559 NGCZWVKFEDIZDW-UHFFFAOYSA-N 712.904 7.799 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084070867 ZTQNQFYGTXLYSO-YVLHZVERSA-N 557.198 6.244 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1)c1cc2ccccc2o1 1084092955 QKHDHDHSNKXHLX-UHFFFAOYSA-N 593.190 6.282 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 1084272721 ZIUVSTFMANGFEU-JOCHJYFZSA-N 531.834 5.654 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C)cc1 1084285202 XMJFPVLDAWFPLB-KOEQRZSOSA-N 607.492 5.833 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 1084291502 OYPXVALFCHVXRK-XMMPIXPASA-N 514.981 5.429 50 10 KKGE O=C(CCCCC(=O)NN=C(c1ccccc1)[C@H](O)c1ccccc1)NN=C(c1ccccc1)[C@@H](O)c1ccccc1 1084322889 CVLMRNMQWDMXSO-AQOUDTPCSA-N 562.670 5.055 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1084397110 KJYNGTUKCUBAKR-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1Cl 1084433149 DYKOPUFKCRLVKI-UHFFFAOYSA-N 648.122 7.102 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)Cc2ccccc2)cc1OC 1084482251 BKJHEKNTZZSUPY-UHFFFAOYSA-N 628.673 5.471 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1084597061 DELRLNVBEMGXFV-UHFFFAOYSA-N 648.509 7.227 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084600766 QASQYJIBCFYHCG-UHFFFAOYSA-N 607.642 6.862 50 10 KKGE CCCCCCCOc1ccc(C(CCC)=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c(O)c1 1565517444 RSQZWZUERVHSLN-GDLZYMKVSA-N 512.694 7.368 50 10 KKGE FC(F)(F)C(OOP(OOC(C(F)(F)F)C(F)(F)F)OOC(C(F)(F)F)C(F)(F)F)C(F)(F)F 1772508886 WUIGFCBHEAPBIB-UHFFFAOYSA-N 580.055 6.538 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747442 OSFGXCJSGIMJQD-UHFFFAOYSA-N 526.681 5.764 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434917 FTUXKEAMZSWESO-OCTFAZIQSA-N 677.433 6.812 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688214 NDUQFXMVNLSMNH-RUZDIDTESA-N 519.432 6.571 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865688869 CVOHHYFEDLMZAK-MHZLTWQESA-N 547.442 6.602 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689770 WFNTYGAGVXKLFJ-JOCHJYFZSA-N 579.838 5.896 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865691294 OSOTWCSZIZUGMT-HSZRJFAPSA-N 571.903 6.315 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695157 LMGXQMQVPZDXOB-WJOKGBTCSA-N 548.687 6.615 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865702751 DMVVOZZIDNQHRI-VWLOTQADSA-N 512.997 6.208 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865703424 VMYCCAZFDGQWRZ-PMERELPUSA-N 559.069 7.357 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707087 NKVVTFJJOGKFPC-MHZLTWQESA-N 564.086 5.011 50 10 KKGE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711537 AVLPPHCRIGFQOG-XIFFEERXSA-N 554.650 6.616 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3cccc(Cl)c3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866668040 YVGSETKUVLISLH-HHHXNRCGSA-N 589.073 5.711 50 10 KKGE CSCC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867007285 HWVAGQQTJNJDEK-PKTZIBPZSA-N 502.105 6.064 50 10 KKGE CCC[C@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867028796 IKWLNRPDZHJNJJ-FCHUYYIVSA-N 535.695 5.237 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867097521 COVNLWRGZSHVOL-WXVAWEFUSA-N 521.633 6.424 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1868388928 PCBABSRVDNTSEN-UHFFFAOYSA-N 533.061 5.776 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751283 ZUOHPOFJMAWHKD-WMYZDNAPSA-N 501.564 5.085 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 1872790744 CCMNTCWVCJANPB-RDRPBHBLSA-N 514.650 8.341 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792316 RNUMEGFPNCUMQJ-DJKKODMXSA-N 507.398 7.489 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(Br)c(Br)s2)s1 1900919309 MDCMBIXXRYSKTM-ZETCQYMHSA-N 577.326 7.077 50 10 KKGE CN(Cc1cc(Cl)ccc1I)C[C@@H](Br)COCc1ccccc1 1916371199 WWVIPEXQGPDLLQ-MRXNPFEDSA-N 508.625 5.357 50 10 KKGE CS(=O)(=O)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923074495 NFRDOJSIAKBREG-SECBINFHSA-N 523.493 5.814 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924608705 LYQGILGDBPYTKZ-SSDOTTSWSA-N 600.765 7.616 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)cs2)c1Br 1981401558 KYJYDJRYGPHVOO-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Cc1sc(CBr)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1984646890 URLFUYHVEBPIEC-UHFFFAOYSA-N 507.519 5.274 50 10 KKGE N[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2025780160 PMCASAUAWPHYOA-ZROIKLNDSA-N 511.277 5.754 50 10 KKGE N#CC(=Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C(C#N)=Cc3ccccc3)cc2)cc1 2053624915 VWUCFRHXPPHNHI-UHFFFAOYSA-N 537.579 6.030 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 2065891304 XGWSXEVWCNXRFZ-ZETCQYMHSA-N 542.316 6.168 50 10 KKGE CCc1nc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)s1 2083333487 NXFHWTWJFRIYBA-JTQLQIEISA-N 518.894 6.477 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Br)c2Cl)c1Br 2138848586 BBYWEVZRRUNWQT-CYBMUJFWSA-N 532.295 7.420 50 10 KKGE CCO[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398345 UIMXHSVJAXZXDH-WFEFGEHDSA-N 554.342 7.222 50 10 KKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408566 KNXRVXMYWVUZLA-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(I)c1 2218598476 SZIZAZHRQVBDJB-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2224055436 QGYJKSAVBMKFIK-SECBINFHSA-N 629.775 7.433 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 2232160565 BUPZCOQIWBUZED-QMMMGPOBSA-N 572.769 8.021 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(F)cccc1I 2282782164 AOCVLQUQFJFGQA-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2285277063 ZETYSTRVDZGFTO-WPOIXZHQSA-N 574.354 5.840 50 10 KKGE Fc1cccc(Br)c1COc1c(Br)cc(Br)cc1CBr 2289574133 LAZMOZSMJJNNAQ-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE N#CC(=CNc1ccccc1OC(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295956253 OKAAKFMYTPZQGH-UHFFFAOYSA-N 516.323 6.257 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1 2313540710 PTAICVGIOLFEFO-UHFFFAOYSA-N 507.340 5.281 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313546025 WYJLORIABLKXJO-UHFFFAOYSA-N 581.308 6.046 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 2313557210 XBJAYPFADINDDG-UHFFFAOYSA-N 558.451 6.643 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C1 2314432712 DPHRPGAFRIBYIU-JOCHJYFZSA-N 576.682 5.673 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1cc(Br)ccc1OCc1ccccc1 2314449989 VGYDBQRJQAVPGW-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2314476090 IOCXZXVYYXSHFO-UHFFFAOYSA-N 544.615 5.282 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc(I)ccc1Br 2314499917 IGWGHGWWUCJMBL-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592213 NYJUXQMFAMNTFS-VWLOTQADSA-N 501.583 5.598 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592286 PVBQWJYWPLAESM-RUZDIDTESA-N 546.490 6.439 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592494 VNPCGUCKLVWRKG-MUUNZHRXSA-N 509.675 6.711 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(OC)cc3)C2=O)cc1 2314592861 CWKVFACBNQYSNT-AREMUKBSSA-N 515.635 5.373 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593745 SEOKCMASAUMCAE-JIPXPUAJSA-N 511.647 5.697 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OCC 2314807846 CDSLDNBLVZTKAX-UHFFFAOYSA-N 532.036 7.609 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2317779935 YFAZNNCUJBLACA-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334327260 LHSKWPQARKMHTO-VXDIOVFMSA-N 580.778 7.609 50 10 KKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362919483 VNLMNUMRGAGGFU-CCBCZWRWSA-N 552.326 6.832 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2c(C)nsc2Br)c1Br 2365179711 PMTXKRLXAINAKF-NSHDSACASA-N 504.469 6.384 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccco1 1479998 IMKBHONMHSOVKC-ULJHMMPZSA-N 518.548 6.074 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1 38660037 KFWAWSRTZZCEGY-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCCC(C)C 38660399 HHWGZAPIULSJIO-HHHXNRCGSA-N 502.542 5.697 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38686029 JYRPHXSUNJLORB-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5)ccc43)cc2)cc1 38686273 MFMAXWMXMBGJMZ-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 38686696 MAQLGLQOBSLGHS-SSEXGKCCSA-N 522.988 6.285 50 10 KKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 40816291 SFRLTRMNBQBRLH-TWKHWXDSSA-N 514.409 6.000 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc6ccccc56)c(C)c43)coc2c1 40826947 WUJDDMQCDSDUQC-YQCHCMBFSA-N 519.601 6.756 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 40878999 NBJCVWZNOYIUON-LFVJCYFKSA-N 508.530 5.163 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cccn1-c1ccc(Cl)cc1 59248516 KRKFWWJHNGJFGM-FOKLQQMPSA-N 511.601 5.185 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 100236796 HAFSMSJLPBYKQG-LUHMOWLYSA-N 570.300 7.242 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243811 SEOKCMASAUMCAE-QHTYFLMPSA-N 511.647 5.697 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101334976 OBZSKWQTRDGURC-AJBULDERSA-N 570.693 7.065 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383935 OEEVPIWIBCUWCF-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384255 XBGRMCHOJWQMRG-HKBQPEDESA-N 550.586 6.631 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386478 LJRPQYUHIPGSLD-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc(OC)c1OC 101393529 MNUQRTMUEKBBGX-RUZDIDTESA-N 591.414 5.967 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)oc2ccc(Cl)cc12 101398116 LZEXFRASDMOOQW-PMERELPUSA-N 563.009 7.411 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399027 BXFBJXZHQJDLPW-UUWRZZSWSA-N 600.671 7.691 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399328 GCFYZIASHKOIQA-HKBQPEDESA-N 611.025 7.559 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614635 QRVZSSHDAJRPLA-MWBNBJEGSA-N 571.449 6.622 50 10 KKGE CCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 101727040 CMFFMFDKSLOGAK-DHRITJCHSA-N 534.501 6.003 50 10 KKGE COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl 104580862 ZCNNUMRTBAGMJT-XKJRVUDJSA-N 541.751 6.473 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 104800013 ZRPIWTVXHAYRQN-ULJHMMPZSA-N 578.653 7.995 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cccc(I)c1)OCCO2 109865799 FMSRCYHGQGMZLS-OAHLLOKOSA-N 509.963 5.309 50 10 KKGE O=S(=O)(O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(SOOO)cc4)c4nc(c(-c5ccc(SOOO)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150342364 CDPQUVKFUQEVSX-UHFFFAOYSA-N 935.008 10.674 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150443348 SBXSRHWVYGVFJP-LJAQVGFWSA-N 661.538 8.762 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C2=O)cc1OC 150496989 SKMSSKKEPOESMT-PPFNPFNJSA-N 664.762 7.279 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1 164723301 SFPPJMQCERWTQZ-JAIQZWGSSA-N 634.255 6.637 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776733 QFZOXLQJTNKEHM-AWUWXFTQSA-N 616.699 5.021 50 10 KKGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206303829 UZIRMHJCEJNBNL-DOPREVFHSA-N 513.546 5.290 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214318583 WKMQVBMXQAHAQV-CLYXNRFPSA-N 530.584 5.557 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214422438 WDJIQGQFPZVKIJ-FSGOGVSDSA-N 572.621 5.274 50 10 KKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)ccc1I 236142273 KVQXZODQRZCSOG-LLVKDONJSA-N 518.389 6.525 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccc(Cl)cc1Cl)NN=Cc1c2ccccc2cc2ccccc12 252612727 IUYXRHJBAALXFA-UHFFFAOYSA-N 611.558 7.735 50 10 KKGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)CCc2c[nH]c3ccccc23)c1 252629812 UOFGWLBYAPWGTK-UHFFFAOYSA-N 506.400 5.601 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254696748 BFMOJKUETCBQAM-UHFFFAOYSA-N 599.760 7.789 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(I)ccc2Br)c1Br 383643931 MGQLKWRRGINXSG-VIFPVBQESA-N 604.849 7.381 50 10 KKGE Cc1cc(C)c([C@H](Br)c2csc(I)c2)c(C)c1Br 394121772 CNGQLHJWUHJWGJ-CQSZACIVSA-N 500.037 6.525 50 10 KKGE Clc1ccc(I)c(COc2ccc(Br)cc2CBr)c1 405293180 JAAOLYHERPBGSS-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1 721612888 JNAQTAYCEHKZDM-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1OCc1ccc(Br)cc1 725445004 ITHZIMIZGFSZKP-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)C[C@@H]7SC(=O)NC7=O)CC[C@@]6(C)[C@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@@H]3C1 1076011192 YMOJHOVBTLWOMT-IPGWOZEJSA-N 705.756 7.562 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817659 WUWBJKZWDLYUSB-LVIOGHJBSA-N 684.943 5.808 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 1083897030 LMUVPIBZPJWFLP-DEOSSOPVSA-N 575.887 6.053 50 10 KKGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1 1084100416 VOPLJHKLZNZXEV-UHFFFAOYSA-N 609.546 5.206 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1OC 1084155438 WBHQMZSQRPBOQD-UHFFFAOYSA-N 602.757 5.112 50 10 KKGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc(Br)c1 1084226116 BHOPSRZNVKADQP-UHFFFAOYSA-N 534.863 5.223 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084287773 GQQUXDWHVCHCSW-UHFFFAOYSA-N 564.063 5.273 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(F)cc2)cc1 1084363978 RGOUSTOWNAYYLI-UHFFFAOYSA-N 536.604 5.026 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 1084373173 BFXFMVJDWFIGSR-SANMLTNESA-N 502.998 6.045 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1084416064 LUNPMAZPKCCNEH-UHFFFAOYSA-N 576.436 6.628 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(N(C)C)cc3)cc2)c2ccc(C)cc2)cc1Br 1084506841 KRAUQUAHZLPNPG-UHFFFAOYSA-N 635.584 5.992 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1084521322 PZMZTSKZBXVYTO-UHFFFAOYSA-N 846.168 8.101 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OC 1084571517 MZWVOSLJHJAWNJ-UHFFFAOYSA-N 507.590 5.497 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084599034 XRJSURKQEPEMKI-PMERELPUSA-N 576.644 6.651 50 10 KKGE O=C(CCCCCCCC(=O)NN=Cc1cccc(Oc2ccccc2)c1)NN=Cc1cccc(Oc2ccccc2)c1 1565517870 UOKCPJHAZIBVGB-UHFFFAOYSA-N 576.697 7.602 50 10 KKGE CC(=O)NC[C@@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@H]1C 1614465076 KGBSGBJFEOXATN-GYERWWOCSA-N 623.616 6.746 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718941 XGIDPZDWGDSXHH-LZRFMCMSSA-N 575.699 5.978 50 10 KKGE C[C@H](CCCI)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC=O)C[C@H]1C[C@H]3OC=O 1848441066 WSCYWNVMTSPMCJ-XJZYBRFWSA-N 588.523 5.341 50 10 KKGE COc1ccc(C(N[C@H]2[C@H](COC(=O)c3ccc(C)cc3)O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1 1857790091 BWTPIFCWNCKJKX-XRTMCZTLSA-N 875.115 9.491 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687570 VDZUKYMVVQZRJD-MUUNZHRXSA-N 541.051 6.343 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689037 IJKWFVYHNGMABO-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865689245 NFVLZPDYWFZTCV-QHCPKHFHSA-N 513.425 5.816 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865691113 JMDNSXYSENHREN-QHCPKHFHSA-N 571.903 6.315 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccc(Cl)cc3)cc2)cc1 1865693551 OXVSQTAFVXHYMR-PMERELPUSA-N 559.069 7.357 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865696901 TWTPJWRNBCPYSU-NDEPHWFRSA-N 514.670 6.378 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704158 OXHMWAAAFCIFTI-FQEVSTJZSA-N 502.924 6.008 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706892 IBRUMCUWWPRBEI-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707055 MTPZZOZOXXGSMD-MHZLTWQESA-N 510.041 6.333 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707324 UIXCNODMCQKZJB-MUUNZHRXSA-N 524.068 6.723 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)n2)cc1 1868321143 WRARMSAENDBLHD-QFIPXVFZSA-N 507.619 6.491 50 10 KKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)CC2 1868433824 ROXAVSJHLVSMKN-UHFFFAOYSA-N 516.026 6.825 50 10 KKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872746670 RYMBYKURGMVNMK-HUZQBFDWSA-N 508.397 5.686 50 10 KKGE Brc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 1899853519 UWNIFUMUWYKWLG-SFHVURJKSA-N 517.080 7.336 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc3c(s2)CCSC3)c1Br 1922880923 GPINEWSMFYXKGT-NSHDSACASA-N 503.144 6.917 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072707 RBSVFFQLGJOXOZ-ZCFIWIBFSA-N 542.316 6.390 50 10 KKGE CCCC[C@H](CC)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583294 IHIPLASOKBQUME-IONNQARKSA-N 511.943 7.688 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CCC3)c1Br 1924616448 OSYHAJJGEGBTJX-YLGCSUCGSA-N 535.965 7.832 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cscc1OCc1ccccc1 1939525266 BDLJYDYBXAODHO-CYBMUJFWSA-N 513.103 7.895 50 10 KKGE CS(=O)(=O)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2047875890 USEOOZPLWAPVKF-SSDOTTSWSA-N 545.938 5.439 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2082865305 DZMKDYOTHDUJGP-GOSISDBHSA-N 502.655 7.236 50 10 KKGE C[C@@H]1OCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496480 RCCAWMSAAHRXQT-WPOIXZHQSA-N 526.288 6.442 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCn3ccnc3C2)c1Br 2108963388 UVADILHLCHSBPR-RCOVLWMOSA-N 533.909 5.931 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121873 CULGNRIOCHMPCN-GZMMTYOYSA-N 501.456 7.531 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCC23CC3)c1Br 2141470826 LCZXYPRTMFIMOY-CPCISQLKSA-N 580.778 7.753 50 10 KKGE Brc1cccc(Br)c1[C@@H](Br)c1csc2c(Br)cccc12 2150492740 DHCZZHMMTRAZMD-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE Brc1cccc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 2150494680 SCZUFYFNVUCXRC-CQSZACIVSA-N 572.860 6.235 50 10 KKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(I)ccc1Br 2163745855 MFVBPLMUEBVNQR-MNOVXSKESA-N 515.027 5.127 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c(Br)s2)c1 2217424375 XBIOVWYOLDPKII-NSHDSACASA-N 550.879 6.670 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)c(C)c1Cl 2232528331 SGRBRCJNJMHIBS-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 2235611356 WIEATEUSOLDXOR-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2sccc2I)c1 2252837241 MEKHDGVKDZTEEJ-JTQLQIEISA-N 550.879 6.556 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2270955432 AJAUKOBPDIMPQP-SECBINFHSA-N 528.318 8.026 50 10 KKGE COc1c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)csc1C 2287319545 YXIBEVIGHYEELH-LBPRGKRZSA-N 568.350 7.443 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(I)cc2)cc1 2294168381 ICDKEYRAUOWOGK-UHFFFAOYSA-N 524.358 5.815 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 2296706751 ODUQNTPYQFHDLE-DEOSSOPVSA-N 504.634 6.811 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790256 ZVBOBPMDGLSPLR-LJQANCHMSA-N 521.708 7.184 50 10 KKGE CCOC(=O)C(C#N)=C(Nc1ccc(Cl)cc1)SSC(Nc1ccc(Cl)cc1)=C(C#N)C(=O)OCC 2297533481 BAHQJQYJGZNYHJ-UHFFFAOYSA-N 563.488 6.495 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3Cl)c(I)c2)cc1 2313568883 XZSHGRPTLCUIBX-UHFFFAOYSA-N 528.777 6.378 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570784 GFEWIUVCMFCKAK-UHFFFAOYSA-N 552.255 8.034 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccc(Br)cc2)cc1 2314433116 JVRHCLJDUXPGCH-UHFFFAOYSA-N 645.560 7.105 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C1 2314479453 XEGNYBGKMDNTGP-QHCPKHFHSA-N 557.720 5.316 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592613 YQOSOIYGBXLICS-HHHXNRCGSA-N 527.646 5.776 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593825 UGEMBKWLQYEQDU-KMRXNPHXSA-N 525.674 6.122 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314616703 HVKRTGHTGKTJTF-UHFFFAOYSA-N 534.660 6.499 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634317 BWYNPXONCYSBDW-JGCGQSQUSA-N 538.644 6.800 50 10 KKGE O=C(CSc1nc(O)c2c(-c3ccccc3)csc2n1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2320486376 FJPHHZNTBAWLEX-UHFFFAOYSA-N 561.088 6.539 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)OCCc2ccccc2)c1C 2329622353 SIVNTIZXLJCOLW-UHFFFAOYSA-N 518.591 5.187 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1OC 2329702836 XPKQKQGCYPDTNS-UHFFFAOYSA-N 545.025 5.537 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331260211 PPZNXQHTQFDYKZ-RUZDIDTESA-N 521.598 5.827 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(C)c1C 2331361347 LUNZUOQUUCUSQC-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(Br)c1O 2331491447 HOYDTTGZNCBXHC-UHFFFAOYSA-N 517.401 5.767 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc(C)c1Br 2336048769 XFABPQDIJPVWRR-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1Cl 2365186199 OBJDJFFESOWKIX-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)ccc1Cl 2365215315 IWUBVZGIQBTJQK-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)c(C)s2)c1Br 2365218687 MKFUAOLZCVTNRS-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1790152 INBPIIYJMZBBNX-KVHSSYOWSA-N 556.844 6.307 50 10 KKGE COc1cc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cc(Br)c1OCc1ccccc1Cl 33355960 SLZWBWFHQWIEAF-YLYVUXRMSA-N 724.837 6.787 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC[C@@H]1CCCO1 35446066 LORKSTUVJCALCV-IMBQCAHCSA-N 522.580 5.460 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1c(Cl)cccc1Cl 38679849 HFHGTVUXRAKJBE-AREMUKBSSA-N 501.369 6.513 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38687572 FWGJRMCZIYNXPS-MUUNZHRXSA-N 522.601 6.974 50 10 KKGE O=C(CNc1ccc(I)cc1)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 59261012 AWNALQLRDDGQBM-CCVNUDIWSA-N 503.343 5.751 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 100232024 DHZFWVGLDBIQPE-SLLOZXFSSA-N 529.406 5.530 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101333220 NBPMTMFURWSJHV-TURZUDJPSA-N 500.602 6.475 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 101338956 AMHBWNGUGDTKFZ-OVVQPSECSA-N 569.105 7.297 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 101340387 XFPIDZVSPQHHTG-WGOQTCKBSA-N 526.564 5.257 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362632 JQRJAZLCQQSYMF-YTTGMZPUSA-N 546.623 6.882 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 101369004 NRIPWTILJOHCRQ-VWLOTQADSA-N 555.812 5.622 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 101374132 PGNSVQYJWNUUAI-GDLZYMKVSA-N 533.024 6.284 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 101378147 JAQBTKGBTPPIMJ-SSEXGKCCSA-N 547.051 6.892 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381134 RVXYNMGVGABLPO-PMERELPUSA-N 591.422 6.914 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384459 ROXFCIAWIBIRSE-XIFFEERXSA-N 564.613 6.731 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387712 VABDNXCPBVAONH-SNSVSFJOSA-N 593.079 7.463 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 101393672 TVBABBYIHZDMSQ-VWLOTQADSA-N 545.389 6.258 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101398782 YTQNDNKBJRAZSG-IHLOFXLRSA-N 550.542 5.368 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101399997 UGIPLMWCTSHGNM-HKBQPEDESA-N 601.030 6.903 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1OC 101730185 HPXMCCMMAYXGAP-HAVVHWLPSA-N 591.686 7.322 50 10 KKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c1 102850375 DLZRTOPINLFGPP-QNGOZBTKSA-N 564.461 6.020 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 103797063 MNSCXDHZUGVSRQ-AMVVHIIESA-N 602.710 7.683 50 10 KKGE CCOc1ccc(N(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 104079863 FOQBTOXLNYYSIV-RGXNXFOYSA-N 578.090 5.663 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)c2cccc3cccnc23)cc1 105442854 MOEOREFSZMGPHE-QXUDOOCXSA-N 569.086 6.356 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1 150482087 LNWXKXVEZYZING-UUWRZZSWSA-N 659.566 8.587 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2cc(Br)ccc12 150482926 GQMLUZKVUFZVKZ-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 164696015 ACDKYMCPEAVUKH-CIAFOILYSA-N 625.317 5.775 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214397699 CTBDKPYNNUBEAX-ITYLOYPMSA-N 516.638 6.236 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@@H]4C(=O)NC(NC(=O)COc5ccc(C(C)(C)C)cc5)=N[C@@H]43)[C@@H](OC(=O)COc3ccc(C(C)(C)C)cc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1 229710836 FYWQQKYFOAURRE-BRAUDEISSA-N 908.255 6.973 50 10 KKGE BrCc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 232484712 KDULMESJEWROBZ-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2I)c(F)cc1Br 236234688 SDLSGPNDEKMFFC-ZDUSSCGKSA-N 566.803 6.579 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 252606865 GWQWEYSIIOYKQK-UHFFFAOYSA-N 604.832 5.476 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H](C)Oc2ccccc2Br)cc1 252629854 UOWKLCIQKADTQH-LJQANCHMSA-N 503.400 5.528 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)cc2)cc1 254352823 ZURRURMINZQPEC-UHFFFAOYSA-N 575.713 5.094 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254383715 HUWFDVONBVJVRP-UHFFFAOYSA-N 510.546 5.266 50 10 KKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254634006 SELYUSHZMGTDTL-UHFFFAOYSA-N 530.719 5.866 50 10 KKGE CCOC(=O)c1c(NN=C2C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)sc(SC#N)c1-c1ccccc1 254846316 QXIKQACLGQGHIN-UHFFFAOYSA-N 557.579 6.374 50 10 KKGE O=C(COc1ccccc1Br)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 254866496 KXULDUVWWSGKNF-UHFFFAOYSA-N 568.265 6.473 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(Cl)cc1 256028362 HGWPVCQAWNNTEU-UHFFFAOYSA-N 617.978 6.841 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(I)cc2c1OCC2 379939270 BLLDYTFIRXVKGQ-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 504198776 VWNXEDLLHIFAOL-CDQBIPCCSA-N 964.186 10.305 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627369 STDWDYDOHOANPV-PTWLBCKFSA-N 950.167 7.570 50 10 KKGE in-vitro Brc1cc([C@H](Br)c2cccc(I)c2)cc2c1OCCC2 689538291 CGNHSXRPEMUIGL-OAHLLOKOSA-N 507.991 5.863 50 10 KKGE Cc1cccc2nc(CCl)n(-c3cc(I)cc(I)c3)c12 690390263 ARCPBXOKHFRXLH-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)s1 705473454 ADXRXBOOFBCCTP-SECBINFHSA-N 539.934 6.728 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccncc2)CC1 725238468 UDNBTXBUCAYWRM-XMMPIXPASA-N 536.019 5.956 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 725426655 INFRFKLDWOKPFO-QFIPXVFZSA-N 536.253 6.299 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069124 HAYVDHBKYABBBI-RLNIKTQNSA-N 645.174 11.764 50 10 KKGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1083982696 IVBYYKFQGKQZMC-UHFFFAOYSA-N 584.097 6.418 50 10 KKGE COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 1083986225 FZTKILVUZWMGNM-BJMVGYQFSA-N 518.094 5.060 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084016084 YXWKKRXXAPKHCD-GRSHGNNSSA-N 515.824 7.479 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 1084102484 SKWBSCSHMXWODJ-UHFFFAOYSA-N 613.161 8.857 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12 1084216015 ITWOGNOSAAJWTC-NDENLUEZSA-N 582.281 8.042 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084243986 VREWVONDJNQSGU-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084433156 GTXNKNAZFZEYFL-UHFFFAOYSA-N 605.116 5.727 50 10 KKGE CCOc1cc(C=NNC(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084479932 LJTJMXAPTUMUME-UHFFFAOYSA-N 614.014 7.114 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084591215 MIYJYZBZELTJLU-UHFFFAOYSA-N 597.510 5.650 50 10 KKGE CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1Cc2cc(Cl)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015108 KMSLITUDBMNVLO-OXHOSHGGSA-N 648.969 5.755 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653273 JXPQCVHSTUWRIO-UKNHIXCCSA-N 532.065 6.042 50 10 KKGE CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615951054 UYVZJARTWCHJRZ-PMWNKBIASA-N 550.896 5.959 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(C(C)C)cc5)c(C)c43)coc2c1C 1772751390 ASMHHAJNNKFAEE-UHFFFAOYSA-N 511.622 6.726 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665551 YAHXNVGUCZQYAB-ULOSBXALSA-N 535.651 9.113 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690397 QHOMFNRVNUWUOO-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693671 PWIXSSCZFSFPMC-MUUNZHRXSA-N 508.597 6.129 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696586 IEXQEYHQHODUJV-PMERELPUSA-N 564.686 6.453 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697171 OOQHFEUWIZUWNX-WJOKGBTCSA-N 548.687 6.349 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701491 WUJNNAMEZCSORU-VWLOTQADSA-N 508.578 5.151 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cc(Br)ccc1F 1865702191 PAVMOZOFPHQOGL-QFIPXVFZSA-N 519.349 5.857 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703809 GFYFQNXNLZTTGK-SANMLTNESA-N 531.443 6.929 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 1865705605 ZXKHGERNAAQGNX-LJAQVGFWSA-N 572.596 6.183 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865706742 DSBOXQOMNSHXCW-DEOSSOPVSA-N 516.960 5.626 50 10 KKGE CSCC[C@@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931060 XBMPUUHTQYIZRH-HHHXNRCGSA-N 556.713 5.990 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)n2)cc1 1868320840 PMKNCWSWXWIKKY-RUZDIDTESA-N 558.505 7.109 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3)n2)cc1 1868365520 REDAPRPFVTYIGN-XMMPIXPASA-N 517.580 7.821 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)nc(-c3ccc(F)cc3)n2)cc1 1868456857 VGXUFVIPOQIBBM-WJOKGBTCSA-N 557.698 8.336 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 1872743990 CHEWVDYFIHQVMC-PNHLSOANSA-N 505.599 6.740 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1C 1872794812 XWRQOGNWJUYLCJ-KOEQRZSOSA-N 510.659 7.520 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2nscc2Br)c1 1899880380 XLCWFWNXRIBSAZ-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc(I)sn1 1899882594 KSCZJRLKHXZKOU-QGZVFWFLSA-N 565.068 6.574 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cnsc2Br)c1Br 1900418819 LIFJSQPXKSEYOA-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915076432 BKDVHEVYRZMOKT-AWEZNQCLSA-N 540.115 5.576 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2nn(C)cc2Br)c1Br 1922906153 HADZRWKGXHSLIM-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE Fc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924568540 ICHOZAIQGGGBRJ-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC[C@@H]2CCOC2)c1Br 1924604430 BNVZUJWVBNDUOI-RNFRBKRXSA-N 511.899 6.288 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCCOCC2)c1Br 1924616260 MZNJNTAORKFGAZ-HTQZYQBOSA-N 525.926 6.678 50 10 KKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1Br 2032958578 HJKBFNFTJLFBQO-SNVBAGLBSA-N 519.878 6.529 50 10 KKGE COc1cccc(NC(SCC(=O)c2ccc3cc(OC)ccc3c2)=C(C#N)c2nc3ccccc3s2)c1 2053623460 ZOCMEAVITZZYBR-UHFFFAOYSA-N 537.666 7.387 50 10 KKGE Cc1cc(CCl)nc(Oc2c(I)cc(Cl)cc2I)c1 2087735994 IKXKJKVAYKMSGS-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccc(I)cc2)c1Br 2141471307 QDZZAIHTSFUKHB-LLVKDONJSA-N 688.615 7.826 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(CCl)cc1C(F)(F)F 2145242460 QJMICOJPFOQOHI-UHFFFAOYSA-N 526.465 5.148 50 10 KKGE CCO[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398344 UIMXHSVJAXZXDH-PSQXESDUSA-N 554.342 7.222 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccsc2Br)c(Cl)c1Cl 2217613480 PGWBHWGYPOQANB-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509093 ICKCEDBZZMRWFZ-LLVKDONJSA-N 589.707 8.152 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)c(C)c1Cl 2232513298 WRBJNMURXRHMNM-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE C[C@@H]1C[C@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2234071172 WIENLJBTRPMQRU-ZBFHGGJFSA-N 511.689 6.178 50 10 KKGE COc1ccc([C@H](Br)c2scc(C)c2Br)cc1I 2257356273 SCZNXWNPAJONBN-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2264610252 SUDRIYJKBUNWQQ-VIFPVBQESA-N 682.089 8.698 50 10 KKGE Cc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1I 2277959321 RCLOBRGOLFZJJL-CQSZACIVSA-N 514.426 6.647 50 10 KKGE O=C1Cc2cc([C@H](Br)c3scc(Br)c3Cl)c(Br)cc2N1 2279286301 CXGHDJKRFRZNLF-NSHDSACASA-N 500.437 5.905 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 2293202110 DQLJLLAZPYFBTD-UHFFFAOYSA-N 544.504 7.554 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295332115 RZKUHRAXOQQMSS-HNNXBMFYSA-N 501.871 7.459 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2296507145 VLXGCKUZSRIJRG-XMMPIXPASA-N 532.021 5.582 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3[nH]2)c1 2296848594 ITKXQADJDRUZPP-UHFFFAOYSA-N 522.634 5.510 50 10 KKGE CC1(C)COC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2299622658 WBZAEBKBTMZDEG-FSPLSTOPSA-N 511.899 6.144 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1c(Br)cccc1Br 2303543575 RGVHPPJCODXOJS-CQSZACIVSA-N 520.059 5.312 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl 2313521532 VAONJSNXUJOTFT-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 2313631326 NZZCENQGWFNKFU-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 2313681222 VEPRJCMPPKDEJH-UHFFFAOYSA-N 556.254 6.735 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2314489803 SXYAECCRDGEPJG-UHFFFAOYSA-N 511.321 5.465 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(CC)cc3)C2=O)cc1 2314591900 HFFXUOXVJCIBEN-LJAQVGFWSA-N 523.702 6.965 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592219 OCOSJSAOIMGGTP-XMMPIXPASA-N 520.010 5.422 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592573 XXOPXZXKAAOETI-DEOSSOPVSA-N 548.462 5.913 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593308 LBILTVIGXUCARR-XMMPIXPASA-N 522.457 6.621 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593701 RMWNRTSSSGZGIQ-RUZDIDTESA-N 535.591 6.065 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 2314617259 UWPJNXYLCNLKHL-UHFFFAOYSA-N 574.656 6.958 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634656 TYBXSKNEPOAKKS-SSEXGKCCSA-N 579.480 7.408 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634733 DGUQDUSONLFMEM-PMERELPUSA-N 526.589 5.720 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314640793 ZWDLCQWMPXERRN-YTTGMZPUSA-N 548.570 6.250 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646896 TUUJURAQRRJYMN-JGCGQSQUSA-N 701.204 6.688 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1OC 2314792866 HRKDUJPROYYDIM-UHFFFAOYSA-N 512.429 6.088 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(Cl)cc1I)C(=O)OC(C)(C)C 2317801998 RKHPSBUPIXXSOG-SFHVURJKSA-N 593.671 5.912 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1Cl 2328821238 LCYGUUFBSFNPQG-RDPSFJRHSA-N 510.119 6.859 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 2331251049 IBFXLXGSKXVWAB-QGZVFWFLSA-N 512.462 7.305 50 10 KKGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254493 UAZCTWLTWKHPIL-UHFFFAOYSA-N 501.307 5.114 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331255969 KLHXMFAPOVZRLJ-UHFFFAOYSA-N 507.612 5.401 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331440961 GOUUFXUZYWGMBC-UHFFFAOYSA-N 507.442 8.159 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 2331471142 QKOVUZPINJIYSC-UHFFFAOYSA-N 513.059 7.513 50 10 KKGE CC(C)([C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2337091858 HXAWJGVRQRZGMC-JTQLQIEISA-N 501.437 5.263 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2358265167 MHTILAHWXYDWCL-LTJHVZACSA-N 594.761 6.596 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2ccccc2Br)c1Br 2362225986 SZIWFXGNPUWDFJ-SECBINFHSA-N 550.285 7.445 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2c(Br)cccc2Br)c1Br 2362227788 JILUFSVRZVCLKL-GFCCVEGCSA-N 570.703 7.857 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362256233 UONMNQUOLLKEBW-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE COc1ccc(CCOC2(CBr)CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 2364694952 GFALPSIGRVHRMF-UHFFFAOYSA-N 507.263 5.181 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365187939 FZSWXXHHPOVIRC-NSHDSACASA-N 533.859 6.122 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2365189831 YWVMJYKIEBGJCJ-CYBMUJFWSA-N 550.285 7.512 50 10 KKGE C=CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 2771717 MEYOTLHAJBSCRD-YKDKEXQMSA-N 517.423 6.628 50 10 KKGE CCc1cccc(CC)c1NC(=O)CS/C(Nc1ccc(C(C)C)cc1)=C(/C#N)c1nc2ccccc2s1 3224590 DAMCKTVUDMOGJO-JVCXMKTPSA-N 540.758 8.221 50 10 KKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 10683221 SVOYUAKBWYZFGT-DYESRHJHSA-N 513.432 5.500 50 10 KKGE CCCCCN1C(=O)/C(=N/NC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(C)ccc21 33959324 SXRXCFCIUYFYBE-XLVZBRSZSA-N 508.416 5.347 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 35447444 LRNCGBNHRMVFIN-ULJHMMPZSA-N 511.025 6.595 50 10 KKGE Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)[C@H](Cl)c3ccccc3)[C@@H](C)C2)cc2ccsc21 35844204 FDXNEFWQWVGSLM-NBGIEHNGSA-N 506.071 5.713 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 38651764 TVGZMGPWWVZPHO-VWLOTQADSA-N 519.395 6.065 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1 38686395 MLTFBHUFXQKWJQ-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)c(C)c2cc1C 38687161 SCNJFNBYBFUYKE-NDEPHWFRSA-N 506.602 7.093 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C)cc1 40924594 FSOOOGZMWSNKRR-MUFRIFMGSA-N 517.676 6.339 50 10 KKGE C/C(=N\NC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 58991235 XBIKTMUQCNZVTI-DFKUXCBWSA-N 505.647 5.838 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914940 GALNOPADIZCFFB-MHZLTWQESA-N 501.067 5.284 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232681 YRPQHKTTZWWRMI-WOJGMQOQSA-N 556.800 6.534 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 100235916 LEVQVYOPUFJWLG-GISVKQOSSA-N 585.451 5.128 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245689 KQSVKZRZSAKJGJ-BUPOLARFSA-N 525.674 6.582 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101293338 MSJRRNMEDWCWRC-RUZDIDTESA-N 533.378 5.460 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 101336498 ZEXOFSWAYJWCGS-CVKSISIWSA-N 564.045 6.169 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337061 MUDQJGSGPUJNDC-SECKTWPTSA-N 552.700 6.203 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 101372037 SUIDVDKYGANVOH-MUUNZHRXSA-N 533.024 6.745 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 101374455 FQZOBWSIKJRCKE-MUUNZHRXSA-N 533.024 6.745 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383313 FYINRNKJAVVAPT-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1C 101383854 FAWUBHLSEVUCFK-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386611 FHOQXPGRYNRMGX-JGCGQSQUSA-N 582.584 5.624 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1F 101389179 LWBOSNFDCJQTNV-QNGWXLTQSA-N 626.684 7.759 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396774 YESAMZCFFHTDGY-VWLOTQADSA-N 565.478 7.824 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCc1ccccc1 102462605 CKWIFVDVJKCQGD-SRZZPIQSSA-N 571.452 7.331 50 10 KKGE N#C/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cc(Br)ccc1Br 102964890 JUVHQKLWHMHCFP-YBEGLDIGSA-N 555.248 5.448 50 10 KKGE COc1cc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1I 103869071 UHRHKEIFMDCTAV-AUEPDCJTSA-N 591.652 6.224 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 104951937 RJDFUUOGOQNZDK-WQRHYEAKSA-N 597.332 7.148 50 10 KKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2Br)c(Cl)c1 118878873 YYJYCIUNSSVTQI-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE N#Cc1ccccc1COc1c(I)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 150382886 ORUWOEODZOQLRK-KGLTWBCMSA-N 665.269 5.310 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150432048 HEUBTVSJVQSDJN-SSEXGKCCSA-N 627.093 8.109 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 205779497 FXYCWSNWFSYIIE-PLFABGOGSA-N 640.721 5.618 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214386065 VDMCLHLALHGTRJ-CLYXNRFPSA-N 570.605 5.384 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1 233818994 MRDJTILSLWUXAX-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1OC 254438808 FVPIWMMIGJWVDL-UHFFFAOYSA-N 515.639 5.201 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1 254763823 HMBCWAFJPHZAKL-IBGZPJMESA-N 591.686 5.146 50 10 KKGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc2ccccc12 254876794 VAMSKFLRAJRGDK-UHFFFAOYSA-N 511.525 5.204 50 10 KKGE c1ccc(P(C[C@H]2C[C@@H](CP(c3ccccc3)c3ccccc3)[C@@H](CP(c3ccccc3)c3ccccc3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 256168061 HYAJCBCVJRLTRN-CERMYMJHSA-N 862.955 11.387 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 575416542 CNBLTHBPVHYRAS-JJELUQOQSA-N 514.911 9.597 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591383 YUZLCBDCWPRCMA-QGTBSMAUSA-N 620.771 6.056 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)cc1 616679911 HSJZRDBMNYMIBN-SANMLTNESA-N 508.760 6.613 50 10 KKGE COc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237291 CRVALWDOJLKYOK-REWPJTCUSA-N 522.976 5.892 50 10 KKGE CN1c2ccc(N(CCCl)CCOC(=O)CCC[C@H]3Nc4cc(N(CCCl)CCCl)ccc4N3C)cc2N[C@@H]1CCCC(=O)O 1083806967 GOHBGOVURSZEBR-KYJUHHDHSA-N 684.109 6.060 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083817582 QXQZQDMMTWVWDX-GFRPZHATSA-N 654.920 8.706 50 10 KKGE COc1ccc2cc(C=NNC(=O)c3ccc(CN(c4cccc(Cl)c4)S(=O)(=O)c4ccc(C)cc4)cc3)c(Cl)nc2c1 1083891197 PJSHQGPNADHYKQ-UHFFFAOYSA-N 633.557 7.018 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084021469 GAUSHTIGHXMOME-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4ccc(Br)cc4Br)c3C)sc3c2CCCC3)cc1 1084232410 NANYBXAHUFBGJC-UHFFFAOYSA-N 698.481 7.649 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084297437 UWLOEJSEJLIWQF-UHFFFAOYSA-N 521.404 6.282 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 1084310797 ZOIKPSFKNQGAQW-UHFFFAOYSA-N 716.801 6.998 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084353163 LTXPHBQCWLHLJO-KGENOOAVSA-N 662.753 6.542 50 10 KKGE O=C(NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2cc(Br)ccc2o1 1084540940 QACKZRGESRHHDL-UHFFFAOYSA-N 506.787 6.616 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2c(F)cccc2Cl)cc1 1084630922 DGXAKLBAPPXVJI-UHFFFAOYSA-N 570.473 6.600 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 1865684361 XKQPBKIFEOAIEO-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686509 WRJWVFLADWMXHJ-JOCHJYFZSA-N 521.379 6.271 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690282 NHGZQSIQQGHOPR-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865690755 AGACMIOWJBNTRP-NDEPHWFRSA-N 520.633 6.313 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865690926 FCTUWXOIJNSJKN-NRFANRHFSA-N 529.822 5.612 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694930 FXGLGUXQNFFZHE-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865696820 QZHOCMXCLRXOAQ-HHHXNRCGSA-N 500.643 6.070 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706234 QXXPPOQNISSXNR-HSZRJFAPSA-N 531.931 5.526 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](O)C[C@@H]2c2ccc(OC)c(OC)c2)n1 1868387906 BZWBNYLFLOHKHE-RBBKRZOGSA-N 505.644 5.465 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433123 FIJKULCEQRHXMQ-XMMPIXPASA-N 576.951 8.088 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872744794 IPEDYBHSPNKPNT-QXUWJFDOSA-N 501.608 5.785 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCCN1CCOCC1 1872794023 GFXAJZXMFPERBS-XQNSMLJCSA-N 517.695 6.200 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914612410 GOXTWQYRXWBGQX-LBPRGKRZSA-N 537.033 5.480 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2csc(Br)c2)c1Br 1922934234 DLUFZPAPXCMVMX-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 1923073434 WXWFLHRJBKFYOD-DNRKLUKYSA-N 505.541 7.969 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595820 FIDDUIMOKRJSRZ-VIFPVBQESA-N 605.742 7.622 50 10 KKGE C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@H]1Cl)C3=O 1933223654 TUASWIIAAPWHMO-IZVQQRHISA-N 513.845 5.836 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)s2)c1Br 2024292849 DPAHDDBXSGICBU-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE CC1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2025780853 YBWFVHOVRNIPPT-JCSINIIFSA-N 554.740 7.219 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 2030222327 QLYOTQBIDTVHIE-ZDUSSCGKSA-N 564.906 6.924 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2039360873 WRKQQMTZRDLEAE-MRTMQBJTSA-N 523.954 7.688 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23COC[C@H]2C3)c1Br 2085494420 LSFGVVUDJRYJAR-ZSCXHOBISA-N 568.723 6.209 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(I)c1 2097833110 ADFWIOAQRFKYEJ-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(Br)c1Br 2203840211 YKTQSOGELRANQY-CYBMUJFWSA-N 527.876 6.775 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CCCC[C@@H]21 2206393789 BGCHDCXKEHZNNG-QTOGRPEHSA-N 550.354 7.843 50 10 KKGE CC1(C)CCC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206394948 KTLDHBMIQCOUNS-LBPRGKRZSA-N 596.821 8.389 50 10 KKGE Clc1ccccc1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399323 FRFFIONLPUYKLY-MRVPVSSYSA-N 611.191 8.069 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206400583 DARSERKAABFEHT-LLVKDONJSA-N 659.634 7.025 50 10 KKGE Clc1cc2c(c([C@H](Br)c3ccc(Br)cc3I)c1)OCC2 2207273154 RXDSTVXZGSHLCA-CQSZACIVSA-N 528.409 6.126 50 10 KKGE COc1cc(CBr)cc(Br)c1OC[C@H]1CC1(Br)Br 2217994006 DBRBDNGELNMJNF-MRVPVSSYSA-N 507.842 5.237 50 10 KKGE Brc1ccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222448718 LYZXKHJYVHYHAN-QMMMGPOBSA-N 582.775 7.477 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 2224308620 YLKMIIOKZZKEQY-SFHVURJKSA-N 535.490 8.473 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1 2240998290 YJWISAMLFYLACJ-LBPRGKRZSA-N 519.924 6.264 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cscc2S(C)(=O)=O)c1Br 2272851383 IILJHHDMUKKXBR-VIFPVBQESA-N 509.104 5.531 50 10 KKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cccc(Br)c2)cs1 2295945879 NPRMEWLFGKJFNR-UHFFFAOYSA-N 518.314 6.674 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 2296507106 TWXNGZCVJCHIPT-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 2296647839 KIMOYNXWRBHBEA-UHFFFAOYSA-N 575.496 7.021 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 2313567308 IPKFJYFQDJNWEE-UHFFFAOYSA-N 562.497 6.565 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314491956 UCAPJUPGHXHAKO-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314500580 PCAPWLRUENMSLN-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591905 HJRBPGKIOJMYEU-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592061 LCGDGOXGVCRTNO-RUZDIDTESA-N 534.037 5.812 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617405 XRQQTSKGMBPGRW-UHFFFAOYSA-N 542.975 5.449 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C(C)=C(C#N)C2=O)cc1OC 2314617494 ZHIJJQBEBVCMAZ-AREMUKBSSA-N 705.837 5.812 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617829 BOCGTQOFEQIPGZ-DEOSSOPVSA-N 540.623 6.458 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 2314643201 HRBPUYZOOIBHOK-XIFFEERXSA-N 579.052 7.155 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)nc(C)n2C)c1Br 2315630123 MLIOKYYQGOLRPK-ZETCQYMHSA-N 521.898 5.870 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc(Br)c1O 2320487639 JHFHKYWWQYXMIV-UHFFFAOYSA-N 635.565 6.142 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235148 VZRIWIQWIPCNKW-NSHDSACASA-N 506.765 6.394 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 2331474094 DAFBTBQBJCDDNK-UHFFFAOYSA-N 519.848 7.015 50 10 KKGE O=S1(=O)CCC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362227048 ZMRDNANJSYFXHJ-SNVBAGLBSA-N 513.448 5.265 50 10 KKGE BrC[C@@H](OCc1cc(Br)cc(Br)c1)c1ccc(Br)cc1 2362236809 DFSQMKSFTNGCCZ-OAHLLOKOSA-N 527.876 6.627 50 10 KKGE CC12CC(C1)[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362901662 VNLMNUMRGAGGFU-MYFPUWLJSA-N 552.326 6.832 50 10 KKGE Brc1cc(CN2CCC[C@@H]3CC[C@H](Br)C[C@@H]32)ccc1I 2377334431 JQBAHPYURBMBJU-WWGRRREGSA-N 513.055 5.582 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 38603994 CDPQPUJWDLFIPY-CIAFOILYSA-N 513.421 6.363 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651571 HESAGUZYHAVJLO-XMMPIXPASA-N 503.396 6.184 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660868 AIMADORWFZZPMQ-SSEXGKCCSA-N 518.569 6.703 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1 38660898 INGOXFSHDBLUJS-HKBQPEDESA-N 518.569 6.298 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 38684677 LACRASIALMMNGR-GDLZYMKVSA-N 512.606 6.336 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c(OC)c1 38688464 RGAFPAXLIBDPCG-SANMLTNESA-N 510.546 5.813 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 40514527 RXYSNCNZNXXDDC-MTDXEUNCSA-N 520.633 6.171 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)cn5)c(C)c43)coc2c1 40826955 CGVHEXFUGPIJCG-ZCTHSVRISA-N 504.974 5.651 50 10 KKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 97646581 PRFLYHAVMABXJO-GMXVVIOVSA-N 505.870 6.305 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212068 QJOVDGFHPPUMBX-OAHLLOKOSA-N 552.252 5.606 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C1 101014634 QGXUDZFDRPRSBU-YMLINEMLSA-N 565.724 6.634 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101307424 WUZRHPJSKLUXHI-RUZDIDTESA-N 533.378 5.460 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCCC(C)C 101368314 KGIPNIFXLZPMPF-LJAQVGFWSA-N 574.630 5.583 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101368814 SASYFKNMEGPFJP-XMMPIXPASA-N 586.236 5.423 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 101377623 WUNUZRCKWQUKDQ-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382976 DKWBKJIILPJIHW-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1 101383874 KXFAWFYTCJHHEM-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390798 BVEXEIHLHIGTBD-VWLOTQADSA-N 565.478 7.824 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)oc2cc(Br)ccc12 101392447 JTSCBWIPNYOBFP-MHZLTWQESA-N 551.396 7.094 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 101394786 JXUHPOCGVRKLSK-PMERELPUSA-N 552.627 7.146 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 101479298 BHMJGRMKBQYHHR-UHFFFAOYSA-N 577.568 7.797 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610330 RKXDXMQMIQQQIB-KVQDIILNSA-N 540.708 5.616 50 10 KKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Br)cc1F 102777241 FDAJMXZAISUJKP-JSVDNDDVSA-N 530.265 6.250 50 10 KKGE CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 103797044 GBJQZFLHYJCXBS-FDAWAROLSA-N 560.448 5.921 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150464060 CCJLPHKCSANYKR-JGFAXXQYSA-N 646.725 5.029 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 150478095 RWQGZDJFJICYIC-WJOKGBTCSA-N 633.503 8.328 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485425 QDWQANISCBSAAB-MGBGTMOVSA-N 645.539 8.053 50 10 KKGE C[C@@](CI)(OCc1ccc(Br)cc1)c1ccccc1Br 162530365 DZTXYWGEHSTIEO-INIZCTEOSA-N 510.007 6.079 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 215685950 VVTDWWSTBCENLT-JJVTXRAWSA-N 752.933 8.437 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)cc1Br 236220066 PIVWISXFDQKDHZ-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(NC(=O)C(C)C)c1 252622865 OEJHFSJAGDHONI-UHFFFAOYSA-N 519.432 6.957 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccc(Br)cc2)n1-c1ccccc1 252628799 SYBISGQDWNIVRL-GOSISDBHSA-N 675.394 6.186 50 10 KKGE CCCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530139 HOLIBVBKAUVEFC-XJLCIADOSA-N 563.705 9.893 50 10 KKGE biogenic CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 254088382 LKHIBBPOJARUFY-RGZLSWIJSA-N 968.182 6.765 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(Sc2cccc3ncccc23)c([N+](=O)[O-])c1 254341350 DTCLFFPZAHXACD-UHFFFAOYSA-N 559.607 5.913 50 10 KKGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1 254841256 OEJRLCVFRKJJEF-DHIUTWEWSA-N 522.649 5.778 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 256018203 MSXFSWUEVMXWKQ-BTXZBWQRSA-N 581.676 8.244 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(Br)c2)C1 382699821 XISZSXNPWNADPO-AEFFLSMTSA-N 500.174 5.236 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@@H](c2cc(Br)ccc2I)C1 382713893 IUXGIJRFWIRJFW-PBHICJAKSA-N 534.619 5.645 50 10 KKGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240340 ZUTUXWMYGVBMNN-AFJUYQOFSA-N 519.849 5.524 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 1083992564 FIFZEKBGRGABCA-UHFFFAOYSA-N 511.192 5.968 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 1084207817 SWTQVXKXLADWBC-UHFFFAOYSA-N 500.382 5.287 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084254965 PQVLPIIHJYBAAF-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 1084395636 CRTSDXDTGJCYKM-PDGQHHTCSA-N 542.227 6.345 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084499359 RQQZCUUSONEYCA-LFVJCYFKSA-N 527.422 5.156 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653109 HLPOWKMHRFCKSL-VNGAGHNVSA-N 530.093 6.767 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684125 UFFRUIMOUPXUFL-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685528 JZEJNXCATMQQLI-HSZRJFAPSA-N 500.961 5.926 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865688004 GIDNACVYSBPVOL-NRFANRHFSA-N 510.903 5.984 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689200 MLQONWNQIMWXSJ-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865691663 XZTPZIKOROKXOG-NDEPHWFRSA-N 536.632 6.262 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865691698 ZCFNVRIAWJICBD-DEOSSOPVSA-N 551.485 5.970 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865693370 NPQABJLEQNOBSA-XMMPIXPASA-N 528.996 5.827 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694213 VWMZCOKCZALJDH-SANMLTNESA-N 541.449 6.303 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865695609 QQTQFVZZXLBKAR-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695911 IZSSVOIZXXJZOY-LJQANCHMSA-N 515.795 5.173 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703847 GTNIJOIDBGUFOQ-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704001 KJMDSBYFYYXHKQ-XMMPIXPASA-N 527.452 6.214 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704216 QIWMGNBYSMYUCF-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705099 MEYZSPWIZMHGFW-SANMLTNESA-N 510.569 5.751 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705582 ZOHPNODGJLHTOJ-GDLZYMKVSA-N 554.606 6.044 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708125 OQWKXUPDHKWLMA-VWLOTQADSA-N 563.441 6.149 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710580 BYAXRBGGHNRREC-JOCHJYFZSA-N 506.915 6.489 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C)c1-c1ccc(Cl)cc1 1866131947 VFARFVGHOYTQFR-GZTJUZNOSA-N 529.843 6.862 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)C[C@H]2c2ccccc21 1868455912 GZGNQBWZVMGGNL-SANMLTNESA-N 550.663 6.281 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 1872748482 ZFCVUQRABPBZLF-YJXMDDLCSA-N 505.426 8.202 50 10 KKGE O=C(c1csc(Br)c1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915755420 ADMHCZVHRJSWOX-UHFFFAOYSA-N 522.100 6.233 50 10 KKGE Brc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924593339 DVBGUSYXUXIPMN-MRVPVSSYSA-N 582.775 7.477 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccoc2)c1Br 2025782848 KRNJYUKHSUZLBA-VIFPVBQESA-N 552.680 6.814 50 10 KKGE COC1CC(CC[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2042740734 AZJUFGZDPDJQDZ-KAVNDROISA-N 525.926 6.677 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(I)c1 2083335270 RNRVYNWBOSTNCV-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(F)ccc2Br)CC1 2085377514 CYTMNWRPOMTIPU-UHFFFAOYSA-N 528.200 5.310 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(F)ccc2Br)C1 2085377566 DNBXLMBJWJKXHI-SFHVURJKSA-N 528.200 5.310 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2111086266 GYRJEESXKRGSQH-SNVBAGLBSA-N 572.769 8.088 50 10 KKGE Cl[C@H](c1scc2c1CCCC2)c1c(Br)sc(Br)c1Br 2130576600 QROQTMAMKOWKJS-JTQLQIEISA-N 505.522 7.304 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2136383547 GVHCLRZLZYEDGA-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C(C2CC2)C2CC2)c1Br 2141467780 CAUHQQVGTLIUQS-AWEZNQCLSA-N 580.778 7.609 50 10 KKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469765 WVEMMYWZWDZSCW-VIFPVBQESA-N 550.232 7.359 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2141474264 YPNGIHYAPLDGJJ-VUEFUZIDSA-N 578.762 7.075 50 10 KKGE Clc1cc(COc2cc(Br)ccc2CBr)ccc1I 2142949670 LOAXYFUAJOAYQF-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 2169464705 QVBVMIIFYMDMMM-CQSZACIVSA-N 528.409 6.126 50 10 KKGE COC1(C(F)(F)F)CC([C@H](Br)c2sc(Br)c(C)c2Br)C1 2182020243 RJYBSEOYMJFXII-WINXVSCGSA-N 501.000 6.375 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1Cl 2201619321 PQLDOKQUNFSDEH-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(C)c(I)c2)cc1C 2236007251 IQNGFPHKQLITED-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Clc1ccc([C@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236086261 WNSRKCWOUIIFPE-NRFANRHFSA-N 504.792 5.083 50 10 KKGE C[C@H](C(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2247466601 BQXRYXJINGDYHQ-NOWQDGDBSA-N 564.682 7.074 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)sc2Br)c1 2263451118 UQXBXFPBGXRWAM-SNVBAGLBSA-N 582.775 7.477 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277960303 ZKONYVKTOXLLKX-ZDUSSCGKSA-N 532.295 7.306 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278020150 KNJSULRKKHPNGV-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Br)c(Br)cc1F 2288500749 KTRHTLKAMOICNL-GFCCVEGCSA-N 507.038 5.300 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 2293163811 GIEIPUBWNBDUDN-UHFFFAOYSA-N 526.570 5.330 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 2294815165 QBQILPGPOHKOEN-QNKNCRLCSA-N 538.257 8.458 50 10 KKGE CC(=CC(C)C)[C@H](C)[C@@H]1CC[C@@H]2C(=C[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@]21C 2295157445 YRBTULYADOAUMR-ZOEBTYLBSA-N 645.017 9.831 50 10 KKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)cc1Br 2295264550 GYPKJXPDYJOYSN-INIZCTEOSA-N 525.904 7.270 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1 2297458606 KBWUJVCHEQDSKR-HSZRJFAPSA-N 597.332 6.585 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 2313518055 BJTKIRKXBDPWAU-UHFFFAOYSA-N 502.352 5.417 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 2313545890 MRBBMPCCRUHYPO-UHFFFAOYSA-N 502.014 5.573 50 10 KKGE Cc1ccc(NC(=O)Cn2cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)cc1 2313570699 DGOYKHRZIBDJSE-UHFFFAOYSA-N 503.389 6.441 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1C 2314492769 XRKMRVSQBRVYSR-IBGZPJMESA-N 500.683 7.797 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc(Br)cc2)cs1 2314572002 QJYCGSZWWBAAOQ-UHFFFAOYSA-N 518.823 8.098 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618473 OFHSACBWQPCIFI-UHFFFAOYSA-N 538.648 5.511 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4Cl)c3)C(C)=C(C#N)C2=O)cc1 2314620361 OEOSGJYJEXFPIS-UHFFFAOYSA-N 655.154 7.615 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634454 UEHGSNALDPEZTK-SSEXGKCCSA-N 508.618 6.610 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1Br 2317420387 OJCQESQBDFSENF-JTQLQIEISA-N 521.869 6.967 50 10 KKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 2328833341 ZBGNLZJBHMQHCT-NRFANRHFSA-N 504.425 5.028 50 10 KKGE N#CC(=Cc1cccc(Br)c1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329690300 REUKMALUSGGDJL-AREMUKBSSA-N 561.432 5.108 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Br)cc1 2329703130 AABBVFODOWGIRL-UHFFFAOYSA-N 555.450 6.226 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2331437684 BYCYJWXBNLZRLR-UHFFFAOYSA-N 511.594 6.188 50 10 KKGE Brc1cccc([C@@H](CI)OCc2cccc(I)c2)c1 2341611581 KREWELYMCQCDEI-OAHLLOKOSA-N 542.980 5.747 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)Cc2ccccc2Br)c1Br 2362234376 GTWLUDQDVHIMHK-JTQLQIEISA-N 505.834 7.289 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1I 2365224059 UHNUDSHWUNYNKC-CYBMUJFWSA-N 532.416 6.900 50 10 KKGE Fc1ccc(OCc2ccc(I)c(Br)c2)c(CBr)c1Cl 2377642407 RHGVGVMEXBVUEW-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccccc3n2C)c(C(=O)Nc2ccccc2)c2ccccc21 1544158 PRTBWEHHMHBKER-UHFFFAOYSA-N 562.720 7.974 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 3086945 AALBYNUFVSZOJM-IHQYTQDJSA-N 530.005 5.542 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38649904 FSZXAPMGTDVTMJ-XMMPIXPASA-N 503.942 5.983 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccn1)CCC2 40814338 QYCLGZFUJHFMMG-UZWMFBFFSA-N 514.969 6.151 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 58990437 KZCHURVTXLCGDG-ZCTHSVRISA-N 520.618 5.151 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 100061916 HOYKAZLSNDLHOH-NUGSKGIGSA-N 541.583 5.456 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2)cc1Br 100172605 RYDNECKRQQUXGN-UHFFFAOYSA-N 528.241 5.011 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)cc1 100233702 OQDVMWXLRWIPDZ-APTYXWLQSA-N 573.459 5.929 50 10 KKGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 100553292 ORSJDKWQYINCNB-OPEKNORGSA-N 535.167 5.073 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)oc12 100953271 BJQQVWVHUCGGGC-QJOMJCCJSA-N 570.609 5.638 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245341 IXMUDAWPEHKNHT-IDJUBOEBSA-N 546.490 6.439 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101295698 MRPZIXDUFLFUKM-AREMUKBSSA-N 523.372 5.761 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101336506 CENCOANAVBKBAA-AFUMVMLFSA-N 511.541 5.473 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341542 MJLXJWDRFFZUNM-DFKUXCBWSA-N 610.711 5.670 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc(OC)c1OC 101368674 QMMFFKFMJAPGEV-AREMUKBSSA-N 550.995 5.185 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101373557 XGDJBSWLYXDOPX-NDEPHWFRSA-N 579.447 5.839 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 101373965 NLQLJSQETLQIEH-SSEXGKCCSA-N 542.632 6.084 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 101374197 FUWVJLGUZOPSMZ-NDEPHWFRSA-N 534.996 5.586 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101374568 UYSIAITZISABNH-SSEXGKCCSA-N 588.657 6.117 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385093 ASJAZTVSHGXPJE-WJOKGBTCSA-N 532.596 6.328 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101388010 ZRTPBOTVQPGXCM-MGBGTMOVSA-N 546.623 6.339 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)oc2c1 101390917 ZMXKEEVHNLDGSS-HKBQPEDESA-N 542.591 7.066 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101394727 SQCSKWLBEKNNLI-SANMLTNESA-N 559.416 6.730 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Br)cc1 101727389 WEPQWBGFOQVBRK-VFLNYLIXSA-N 602.963 7.056 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1ccc(OC)cc1 102933106 BFMVBCQKQLWTMU-YVLHZVERSA-N 600.809 6.183 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 103742101 TUZLPCZVLVTCOP-GUNDDFSMSA-N 532.463 5.500 50 10 KKGE O=[N+]([O-])c1cc(SSc2cc(OCc3ccccc3)c([N+](=O)[O-])c([N+](=O)[O-])c2)cc(OCc2ccccc2)c1[N+](=O)[O-] 105415800 KWGPAXMADTXNBA-UHFFFAOYSA-N 610.582 7.277 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461167 UHARYMPLIWUHSC-LJAQVGFWSA-N 629.521 8.233 50 10 KKGE CCOc1cc(N/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O 164890107 MDHUGAXFJCJVGE-PFONDFGASA-N 504.905 5.136 50 10 KKGE C[Si](C)(C)O[C@@H](c1ccccc1)[C@@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195804180 OMZBKJRJXBECQK-MPQUPPDSSA-N 566.781 8.576 50 10 KKGE COc1cc(/C=C/[C@H](O)C[C@@H](O)/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C 206566860 UXOOAVJYBUPJAX-ICMBBVFJSA-N 600.945 8.310 50 10 KKGE in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)CCCC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 221102503 CTECQHMOPOFQJP-SMEBBRMHSA-N 799.190 13.846 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cccc3ccccc23)c1 232482840 GEEPNCWJXIIYGI-KRWDZBQOSA-N 501.987 6.691 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c3ccccc3cc3ccccc23)c1 254381519 OUSKKVCQNXXDRR-UHFFFAOYSA-N 500.558 5.643 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C)cc2)cc1 254392003 JARIZNUMWQIRKD-BPUGRYJXSA-N 528.594 5.067 50 10 KKGE CC(=NNC(=O)c1csc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254482748 ZHZHWYQZNSSONW-UHFFFAOYSA-N 505.415 5.827 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 254546338 RLCNGZAVISYBBC-OQBWFCSXSA-N 554.676 6.356 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254845636 NZHNGCGSTAEGCT-UHFFFAOYSA-N 566.610 5.833 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)n3)CC[C@@]1(C)C(=O)[C@@H]2Br 256018944 BHPXNFZMYXKFNV-FFFFCZNISA-N 623.386 5.276 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C)[C@@H]2Br 256019939 MXZBYHNXKPRTPT-OVOCDFLYSA-N 644.444 8.344 50 10 KKGE CCc1cc(C)sc1[C@@H](Br)c1cc(I)ccc1Br 310777286 ATDQFPROFGMEQW-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 575232627 YGXDKYAIMAMUAT-NANWKLRLSA-N 920.311 7.460 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)s1 688149509 XGHBCXCSZMGUTR-LBPRGKRZSA-N 516.036 6.054 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 725325591 VUTHQYZFBBMHHX-NFYRADJZSA-N 608.518 5.590 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1083864708 WBMPOILDXXLQPO-UHFFFAOYSA-N 512.454 5.880 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c1C 1084091176 NZDXJHFUHVNTBS-UHFFFAOYSA-N 560.561 7.671 50 10 KKGE Cc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084182416 CXIZFAWUDNHDLZ-UHFFFAOYSA-N 633.941 6.028 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084215999 DDJWOJWQUNVPGZ-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084267659 OOQGFTSIYURUCW-UHFFFAOYSA-N 554.672 5.291 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)Cc2ccccc2)cc1 1084430085 IHLJTLHIDGXYNW-UHFFFAOYSA-N 542.705 5.361 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 1084433004 JUUAJHIYEHMUBX-QHCPKHFHSA-N 592.861 5.886 50 10 KKGE O=S(=O)(/N=C1\C(Cl)=C(Cl)/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)[C@@H]1Cl)c1ccc(Cl)cc1 1615831906 OHZOCVNOBKUPHP-GPXYVMIGSA-N 629.585 6.437 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749173 XUAVYRLIOSECCC-UHFFFAOYSA-N 559.420 5.049 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c(OC)c1 1772751592 GPHLCADUYLEWEP-UHFFFAOYSA-N 529.593 5.620 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCc6ccccc6C5)c(C)c43)coc2c1C 1772752069 TVNNPISCXJPLPU-UHFFFAOYSA-N 509.606 5.549 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1848433577 MDCOYASBAZJWKP-UOQRFBKSSA-N 935.155 9.826 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865688977 GMEZQVMELWFUTI-XMMPIXPASA-N 513.425 5.960 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689003 HHQCQIPXCHNXGR-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691701 ZDMGENYPLXHTSU-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865693262 TYHKCJGWPIFVFI-DEOSSOPVSA-N 555.448 5.937 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693295 UJCMGPMAVYCECZ-RUZDIDTESA-N 559.022 5.504 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865707129 OPVCCGRFAGAIAK-MHZLTWQESA-N 557.620 6.812 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711083 PGHRLKAYQROZDN-OAQYLSRUSA-N 537.339 6.539 50 10 KKGE CC/C(=C\C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866684734 STXCZXLJPPSWQV-CIEQNIFPSA-N 501.608 5.134 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866872820 NLNOXDWGKIOTCC-RPBOFIJWSA-N 547.681 5.103 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)n1 1868301569 TXIVXTDFRUPFFL-RUZDIDTESA-N 531.607 8.129 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)cc1 1872746014 NSOPMPYGDWPHGI-JZJYNLBNSA-N 505.821 6.886 50 10 KKGE Cl[C@@H](c1csc(I)c1)c1c(Br)sc(Br)c1Br 1924579565 HGLAGGUGDOECPU-ZETCQYMHSA-N 577.326 7.030 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1 2024279662 QILANEKICJEIDI-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cccs2)c1Br 2025780744 WWEUJCMRCIHFIS-LLVKDONJSA-N 568.748 7.282 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 2053615090 XTRKNZZOGIPYDE-UHFFFAOYSA-N 572.184 5.457 50 10 KKGE CC1(C)CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493788 HCAQASILQUGLIK-GFCCVEGCSA-N 524.316 7.453 50 10 KKGE Brc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2085495306 PTVXGNPGEPRKEW-LLVKDONJSA-N 647.644 8.045 50 10 KKGE CC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 2184814789 PYMRWNYCUUJIIV-SECBINFHSA-N 553.886 7.632 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2202904919 YMSUKYPIIRHGTA-CQSZACIVSA-N 531.839 6.606 50 10 KKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1 2217402687 YVHHSCJOSQEPQZ-IBGZPJMESA-N 500.218 5.662 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(F)cccc1I 2247982462 VSHLNPHSGLWVAD-QGZVFWFLSA-N 504.181 5.492 50 10 KKGE CCc1cc([C@H](Br)c2ccc(Br)cc2Br)sc1Br 2256060535 XGKVFDNHNDHWHQ-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1csc2c(Br)cccc12 2264607504 MZVNHLWBQMVIRS-JTQLQIEISA-N 501.490 7.626 50 10 KKGE Clc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278096790 OSGWZDUSOSGDHO-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE COc1cc([C@H](Br)c2ccc(OC)c(I)c2)ccc1Br 2284995972 FMQKBPJIVIHIPX-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Cn1nc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1Cl 2288357845 UOBUVODYGASZCS-QMMMGPOBSA-N 513.789 5.967 50 10 KKGE COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(C#N)=Cc4ccccc4)ccc3c2=O)cc1 2293189909 VORKQXNNDDVXBV-UHFFFAOYSA-N 507.420 6.125 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521316 GAMFRSWCHSISPJ-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1 2313571273 REKUXXIQJRSHGO-UHFFFAOYSA-N 542.260 7.609 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)cc1 2314478960 YSZLQTPPZDPMDL-UHFFFAOYSA-N 524.649 8.101 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(I)cc3)cs2)ccc1OCC(=O)Nc1nccs1 2314487150 CTJSJZTWRMGOFH-UHFFFAOYSA-N 600.463 5.961 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593944 WGMUGUOQGRBKBA-HRFSGMKKSA-N 511.647 5.561 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314594148 ZSZZAIOWNBPZFV-DEOSSOPVSA-N 532.463 6.076 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 2314616809 KEHLEANVTZSGEB-UHFFFAOYSA-N 574.637 5.400 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314619732 DJBRBGWJOVYGCW-UHFFFAOYSA-N 514.528 5.735 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 2314785089 DSVJUCHLGSKAKI-UHFFFAOYSA-N 513.432 5.554 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnsc2Br)c(C)c1Br 2315620776 ZAPCCWXYMCOSGA-NSHDSACASA-N 518.894 6.532 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)ccc1F 2331320411 LBBNBVYFIXOKDN-UHFFFAOYSA-N 502.998 7.996 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)c(Cl)cc4OC)cs3)cc2C1=O 2331390630 VGISXURXPPOXQQ-CQSZACIVSA-N 507.999 6.125 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2c(OCc3ccccc3)ccc3ccccc23)n1 2331491900 VNNYABZSAIGHAU-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE BrCc1c(Br)cccc1OCc1cc(Br)cc(Br)c1 2337069984 XFEXIIDPRHYVKU-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE COc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 2338830643 DBGGVEMOXVGFKX-SNVBAGLBSA-N 533.905 6.723 50 10 KKGE Cc1ccc([C@@H](CI)OCc2ccc(Cl)cc2I)cc1 2365646257 XDWHQOVZQVFRNI-MRXNPFEDSA-N 512.556 5.946 50 10 KKGE ClC[C@H](Cc1ccc(I)c(Br)c1)Cc1ccccc1Br 2377331097 UIEJZZPGPXJUOK-GFCCVEGCSA-N 528.453 6.456 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 38605604 KGKGEMLMUHLURW-JFLMPSFJSA-N 508.622 5.883 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38653551 XWHSNWLCQWCCBY-HSZRJFAPSA-N 512.305 5.104 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 38686104 RFLWLFDAGWYNFK-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813078 NCDLBHPAKIDHQE-YZSQISJMSA-N 502.310 5.493 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(Cl)ccc5C)c(C)c43)coc2c1 40826906 CFLZNSARPZHCPX-RUMWWMSVSA-N 518.013 6.564 50 10 KKGE Cc1ccccc1COc1cccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c1 40924929 BRCBKSRCCTUINB-CCVNUDIWSA-N 508.068 6.593 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 40959390 IKNBHDCGKWGPHK-OVVQPSECSA-N 505.453 5.898 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061521 NZLUTWCROVYVHS-NSHDSACASA-N 591.083 5.665 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100189024 ZPDPIGSCHOHVDW-UHFFFAOYSA-N 526.456 5.244 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 101337029 WCLVQLBAKAGDQK-LYAXJZIPSA-N 550.659 5.798 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101337945 BQVCEOILWNHSBF-RUDKWAFVSA-N 517.412 6.926 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101339452 QQAOBMFLUBHYLY-FDAWAROLSA-N 570.693 6.983 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367494 PEZWLOOWGBYHQE-XIFFEERXSA-N 576.649 6.890 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 101372199 ZXCIDLRZZAPHFA-HKBQPEDESA-N 556.659 6.474 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCCC(C)C 101375053 GMURQHSXGXYBIW-HKBQPEDESA-N 556.659 6.735 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379594 RECDEFAHCSJEQB-HKBQPEDESA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380587 MJDVXKOMBPGZND-NDEPHWFRSA-N 571.948 6.404 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101385442 RRLWPFXAHXIYAZ-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)oc2cc(Br)ccc12 101391539 LPPUDDHHEJEVLK-QHCPKHFHSA-N 580.232 6.704 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)CC1 101393657 KBURBEUMZNVLHQ-ZZHSESOFSA-N 539.470 6.578 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1F 101399387 DZSWRMFMVMQYGE-LJAQVGFWSA-N 613.066 7.719 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613734 UBFWIARNSBIMIG-FEZSWGLMSA-N 541.007 5.454 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1)C(=O)Nc1ccccc1 101893020 QNAYHCCFOUCSBW-PLRJNAJWSA-N 545.477 7.500 50 10 KKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C)cc1 103728224 SRROTFJWBULKJB-FLUNURKVSA-N 550.726 7.307 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789371 WYJLORIABLKXJO-PXLXIMEGSA-N 581.308 6.046 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(C)cc1 103878284 MRMHQTCOUNNFPQ-OKCVXOCRSA-N 533.422 6.584 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cc(Br)cc2F)cc1Br 128771110 DDAWWYXTWFZTDN-AWEZNQCLSA-N 533.830 7.045 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc2ccccc12 150402021 HNZHRWFXVRZKIL-OAQYLSRUSA-N 620.703 8.309 50 10 KKGE CCOc1cc(CNNC(=O)CCCCCCCCC(=O)NNCc2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 150442494 YBVWICVRZPSTJH-UHFFFAOYSA-N 688.458 5.483 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214314532 HSZFTCTVIREAAV-CEUNXORHSA-N 607.692 5.099 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214407569 KOMFPJAFPJVYBR-RHANQZHGSA-N 560.629 6.567 50 10 KKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(Br)ccc1I 236029530 JKWSJTUUZCNPBP-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE Fc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(I)c1 236221040 MPCPEYVIIWAUDZ-AWEZNQCLSA-N 526.006 6.892 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 252608111 HGNLNMFLYRPSHC-UHFFFAOYSA-N 601.885 5.224 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254385051 DQYWZJLNHAYQID-UHFFFAOYSA-N 581.754 6.581 50 10 KKGE C=CCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254501286 PZVAGTOWVYNEOH-UHFFFAOYSA-N 510.546 5.405 50 10 KKGE CC(=O)N(N=Cc1ccc(C(F)(F)F)cc1)C1=NN(C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)S1 254507629 CCGKKMCJPMWFDB-GOSISDBHSA-N 502.440 5.472 50 10 KKGE CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NN=Cc1ccc(OC)c(COc2ccc(F)cc2F)c1 254528581 QEFJLBADZGMNRR-UHFFFAOYSA-N 641.598 5.526 50 10 KKGE COc1ccc(CC(=O)NN=Cc2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=NNC(=O)Cc6ccc(OC)c(OC)c6)c5c4O)c(O)c23)cc1OC 254532156 UXUMSLVRVFZOBO-UHFFFAOYSA-N 902.998 8.177 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2OC)cc1 254843772 ONAKEQQSCJACRS-UHFFFAOYSA-N 539.632 6.265 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254874590 MTFZFOYKCHZBEG-BRKFHXITSA-N 557.544 5.278 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019873 JRRBQCDTNGTMBI-QXBDPQDFSA-N 986.114 11.219 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C 504823466 XFDOVQPSOPEMRW-WAOAYXDSSA-N 520.871 7.596 50 10 KKGE CCC1(CC)c2cc(-c3ccc(/C=C(/C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21 606303272 OSKDEENVIKVJFO-FAJYDZGRSA-N 616.786 11.116 50 10 KKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(I)c(F)cc21 702787529 IXKSPUNARQASFB-HXUWFJFHSA-N 502.755 5.141 50 10 KKGE C/C(=C/c1csc(C)n1)[C@@H](O)C/C=C(\C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 725407268 IDHLZOWJDYQQSB-FRIREFBCSA-N 738.237 10.845 50 10 KKGE O=C(N[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 888086001 RNCKSVHRHGEVDE-SXOMAYOGSA-N 565.453 5.925 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1083992581 MSEYIJNTDBGTFT-UHFFFAOYSA-N 524.627 6.798 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 1084433172 LIKCSGRFHNYWSH-UHFFFAOYSA-N 557.434 5.222 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653130 KYCMHZVOOAEAJL-VNGAGHNVSA-N 563.645 7.132 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747327 GHLAKRVNSVJHCN-UHFFFAOYSA-N 525.219 6.924 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)c1 1772754922 ZRLABUBTHWQILO-UHFFFAOYSA-N 508.068 6.593 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685002 BWYJUMFZRIAKBX-JOCHJYFZSA-N 503.389 6.381 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865687377 PYQZUVOMDLZJCL-XMMPIXPASA-N 532.522 6.005 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700702 BMHNLZNSYQVCAN-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703038 LJNLIRZHMQOXRI-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704296 SAIFSJMRDJKEGL-PMERELPUSA-N 512.613 6.694 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865704775 DKIIPUAAVDSLMM-SANMLTNESA-N 526.980 5.339 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705717 CWDVBOFIZFNLBS-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707190 QGFCBFNALJKAOJ-DEOSSOPVSA-N 559.420 5.546 50 10 KKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1c(Br)cc(Br)cc1Br 1866128960 UZTIGAVUJCELBU-BJMVGYQFSA-N 563.869 6.282 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867026078 IFCJATXKEXSNAB-WJOKGBTCSA-N 579.722 6.675 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4nc5c(s4)CCCC5)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868457033 XMEUTHIZKUXWCR-UHFFFAOYSA-N 542.709 7.319 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)nc(-c3cccnc3)n2)cc1 1868565929 QGRQETZSTDLRMH-UHFFFAOYSA-N 522.594 5.029 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 1872729406 IDXJCHRIIDXYPZ-MHWRWJLKSA-N 504.167 7.307 50 10 KKGE CCn1cc([C@H](Br)c2sc(Br)cc2Br)nc1Br 1922885620 IKSYOXPPRDPSNO-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Br 1922939515 HZMBDVXZJGWYJV-NSHDSACASA-N 503.879 6.828 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924590384 IZFAWRGRXVYLMO-SSDOTTSWSA-N 525.832 6.798 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)cc1F 1924600382 QPJKYQSZCZAHHC-SECBINFHSA-N 539.859 7.107 50 10 KKGE CC(C)CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924601323 WYEBKPASXMYWQD-LLVKDONJSA-N 537.981 8.078 50 10 KKGE COC[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616347 NWWULXGFGRFCHA-GZMMTYOYSA-N 527.898 5.667 50 10 KKGE Brc1cc([C@@H](Br)c2cccc(Br)c2Br)sc1Br 1943903288 NBYWEPBTBBXUAY-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cccc(Br)c1Br 1950216021 WYUYKWQHGXBHBK-NSHDSACASA-N 503.879 6.828 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2002140755 UQEFIKOLKCXZMG-JVZYCSMKSA-N 507.911 6.908 50 10 KKGE CCC[C@@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780064 OMRYVOTZBBUOMZ-LHLIQPBNSA-N 556.756 7.609 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)s1 2029233521 UHZNUVRCVRSPKT-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE CC(C)(C)C(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 2034339788 RYKXHLWJTKSGNX-JTQLQIEISA-N 552.870 5.737 50 10 KKGE C[C@@H]1CO[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493599 DPQMBARWNLMXMP-WNBSSGNCSA-N 570.739 6.598 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)c1Cl 2086139655 RNCGCMHKFVYEBI-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE C[C@@H]1C[C@@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469248 TZKJPZGOKVFLQA-MATHAZKKSA-N 540.315 6.832 50 10 KKGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471631 UMDVWYJHEBGDMF-WQAUNQLMSA-N 586.738 5.977 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141475099 JACAWRXYZSQFBZ-OLZOCXBDSA-N 584.766 7.132 50 10 KKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206407417 CGJAUFDLYFXTBZ-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE CC1(C)C[C@@H](Br)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216417875 GXISJJABHACDRE-BQBZGAKWSA-N 509.927 7.093 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(Cl)c1Cl 2224306773 HOMIVPDXWQKKKS-SFHVURJKSA-N 535.490 8.473 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23COCC(C2)C3)c1Br 2250942133 KSOQBNRDOASABF-GBZMYTLWSA-N 509.883 5.898 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2257532049 KBAUJFRPXLIYMZ-OKMMGKLZSA-N 501.487 5.139 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2283581032 XRYGXTZXFKZVMX-CQSZACIVSA-N 506.392 6.697 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 2294187343 BTMBQSKEXIYESY-UHFFFAOYSA-N 551.470 6.932 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 2296033215 NURDQTUOLJCPMN-UHFFFAOYSA-N 506.657 5.006 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C(=O)OC)c1C 2296789915 BICVFLJYNLXXRY-UHFFFAOYSA-N 535.691 7.168 50 10 KKGE CCOC(=O)c1c(N)sc(C(C)=NNC(=O)CCCCCCCCC(=O)NN=C(C)c2sc(N)c(C(=O)OCC)c2C)c1C 2297321570 HEGVLMISBCSUMK-UHFFFAOYSA-N 648.852 5.446 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)cc1 2297507709 CXJWTMYFXGMDGB-UHFFFAOYSA-N 520.916 5.981 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C)cc1 2313567543 LHWMAVQFIFHCAS-UHFFFAOYSA-N 516.041 5.882 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 2313568753 WTPOEBQUTRKSBE-UHFFFAOYSA-N 607.673 7.140 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1 2313667577 QOIVEEOKVGEKKY-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592590 YGTDAKQRDIEVIR-VWLOTQADSA-N 502.039 6.330 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 2314617344 WLYOTCIJIJVVHQ-UHFFFAOYSA-N 572.621 5.768 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314620153 KRCGEHMLTGGSCJ-UHFFFAOYSA-N 638.699 7.101 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646998 YNGHWILXGVZJSA-NDEPHWFRSA-N 634.783 5.958 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1Br 2314737200 RBAYAMWMXKTGJL-UHFFFAOYSA-N 547.405 5.308 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C)c1-c1ccc(C)c(C)c1 2329699319 BTHXZRUMPKJYDN-UHFFFAOYSA-N 509.425 6.435 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1OC 2331393896 GDIMNKQAZWUUSH-UHFFFAOYSA-N 511.441 7.021 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331411071 KHADJFNGYTVAQY-PEBXRYMYSA-N 507.999 5.976 50 10 KKGE Cn1ncc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337080845 NINRXHPBIHJRLV-QMMMGPOBSA-N 540.250 5.984 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2csc(Br)c2Br)c1Br 2337086374 KZSJYCOCQDZNQB-VIFPVBQESA-N 576.732 7.919 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1cc(I)ccc1Br)C[C@H]2Br 2367601676 LSCOGTBFKPOFLB-HGGPSHQYSA-N 514.039 5.913 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Br)cc1 34897883 ZVHAJPVXJBKIDK-QGOAFFKASA-N 508.328 5.491 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 38606810 HYMNWYUWXJUULT-WGOQTCKBSA-N 504.546 5.323 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38700421 GCFOXGZIDMSPBB-URLMMPGGSA-N 518.525 5.442 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3F)CCC4)ccc21 40812342 KFDZKCIRALLXGC-JGRMKTMXSA-N 522.580 6.578 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914989 CDTWPEMQGWQFDK-HHHXNRCGSA-N 535.512 6.285 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100173296 VJXJABRBPJARQZ-AWEZNQCLSA-N 591.355 5.818 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br 100272728 BSUWJNFKZWATCQ-SFHVURJKSA-N 550.519 5.128 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 100452362 BOBCVVIEKSQYPI-HWSJQMDSSA-N 545.817 5.374 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C)[C@@H]2Br 100935736 UQRIKZUEUWQUAI-CDMYFEKCSA-N 568.346 6.677 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 101338958 XOBRRYMALPCVNM-PCLIKHOPSA-N 541.051 6.516 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(Br)c1 101363453 FVLUPJSUIOJUBJ-OAQYLSRUSA-N 526.184 5.649 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383721 HOIKZCSYFFCPLQ-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384033 OHLXEAOQONVYTO-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385485 IZRUBHBAWFFDSZ-UUWRZZSWSA-N 590.676 7.199 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387678 DDFWDGSMPFKKFT-XIFFEERXSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101387860 JJJIRWDHDBMNRQ-DIPNUNPCSA-N 596.683 7.492 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2c1 101397715 AYNRSHOLSOOEJH-HKBQPEDESA-N 577.036 7.719 50 10 KKGE COc1cc(/C=C2/S/C(=N\c3ccc(SC#N)cc3)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 101602202 CDKGCDUCBZHUJL-YDZHTSKRSA-N 609.527 6.248 50 10 KKGE N#C/C(=C/c1ccc(OC/C=C/c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102327701 RAQDXTHIOMYXBG-JATJJTMXSA-N 542.642 5.582 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 102458728 OYBXIVBAXLODAN-OGCOBRASSA-N 522.457 6.621 50 10 KKGE O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2cc(Br)ccc2o1 103879934 AXOAFDBAQHDUGP-XKJRVUDJSA-N 541.232 7.269 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)O 103880543 VBLAIUDKWHTDQV-KBVAKVRCSA-N 576.447 5.841 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1 103881080 QYJJNAGMFGCTOJ-HPNXWYHWSA-N 547.630 7.333 50 10 KKGE CCOC(=O)N1N=C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)CC1(c1ccccc1)c1ccccc1 105322876 VVUOZGIFIMEZMR-UHFFFAOYSA-N 556.646 6.832 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@@H]2[C@@H](c2ccccc2)N(C)C)cc1C 106804718 NDWMODCXTKDGOC-FRXPANAUSA-N 503.667 6.842 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 108507143 ASJGDYYXGBLEPA-MHWRWJLKSA-N 600.325 5.844 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 150422796 FIVSUKLQTMYRML-HHHXNRCGSA-N 658.003 9.122 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150427144 RQYDCKNRPDZJAZ-UHFFFAOYSA-N 637.122 5.886 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433803 JOBGMRQQDVRCGS-XIFFEERXSA-N 669.561 9.080 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463249 FXWDFZQUKOKKDL-MGBGTMOVSA-N 655.534 8.690 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 150474318 QOJMOEQGDQNUMI-QGZVFWFLSA-N 639.533 8.463 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205671181 XYVBYMKCYOEPJB-WSRWFZTPSA-N 576.624 6.949 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 206541222 AMUJPOFFFHCAKP-FELXSTKCSA-N 594.664 6.764 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214364025 OOKWKFLRWCKAQP-XIAMHYJPSA-N 518.617 5.788 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 214392886 ULUPFDNCWMNFAA-QRQIAZFYSA-N 576.628 6.268 50 10 KKGE Cc1cc([C@H](Cl)c2cc(I)ccc2Br)sc1Br 235882438 LSQZLXLLLVDUFR-LLVKDONJSA-N 506.428 6.514 50 10 KKGE CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3cc(OC)ccc3c2)cc1 252630113 UUXNLGPMLNJEBK-ARTDTZPOSA-N 507.590 5.558 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 253530192 MYCARRQNTBVVPF-PDGOGYCMSA-N 521.295 9.920 50 10 KKGE biogenic O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)/C(=C\c4ccccc4)NC(=O)c4ccccc4)nc3c2n1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 254704654 OMXMYKQQAJTHGN-YXXMJTGISA-N 762.830 6.625 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 254822000 WAQBPGBWNSKOBM-UHFFFAOYSA-N 531.685 6.851 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 256020006 RBPJAEZCCFVBGI-XGFFMVSESA-N 630.462 5.097 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cccc(Br)c1 256028326 FRUAAMMNROJRGU-UHFFFAOYSA-N 583.533 6.188 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2CO[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)C2 256444325 RYABJKPQYNQPOE-PUNLKDRVSA-N 548.837 6.828 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Cl)ccc2I)c1Br 312255986 KBYGTYVRIIXILP-JTQLQIEISA-N 515.947 7.116 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O 616575613 FIAYIYKWRBIBQG-XEABKJGNSA-N 634.601 6.657 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)c(C)c1Br 719577349 IGUWUUZTMVROFB-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Fc1ccc([C@@H](Br)c2cccc(F)c2I)c(F)c1Br 721720657 WQMACOGIKFTGJS-SNVBAGLBSA-N 505.897 5.955 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 725445590 CHCRTIFSJDJVGM-UHFFFAOYSA-N 581.094 5.110 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1OC(=O)C(C)(C)C 1083816847 YXADDVIQROVGOJ-MFKCLSPESA-N 630.892 6.196 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1083920307 LZMJVIBKEOESCN-NDEPHWFRSA-N 714.384 8.326 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N 1083963644 QMOLUFORDSWASN-UHFFFAOYSA-N 521.165 5.023 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 1084031458 SJQCUNGQOAUQOR-AREMUKBSSA-N 502.998 6.045 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084051840 XHVPGVPZRCNOSM-KMOWTAILSA-N 618.589 5.870 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)S(=O)(=O)c1ccccc1 1084180259 ZMYCBMSODZIRIJ-UHFFFAOYSA-N 652.987 8.375 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084239636 SKDUSTUQOPVVNX-JOCHJYFZSA-N 521.828 6.198 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1ccccc1 1084316378 RXRQTGMVXDTEEW-UHFFFAOYSA-N 510.659 6.862 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1 1084540380 WIEDLQFPRFXDDV-UHFFFAOYSA-N 579.700 8.348 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1084540845 HAFSMSJLPBYKQG-DEOSSOPVSA-N 570.300 7.242 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 1084599946 RVMLSHFMPKYZAX-MHZLTWQESA-N 502.611 5.365 50 10 KKGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)o2)cc1Cl 1084605731 PFULTKPXWUWPPZ-UHFFFAOYSA-N 501.720 5.659 50 10 KKGE C=CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718901 VNGHOOJOEUQFGG-BNBHZALYSA-N 522.841 5.772 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 1772724884 ASGXYCNJCJOCOA-UHFFFAOYSA-N 504.040 6.045 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743951 MBEPUZDVWLGVAZ-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(-c5ccccc5)cc3)CCC4)c2n1 1772747845 SCPKLXVTVJELQM-UHFFFAOYSA-N 529.596 6.801 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4cccnc4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 1776010670 GXKRPLQWYWDFQN-VZNYXZBPSA-N 618.822 7.805 50 10 KKGE CN(C(=O)OC(C)(C)C)S(=O)(=O)Cc1ccc2c(c1)c(CBr)cn2C(=O)OC(C)(C)C 1848432907 RHRTYCIFEUMRSP-UHFFFAOYSA-N 517.442 5.016 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1Cl 1865685538 JVPMIAXKIMFKQH-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865688172 LZJPYPSWNJWOEG-AREMUKBSSA-N 578.566 6.594 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690331 OTDXPXRSLWTPAY-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865692156 JMGGSOXVSAKPCJ-QFIPXVFZSA-N 537.458 6.128 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865695039 IEDXWQJLFHRCGZ-VWLOTQADSA-N 507.034 6.274 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695059 INCQPDOPUQGQFR-SANMLTNESA-N 500.961 5.830 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865695116 KIWKYFQHGJBPJT-RUZDIDTESA-N 564.539 6.204 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695642 QZDNQHWCULQVEU-MHZLTWQESA-N 511.025 6.334 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(Br)c2O)cc1 1865701320 SFHDKUMWRWOBAR-HNNXBMFYSA-N 570.163 5.648 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703927 IURYBBOGLQVAHC-YTTGMZPUSA-N 546.630 7.490 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704072 MDGAOVLXVBHRIU-HHHXNRCGSA-N 561.469 6.856 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704227 QQUXQPAQQFFLOL-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704347 TWNMYNKXOXIHCA-SANMLTNESA-N 512.997 5.894 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704938 ILVMCRCBSKPDPN-HHHXNRCGSA-N 506.606 5.939 50 10 KKGE Cc1cc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1-c1ccc(Br)cc1 1866850898 SKEJFPLFLLYGGW-XMMPIXPASA-N 546.450 5.626 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)n2)cc1 1868527937 KQAZPTQIBPMHSB-MHZLTWQESA-N 566.662 5.944 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1C 1868564489 BOJUFXNPUVDCJO-XMMPIXPASA-N 522.634 6.024 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(Cl)c3)nc(O)c2cc1OC 1872727668 RHSIKXNCACWYEA-WOJGMQOQSA-N 503.942 5.658 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 1872747362 ZFCUMXJUDCEFEE-XAXNVBFGSA-N 507.571 5.519 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872749204 GVROUANYFYNMGX-PAEYTKSYSA-N 503.580 5.231 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)cc2C1=O 1872750956 OFAULYJLODVJEK-GYHWCHFESA-N 501.608 5.690 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915298571 VDMNSHVIAPRHQH-QGZVFWFLSA-N 502.190 5.059 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)Cc1ccccc1I 1923065527 DMNJKMPKJRVZEI-SSDOTTSWSA-N 585.324 7.210 50 10 KKGE CC(C)(C)C1CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924600011 ANSVOOFYOKQMFA-NWGYLPEXSA-N 552.008 8.324 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924601307 WTCCOLBCAMTVSP-VIFPVBQESA-N 617.220 8.244 50 10 KKGE CC(C)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048884 VERWUVXKXMOBDE-LURJTMIESA-N 542.729 7.219 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)sn2)cc1Br 2007645047 PGMZPCZQGVOEFB-NSHDSACASA-N 551.867 6.065 50 10 KKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2047871401 FEOMOHKDIZJILG-XINAWCOVSA-N 533.852 6.143 50 10 KKGE CC(C)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496938 YTPSIWMRLZWLHB-LEAAEXRXSA-N 524.316 7.309 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2141474259 YPNGIHYAPLDGJJ-KNYLPSAMSA-N 578.762 7.075 50 10 KKGE CC12COC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141475304 LNFSIVROAKCVGL-PNESKVBLSA-N 582.750 6.742 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(F)c1Cl 2201611016 MCDBGFBUWBCNCF-LLVKDONJSA-N 509.797 7.234 50 10 KKGE Brc1sc(C[C@@H](Br)c2cccs2)c(Br)c1Br 2212199649 DZOLRWVTTKKUNF-RXMQYKEDSA-N 509.908 6.776 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 2272856375 WFLTYRWIAWATSO-IBGZPJMESA-N 502.580 7.397 50 10 KKGE COc1ccc([C@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1Cl 2283552128 LICMQTMZLXJERU-QMMMGPOBSA-N 507.835 5.745 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(OC)c(I)c2)cc1Br 2285015381 WOHIYMHLRDEWDQ-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](C=C[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)CCc1ccccc1 2293823895 JKHADYMACPRLAF-JRHULHRVSA-N 596.840 8.410 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2296056436 IAFXDIYWFBBNCK-RUZDIDTESA-N 502.039 6.330 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1 2296707886 VKCVASDPFGTCPO-UHFFFAOYSA-N 504.590 6.357 50 10 KKGE Cn1ncc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1I 2299500817 JAIVKMYLFVVKPF-KRWDZBQOSA-N 517.592 5.694 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)c(C)c2)o1 2313553173 OSXXDFZWOYACTM-UHFFFAOYSA-N 514.217 6.888 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314451923 ISRQJUVOZZRQON-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc(I)cc2)cs1 2314488839 PKSJRWOEEXNAIB-UHFFFAOYSA-N 531.378 7.287 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593434 MXLHXIRGDYJAJN-AVRWGWEMSA-N 551.590 6.018 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593492 NUZHPPYVMCKKHY-AREMUKBSSA-N 584.063 7.225 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314609989 BLQRZZQGKDPJAS-UHFFFAOYSA-N 611.768 5.886 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617272 VCMKFWRMMBLSJG-UHFFFAOYSA-N 556.666 6.553 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2317773803 NHPZLNHMGFSFHC-ZDUSSCGKSA-N 520.455 6.815 50 10 KKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 2328833320 SMBAMQZLPMXAQD-NRFANRHFSA-N 504.425 5.028 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5Cl)cs4)cc3C2=O)c(C)c1 2331265945 MXPDMKNZSJIFRN-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1 2331345240 AITVDUZWUFYMDE-UHFFFAOYSA-N 520.698 9.193 50 10 KKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 2338027112 UFVJAEODEXWNBC-CQSZACIVSA-N 534.482 7.158 50 10 KKGE Cc1ccc(CBr)c(OCc2ccc(I)c(Br)c2)c1Br 2380664778 RBLRHQIQTPRBLU-UHFFFAOYSA-N 574.876 6.599 50 10 KKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 10683706 DHSFQBIPPWJFIN-UWJYYQICSA-N 505.453 5.470 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739732 MWCRQUKKABOSIE-ZDDKYUFNSA-N 502.039 5.434 50 10 KKGE Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)CN(CCc1ccccc1)C(=O)C(C)(C)CCl 35701620 HYNRWAWNQIXBKO-UHFFFAOYSA-N 509.094 5.753 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38660137 WQVJJLPVDVAEJP-LJAQVGFWSA-N 528.605 5.694 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 38685527 INRHTPYSCSEZPW-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 38687266 CXPYPSYCCQYHFM-VWLOTQADSA-N 500.938 6.149 50 10 KKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1Br 40912175 HDPGGMGGGZGYQS-STBIYBPSSA-N 503.396 6.197 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(C(C)(C)C)c(Br)c3)cc2)c1 100083298 NOXJCOKCNOOWNG-UHFFFAOYSA-N 567.509 5.257 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100173294 VJXJABRBPJARQZ-CQSZACIVSA-N 591.355 5.818 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335425 OKJHNTGOXYAMGY-RGVLZGJSSA-N 536.382 6.107 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 100883464 HKPBOSDXIYHTTG-XHPQRKPJSA-N 545.042 7.626 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241021 RTYLPWFXEYHZEG-SJCFVWOQSA-N 549.618 6.571 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 101334968 MCRQJBPCWZKCNK-MTDXEUNCSA-N 528.612 6.039 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101336239 STHKMZXJOSBWRG-UZWMFBFFSA-N 621.137 7.179 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101337696 AJIOVXDMFLZGAI-KZVUAAPMSA-N 542.683 6.694 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101339700 CVLPSUAGNMZYNY-LQKURTRISA-N 586.648 6.156 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 101340104 GZRNGGREAFXFTH-WYMPLXKRSA-N 563.437 6.382 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1Cl 101365755 DDCYDHRDHVPNKK-XMMPIXPASA-N 541.387 5.847 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101367942 OVKXJLDHKVLICG-GDLZYMKVSA-N 593.474 6.229 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCCC(C)C)c(OC)c1 101368463 APHKMRNBXNKMID-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101372250 CPRAHUILHLTZKT-UMSFTDKQSA-N 562.666 7.174 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374300 MMDXJPGTYOSJQG-HKBQPEDESA-N 556.659 6.736 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101374678 ITNDSTYQEITQIG-HKBQPEDESA-N 591.104 7.127 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380243 DKOZDDUXRGPZQH-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384465 YZGLNLKNPJFANP-XFSFLGPDSA-N 564.613 6.558 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384740 GCHRLYJENDSZKZ-NKQBXDEYSA-N 625.552 8.707 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386002 KTCUTCLHMPSGNO-JGCGQSQUSA-N 595.095 7.662 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386757 VKJYWASHGSBGFT-YTTGMZPUSA-N 580.612 6.638 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101393129 XUGGGUZKDHRGFX-LJAQVGFWSA-N 538.600 6.675 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1Cl 101394058 LVAFNSUTTUVCDD-OAQYLSRUSA-N 546.204 6.202 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101395219 PTEVXRBDVFQING-VWLOTQADSA-N 595.504 7.833 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396633 YOHODJKXVIPTTC-QFIPXVFZSA-N 537.424 7.044 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101397119 BQQPUBQSHKMWAG-VWLOTQADSA-N 545.389 6.340 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 101399491 RSZAOUPCRSKBAD-LJAQVGFWSA-N 613.066 7.719 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)o2)cc1 102665458 HMWCPKXBXOBBCJ-WDUNQMNWSA-N 560.672 6.812 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 103726309 ITTNFYLHVKTCHV-LKNXVUQUSA-N 522.024 6.758 50 10 KKGE CCOc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103738358 DSNQRZYZHDBDBL-YRICHZAJSA-N 510.250 5.274 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 104037111 JAQMMWBGVIRGAI-AJBULDERSA-N 531.102 7.795 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccccc1Br 150402414 QPUXVIOZIDBJPT-KRWDZBQOSA-N 649.539 7.919 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 150408312 ZXZLYTYYHDKGLE-UHFFFAOYSA-N 666.230 5.648 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 150430454 VNABBBSSGUMEAF-ABZYITTCSA-N 633.439 5.150 50 10 KKGE CCCCCCCC[Si]1(CCCCCCCC)O[Si](CCCCCCCC)(CCCCCCCC)O[Si](CCCCCCCC)(CCCCCCCC)O1 196834775 UEHOWTBIFIIEBO-UHFFFAOYSA-N 811.599 18.539 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 206397480 TYCWOASLSJVBDI-DMSKQOPWSA-N 505.574 5.555 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214405964 JADYJJGJCPSQQI-GTWSWNCMSA-N 635.721 5.645 50 10 KKGE COc1cc(Br)c(Oc2ccc(CBr)c(Br)c2)cc1Br 234917509 LAUJRNKSPWRLHX-UHFFFAOYSA-N 529.848 6.670 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)cc1Br 235822400 APFNTSUOTNYUCT-CYBMUJFWSA-N 515.840 6.906 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N 252620694 MJWDMAULTMDSRQ-RSXGOPAZSA-N 586.639 7.194 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 253614640 YQFZNYCPHIXROS-QARYHLGGSA-N 919.761 9.476 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)sc2c1CC[C@H](C)C2 254608098 OMCONJZQBOIKTK-IBGZPJMESA-N 587.673 6.010 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccccc1OCc1ccc(C(=O)OC)cc1 254625694 WJPGJNXQCIIBGJ-UHFFFAOYSA-N 522.730 7.984 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 254765085 SUBIYYAXPYDRFT-UHFFFAOYSA-N 566.783 8.635 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)cc2)cc1 254874581 JGPFCVCXQHBBRD-UHFFFAOYSA-N 641.753 6.991 50 10 KKGE CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 257601563 WIMMWIAJQXLZLL-DYXSMTIASA-N 533.876 5.184 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)c(Br)s2)c1I 379204073 JGQDUIGDPUPIEX-SSDOTTSWSA-N 540.844 5.096 50 10 KKGE Clc1cc(I)c(Oc2cc(Br)ccc2CBr)c(I)c1 388238667 QYVKVSMMHRUJRV-UHFFFAOYSA-N 628.267 6.999 50 10 KKGE Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1C 588229209 MUJWFTBDEDDLJO-ALQBTCKLSA-N 575.694 6.952 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238157 QFVMTJBQPKBIRI-HXUWFJFHSA-N 546.011 5.159 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 725399414 JBDLJVZLWOAUNO-DEOSSOPVSA-N 590.312 6.153 50 10 KKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)NN=Cc5ccc(OC6CCCCCCC6)cc5)(C4)C2)C3)cc1 1081167918 PUVNKBQWEGACHJ-NSEOQFQZSA-N 513.726 7.410 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1083896358 RINLOGBTWOQSHQ-UHFFFAOYSA-N 649.814 8.702 50 10 KKGE COc1ccccc1NC(=O)NN=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 1083988489 IXWQMIQFIWGULE-UHFFFAOYSA-N 555.704 6.759 50 10 KKGE CCOc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1084014791 OCVZOQHMHRTCRP-UHFFFAOYSA-N 506.194 5.293 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 1084072830 WRQJJWZSBNFSBY-UHFFFAOYSA-N 666.594 6.089 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 1084222042 LYUPLQGLWRAOOK-AREMUKBSSA-N 507.417 6.690 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 1084307183 WWYZYQKWYNHSDJ-UHFFFAOYSA-N 690.675 6.687 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)c(Cl)c2)cc1 1084313456 WYEVFEFJTMDRKH-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Br)cc1 1084345301 OIECXIYLAJCIPM-CXUHLZMHSA-N 508.210 5.184 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084347246 OOAZEDQQRSJZIB-NTEUORMPSA-N 529.292 6.156 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084359513 KZOUNQYNBBMCLU-UHFFFAOYSA-N 641.143 8.006 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 1614653238 WNSSQTBHHKVSJA-FXPXBNEZSA-N 523.702 6.731 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720055 FIVIVHTXCCZWPU-UHFFFAOYSA-N 558.587 5.013 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@@H]2Br 1772721806 YPMAEAXWRRXLMA-RBFRWODHSA-N 633.057 6.793 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3Br)CCC4)ccc21 1772743980 NIRDUJWXCIKFNT-UHFFFAOYSA-N 583.486 7.201 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)cc(Br)c1OCc1ccccc1 1772754304 WESGHXXDNSMISZ-UHFFFAOYSA-N 525.443 5.998 50 10 KKGE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1848439903 VFUIXKHDHLNIHF-ALSNNRHJSA-N 635.091 9.716 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685280 HPYZJZBUEWEHPO-RUZDIDTESA-N 541.449 6.652 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865687536 UDWQWSVOGLHSTH-PMERELPUSA-N 540.623 6.404 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865688630 XIUXFAXMMKTCEN-DEOSSOPVSA-N 566.967 6.393 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865691062 IHVKRLXPDIOWGR-DEOSSOPVSA-N 571.903 6.783 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865691269 ODRRCXGFYLBRQH-LJAQVGFWSA-N 550.659 6.734 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865693784 YWDVXHKKPZNKPF-HSZRJFAPSA-N 553.457 5.611 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865694734 AHWRCDFSCLLUPY-RUZDIDTESA-N 512.997 5.877 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865695874 ABWBXZINGKGMRT-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865696761 KBRJZRUHVNGBHA-HXUWFJFHSA-N 515.795 5.222 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cc(Br)ccc1F 1865702697 ZTVOOOUITUHHBV-MRXNPFEDSA-N 527.703 5.723 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703406 VGTVKOSHQMIOFI-MUUNZHRXSA-N 520.633 6.464 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703958 JORZMICFVGEMOR-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704148 OLVIRVMRFASXPY-PMERELPUSA-N 516.576 6.329 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704621 ADYWXHBJDXQCLL-MHZLTWQESA-N 538.579 5.469 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710420 XSCLCYLVBIQBTH-RUZDIDTESA-N 571.977 5.158 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714416 JUHJMRHIWBPPFW-HSZRJFAPSA-N 513.395 5.588 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1868389499 WLKIVYNOTMEXKO-SSEXGKCCSA-N 521.646 6.627 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868414312 LHIPIZGNTWIIFL-UHFFFAOYSA-N 571.150 6.877 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4ccccc4s3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433751 QNNBEQGGAKCLGY-HSZRJFAPSA-N 541.105 8.065 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1 1872791676 QFRNMCYTNJVIQL-VFCFBJKWSA-N 508.687 8.802 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc(Cl)s2)cs1 1872794662 ORGNEENYTJFPSQ-YCRREMRBSA-N 502.640 6.820 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2csc(Br)c2)c1 1899857769 RZJDEDCMXLYLAT-SFHVURJKSA-N 517.080 7.336 50 10 KKGE COc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)cc1CSc1nc2ccccc2o1 1933279718 YIQBYZHJRMCSBE-UHFFFAOYSA-N 634.824 6.222 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1cc(Br)c(Br)s1 1940445030 HMRINBCJWOVAIW-VIFPVBQESA-N 506.428 6.400 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(I)c(Br)c1 1950214380 GMALESMSGKIDHN-LLVKDONJSA-N 550.879 6.670 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C=CC=O)c1I 1951355330 AECRZPDHDCBTNX-UHFFFAOYSA-N 624.982 5.060 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2094096432 XOTSZQMJGZCNIH-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Fc1c(Cl)cccc1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2113470492 KJVDTCKKHXIUQP-ZETCQYMHSA-N 511.863 7.351 50 10 KKGE CCCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141469547 BAFCVZJIEMGBRF-ZDUSSCGKSA-N 538.343 7.987 50 10 KKGE FC(F)(F)CCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474848 GENCJHDOBORZSA-RXMQYKEDSA-N 596.699 7.905 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2C)ccc1I 2142104090 SFLCWEMSKWXYNT-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1cccc(Br)c1Br 2148753319 RQKPFGQPIIHQSB-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE C[C@@H](Br)CCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2189280372 TUHZFLGGSBYNBQ-MRVPVSSYSA-N 530.884 5.661 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2202351271 IARFHYOBYORISN-CQSZACIVSA-N 503.843 6.964 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2203002332 ORYJISYLUTXGEQ-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE CCC1CCC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206398297 SXBWITBDQPDNOA-RPTIHFLNSA-N 596.821 8.389 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2sncc2Br)c(Cl)c1Cl 2217612958 JYLNSRLXROUVKH-ZETCQYMHSA-N 515.279 7.113 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1I 2217864220 IKLSIVFEPITGKZ-VIFPVBQESA-N 629.775 7.433 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccccc1Br 2218597573 NOXIZAFCPIMOCP-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 2235602217 CRNYZMUXDXCWFN-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)c(F)c1Br 2236111417 UONFZWRWFGKTBX-LLVKDONJSA-N 584.793 6.718 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2270433828 IMKFUEDQSOZKMS-QMMMGPOBSA-N 576.732 7.966 50 10 KKGE Brc1cc([C@H](Br)c2ccc(C3CCC3)s2)ccc1I 2271956334 PXLXWVNDWMQXRV-HNNXBMFYSA-N 512.048 6.867 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(Cl)c1Br 2283191802 OYRFLNHKIDQEES-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506798 FPOFBWAIUZZUKR-QFIPXVFZSA-N 522.399 5.653 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2299534347 CMJHVHFPQKLOKJ-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 2313682645 HYKWSSCDFAWNCG-UHFFFAOYSA-N 615.712 5.461 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(I)ccc1Br 2314453384 WERWTQXRYRMCJL-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593323 LFQWMIWTRSOLCQ-DWXRJYCRSA-N 584.063 7.225 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314610672 KXFPVDGGHNCHIW-UHFFFAOYSA-N 570.693 7.209 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 2314618039 GEMXSBJEHPYNBS-UHFFFAOYSA-N 543.627 5.824 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314640668 JOEIILZKAKNNGO-PMERELPUSA-N 510.590 6.101 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314640780 XUCJCMXONBDWED-UMSFTDKQSA-N 591.107 8.053 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646573 DDMNOPOSYFHSRZ-MUUNZHRXSA-N 660.752 5.338 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OCC)c1 2314735755 BCOXIZBRSQPBHM-UHFFFAOYSA-N 550.405 5.969 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 2331303999 DVSFTXMPJYTWFR-UHFFFAOYSA-N 501.007 7.557 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1OC 2331402061 KJKGTYFNERTYCD-OAHLLOKOSA-N 516.044 5.426 50 10 KKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358264507 IWOYEFILMLIAEP-SELLCHFJSA-N 558.280 7.308 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2cc(Cl)c(C)cc2I)c1 2361710482 RGMYVWVPQLAVGC-UHFFFAOYSA-N 530.425 7.011 50 10 KKGE CN(Cc1c(Br)c(Br)nn1C)c1cc(Br)ccc1CBr 2364336709 RDICUACBQAMWIK-UHFFFAOYSA-N 530.884 5.239 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365214431 AJBVHPOYEQHBBG-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE CCOc1cccc(Oc2cc(Br)cc(I)c2)c1CBr 2367454595 ZOPNOZWRZDNHEX-UHFFFAOYSA-N 511.979 6.140 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2I)c(F)c1 2367458828 KFYCNNIVMBAMSB-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cccc(OCCc3ccccc3)c2)cc1 10334446 GLOHOPBVUZUPDX-UHFFFAOYSA-N 519.667 5.217 50 10 KKGE COc1ccc(/C(C)=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491498 ZQKPDLDXZHTELC-ZMOGYAJESA-N 506.194 5.293 50 10 KKGE COc1ccc(C=NNC(=O)c2ccccc2Br)cc1COc1c(F)c(F)cc(F)c1F 15934123 UHOKQWCCYQKLSU-UHFFFAOYSA-N 511.269 5.357 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 29503110 JFBOEZGFPHMHNX-CRNOCTGHSA-N 600.766 5.853 50 10 KKGE N#C/C(=C/c1ccc(/C=C(/C#N)c2nc(-c3cccs3)cs2)cc1)c1nc(-c2cccs2)cs1 33636081 NDHDBTSGIRSGBK-YZLQMOBTSA-N 510.694 8.185 50 10 KKGE O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1)[C@H](Cl)c1ccccc1 34919445 LSBDIVSPJXIECD-RPLLCQBOSA-N 524.086 5.561 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38684027 RHPBXGBFQIHAAZ-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C/c3cccc4ccccc34)cc2)cc1 100079515 GEFPDVBTZXDPJG-HMMYKYKNSA-N 550.684 5.739 50 10 KKGE Cc1cccc(COc2ccc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2I)c1 100145770 WWVSFCDYGMGHGO-MAAPNWIXSA-N 528.390 5.143 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 100235717 LIJIBRILKYUEGO-BIRDKGHYSA-N 614.751 7.351 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(Br)cc3)nc12 101115356 NNIVBNZIAOQUAQ-VBKFSLOCSA-N 569.337 6.122 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245454 RCKKVMLIEMRGQU-RAMZYJDASA-N 570.036 7.295 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101293510 XUKYIPJKHNKRHX-WJOKGBTCSA-N 548.570 6.407 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101338109 SAYTWDGDBQTFEL-VUTHCHCSSA-N 528.612 5.691 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101341499 AWAOFIBMJOYYQG-TWKHWXDSSA-N 596.684 5.136 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101367893 SWQOEYFAVNQCCW-NDEPHWFRSA-N 534.996 5.730 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 101378376 NXFOTVBYHRNFHQ-UGDMGKLASA-N 540.660 6.970 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc(OC)c1OC 101378621 RWSDWGIHYQHHQA-HKBQPEDESA-N 578.621 6.037 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380692 VGKINCKQQYXJHM-MAEVIZKRSA-N 532.571 6.550 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1Cl 101381274 FTCPAKWWDAROFU-WJOKGBTCSA-N 621.904 7.737 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc(OC)c1OC 101381631 ZQTZTVJUTHOGRG-PMERELPUSA-N 564.594 5.729 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383149 XREYRZKROGEPFG-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384434 SZAHHUQFLCFASJ-HKBQPEDESA-N 571.004 6.569 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384684 IOKFIOQFWLIIEX-KRMUNYKUSA-N 603.889 8.063 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101386314 QAUQYGPUBMUBBP-DHUJRADRSA-N 603.074 7.447 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389531 IDLDGCPWRGTSDA-QTYPKTMWSA-N 598.602 6.534 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccccc1Cl 101391014 RYPSYTWIGNWUQI-HXUWFJFHSA-N 562.261 7.952 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)c(C)c2cc1C 101391456 AOOFFORQERFOFE-RUZDIDTESA-N 529.390 6.558 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1Cl 101392828 UXHVKKMAVAWCME-SANMLTNESA-N 569.441 6.627 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)sc2c1 101398470 KUXQTBNDEWOTNS-GDLZYMKVSA-N 613.522 8.533 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 101647449 ORPWNOVMTIXOHJ-SLMZUGIISA-N 577.660 5.311 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)c(C(=O)OCC)c1C 102924631 OUARRLIDKOZHQY-GHRIWEEISA-N 509.609 5.685 50 10 KKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Br)cc1 103877018 BXNMWYLXJLWVET-IPPBACCNSA-N 565.265 7.033 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1F 103880781 QIENACARQIPONP-UVHMKAGCSA-N 544.320 5.528 50 10 KKGE N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104799998 RACUQJFPKTUYEG-XMHGGMMESA-N 516.538 6.833 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 150401430 HVHOSUUVHCYWCO-QGZVFWFLSA-N 615.640 7.064 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150411147 KSOVXBIZJVFRTL-UHFFFAOYSA-N 688.236 5.877 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 150463925 LUHVSQKRQYGCDO-JGCGQSQUSA-N 631.512 7.400 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@H]1OC(=O)CCCC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 221102440 CTECQHMOPOFQJP-JVMHJAGASA-N 799.190 13.846 50 10 KKGE CCCCc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 233039709 VRUIHXPGYXJTEA-QGZVFWFLSA-N 508.035 6.881 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(Cl)c1 234975596 MZTTWIKAXHTNML-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(I)ccc1Br 236181368 DJTUGQUPYBGHBH-GFCCVEGCSA-N 501.934 6.011 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 253530164 JWEOPRVXJUYGSP-PDGOGYCMSA-N 549.678 9.359 50 10 KKGE biogenic COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC(C)=O 254397221 DMLNHAOIJJCPCC-UHFFFAOYSA-N 601.729 5.725 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 254415506 SQSUDBMJRBGKJY-KPZIFIMUSA-N 594.643 5.431 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1 254415569 UOVATSXTRIAQIR-UHFFFAOYSA-N 503.602 6.533 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccccc3)n2-c2ccc(OC)cc2)cc1 254745010 GYVPSAGCDCRSSL-VFNHFJGNSA-N 513.623 5.249 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254874593 MTFZFOYKCHZBEG-LYMRTNJGSA-N 557.544 5.278 50 10 KKGE Cc1ccc(-c2cc(C(=O)NN=Cc3c(C)c(C(=O)c4ccc(F)cc4)n4ccccc34)c3ccccc3n2)cc1 263622329 OJXAOQISKQCBSO-UHFFFAOYSA-N 540.598 6.905 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCC 504488926 MEVSYCXXENFTJO-HHHXNRCGSA-N 503.208 9.302 50 10 KKGE Cc1cccc([C@H](Br)c2ccc(F)c(Br)c2F)c1I 691637558 WVCXKSFEYBPNHU-LLVKDONJSA-N 501.934 6.125 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(I)c(Br)c2)c1Br 721589045 RGISZSYMRLPWAD-SNVBAGLBSA-N 560.398 7.225 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1I 721695719 BODACDLAOWCRMP-CYBMUJFWSA-N 511.954 5.612 50 10 KKGE O=C(NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)Oc1ccc(F)cc1 725238505 KIKFOBJBTKIAOA-XMMPIXPASA-N 525.001 6.781 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1 725385122 LGPBNYRLGHCRDH-UHFFFAOYSA-N 515.407 5.414 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 725438511 PGQKDFFQMAUZGI-CRAIPNDOSA-N 545.171 5.145 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c1C 1083913661 NFENFFJUPOHNEG-UHFFFAOYSA-N 542.705 5.095 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1083972449 BRGQAMSDMZFFBN-JOCHJYFZSA-N 555.425 5.119 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2C)cc1 1084133276 GKEJKCLOZCGAQS-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)ccc1OC(=O)c1ccccc1Cl 1084249297 MOIFIZHDEGKOHE-UHFFFAOYSA-N 548.020 5.574 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2C)cc(Br)c1OCc1ccccc1Cl 1084479289 ZRZVBPFFMFWMFE-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE C/C(=N/NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)OC(C)(C)C)C(=O)NCc1ccc(C)cc1 1615525625 ACJLTYPKDUOQRH-MMOKGGPQSA-N 584.717 5.214 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749769 QWMBLKJCOBUOAK-UHFFFAOYSA-N 530.400 5.378 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865680362 IMDCEQVHLCMFCP-JOCHJYFZSA-N 505.361 5.535 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Br)c1 1865684565 RZJPLXMXVNWXHA-MRXNPFEDSA-N 544.158 6.238 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688382 QTZHSWBVBFMGFA-GDLZYMKVSA-N 555.078 6.983 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865697161 OJFSLKBZXQWDCX-OAQYLSRUSA-N 529.822 5.281 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703287 SKGRYWJSKKQANC-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703755 DZTRARDJJSMZKY-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704038 LFPBCZCAJLLSHC-PMERELPUSA-N 559.069 7.357 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706134 OPBPIOZAVCGPKW-INIZCTEOSA-N 528.249 5.522 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707359 VGGNXCWLWXHCLE-SANMLTNESA-N 508.578 5.151 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866781754 QNAVHTQWUFBUMV-UIOOFZCWSA-N 507.606 6.374 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)n2)cc1 1868320583 LDPTZSJVBZLWAH-JGCGQSQUSA-N 543.671 8.060 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc(Oc5ccccc5)cc4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456030 HUCWVJUKMLPYNI-UHFFFAOYSA-N 574.685 7.718 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CCO2)cc1 1868505984 OVPXTARFXRPVRO-HHHXNRCGSA-N 523.662 6.609 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872744365 OPEWJUWXSPKDKW-JRXCRPKVSA-N 505.599 6.073 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751281 ZUOHPOFJMAWHKD-JOWULSIMSA-N 501.564 5.085 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1873793195 BIQYUKDUSVAAMR-XCCYOMQZSA-N 504.027 5.317 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873795349 ZFZWWFGOGGTKNP-VOWJQMTESA-N 507.606 5.947 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924582881 BZQAGGDLMBABBB-QMMMGPOBSA-N 507.842 6.659 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924586046 SWCPWECDKZWWRG-MRVPVSSYSA-N 568.748 7.282 50 10 KKGE CN(Cc1cc(Br)ccc1Br)C[C@@H](Br)COCc1ccccc1 1982458649 ZGQCUUGRZKIHAC-QGZVFWFLSA-N 506.076 5.624 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2053612176 ZUFMOUFQBYZIHB-MIYLOKOWSA-N 885.088 9.507 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1I 2053623022 ALQNNHKDOSWGFP-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(F)cc2I)c1C 2082884941 ODUMFUSAAWQAAG-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c(Cl)c1Cl 2115931410 RZIQNTUISDNHSO-SSDOTTSWSA-N 504.285 8.262 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2csc(Br)c2Br)cc1Br 2137646197 CONWRRZJNKWCGF-NSHDSACASA-N 509.872 7.026 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@]12CCOC2 2141468379 JLXGFHCZWBZQGJ-GBRJYTSESA-N 538.299 6.443 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]3C2)c1Br 2141469293 ULIBCUHQNJFEFP-HZLHGAJGSA-N 580.778 7.609 50 10 KKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469452 VLVPHOFMPWZWGV-NVNXEXLPSA-N 596.699 7.761 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@H](Br)c2sc(Br)cc2Br)c1 2200838169 LZLHIOVPNAUAMM-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCC12CCC2 2206398465 VJZOSYKXSJUFIQ-CLAHSXSESA-N 550.354 7.987 50 10 KKGE Fc1ccc(Cl)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404570 AYTMPDJLVNMKRM-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1ccc(Br)cc1I 2207259988 DINRDKAGELSWOA-QMTHXVAHSA-N 515.027 5.127 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232513644 XYGUKQYOJBKONA-NSHDSACASA-N 569.289 7.807 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 2272726685 BEJUJJKUMPRNBD-QMMMGPOBSA-N 604.728 7.561 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 2296506816 GLPFJGDXKDLNCE-XMMPIXPASA-N 576.472 5.691 50 10 KKGE O=S(=O)(N=C(SSC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 2297464029 ORCDXBNMUSMMIZ-UHFFFAOYSA-N 621.614 7.346 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(Br)C2)c1Br 2300179817 XNRPPYBGWCWKKA-PACJAATDSA-N 514.252 6.614 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2sc(Cl)cc2I)c1 2300954443 XRPPHNWCGFVHJI-SNVBAGLBSA-N 573.846 6.748 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2c(Br)cccc2Br)s1 2300954660 ANNHCTKEWHZBSU-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)s1 2301119794 XSXAFRHPGVVLSJ-ZCFIWIBFSA-N 507.871 5.562 50 10 KKGE ClC[C@@H](I)[C@@H](CCl)OCc1cc(I)ccc1Cl 2307206558 LOJALXMOKXICPP-GHMZBOCLSA-N 519.375 5.111 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 2313518414 BGVOJYYEIVINQJ-UHFFFAOYSA-N 587.224 6.253 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C)cc1 2313556899 OEBDNWUBNFMBDU-UHFFFAOYSA-N 554.488 6.812 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1 2313571590 ZWEMHBONBFMCII-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCC(C)C 2314433001 ISOXKDCBXBFJKD-UHFFFAOYSA-N 501.590 6.596 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 2314620160 KZCIQHXYPABTPS-UHFFFAOYSA-N 563.057 6.692 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 2314760052 DLSSIORYWATVLH-UHFFFAOYSA-N 502.567 5.318 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 2331237831 JVIJSAGYMDDPLR-UHFFFAOYSA-N 505.599 6.842 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1C 2331259020 ACDWHDBYWWEJAY-UHFFFAOYSA-N 517.401 5.865 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331345712 TTXWGCSHDQRBRR-XMMPIXPASA-N 515.679 7.001 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OCC)c3)n2)c(OCC)c1 2331473494 BYLLMWYLQAAVFY-UHFFFAOYSA-N 515.429 6.538 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361210642 RXXRCPTVDJFUGR-FQEVSTJZSA-N 500.152 7.531 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1C 2365215152 HRDZRMKWVVEMHF-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)cc2I)c1Br 2365597084 ZBUPPWAPMAFOBZ-LLVKDONJSA-N 617.703 7.746 50 10 KKGE COc1cc([C@@]2(O)CS/C(=C(C#N)/C(O)=N/c3ccc(Cl)cc3)N2c2ccccc2)cc(OC)c1OC 3243430 JSDRROIIUKUVTG-SJALUMQSSA-N 538.025 5.788 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14649835 ZSEACFXNXHYJTP-UHFFFAOYSA-N 516.436 5.222 50 10 KKGE C=CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N/NC(=O)c1cccc(Br)c1 27526856 OUVBPVUCWRIPFA-HIXSDJFHSA-N 507.251 5.482 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)c(C)c3)c2C(=O)OCC)cc1 33586591 SLTVHRBAHGMPHI-KQWNVCNZSA-N 502.636 6.933 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1 34737483 FWITUAQSWNJUJT-MFOYZWKCSA-N 515.766 6.375 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NC1CCCCC1 35446240 LIIHEYLLOZFQSL-BWAHOGKJSA-N 520.608 6.613 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1OC 97914949 JABWLXXMTNMFII-HHHXNRCGSA-N 517.066 5.250 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100083287 QNXKFVMFZDZWKW-UHFFFAOYSA-N 593.341 5.377 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3F)cc2Br)cc1 100233425 JFOVZSQDUNCJRA-DVMDLWDRSA-N 573.459 5.929 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 100233675 KHHJYJSLRLHZGS-DVMDLWDRSA-N 589.914 6.443 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 100234597 OBVRWBMYHAIXBA-ZZJXEYPFSA-N 580.306 6.698 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1OCCc1ccccc1 100241629 HWHVLTGIIKTUDM-UHFFFAOYSA-N 598.291 5.826 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OC/C=C/c1ccccc1)c1cc(Br)ccc1O 101057455 XWMIEYXIZHMGFQ-MXGLZTSDSA-N 530.216 5.773 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 101338596 BVVPEDLTVPUUJD-TURZUDJPSA-N 536.701 6.966 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 101372200 AJUBECTVZOIAGF-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 101374739 TZILRHIKJVKKLF-YTTGMZPUSA-N 556.659 6.419 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 101377148 MPERFORALUTEKG-WJOKGBTCSA-N 540.660 6.756 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 101377986 IOWYMKGFLVCYKD-HKBQPEDESA-N 561.078 7.200 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380105 XCGOCXMIMLCPGN-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381695 VDXIXCBWBSMIRZ-WENCNXQZSA-N 536.559 5.996 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101386979 POVVNDRGHOLZAU-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387247 QAGOVQVSOVWFLT-MGBGTMOVSA-N 594.639 6.885 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(C)cc1 101387638 BTFGLNPGTPLXNY-JGCGQSQUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399805 PUVCIPVYUPJMKE-JGCGQSQUSA-N 625.052 7.949 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150425165 RSRZFWRJBLCEFA-FQEVSTJZSA-N 644.722 7.563 50 10 KKGE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CCCN3C(=O)/C(=C\c4ccc(C)cc4)SC3=S)C2=O)cc1 150612151 DGLPHWJCQFWYNH-QFFDILLMSA-N 638.862 5.114 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 164014948 WHVISDVQIWHKNC-XAZZYMPDSA-N 703.512 6.591 50 10 KKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216493333 BVIAPURDQUPKCZ-PNHLSOANSA-N 522.649 5.397 50 10 KKGE Brc1cccc(C[C@H](Br)c2cc(I)ccc2Br)c1 232474333 KZCDRGHNHZMBMU-AWEZNQCLSA-N 544.850 6.495 50 10 KKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 235337600 FMMNDMSYIBXCDC-BMIGLBTASA-N 515.027 5.127 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1cc(Br)sc1Br 236032390 GNVIVNDVVILPJV-JTQLQIEISA-N 571.297 6.968 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 252517019 YYIHHGCOFDCDPX-UHFFFAOYSA-N 511.510 5.172 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254348613 DMICSMWYRNXMOS-BACKGCAHSA-N 506.558 5.414 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254482151 BIUBKOKUTOAAOF-WBKVCTHNSA-N 529.666 6.131 50 10 KKGE CC(=NNC(=O)Cc1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Br)o2)c1 254501753 SZUZPCDOUWYBCC-UHFFFAOYSA-N 519.193 5.140 50 10 KKGE O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 254838590 HQGIPLVNICLIPC-UHFFFAOYSA-N 512.569 6.432 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 256018953 CALAFIKKNBSBPP-MYZBYCSRSA-N 847.945 6.981 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@@H]5Br)C6(C)C)cccc34)CC[C@@]1(C(Br)Br)[C@@H]2Br 256020008 RCRTTZNKYHHGPD-QEPZXNAISA-N 932.022 10.088 50 10 KKGE C[C@H]1CC=C(C=O)[C@@]2(C)CCC[C@@](C)(C[C@H]3O[C@@H]4O[C@@]5(O)[C@H](O[C@@H](C[C@@]6(C)CCC[C@@]7(C)C(C=O)=CC[C@@H](C)[C@H]67)[C@]56CO6)O[C@@]4(O)[C@@]34CO4)[C@@H]12 256447898 UXKREJHATGOFIH-YRRQMGHISA-N 696.878 5.134 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2Br)C1 382697554 BJNISYJFKZAKOC-RHSMWYFYSA-N 534.619 5.890 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 404953225 REUMBPKCHNYBTK-JTQLQIEISA-N 500.805 7.886 50 10 KKGE Cc1ccc(CBr)c(Oc2c(I)cc(Cl)cc2I)c1 686496491 ZPDQBLXVDKUROU-UHFFFAOYSA-N 563.398 6.545 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)cc1Br 693106409 HFOJLQCPFKREMX-NSHDSACASA-N 501.842 5.500 50 10 KKGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCBr 697199970 JFEWGSZIBDUOCE-IINYFYTJSA-N 515.027 5.079 50 10 KKGE Cc1ccc(CN2CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)o1 725237239 BRXAUSPMZWBUJA-QHCPKHFHSA-N 540.007 5.326 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1 725423989 NVKYNZNNRHXXIB-VWLOTQADSA-N 604.339 6.462 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2cc(C)cc(C)c2)cc1OC 725444297 DAHLGJJLMQXYAK-UHFFFAOYSA-N 602.757 5.691 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1083845920 LVBMESSXPXBPIA-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cc(Cl)ccc1Cl 1083888186 XLHFABRCTWWWTP-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1083936769 ILWLCFANBBVRKF-QFIPXVFZSA-N 501.808 5.645 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084013331 IQRJPCICYHVACZ-UHFFFAOYSA-N 645.634 6.867 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 1084036681 RGBDNMQQIHMTCJ-UHFFFAOYSA-N 520.800 5.713 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084203441 WIXNPYGNSHMUOF-KRWDZBQOSA-N 518.400 5.981 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084312720 AVAAFKCWWVCALQ-UHFFFAOYSA-N 639.174 5.736 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084492024 FIFJXFXXZRXGIS-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 1775953833 BIYYEQKEADNAJH-AZRUKHBNSA-N 720.222 11.325 50 10 KKGE in-vitro N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1865683998 KTKBUEOBFWJYAK-INIZCTEOSA-N 509.713 5.584 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 1865686128 RRUYIAHDBPUAHS-IBGZPJMESA-N 501.295 6.569 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OCC 1865687820 AZJZOAAPQMTBCG-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689433 RXFDUJFMYNSDHD-MHZLTWQESA-N 577.468 6.556 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689592 TZEQGTXEAKIFBQ-FQEVSTJZSA-N 553.368 6.424 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865692055 IJSDMRIESAYSIL-XMMPIXPASA-N 551.485 6.301 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693586 KVHVXZSUIJXABG-XMMPIXPASA-N 517.416 6.853 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696214 CSVVRKMZCNXZQG-LJAQVGFWSA-N 538.623 5.871 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129246 JSVOBSYFVMHDPC-CPNJWEJPSA-N 509.425 6.462 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C)c1-c1ccc(C)c(C)c1 1866131577 BTHXZRUMPKJYDN-YBFXNURJSA-N 509.425 6.435 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866731668 BKKLCSBXBBSZAJ-WDYNHAJCSA-N 543.689 5.989 50 10 KKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868208247 XLJFMNOHCSUNKO-UHFFFAOYSA-N 500.631 6.935 50 10 KKGE CC1(C)COC[C@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433996 UGDJZIDKLBNTGV-VWLOTQADSA-N 542.108 7.340 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3C(=O)c3ccc(OC)c(C)c3)n2)c1 1868505889 MMVCOXGDNGZZQN-AREMUKBSSA-N 551.672 6.638 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2cccc(OC)c2OCc2cccc(C)c2)n1 1872793352 VYWYIBNJDFIENW-LFVJCYFKSA-N 524.686 8.076 50 10 KKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 1873794906 IIGZFXLIXLERAA-XYGFXTTESA-N 510.031 5.155 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067107 YNZNGLHKICXDOT-ZETCQYMHSA-N 558.742 7.827 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)s1 2029233015 OCNHPJBGYSFSAE-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE FC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2064540934 PNRXCUDPEFYXDO-MRVPVSSYSA-N 525.901 7.144 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)c1C 2082883433 FYIUGTZEKCIJJS-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE Cc1sccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495470 QKVJUBMQZGPDAP-LBPRGKRZSA-N 538.324 7.435 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(F)cccc2Br)c1Br 2138851862 LSHJXZZGLAVRMP-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cl[C@H](C[C@@]12CCC[C@@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2141467639 ABPOVOJTTROOQB-LXORQNMDSA-N 536.327 7.597 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCCC[C@H]1C2 2141468886 OVZGJTGBWRLQIV-MEYOVJIESA-N 536.327 7.597 50 10 KKGE O=S1(=O)CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141478052 VWJWNORGZGZBQL-ULHQUTTKSA-N 560.327 5.451 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1scc(Br)c1Br 2141630438 UDJKTWCDAZLGGJ-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE C[C@H]1C[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206396568 YLMKNTYUOLKTOK-VRRBYHOISA-N 554.342 7.220 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CC3)c1Br 2260511479 IFESOMWPOCJYMN-TXMMPKFLSA-N 521.938 7.442 50 10 KKGE N#CC(=Cc1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2295178669 MAJVPOJSBRZNQB-UHFFFAOYSA-N 506.949 6.950 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296506783 FAWBCNBJJNIXBQ-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC)cc1 2297451112 MGWRSCACCTZQIH-UHFFFAOYSA-N 628.365 5.988 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2297458676 SEJLFMRMTZWUQP-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)c1nn(-c2ccccc2)c(N=Cc2ccc(-c3ccccc3F)o2)c1C#N 2297506199 AUWZLFSIHBHZTO-UHFFFAOYSA-N 584.010 8.871 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1 2313510995 IBMZHAXBBSWTKX-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COC(=O)c1c(NC(=O)CCCCCCCC(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)sc(C(C)=CC#N)c1C 2313526696 BNLBSYCSNDPMNQ-UHFFFAOYSA-N 624.785 7.161 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4cc(C)cc(C)c4)c3C)sc3c2CCCC3)cc1 2313543515 FZEDGZCNMRVAAD-UHFFFAOYSA-N 562.739 7.758 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1 2313556127 NOPURIGEQKGFMP-UHFFFAOYSA-N 578.894 6.827 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 2313571252 QUHDWGMPARGYFR-UHFFFAOYSA-N 595.324 8.288 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314447670 ASFMSAJIDRIPBX-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 2314532261 IEGMJZFJSRAMBP-UHFFFAOYSA-N 504.468 5.668 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)c1 2314533267 PWPHDXZKHNFPRZ-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591926 HVZITCSIQTZPJC-QHCPKHFHSA-N 538.456 6.375 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314618040 GEVQKTWLERMKNO-UHFFFAOYSA-N 593.083 6.400 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2316709824 PLOCCEYQJKTUBU-SCSAIBSYSA-N 518.283 6.404 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 2331376050 GHMJCTCGHCVIHZ-UHFFFAOYSA-N 518.422 6.137 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2sccc2I)c1Br 2339681399 HLUSSBNKBUZFEG-NSHDSACASA-N 536.454 6.523 50 10 KKGE CC1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC2(CC(F)(F)C2)C1 2361170677 FWLKQFIBLXHVLB-IBGZPJMESA-N 500.221 7.680 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 1408040 PQEDMIABRXLSED-KWLPWJRRSA-N 587.293 5.547 50 10 KKGE CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2)cc1 11026216 ODRQIJQSCBNDJK-FCDQGJHFSA-N 551.649 6.405 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 14041272 YDEADUBPDUUYIA-UHFFFAOYSA-N 524.415 5.264 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c1 14832315 VPYOWXOUIOOPDP-SFHVURJKSA-N 511.416 5.235 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 38686847 CITIQGJGXBMUJL-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 40530025 BBRSAJQXWRQAOC-GDJIYFAZSA-N 516.569 5.986 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814566 SNQBUZSVGWZTBP-TURZUDJPSA-N 515.353 5.455 50 10 KKGE N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 59297055 HBLZRWYLYFVVEQ-GZTJUZNOSA-N 514.334 7.561 50 10 KKGE O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2cc(Br)ccc2o1 59304371 QACKZRGESRHHDL-XODNFHPESA-N 506.787 6.616 50 10 KKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59676735 ACLFTFJAWGGGGL-CJLVFECKSA-N 515.444 6.252 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2cccs2)C(=O)CCl)ccc1OC(C)C 97914786 IOTSOACGUKBXPY-WNEJPSKBSA-N 507.096 5.548 50 10 KKGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)c4cccs4)CC3)N2c2ccc(C)cc2)cc1 97956399 OHPPXZZTJPFHMN-OLFWJLLRSA-N 526.687 5.637 50 10 KKGE CCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100153747 PAVVNIOWAKJYGG-UHFFFAOYSA-N 529.681 6.660 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 100231862 YTXVXJYURAODDS-XZJBEKIMSA-N 545.861 6.044 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 101021931 IAIOIDPFHIBZIH-FMIVXFBMSA-N 519.932 6.204 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101293405 BYUGAKKFRFEAMI-JGCGQSQUSA-N 595.051 6.930 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101375097 SWLGWDFPYUQVHL-HKBQPEDESA-N 577.077 6.675 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380712 TWBADGDCYATTLS-XLYKILBFSA-N 552.989 6.895 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381076 MUFOLLLFICQPIV-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385320 MZRHQONAJHEGBO-XIFFEERXSA-N 562.622 6.094 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386418 NNERLSFAAJQUED-RIPCNWKXSA-N 625.121 7.642 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 101394290 WDCAOBUXCMEJRO-HXUWFJFHSA-N 527.816 7.299 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccccc12 101398365 LWQLOSSETAAHGG-SSEXGKCCSA-N 563.009 7.411 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1 101727521 DKWVPADYSGPPCU-AMVVHIIESA-N 616.990 7.446 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 101870499 WXKHMEZJZDYIIX-JJIBRWJFSA-N 546.620 5.627 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)ccc1OCc1ccccc1 103649397 WIBPYXPDWRNGGM-XKZIYDEJSA-N 560.473 6.630 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 103742241 SEJLFMRMTZWUQP-FNBPXTNNSA-N 528.848 6.712 50 10 KKGE C[C@H]1CCc2c(sc3nc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)n(-c4ccccc4)c(=O)c23)C1 103908099 XJUSWZJEBNTVDZ-XZHXWOGCSA-N 542.711 6.186 50 10 KKGE COc1cc(CBr)cc(Br)c1OCc1ccc(I)cc1 115901852 FPIKOYOWMGNNRX-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150431692 YILLEPZQVCDTBH-HHUCIZBTSA-N 671.359 6.938 50 10 KKGE CCOc1cc(CNNC(=O)CCCCCCCCC(=O)NNCc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442245 APRCPKDYTJMQMD-UHFFFAOYSA-N 858.986 7.019 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 150657097 RBUNTSOSNVYDFV-OPEKNORGSA-N 626.055 5.865 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc9c(c8)C(=O)OC9=O)cc6)C7=O)cc5C4=O)cc3)ccc21 164055956 DQROEGPFMLSGQL-UHFFFAOYSA-N 784.645 7.286 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 164215543 DGIFNCYWNYLCDY-UXHLAJHPSA-N 643.405 6.306 50 10 KKGE CCCCCCC(C)(C)c1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1CC(CO)=CC[C@H]1C(C)(C)O2 169894706 YTJAMVHPSLRTJH-JWQCQUIFSA-N 500.840 8.902 50 10 KKGE C/C(=C\C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 195877533 GWEYNQSYTRXNRT-QALRXPNISA-N 852.501 13.875 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 203735990 JMCNKJFOIJGYRG-ZREGFMNJSA-N 769.972 6.389 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 205664310 OORJBSNUKPMHHJ-ZVSIZBEMSA-N 548.570 6.250 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205776347 YYBGTKWJPUPYGO-PUFQGMHOSA-N 646.769 5.943 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205781515 YQNNSBASVFHZDP-UVKUDMKVSA-N 650.782 5.577 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1 206396402 PBVSIJTXMIFVGR-LCJPNOMFSA-N 574.633 6.125 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](CC)C2 209399980 JZOMXZOZWWSRNF-VVZNPABPSA-N 519.579 6.154 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@H](CC)C2 209400232 WOOOWSGYIJTNCC-SBGXLDQMSA-N 525.630 6.794 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214354489 RITGGRONYLWPNB-HWIUFGAZSA-N 576.656 7.050 50 10 KKGE O=C(CCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254402777 KZGNVSDPVHCCFB-UHFFFAOYSA-N 590.636 5.286 50 10 KKGE CC(=NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1)c1ccc(F)cc1 254711663 QFMIAVLOHNKOHZ-UHFFFAOYSA-N 523.515 6.461 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2OCC)cc1 254824769 QZACQWYRNCVWSH-HXUWFJFHSA-N 635.739 5.545 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C)C(=NNC(=O)c1cc3n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 575733361 QCDAPCLAWUINIF-XMHXVYKYSA-N 527.513 6.250 50 10 KKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705618366 OZRONFKYTKPETH-IBGZPJMESA-N 542.880 6.709 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1F 721618185 ZRTRKDNQIKPDCJ-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 725437373 NNVYMLNCVROEDU-HSZRJFAPSA-N 545.861 6.044 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083817483 GEYKFJRDKMXPMQ-XJIHQHRMSA-N 702.964 7.691 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1083977227 AJOYYQLOJFOEDW-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 1084057750 JICZXSZAVOBUOP-UHFFFAOYSA-N 607.688 6.283 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084077687 FIEPCZNZKAMTEB-NHCUHLMSSA-N 620.112 6.453 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3F)cc2Br)cc1 1084387837 JFOVZSQDUNCJRA-VWLOTQADSA-N 573.459 5.929 50 10 KKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1084559995 BNGWFFBCKVSZPH-UHFFFAOYSA-N 516.381 5.069 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(I)cc1 1084613103 YLOFORWGSCRAHT-CXUHLZMHSA-N 705.117 7.336 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084613555 YZKBOBXHMLYKAX-UHFFFAOYSA-N 554.934 5.003 50 10 KKGE CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 1615811080 ABUHPHDFZWIMHE-OXJQKMSESA-N 540.785 7.810 50 10 KKGE biogenic CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 1772755386 DUDGYNNRWLYQFB-UHFFFAOYSA-N 557.916 7.288 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865690381 PSMAVHWTOWOPRX-HXUWFJFHSA-N 502.924 6.332 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865690929 FEXQCHLIKBNUKE-QHCPKHFHSA-N 571.903 6.315 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865696417 GKIPEVQIBDVGAY-QHCPKHFHSA-N 523.431 5.603 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701045 KIQOSCFDXCHVSR-SANMLTNESA-N 531.443 6.929 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865703460 VYXUAHBCXSOQGX-HHHXNRCGSA-N 552.556 7.150 50 10 KKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703500 WVHOILYQEJKQIG-RUZDIDTESA-N 541.479 6.748 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865706729 DHLTVDDAIGBOJU-OAHLLOKOSA-N 531.705 5.784 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865707238 RNGFGHKWYNAETI-HKBQPEDESA-N 511.629 6.579 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707587 AFYKULJUEDCFDB-NDEPHWFRSA-N 530.584 5.936 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710907 LDPUTFUIZIDIJP-QHCPKHFHSA-N 502.496 5.844 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866650538 QRWQRHWOXALPBD-AREMUKBSSA-N 526.618 5.146 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1OC 1868207080 FRVALAHRPLTFSA-AHWVRZQESA-N 553.688 6.104 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)CC1 1868342010 HPQGYRNGCSYOLX-UHFFFAOYSA-N 516.715 5.854 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Br)cc1 1872726708 ACLOODRHWZNJAE-CPNJWEJPSA-N 502.368 6.140 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccccc2Cl)cs1 1872745779 CHNPTTXZRAMHMB-ATJXCDBQSA-N 501.926 6.353 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 1872758499 CZKVMMMNYLBXDM-FLFQWRMESA-N 513.962 6.223 50 10 KKGE Fc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1Br 1922939637 IQLVCZLNSINTIW-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Clc1cc([C@@H](Br)Cc2ccncc2Br)ccc1I 1924054315 YZUVBYXRRROQAP-JTQLQIEISA-N 501.387 5.781 50 10 KKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924616672 ROVYFBUMPISEOH-WPRPVWTQSA-N 525.970 7.790 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Br)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2053512309 WOVLNLWGPSNBIS-HHHXNRCGSA-N 659.005 7.996 50 10 KKGE N#CC(=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)S(=O)(=O)c1cc(Br)ccc1Br 2053614769 JUVHQKLWHMHCFP-UHFFFAOYSA-N 555.248 5.448 50 10 KKGE CN1C(=CC=CC=CC2=[N+](CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(NC(=O)CI)ccc21 2060316550 RCGGFAVUBKSTCR-UHFFFAOYSA-O 754.689 5.385 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 2072299940 DEAOBFLJJOQWIZ-LURJTMIESA-N 586.767 6.324 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1Br)c1ccccc1Br 2092336495 YKZMGLWNALCUSL-LLVKDONJSA-N 511.877 6.695 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Br)cccc2Br)c1Br 2138861179 GJVRMFDRBROJNG-CQSZACIVSA-N 576.746 7.529 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cccc(I)c2)c1Br 2141470844 LHEKMZKPMREKQU-LLVKDONJSA-N 688.615 7.826 50 10 KKGE FC(F)C(F)(F)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471457 RSNQWJUFKPWWJY-YFKPBYRVSA-N 556.211 7.307 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)oc1Br 2141472915 JJWAVXPSWUPNFF-LLVKDONJSA-N 645.603 7.885 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1csc(Br)c1Br)OCCO2 2150344704 QTHNFEOLYWHWQB-NSHDSACASA-N 547.888 6.291 50 10 KKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(I)ccc1Br 2150547604 YSASUZRQFOFIGZ-OAHLLOKOSA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)c(F)c1Cl 2201618923 MGFJVDPBGAYEIQ-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2206396229 UNRFJMHCMYSIKQ-WGKISQMNSA-N 550.354 7.843 50 10 KKGE Fc1cccc(F)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405512 LOUGWVKNMHPHRI-ZDUSSCGKSA-N 554.248 7.343 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2207274972 HHKRPPMEDLJMOW-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)c(C)c1Br 2227360354 RIMAHYDAWYIFFQ-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2229318051 PLUOAURXNVIVDZ-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2232514753 WTBFMIOMKQWEPP-LLVKDONJSA-N 528.801 7.481 50 10 KKGE COCC1(COC)C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2238380704 MCSOXFISLOPPJW-JGVFFNPUSA-N 555.952 5.956 50 10 KKGE O=C(Cc1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2263483819 OGSVBDATCAZIAB-IBGZPJMESA-N 530.098 5.956 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(Cl)c1Cl 2283577830 NYKVZSZGGFJKPV-GFCCVEGCSA-N 506.392 6.744 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1Cl 2288345199 PZUCNKZLTNMSBK-NSHDSACASA-N 554.248 7.390 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(Cl)c1Br 2295275904 ZWUHXHVVGDCYEQ-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2295483080 YVNHJQFPSTYSDU-UHFFFAOYSA-N 598.011 5.218 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1Cl 2296506903 KMORUQHOFFOHIP-RUZDIDTESA-N 502.039 6.330 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1 2297100619 VAEXQOWMCXJHRT-UHFFFAOYSA-N 718.048 7.488 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1Cl 2297451094 JANANCSLNHAGFW-UHFFFAOYSA-N 518.404 5.409 50 10 KKGE Cc1nc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299490536 ZITUZJNVUVSRFR-MRXNPFEDSA-N 532.095 7.040 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 2300296582 NUXFBAJMHMLSSL-SCSAIBSYSA-N 528.289 5.907 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1I 2300949339 KSAUSBONMGYPMT-LLVKDONJSA-N 553.428 6.403 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312747840 NCKUKYKAVKQTTF-YYWONIAYSA-N 523.910 6.287 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(C)c3)c(I)c2)cc1 2313568178 PDPAIPAGQJUCON-UHFFFAOYSA-N 508.359 6.033 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571224 QFLLWXDGZLFAOA-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cc1ccc(COc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1 2313571443 WNKOEGVRHLUTID-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1 2313676665 QGWOGMPMNXEVCE-UHFFFAOYSA-N 525.388 5.923 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2314482241 DAXOSIGLAKNIJK-UUWRZZSWSA-N 622.750 8.493 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593028 GBTSGCHUCDTZFG-VWLOTQADSA-N 518.038 5.481 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314618777 UGDPUCOOKZDLQJ-JOCHJYFZSA-N 550.659 5.579 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 2331410961 XMUKUJCUQGQASJ-SFHVURJKSA-N 508.043 6.443 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331417459 RJDDKFFYDSEHEI-UHFFFAOYSA-N 501.402 6.061 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(Cl)s2)cc1CSc1nc(C(F)F)cc(C)c1C#N 20568894 CAGWSOTUCLPOPM-UHFFFAOYSA-N 506.987 5.979 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651810 MXDMYTJTHAUJIT-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38681964 OXFBVPDFYACCCS-MUUNZHRXSA-N 516.569 6.231 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 38685535 WLSXHSFELNWCHU-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC 40858563 ULEAJDWAVKFPGC-SFQUDFHCSA-N 502.365 5.871 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100141854 HIUSHTLXFZTLLT-UHFFFAOYSA-N 558.498 5.276 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c(Br)c1 100210366 YTQQHWTTYGIBKF-UHFFFAOYSA-N 570.322 5.412 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 100232153 APCANEINNXODIG-XZJBEKIMSA-N 529.406 5.530 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1 100453133 PTTKFUSNHMORGA-XQFNZYGSSA-N 564.423 5.987 50 10 KKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)nc2ccccc21 100883578 UZEKZTOMPNTJMZ-PLRJNAJWSA-N 542.042 7.723 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241105 RSVUTOVYWVVQPP-NLTRVXJZSA-N 504.011 5.091 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241212 SLAPVHXWSJZIDL-IDJUBOEBSA-N 518.038 5.481 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101307173 RGLATUZHMRDSIF-SSEXGKCCSA-N 540.616 5.760 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101333472 DIRVJWGIGNULQV-ZTKZIYFRSA-N 514.629 6.865 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 101335592 BLRHLWNXFLJQMV-TURZUDJPSA-N 538.648 5.655 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101336671 PEYYESBKLAOPNZ-RDRPBHBLSA-N 560.654 6.658 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 101340440 QPDMNVBRZAYUPW-RDRPBHBLSA-N 560.629 6.568 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101368031 NWYXXYNZBOERMN-GDLZYMKVSA-N 549.023 6.120 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCC(C)C 101374405 ZYFMJWSZZHGMEQ-UKPGIYTDSA-N 556.659 6.444 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1 101378042 TYIAVZOSUNFSDV-PMERELPUSA-N 526.633 6.872 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OC(C)C)cc5)ccc43)cc2)cc1 101378711 NDJILTGOFSSLOY-YTTGMZPUSA-N 546.623 6.799 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381376 FHGCCGOQROPJQM-PMERELPUSA-N 591.878 7.592 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381847 GGEWJRDHJRTBKQ-NHRFMIRVSA-N 560.650 6.980 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383911 CZJASZUSMGCGKK-MNAQKMTRSA-N 564.613 6.558 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384341 BDFTXUNLEUYYCI-UUWRZZSWSA-N 556.593 6.924 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101388884 PARPUYFXPAJXQZ-NDTAFNIQSA-N 597.042 7.294 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101393699 REFNWSMDQNIVOK-GDLZYMKVSA-N 528.520 6.023 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OCC 101395384 VUPCFNYMHWWFCR-GDLZYMKVSA-N 611.522 7.797 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OCC 101395691 NDEQUFAPXMBIQM-SSEXGKCCSA-N 625.549 8.187 50 10 KKGE Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)cc2)cc1 101396990 FJRAYXQPFHWNHJ-XLNRJJMWSA-N 608.097 5.763 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 102932872 WLVRLLXRXAGLOH-VIZOYTHASA-N 537.186 7.333 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102933110 KPQQJMDGUHINRC-LDADJPATSA-N 576.790 6.929 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806561 DPVVDNSRMDNANZ-WOBLBKRWSA-N 607.758 6.846 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1 103888272 MPVMDVAXALVIAO-MYYYXRDXSA-N 541.445 7.434 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)cc1Br 128770451 BAVQDZVMAQCECK-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1Br 135308051 BIYKGVWCVRSODM-CQSZACIVSA-N 513.849 6.467 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 163260169 GWFJVGZVCWLBJJ-QXPFVDMISA-N 642.606 8.420 50 10 KKGE C(=C/c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)\c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 195814523 HHWROSSJOANZTG-HEFFKOSUSA-N 730.872 10.845 50 10 KKGE C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C 196237419 VPIXCEWVXNLQCR-FIRIVFDPSA-N 582.914 9.058 50 10 KKGE in-vitro CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 205782628 MUJOXRGACXIILZ-AOYMVWLXSA-N 662.768 5.643 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@H](CC)C2 209399652 BLCDWQZRCRXKHM-IYWFSZBXSA-N 542.579 7.264 50 10 KKGE C=C1/C(=C\C[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212164342 NUBKILNTQUZPAJ-VGPBKESZSA-N 661.173 11.636 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214335061 KSKKEWQJQUKBLB-MGVXIEOLSA-N 542.639 6.682 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214400134 ODEQLZOIZDZVGL-QXPFVDMISA-N 586.692 6.480 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214427827 QDRVVFMJESMVAI-USHMODERSA-N 568.699 5.977 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)c(F)cc1F 235863769 RRHQGGZLILZJBO-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 252596765 CMKHNFZCLXQGQT-PRPSFYSRSA-N 519.561 5.253 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 252617594 KWSCMEPWIIIRPL-DDKCEGTQSA-N 565.432 6.380 50 10 KKGE CCCCN(CCCC)c1ccc(C=c2sc(=C(C#N)C#N)nc2-c2ccc(OC[C@@H](O)CCl)cc2)cc1 254372286 FWIPUONHRQPAGE-SANMLTNESA-N 549.140 5.222 50 10 KKGE C=C(C)Cn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 254443008 JJQOAGDKDICZIE-UHFFFAOYSA-N 542.621 5.251 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@H](O)/C1=C\Nc1cccc(N/C=C2\C(C)=C(C#N)c3nc4ccccc4n3[C@@H]2O)c1 254703201 QKPXRAGTEDXSSD-VKIYOJJKSA-N 578.636 5.981 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019062 IXUUMEXFTFGSQP-PXRWZLGFSA-N 881.962 8.935 50 10 KKGE CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccn1 306220563 UXWJBBSBHHMJGP-UHFFFAOYSA-N 524.615 5.939 50 10 KKGE CC(C)O[P@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOc1ccc([P@](=O)(OC(C)C)c3ccccc3)cc1OCCOCCO2 334162564 PYPYLMMGDZOGCY-CDKYPKJRSA-N 724.724 6.257 50 10 KKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(Br)c1 382698499 ZEGRTRJPQCNCPN-FUHWJXTLSA-N 514.201 5.545 50 10 KKGE C=C(C)[C@@H]1CC[C@]2(C(=O)O[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 642771826 HINVGGDDFIFLCB-IQVUHGGSSA-N 687.094 11.673 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705608242 FQRJEZLZZOHAAQ-UHFFFAOYSA-N 575.853 5.990 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(I)c(Br)c2)sc1Br 721591149 CEQXQNDYTXYESY-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Clc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c(Cl)c1Cl 721612253 ICYXRCSKNFYUIF-JTQLQIEISA-N 545.256 7.996 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 725432146 MFAQUWFCFIPYES-AJQTZOPKSA-N 747.802 5.952 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccco4)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 1083894901 JDIKCLXVBPEBFX-UHFFFAOYSA-N 578.031 6.618 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 1083940561 XVZBKPIOIIJQJQ-DEOSSOPVSA-N 810.208 6.442 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1Cl 1083993123 IPHGLNREMPLBPD-UHFFFAOYSA-N 574.802 6.432 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 1084116788 DFERMNCWVYPGED-UHFFFAOYSA-N 558.685 8.373 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 1084134134 WTPOEBQUTRKSBE-VCHYOVAHSA-N 607.673 7.140 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1084466035 INDVCFSMIZWFCS-NDEPHWFRSA-N 591.502 6.553 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 1084553879 IOCQWUXCZBOFEZ-RUZDIDTESA-N 536.426 5.262 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2OC(F)(F)F)C1 1614626998 TVXSQKKPZHSBFF-DOTOQJQBSA-N 505.274 5.372 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747048 CIXARLCSSAGIIB-CQSZACIVSA-N 528.411 6.486 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749561 MYIQCRVOMAUFFT-UHFFFAOYSA-N 588.797 7.055 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865688241 NTFOREWGKPJKQW-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OCC 1865689110 JXZBPSDNDKLZGH-AREMUKBSSA-N 543.023 6.217 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865694877 DOPCOYBWLRCCDB-NDEPHWFRSA-N 573.068 7.187 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865695306 BHTQEPUQZOAXBR-SANMLTNESA-N 504.606 5.819 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703079 MPSFJUPUTOPNHE-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703451 VWHRKOFUDNYHRG-NDEPHWFRSA-N 559.497 7.296 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703676 YUFAAPDRQAQXNO-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704665 BFIYYOSCMSOTCK-MHZLTWQESA-N 541.051 6.592 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704699 CEFZEGBPYPPEBJ-VWLOTQADSA-N 545.426 6.569 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865704792 DYNKWWAWJFEZTL-GDLZYMKVSA-N 554.606 6.294 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865705276 QHVDLOOROHVLHN-DEOSSOPVSA-N 517.416 6.851 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705777 FRCZRQATWCVFPN-HXUWFJFHSA-N 502.333 5.456 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(Cl)c1O 1865707279 SJYXPCRJHISJTQ-XMMPIXPASA-N 512.997 5.801 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707558 ZNMAMSAEXPJEJT-DEOSSOPVSA-N 528.996 5.501 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865709586 YCHCBPYRCOSIHJ-NDEPHWFRSA-N 578.113 5.401 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712973 NGYMRRBDLAYRBA-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975935 VQPFOAHBZKERRA-LOSJGSFVSA-N 552.494 5.834 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867137824 GKXNYKAEXLTRMO-LMSSTIIKSA-N 570.114 6.810 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc(Oc5ccccc5)cc4)CC3)nc(Cc3ccccc3)n2)cc1 1868206956 AMXXMDZQRBRZKS-UHFFFAOYSA-N 570.722 7.503 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc(-c3ccccc3)n2)cc1 1868364962 JIFBCYQVCJOWHL-UHFFFAOYSA-N 531.645 5.904 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)c1 1868434199 XTUKKWVLDQJRFD-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 1873792402 AZCXPJREDZIFJL-STBIYBPSSA-N 504.027 5.463 50 10 KKGE FC(F)(F)COC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583307 IKADJIFBNUNWGQ-GSVOUGTGSA-N 525.804 6.051 50 10 KKGE CCCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924589261 BESSBSHMHLGSCO-SECBINFHSA-N 525.970 8.222 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc(I)c1 1925572147 YJXBBXSESHKQJP-MRVPVSSYSA-N 526.846 6.906 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2(Br)CC2)c1Br 1956592352 BGPDNPYQNCEFAC-RXMQYKEDSA-N 532.715 6.399 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccsc2)c1Br 2025778917 AHAYYKOPGKWPBO-VIFPVBQESA-N 568.748 7.282 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Br 2025781305 AMZYKGBQVCYLRJ-ANYMCVJYSA-N 555.728 5.781 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1cccc(C(F)(F)F)c1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2042446544 GOPJQOVJFYPZAU-VZUYHUTRSA-N 598.613 7.963 50 10 KKGE CCO[Si](CCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)(OCC)OCC 2059580577 SKJRQCKZYWXEFU-UHFFFAOYSA-N 610.761 5.391 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2086377972 KHLMNAGSOJYXCA-ZDUSSCGKSA-N 502.009 5.998 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(F)cc2I)c1Br 2138863843 NCGIXJZCROPHDQ-CQSZACIVSA-N 518.389 6.592 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CS(=O)(=O)C1 2141472305 CAANLPYJMGOUFP-JTQLQIEISA-N 604.778 5.607 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141475101 JACAWRXYZSQFBZ-STQMWFEESA-N 584.766 7.132 50 10 KKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(C)cc1Br 2142288566 SXVRDNGIRVDXMN-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(I)ccc1Br 2167647558 QYDOTOHEHZDYMB-CQSZACIVSA-N 515.027 5.079 50 10 KKGE Clc1cc(Cl)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404791 CKYRBKKELPKTQH-ZDUSSCGKSA-N 587.158 8.372 50 10 KKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1ccc(Br)cc1I 2207257415 BJONZZFQLJTNAL-CQSZACIVSA-N 528.409 6.079 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@@H]1CC1(Br)Br 2224802797 FUNGLVFCMCZPEJ-LURJTMIESA-N 522.381 5.025 50 10 KKGE Clc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)ccc1I 2229155879 XYDYSGTZCBOFOR-LLVKDONJSA-N 534.844 7.039 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Br)c2Cl)cc1I 2269546345 SISFRIDCZULJOM-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE Fc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(I)c1 2277962586 JFCIAMTYEUEXJS-ZDUSSCGKSA-N 518.389 6.478 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 2294168606 UUQQTWJBHGUIDK-UHFFFAOYSA-N 515.616 8.510 50 10 KKGE Cc1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295275018 QLACLHYEWRAAON-OAHLLOKOSA-N 546.322 7.568 50 10 KKGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1 2296463514 FUHMTPPNCBMUAR-HDICACEKSA-N 615.152 5.050 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296506896 KEBFYLHKGYTIAY-QHCPKHFHSA-N 556.902 7.329 50 10 KKGE O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)C(=Cc4ccccc4O)NC(=O)c4ccccc4)nc3c2n1)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2296646546 NSFMTNSQZOBLQC-UHFFFAOYSA-N 794.828 6.037 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1csc(Br)c1Br 2299510257 QEESFEOAODWWLA-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1Br 2300952984 CYIBANYKNWJVEM-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Clc1cc(I)c([C@@H](Br)Cc2ccccc2I)s1 2300953083 FILNLOYWKQLMLP-QMMMGPOBSA-N 553.428 6.289 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@@H]21 2312064018 OACXRLAIHJSMKI-IXAVYGABSA-N 522.300 7.063 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl 2313521543 VWRQDHDQOSXDIZ-UHFFFAOYSA-N 580.647 7.359 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521572 XHCNBFINHOURDJ-UHFFFAOYSA-N 536.382 6.189 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545749 CGHZSKWCWAKNQO-UHFFFAOYSA-N 615.753 6.700 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 2313630845 WMFBSDCGYLAFCC-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314456769 ZOFXMEBQFLCWPK-OAQYLSRUSA-N 572.078 7.425 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C1 2314476072 ICHWGOBIVMRYHR-ZEQRLZLVSA-N 576.726 6.157 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@@H](C)C2 2314571015 AQDRBYRPTOTMHX-CQSZACIVSA-N 562.997 7.527 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594097 YZGUGUANYDKRPV-NIYFSFCBSA-N 576.516 6.151 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314617058 PZYXKNAQUSCOQM-UHFFFAOYSA-N 589.095 7.307 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618585 QBWDWEPOAWJSJA-JOCHJYFZSA-N 514.585 5.901 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314618931 WYWVTQKNDLBGFT-SSEXGKCCSA-N 570.649 5.890 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2sc(Cl)cc2I)cc1Br 2316599362 PMZDHFHULCCKFC-SNVBAGLBSA-N 500.385 6.889 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331362690 MKAIYCMSGDBXCC-UHFFFAOYSA-N 517.478 8.075 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331393809 TZRQURKGRHYULO-UHFFFAOYSA-N 502.379 5.652 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2337099554 XAWBUKAPHUPTAL-QMMMGPOBSA-N 576.732 7.966 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2353075721 FBTSUOWGGBMTQI-OAQYLSRUSA-N 515.072 8.128 50 10 KKGE Fc1ccc([C@@H](CI)OCc2ccc(Cl)cc2I)cc1 2365636694 WRZYEIIJZASPRX-OAHLLOKOSA-N 516.519 5.777 50 10 KKGE COc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc(Br)c1O 9693517 XOCLTOSJCYTGTA-HNNXBMFYSA-N 506.809 5.036 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)c2)C1 29491756 OZWYLNAFXAYWPP-ZRUDTFONSA-N 579.726 5.429 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38688581 ZXUGCPLZUKIFRP-AREMUKBSSA-N 512.949 6.397 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)ccc1Br 100061573 CKBTXLFGADFZQR-UHFFFAOYSA-N 601.089 5.041 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 100236906 GKWYAWANXHAHPD-PKEXHZLISA-N 546.407 5.843 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 101367441 WRSVUFVNPSVHOK-GEFUHLBYSA-N 566.585 6.004 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)cc1 101370654 JYNWWHYOJUPZMZ-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 101377690 ZUGIDJZNKCOSGT-SSEXGKCCSA-N 512.606 6.238 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379757 AWUOZOFAMDSQPI-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380471 CZNOOGUIDIXUEZ-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 101383361 ZFCSCQXTTVLDIA-LJAQVGFWSA-N 621.904 8.062 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101392086 ATZFZUNSDGITHS-DEOSSOPVSA-N 578.279 7.916 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101393594 KYZMBLRAEGIWFW-QFIPXVFZSA-N 576.230 6.210 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 101399599 BLBRASKHFVCPKB-WJOKGBTCSA-N 623.130 8.278 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399714 ZCWXNRPJFMXRKL-UMSFTDKQSA-N 600.671 7.773 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600006 QDXUKXBMIPIIQF-OCSSWDANSA-N 534.878 5.891 50 10 KKGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609864 KXXDXZBSDDIALK-JGRMKTMXSA-N 535.600 5.235 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 101712882 BQRNGHZNWLIIQJ-IPBVOBEMSA-N 528.219 6.417 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Cl)c1 101727229 NZRADDRYJZCKOY-WKULSOCRSA-N 538.094 6.684 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1C 102059913 TVJWERMRDIRKLW-CCVNUDIWSA-N 534.663 5.182 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 104768879 WTDYLPJJKIEKNO-KEIPNQJHSA-N 626.580 6.636 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 105633136 LVQJUQFUXZXSIJ-OEAKJJBVSA-N 501.590 6.075 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 110554015 SEGYMPKIMYJRAT-NDZAJKAJSA-N 535.600 6.596 50 10 KKGE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 137668864 MJDGUHJEIVTMQZ-HNPZWBGFSA-N 615.506 6.327 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)[C@H](OC(=S)Oc3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1 195912541 QUXFYGIIXJYECI-QGGAYTEESA-N 776.077 8.261 50 10 KKGE in-vitro CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205650601 OZMCZTDBUCNPPC-GRIRWOKCSA-N 510.590 6.101 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214256348 FVZSRVYTJQRIPR-ZPPBPVQNSA-N 508.622 5.965 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214346459 SBBZUEFRTSUPPL-COEJQBHMSA-N 542.639 6.081 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 214359771 AAGJTLMROUEKEH-IMRQLAEWSA-N 506.606 5.863 50 10 KKGE O=C(NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1 218015545 LDXQDYVZZSCNHP-XPSQVAKYSA-N 810.901 6.840 50 10 KKGE biogenic Clc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1I 232342756 MBPXNFHAHHOYCZ-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254348631 DMICSMWYRNXMOS-CEWHBDBFSA-N 506.558 5.414 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 254583960 WGLINWYOEGAKIY-UHFFFAOYSA-N 570.682 5.733 50 10 KKGE CC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@@]1(O)[C@H]1Oc4c(O[Si](C)(C)C(C)(C)C)ccc5c4[C@@]12CCN(CC1CC1)[C@H]3C5 256437518 JSASBOULOIZLBF-RMRSZESYSA-N 567.887 6.438 50 10 KKGE in-vitro C[C@H]1CC=C(C=O)[C@@]2(C)CCC[C@@](C)(C[C@H]3O[C@@H]4O[C@@]5(O)[C@H](O[C@@H](C[C@@]6(C)CCC[C@@]7(C)C(C=O)=CC[C@@H](C)[C@@H]67)[C@@]56CO6)O[C@@]4(O)[C@@]34CO4)[C@@H]12 256447882 UXKREJHATGOFIH-NDXXGESTSA-N 696.878 5.134 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 263632128 DRAPVQLJUFTJIP-UHFFFAOYSA-N 510.546 5.023 50 10 KKGE Cc1c(I)cccc1-n1c(CCl)nc2cc(I)ccc21 312844164 VODXGQHXOZOHKX-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585699 FAGFLKDXAVYVFV-LDTQXXFPSA-N 672.973 7.366 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 724910300 SAXLZMUWSHSZBP-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1OC 725407924 HIIFWWAANAKXIG-UHFFFAOYSA-N 595.121 5.419 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 725438817 KGCXQMWKEQEZAO-UHFFFAOYSA-N 652.169 5.989 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 1083924776 UPTUCVYVCJQBPL-LPYMAVHISA-N 552.412 6.431 50 10 KKGE COC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)sc(/C(C)=C\C#N)c1C 1084114592 HYBUVFKNLUWBCY-UKVBVZPVSA-N 582.704 5.991 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Br)cc1 1084300319 ATGRLNJOMHYSPA-LICLKQGHSA-N 625.144 8.042 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc(F)c3)cc2Br)cc1 1084436219 BBTLQCQPLHQCJQ-VWLOTQADSA-N 573.459 5.929 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)c(C)c1 1084459255 JUTVZLCDIIKSDH-UHFFFAOYSA-N 563.123 6.094 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084541894 XNQQSBBOEMSNTJ-UHFFFAOYSA-N 559.475 5.335 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(I)cc1 1084581044 IDOZVEJYNZEGOB-VWLOTQADSA-N 584.454 5.571 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084631911 ZKXVXFVMIQRAMH-UHFFFAOYSA-N 514.689 7.375 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748709 NHTSLZNRAWFYCN-UHFFFAOYSA-N 512.009 6.482 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683804 IQEOLFUSLAOJRC-HSZRJFAPSA-N 514.969 5.193 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(Br)c1 1865684222 NRKSVULJMRDLCZ-INIZCTEOSA-N 527.703 5.723 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687347 PBLMQXDBPOPJQW-LJAQVGFWSA-N 520.633 5.998 50 10 KKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689351 QEFMZUNFPFSVER-QHCPKHFHSA-N 513.425 5.968 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692041 HSVJXCFTKOWNGI-SFHVURJKSA-N 555.340 5.501 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865693099 RNQPKFXGTCJWEO-QHCPKHFHSA-N 571.903 6.646 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865695699 GRWBGESVYVIDOF-NDEPHWFRSA-N 551.647 6.129 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Br)c1OC(C)C 1865698234 NYOPRXUJXQFZJN-KRWDZBQOSA-N 550.335 5.063 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698397 SFQTUCOOBLBVNQ-XMMPIXPASA-N 512.953 5.191 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705243 PGIFMNZQNRKZGG-NDEPHWFRSA-N 538.623 6.137 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706181 PLTQEFAGHLXLHT-QFIPXVFZSA-N 518.360 6.032 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865706885 HUDCRAVBZMZHBF-SSEXGKCCSA-N 523.640 6.784 50 10 KKGE CCCC[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866633315 CZZMLHYEDQZSRX-GMAHTHKFSA-N 586.139 5.064 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866690233 QVABLTHRSMZXFT-WUFINQPMSA-N 524.621 5.486 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866956693 XMUSGFBHQFFNJZ-IZLXSDGUSA-N 529.662 5.599 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867003204 CBZOFKUMHIKWDP-NSOVKSMOSA-N 531.653 6.047 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4ncncn4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432995 DMOLXFQRBWMBBO-UHFFFAOYSA-N 501.019 5.683 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1 1924596198 KNAOGGAVQZFEFZ-LLVKDONJSA-N 531.933 7.445 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924601718 ZEUAAPHVAXWGPO-VIFPVBQESA-N 598.774 7.291 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2sc(Br)cc2Br)n1 2010561504 KMZUSMNAOPQNBR-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2013840543 XUKBUCXLDZIXPH-LYFYHCNISA-N 511.899 6.287 50 10 KKGE C[C@@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2017755368 NOGLOSGIZMPQTD-WWJNBCINSA-N 509.883 6.039 50 10 KKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2019621331 ARNWUNQPNAWGTO-XVMARJQXSA-N 511.899 6.287 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 2083318502 QBNFWBHZMCJOMY-LLVKDONJSA-N 538.324 7.435 50 10 KKGE Clc1ccsc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494574 MKMBRZJJPWXAHE-JTQLQIEISA-N 603.193 7.936 50 10 KKGE COC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500653 PIIYULNOYYDGMQ-VGIXGZPDSA-N 570.739 6.455 50 10 KKGE CN(C[C@@H]1CCCN(Cc2ccccc2)C1)c1c(CBr)ccc(Br)c1Cl 2098117326 OKTIWJYEYXLPGZ-KRWDZBQOSA-N 500.706 6.346 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCn3ccnc3C2)c1Br 2108963387 UVADILHLCHSBPR-MUWHJKNJSA-N 533.909 5.931 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1C2 2141476820 HKTLWZPXWQMHHR-YNIIMROSSA-N 536.327 7.453 50 10 KKGE FCCOc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2189516855 GFXUZUHGHFPBHS-JTQLQIEISA-N 507.444 6.759 50 10 KKGE CCCCCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 2197255314 FDJFLJVBWUAREW-MRXNPFEDSA-N 528.091 7.332 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCOC2)C1 2206397128 FJKZIWSCLHAZMU-MBWFCSIISA-N 552.326 6.833 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ncsc1Br 2213491000 ZCZJNHQZNFKNJM-MRVPVSSYSA-N 508.830 6.054 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)c(C)c1Cl 2224303938 CRSNIMXABMYMPD-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE Cc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)ccc1I 2225615389 GYCHSPUICWEMID-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225635980 YNVYZWUYMVIWHK-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232515316 ZXRMNVZAWQAWCR-LLVKDONJSA-N 545.256 7.996 50 10 KKGE Fc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277959333 RKUYOCLAIFKTSR-LBPRGKRZSA-N 515.840 6.792 50 10 KKGE Fc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(I)c1 2278100374 IYVNYASPFUATCP-CYBMUJFWSA-N 532.035 6.953 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C(=O)OC)c1C 2296790196 VWRADIMJVLVXKM-UHFFFAOYSA-N 509.653 6.318 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521434 NWJMRECKAWUCJA-UHFFFAOYSA-N 536.382 6.189 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313557203 WYIBDHTWBUXELR-UHFFFAOYSA-N 579.292 6.538 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(F)c1 2313566800 ANLPILRPGAAUDN-UHFFFAOYSA-N 597.428 5.274 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1 2313676710 WGWRZXDXPHDGKY-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CCOc1cc(C(=O)NNC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc(OCC)c1OCC 2313682736 JNVUHXAMIUBPIL-UHFFFAOYSA-N 585.686 5.452 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314453062 SOIIRNPFDZOTMF-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314618222 JPOAOIVMQFRHPI-UHFFFAOYSA-N 566.702 6.434 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618430 NLOPGWCPGBXVMJ-UHFFFAOYSA-N 537.399 6.357 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314618612 QKQVWBNWTONPLH-AREMUKBSSA-N 522.605 5.098 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737204 RELRIFHSCGUXID-UHFFFAOYSA-N 535.600 5.610 50 10 KKGE COC(=O)C(C#N)=Cc1cccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 2314760150 IKGRLQRFXKARDM-UHFFFAOYSA-N 509.556 6.018 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 2314785073 AHROFMHZEIAQDC-UHFFFAOYSA-N 563.448 5.932 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 2316172241 RKZVUDIRKIJZDY-LLVKDONJSA-N 537.962 7.534 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2331397177 QOEZLTOVICNEPF-UHFFFAOYSA-N 510.503 8.404 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCCCC1 15230882 KLXIZHGSUHWWJY-PLRJNAJWSA-N 523.036 6.691 50 10 KKGE CC(=O)Nc1cccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 33355030 WCFJLNDOEKIMAF-QYVLQNAGSA-O 569.665 6.929 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684494 RKWFVRJVXNTTOZ-WRONEBCDSA-N 512.606 6.190 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 40530305 VZWDSGTXZIPLJT-QHCPKHFHSA-N 502.979 6.309 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 58894318 KXESTIPALDFEEO-LMLUNKDASA-N 526.633 6.180 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100182084 HVNKZBYPQNCFPV-UHFFFAOYSA-N 570.509 5.256 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 100452032 OVEDVVSWMYNRMG-BCWDXYJZSA-N 618.269 5.468 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243041 SHAFLAPCJMRCIM-RZYCCMLOSA-N 550.511 6.859 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101368937 QAJFQSDEDWZCFY-RUZDIDTESA-N 535.394 5.684 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 101372187 DRVISRATZUDZQI-HKBQPEDESA-N 542.632 6.165 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 101372347 NWOWNRZMJNIZAM-NDEPHWFRSA-N 533.024 6.745 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382772 UHYBCGVSGXYTED-PMERELPUSA-N 553.014 6.755 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)oc2ccc(Cl)cc12 101392091 SAQJNSLFVLMDKP-QHCPKHFHSA-N 525.775 7.139 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)c(OC)c3)c(C)c2c1 101392938 YIJKUNAMYMIMHT-MGBGTMOVSA-N 586.644 7.329 50 10 KKGE CCOc1ccc(/C=C2/CN(Cc3ccccc3)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 102424014 NIMAEIGAJWYFAX-LCEAGFESSA-N 519.645 6.145 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)n1-c1ccc2ccccc2c1 102471086 YMUNARPUNTVGMU-XKZIYDEJSA-N 526.643 5.806 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 102666273 MPUBUNPYPNHLHK-IQQNDYETSA-N 528.848 6.712 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(F)cc1 103796318 QRGBJWJJEKWRSM-VFLNYLIXSA-N 590.243 6.839 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C)c1 103796713 ZWQIKRGYPGGCTK-XODNFHPESA-N 619.253 6.460 50 10 KKGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104994908 VNQNEWPTPSEFOD-BXVZCJGGSA-N 534.454 5.742 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 128857331 LXLLLBAEHQEMGU-JTQLQIEISA-N 554.323 7.182 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 150468109 HKZYUGXJFMHJRE-VXLYETTFSA-N 629.448 6.669 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)cc2)sc2c1CCCC2 150485654 ZMAPOLRBIYYGIT-QBOLRRCJSA-N 639.774 6.861 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1 163805933 IFJSBVFJYKIYQO-IPBVOBEMSA-N 625.086 7.202 50 10 KKGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)C(=O)NCCSSCCC(=O)O)c(F)c1F 195813653 FJKANRXSLHOXFW-KWXZSHJGSA-N 979.159 5.621 50 10 KKGE in-vitro CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1OC 206541051 NGARQVZYUKIOHE-UCQKPKSFSA-N 546.620 5.659 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214386385 YVTYXOKHUXWLOD-QRQIAZFYSA-N 570.605 5.625 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 214402504 LOWXJGFEZYCQFC-QHDYCIAZSA-N 638.699 7.101 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)cc1Br 235811903 NVGZIUITLCOGOX-CQSZACIVSA-N 623.746 7.371 50 10 KKGE CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 248156356 ISXKXFGJQNACAU-QGRDHJFWSA-N 574.988 9.282 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc3ccccc23)cc1 254288003 QSYBZXKTMBUXMO-UHFFFAOYSA-N 518.569 6.140 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)[nH]n2)cc1 254310523 SLQFLZSMPUEILV-UHFFFAOYSA-N 524.665 7.159 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(C)c3ccc(C4CCCCC4)cc3)cc2)cc1 254313427 SHQJYWIDWUQBPG-UHFFFAOYSA-N 519.667 6.088 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](CCI)[C@](C)(CCI)[C@@H]3CC[C@]12C 254558241 KXOSGSAMSSIDCR-ITPLWYTJSA-N 626.489 9.574 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 254741078 GOJPHYVSWMPUCW-UHFFFAOYSA-N 528.682 5.340 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OC 254743730 GDQLQEOPCCGGJB-UHFFFAOYSA-N 562.717 5.284 50 10 KKGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254743910 PEYPYAZFEBZSGG-UHFFFAOYSA-N 544.563 5.807 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CC)cc3)cc2OCC)cc1 254816865 VDFGNOJDNXGLMQ-UHFFFAOYSA-N 504.583 5.185 50 10 KKGE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019024 GZSHTIMVPSVPCP-CFNWKRDHSA-N 548.308 7.055 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 256028342 GLSCNHSCYUXOGA-UHFFFAOYSA-N 539.480 5.789 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 256825140 QNPRMZLAAWKAPQ-ODMCWUKSSA-N 787.990 7.753 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@@H](I)C[C@@H]21 504219155 PJELOCOCQXOYAR-WFGDTNETSA-N 841.943 5.389 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1 1083900064 OZSBHQMSCVAKRC-UHFFFAOYSA-N 689.981 8.452 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1 1083923917 PVQFDIAGWHVVPN-LICLKQGHSA-N 627.693 7.775 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 1083947073 IRVXDKVRIAMPBL-KOEQRZSOSA-N 540.461 7.290 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 1084018834 AZIREXICMYQSQE-UHFFFAOYSA-N 529.641 6.765 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1084318598 XAKIJENBBILGEY-UHFFFAOYSA-N 518.400 6.589 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 1084334477 INTVHRASJQSDAP-UHFFFAOYSA-N 721.457 7.088 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084429446 SCGDHLYIWOVJKL-UHFFFAOYSA-N 590.573 7.078 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 1084575180 QPCGYXIVAZQRHL-UHFFFAOYSA-N 556.732 5.403 50 10 KKGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 1614706311 VHLMESSWFHPBKR-GHTZIAJQSA-N 508.400 5.026 50 10 KKGE C/C(=N\NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526745 RWWFQDLUYGDPCH-LVVSHJNNSA-N 574.681 5.253 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1Cl 1772747875 LPKUSXBWSDQETI-UHFFFAOYSA-N 515.353 5.834 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(C)c1 1772754961 CPNMFTNVJCMQNB-UHFFFAOYSA-N 631.017 7.755 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434909 YQVJBMURKHNOBB-WRIQTCEPSA-N 649.379 6.032 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OCC 1865687282 NOCQSZBBRXVVSY-GDLZYMKVSA-N 568.649 6.542 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865690215 LOPNMFCDYXTJBH-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690704 ZENNWTCFBPODGT-RUZDIDTESA-N 547.442 6.531 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865691654 XTWVHJVMBMWQOW-NRFANRHFSA-N 529.822 5.612 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1OC 1865695190 MGLPMAOXRABENV-RUZDIDTESA-N 573.447 5.936 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1O 1865695691 GMHAFAGFYQHKCF-JOCHJYFZSA-N 563.839 5.947 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865696402 GEHRNKLHORGJCX-FQEVSTJZSA-N 574.273 5.585 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701230 PLKQOUXPPBAKOD-GOSISDBHSA-N 564.665 5.596 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701428 VNKPLLWJEIGUOP-HSZRJFAPSA-N 514.969 5.437 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701490 WUJNNAMEZCSORU-RUZDIDTESA-N 508.578 5.151 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703252 RLUQTHXBCXAJJN-AREMUKBSSA-N 531.443 6.847 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 1865703573 BOUNKNWXSRNSNT-LJAQVGFWSA-N 575.496 6.969 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703926 IURYBBOGLQVAHC-JGCGQSQUSA-N 546.630 7.490 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1 1865704898 HIBPWSDBRSRWPZ-DEOSSOPVSA-N 577.424 5.848 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705511 XLZOMSDLVFNDMW-MHZLTWQESA-N 504.590 5.630 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711620 CVRNBKCZZRBWBL-JOCHJYFZSA-N 515.397 5.045 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714595 MWYLQCWZNXXUCF-SANMLTNESA-N 549.428 6.682 50 10 KKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866128199 CDCWMQAJJKBOJP-ASSGYOTOSA-N 561.432 5.108 50 10 KKGE CC[C@@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866933121 ZHOQJXGZDNNPMW-HSZRJFAPSA-N 521.017 6.277 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005369 VNYRPOSBAXYESE-RRPNLBNLSA-N 518.082 6.553 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)n2)cc1 1868320942 QWJKFZKJTKYONM-UHFFFAOYSA-N 545.672 6.213 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H]1C 1868544465 GJPRAIYSFFCKIE-SZPZYZBQSA-N 530.742 6.303 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Br)cc1 1872729012 IGSFLXUPBNKPFN-VCHYOVAHSA-N 523.339 5.780 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2Cl)cs1 1872746182 WRIRHUKTAJPGPM-OQICMLARSA-N 511.990 6.164 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872780551 CEJWZVKVWBHBOX-GZTJUZNOSA-N 517.876 7.868 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCCc1ccccc1 1872794198 OOUNUDRALVIRKY-KOEQRZSOSA-N 508.687 8.110 50 10 KKGE C[Si](O[Si@@](C)(O[Si@](C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1933252988 XQVNZAVBAUQQHU-MVRBIKRMSA-N 683.117 5.774 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=Cc3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c2C)c1 2053611391 KPXDVQWTGFBQCK-UHFFFAOYSA-N 607.575 5.585 50 10 KKGE C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@@H]1[C@@H]2C 2060323920 LPXKEZSZAHHYSB-ZFPSZWNZSA-N 544.893 8.002 50 10 KKGE C[C@@H](C1CCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493649 FICFAUDMKCSFJI-KGFZYKRKSA-N 568.767 7.609 50 10 KKGE F[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501189 WRGZWMUHLKNNFH-DGAHNEANSA-N 572.730 7.311 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1ccc(Br)cc1I 2086139341 NERYBDVOECYNES-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Br)cc2I)c1Br 2207273794 XOESTBQTMXXKMI-SNVBAGLBSA-N 560.398 7.225 50 10 KKGE Brc1sc([C@@H]2C[C@@H](Br)CC3(CCC3)C2)c(Br)c1Br 2222471963 BGMYASZEIUDQSY-HTQZYQBOSA-N 521.938 7.237 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277966319 RRQWZCUEPPGMFW-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1 2294187372 GLFMNVMSALEGGP-UHFFFAOYSA-N 588.829 6.477 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296506829 GZUKVOHJCNMDHX-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3)nc12 2296544494 OWYJTUNGMROLIZ-UHFFFAOYSA-N 512.374 5.440 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@@H]1CCCO1 2296705950 BZABBPOVUIHSDM-LJAQVGFWSA-N 539.035 5.974 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@H]1CCCO1 2296707750 FWYUTOVAEYRSSH-MUUNZHRXSA-N 573.480 6.627 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2299530798 PPNUXTOAKZQIPS-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 2313560874 JTERHXXPHPZZDO-UHFFFAOYSA-N 585.252 6.861 50 10 KKGE Clc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314453637 YFEPDOYPXUQMRL-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1 2314478956 YNFLTWDPOGPOOL-UHFFFAOYSA-N 517.610 6.457 50 10 KKGE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 2314487134 CNCQTLFRXLARRG-UHFFFAOYSA-N 567.158 5.617 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501125 UMMYZFWGPGJRQH-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314592203 NUIXMFUPHBGEMQ-VWLOTQADSA-N 570.036 7.349 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592633 YZFQXDHHKBXBSX-DEOSSOPVSA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314610817 MREQXHRHNHRHNQ-UHFFFAOYSA-N 556.666 6.675 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 2314616657 GMLATPVAQBDFEU-UHFFFAOYSA-N 560.691 6.287 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314640742 VGKINCKQQYXJHM-JGCGQSQUSA-N 532.571 6.550 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643299 ONDHWNSJUNMDQR-PGUFJCEWSA-N 588.660 6.818 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)cc1 2314646711 KNQBPFZLOTYQTP-MUAVYFROSA-N 660.752 5.096 50 10 KKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc(OCC)c1OCC 2314735642 WYRRXIHNURZYHA-UHFFFAOYSA-N 521.997 6.828 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314738428 PGLCNTZUARCJMN-UHFFFAOYSA-N 558.631 6.098 50 10 KKGE CCOc1ccc(C)cc1[C@H](C)NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325068774 KXFQTXNBOQSUQE-VWLOTQADSA-N 508.666 5.386 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 2337081203 SQYRDKHNWCJRCA-SFHVURJKSA-N 563.486 8.067 50 10 KKGE ClC[C@H](Cc1ccc(I)c(Br)c1)c1cccc(Br)c1 2349852932 MVYIAXCXWDLCGG-LBPRGKRZSA-N 514.426 6.381 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2scc(Br)c2C)c1Br 2365196910 RCPHVDHKABEGTR-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE CCO[C@H](CN1CCN(C(=O)c2ccccc2SSc2ccccc2C(=O)N2CCN(C[C@@H](OCC)c3ccccc3)CC2)CC1)c1ccccc1 29479447 PGPIBOORMOZQCX-XPSQVAKYSA-N 739.020 7.557 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 38650878 KVOKLAZHTWRGPC-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651680 QGNLWWYTZRJZLI-VWLOTQADSA-N 519.395 6.065 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678711 MFKSKVVXMWHUCW-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38685168 NIVRYTXFRCCBPY-DNOBIOAJSA-N 502.542 5.596 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)c1 39858860 VVKSJVPLAFOCTD-AQTBWJFISA-N 515.367 5.412 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 40514735 UISIVYKMODURKW-CVKSISIWSA-N 510.565 5.904 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)cc1 40813879 QTCVRZPMWSPPQT-MHTZHOPKSA-N 519.557 5.825 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 100172611 MIQVGRPVXPGYAT-UHFFFAOYSA-N 621.164 6.082 50 10 KKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100206521 PPTJZFUNNQNEEH-OAHLLOKOSA-N 578.301 5.656 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101021663 JRFQJUUTBMJUDI-HKOYGPOVSA-N 544.636 6.990 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241335 SFCKOYRJQGCHES-IDJUBOEBSA-N 502.039 5.700 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101314665 GYCVHRTWEWHRAX-MHZLTWQESA-N 526.976 6.705 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 101339429 XKQNPZBHAVGZRH-CVKSISIWSA-N 532.575 5.788 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(Br)c1 101363631 AUGTZKFWQFNCEM-QGZVFWFLSA-N 567.264 5.347 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(Br)cc1 101363693 JRZAVZVUAVYDGU-HSZRJFAPSA-N 556.210 5.414 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101375584 CXPRAUKRCQWHRA-UUWRZZSWSA-N 584.713 7.370 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 101376168 FUQVBUUFJYOQMT-LJAQVGFWSA-N 533.024 6.276 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 101377873 ZHGQYALLZXMEQX-WJOKGBTCSA-N 542.632 6.247 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384620 BOSMGZJBTYAEOG-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1 101392909 FBVPMPQSCWUUCP-CONSDPRKSA-N 562.578 5.238 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393726 WJYMLVINEJKKDS-HHHXNRCGSA-N 559.405 7.232 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1Cl 101393954 UHPOANRJSXYOOH-XMMPIXPASA-N 527.379 6.749 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101395612 ZKBYWJMTOGEACQ-NDEPHWFRSA-N 589.113 7.960 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101396919 HBIKTJKVOFCRMX-RUZDIDTESA-N 613.950 8.868 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2c1 101398399 KTONWIPAMWHJNA-JGCGQSQUSA-N 591.063 7.973 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 103737921 CFGSHULJHNGVMD-ZCTHSVRISA-N 580.470 6.132 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 103806437 BBJCUXSQDOMNDQ-DZKODOIUSA-N 586.655 5.194 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 103876824 LXYZJXQWJBULPS-QLQYKETESA-N 557.723 7.436 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150424671 CYOHBMAPDQKJDF-GOSISDBHSA-N 628.679 6.943 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Br)cc1 164643066 QWNBGICEHZDWJI-HZQMBONKSA-N 648.601 8.685 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164649444 VVFPVGDRAZQQOZ-FDAWAROLSA-N 638.303 6.596 50 10 KKGE C[Si](C)(C)O/C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)=C(/CC(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C 195773780 REUJKLTUMDGQGG-KZXRXFMCSA-N 717.114 12.750 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214334339 IYDNMGAOVVPDRT-SZJFIWSWSA-N 532.575 6.040 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C2=O)cc1 214400925 WSDGWKOQEGLNQU-NHYZDEDTSA-N 634.736 7.270 50 10 KKGE NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc3ccccc13)N2 252394298 FNTGWNHFSNXSHE-GSQIWVKLSA-N 566.104 6.434 50 10 KKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 253573431 RKJGGTJCZUUDOA-WIKZRCHHSA-N 509.609 6.983 50 10 KKGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(O)cc1 254508517 NWGBOCDATXZUQH-UHFFFAOYSA-N 513.667 5.960 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N 254607951 YMLMDPRBNVMCOI-UHFFFAOYSA-N 529.500 5.254 50 10 KKGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(F)cc4)c3C)cc2)CC1 254742867 ZHHVTYMFFNKUMR-UHFFFAOYSA-N 539.655 5.328 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254761458 CDARFUTVMPNNIP-UHFFFAOYSA-N 570.818 10.079 50 10 KKGE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 256019345 VRTJQIMVLKKORA-XOPCJJJQSA-N 520.298 7.486 50 10 KKGE CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCCOC(=O)[C@H](Br)[C@H](C)Br 256111822 RZTSKWFQWWIWIF-UWHLTILDSA-N 656.176 9.085 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N(C)C1 504203715 KNWRANWQYPIVSF-GDJGNRRMSA-N 641.540 5.967 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504743103 UYCWFCMOPJKMKJ-MTLCQTQZSA-N 533.281 10.416 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O[C@H]1CC[C@H](N(C)C)[C@H](C)O1)[C@H](C)C2 575232768 ZFKWIQIRGQWRDP-KJXMLNKZSA-N 957.329 5.512 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721615552 RSXRZMIEOPUABX-CQSZACIVSA-N 516.398 6.200 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000417 PRCMMETVWMEYKS-CLOAYSGLSA-N 649.070 6.282 50 10 KKGE O=C(O)COc1ccc2ccccc2c1C=NNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 1081159619 RYOOGRHOCLWFAQ-UHFFFAOYSA-N 578.455 5.236 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1 1083844871 JWTWVTGXKSIAPP-UHFFFAOYSA-N 546.190 6.440 50 10 KKGE CN(c1ccccc1)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083954596 NGVKXVVIERPVML-UHFFFAOYSA-N 567.498 6.107 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 1084168411 RGQRZYREKIYCGC-UHFFFAOYSA-N 769.275 8.925 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(Br)cc3)cc2)c2ccc(C)cc2)cc1Br 1084175710 GVWIXFBJPFNZAG-UHFFFAOYSA-N 671.411 6.688 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(F)c1 1084230847 RNCOEQDREXKORT-NDENLUEZSA-N 501.583 6.161 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O 1084494985 MQERKGPOHMQHNM-UHFFFAOYSA-N 561.024 5.589 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084592698 WKKAAPJKRVGLHB-UHFFFAOYSA-N 598.530 8.501 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1cc(Br)ccc1O 1772752557 HNGCLUYKHYHYON-UHFFFAOYSA-N 504.178 5.113 50 10 KKGE CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440213 KTGXNPIVEQITPJ-WSNDSJNDSA-N 701.030 7.561 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865684986 CJRISRGJMKYPIM-CQSZACIVSA-N 503.670 6.209 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCCc1ccccc1 1865688452 SEOQRUWHXRHVFJ-MUUNZHRXSA-N 510.569 5.227 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865695522 PGBMTDPRUUOOAF-DEOSSOPVSA-N 543.421 5.927 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695822 UMZJLMFPJLIKPL-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865695972 AWIOWSBNLWZYMJ-SFHVURJKSA-N 567.337 5.477 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701065 KUZNAFZIWIUEQU-MHZLTWQESA-N 579.915 7.641 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701233 PMHMVBQWHDXHOW-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865701289 RJYVQLFHGOZZRG-SANMLTNESA-N 517.416 6.593 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865703504 WYXQCPAASCGCQC-NRFANRHFSA-N 567.395 6.815 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868300386 DMJYQPAYOJBOGL-OAQYLSRUSA-N 507.619 6.491 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1OC 1872751758 DYVFQGNHIGPBLE-NIFLQSGPSA-N 517.651 5.835 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1Br 1916384008 UZVWELDDIBCPSE-HNNXBMFYSA-N 520.059 5.264 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC[C@H]2CCCCO2)c1Br 1924591717 TWDSLLUDEQMRHP-HTQZYQBOSA-N 525.926 6.821 50 10 KKGE CC[C@H](C)O[Si](O[C@@H](C)CC)(O[C@@H](C)CC)O[Si@@](C)(O[Si](O[C@@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC 1933268196 JTMGSJWZRADOSX-UDONDVNTSA-N 833.411 10.248 50 10 KKGE CC(C)(CCBr)c1c(Br)c(Br)cc(Br)c1Br 1995047783 KJLGEWFVYUDTCW-UHFFFAOYSA-N 542.729 6.799 50 10 KKGE Cn1ncc([C@H](Br)c2ccc(Br)cc2Br)c1I 2024279852 RYISGLRLHQCSMX-SNVBAGLBSA-N 534.815 5.034 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccco2)c1Br 2025780468 SZBDCJDJUJAGPP-LLVKDONJSA-N 552.680 6.814 50 10 KKGE Cc1c([C@@H](Cl)c2c(Br)sc(Br)c2Br)nn(C)c1Br 2049254973 DKXZIDQIXZQXFD-LURJTMIESA-N 542.316 6.168 50 10 KKGE O=C1c2ccccc2C(=O)N1CCCc1nccn1-c1c(CBr)ccc(Br)c1Cl 2098119312 ZYGQBTARKSFERP-UHFFFAOYSA-N 537.639 5.412 50 10 KKGE CCCC1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141467690 AVZHBETZLVLNQV-RAPRUERJSA-N 538.343 7.843 50 10 KKGE C[C@]1(C(F)F)C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470568 IFPJGOOKPROMOT-SHDSVNISSA-N 590.720 7.464 50 10 KKGE Cc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Br)cc1I 2142278941 JULILQKGRFFDEI-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE O=C(c1cc(I)ccc1Br)N1CCC[C@@H](CCBr)CC1 2149747357 HBLPRYHJBUJMJL-NSHDSACASA-N 515.027 5.081 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Br 2163396448 OXIAEZVSNVHJQD-SVRRBLITSA-N 557.918 7.687 50 10 KKGE Fc1cc(Br)cc(Oc2c(I)cc(Cl)cc2I)c1CCl 2170695215 LIPWXJGWKDMWQL-UHFFFAOYSA-N 601.806 6.982 50 10 KKGE CN(C(=O)c1ccc(I)c(Br)c1)C1CCC(CBr)CC1 2171100866 CVFOGHVXTPPNMG-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Br)c2F)c1Br 2201073383 ZQUCZPSKOVJTPB-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)cc(Oc2c(Cl)cc(Br)cc2Cl)c1CBr 2203008038 OAVBVJXLRHLDFM-UHFFFAOYSA-N 507.806 7.345 50 10 KKGE FC(F)(F)C1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206400333 BOQADMDCHRMTMY-UDSLYJHRSA-N 608.710 7.761 50 10 KKGE CCCC[C@H](C)CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2207146423 YAEQDMPHIYKYNI-VHSXEESVSA-N 598.837 8.779 50 10 KKGE CCc1ccc(CC)c([C@@H](Br)c2ccc(Br)cc2I)c1 2207270521 BRYQDKNIWUPSGF-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(I)c(Cl)c2)c1C 2218788805 FEZBLHDHSNUYLQ-NSHDSACASA-N 520.455 6.870 50 10 KKGE CCN(C[C@](C)(CI)OCCCC(F)(F)C(F)(F)F)C(=O)OC(C)(C)C 2231730740 WAQJVGWRKOSODI-AWEZNQCLSA-N 503.290 5.432 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2nc(CC)sc2Br)s1 2233012783 BVYYHJLCEJPFMC-JTQLQIEISA-N 504.107 6.313 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(F)cc2I)sc1Br 2256053004 JYKPGPSYWQDRQE-LBPRGKRZSA-N 504.000 6.301 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2256334856 DISIMCQZAJEHAG-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE Fc1cc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Cl 2277801248 LWBOGUYQMCHTIP-SSDOTTSWSA-N 511.863 7.351 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)cc1Br 2282899002 MGZHNIYWNWJWNG-CYBMUJFWSA-N 509.797 7.281 50 10 KKGE COc1cc(C)c([C@@H](Br)c2c(F)cccc2I)cc1Br 2282902746 FDHGXRZSSDEKTR-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)c(Cl)c1 2288356090 PCRUQUVYZGEXIN-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 2294155938 LCQWJNLJBFTGNA-UHFFFAOYSA-N 695.251 6.327 50 10 KKGE CCCCC[C@@H](O)C=C[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 2297474260 LJDJHYHISCPTMX-NPBSGPTKSA-N 504.715 7.289 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567373 JNGLVWIDGUWYMV-UHFFFAOYSA-N 537.403 5.736 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 2313571122 NUFKFZDCGIYICG-UHFFFAOYSA-N 508.361 6.755 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(C)c1 2313571573 ZJKVXCWCDBGPIA-UHFFFAOYSA-N 515.824 7.479 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 2314616654 GKYSCXQDGDKDNN-UHFFFAOYSA-N 542.639 6.163 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314617720 WPXJRXGESNJENN-UHFFFAOYSA-N 514.585 5.649 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618624 QNGQYVIYFGGBFR-QHCPKHFHSA-N 543.023 5.363 50 10 KKGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(C)=C(C#N)C1=O 2314618722 SKSQYYZMPWLYQD-UHFFFAOYSA-N 509.002 5.337 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 2314634752 GHHIWSDXUUUPFW-WJOKGBTCSA-N 593.507 7.654 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640655 IBYSOUMPGCCNDX-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643272 NNZUCIZNMIOLKM-HKBQPEDESA-N 552.989 6.895 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)cc1 2314646709 KNQBPFZLOTYQTP-BTYSJIOQSA-N 660.752 5.096 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 2314737629 DPRSNGVXZAYPPB-UHFFFAOYSA-N 522.557 5.471 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccc(Cl)cc1 2314738931 XHEGPCJGWHXGIM-UHFFFAOYSA-N 599.039 6.371 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)CC2=O)cc1 2331231849 KHTZAPIOIAKAGF-AREMUKBSSA-N 519.670 7.665 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)CC2=O)cc1 2331410899 OGWUFOBCNUZNSP-SFHVURJKSA-N 508.043 6.660 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2333303711 QLDBYWIKYUBDNT-UZBVEPSZSA-N 582.750 6.598 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nn(C)c(Br)c1C 2365224097 UQHXAXSZAATSNB-SNVBAGLBSA-N 533.859 5.948 50 10 KKGE Cc1cccc(C[C@@H](CBr)Cc2ccc(I)c(Br)c2)c1 2377335419 SBFYIZFDVMTTRL-OAHLLOKOSA-N 508.035 6.158 50 10 KKGE Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1 1106476 IBTJPRKZKIXBTE-IPPBACCNSA-N 529.394 5.861 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N1CCCCC1 35446089 BSQFCJVCUKKHCK-BWAHOGKJSA-N 506.581 6.177 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1 38658869 COHJTVQONHKCTA-MHZLTWQESA-N 514.578 5.710 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811668 SLJHQXJPWSQNGZ-QFMPWRQOSA-N 512.997 6.195 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117504 JVNXHQCJKQUFIM-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE Cc1ccc([N+](=O)[O-])cc1N=P(/C=C1/N(C)c2ccccc2C1(C)C)(c1ccccc1)c1ccccc1 97981014 ZYADIEXFSJKNTJ-JBASAIQMSA-N 507.574 7.656 50 10 KKGE CCCCC/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 100061979 OFOCYIQALOILPV-SZXQPVLSSA-N 532.276 6.844 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 100360567 PVMSFGOBKLDNFX-RQZCQDPDSA-N 609.247 6.740 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065492 VHCKIHYDRCVRJT-FQRZLYOMSA-N 538.417 5.942 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 101332991 BYCJHJOUEMAZQM-NLRVBDNBSA-N 508.622 6.029 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367557 HFVPFUYRHWAOML-YTTGMZPUSA-N 562.622 6.500 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OC 101369110 JRYHBNABZVDVPN-SANMLTNESA-N 549.421 6.074 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379367 KDRDHSYBENLXDZ-NBLPZQPVSA-N 595.095 7.633 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381330 FDIAFLAVOFEJRC-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101388804 QDPUEXPYVYWIAE-HKBQPEDESA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101388826 SIGRMOFJIXDQMY-PMERELPUSA-N 571.004 6.894 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101389732 XFCOVVJPPHBLIN-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101397726 LFCDHBVPNZHEHF-MUUNZHRXSA-N 617.485 8.364 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596126 NSTZBBRVRFGYNK-OVVQPSECSA-N 531.325 5.054 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 101859276 UQWFEPWBGKZRKP-PXLXIMEGSA-N 547.409 5.192 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc(Br)c1OCc1ccccc1 103562763 OFBHGWMYPIWGIN-MUFRIFMGSA-N 548.393 5.646 50 10 KKGE O=C(CSc1nc2scc(-c3ccc4c(c3)CCCC4)c2c(=O)[nH]1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 103705763 VOEFICPTEGJANM-AABVJFSESA-N 615.180 7.005 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1 103797428 XGXVGXSIQRPCQJ-IPBVOBEMSA-N 580.635 7.093 50 10 KKGE Cc1ccc(S/C(Cl)=C(/NC(=O)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 105895560 WQZDWHMDHWNHRA-SGEDCAFJSA-N 503.991 6.897 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1 110184081 UJOCELPDGJCWDG-ZUKKLESISA-N 565.719 8.645 50 10 KKGE COc1cc([C@@H](Br)c2csc(I)c2)c(OC)cc1Br 134293933 DZWYLHNUODBAAF-ZDUSSCGKSA-N 518.008 5.617 50 10 KKGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 135624046 SZGZTKOCRREDQF-XYWKZLDCSA-N 539.496 5.333 50 10 KKGE in-vitro CCCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 150440792 SHAMSQSKZXUTFP-WXKOKIAESA-N 660.816 5.459 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481967 JBPLYOFUTYEDQG-UMSFTDKQSA-N 659.566 8.587 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 196944922 DAZIGOPASNJPCJ-UEJHVKLOSA-N 787.990 7.753 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 214217377 FQAHNPOBCZBRNJ-RRAHZORUSA-N 522.649 6.501 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214426540 PVSWGLWKUNISKQ-VEILYXNESA-N 552.631 5.182 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 236043940 IRMRWATXTSRFDU-JTQLQIEISA-N 524.297 7.173 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C(\c1ccccc1)c1cccs1 253562696 DOPUELBOYUGQCC-QVAGMWBUSA-N 524.675 5.602 50 10 KKGE CCn1c(SCC(=O)NN=Cc2c(OC)ccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 254512452 NTCXZFSNSTYGSZ-UHFFFAOYSA-N 501.656 5.667 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019824 GZULQEGYIKAKAS-DWIXPAAUSA-N 700.464 7.482 50 10 KKGE BrCC(CBr)(CCCOCc1ccccc1)c1ccc(Br)cc1 309874291 SLARAFIHHYMGCB-UHFFFAOYSA-N 505.088 6.474 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)sc1Br 310345207 PCCDGCYEIBDCNY-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2ccc(F)cc2I)c(C)c1Br 380469715 SYDQHSGGSXSVEE-INIZCTEOSA-N 511.998 6.602 50 10 KKGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 504746429 NMNGXZIYPJHWNQ-SCOPYBQOSA-N 793.786 6.704 50 10 KKGE C/C(=N/NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408915 VDGYFRFEYKRYKQ-SBMRSRJZSA-N 836.028 5.932 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)c1 616587493 MVYCNYZFAVUTEM-SANMLTNESA-N 507.772 6.982 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1Br 691537987 GDOMFXIZYTXDSO-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(I)cc1 1084153339 FYGQHACDBWDJEG-AREMUKBSSA-N 598.481 5.961 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]23)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 1084293999 QAGNTHOJEGTRBR-NTWUZXOXSA-N 526.922 9.641 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(c1ccccc1)c1cccs1 1084403718 PRGNWOXPFAKROQ-UHFFFAOYSA-N 523.087 5.452 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084410903 ZAMKZJQGPVHFMG-GDLZYMKVSA-N 652.529 6.785 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 1084649065 VKALWOHMZFJHQC-UHFFFAOYSA-N 641.533 5.365 50 10 KKGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c(Br)c1 1614642020 KAOAFGFQPIOUNP-WMLDXEAASA-N 501.162 5.008 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc1OC 1772746797 AABRHSKSFYFJOA-UHFFFAOYSA-N 525.605 5.201 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1OCc1ccccc1 1772754276 UQFWKLXTQXTIMO-UHFFFAOYSA-N 604.339 6.626 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(OCc2ccccc2)cc1 1772754559 KFRVHSHCCFNVTG-UHFFFAOYSA-N 515.407 6.224 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865682512 QLKPXWRGQHWVRZ-RUZDIDTESA-N 529.471 7.421 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865691571 VQRRCQMJYOWVOH-VWLOTQADSA-N 512.972 6.174 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694212 VWMZCOKCZALJDH-AREMUKBSSA-N 541.449 6.303 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)c(Cl)c1 1865694486 YOKPWIBDGVVKCP-HSZRJFAPSA-N 527.452 6.206 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695625 QYRKYJKDOVAZMD-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OC(C)C 1865697540 VZMXTDCHXYNCOB-FQEVSTJZSA-N 502.468 5.103 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700108 LDOYETJFINGZAT-KRWDZBQOSA-N 500.278 5.353 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(Cl)cc1 1865701463 WCPMUCRKHRXLIV-MHZLTWQESA-N 530.987 5.838 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)cc1 1865703009 KSABSHUPRMWGNI-MHZLTWQESA-N 506.606 6.074 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1865703550 BBTDVRHDSAQECH-HHHXNRCGSA-N 547.442 6.352 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866661038 MAHSGQZKEBWHLS-RUZDIDTESA-N 549.027 5.924 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)c2ccccc2)cc1 1866776141 LIWLXPUTOVBABC-PXJZQJOASA-N 509.606 6.417 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@H]3C3CCCCC3)nc(-c3ccccc3)n2)cc1 1868365711 VDVVZYJXGCFMNQ-MGBGTMOVSA-N 556.739 8.626 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414668 OUZPWRUSPDTOJI-DEOSSOPVSA-N 568.146 7.922 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@H](c4ccccc4)C3)n2)cc1 1868528561 VMEFDQZMFKKDJE-MHZLTWQESA-N 522.678 6.352 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745295 GMAAGCCMNYCNMO-QETBKQIWSA-N 515.860 7.365 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782887 VUCPFMRNALWOKA-ZMOGYAJESA-N 517.481 8.639 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)c1 1872791368 HEZCKQXJAPCSQQ-UDWIEESQSA-N 519.022 7.132 50 10 KKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915789157 TXLZFAPIUMABDB-UHFFFAOYSA-N 506.609 5.714 50 10 KKGE Fc1ccc2cc([C@@H](Br)c3c(Br)sc(Br)c3Cl)sc2c1 1923074474 MVWWHGXXVDSKJB-SNVBAGLBSA-N 519.480 7.765 50 10 KKGE Brc1cnccc1C[C@@H](Br)c1csc(Br)c1Br 1924020305 FSIOEURYHQBGOM-MRVPVSSYSA-N 504.867 6.109 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@H]3C2)c1Br 1924605338 POSHGWGAIALWBJ-JAGXHNFQSA-N 507.911 6.908 50 10 KKGE CC[C@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784252 SQHMUJMMQDLTEQ-JFWOZONXSA-N 554.740 7.219 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@@H]2CCO[C@H]21 2085493307 AKSJBKVAIFXUJK-DMIGLEQGSA-N 524.272 6.051 50 10 KKGE CC1(C)C[C@@H]1CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472699 HCTKAXLWBZVZIY-JGVFFNPUSA-N 582.794 7.999 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)(C)C)c1Br 2179825522 ICIWCENXXKKYFD-INIZCTEOSA-N 517.327 6.278 50 10 KKGE FCCOc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2189519645 YPAORZWORORJSE-SNVBAGLBSA-N 551.895 6.868 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)cc1Br 2202912724 WYVRGLMNRWNKNN-CQSZACIVSA-N 578.839 6.448 50 10 KKGE Cl[C@@H](C[C@H]1CCCOCC1)c1c(Br)c(Br)cc(Br)c1Br 2206396136 SPGWGWPRHVNAOE-KWQFWETISA-N 554.342 7.223 50 10 KKGE CCc1occ(C)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400197 QBRBWUUGBBPROS-CQSZACIVSA-N 594.761 7.685 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1C 2206403820 MZTVAIJJGHSMGE-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Clc1cc(C[C@@H](CBr)Cc2ccc(Br)cc2)ccc1I 2208042415 CZDLFCDXRITGRU-ZDUSSCGKSA-N 528.453 6.503 50 10 KKGE Fc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Br 2236117961 OXEHBMWRHZLBNW-GFCCVEGCSA-N 540.342 6.562 50 10 KKGE COCc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)s1 2237454672 IOXWVEROGZRFOA-NSHDSACASA-N 503.481 6.752 50 10 KKGE FC1(F)CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2277716754 PKGDIBPORKWHHJ-GCXOYZPQSA-N 546.269 7.452 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288350289 YIYNSSOVPAAWQH-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CC(C)(C)[Si](C)(C)OCC[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12 2295064238 VUCHYWIXYJVTNP-IZORYLLQSA-N 506.597 5.192 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)cc1 2296500350 JFJHKYCGQRSQMA-UHFFFAOYSA-N 522.626 7.025 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 2296719477 ZNLHVQHXFJFAPQ-UHFFFAOYSA-N 567.671 5.369 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1Cl 2297413564 JVQIAVJHDSZOSE-PMERELPUSA-N 505.021 7.125 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(I)cc1 2313567448 HOBUNYBGBXTWKE-UHFFFAOYSA-N 578.450 6.852 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 2313568523 UFDHQSAWABNKDG-UHFFFAOYSA-N 514.028 8.319 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(I)cc1 2313571085 NBIMTPBFJBXWAA-UHFFFAOYSA-N 719.144 7.726 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(O)c2cc(Br)ccc2n1 2314489591 RYRRSIHWJOPCKV-UHFFFAOYSA-N 501.340 5.180 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314592526 WQOGZFMDAJOQBB-VWLOTQADSA-N 552.483 6.684 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314619538 ASWPJGXCYNCEDF-UHFFFAOYSA-N 526.564 5.604 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314620770 USRPCPBFCZZAAO-UHFFFAOYSA-N 605.138 7.719 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634655 TYBXSKNEPOAKKS-PMERELPUSA-N 579.480 7.408 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(OCC)cc2)c1C(=O)OCC 2314773772 APSBRMAPUTXRII-UHFFFAOYSA-N 504.608 6.325 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc(Br)c1O 2321248706 YMKKAWTWGGEHEX-UHFFFAOYSA-N 509.187 5.604 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2ccc(I)c(Br)c2)C1 2325371182 KKSYRSXUUCXXJI-SFHVURJKSA-N 589.106 5.735 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2334620916 LHSKWPQARKMHTO-HIHLCYOISA-N 580.778 7.609 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)ncn1C 2339647551 BMVHQVDOCKHULA-VIFPVBQESA-N 519.832 5.639 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361179484 WHAPDWGGOMTHQW-UYAOXDASSA-N 500.221 7.680 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2COCCC2(F)F)c1Br 2362228106 LTLXMJSGCABLDY-CDUCUWFYSA-N 501.362 6.112 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2364126618 HFKYUKWVFLYBFC-SNVBAGLBSA-N 560.398 7.272 50 10 KKGE COc1ccc(CCOC2(CI)CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1 2364696998 UKXVPCJHEILNAZ-UHFFFAOYSA-N 554.263 5.222 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2365595505 KVJABFSMUPPJMM-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(OCc2ccccc2)cc1 8396890 LLACEXMQCYSBMP-QXUDOOCXSA-N 521.016 7.415 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 34714148 RVSKVDAEOUZOSB-QLYXXIJNSA-N 504.634 7.353 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38660259 HLEHULOCNWQFHQ-PMERELPUSA-N 528.605 5.775 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 38681217 JASIDVRHIOTRAS-HHHXNRCGSA-N 518.953 5.116 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCCC)ccc21 38686206 OKGCKBNGYRPESE-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 40530037 VFBFHRKFAMYXLO-GDJIYFAZSA-N 516.569 5.986 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc(Br)c1OCc1ccccc1 40889019 XSBPQCFEPDHVAK-CCVNUDIWSA-N 511.416 5.491 50 10 KKGE COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462990 HWUJXIKUKSVTTF-ZRGSRPPYSA-N 504.377 5.087 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1 100030676 ONAHQJUUURGBSZ-UHFFFAOYSA-N 540.483 5.128 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)cc2)cc1 100883831 ITTDVFHIWAARAD-VFCFBJKWSA-N 542.643 5.737 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242187 YZEZTGUQOUJNTG-NLTRVXJZSA-N 506.027 5.799 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 101373697 ZXKCJZLAPIMFMS-JGCGQSQUSA-N 534.612 6.394 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OCC 101374120 ZGXFNSVOGMCLRE-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374763 ITHOOIGVVDNCPP-WYOOIXGGSA-N 584.713 7.369 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379168 UPUOQBHMHNWPOR-WJOKGBTCSA-N 567.041 6.738 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384946 LVZBEAPHJYZJLT-YTTGMZPUSA-N 615.513 8.189 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387778 MSZRZZJKDHYTBJ-UMSFTDKQSA-N 592.648 6.184 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388698 ZOIDGJYVGQEYMU-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389457 ZMLPOGCAOHGSDR-MGBGTMOVSA-N 596.611 6.015 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1Cl 101392633 DVKPKCYHAZMULH-RUZDIDTESA-N 569.441 6.627 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101392881 HCGJSGSDHNZXMX-RUZDIDTESA-N 561.388 5.958 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1 101392894 VCKPJXKWXNNQAR-PMERELPUSA-N 609.103 7.888 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399922 GNDJHLMIUHYFEX-AJQTZOPKSA-N 594.595 5.767 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 101405882 RRYXAOZFFJIKQB-JWOUUYIMSA-N 618.715 5.163 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 102932895 WFCJFLNBWXJYNF-PXNMLYILSA-N 532.767 6.688 50 10 KKGE COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cccc(/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)c1 102970498 RVXPKNGLINQUNL-IINORCHSSA-N 575.452 6.719 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c([S@](=O)C(F)(F)[C@H](F)Cl)cc1Cl 103187866 AMMWUVYBCBVVCD-NGFNCXNUSA-N 509.667 5.468 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1 103797015 BNOHFSKNFRSENF-VFLNYLIXSA-N 606.698 7.353 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 150425909 WVRIOZVGLXITHE-XZJBEKIMSA-N 637.312 5.995 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1 150429426 QDZYAMXKGJJURG-LCVHJTKWSA-N 667.338 6.004 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 150469072 HXPPPNXRKNITRY-MRXNPFEDSA-N 639.533 8.463 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 150509164 ADSXJLXBBQDKSW-TURZUDJPSA-N 637.136 6.834 50 10 KKGE Clc1cc(Br)ccc1CC(CBr)(CBr)c1cccc(Br)c1 168969406 FGQXMNUICFTXKW-UHFFFAOYSA-N 560.349 7.135 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205649737 GXTBPZYSAILNDQ-JCNBUMAZSA-N 510.590 5.838 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 205667231 VQIYOFFLWWKFOP-MLKFARABSA-N 574.652 7.539 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205781192 USZLRIATJVJMDS-KPPCDNTDSA-N 648.741 5.172 50 10 KKGE CCCCCCCCCCCCC[C@@H](NS(=O)(=O)c1ccccc1)[C@H](Br)C(=O)OC 207650767 UTAZLJFKNZZADI-YADHBBJMSA-N 504.531 5.971 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 214386771 OTYSDXCUPSONAT-YUMHPJSZSA-N 604.638 6.378 50 10 KKGE O=C(NN=Cc1ccc(O)c(Br)c1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 252621638 NDNKQQPJLBBWSH-UHFFFAOYSA-N 637.530 7.656 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nc3ccccc3c2=O)cc1 254385856 PJWGQLQCRXOHPI-UHFFFAOYSA-N 550.640 5.216 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2OC)cc1 254402037 GQHFKPDKLOGVKK-UHFFFAOYSA-N 504.583 5.356 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1 254582742 GEKCPIBKKQULIT-UHFFFAOYSA-N 508.703 7.846 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)NN=Cc2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254623085 HWXQIJHBVZUADH-UHFFFAOYSA-N 734.812 5.746 50 10 KKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(COc3ccc(C(=O)OCC(C)C)cc3)c2)cc1 254869959 NVEVBNPABOUVJK-HCNBFCJCSA-N 635.717 6.017 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 254879299 JSYGOAVPIMRFSO-UHFFFAOYSA-N 550.611 6.086 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C)C(=O)[C@H]2Br 256019410 ZSXKEJHPKZQIOA-CFKSZREYSA-N 700.512 6.607 50 10 KKGE CC1(C)[C@H](OC(=O)Nc2ccccc2)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@H]2Br 256020013 RIQXORNCRAGFJP-FCLUMBPUSA-N 588.960 6.437 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)sc2c1CCCC2 263627193 LPIVNRIUGYCJDC-UHFFFAOYSA-N 583.666 5.573 50 10 KKGE Cc1nc(Oc2c(I)cc(Cl)cc2I)c(Cl)cc1CCl 380183346 ANVFITDHKBACCB-UHFFFAOYSA-N 554.380 6.437 50 10 KKGE CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(=O)CCC(C)=O 616583204 NVXCQIGISGANFA-YRLFNMAZSA-N 524.752 5.250 50 10 KKGE Cc1cn([C@@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H](CO[P@@](=O)(Cl)N(C)C)O2)c(=O)nc1O 616584534 DIRYYUMNQFXZQD-RNVFLWBJSA-N 609.063 5.374 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)c2ccccc21 616674512 JHEKIFKTJCMHSU-SANMLTNESA-N 511.899 8.572 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1cc(Cl)ccc1I 689766844 JLGNTNVHTVXEMS-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 725422356 UNVXLPIFJCPZAT-LJAQVGFWSA-N 516.041 6.290 50 10 KKGE O=C(O)c1cc(N=C=S)ccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12 1073268839 FXRPEFDTBHQLOA-UHFFFAOYSA-N 892.972 7.121 50 10 KKGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(I)cc1 1083973015 FSOAXSJLALKPCX-UHFFFAOYSA-N 616.308 5.642 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2I)cc1 1084020885 LPCUHHZQBYJKCB-HSZRJFAPSA-N 528.390 5.143 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1084085652 UXWVXUFALGQVQT-PWAJYCBGSA-N 613.652 5.570 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1084131269 VPJGGJGXOUOEQQ-UHFFFAOYSA-N 561.726 8.040 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 1084158556 WAMGWCDLBCWXAN-UHFFFAOYSA-N 622.925 5.030 50 10 KKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084169239 ZZYQSWVRDOTXJJ-UHFFFAOYSA-N 517.629 6.526 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(I)cc1 1084206223 KGKFUNZMYQCXHI-UHFFFAOYSA-N 551.472 5.900 50 10 KKGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084206945 YRIINKNKNCLWDK-RFRFBGJFSA-N 520.073 7.327 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084209102 WQDCYGWPIOOSNT-KGENOOAVSA-N 571.302 6.591 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 1084314092 HPGVZRJPPVSVAR-VGOFMYFVSA-N 545.602 5.281 50 10 KKGE Cc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084345308 QOGLKHVHVVKIQC-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084450186 OQIZBXQDJHWJMY-UHFFFAOYSA-N 602.235 6.038 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747003 CDFXFJQUFNVAQC-UHFFFAOYSA-N 548.426 7.410 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 1772755238 WJWUUEHOBZECTL-UHFFFAOYSA-N 681.859 7.819 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680480 MDAAFMMVQVXJIP-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692382 BCUJHWMNOBSHOX-LJAQVGFWSA-N 538.623 6.219 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865692557 CIHFDXNMPRKEBS-VWLOTQADSA-N 546.549 6.146 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865693383 JEXLNKFEOIZMCL-XMMPIXPASA-N 566.967 6.740 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865694455 YIHQZMRFKXKHFC-VWLOTQADSA-N 543.023 5.886 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865694938 GBIJJFXWQQOJDM-AREMUKBSSA-N 508.578 5.210 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695148 LGUYXNPXSIIBNB-AREMUKBSSA-N 531.443 6.929 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865695909 VMWCMGVQVQUBPB-MUUNZHRXSA-N 510.569 5.493 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696856 RYFNKBIYCCIHTG-JOCHJYFZSA-N 549.812 5.888 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698492 VHKHUCLKGXKHGX-HSZRJFAPSA-N 555.448 5.799 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865701663 BAOQXMPKXTVTEO-OAHLLOKOSA-N 548.121 6.318 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703602 CHTCYDQDHOAZCD-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1 1871437125 YXVDRTADPCNCNQ-UHFFFAOYSA-N 518.871 6.709 50 10 KKGE COC(=O)c1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)o1 1872728890 ZHLQIXRGJPLWFM-OQLLNIDSSA-N 507.167 6.779 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745653 XEDZAIGPAIKYQJ-RFBIWTDZSA-N 521.573 6.578 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(=O)c1ccccc1 1872781223 ZCAMQZKEVRXMGT-DEDYPNTBSA-N 517.404 6.865 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 1872781769 PLTGGXCUWXUASK-HYARGMPZSA-N 505.640 5.919 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873794307 COEBVUHNLRFLRS-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915297483 HPRXLHXVTLPNRQ-SFHVURJKSA-N 518.087 6.274 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Br)c1sc(Br)cc1Br 1922883563 PKFCITXJSVITQH-JTQLQIEISA-N 513.398 7.430 50 10 KKGE C[C@@H](C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924568194 CPBPPYMYHKICJP-XVKPBYJWSA-N 523.954 7.688 50 10 KKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569610 XRDSZRZRFBZQGH-XPUUQOCRSA-N 543.891 7.297 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c(F)c1F 1924571143 OZSGWDFBKSQXBP-LURJTMIESA-N 517.361 6.920 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924591715 TWCHFUYZSWDBGH-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)c1 2024279661 QILANEKICJEIDI-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE CC(C)(C)c1ccc(O)c(-n2nc(CBr)c(I)c2C(F)(F)F)c1 2079260382 BWDICFWDXJZCBX-UHFFFAOYSA-N 503.100 5.394 50 10 KKGE CC[C@@H](C(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494262 KSQOWTNAGCAVLR-CPFSXVBKSA-N 526.332 7.699 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2085495347 QFWKLJAVNDOKKW-LLVKDONJSA-N 603.193 7.936 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141470370 GOBRHZWDYMSJBX-STQMWFEESA-N 540.315 6.976 50 10 KKGE CCc1ccsc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470377 GQGBXIUTGHXIND-LBPRGKRZSA-N 596.802 7.845 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2206571905 UEPAMUMIJVLBCB-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE Brc1ccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222448717 LYZXKHJYVHYHAN-MRVPVSSYSA-N 582.775 7.477 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2232833715 OSLKLPZEUSYWHX-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 2258107538 MFVJSPLWRYTJBN-JTQLQIEISA-N 542.287 7.312 50 10 KKGE CCCCc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 2264365773 YYPQUZPTFUJURK-OAHLLOKOSA-N 514.064 6.942 50 10 KKGE CCCCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 2264371980 RVUDMBSLVQUKKL-HNNXBMFYSA-N 514.064 6.942 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1I 2269556466 PAJHHZQJYRGAIW-AWEZNQCLSA-N 563.398 6.042 50 10 KKGE FC1CC2(C1)CC([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2287695428 PLOFVNCJVKMICM-VHDPVDNTSA-N 598.768 7.701 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293198320 UJRQDKYJSGAQHE-HSZRJFAPSA-N 542.875 7.020 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12 2295178603 CLOQJRQNOFDJKY-UHFFFAOYSA-N 616.424 6.683 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)sc1Br 2301044816 VJDQRLJQEBABFF-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12 2313566855 BWFGIUCHKIYXDT-UHFFFAOYSA-N 592.537 7.166 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OC 2313571249 QRDDSICWMLXVBP-UHFFFAOYSA-N 528.186 5.252 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(C)c1 2313571276 RHGBTQJOXVBFKY-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE N#CC(=Cc1cc(I)c(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571486 XJUGQZZYXKRHCD-UHFFFAOYSA-N 584.966 5.454 50 10 KKGE Brc1cccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448147 FJMIIFPVERILPL-HXUWFJFHSA-N 525.078 7.469 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 2314532567 LFPUFTLGRSDFRY-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592678 ZZVGFJZSWYLMLA-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314616516 CLYLAPSBNHBYKG-UHFFFAOYSA-N 590.683 6.953 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C(C)=C(C#N)C2=O)cc1 2314616637 GFASLQQAHRDQTK-UHFFFAOYSA-N 530.584 5.349 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617824 BNLGQGWPBNYKHP-RUZDIDTESA-N 538.673 5.813 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(Cl)c(Cl)c1 2314754599 WMGVPFBKNPSWSQ-UHFFFAOYSA-N 511.361 5.827 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1sc(Cl)cc1I 2316658152 GEHWVRRYYTZODD-NSHDSACASA-N 522.427 6.262 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2321698108 CPSKUYVNUPQZJC-UHFFFAOYSA-N 528.008 5.378 50 10 KKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1 2325306772 GBDIHABUAHBPEY-UHFFFAOYSA-N 522.649 5.397 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C=C(c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329622680 ZSOGSRVERJQGAW-SSEXGKCCSA-N 553.684 5.962 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1OC 2331242646 XDIPBQRVGHKYKQ-HNNXBMFYSA-N 511.987 5.335 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(Br)c1O 2331432153 WSYDEBYYKDLYFY-UHFFFAOYSA-N 506.219 6.504 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccc(C)cc1 2331456509 VXGZAEZHXIRIJA-UHFFFAOYSA-N 502.639 8.314 50 10 KKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361172299 OCSCQGOKHUBUBN-WGJMPDEYSA-N 506.156 6.574 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362226680 WFPKUIQZYVUCGZ-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362235158 KPBVTOSNWHVOFL-SSDLBLMSSA-N 505.369 7.419 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362235505 MFRDKRJUBRACMK-NSHDSACASA-N 601.248 7.232 50 10 KKGE COc1cc(F)c(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c(Cl)c1 2364647730 NWFGDNBLSQLAFB-IBGZPJMESA-N 513.775 5.209 50 10 KKGE Brc1ccc([C@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377593933 IJCBACHUFIZJRP-HNNXBMFYSA-N 621.876 6.509 50 10 KKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 27550502 YMJLWOXRDRHFHX-OAQYLSRUSA-N 503.615 6.746 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc(O)c2ccccc2n1 34988521 XJUNFPHIAARXGV-NCELDCMTSA-N 521.580 6.831 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 38700539 WCAJKAHVDBBJRQ-MUUNZHRXSA-N 524.573 6.284 50 10 KKGE O=C(NNc1ncnc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40611783 MDWDVCNCCJTLBJ-UHFFFAOYSA-N 522.609 5.119 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(C)cc3)CCC4)ccc21 40804513 YRGAMEICXYFEOO-YQCHCMBFSA-N 518.617 6.747 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813742 YJUAXSIHBKHODI-NDZAJKAJSA-N 508.361 6.133 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 58891750 GVWPENUFQUKVFC-CIGKTAFOSA-N 507.428 5.721 50 10 KKGE N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1nc(-c2ccccc2)cs1 58976463 NPAVLWCNJGXBIT-FYJGNVAPSA-N 516.420 6.697 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1OC(C)C 97914795 OBWOFQVEFWOUFY-KNFYQODVSA-N 519.126 6.176 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 97959753 JEMSSIMGHJKQKQ-ULJHMMPZSA-N 570.652 5.039 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246691 XTBGJENLUJDCGS-TUJXDINHSA-N 513.619 5.467 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337590 IYDNMGAOVVPDRT-AUEUWSLNSA-N 532.575 6.040 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101362015 JJCJYSATBIUBLW-FQEVSTJZSA-N 546.448 5.373 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OCC 101374719 YRMKXQNIIWGYPQ-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 101376315 NWXYUXPQOBBQCO-NDEPHWFRSA-N 529.549 5.366 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 101378098 BYSSXIXYEQMRMX-UDNBHOFDSA-N 554.687 7.189 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Br)ccc43)cc2)cc1 101378474 AXPUAVMWPLOZKS-LJAQVGFWSA-N 567.439 6.774 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5C)ccc43)cc2)cc1 101378538 RZPJZENRXNBDFW-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380751 MAQKMKQXEGFKSS-PMERELPUSA-N 536.559 6.241 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101389471 MBCIJFPVHMNTLM-JGCGQSQUSA-N 611.582 5.914 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc(OC)c1OC 101393445 AHAJBADQPTYALM-QHCPKHFHSA-N 583.449 6.671 50 10 KKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101450855 MDMNIYQGDAZIKM-UHFFFAOYSA-N 542.905 6.076 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613379 MMBZLORHYWSPIY-GOJREDGKSA-N 565.979 7.650 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccccc1Cl 101907095 AKIZFAXEXXVCAS-PXNMLYILSA-N 523.641 8.061 50 10 KKGE O=C(Cn1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21)Nc1ccc(F)cc1 103878862 JFHKXABDCZKZMH-VFLNYLIXSA-N 533.357 5.692 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(O)c(Br)c1 105681725 NDSAIOLXGNMMJD-UFFVCSGVSA-N 529.279 5.550 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2C)cc1Br 128767989 CWPDLRVVGOQFMK-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 150498683 FDIWRANRDHULFT-IURWMYGYSA-N 695.886 8.209 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 164612512 UVNKYXLJGXMDNM-ODNPBWNPSA-N 724.824 8.816 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 164630867 UVIDLYWBBJNDIY-BBUXEPKYSA-N 648.557 8.015 50 10 KKGE C[C@@H]([C@@H]1CCC[C@@H]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C 208701040 VSPUBGCATGQRGJ-LQGLAIQGSA-N 562.559 9.793 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 214240740 RVHVJOPBXFXKMP-RRAHZORUSA-N 522.649 6.501 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C2=O)cc1 214403114 KJPJPPFKCWVBQC-XXODTSCDSA-N 584.676 6.015 50 10 KKGE COCCOc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 229010968 UYNKXRNYVBLLIJ-CYBMUJFWSA-N 519.480 6.389 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Br)sc2Br)c1 236069394 DDYOKBWYHICAKL-JTQLQIEISA-N 571.297 7.015 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 252625892 QRKCXYNGDCOJGA-GOSISDBHSA-N 705.420 6.194 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 254404701 RNVSXWQUVFGCQK-UHFFFAOYSA-N 537.494 6.047 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254714173 TUAORONPSJPTAG-UHFFFAOYSA-N 607.799 7.606 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1OC 254814929 SLMBUBZMJSAFLY-UHFFFAOYSA-N 537.645 5.737 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025165 POHNLKHHAZMWED-XHKJDTBMSA-N 644.617 10.491 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2Br)[C@@H](CI)C1 382697560 BJNISYJFKZAKOC-YOEHRIQHSA-N 534.619 5.890 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590355 QXQZQDMMTWVWDX-OCKUFXKISA-N 654.920 8.706 50 10 KKGE Fc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1Br 705417210 DIQPXNGLRCNPLQ-SECBINFHSA-N 507.842 6.659 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 725422172 JDLBBBQTRHWWFF-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N 1084034407 REIPIWBAJDJMSR-UHFFFAOYSA-N 553.460 6.610 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 1084188946 OCZVXVXAULBRMF-KEBDBYFISA-N 582.394 5.852 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 1084220842 MWMVWONSVFLTPD-CHHVJCJISA-N 571.085 8.187 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 1084221510 ASJZXIWNGIGXQO-OEAKJJBVSA-N 544.449 6.174 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1F 1084308653 KOGJNNPQVJFDAC-XQNSMLJCSA-N 564.455 5.822 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O 1084343085 CWDVNMMLKBRMLQ-UHFFFAOYSA-N 514.423 6.413 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084353046 QREWEZDSKFFCEU-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE O=C(Cn1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21)Nc1ccccc1 1084452327 STGOXRGKGDBNBB-UHFFFAOYSA-N 515.367 5.553 50 10 KKGE O=C(NN=Cc1cc(Br)c(O)c(I)c1)c1cc2cc(Br)ccc2o1 1084484539 FVGMDXGEDJEIBO-UHFFFAOYSA-N 563.971 5.032 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1084541762 YNZWKHFZQXDICN-MUUNZHRXSA-N 638.502 6.395 50 10 KKGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 1084591866 CHXWKNNJVJCFQW-UHFFFAOYSA-N 508.372 5.089 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1084632513 PIFRKIULVHNEKL-WCTHVPLPSA-N 529.640 5.972 50 10 KKGE COc1ccc(C(C)=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 1565517551 NFEIOTYNXSMGFS-UHFFFAOYSA-N 500.552 5.145 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 1614611879 LVQSCLBKGHGMFF-RXOZWRLSSA-N 554.597 8.375 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746776 GUIUGQJPSULSPJ-UHFFFAOYSA-N 518.367 5.588 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747127 FCUKHLXZXDTBNL-UHFFFAOYSA-N 523.958 5.482 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772748806 DVHSHFQBPVWLFS-UHFFFAOYSA-N 521.577 6.491 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccccc5Cl)c(C)c43)coc2c1 1772751979 QKBYUPDYWGUDMI-UHFFFAOYSA-N 518.013 5.934 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682318 LXGGAHMEZZCPJW-RUZDIDTESA-N 511.025 6.717 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 1865684360 XKQPBKIFEOAIEO-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685281 GKYHHIHBYWVSSA-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688423 RSBIEPPKARZMOZ-SSEXGKCCSA-N 534.660 6.041 50 10 KKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689350 QEFMZUNFPFSVER-HSZRJFAPSA-N 513.425 5.968 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OCC 1865691471 SQCZYGWEDVASKG-NDEPHWFRSA-N 571.077 6.666 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865693386 NTAYPNVYOQWCLV-SANMLTNESA-N 506.606 5.922 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696188 CRCHBCRLRUUQEM-SSEXGKCCSA-N 534.660 6.372 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698185 MPFQVNNEBRSFAM-OAQYLSRUSA-N 543.849 5.865 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 1865701095 LSFJKHWLVGNXDH-SANMLTNESA-N 577.866 6.402 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701122 MLWPVDHJPLZHNM-GDLZYMKVSA-N 555.078 6.570 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1865702989 KEOQCCGOIPTUTC-NDEPHWFRSA-N 561.469 6.992 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704866 GMPMOWRRXRCOJY-RUZDIDTESA-N 561.425 6.187 50 10 KKGE C[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867205611 FKFMEEJRCPYAIV-OAHLLOKOSA-N 517.014 5.257 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868301514 QWQJFNAXZRVHLA-UHFFFAOYSA-N 555.151 7.177 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872747809 UUTMEYFKPOCWJT-LCUIJRPUSA-N 507.571 5.955 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 1872751651 QVMMZORGZOCNCN-GYHWCHFESA-N 503.668 6.636 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753503 ABOQNQLCYGNUFO-CNDSNSFTSA-N 501.652 6.406 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(I)cc2)c1Br 1922933709 YPHPZALVXRVBON-SNVBAGLBSA-N 506.428 6.514 50 10 KKGE Cl[C@H](c1cc2sccc2s1)c1c(Br)sc(Br)c1Br 1924593451 DZCQWCHXSGFKDJ-SECBINFHSA-N 507.519 7.640 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924599007 AGSIEARXHILJBL-VIFPVBQESA-N 560.277 7.405 50 10 KKGE C=C[Si](C)(C)O[Si@@]12O[Si](C3CCCC3)(C3CCCC3)O[Si@@](C3CCCC3)(O[Si@]3(O)O[Si](C4CCCC4)(C4CCCC4)O[Si@](O)(O[Si](C4CCCC4)(C4CCCC4)O1)O3)O2 1933242746 LOBZRAJXPONROZ-OOHONKGSSA-N 959.697 10.290 50 10 KKGE Clc1sccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1983217590 DASSGILHJDBMCG-YFKPBYRVSA-N 530.326 7.235 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c1 2031478711 IUHNTHZSPXDSQD-LBPRGKRZSA-N 562.719 7.221 50 10 KKGE Cl[C@H](CC1CCCC1)c1c(Br)c(Br)cc(Br)c1Br 2085495241 JDCDKNCMJGDMFV-SNVBAGLBSA-N 524.316 7.597 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@@H](Br)C(F)(F)F)c1cccc(Br)c1 2106789399 YFKQDJFRFIDUCM-CQSZACIVSA-N 504.185 5.496 50 10 KKGE CCC(CC)(CC)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472503 FDWOKYQURKWAKC-ZDUSSCGKSA-N 584.810 8.389 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2C[C@H]3C[C@@H]3C2)c1Br 2141474549 BPTFGWNSQMCDAV-XHNCKOQMSA-N 580.778 7.609 50 10 KKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1Br 2166828351 LGESQJINAOVWAD-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 2201068073 DANTVFDEMOUYOI-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC23CCOCC3)c1Br 2206396234 UQHXVTAIIQZMOP-CPCISQLKSA-N 596.777 6.989 50 10 KKGE Clc1ccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206401040 UYPSLUIKFKNFCV-VIFPVBQESA-N 611.191 8.069 50 10 KKGE Cc1cc([C@H](Br)c2csc3c(Br)cccc23)ccc1I 2207104551 RVAICKQNVKBBKE-HNNXBMFYSA-N 522.043 7.061 50 10 KKGE FC1(F)CC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2212201243 VCRJPZADPAWETC-CLTAVNFZSA-N 503.826 6.312 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1C 2221824597 MCBLIXMYXKUCDT-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)c(F)c1Br 2227808119 VQBAPOFVSAFJOQ-SECBINFHSA-N 543.822 6.937 50 10 KKGE COCC1(COC)C[C@@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2238396163 WWPLGANBAWFAHA-JGVFFNPUSA-N 511.501 5.800 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243591296 RMPWZLRLEGHBOY-OAHLLOKOSA-N 506.609 5.761 50 10 KKGE COc1c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)csc1C 2287319543 YXIBEVIGHYEELH-GFCCVEGCSA-N 568.350 7.443 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)c(Br)c1 2288352067 FOFPSXZQOUQKLO-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295273998 FAOORZVAQLNAMS-LBPRGKRZSA-N 505.834 7.289 50 10 KKGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2296147320 YDVPVBZDIPDLFO-UHFFFAOYSA-N 586.442 5.059 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507019 PMZPNAMFKZDPFM-QFIPXVFZSA-N 522.399 5.653 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507042 QFSDJSHFHMHFRC-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2ccccc2Br)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647808 AIUVLRVGEUQZFT-UHFFFAOYSA-N 612.436 5.318 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2297458567 DNCHLNOAKYPPKO-NRFANRHFSA-N 516.381 5.468 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1C#N 2313567551 LPDORACNWGVXNG-UHFFFAOYSA-N 512.997 5.055 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1 2313571547 YRSGEQOXRFDECX-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 2314488660 MBEVERHMASYBKF-UHFFFAOYSA-N 614.477 6.769 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592923 DPORNIZGLHNIBH-SIBVEZHUSA-N 550.511 6.914 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C(C)=C(C#N)C2=O)cc1OC 2314617355 WSDVNSJJWBEKNI-UHFFFAOYSA-N 586.692 6.317 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314619016 YFCPRRFZPXGNAD-VWLOTQADSA-N 522.605 5.018 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640686 NFTCTSLXXADDCS-HKBQPEDESA-N 534.999 6.756 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314640792 ZWDLCQWMPXERRN-JGCGQSQUSA-N 548.570 6.250 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 2314643104 BHTFTLQHHPVKNR-XIFFEERXSA-N 562.597 6.640 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)cs2)c1Br 2315447494 OENRNTVRXKGDJS-VIFPVBQESA-N 542.287 7.312 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OCC)c1OCC 2331404985 AVQDDTLEJUMKLL-UHFFFAOYSA-N 516.619 7.118 50 10 KKGE Cc1sc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337088588 NOBQICOUPMAYCV-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)ccc1I 2360427165 RSUPAACLRUOXKF-NSHDSACASA-N 617.703 7.746 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360427275 SXSJUBXFTRKWLA-NSHDSACASA-N 509.797 7.281 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cn(C)c(Br)n2)c1Br 2365188200 IZLZHXDPUARRCA-JTQLQIEISA-N 531.868 5.509 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1Cl 2365189560 WDEDULVCTIXDCW-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 8872255 AAIKFBMDWNFJMI-UHFFFAOYSA-N 588.538 5.762 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 38659600 FSDAWKMOJQBRAE-SSEXGKCCSA-N 506.558 5.613 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCC(C)C 38684156 CSAQEFLSIGMSIV-LJAQVGFWSA-N 514.578 5.241 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 38686534 BHIIQLOQEYVIRL-HKBQPEDESA-N 518.569 5.777 50 10 KKGE Cc1cc(Oc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc(C)c1Cl 40659361 TTWWANMQHKDYQK-UHFFFAOYSA-N 503.946 5.723 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 40853108 SMIBIWCZAFVPDJ-GZTJUZNOSA-N 516.388 5.210 50 10 KKGE CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 97437065 KYOMJMPBAWEAKT-BSSRNLCFSA-N 515.566 5.717 50 10 KKGE COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)c1 100335122 MCFKHBKVNJHVPS-SDNWHVSQSA-N 510.369 5.673 50 10 KKGE O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccc(-c2ccc(Br)cc2)o1 101007934 SEOCDWJNTBAEBG-UKTHLTGXSA-N 522.311 5.352 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc2ccc(Br)cc2c(=O)[nH]1 101034196 DHWLEMJKTIEGQA-HMMYKYKNSA-N 544.412 6.756 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242208 PJXRIDIRNOEBEQ-MZOFLMDJSA-N 540.472 6.452 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101336436 BETLKEZSEBGTND-RDRPBHBLSA-N 543.627 5.906 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101337663 LOCCJQZVSNNREU-MLLNQDGASA-N 584.720 7.626 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 101340819 PAAPRMIDTVMOAX-VUTHCHCSSA-N 577.084 7.164 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373892 CRFHDNCOSYKFGG-XVWBKBPCSA-N 579.480 7.408 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101374493 RVSIVKBUPLXIJF-PMERELPUSA-N 573.602 5.765 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCCC(C)C 101375162 URPWJKCQLJDGGT-KCEHZKJRSA-N 570.686 6.664 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 101377667 PQACVZQQFGNQAM-MUUNZHRXSA-N 561.476 7.236 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc(C)c1Cl 101380933 UOARFGTWGGXKLX-WJOKGBTCSA-N 585.031 6.878 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382143 YOYOGHPXZYADNI-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccccc1F 101388868 NXSFAODWZHJBSU-MGBGTMOVSA-N 596.611 6.015 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)sc2c1 101391751 MDVVMPXEJRUMGG-QFIPXVFZSA-N 517.950 6.209 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccccc1Br 101394017 FBTSSPXRHARRAQ-HXUWFJFHSA-N 606.712 8.061 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398234 YWAJPIYLIZPWTI-LJAQVGFWSA-N 587.459 7.327 50 10 KKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccccc1Br 101450831 KSKHWTJYWPYSQA-UHFFFAOYSA-N 531.676 5.320 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612435 SYICACIQYNJXOG-UXHLAJHPSA-N 522.335 5.661 50 10 KKGE Cc1cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)ccc1Cl 101647187 XNJLRQKSJXBBJI-FAJYDZGRSA-N 547.236 5.510 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Br)cc3)nc12 102851331 XHLJNUKKUGSUCR-MOSHPQCFSA-N 601.276 5.659 50 10 KKGE CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 103878759 UIQQWJZXWWEKTL-FADJLKOXSA-N 544.655 6.801 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc(F)c(F)cc1Cl 104988792 HWGKCAYCMXWZQY-RRAHZORUSA-N 522.708 5.201 50 10 KKGE CC(C)(C)NC(=O)N/C(=C(/Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110442141 TTZSBKVMWZGVLD-ZQHSETAFSA-O 580.541 7.889 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 150463530 UOANGYSVNZYSSO-HKBQPEDESA-N 647.909 6.893 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1c(F)cccc1Cl 150468944 XBVDQEQWWGUPIJ-MRXNPFEDSA-N 623.078 7.949 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)s1 161108268 ATHXXEBNQYBTRP-NSHDSACASA-N 503.879 6.828 50 10 KKGE C=C[Si](C)(C)O[Si]12O[Si](C3CCCC3)(O[Si]3(O)O[Si](O)(O[Si](C4CCCC4)(C4CCCC4)O3)O[Si](C3CCCC3)(C3CCCC3)O1)O[Si](C1CCCC1)(C1CCCC1)O2 196302393 LOBZRAJXPONROZ-UHFFFAOYSA-N 959.697 10.290 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 198065951 WSLXELDTGBUMGR-YBFXNURJSA-N 560.775 6.895 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 206399248 QGFGZLFHKJDEHQ-VEILYXNESA-N 532.596 5.878 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 214314104 HYMNWYUWXJUULT-QQXSKIMKSA-N 504.546 5.323 50 10 KKGE CC(C)(C)[Si](Oc1ccc([C@@H]2[C@H](CC[C@H](O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)(c1ccccc1)c1ccccc1 215739623 MUXDGYNFNRDXRZ-XEZIGOATSA-N 647.838 8.122 50 10 KKGE in-vitro O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1-2 218462432 BFPBFISLGKUIFF-UHFFFAOYSA-N 732.756 9.434 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)c4ccc(Br)o4)c3)c3ccccc3n2)cc1OC 252637828 XXDJBIDHCGLVOO-UHFFFAOYSA-N 613.468 6.681 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4C)cc3)cc2)cc1 254701731 SCIHHULCTAAYMD-UHFFFAOYSA-N 527.602 5.087 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2OC)cc1 254874645 NYUBJDHPUKXPST-HXUWFJFHSA-N 635.739 5.545 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 256018184 DVHSHFQBPVWLFS-GXBQEJFZSA-N 521.577 6.491 50 10 KKGE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCl 616576096 DIPQDDRSUCQCHV-QHCPKHFHSA-N 517.022 5.328 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616590419 RALYOFHHSKCHRY-DYSPUSOSSA-N 662.852 7.227 50 10 KKGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@H](CCCNC(N)=O)C(N)=O 669117323 RFBGUFDKKIFDDF-GPOMZPHUSA-N 766.808 5.509 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2F)cc1 725415519 KJJRBOWIOFBGCR-UHFFFAOYSA-N 566.054 5.712 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083817478 GEYKFJRDKMXPMQ-IVBRNKFMSA-N 702.964 7.691 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 1083946113 FOUYOACUXYHNPX-UHFFFAOYSA-N 672.443 6.003 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1 1084132599 YNIXSGFHPRHRAW-WSDLNYQXSA-N 552.412 6.350 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc2ccccc12 1084150648 RYMOLJNXWWRVBY-JGCGQSQUSA-N 566.698 6.909 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084241807 RKWNIYOCGPELJZ-DEOSSOPVSA-N 565.881 6.597 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 1084639479 DQBCTCUENHJAGN-JOCHJYFZSA-N 578.834 5.496 50 10 KKGE COc1cc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)ccc1OCc1ccccc1 1614477390 RDANHODOFZSFTR-BRJLIKDPSA-N 534.204 5.269 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614694623 PYESVRNEJCYLGF-YOEHRIQHSA-N 524.162 6.119 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751636 VQHNNYBHWDMHPN-UHFFFAOYSA-N 542.639 6.449 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OCC 1865689792 WUBBMOYNQVPBFX-HHHXNRCGSA-N 540.595 5.762 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695504 PAFWHPYCRVAWRK-MHZLTWQESA-N 507.594 5.334 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699512 WAMNGFVZSRPZAP-AREMUKBSSA-N 556.453 6.624 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702038 LERLPJQTMYILOP-AREMUKBSSA-N 560.485 6.919 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705635 ANFZBDUKKQGEBG-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711691 FVYBXXRJPYHOAA-NDEPHWFRSA-N 552.631 5.468 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865714393 JEHHOVJSZIZJFE-OAHLLOKOSA-N 530.131 6.179 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 1865715033 UCGJJCBPAVIFAB-OAQYLSRUSA-N 548.238 6.282 50 10 KKGE Cc1nnc([C@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867026799 FEMYXCAXNZQESF-CLJLJLNGSA-N 557.701 5.530 50 10 KKGE CC[C@@H](CC(=O)N[C@H](CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867138575 RRUWZIFKQDCOKV-MGPUTAFESA-N 504.450 5.448 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)CC1 1868231289 BJRRORVIBVWKET-UHFFFAOYSA-N 502.688 5.680 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868301765 XATLJHAQBMHXRE-UHFFFAOYSA-N 536.661 7.136 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743689 HHSHRHQOVGRBLB-CGLBJELFSA-N 505.643 7.194 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Cl)ccc1I 1924040236 OSEAAKABPIYUFG-CLAHSXSESA-N 515.414 6.342 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1924594149 KJCLGHPUADNHBW-VIFPVBQESA-N 542.287 7.265 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 1948827726 CXHRCVWWGRJPKK-JTQLQIEISA-N 571.297 7.015 50 10 KKGE CC[C@H](Br)C(=O)c1c(Br)c(Br)cc(Br)c1Br 1995047102 DSUQRECSHRWPFL-BYPYZUCNSA-N 542.685 6.093 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2COCCOC2)c1Br 2024260614 UDAURITUBRFWKD-ZETCQYMHSA-N 513.871 5.135 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012744 ISLUIHYFJMYECW-VFFZCRLGSA-N 588.509 8.930 50 10 KKGE COc1sc([C@H](Br)c2cccc(Br)c2Br)cc1Br 2034639355 IFURBTMZSQPYRY-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)cc(I)c1OCc1ccccc1C 2053614318 LUGQCINCUDRKOJ-UHFFFAOYSA-N 596.421 5.910 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(I)sn2)c(F)c1F 2056497055 QTIQNIOTZAZAAP-MRVPVSSYSA-N 512.914 5.412 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1sccc1I 2083450028 GWKXDQRBXOFRPH-NSHDSACASA-N 502.009 5.917 50 10 KKGE Clc1cc([C@@H](Cl)c2csc(Br)c2Br)c(Cl)c(Cl)c1Cl 2093948170 UTAXYJSGGQFBCZ-SSDOTTSWSA-N 504.285 8.215 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2scc(Br)c2Br)c1Br 2136368218 VOORMGRNYHKMKS-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE COc1sccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470918 MDXFWHSCEPUIQQ-NSHDSACASA-N 554.323 7.135 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2141473333 NWBFFGQURYGIAZ-GFCCVEGCSA-N 598.774 7.291 50 10 KKGE Clc1ccc(Br)cc1COc1c(Br)cc(Br)cc1CBr 2166829731 DMSFFOFSBGLBSR-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Clc1nsc(CC(CBr)(CBr)c2ccccc2Br)c1Cl 2167230328 AARLSJAJKAIHIA-UHFFFAOYSA-N 522.915 6.483 50 10 KKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2185101213 WUDRUSYHSWKKTK-STQMWFEESA-N 515.027 5.078 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185506036 ASNZRWJLBCGRFU-MOPGFXCFSA-N 514.689 5.477 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2nn(C)c(Br)c2C)c1Br 2201076707 HPOHPBYSYYPTOK-LBPRGKRZSA-N 529.896 6.117 50 10 KKGE C[C@H](C1CCCCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396559 YLIKPVSFWMTZHW-ANRSDYALSA-N 552.370 8.233 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2206402126 OZVYGACSVQNOEA-MEYOVJIESA-N 596.777 7.132 50 10 KKGE CCCC[C@H](C)CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2207146130 WYSRHZMJAOCRGL-CABZTGNLSA-N 554.386 8.623 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(I)ccc1Br 2218801053 QJKQMIKQZQHRDC-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE ClCc1cc(Cl)cc(Oc2c(I)cc(Cl)cc2I)c1 2232093859 LNWCLNZGZPHSKC-UHFFFAOYSA-N 539.365 6.734 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512713 UUZZSOYAPHBUQG-LLVKDONJSA-N 542.707 8.310 50 10 KKGE C=CC[C@@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2272107710 GBRYGKJTYPFNMH-AWEZNQCLSA-N 500.016 5.006 50 10 KKGE COc1cc(Br)c([C@H](Br)c2c(F)cccc2I)cc1C 2282786860 JSQUGHPPYUIVKG-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Fc1cc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)cc1Br 2282907821 SZPPBPXELRFUAE-ZDUSSCGKSA-N 509.797 7.234 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283586547 JBZVPWHIDUUIPI-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 2293202097 BVOHRSPLEHYJPB-UHFFFAOYSA-N 535.975 6.749 50 10 KKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2293202122 GBMKHXQNZHAFPP-UHFFFAOYSA-N 528.505 7.936 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 2297456610 QUZGNDQFDRRNCP-UHFFFAOYSA-N 508.372 6.441 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)n1C 2300268360 WNDJRTLEKMQIHJ-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314414934 RJGZHUZNWFDIFX-UHFFFAOYSA-N 549.627 6.904 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314441020 VIGPZGBYUIBCIE-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2 2314571268 CNGIGQZITHFZBL-IBGZPJMESA-N 500.620 6.174 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Br 2314620195 MGPRUBAQRAMWAL-UHFFFAOYSA-N 613.899 6.756 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123462 AOQFXWAHCALWPH-UHFFFAOYSA-N 504.608 5.780 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1OC 2331412635 QXGJEZWSLZEERJ-WMZOPIPTSA-N 505.596 5.238 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CC[C@@H]3C[C@H]23)c1Br 2333303926 ZAZLLKYXRAXQDO-HXFLIBJXSA-N 580.778 7.609 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336050816 NIMYDAUFSRRUPE-HXUWFJFHSA-N 502.580 7.397 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1Br 2337091749 GQEQSOVIULUBMV-VIFPVBQESA-N 556.314 7.621 50 10 KKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCO[C@H]1C1CC1 2349839645 JJRHVLWKYVEDGV-LSDHHAIUSA-N 500.012 5.176 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2304459 QTWRBLUEGFJDEU-RDKICWGTSA-N 522.457 6.675 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1OCC 6167576 MBNIAXQZWUCZFC-JRLUURRCSA-N 635.783 6.407 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14028430 CWSLFAPVVHRHFN-UHFFFAOYSA-N 505.453 5.546 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)cc2)cc1 33383238 LOZGEONFKGFUDZ-NHFJDJAPSA-N 502.618 6.346 50 10 KKGE CN(C)c1ccc(/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1 35999810 ALYIUAJVTVWBHX-FFWFIYGGSA-N 612.518 5.480 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38679941 FFAONYTWNLXVLB-HSZRJFAPSA-N 515.780 6.158 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 38681180 NIJGRUXSIDZFIL-MUUNZHRXSA-N 512.562 5.486 50 10 KKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40961658 PCUKUDUEUMHNDP-HRJIBFCWSA-N 509.444 6.243 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48572771 ZMLHBITXWDBUHK-KBVAKVRCSA-N 505.401 6.915 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 58889256 XWEQWVQFTZSWSI-MGCJZSHXSA-N 519.798 5.785 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 59116752 WOPASKVQVUAPOR-YVLHZVERSA-N 502.195 6.881 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)C(C)(C)CCCOc3cc(C)ccc3C)cc2)c1 66201422 OAHGMBYATHOHFS-UHFFFAOYSA-N 501.627 5.511 50 10 KKGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100149970 ADINPOMVCYDYNT-UHFFFAOYSA-N 546.693 5.221 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100236118 IGLUMQQMQCVZID-HOFFDHMBSA-N 595.490 5.817 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1 100237728 YDJSCPBYQXMDQZ-JFFJSXPNSA-N 606.432 5.381 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(Br)c1 100288077 YEJAYCRDISFUSI-GOSISDBHSA-N 538.442 5.363 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242522 ACNTYSBNGZEEJK-YDYXIROLSA-N 541.551 5.440 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101293431 DHXCGQANZRSBTQ-UMSFTDKQSA-N 588.660 6.975 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1 101367479 AFHLVAOSVVRTKY-MGBGTMOVSA-N 562.622 6.094 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367566 POGNJHGRKRYBJB-HKBQPEDESA-N 553.014 6.294 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCCC(C)C 101375208 UTYWDEYBJPHNRV-DHUJRADRSA-N 588.704 7.466 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381197 BWJQXJOUNWBXFV-HKBQPEDESA-N 603.458 6.784 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382883 NNGUQYCAJRLPKM-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388162 YOHOKFSMRJREGE-PMERELPUSA-N 621.904 8.062 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388497 KYIVPVQMLHQRKU-DVKDTXSKSA-N 579.052 7.155 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101388892 VPXNSEBBJTUFRS-WSZBJRLPSA-N 576.624 6.949 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389821 SMQVQIYZVIWZKB-WGFMWXCZSA-N 613.497 7.808 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 101391870 CCVJJIBCWANUBY-OAQYLSRUSA-N 538.368 6.554 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)c(C)c2cc1C 101396379 HYCIOSARVZFQKA-PMERELPUSA-N 536.628 7.220 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)OCCCCCC(=O)NNC(c1ccccc1)(c1ccccc1)c1ccccc1 102214983 OAKWSYZADVBZGB-UHFFFAOYSA-N 588.733 7.452 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 103879102 BVABHXVTPBHNRQ-GOJREDGKSA-N 543.667 7.503 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl 104992850 NTAHPBNVFCAYTH-QFSHWATDSA-N 511.472 7.503 50 10 KKGE O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1 106804773 MPYFOPBFHMGXPI-QBDOPFNQSA-N 544.615 6.780 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 150430856 RQWHGCNEMJNUTN-XACFZUKVSA-N 729.309 5.746 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432925 JWZPKDRCVKEBCY-ACHIHNKUSA-N 645.495 6.935 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 150482130 ACCFSQILMYNQTI-MHZLTWQESA-N 642.004 9.648 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)cc2)c2ccc(C)cc2)cc1Br 164601583 GCJMHIONYJTOBS-RUMWWMSVSA-N 651.539 6.224 50 10 KKGE BrCC1(COc2c(I)cc(I)cc2I)CCC1 166133820 OFPMVNIEZZVINU-UHFFFAOYSA-N 632.843 5.444 50 10 KKGE COc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c(OC)c1 252625589 QNISXXMQFJGKPS-NRFANRHFSA-N 566.687 5.681 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254386005 PURWEHRJOWNNHC-UHFFFAOYSA-N 539.544 5.409 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254395264 MMFQGCVOISFRCK-UHFFFAOYSA-N 562.626 5.210 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 254735289 YJASPBDVFBPQJW-DFISEUOBSA-N 549.121 6.108 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 254821515 RTUJIWLDSGYMKR-UHFFFAOYSA-N 516.638 6.157 50 10 KKGE C[C@@H]1C[C@@H](C)CN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)C1 256022821 ONDBTBALYALFPH-CDXAIKFWSA-N 500.113 5.177 50 10 KKGE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382686974 GFHXHTVIWQEKJL-MAUKXSAKSA-N 530.200 5.245 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616328 JIAFIVAKARUNQS-IBGZPJMESA-N 542.880 6.709 50 10 KKGE Clc1sc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 721595039 SBAGUINJDUDQJO-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Brc1cc([C@H](Br)c2csc3ccccc23)ccc1I 721613404 LUUSDDKUMAEDJC-HNNXBMFYSA-N 508.016 6.753 50 10 KKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(C)cc1Br 721615755 SMQGUCMKTDZHSM-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE CN(C[C@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)C(=O)OCc1ccccc1 725238916 TVUKNKXEEKJCLZ-QFQXNSOFSA-N 608.082 6.197 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069152 YYGPOUVOBLNWHS-LAVBCGMRSA-N 629.175 12.649 50 10 KKGE O=C(COc1cccc2cccnc12)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1083927225 WXCUVFLCAWFKPR-UHFFFAOYSA-N 567.605 6.797 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)Cc2ccccc2)cc1 1083929450 VFYQHNXAKIBDAI-UHFFFAOYSA-N 558.704 5.061 50 10 KKGE COc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 1083942042 AYWPYJOGPHVIEA-UHFFFAOYSA-N 578.872 5.982 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc(Cl)cc3)c2C)c1 1083977265 RJIHPUQVKZKFBL-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C(C)(C)C)c1O 1084152635 BSNWOGKNDBZSPH-UHFFFAOYSA-N 570.797 8.497 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1Br 1084185561 HCXSWIPTVWJWJQ-UHFFFAOYSA-N 601.520 6.970 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1084303862 BDXZMVRJGHXFJT-SFHVURJKSA-N 508.449 6.363 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)cc1C 1084308580 DOFPOKFRCSNFNN-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 1084381737 VCJWPUKMYYJSGK-UHFFFAOYSA-N 536.994 6.101 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1 1084498456 LFJHRHUWDAHQPA-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 1084613460 FQWQHADQPVHAMR-UHFFFAOYSA-N 524.964 7.038 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748267 KBDJGLJSMPNSPN-UHFFFAOYSA-N 528.612 6.377 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](Br)[C@@H](Br)C(=O)O 1848435901 JOLREBYKWXMPHC-WWPJHQMMSA-N 700.443 8.090 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC)[C@@H](OC)[C@@H]1OC(C)=O 1848438048 RRWCFRRJDLLSIP-NWBQTEKMSA-N 628.747 5.082 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688612 WOWVEOUGIPXTKD-GDLZYMKVSA-N 555.078 6.386 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691463 SMEJKCKJEDFCNC-QHCPKHFHSA-N 578.994 6.929 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696771 KDUVWEDKOSOPPA-QFIPXVFZSA-N 541.421 5.411 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1865701461 WCKUUBFROSWPAO-MHZLTWQESA-N 547.442 6.352 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865703276 SCPMNAZGWPMDNP-GDLZYMKVSA-N 520.633 5.998 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705142 NJRSIBLDKRODNN-MUUNZHRXSA-N 520.633 6.247 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711176 RQBPXGPSDNKJIQ-HSZRJFAPSA-N 520.486 5.983 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711397 XLJKZJRLUIWRJV-QHCPKHFHSA-N 513.395 5.837 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)s1 1866634627 JBYHDFZSDQJOOD-QHCPKHFHSA-N 547.687 5.442 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866642772 JBOSOVRBWDYTTD-AREMUKBSSA-N 528.609 5.579 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866796981 RPCFLRUFHUQVLJ-DEOSSOPVSA-N 568.468 5.881 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867128417 HLYQXUAWHACBCV-XRKRLSELSA-N 588.104 6.949 50 10 KKGE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200502 HEWGYWRWOREOQQ-NDEPHWFRSA-N 545.068 6.037 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415005 SRCYBUYPQWZVBV-OAQYLSRUSA-N 576.147 6.804 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3c(Cl)cccc3Cl)nc(O)c2cc1OC 1872727453 BRZYWCHFOVGZEJ-MHWRWJLKSA-N 538.387 6.311 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915095647 ZLHXNXBEAGCAAM-GFCCVEGCSA-N 530.109 6.120 50 10 KKGE Clc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924590187 HWWXBKIKTWJFPZ-SSDOTTSWSA-N 538.324 7.368 50 10 KKGE FC(F)Oc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924601935 PUYGCXAEXSGYIY-VIFPVBQESA-N 511.407 6.965 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CC[C@@H]3C[C@H]23)c1Br 1924613971 MCASUPGJDXZYNF-NGJRWZKOSA-N 507.911 6.908 50 10 KKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614631 PPTJNSPLTQNJRS-VXNVDRBHSA-N 511.943 7.544 50 10 KKGE CC(C)(CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924615674 FBGKQKJXQLSSMK-ZCFIWIBFSA-N 537.859 7.450 50 10 KKGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1 2055470981 IRHPAVCNBONRKT-BGYRXZFFSA-N 665.212 5.890 50 10 KKGE C[C@@H]1[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085497226 ZOEJXGVZVRQNPM-GMTNETGZSA-N 532.242 6.918 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2086377971 KHLMNAGSOJYXCA-CYBMUJFWSA-N 502.009 5.998 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2094090997 NVGPQUIPPDGTQR-CQSZACIVSA-N 576.746 7.529 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(C2CC2)c(Br)s1 2113351117 LVNQUGVXEMRUHI-ZDUSSCGKSA-N 516.011 6.616 50 10 KKGE COc1cc(C)c([C@H](Br)c2c(Br)cccc2Br)cc1Br 2198725731 BUGCZXDGCVWLAX-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(C)cccc2Br)c1Br 2201072523 VMEJDCOFOWIEFY-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1csc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2218598160 QSFQAJBIIOFUSC-NSHDSACASA-N 521.869 6.967 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2233195259 WXCPCNKYMXBMLH-CCBCZWRWSA-N 552.326 6.832 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)cc1Br 2240907674 LJDLJZDGWGZINH-HNNXBMFYSA-N 501.871 7.506 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277888470 KBGDTGCXEVDLRU-LBPRGKRZSA-N 531.933 7.331 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 2288356266 PZKJGHXNGKVSIH-GFCCVEGCSA-N 554.248 7.343 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Br)cc2)C1=O 2293198427 OGNORGYGGMXMBZ-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198471 WLDPMPVKVZANKP-SFHVURJKSA-N 536.245 5.201 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OS(=O)(=O)c1ccccc1 2294510975 JQIJMYLGFYGYSP-UHFFFAOYSA-N 536.915 5.681 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 2295483030 SPSWAVWFDZDSAB-UHFFFAOYSA-N 553.062 5.906 50 10 KKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1OCC 2295669866 CFAVOSZWZGZRSU-UHFFFAOYSA-N 507.406 5.419 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)s1 2299495150 JYTMWMXQKZRKLM-KRWDZBQOSA-N 507.074 7.881 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1 2313510893 BUQKMTVTGICNPA-UHFFFAOYSA-N 565.367 5.305 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 2313521452 PFBUHGGDKCCDQD-UHFFFAOYSA-N 503.223 7.798 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571260 QYFDTYSYZCPWLP-UHFFFAOYSA-N 720.088 7.235 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 2314476269 LTTZTYCNLUGICD-ZEQRLZLVSA-N 581.698 5.191 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2314489306 RXDFEFNSLCKFGG-UHFFFAOYSA-N 512.547 5.836 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592318 QQUJMAMMHDWTNF-QHCPKHFHSA-N 538.456 6.457 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593637 QJAOVJVEZUIYCC-RUZDIDTESA-N 551.590 5.847 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314617453 YRNYMVLVYFHLOJ-UHFFFAOYSA-N 506.606 5.863 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314618921 WUGZRASKUZLCRF-OAQYLSRUSA-N 529.556 5.801 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(I)ccc2Cl)CC1 2327240339 MYLLUUMBISTEJO-UHFFFAOYSA-N 544.655 5.626 50 10 KKGE BrCCCCCCCC#Cc1sc(Br)c(Br)c1Br 2327870678 JCRZFBOIMCEKJG-UHFFFAOYSA-N 521.938 7.123 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331305465 GFYBTKHSIGFKTI-CYBMUJFWSA-N 505.821 6.885 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331404003 YEUDDONVHFKNRW-JOCHJYFZSA-N 519.648 5.646 50 10 KKGE Fc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Br 2336047926 PTXZCKFFUFZSLR-HXUWFJFHSA-N 519.035 7.911 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2340800291 ZKBGYMIOEZLBBD-FQEVSTJZSA-N 519.035 7.958 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2353086879 MXACYFRCOAVCMR-NRFANRHFSA-N 515.072 8.128 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362236368 PDXNTWXVRCSVCK-SNVBAGLBSA-N 554.248 7.390 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Cl)cc1I 2365595019 FSMVTQJEZKADFA-GFCCVEGCSA-N 528.801 7.481 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(I)c(Cl)c2)c1 2366887112 CNGYPOPPLZTWAK-CYBMUJFWSA-N 504.420 7.320 50 10 KKGE BrC[C@H](CCc1ccccc1)Cc1ccc(I)c(Br)c1 2377334061 GIQNDFCJSHEFFM-OAHLLOKOSA-N 508.035 6.240 50 10 KKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2380890502 XKRYWBFHPPCGMB-XOGFGSHOSA-N 564.259 7.605 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888317 NIHMRBKPSUPJDZ-BSSRNLCFSA-N 506.002 5.264 50 10 KKGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(Cl)cc1Cl 3131251 LQBICGYHWJMSAV-UHFFFAOYSA-N 558.883 5.843 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651518 WGQVXNCZIWVKQM-VWLOTQADSA-N 519.395 5.921 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)c1 38659627 ISPHFUPGHAJOEW-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38684004 WOTDFMFZGYONEP-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38685308 OLGXRYGYORYIQO-NDEPHWFRSA-N 502.542 5.597 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCCCC)cc1 38686124 AIRDZDHJAMWPQY-GDLZYMKVSA-N 510.590 6.258 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 38686690 LVLMPQLNXXNYJB-SANMLTNESA-N 514.990 6.418 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 58891957 HIGRUDXMTBIWDC-XQFNZYGSSA-N 521.455 6.029 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Cl)cc1Cl 59304480 WNRCRDUFZAVJAF-KBKYJPHKSA-N 505.199 6.674 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 97968671 UGKHXOVALLJLCC-BOJFNEGLSA-N 563.293 8.015 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 100227394 YRKQNGXQUNIDHA-QGFINPQDSA-N 608.476 6.386 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 100319520 YSKHCDCPCQXNEO-WQRHYEAKSA-N 576.368 5.348 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335469 XXUKLLFUSSTEEX-RGVLZGJSSA-N 536.382 6.107 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NCc1ccccc1 101012141 PZWHMJMSIDAAOG-IMRQLAEWSA-N 545.042 6.995 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 101333533 USQSJEOTYRXMAD-NLRVBDNBSA-N 540.639 6.640 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101334739 WLOIWPWESVRAOJ-STBIYBPSSA-N 560.629 6.506 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCC(C)C 101374368 GVAHHPZJNQDSLS-GDLZYMKVSA-N 549.023 5.894 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101375099 GUDMIUVFAFNOHC-WJOKGBTCSA-N 591.104 6.983 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101376274 FTAPZFMVZYMVAV-NDEPHWFRSA-N 553.442 6.765 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380447 SYEVIAMEJQLLMP-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380984 KEQMJWZBMPUJME-MGBGTMOVSA-N 564.613 6.731 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384350 QTRXXLBKSAQLNU-JGCGQSQUSA-N 542.566 6.995 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387671 IGATYIMRNBUYOF-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388749 XQGHBPPODIUQFI-YTTGMZPUSA-N 601.486 7.337 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101396385 PXGXEDDMTUEFGB-AREMUKBSSA-N 553.442 6.864 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396643 ZVAPVDKAAFDORE-QFIPXVFZSA-N 571.869 7.698 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)CC1 101398158 OXHYCXDSANBCKM-GKUDLEPASA-N 536.672 7.386 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)CC1 101398578 KVSYMQDBNMLGSB-HXPLHXQISA-N 571.117 8.039 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c(Br)c1 101600472 MDRQPTDWPHEPBV-ZXVVBBHZSA-N 525.359 5.290 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611828 XVQOSQKYQXTNPA-NDZAJKAJSA-N 530.408 5.781 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1Br 101683935 WZYCINBVLSQEDQ-CXUHLZMHSA-N 590.224 5.021 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(C)cc1 101766282 RRSMVNINRXVPNZ-OKCVXOCRSA-N 539.470 6.172 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 102933353 OKPACJIYZJSRSE-WQRHYEAKSA-N 526.774 6.444 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743100 RZLSUHJYYASERO-ZDDKYUFNSA-N 536.484 6.087 50 10 KKGE COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103878704 BYLWJSDMMRHBLN-KBVAKVRCSA-N 576.447 5.540 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(CC(=O)N(CC)CC)c3ccccc32)cc1 104998942 UWEZXGRKBAAOBC-OVXWJCGASA-N 534.701 5.555 50 10 KKGE CCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 105065760 NRSNRAMCTYQAOZ-AWSUPERCSA-N 551.573 8.453 50 10 KKGE O=[N+]([O-])c1ccc(SC[C@H](Cl)CS(=O)(=O)C[C@H](Cl)CSc2ccc([N+](=O)[O-])cc2)cc1 105418071 UZQMLBRYBSVAPP-OKILXGFUSA-N 525.457 5.017 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 110559443 QCAXRIFYIQJPJA-IKUOUCRASA-N 595.725 5.904 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1 145822201 IAEFJGPZEPGPGJ-HMHVFHPLSA-N 548.855 11.727 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442534 AQEKGGDOKFWJSY-HMFMVHCKSA-N 858.898 6.135 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1 150460159 CTZFROLBAUOZCN-HKBQPEDESA-N 637.486 7.529 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1Cl 150462047 OZWKTRFMNHWQTA-MGBGTMOVSA-N 728.456 9.894 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 150470522 YYRLODOVNCAUGC-CAOOACKPSA-N 621.494 6.226 50 10 KKGE Cc1ccc(N2C(=O)/C(=C\NNC(=O)c3cccc(NN/C=C4\C(=O)N(c5ccc(C)c(C)c5)C(=O)c5ccccc54)c3)c3ccccc3C2=O)cc1C 150471631 AZNLZLZAFQEWJA-PXDBBHOGSA-N 716.798 6.527 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 164720832 MPEHHDSTUMHYIF-NVMNQCDNSA-N 618.225 6.395 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214299665 JBTOZGCNRUSTJN-VEILYXNESA-N 538.648 5.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214388362 KPLFHZPYEAIHIR-KMTRPZSJSA-N 675.767 5.481 50 10 KKGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(Sc3ccc(Cl)cc3)o2)s1 252593859 BNIWWVBCJLQPMX-UHFFFAOYSA-N 512.016 5.189 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 254594292 BDJAOKYULIOBJM-JQAAHQTISA-N 604.707 6.072 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 256392976 UHCDRCBBCZLXBO-DVMPVUGFSA-N 641.186 12.671 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Br 380172331 BJXKEPFGBYBHPY-CQSZACIVSA-N 528.409 6.126 50 10 KKGE ClCc1cnc(Oc2c(I)cc(Cl)cc2I)c(Cl)c1 382169425 JKYLOUFNKYYFPL-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589860 ZATGYRPVDYINRF-NWAHQLIBSA-N 660.840 5.624 50 10 KKGE Clc1cc([C@@H](Cl)c2scc(Br)c2Br)c(Cl)c(Cl)c1Cl 705473513 AQZWJYUNGMKPJC-MRVPVSSYSA-N 504.285 8.215 50 10 KKGE Cl[C@@H](c1cc(Br)cc2c1OCCC2)c1scc(Br)c1Br 705477672 URQQEDPDNSPXLA-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 1083920359 YIXPVNUTIYFXIK-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1C#N 1083946785 XXUAQLWMJXGOIV-UHFFFAOYSA-N 514.379 6.138 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1083979238 ZTEAEQNRXVHPMS-UHFFFAOYSA-N 599.474 8.011 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Br)c3)c2C)cc1 1083980721 JXTWYCGHOAMPLK-UHFFFAOYSA-N 549.332 6.311 50 10 KKGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084122639 RTKQPVBTYNVRJR-UHFFFAOYSA-N 511.582 5.252 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084144085 LVHCSZJVVANUMB-UHFFFAOYSA-N 604.798 6.177 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1 1084374562 RXWTUUCRASEOIP-UHFFFAOYSA-N 543.645 5.004 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 1084576260 LCGLEKJYYAVLIE-DEOSSOPVSA-N 525.443 5.699 50 10 KKGE COC(=O)c1nn(-c2ccc(OC)cc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OC)nn2-c2ccc(OC)cc2)s1 1084632772 IZJOAYDYELCYBN-UHFFFAOYSA-N 744.902 7.036 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2OC(F)(F)F)[C@@H](CI)C1 1614627002 TVXSQKKPZHSBFF-RDJZCZTQSA-N 505.274 5.372 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682328 MCGUAZGQJBVZMM-HHHXNRCGSA-N 516.557 5.633 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688122 JXSRWSRRBMKWIJ-GDLZYMKVSA-N 555.078 6.386 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865691124 JZPGZDRJFPGRRW-NRFANRHFSA-N 532.950 6.009 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865691449 SCFZIIRKNARUBM-SANMLTNESA-N 506.562 5.339 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865691934 FIGXXGQARVVUFM-FQEVSTJZSA-N 577.401 6.118 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865692027 HOLLXGJKIKLARS-VWLOTQADSA-N 565.512 6.361 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865695041 IEJIZYVEOPJEKE-LJQANCHMSA-N 504.896 5.229 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695084 JKZNPWXNTNXQLA-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OC 1865695398 ODILDGNUNPZXPO-AREMUKBSSA-N 524.577 5.182 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865696139 KFXOOTHOUYFBPJ-QHCPKHFHSA-N 526.559 6.054 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696996 MTWWBNMUEAATIR-NRFANRHFSA-N 578.294 6.520 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701032 KCPGEVUQUSOEBX-RUZDIDTESA-N 537.834 6.938 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706721 DCXIMZWMDQRHLF-VWLOTQADSA-N 543.023 5.810 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711415 XXNXWRFKZMYOBV-OAQYLSRUSA-N 527.333 7.083 50 10 KKGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)c(C(C)(C)C)c1 1865759155 LFECOXUTUJUQSJ-UHFFFAOYSA-N 500.426 5.810 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1868253606 NIWMULOAMSGSCR-UHFFFAOYSA-N 538.121 5.021 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)CC2 1868301142 LTPIUIWSCJOYKS-XIFFEERXSA-N 555.707 7.930 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)n2)cc1 1868320868 QGHJCYQOQHJYNG-RUZDIDTESA-N 512.082 7.634 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccc(Cl)cc1 1872791840 VGIKNXOJUIMPEF-FYJGNVAPSA-N 503.023 7.432 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873794310 CPKGGNYOGYURCO-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE FC(F)(F)c1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067153 ZDARGSHABKGKER-LURJTMIESA-N 519.427 7.491 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1sccc1I 2029250759 CCGHUIKAJPSJSI-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(F)c1F)Cc1ccccc1 2059312947 RJDLNGMHBUGCOY-UHFFFAOYSA-N 523.443 5.183 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2092329816 AOAUVOHJYNCDGN-ZDUSSCGKSA-N 513.849 6.467 50 10 KKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470192 ZEPLHBZDADAEAU-OBXARNEKSA-N 590.720 7.464 50 10 KKGE CCC1CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141475370 MLXCSHZPSBMXPO-HACHORDNSA-N 582.794 7.999 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCC12CCC2 2206398467 VJZOSYKXSJUFIQ-RTHLEPHNSA-N 550.354 7.987 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)cc3c2OCC3)ccc1I 2207105520 UWDQLFDNPWYEEK-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE Brc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)s1 2229741549 JZYBMQRFIPSHEC-GFCCVEGCSA-N 531.889 6.455 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2sc(C)c(Br)c2C)c(C)c1Br 2235614468 IFUVUIHXALPLEL-AWEZNQCLSA-N 501.509 7.597 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 2239610356 BSHOQQXZRZAOQA-GOSISDBHSA-N 501.327 5.673 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2sccc2Br)c1 2252779177 QISVUUBMNMGRRI-LLVKDONJSA-N 503.879 6.714 50 10 KKGE COc1ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)c(Br)c1Cl 2283552126 LICMQTMZLXJERU-MRVPVSSYSA-N 507.835 5.745 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc2ccccc12 2294155928 HBPFSPNVEDJYFD-UHFFFAOYSA-N 629.281 7.884 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(I)cc1 2294168262 ADEBJUKURQRBBE-UHFFFAOYSA-N 517.370 6.398 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2296507059 RFZQDMCXCAWHCJ-DEOSSOPVSA-N 566.466 6.235 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630868 GTXUYHQAEWRMHS-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C1 2314479359 QGXUDZFDRPRSBU-QFIPXVFZSA-N 565.724 6.634 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591861 GIJVMSZRQNIVJA-SANMLTNESA-N 560.517 6.946 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C)c(C)c1 2314591981 IXJHLGXMHKOACU-HHHXNRCGSA-N 511.647 5.994 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592811 CDIQGLBDCVAPNZ-CRICUBBOSA-N 552.483 6.306 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314616598 FMFWRCUVSJZCOI-UHFFFAOYSA-N 556.590 5.265 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1OC 2314616802 KBJWFHFXJULFQG-UHFFFAOYSA-N 630.745 6.735 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1OC 2331310888 SHTDYOSVZHDXDH-HXUWFJFHSA-N 503.624 5.328 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331459195 XRRNPRVRMDGBMK-UHFFFAOYSA-N 525.432 8.298 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCCN1CCOCC1 2331468783 ZPOPLDWSRUSUJY-UHFFFAOYSA-N 505.640 5.219 50 10 KKGE CCC1(CC)c2cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21 2333242448 OSKDEENVIKVJFO-UHFFFAOYSA-N 616.786 11.116 50 10 KKGE CC1(C)CCCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2349843920 AEQXDVQOFBHHKS-INIZCTEOSA-N 500.056 6.578 50 10 KKGE Cc1cccc([C@@H](CBr)OCc2ccc(I)c(Br)c2)c1 2377609790 AQYHSSAVSLMEHV-MRXNPFEDSA-N 510.007 6.015 50 10 KKGE CCN(C[C@](C)(CI)OCC1CCC(C(F)(F)F)CC1)C(=O)OC(C)(C)C 2381551662 XAAZQKORDAJTDL-JMLCCBQJSA-N 507.375 5.822 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 935117 PZXGELVBTPGRRK-SCIJIFGBSA-N 540.389 5.792 50 10 KKGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14784135 UOBSSXHMEWAPOA-UHFFFAOYSA-N 515.654 5.764 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 33376324 HHULYNLDIRVVKG-JJIBRWJFSA-N 504.026 7.609 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678771 IDCAUDYAHJBKEE-FATZIPQQSA-N 509.331 5.179 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 38679008 LEEPJFXJPKJCHZ-NDEPHWFRSA-N 512.606 6.219 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 40530303 VZWDSGTXZIPLJT-HSZRJFAPSA-N 502.979 6.309 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822983 KCGBODUHGRPKJF-MTDXEUNCSA-N 515.795 5.430 50 10 KKGE CCCCCCOc1ccc(/C=N\NC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 40853835 LLIRPXKGTGHZNO-PKAZHMFMSA-N 501.649 5.927 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC 59305201 GMGCDKOECOGXAF-STKMKYKTSA-N 507.634 6.743 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(COc3ccc(Br)cc3)c(OCC)c2)c1 97499162 ZIDNUMXXKWNGMR-STZFKDTASA-N 521.411 6.371 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 100237186 VFFAHFQRZJULOO-DVMDLWDRSA-N 589.914 6.443 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 100451638 LLJWMKCQGDEQRZ-OADPBGPJSA-N 536.253 6.299 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 100452105 SKKBYZHNLGYTNB-OADPBGPJSA-N 580.704 6.408 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 100883489 FDVOCRUEHPYUKI-MEFGMAGPSA-N 540.623 7.063 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101245043 XJRIFEJKBCVVHV-RWHXMKQISA-N 550.511 7.490 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101332992 JRYXOQOWKRGOAH-WPWMEQJKSA-N 508.622 5.966 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101333207 PVDOBPPKHDDRNF-LFVJCYFKSA-N 510.594 5.339 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101339631 KKKCMDKADWIYBG-MFKUBSTISA-N 514.541 5.060 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 101378225 KMRQAZIGLHFBOV-NDEPHWFRSA-N 529.549 5.366 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380563 SSLMCNITBONJLZ-WJOKGBTCSA-N 536.559 5.780 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388403 DWMGWMOBNMTDBF-HKBQPEDESA-N 567.041 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 101391938 JAPNYIJUABINEA-HXUWFJFHSA-N 562.261 7.952 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101394763 OWFRIIMHWYHEET-PMERELPUSA-N 566.610 6.198 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396343 SHARXWAAVXPNMP-RUZDIDTESA-N 613.950 8.724 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 101398965 HXJQOTJDKZUJMU-SSEXGKCCSA-N 609.103 7.888 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccccc1 101713661 DQXZTXWRDLPJCD-UVHMKAGCSA-N 562.258 5.637 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC 102924194 QLPKSEOMZPIVIY-GIDUJCDVSA-N 525.380 5.769 50 10 KKGE CC(C)(CCl)C(=O)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)Cc1ccco1 103147981 NRDXLAUBEMDZDB-UHFFFAOYSA-N 529.964 5.860 50 10 KKGE O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc2cc(Br)ccc2o1 103877317 YJOZECKFXMTAOD-XKJRVUDJSA-N 541.232 7.269 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103878332 MSULOYLOYCNOBJ-LGJNPRDNSA-N 524.327 5.455 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc2ccccc2cc1O 104990549 KCOGURNCAXOAPF-OLFWJLLRSA-N 518.342 5.128 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151477 NKWDXYSRQDSLRX-HASSKWOGSA-N 580.717 7.369 50 10 KKGE COc1cccc2c1[C@]1(c3ccccc3O2)c2ccccc2Oc2cccc(P(c3ccccc3)c3ccccc3)c21 142572137 KXSCTQSEBVZYDE-LHEWISCISA-N 562.605 8.048 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150463895 CLEFZUVCBFIIGP-LXVMRCOFSA-N 676.795 5.952 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 164641692 JBDZIKWLVWMKMU-QLQYKETESA-N 653.533 7.865 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@H](NC(=O)c4ccccc4)N(C)C3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 195813751 NYYLNLXPSZHDLV-OYMKEHGBSA-N 780.007 7.126 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OC 206236150 HQKIVHYSTOZFBO-YMXYCTNHSA-N 507.583 5.752 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)c1 214227622 NSYSQTUNBWLZME-DIBXZPPDSA-N 508.622 6.111 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 214338040 AJIOVXDMFLZGAI-MPFNCGTOSA-N 542.683 6.694 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C2=O)cc1OC 214371702 DYXGGZVVZIKXTN-IMRQLAEWSA-N 584.632 6.138 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 234862366 OTOULKWSONBNSN-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1ccccc1 252632014 VODVSXKDQOLHQD-LJAQVGFWSA-N 657.705 5.663 50 10 KKGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1 254287374 ZJIYBHFMKLJFKE-UHFFFAOYSA-N 508.574 5.704 50 10 KKGE CCc1cc(=NNC(=O)CCCCCNC(=O)OC(C)(C)C)oc2cc3c(cc12)CCC1(CCCCC1)O3 254288977 XZBMPAIGGGHHSU-UHFFFAOYSA-N 525.690 6.040 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)CNc2ccccc2C)c1 254347653 GGFALMZLJIMMKQ-UHFFFAOYSA-N 559.258 5.610 50 10 KKGE COc1ccc(C=NNC(=O)COc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)c(OC)c1 254450815 ZTLXNPJPXXXHCO-UHFFFAOYSA-N 552.030 6.769 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)=C/c1ccccc1 254482238 ILFWUHPRGANDGS-WNGCSUAXSA-N 523.706 6.838 50 10 KKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 254812810 AAQOJQVDYQPKMU-UHFFFAOYSA-N 592.671 6.413 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(I)cc2c1OCC2 380190868 DQXXWNRXPPKFOD-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE CCC1(CC)[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 382256309 GGWWUCRZFUJARW-VXGBXAGGSA-N 569.446 6.270 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588207 LAVSLNMQPNHPSL-GEHYNWKZSA-N 697.001 9.876 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590365 QXQZQDMMTWVWDX-VVXKLNNTSA-N 654.920 8.706 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616590513 SAHJWPXTHJECLJ-SYJCBOMESA-N 755.034 6.751 50 10 KKGE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085440 AVEUCVNGXYJNAM-WUDHVJAKSA-N 673.041 6.524 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818415 QXQZQDMMTWVWDX-GPARJJCGSA-N 654.920 8.706 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1083853564 WMKGWSPRDJQXSG-UHFFFAOYSA-N 580.635 7.093 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Cl 1083911792 WHHVUIGAIGFZBP-UDWIEESQSA-N 572.830 6.776 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1 1083976947 HJWQTRQKCFJVDB-UHFFFAOYSA-N 578.090 5.658 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc(Br)c3)cc2)c2ccc(C)cc2)cc1Br 1083996598 NSTAVSNALXWOBX-UHFFFAOYSA-N 671.411 6.688 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084225137 PYJMCIOGYSLZKV-UHFFFAOYSA-N 535.431 6.069 50 10 KKGE COc1cc(C(C)=NNC(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)ccc1OCc1ccc(Cl)cc1 1084282524 NCPYVFLSFRDOAQ-UHFFFAOYSA-N 572.061 6.408 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084330896 WONQMAFISHRKKU-VIZOYTHASA-N 648.111 8.038 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084349066 CPPRPMMHUQPBIZ-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE COc1cc(Br)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084359559 FJIACWITTNEIKG-UHFFFAOYSA-N 518.411 5.996 50 10 KKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 1084534794 MMUPWKSDAIGBPM-UHFFFAOYSA-N 643.549 5.773 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084558063 WYZMFRZDWZIRNM-UHFFFAOYSA-N 546.674 6.652 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 1554268803 LTTZTYCNLUGICD-NRYSQFAASA-N 581.698 5.191 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746816 AELIIZHJPBTGBD-UHFFFAOYSA-N 535.771 6.179 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772747483 CISOOGKGYWMVNE-UHFFFAOYSA-N 535.600 5.616 50 10 KKGE Cc1nc(N(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)S(=O)(=O)c2c(C)c(C)c3c(c2C)CC(C)(C)O3)nc(C)c1O[Si](C)(C)C(C)(C)C 1775955852 MVUVOCITBPZQDH-QNGWXLTQSA-N 843.132 9.084 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](Br)[C@H](Br)C(=O)O 1848435899 JOLREBYKWXMPHC-GEBXHLAXSA-N 700.443 8.090 50 10 KKGE CC(C)[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1857792246 FHVCVTKFTVOYBD-LIHJDWACSA-N 952.031 6.352 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)ccc1O 1865681575 QRSLXZQXBIZJHH-XMMPIXPASA-N 559.420 5.633 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1ccc(C)cc1 1865688183 MMXVLAZMZOORNT-MHZLTWQESA-N 522.605 5.600 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865691033 HLOTYFHNZWIRPN-QFIPXVFZSA-N 543.849 5.671 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccccc3Cl)cc2)cc1 1865694442 YHICSSQFGOJKSA-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703522 AHVPLLHDADULJN-AREMUKBSSA-N 531.443 6.598 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867208182 ADXKCMMXEGXJNZ-IBGZPJMESA-N 518.477 5.694 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(Cl)c3)nc(-c3ccccc3)n2)cc1 1868365156 MHIZYNPCQGJZIM-HKBQPEDESA-N 546.099 8.266 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 1872756193 UJUVVDURKWTDCP-PPFHAMGKSA-N 515.635 6.048 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OC 1872780546 CBRJOOUCXNJMJY-HYARGMPZSA-N 525.512 8.167 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1cc(Br)cc(Br)c1 1900371532 ASYLCUICAFGSCY-MRXNPFEDSA-N 516.068 5.407 50 10 KKGE O=C(c1ccc(F)cc1I)N(Cc1ccccc1)C1(CBr)CCC1 1915759354 BPQABBYJGBKXGY-UHFFFAOYSA-N 502.165 5.390 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ncsc2Br)c1Br 1922911553 DLKWWUAAIXBAKA-YFKPBYRVSA-N 510.896 6.285 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1CCOc2ccccc21 1923072841 SEOFXKCOJHSILQ-GZMMTYOYSA-N 501.465 6.929 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924583697 NUKLTNMVUYIOCY-QMMMGPOBSA-N 524.297 7.173 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(I)ccc2F)c1C 2082872317 ZNAILEPLZGSDNQ-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 2083334117 LSQSTZARFJFRBC-LLVKDONJSA-N 582.775 7.591 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 2083334118 LSQSTZARFJFRBC-NSHDSACASA-N 582.775 7.591 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 2085496310 VVWLVSSDPJEXAC-INIFJCPBSA-N 566.751 7.219 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)cc2I)c1Br 2086139611 QTPPYNHGOCRERZ-JTQLQIEISA-N 585.324 7.277 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1Br 2137071726 UDWMLERXXJAEJY-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CCc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2141477173 MPVPBUQVDJSEQP-CYBMUJFWSA-N 552.351 7.689 50 10 KKGE Cl[C@@H](CC(C1CC1)C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2206396518 XVICSVCVDHILFX-LBPRGKRZSA-N 550.354 7.843 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206404803 YNWJDUATUQSUGY-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)s1 2233014098 AMYCRIGVQSWWFQ-ZDUSSCGKSA-N 503.481 6.900 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2F)c(C)c1Br 2235609958 PGRFBXUJRLMPAQ-CQSZACIVSA-N 529.867 7.214 50 10 KKGE Brc1cc2sc([C@@H](Br)c3cccc(I)c3)cc2s1 2263618147 MZSPOYRQCIMYHP-ZDUSSCGKSA-N 514.045 6.814 50 10 KKGE Fc1cc(F)c([C@H](Br)c2c(F)cccc2I)c(F)c1Br 2282889856 XCKNKPBBFFASTF-GFCCVEGCSA-N 523.887 6.094 50 10 KKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2293202186 RUALARPDTKAMNO-UHFFFAOYSA-N 542.532 8.326 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)nc2ccccc21 2296547593 IFGIZIDZZLCRNT-UHFFFAOYSA-N 525.587 7.208 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296789921 BOEVNNMVPUBBAR-LJQANCHMSA-N 521.708 7.184 50 10 KKGE COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=C1C=C(c2ccccc2)SS1 2297449647 XOYGDRLMLXVKAE-UHFFFAOYSA-N 535.515 6.374 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299492897 JHLYDPILRNYIKL-GOSISDBHSA-N 531.107 7.645 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1 2313519028 SGNXOSSSXJYDDJ-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556702 IVPAOQQCFVCRJT-UHFFFAOYSA-N 752.188 6.984 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Br)cc1 2313567650 JRLBMRRBCBPNIO-UHFFFAOYSA-N 531.450 7.009 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(I)cc1 2313570634 BMCOGAZZSPAVPS-UHFFFAOYSA-N 613.666 7.385 50 10 KKGE C=CCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397330 BKUPEHCWBMXHKC-UHFFFAOYSA-N 541.800 5.124 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(C)cc3)c2)cc1 2314478155 HHPIXRNOQQAOHJ-UHFFFAOYSA-N 554.650 7.371 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593930 WBGRNXXCVTZBQR-NRFANRHFSA-N 528.417 5.338 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618503 OQPBXWGHUBRIMM-OAQYLSRUSA-N 549.030 6.555 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314618536 PEZHGJFMFPVOAR-QHCPKHFHSA-N 543.421 5.073 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620943 WQJDCXZCNMIVAI-UHFFFAOYSA-N 567.856 7.027 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643203 HSDXDKQHBJDBAQ-MGBGTMOVSA-N 613.497 7.726 50 10 KKGE CC(C)C[C@@H](CBr)COc1c(I)cc(I)cc1I 2328545355 YSMYXLAXTUDHRI-VIFPVBQESA-N 648.886 5.936 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311806 AHFDGLIKSQOZSI-LRTDBIEQSA-N 512.418 6.620 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)cc2C1=O 2331364706 PLVKGQFAKHCMEO-UHFFFAOYSA-N 501.608 5.626 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1scc(Br)c1Br 2335372643 YSHZSFRJCFRIEB-JTQLQIEISA-N 532.281 7.810 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336072957 QUMHTEYEKOXQRS-NRFANRHFSA-N 515.072 8.081 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2358264770 YCAUZMBBQUPEEO-RFSKQPJPSA-N 552.326 6.832 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)c1Br 2362219850 ANGQEJAHFQQKIN-LLVKDONJSA-N 615.154 8.013 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362251865 CCPPQHQYMPLZBZ-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)n1C 2362485072 HVTIYMXURDWCMP-SECBINFHSA-N 537.822 5.779 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2c(C)nsc2Br)c1Br 2365191882 SAQVISRBWYMYSZ-SNVBAGLBSA-N 548.920 6.540 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)s1 2365594668 AUOREUCNOPOSLU-CYBMUJFWSA-N 506.030 6.633 50 10 KKGE BrCC(CBr)(Cc1ncc(I)cn1)c1ccc(Br)cc1 2381292680 FREQEZBXPRNZAE-UHFFFAOYSA-N 574.880 5.114 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14768689 ICDYBULOCIUVFO-QHCPKHFHSA-N 514.409 5.384 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl 33525045 JANANCSLNHAGFW-PKLHTNMCSA-N 518.404 5.409 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38650731 FJORMFQVALGURF-WJOKGBTCSA-N 516.597 6.431 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 39858901 LVRUTIVSCOOSSB-AQTBWJFISA-N 515.367 5.412 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 58886495 HYYZHQXEAHJADF-SLLOZXFSSA-N 501.410 5.935 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 58893879 MRWUQNVTSDEIHL-ZZJXEYPFSA-N 519.400 6.074 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100174892 MPSZMWIQLWLZMF-UHFFFAOYSA-N 550.453 5.475 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100186743 JYVJVRNWIFFEDH-UHFFFAOYSA-N 603.583 5.876 50 10 KKGE CCCCCCCCCCCCCCCCOC[C@@H](Cl)CO[P@@](=O)(O)OCC[N+](C)(C)C 100310161 QWOGUZHVBMCFPK-XMMPIXPASA-O 501.109 6.932 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869745 VQPPKDCRDXVZSS-QLQYKETESA-N 605.647 6.309 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244626 LZRHLPULRXZNOJ-YMGIJWJESA-N 523.536 5.779 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101333587 LWBOXNRAPRHVLK-RUMWWMSVSA-N 605.138 7.944 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337021 VQCBRKQGGBEXDZ-JXXQQCOQSA-N 536.632 5.489 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101337132 BUXAPMWBQOTWHZ-YEFXCMPDSA-N 588.639 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101338104 JKCIUKAWYRCRIG-TWKHWXDSSA-N 542.639 6.161 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 101340898 RZFSCKRQZXBNEE-JJIBRWJFSA-N 521.057 6.880 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101372361 GLURDQASTPQMOR-APYJYERMSA-N 570.686 6.808 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 101379248 IUCMTRXRGOFQHR-HKBQPEDESA-N 601.486 7.392 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C 101379936 GSKGDZMJKAQOOW-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(C)cc2)c1 101381996 WIRRXRGBSXWAGH-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382667 GJTNZABBNNPGOA-SSEXGKCCSA-N 617.883 6.884 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383121 SJIKVKRVYYIHMM-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101396909 MPSWNJMBICOQQV-AREMUKBSSA-N 579.505 8.214 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(\CNC(=O)c2ccccc2F)c2ccccc2)C1 102093209 ATCWOVOMABUULK-SOAOMDFOSA-N 522.665 5.065 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl 103656083 WBMNJNQNAGDCNU-ATVHPVEESA-N 528.508 5.278 50 10 KKGE N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1F)C(=O)NCc1ccccc1 103882323 RBIKIAGNBAIKJF-GRSHGNNSSA-N 544.218 6.153 50 10 KKGE COc1ccc(P(c2ccccc2)c2ccccc2)cc1-c1c(OC)cccc1P(c1ccccc1)c1ccccc1 140124318 NZTIKWDNWJYJKD-UHFFFAOYSA-N 582.620 6.887 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150462688 FVVFWHBITAMEQO-GEUSUSCDSA-N 660.796 6.415 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 150489465 FGGJBSMUVLEUHB-XMMPIXPASA-N 676.767 8.735 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1 164015652 SKPINKFHXRSWCW-QLQYKETESA-N 694.795 7.007 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682098 LMCNYCSDWPLKPZ-UKEVNPHNSA-N 505.227 9.203 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205657501 GTPGSSHUSLFYEQ-XGRABPSDSA-N 524.617 6.491 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205780522 XIDNJIDPXKONPS-KEAQLFMESA-N 690.822 6.424 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214346074 MUKHLSCMPCVTIN-CEUNXORHSA-N 512.613 5.991 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(SCCC#N)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 215367986 WFXRMNGTFFJLSM-YPSOBTFPSA-N 729.972 6.924 50 10 KKGE Clc1ccc(I)c([C@@H](Br)Cc2ccc(Br)cc2)c1 236068880 KTBMIYMGXMHFAT-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE O=C(NN=Cc1cc(Cl)cc(C=NNC(=O)c2cccc(Br)c2)c1O)c1cccc(Br)c1 252623646 OWDCDDGPTWATNQ-UHFFFAOYSA-N 578.648 5.098 50 10 KKGE CCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530133 HNLMHAUNUCSDSQ-MIKHJJJFSA-N 549.678 9.503 50 10 KKGE biogenic O=C(NN=Cc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12 254378823 KROQSHALYUVBMU-XRSDMRJBSA-N 664.718 6.678 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)cc1 254384750 FOZSMQNUMSGCJD-QPXWXVNUSA-N 611.496 5.656 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(F)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254823177 LZXKXNHWQJCTCK-UHFFFAOYSA-N 517.630 5.622 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)CCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 261492836 IBPDFIQKZURJBG-OHJSKTMTSA-N 780.426 6.048 50 10 KKGE CCCOc1ccc([C@@H](Br)c2sccc2I)cc1Br 311404370 GUCZGUPUIBUFIT-CYBMUJFWSA-N 516.036 6.388 50 10 KKGE O=C(c1cc(I)ccc1Br)N1CCC(CCCBr)CC1 401082672 SOMRNGYFIUBNQF-UHFFFAOYSA-N 515.027 5.081 50 10 KKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H](Br)C[C@]34C)[C@@H]2C1 504477618 JYZNDQLCHFXCEM-QNDXQVRASA-N 561.601 7.083 50 10 KKGE biogenic Brc1cc([C@@H](Br)Cc2ccccc2Br)c(Br)s1 692423024 JXKWOYXMVSKELM-JTQLQIEISA-N 503.879 6.714 50 10 KKGE CN1/C(=C/c2cc(=[N+](C)CCCC(=O)NCCCl)n(-c3ccccc3)c3ccccc23)Sc2ccccc21 725404830 HTWURCIQNRJLNE-UHFFFAOYSA-O 544.144 5.708 50 10 KKGE Cc1ccccc1CN(C)C(=O)COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 826663347 TWGVMKNLUCGOFJ-UUYOSTAYSA-N 543.973 6.184 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1 1084024963 GQUWTNSNAFYSIU-UHFFFAOYSA-N 574.772 6.087 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1 1084051780 XONGSTMMJRZLLX-WOJGMQOQSA-N 593.248 7.121 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)o2)cc1 1084116867 KZOVLTWCZXPJBH-UHFFFAOYSA-N 519.022 6.833 50 10 KKGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 1084216146 JEHPPDDBOFUBIM-UHFFFAOYSA-N 577.706 6.327 50 10 KKGE C=CCc1cc(C=NNC(=O)COc2c(Br)cc(Br)c3cccnc23)cc(OCC)c1O 1084601346 UQABHZPIBPTRPK-UHFFFAOYSA-N 563.246 5.122 50 10 KKGE CC(C)(C)OC(=O)N[C@H](C(=O)NN=c1cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3)c1ccccc1 1565518361 LZYIOYNBXWTSNI-YTTGMZPUSA-N 593.724 7.326 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682511 QIDFACULBMWJHY-SANMLTNESA-N 504.977 6.573 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686025 QIGXYOIPVLFIRE-LJQANCHMSA-N 504.215 6.112 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc(Br)c1O 1865687807 AVUIEBFWFCQBOU-QFIPXVFZSA-N 560.408 5.028 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865693117 LEVJYXLUJJPJKG-HHHXNRCGSA-N 506.606 6.074 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865695835 HUOCUJJDYKVLBC-SANMLTNESA-N 525.024 6.218 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cc(Br)ccc1O 1865697045 VJKFRKVUWMYEHY-OAQYLSRUSA-N 564.237 5.988 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700837 FMUKNVUCZKISLH-SANMLTNESA-N 545.470 7.310 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700883 GWBHJOMNTFZILN-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714517 MHKJVHMPCGCOAO-QHCPKHFHSA-N 531.385 5.727 50 10 KKGE CSCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783602 VXZOTFJZBXZKQY-RPBOFIJWSA-N 525.646 5.937 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983569 SKXHSHJFYORENA-SHQCIBLASA-N 535.641 5.522 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(F)cc2)cc1OC 1867222671 XRJHNLHCRFVUGW-JTSJOTPCSA-N 569.658 6.434 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(c4ccccc4)[C@H](C)C3)n2)cc1 1868320393 IKZQNQQJKSUIEJ-ZRZAMGCNSA-N 506.679 6.872 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868342310 RDXBLADSVPWTHW-NDEPHWFRSA-N 509.654 7.382 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)c(OC)c1 1872793795 SZLVJVAUWUBUMD-XQNSMLJCSA-N 512.631 6.912 50 10 KKGE CN(C[C@H]1C[C@H](Br)C1)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887892300 FJKOPEPHGTYFNQ-RNXOBYDBSA-N 509.488 5.950 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)s1 1922893900 IFMOZVKUWVFKBG-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE Fc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924585819 QRLYKJWXIWBEPU-MRVPVSSYSA-N 521.869 6.853 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924596775 TWFGRMPSKVEKSO-SECBINFHSA-N 537.868 6.668 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 1924611757 FKRPLBOLZCZPDJ-BIIVOSGPSA-N 507.911 6.908 50 10 KKGE CC1(C)[C@@H]2CC[C@]1(C)C(=NNC(=O)CCCCC(=O)NN=C1[C@@H](Br)[C@@H]3CC[C@@]1(C)C3(C)C)[C@H]2Br 2059855148 JIIWCVQGWRYMIH-UBIDVBPTSA-N 600.440 5.930 50 10 KKGE Cc1cc2sc([C@H](Br)c3c(Br)sc(Br)c3Cl)cc2s1 2100321938 DZQOOZADZRCQSZ-VIFPVBQESA-N 521.546 7.995 50 10 KKGE CCc1nc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Br)s1 2138872902 VIHSCGTUTUUDCV-LLVKDONJSA-N 532.921 6.786 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCCO2)c1csc(Br)c1Br 2150344396 KAJJSEOVVBFGRH-GFCCVEGCSA-N 503.437 6.135 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2202903393 DLEXLGYVTKUNOL-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Cl)ccc1I 2203003208 UMMNMOQOOSGHKL-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE FC(F)([C@H]1CCOC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395159 MKOUVOJVJAFFBH-DYEAUMGKSA-N 562.268 6.688 50 10 KKGE CC1(C)C(C)(C)C1(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396551 YFJXFGVFHCEMPS-LBPRGKRZSA-N 552.370 8.089 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(I)c2)c(C)c1Cl 2224316394 CSFFODAPPQCHGS-AWEZNQCLSA-N 514.426 6.808 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2C)c(C)c1Br 2227363700 ZXMUQARIWYKOLY-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1sc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277889104 NHNDESUYIVLNRD-LBPRGKRZSA-N 531.933 7.331 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 2296705075 MZWQTRXCICQJJK-UHFFFAOYSA-N 606.686 6.462 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 2296705979 GFXPVGOKYMZPFW-XMMPIXPASA-N 559.069 7.556 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN=CC=Cc1ccccc1[N+](=O)[O-] 2297459075 RTKWNLBGSIGBGZ-UHFFFAOYSA-N 505.987 5.554 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 2297555720 AVUGSBPXNNKYMR-UHFFFAOYSA-N 554.532 7.870 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521299 DVIDLRUNTQFCCI-UHFFFAOYSA-N 605.226 7.004 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 2313521446 OUDMJFUVKRXJRW-UHFFFAOYSA-N 546.748 6.505 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N 2313566859 BZNRGWWLOSZELQ-UHFFFAOYSA-N 571.475 5.554 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 2314487156 CWQDVLWRIKQMLU-UHFFFAOYSA-N 577.043 6.117 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(C)=C(C#N)C2=O)cc1OC 2314617485 ZDCONLYBIDAXOH-UHFFFAOYSA-N 537.399 6.106 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccc(Cl)cc1 2314793233 OWPQCGVBYBFOOG-UHFFFAOYSA-N 589.044 5.321 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(I)c1 2316169605 DUUIKTBWUWNHCF-AWEZNQCLSA-N 500.037 6.552 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331242785 KRJQSLHSQOPGKQ-NPMXOYFQSA-N 503.580 5.331 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 2331295920 ULTNLZBQMJSYNN-UHFFFAOYSA-N 518.381 6.867 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404423 BXBOOGNLEWJVTE-QGZVFWFLSA-N 512.462 7.087 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2cccc(OC)c2OCc2cccc(C)c2)n1 2331461202 VYWYIBNJDFIENW-UHFFFAOYSA-N 524.686 8.076 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338784535 PDXJRMDHRUJSLC-FTYOSLGDSA-N 535.965 7.688 50 10 KKGE CCN(C[C@@](C)(CI)OCc1c(F)cc(OC)cc1Cl)C(=O)OC(C)(C)C 2364649039 YCVICOKPOVTUPE-LJQANCHMSA-N 515.791 5.455 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)c(F)c1 2365178567 KKDBZBFFPRPRJR-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 2807583 ICVGOSVZUNSXED-DHDCSXOGSA-N 518.334 5.215 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccccc2NC(C)=O)cc(Br)c1OCc1ccccc1Cl 2946077 JBPSOMLQWZQBAP-UVHMKAGCSA-N 530.806 5.412 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2ccccn2)c(OCc2c(F)cccc2Cl)c1 20608648 KWCAWPFAECHXRP-WKULSOCRSA-N 501.027 5.542 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 38649755 DWSDMQDUNVLMFK-SANMLTNESA-N 514.578 5.447 50 10 KKGE BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1 95866632 LEOCKULGXOQRTQ-UHFFFAOYSA-N 641.700 6.922 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229633 NCWNAQORDYPFCT-UHFFFAOYSA-N 524.198 5.028 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Cl)cc1 100328594 LYQAUECEPCKWTA-AMVVHIIESA-N 554.828 5.767 50 10 KKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034231 PTJOKGYEBLDXLX-NTEUORMPSA-N 570.251 8.310 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113135 ZJLSWQWXZHWIBD-INKHBPHZSA-N 571.475 6.059 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101339518 FUUPLWDUNQKCDI-QXUDOOCXSA-N 625.128 7.873 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385944 POEUJRCQUUBAES-YTTGMZPUSA-N 583.040 6.302 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387351 ANAZNQPYUFBQIV-JXNPFXPLSA-N 608.666 7.128 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388765 PSIJBELKRHDYST-JGCGQSQUSA-N 617.485 7.174 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389680 CUOPTFARHDZQPQ-RIPCNWKXSA-N 608.666 6.957 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389715 KEGWEKCNFNYBGA-MGBGTMOVSA-N 580.612 6.178 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101393374 SSJOJWDKSURQDP-LJAQVGFWSA-N 573.045 7.266 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 101512521 RIVCWCODZRCFQP-XIEYBQDHSA-N 555.656 5.842 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC(C)C 101727162 XHJYKQPFGNKTJQ-BRJLIKDPSA-N 534.501 6.001 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(Br)c1 101767013 IKEIQRFTIFSLOO-ZMOGYAJESA-N 528.241 5.101 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 102230964 VSHDFFGFCDBFDD-LICLKQGHSA-N 567.352 6.174 50 10 KKGE Cc1c(Br)c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Br)cc1 103846002 KTZKXVXFCXCIIQ-CPNJWEJPSA-N 566.297 6.366 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccc(I)cc1 125766098 OFHZKZVYEPKWQU-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)s1 128222412 BFYKYCHTSBUVSH-NSHDSACASA-N 503.879 6.828 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485733 JCHLMETWDFXKDL-JGCGQSQUSA-N 651.930 7.745 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 196824661 YUZLCBDCWPRCMA-HPLNQGHOSA-N 620.771 6.056 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 214377411 TZGKAOGEUKNWDD-DXJNIWACSA-N 554.650 6.513 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214409688 PIKWKHDGTODQHV-LOZMPULHSA-N 649.748 5.891 50 10 KKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)sc2c1 217211818 UKJUHVGVLXEBMM-QOCHGBHMSA-N 502.599 7.522 50 10 KKGE CCCCCc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(CCCCCBr)cc(P(c3ccccc3)c3ccccc3)c1O2 217706088 VLYPXIPQBRMREQ-UHFFFAOYSA-N 797.798 11.475 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1Br 234975870 AWTOHLGBIWADFT-CQSZACIVSA-N 560.849 6.309 50 10 KKGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 252640056 YQDQKLZJQQTFEU-SCEMAZRHSA-N 612.702 6.527 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)[C@@H]2COc3ccccc3O2)c1 254340427 KVTMKBMDPQCZPB-NRFANRHFSA-N 574.225 5.029 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=NNC(=O)c2c(O)ccc3ccccc23)cc1OC 254441588 VUBTWFODNMVNIG-UHFFFAOYSA-N 541.007 5.892 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br 254515642 HXTZJWADQYMSGX-UHFFFAOYSA-N 679.974 7.029 50 10 KKGE COc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 254713123 BABZZZNVPNWOTJ-UHFFFAOYSA-N 562.626 5.908 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Cl)cc1Cl 256028287 CWGBOEMWVFTZJX-UHFFFAOYSA-N 573.527 6.732 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 256631136 ZTAIYJPKYUNPKQ-FCOYSSBWSA-N 773.125 7.141 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)cc(Br)c2)[C@@H](CI)C1 382729532 SZSMNBFDTKRBGB-SMDDNHRTSA-N 545.053 5.597 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 504497451 CNBLTHBPVHYRAS-NRAKVOEUSA-N 514.911 9.597 50 10 KKGE Cl[C@@H](COc1ccc(Cc2ccc(OC[C@@H](Cl)COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 504641183 VAZHIYOLCWXWAG-RQRRAWMESA-N 869.929 13.267 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C[C@H](Cl)[C@@]43C)[C@H]1CC[C@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 504672147 MKZGQDFQXQLWNU-RRIOVMJQSA-N 564.998 7.017 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 616581744 BTWRLONRLCBMRK-CMDBMJFNSA-N 523.036 6.533 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616592084 CYTSOTQZIALFJL-LJAQVGFWSA-N 525.926 8.767 50 10 KKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721574491 YWTUXOGPENKLIT-PWSUYJOCSA-N 515.027 5.222 50 10 KKGE CC(=NNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725408050 XDMQAKKACVTOMM-ZODNTCIQSA-N 590.749 6.557 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)cc1 725423717 QABUYHUNNXVCRM-UHFFFAOYSA-N 625.194 7.524 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 725433178 SOAOLBWPUAAOER-UHFFFAOYSA-N 594.089 5.739 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 1083910301 UWHCGYMGEFRVBR-DEOSSOPVSA-N 684.312 5.837 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 1083941993 FPFGDDMCCAVQKM-UHFFFAOYSA-N 630.859 7.271 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084048584 ZUNPJVAKFYHONL-SANMLTNESA-N 541.475 6.664 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084086357 BWELFABBXXIWRK-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 1084120599 KMTQMQOBSHZOHM-UHFFFAOYSA-N 532.474 6.433 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Br)c1 1084169816 WUTMGIWTYVAEID-UHFFFAOYSA-N 520.456 5.057 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084419101 NONOVALVRIDYCD-UHFFFAOYSA-N 523.467 6.722 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1 1084465029 ROHJKVATEWICGK-UHFFFAOYSA-N 569.058 5.241 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084499392 FUCPFRBKZNRMCN-MHWRWJLKSA-N 583.640 7.376 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 1084499844 AVODFVBWMOBEJX-AREMUKBSSA-N 507.030 6.010 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084502741 PLUXVFNVPGPKOT-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 1084503277 KVAZEBANKWULDM-UHFFFAOYSA-N 583.541 5.785 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084517812 KNSFWYLSPNEHFK-HHHXNRCGSA-N 596.478 6.027 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084553872 FAQPYUFDJGCEGP-UHFFFAOYSA-N 624.229 5.704 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1 1084632833 QYJJNAGMFGCTOJ-UHFFFAOYSA-N 547.630 7.333 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](F)[C@H](n2ccc(=N)nc2O)O[C@]1(CCl)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1615773751 KECWVZJKGKVMCV-XVUPITKPSA-N 646.352 5.880 50 10 KKGE COc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CCC(C)C 1772719947 ZJIHQNXEFYOJCU-UHFFFAOYSA-N 571.475 6.200 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745615 CYXDCRFIJRTHIS-UHFFFAOYSA-N 513.981 6.756 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@@H]5C)c(C)c43)coc2c1C 1772751377 AETGYJYCAWQUGQ-SFHVURJKSA-N 541.623 6.471 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@H]2/C(=C\[C@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848433197 ZARWZJUOPFZIOB-YQOQJSGHSA-N 637.088 8.632 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@]12C 1848665549 YAHXNVGUCZQYAB-DNKNIDSMSA-N 535.651 9.113 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@H](CO[P@@](=O)(Cl)N(C)C)O3)c2n1 1857788691 JEXKEVAZWLLEBW-FRJHWTOWSA-N 704.168 6.243 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865681978 CIWQUDLFEVXNDC-AREMUKBSSA-N 504.977 6.573 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3cccc(F)c3)cc2)cc1 1865693682 PWOGREJJRYFOFU-XMMPIXPASA-N 534.513 6.195 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694144 QKZDZIYVXCGGQL-RUZDIDTESA-N 531.443 6.912 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865696546 HFDVVSADDVIAES-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865697434 SINYRRVDBVIMCG-NRFANRHFSA-N 543.849 5.535 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700959 IGAZZQJIGQATJQ-SANMLTNESA-N 547.442 6.547 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702717 CINCQFNNKUIPOT-QHCPKHFHSA-N 571.386 7.304 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865702849 GMHALBLFGSGQQV-LJQANCHMSA-N 523.342 6.264 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704018 KYRDJGYYZSAMRR-AREMUKBSSA-N 565.888 7.251 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)c1OCc1cccc(C)c1 1865705177 ODGJDUZFHGNFIS-MHZLTWQESA-N 510.569 5.493 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866986292 ZVHNIBPWKDLACZ-JWQCQUIFSA-N 542.488 6.378 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)n2)cc1 1868320178 DYXYETAOKVXCEY-HHHXNRCGSA-N 539.108 6.842 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1868387905 BZWBNYLFLOHKHE-IRLDBZIGSA-N 505.644 5.465 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868388153 FWZARACBIHDNRP-FQEVSTJZSA-N 507.685 5.436 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@H]2C(C)C)n1 1868388360 JMLVXCWHLKPQNI-MUUNZHRXSA-N 503.672 6.523 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872781113 VEMWRHNWTXLGQQ-RQZCQDPDSA-N 518.274 7.447 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872791447 JNQIPJWNYCWKQN-JJIBRWJFSA-N 525.674 7.063 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 1873499475 XDZXWMOVAMGIHW-BFWPAWLWSA-N 506.430 5.670 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873794804 BLWIXLUBDJIFAC-PXGAOIJESA-N 508.446 5.962 50 10 KKGE CC(C)(C)C1CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923072399 OVIUQUVZOFSHKX-AMUVOQDHSA-N 507.557 8.215 50 10 KKGE Brc1cc(NCC2CC(Br)C2)cc(Br)c1I 1991472755 JBVWAVNKWHLVFE-UHFFFAOYSA-N 523.832 5.402 50 10 KKGE Cc1cc(Br)c(CBr)c(-n2c(C)nc(I)c2I)c1 2053202720 LVOFEHURIJRFKO-UHFFFAOYSA-N 595.842 5.356 50 10 KKGE CC(C)(C)[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 2111372965 CQTSIWZKKQURRL-PHDIDXHHSA-N 547.923 7.789 50 10 KKGE CC(C)(C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2141469155 SAIZXAVHOLBSHY-JTQLQIEISA-N 582.794 7.999 50 10 KKGE FC(F)(CC1CC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473676 RZBNDVGTDBCIEL-LLVKDONJSA-N 590.720 7.608 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2166119411 LNFSNZAXUKURHB-UXCLJVHYSA-N 549.992 8.078 50 10 KKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2185101212 WUDRUSYHSWKKTK-QWHCGFSZSA-N 515.027 5.078 50 10 KKGE COc1cc(C)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 2198733619 YECUQFLHFFGEBR-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2c(Cl)cccc2Br)cc1Br 2202344777 MBTCEVFNOWYHCR-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Fc1cc(Br)cc(Oc2ccc(Cl)c(Cl)c2Br)c1CBr 2206355451 ZBGKUOWIONGVPU-UHFFFAOYSA-N 507.806 7.345 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCC2(CC2)C1 2206394592 ICSKUMUMZVVSDJ-RMLUDKJBSA-N 550.354 7.987 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1C1CCCC1 2206398204 RZEMHACWSNKFCO-XWRVAKJBSA-N 550.354 7.843 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2c(F)cc(Br)cc2F)C1 2271580944 PQAVMQUIVBZIJI-SFHVURJKSA-N 546.190 5.449 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12 2294171976 OURMINFUNSPSKA-UHFFFAOYSA-N 526.843 6.594 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCCCC1 2297455644 ILMMDTMBENHANT-UHFFFAOYSA-N 523.036 6.691 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(Br)CCC2)c1Br 2300173150 ANPQUNLKDOTJMH-JTQLQIEISA-N 514.252 6.758 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313565311 LLKGYVBJSASRFJ-UHFFFAOYSA-N 520.402 5.423 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566781 ABDNPNPIQMJYNF-UHFFFAOYSA-N 615.753 6.700 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Br)cc1 2313571059 MGZQZQZLFBZRLS-UHFFFAOYSA-N 572.286 7.618 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314503963 XXZAFGVICLPKKI-FQEVSTJZSA-N 576.041 7.256 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314610589 JQGVULJBYJXFJV-FQEVSTJZSA-N 506.606 5.419 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1OC 2314616601 FNJLBBHEHFMNDC-UHFFFAOYSA-N 619.634 5.308 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(F)c3)C(C)=C(C#N)C2=O)cc1 2314620410 PKQITWCXOMPIFZ-UHFFFAOYSA-N 562.601 5.531 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OC 2314738461 QHBVISLIAYNWMF-UHFFFAOYSA-N 520.626 5.713 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 2314772714 PIFYUVIEIVRVAV-UHFFFAOYSA-N 567.436 5.690 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1OC 2314793112 MITXJEGRVHIBBY-UHFFFAOYSA-N 560.716 7.722 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cocc1Br 2317422964 GWNJJZUIFDZOOJ-JTQLQIEISA-N 505.801 6.499 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)s1 2317772637 FHCUXVJUSRIHIK-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331456379 HIDCITHMLARIKJ-UHFFFAOYSA-N 505.437 7.587 50 10 KKGE C[C@@H]1CCC[C@@](CI)(OCc2ccc(I)c(Br)c2)C1 2350055732 NVRCLLYENVKUJQ-IAQYHMDHSA-N 549.028 5.954 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)ccc2I)c1Br 2362220237 HKBXVMOUAQTPNV-LLVKDONJSA-N 662.154 7.856 50 10 KKGE Fc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362224544 LYUHZQVXTBSMGX-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE Clc1ccc([C@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362241035 SUGZUKYGUWFOOZ-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE CC(C)[C@H](Br)C(C)(C)CNC(=O)c1ccc(I)c(Br)c1 2365994680 QGJLHRDLFOKTSS-ZDUSSCGKSA-N 517.043 5.229 50 10 KKGE COCc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2367825755 RTLDGMFTBCKEOG-CYBMUJFWSA-N 568.350 7.273 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc2c1CCCC2 6167451 FVSZNKFCESCGFW-HVMFUDPSSA-N 563.676 5.372 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N1CCOCC1 33341928 PJQVXBGZHZHZHN-MOHJPFBDSA-N 508.553 5.023 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c(O)c1 33517348 WCCBHMPFRVWDOM-WYMPLXKRSA-N 522.121 5.278 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38650605 ORYHRSZUQRQARU-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38682693 SOCFVFIZMJOVAU-VWLOTQADSA-N 519.395 6.065 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)c1 38701285 YPTNZSIMZVLBEF-NRVWMRPUSA-N 502.655 6.986 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826872 VKTAXCQBXDUFNT-RUMWWMSVSA-N 513.594 5.920 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OCC)cc3)C2=O)cc1 101245696 ACJHUOBNTQXHKI-BIFPNOLRSA-N 539.701 6.801 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101333876 UDCOLQCGQJCCLJ-OGLMXYFKSA-N 563.057 6.772 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101337705 XXVSWRQVXDWWOQ-CPOSWLHTSA-N 590.683 7.472 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 101339826 SYVCWSITUQBRFO-DHRITJCHSA-N 536.584 5.494 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 101368113 RQNGCVKGCOFYAB-HKBQPEDESA-N 542.632 6.084 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101368141 NAQKOUKPIXBOKL-YTTGMZPUSA-N 556.659 6.590 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384039 UEEZRSQRDPIAJC-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384948 RBGNVTGLBOYYSY-WJOKGBTCSA-N 621.904 7.737 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385185 UBHYJOUCFSWMOC-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399183 CWOIPEPGAMYYBR-MGBGTMOVSA-N 621.089 8.036 50 10 KKGE COc1ccc2sc(C(=O)Oc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3OC)c(Cl)c2c1 101823518 CGSPMBCTGKABSY-MHWRWJLKSA-N 522.966 5.607 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1OC 101827229 MITXJEGRVHIBBY-JJIBRWJFSA-N 560.716 7.722 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665945 JPLMSLWARUIZFR-FNBPXTNNSA-N 538.854 6.167 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c1 102853100 ARHFMSBZXQIHQG-HMAPJEAMSA-N 550.434 5.513 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1 103880216 OHQVGAPVZDYVRP-NNLKUIAGSA-N 622.538 8.426 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105067022 YRWHASDMYIBSEN-AABVJFSESA-N 609.918 8.424 50 10 KKGE CCOCc1cc(CBr)ccc1-c1ccccc1S(=O)(=O)N(COCCOC)c1noc(C)c1C 144143292 OEHFJFJDEAZXBG-UHFFFAOYSA-N 567.502 5.206 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433453 NHADTXNNPGRNHI-SSEXGKCCSA-N 666.355 8.171 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1 163795412 WFGDBCHJFNHCSV-ZSNJKBEMSA-N 751.406 8.313 50 10 KKGE CC1(C)Oc2ccccc2C(=O)N1C[Si](C)(C)O[Si](C)(C)CN1C(=O)c2ccccc2OC1(C)C 195811996 OAJNGRCYPLQNSY-UHFFFAOYSA-N 512.755 5.033 50 10 KKGE COc1ccc(/C=C(C#N)\C(O)=N/c2nc(-c3ccccc3)cs2)cc1COc1cccc2cccnc12 206779012 DJXHYZPWUVIWHG-HAHDFKILSA-N 518.598 7.141 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214278363 DEJOOJQLSUWBKF-YSMPRRRNSA-N 502.549 5.779 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 214391833 YSLRGZUWJKQVMH-YUMHPJSZSA-N 545.555 5.249 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 214408893 BGCIMFGIUOYTGV-YSMPRRRNSA-N 533.519 5.379 50 10 KKGE CCCCCCCCCCCCCCCCCCN1C=CC([C@@H](Br)[C@H](Br)c2ccccc2)=CC1 221700809 UPJSCLAKBCNHJT-FIRIVFDPSA-N 595.548 10.903 50 10 KKGE Clc1cc([C@H](Br)c2csc3c(Br)cccc23)ccc1I 232344835 MIJNUDJUIMHGOZ-AWEZNQCLSA-N 542.461 7.406 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3cc(I)ccc3Br)ccc2N1 232453095 VZNJLRHBENGXOT-OAHLLOKOSA-N 506.963 5.033 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 252638695 YEKXQPXUTZPREG-UHFFFAOYSA-N 629.094 6.976 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 253537510 JBHLEOSHZKKTQZ-SPIQSQDFSA-N 693.521 6.391 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254516063 RNLDPHTZAJVDRT-FCKUMPQMSA-N 546.671 6.033 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)nnc2-c2ccc(C)cc2)cc1 254568072 WSCLSPJALBMFGB-UHFFFAOYSA-N 593.709 6.081 50 10 KKGE CCOC(C)(C)ON=C1[C@H](C)C[C@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@@H](O)[C@@H]1C 256001174 SFTHBPKNOPSKEE-JLIVCGNOSA-N 993.479 7.734 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024925 KCNRWKPWPLPNNJ-JUXKZMPVSA-N 686.698 11.661 50 10 KKGE CCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 300475099 TWCCRQNOPYUIEO-XXILOJSOSA-N 662.869 5.210 50 10 KKGE CC(C)(C)OC(=O)N[C@@]1(C(=O)OCCl)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 616579417 ZARJPYZCRFYKMD-MHZLTWQESA-N 515.006 5.034 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccccc4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725407691 PHXXKXKCBZLHTH-ZODNTCIQSA-N 634.758 6.035 50 10 KKGE Cc1c(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c2ccccc2n1C 1083868799 IWPSDFOCUYVBIB-UHFFFAOYSA-N 508.625 7.375 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1083952286 NFSZIXDAGJWPQW-UHFFFAOYSA-N 549.096 5.131 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)cc1C 1083984042 QCAGGADGDPBANI-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084189925 DXYHNYWIFVGFES-RUZDIDTESA-N 602.469 5.632 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084228178 XFEAUSVWLHNRRI-MHWRWJLKSA-N 520.185 7.020 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084251008 HVGPSKQVJHYKPG-QHCPKHFHSA-N 580.306 6.698 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 1084303348 XZHVUIKXHVOVLJ-UHFFFAOYSA-N 641.541 7.717 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCCC1 1084373240 IZCFXQYCDYSKMJ-UHFFFAOYSA-N 740.736 6.424 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084490278 MZNVBGVZXMMGGM-UHFFFAOYSA-N 674.923 6.349 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 1084494326 IDAHIERVFSFKCV-MUUNZHRXSA-N 734.372 6.991 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 1084597792 MGVZDEDSLKNFQJ-HYARGMPZSA-N 505.387 6.750 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1 1084656361 CTBSWMFDDUHWEK-UHFFFAOYSA-N 533.603 6.943 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536939 DFUXHMHWOWANRY-JSPVHZSOSA-N 567.836 10.525 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3cc([N+](=O)[O-])ccc3nc12 1772721827 SWBXQXOTBMQFKB-RIQUBCAISA-N 555.473 5.988 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749201 IUARMVOHMZJZBH-UHFFFAOYSA-N 554.352 6.402 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865690113 IXTYEYLVIIRVLW-SANMLTNESA-N 511.025 6.649 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865691584 VYMMCMSTIAQWNI-GOSISDBHSA-N 517.305 5.437 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865691922 DYPYIUKBGXCCKL-HSZRJFAPSA-N 537.458 5.911 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865692152 JLFYBNFRZRINRC-QFIPXVFZSA-N 557.876 5.925 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccc(C)cc3)cc2)cc1 1865692937 JZPQODWPLVVRQN-HKBQPEDESA-N 538.651 7.012 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865693468 WCBSUAFXAMHUFW-JOCHJYFZSA-N 575.866 6.064 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865694391 XKYKUECYGNOYOH-XMMPIXPASA-N 512.997 6.208 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695685 RJXWHZLVMLWUMC-RUZDIDTESA-N 563.441 6.480 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865695997 WEFOKUAAEWOMCX-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCCCc1ccccc1 1865697380 QWPOLCDINIAHEB-PMERELPUSA-N 520.633 5.787 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 1865703829 GNSFVNGQNHSYLG-VWLOTQADSA-N 564.995 7.018 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 1865705256 PPMWXYQUAFTHRC-PMERELPUSA-N 552.634 6.653 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713041 PMMLHXIXLJBNJA-MHZLTWQESA-N 500.558 5.928 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714516 MHKJVHMPCGCOAO-HSZRJFAPSA-N 531.385 5.727 50 10 KKGE COc1ccc([C@@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139557 QISNHHLWGKXFIX-QFIPXVFZSA-N 508.043 5.977 50 10 KKGE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544393 DCYVJWXBEOONRC-MUUNZHRXSA-N 523.710 7.241 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)nc2c1 1872728785 TXVUWUSKQMRADN-GIJQJNRQSA-N 536.371 6.081 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872751956 IVVNPULJEMOJJL-RJHYDAJSSA-N 503.849 7.610 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccccc1C 1872790425 HUDRYOGVYDMBNR-WSDLNYQXSA-N 521.469 8.467 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 1898077827 FHPBRIPLUCUKBL-SGTYWVLOSA-N 542.685 5.553 50 10 KKGE O=C(c1cc(Br)ccc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915314193 QKOGJCGFSKOFLR-SFHVURJKSA-N 563.071 5.870 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(I)c(Br)c2)c1Br 1922912439 NEXBNMGISFLTIP-JTQLQIEISA-N 629.775 7.433 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccoc2)c1Br 2025782847 KRNJYUKHSUZLBA-SECBINFHSA-N 552.680 6.814 50 10 KKGE CC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784251 SQHMUJMMQDLTEQ-DGAHNEANSA-N 554.740 7.219 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2Br)ccc1I 2026130291 DYLGLGBWTSXSOM-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2029233505 TZMOYQYUAVVSFM-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE N#CC(=Cc1ccccc1Oc1ccc(Cl)cc1Cl)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 2040744322 JEJHKOOWVBOCRT-UHFFFAOYSA-N 546.435 7.145 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1Cl 2048155220 IXBKDBIMIUKFIV-BYPYZUCNSA-N 518.283 6.404 50 10 KKGE Brc1scc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 2093942754 ZXHKCBKGMLPKQV-SNVBAGLBSA-N 578.889 6.297 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141469810 XBKSWKXOYJXRLY-NSHDSACASA-N 617.220 8.197 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2141475597 PJVOUFMAVMIZIZ-SMOQUIODSA-N 582.750 6.742 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23CCCC2CCC3)c1Br 2206400088 PFAJATLHFCFXIS-MLRNSFOPSA-N 594.805 8.143 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1c(Br)c(Br)cc(Br)c1Br 2206407805 FKWZCPBUKCJYLY-CYBMUJFWSA-N 723.060 8.432 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1Cl 2225620201 RRASIOAYASYNEX-QMMMGPOBSA-N 540.250 5.984 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2233024399 WQKSSEZNCJVQNL-ZDUSSCGKSA-N 550.481 6.789 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272851866 BLHOKVJKISFIQU-SECBINFHSA-N 523.795 5.470 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2293202119 FRXBKQVBMGNBQY-UHFFFAOYSA-N 514.478 7.545 50 10 KKGE COc1cc(C=C2CCCC3=C2OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 2296653990 DJQXVTIJYFNVGK-RUZDIDTESA-N 520.582 5.067 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2[nH]1 2297468104 BCNNSHBZGPKISF-UHFFFAOYSA-N 548.672 6.044 50 10 KKGE Cc1ccccc1OCCn1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21 2297551982 ZXUMHVCHECIYEZ-UHFFFAOYSA-N 505.603 6.197 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297620060 GJWFFYVLNIVRHJ-UHFFFAOYSA-N 583.280 5.698 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313561166 XPYFDIZNNMOUCM-UHFFFAOYSA-N 560.275 7.506 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314610549 JGVUJFNXOHUOFT-UHFFFAOYSA-N 501.384 5.302 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2ccc(Br)cc2Br)n1C 2315599813 XINJEHBOVDCRGL-SNVBAGLBSA-N 501.842 5.500 50 10 KKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 2331231734 VYRCRYFOGVWVIY-UHFFFAOYSA-N 505.599 6.679 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402392 WLYVZOZDCSYGLW-UHFFFAOYSA-N 500.945 5.302 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OC(=O)c1ccccc1 2331490133 VHVDWASYANFLST-UHFFFAOYSA-N 518.594 7.264 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337286471 ZKAMCQVLLGYHKJ-QMMMGPOBSA-N 540.250 5.984 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(Br)o2)c1Br 2339653043 FJGNVEQPCPPXFK-NSHDSACASA-N 517.837 6.368 50 10 KKGE Clc1ccc(COc2cc(Br)ccc2CBr)c(I)c1 2340109966 KNDTVASEBDHELQ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE N#CC(=C(SCc1cccc([N+](=O)[O-])c1)SCc1cccc([N+](=O)[O-])c1)/C(O)=N/c1ccccc1 3059116 PLDMKOQORNOEIL-UHFFFAOYSA-N 506.565 6.693 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 4779937 WHPXTOFKZICNAG-UZWMFBFFSA-N 561.554 6.825 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608357 TVAQZCYUTCDSGP-LFVJCYFKSA-N 532.637 5.362 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679540 MRRSMYJGZCQUDP-QFIPXVFZSA-N 501.753 5.849 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684684 ITNNRDDGZXBRFW-VKGTZQKMSA-N 516.569 5.842 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 38685545 VJZWQOHINIBZNY-MUUNZHRXSA-N 502.998 6.275 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Cl)ccc43)c2)cc1 38686631 NANHSCCVWJFRSR-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)sc(C)c1C 58894397 OJZUQRKEXNSAPW-KVUWKNAUSA-N 525.671 5.312 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1 59447271 LGPBNYRLGHCRDH-NDZAJKAJSA-N 515.407 5.414 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 100233913 NGGMITABZXNUFO-PWDRKSFLSA-N 559.448 5.370 50 10 KKGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100236907 IPSDUOGRDCGRPC-ZFWWWQNUSA-N 542.268 5.027 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101332530 COOBOILKUWWTIG-WPWMEQJKSA-N 549.030 6.384 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337615 BTQDLPCCSNMADZ-KMYQCLGJSA-N 584.720 7.852 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 101368497 NFTXQLQLTHPPOH-GDLZYMKVSA-N 549.023 5.976 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379453 QFOKPJSMYWUITO-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101381030 NPJGOZPECYSSQJ-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381191 JVACQPFEDGLZCX-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381474 BMFACYLXUFDTTL-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C(c5ccccc5)c5ccccc5)ccc43)c2)cc1 101382527 GDCHLXUEPOCHJB-PSXMRANNSA-N 578.668 7.530 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383645 VNMZIBTUWPBAHK-HKBQPEDESA-N 536.559 5.916 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386407 MTHNZIAOWLDNAR-AUSOSSAASA-N 611.094 7.081 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386915 DBIJVWCWRKZKHK-XIFFEERXSA-N 594.639 7.030 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)oc2cc(Br)ccc12 101390099 CBEGRBBFCLCVLK-SANMLTNESA-N 543.417 7.065 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 101395300 DJOVESOCYYOFEJ-HHHXNRCGSA-N 534.996 5.973 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCc1ccccc1 101727574 RAIBLMHJGUGGEM-OCSSWDANSA-N 552.121 6.726 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(SC(F)F)cc3)o2)sc2c1CCCC2 102972400 UDDPPHTTWFZJJQ-SDXDJHTJSA-N 556.656 7.704 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C(C)C)cc4)c3c(=O)[nH]2)cc(Br)c1O 103707646 OLHMFSVDQRCNRI-YPXUMCKCSA-N 587.521 5.494 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)cc2)cc1 103733205 HGMLVEGRUCXYAG-ORBVJSQLSA-N 612.771 7.272 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1 103877629 JOKWQYXHSTVLGR-CCVNUDIWSA-N 572.253 6.699 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2ccccc2c1 103888341 RXDNIPFWQBZWLY-MYYYXRDXSA-N 588.445 7.276 50 10 KKGE CCOc1ccc(N/C(SCc2ccccc2C)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422900 QYBVNVWBJQSEFD-COOPMVRXSA-N 501.608 5.519 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 128882107 BVUARBKCVFJORS-LBPRGKRZSA-N 533.905 6.919 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 162430176 BRBNFSRSEHLSPK-VNEWVZTQSA-N 672.549 5.492 50 10 KKGE BrCC(CBr)(Cc1cncc(Br)c1)c1cccc(Br)c1 169005183 RUSRGYQNYSGUFZ-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2OC)cc1 198746063 XPWACROVHMTREC-FABQOPTDSA-N 593.463 6.963 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 205671096 YSBGRDYMTGGXHQ-AVYZXYBESA-N 618.705 7.938 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OCC)c1 206499543 DIKOBVLXAKTJNV-NRPCBOSOSA-N 541.600 6.070 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 214358154 XBSZKAZOCKCCEK-CEUNXORHSA-N 534.660 6.562 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 214359828 PABNSPPBGAGZTP-USHMODERSA-N 520.633 6.253 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 214365641 AUQMADLZGLLGRX-BRPDVVIDSA-N 534.660 6.643 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 252622220 NQXFIHVCSQSZKM-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2OC)cc1 254297151 NIUHAVHWYJICBF-UHFFFAOYSA-N 566.654 6.745 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c(O)c1 254307642 MNJQAMQGLLEKMI-UHFFFAOYSA-N 570.763 6.334 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1OC 254405156 XPKYGLQSTMKGAB-UHFFFAOYSA-N 578.698 6.020 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)s3)nc3sc4c(c3c2=O)CCCC4)cc1 254515685 KVBXSYSSVMXQFD-UHFFFAOYSA-N 508.694 5.247 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254745349 NVDLQQFRPAMJQP-UHFFFAOYSA-N 542.709 5.549 50 10 KKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)C(Cl)Cl)CC[C@@]34C)[C@@H]12 254770479 FFSDQBPIYFOSQY-GMXZILBVSA-N 539.672 9.459 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Cl)cc1 256028564 VKRNAGKJEXVCAO-UHFFFAOYSA-N 539.082 6.079 50 10 KKGE BrCCCCCCCCCn1cnc(I)c1I 304446185 USWYYSLLZNYCQH-UHFFFAOYSA-N 525.010 5.218 50 10 KKGE IC[C@@H](I)Sc1cccc2cc(I)c(I)nc12 575631161 UATVUZUWUAXZSP-VIFPVBQESA-N 692.867 5.732 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cc(Br)c(Br)s3)c1)OCCC2 711149015 IMDKQIBIJYTHDB-GFCCVEGCSA-N 545.916 6.845 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)sc3Br)c2O1 720054273 UNWTYBXXWFXWAK-QTTZVWFDSA-N 545.916 6.843 50 10 KKGE Fc1cccc(Cl)c1C[C@H](Br)c1ccc(I)c(Br)c1 721573756 RZMWSDWTUQBZLL-JTQLQIEISA-N 518.389 6.525 50 10 KKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 1083962645 VHKRXRINTZPUDZ-UHFFFAOYSA-N 579.660 7.891 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1083964232 LSBLZUQDYBIGQQ-UHFFFAOYSA-N 577.062 6.106 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1083987332 ZGXZAKJYAUMRMW-VJMDADNCSA-N 514.629 5.269 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1083989755 JXSBHVOJRFZQOF-UHFFFAOYSA-N 667.935 6.874 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084061205 HIAUHCLBBDBOBW-HKBQPEDESA-N 534.059 7.429 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl 1084087023 JKLSUGPVNNJPNH-XDHOZWIPSA-N 576.705 8.262 50 10 KKGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 1084119655 ORRMJBDVNQSDTD-UHFFFAOYSA-N 528.790 5.434 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084167046 XKXDMWIABXXDML-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 1084494288 RTFHUHZRQYBXLD-XMMPIXPASA-N 545.421 5.061 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1 1084533651 MCEAALBNXNMPRN-UHFFFAOYSA-N 619.585 6.887 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1 1084541721 CRVOMLDHRFTPDY-UHFFFAOYSA-N 544.076 6.722 50 10 KKGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084578906 KLCXMMQKWNPSMG-UHFFFAOYSA-N 581.696 6.907 50 10 KKGE O=C(Cc1ccc(Cl)cc1)NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1 1084610108 JUBFCPOOBAHFKP-UHFFFAOYSA-N 502.752 5.283 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 1772720738 UGUFHHBEXLOCKT-UHFFFAOYSA-N 555.476 6.644 50 10 KKGE CC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848435238 NMNGXZIYPJHWNQ-VIKNMRQBSA-N 793.786 6.704 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687604 VSKJLTUESMCZRI-AREMUKBSSA-N 547.442 6.547 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)c1 1865690219 LROHCLKINFLKCN-NDEPHWFRSA-N 514.585 6.318 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 1865694154 UZWNIQJHYAZMMK-DEOSSOPVSA-N 532.522 6.005 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1865694812 CGCOOPVOCAIECW-MUUNZHRXSA-N 508.578 5.304 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)c1O 1865697034 VAPFGIVOBWLWHE-INIZCTEOSA-N 555.738 5.298 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865697447 SRAQOABPLXDAPP-QGZVFWFLSA-N 569.765 5.932 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 1865703030 LGADXZACSMYRDM-MUUNZHRXSA-N 579.459 6.882 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705031 KJEKOIYOKNFZIN-SANMLTNESA-N 561.469 6.919 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865705051 KXIFMNLNENYOLJ-SFHVURJKSA-N 519.321 5.659 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706851 HDBZSQCIYWMJRB-QHCPKHFHSA-N 532.959 5.332 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707186 QECUJLWQGCWAPL-HSZRJFAPSA-N 532.959 5.332 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866591295 VJPVVOBMKLBIQZ-AREMUKBSSA-N 574.753 5.895 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866727134 CKMNDFGGTHQANV-UIOOFZCWSA-N 545.636 5.420 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866935518 VKGHIBJWONVUSM-WJOKGBTCSA-N 588.689 6.185 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867123059 RFBWGAQWRGVVAW-LITSAYRRSA-N 541.623 6.426 50 10 KKGE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867193975 JSFDRQCMTGSNGA-QHCPKHFHSA-N 524.650 5.774 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NCc3ccccc3)nc(Cc3ccccc3)n2)cc1 1868208160 UGPFADPDAKXFNI-SANMLTNESA-N 520.662 5.669 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4c([nH]c5ccccc45)[C@H]3C3CCCCC3)n2)cc1 1868320307 HBMPPPDXKUCBDA-UUWRZZSWSA-N 570.766 8.934 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CC2)cc1C 1868320394 IMFLMMJVWWJNJG-UHFFFAOYSA-N 549.700 7.185 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccccc3)n2)cc1 1868365781 XGQFPNKIMHQZBO-AREMUKBSSA-N 508.626 6.019 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccccc3Cl)n2)cc1 1868414968 RRSUEPNJMQHLRI-DEOSSOPVSA-N 528.085 7.057 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744668 CJLKPILWXOWZHI-QQQNJIPZSA-N 520.825 6.625 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 1872758505 DEJVTZSSTWDSKK-SNCOZNQQSA-N 509.587 6.085 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(C(C)(C)C)cc1 1873794788 AWAYTXPGNOQUQH-JSKHIKRRSA-N 509.647 5.421 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2cc(Br)c(OC)c(OC)c2)n1 1873920282 BYCXRKOBVOZYGE-WWEZVLTNSA-N 513.413 6.413 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915737287 CMHXUOAKPPIGKE-UHFFFAOYSA-N 504.060 6.028 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923067152 ZAQRHGNPYREQHZ-VIFPVBQESA-N 538.324 7.482 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(I)ccc1Br 1924041277 UJRVMTXUTMCODH-RTHLEPHNSA-N 559.865 6.451 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924583297 IIDGFXHJOXNIIV-QMMMGPOBSA-N 524.297 7.173 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 1924600387 CTTHPVXASABHOM-HNNXBMFYSA-N 595.976 8.099 50 10 KKGE CC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780457 SQHMUJMMQDLTEQ-GOZTUDAPSA-N 554.740 7.219 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)NN=CC3=C(N4CCOCC4)C(=Cc4ccccc4)CC3)cc2)C1 2053622463 ZMEDGJVNBBHMPJ-ZBWWXOROSA-N 602.801 5.455 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 2053623146 IDBDGXXKRDLWDB-UHFFFAOYSA-N 555.328 5.333 50 10 KKGE CC[C@H](C(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494264 KSQOWTNAGCAVLR-FUXBKTLASA-N 526.332 7.699 50 10 KKGE Cl[C@H](c1cccc(OCc2ccccc2)c1)c1c(Br)c(Br)cc(Br)c1Br 2141480035 QMBNHZIRPNYPDV-HXUWFJFHSA-N 624.392 8.644 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCC[C@H](OCc2ccccc2)C1 2186391493 UZAAWJUMCBZWTB-SFHVURJKSA-N 517.283 5.022 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)c(F)c1Cl 2201617151 CYSJSJGXXMTKDR-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206401650 YMBDHMVXIRYLAB-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE CC[C@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206404821 YQQPWANVVPYTAH-UTEYVOQOSA-N 552.370 8.233 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1ccc(Br)cc1I 2207274388 ARPFVOFLFNPMDK-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2sccc2I)cc1C 2220438260 NXEVBXRHKJQXFP-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)cc(C)c1Br 2227420637 GPQCSJLFRMUYRP-JTQLQIEISA-N 596.802 7.899 50 10 KKGE Cc1c(F)ccc([C@@H](Br)c2ccc(Br)cc2I)c1F 2231084169 FONGHBDJZOKTRK-ZDUSSCGKSA-N 501.934 6.125 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 2296024798 FEDGIWXWTZSESX-UHFFFAOYSA-N 568.654 8.139 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2I)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645822 FLJRGPHUNCLEDG-UHFFFAOYSA-N 621.456 5.493 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@@H]3CCO[C@@H]32)c1Br 2312064198 VYYXVJIZKBWIJP-PAEGGXBQSA-N 568.723 6.208 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313545907 NJCLEZFUGSEGKR-UHFFFAOYSA-N 648.328 6.441 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313567179 HTVOKBXFHPCIGP-UHFFFAOYSA-N 601.328 6.599 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568793 YSBJJNYEPGVDAT-UHFFFAOYSA-N 719.317 5.459 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 2313631911 YUWURFNBOOYNKN-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314482405 KHJLDCWBSYNCJQ-UHFFFAOYSA-N 537.424 7.704 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2314482532 NGTADVUCBQTBCH-SSEXGKCCSA-N 536.557 7.607 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2 2314571164 BZTKFTRPGIQSSQ-OAHLLOKOSA-N 505.552 5.763 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592914 DKZXUIGSESDDDS-XHCCPWGMSA-N 598.090 7.786 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592957 DZKZTEVJPUHTMH-XMMPIXPASA-N 506.027 5.799 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314609999 BPIIXDDZZPBWCI-UHFFFAOYSA-N 542.639 6.367 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616697 HRKZTYYZGHZWMJ-UHFFFAOYSA-N 522.601 5.426 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618261 KHDIMMOYUSUYQY-UHFFFAOYSA-N 502.611 5.380 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331331275 ZUOHPOFJMAWHKD-NPMXOYFQSA-N 501.564 5.085 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1Cl 2331397875 CEMBJZSVLWJZQD-UHFFFAOYSA-N 517.394 6.584 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c2ccccc2)cc1 2331398457 XFPPQSXQNASLGC-UHFFFAOYSA-N 515.034 7.904 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1OCCC 2331437802 FVICZKFQTNHYTD-UHFFFAOYSA-N 524.686 8.339 50 10 KKGE Clc1ccc(CC[C@H](Br)c2ccccc2Br)cc1I 2337219312 RMQWDGQKZZACAS-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE C[C@@H]1CCC[C@@](CI)(OCc2cc(I)ccc2Br)C1 2341855575 CIEBTYDBBRJMMH-IAQYHMDHSA-N 549.028 5.954 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361172294 OCSCQGOKHUBUBN-HSOIFAIESA-N 506.156 6.574 50 10 KKGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 39858570 VVBBBWSLNSCPKL-SQFISAMPSA-N 507.333 5.348 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 40529918 ASQMJKHTHOIJRF-MHZLTWQESA-N 502.954 5.416 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 58893900 ZNUFGSUPDGKOFS-OSLARZAXSA-N 515.437 6.243 50 10 KKGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59166216 FEJLXAAORYSUFZ-QCWLDUFUSA-N 504.373 5.836 50 10 KKGE CS(=O)(=O)SCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 72131327 MZCNISZPXRZDFX-SWNXQHNESA-N 528.687 5.302 50 10 KKGE in-vitro CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914609 YQGSRYLRRANPFY-HHHXNRCGSA-N 501.067 5.284 50 10 KKGE O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1Br 97956060 APNRKRHZYDHBDA-LUNPLWTBSA-N 523.434 6.569 50 10 KKGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1cc(Br)ccc1OCCc1ccccc1 100206271 UETOZUKVTZOTHL-UHFFFAOYSA-N 545.433 5.724 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 100335727 DPLAWHPOTBIICL-OEAKJJBVSA-N 527.418 7.044 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100335919 WZJKXUIZWFSUHR-RGVLZGJSSA-N 556.254 6.023 50 10 KKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034230 HPXXZXXKHAPCCE-NTEUORMPSA-N 525.800 8.201 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367426 JMXGNGUEZSKSNN-JGCGQSQUSA-N 562.622 6.499 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)ccc1Cl 101370343 JOEWOAFIGWUOIN-DEOSSOPVSA-N 525.786 5.614 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101370681 IYLULXFSMVQCSY-NDEPHWFRSA-N 534.996 5.648 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c1 101387915 YNFRHMCCGJFVDE-PGUFJCEWSA-N 604.703 7.589 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101390829 BKDYVHAOTBFCQU-VWLOTQADSA-N 539.415 6.618 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2cc1Cl 101398697 CBEUFLSSYCZGOZ-HKBQPEDESA-N 595.026 7.859 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613496 AXOIRKIIITYEIU-WAQNPYFYSA-N 567.689 7.568 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(Br)c1 101766936 KALQPNOASPIVES-OCSSWDANSA-N 559.888 6.562 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c1 103741513 YDXANMUDTQGVCO-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)sc2Br)c1 104027140 DBFPPYGMMSYBEJ-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccccc1OCc1ccccc1Cl 104769421 DXANHXKFDWBARO-JFLMPSFJSA-N 541.054 6.460 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 104984336 IZNJTWCKUBOQMK-OCKHKDLRSA-N 560.275 7.506 50 10 KKGE N#C/C(=C(\C=C(/CC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 107165614 LRFDSPRXRVHFMM-KZUJGGMOSA-N 504.973 8.039 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150471151 XBDBCBOWJRTYPG-RUZDIDTESA-N 629.949 8.486 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 197477487 ZFRWPAYPCFTQHK-SFQGMUHNSA-N 701.893 5.876 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206695067 MPXLOWIDCLIQFC-HXNKFHKOSA-N 597.668 6.382 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1C 214232723 FRINOXRNMOIVMA-DIBXZPPDSA-N 520.633 6.195 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 252641111 YZOQNWXONFHMSF-UHFFFAOYSA-N 557.437 6.780 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 254592279 DEGHJHLJVNKVKE-UHFFFAOYSA-N 542.599 5.189 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254759356 URBKAMUBSPQXLX-UHFFFAOYSA-N 565.755 6.962 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccs1 254844990 IBFRSGXGFCQJMB-LJQANCHMSA-N 512.664 5.725 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC 254871952 JEPMOWBWYJGSSS-UHFFFAOYSA-N 557.720 6.190 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 256018216 SCKWGTVKCLYEGG-FMAQGABQSA-N 541.611 7.879 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2Cl)C1 382704945 FAZYURBDVZUCAK-ZWNOBZJWSA-N 500.602 5.488 50 10 KKGE CC[C@H]([C@H](C)OCc1ccccc1)N(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 503898172 MILMVSZEAFFKIO-VVFBEHOQSA-N 603.764 6.376 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@H]1[C@H](CCCCCCC(=O)O)[C@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C 504122199 LIPONQAUUSXPAR-JFCAZQBUSA-N 508.763 6.766 50 10 KKGE CN1C(=O)[C@@H](Cc2cc(CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)cc(-c3ccccc3Cl)c2)N[C@@H]1C(C)(C)C 504221780 AOXVANDYHWTODN-VPUSJEBWSA-N 595.269 7.748 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 605692748 WAXZORJPNLBJCF-OBMYNBPXSA-N 516.927 9.389 50 10 KKGE in-vitro CC(C)[Si](OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588260 LAVSLNMQPNHPSL-QFWBAHPJSA-N 697.001 9.876 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083817477 GEYKFJRDKMXPMQ-GBJGXZERSA-N 702.964 7.691 50 10 KKGE COc1cccc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c1 1083912876 CZOMUWPUHPHYSW-UHFFFAOYSA-N 622.541 5.934 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1 1084069310 PUVXWCVHZLNVDJ-UHFFFAOYSA-N 507.384 6.245 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084238646 CMLFUALOBBLEQD-MKMNVTDBSA-N 649.981 8.950 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 1084345273 CCOUKTOTZMLMEC-NDEPHWFRSA-N 557.607 5.552 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084381675 PJMIJKSEMLBOLR-UHFFFAOYSA-N 555.487 5.990 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 1084389380 KSISNZDQIJKYKC-NVMNQCDNSA-N 501.797 7.089 50 10 KKGE c1ccc(-c2nn(-c3ccccc3)c(=Nc3ccccc3SSc3ccccc3N=c3sc(-c4ccccc4)nn3-c3ccccc3)s2)cc1 1084506027 WDQIEEPMDHOSHB-UHFFFAOYSA-N 720.974 10.779 50 10 KKGE O=C(NNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(N=Nc4ccccc4)cc2)C3=O)c1 1084632486 IJBNQUDDOYFVOW-UHFFFAOYSA-N 900.868 8.268 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686072 QSVIZWQTFGHBGR-HSZRJFAPSA-N 503.389 6.381 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1865686519 WWSBULZVDIOIGF-QFIPXVFZSA-N 525.798 6.916 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865688962 GGTOJUDVOILXTR-JOCHJYFZSA-N 512.532 5.583 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689575 SVZDYCQQBDDQFA-QHCPKHFHSA-N 513.425 5.968 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865691181 LTIBVJYRFYDRTL-VWLOTQADSA-N 502.615 5.620 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865691552 VIDPXASJIHUALC-MUUNZHRXSA-N 551.647 6.129 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865694188 VILHRDXMTDBGFP-HHHXNRCGSA-N 514.585 6.318 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865694230 WDTDXQZSWCVPHM-RUZDIDTESA-N 543.023 5.886 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865694231 WDTDXQZSWCVPHM-VWLOTQADSA-N 543.023 5.886 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865694350 WUJDALPESKCKFO-LJQANCHMSA-N 502.468 5.105 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865695677 GIAVXDJKAULIEE-RUZDIDTESA-N 554.613 6.753 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696383 FIOJRLYIPOVLLQ-SSEXGKCCSA-N 552.650 6.261 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1O 1865697065 WAMNSERTHDFJMF-MRXNPFEDSA-N 525.712 5.290 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCCCc1ccccc1 1865697343 QFJGQSJTZZHXJX-XMMPIXPASA-N 547.537 5.524 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865702930 IPIRDFFGVILSJQ-IBGZPJMESA-N 539.341 5.942 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703026 LFVFSIPAQCCLEJ-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703576 BSLQSEJOYBVKSF-HHHXNRCGSA-N 563.460 7.127 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866756792 NPGUGJOEESZQIQ-GDLZYMKVSA-N 541.623 6.426 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1OC 1868207083 FRVALAHRPLTFSA-RSXGOPAZSA-N 553.688 6.104 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)CC2 1868364669 CYKVRRZYMWCMQI-JGCGQSQUSA-N 541.680 7.621 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H](C)N1c1ccccc1 1868414791 QEQRXJKNXORODX-NHCUHLMSSA-N 527.097 7.217 50 10 KKGE O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2cc(OCc3cccc(CCl)c3)ccc21 1871436948 DPPBHSIZVRXANR-AQHIEDMUSA-N 513.771 6.250 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1 1872751961 JACWTGXXDQVVAA-QETBKQIWSA-N 511.828 7.639 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 1873794929 JSFVNVOKVDZYOD-XDRVCWSLSA-N 508.018 5.505 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924570037 DIGTVVNNOPZYGE-ZCFIWIBFSA-N 572.740 6.016 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924596499 PLLBMQKSBCFWCH-QMMMGPOBSA-N 647.644 8.045 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23CC4CC(CC(C4)C2)C3)c1Br 1924602513 YINHUTGWUKQCJD-KRCHHAKFSA-N 547.976 7.688 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1Cl 2001996149 XTHVVUBDIXWOKO-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Brc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2033642911 NHFSIWPSIKPVEV-JTQLQIEISA-N 535.946 7.459 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccccc1C 2053614367 NSPPVBCRDSCQHD-UHFFFAOYSA-N 626.800 7.405 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C 2053623421 XEPZWSBIKWRMTH-UHFFFAOYSA-N 606.382 7.142 50 10 KKGE Fc1c(F)c(F)c(-n2nc(CBr)c(I)c2C(F)(F)F)c(F)c1F 2079258274 IHNVFVNIDOEVFK-UHFFFAOYSA-N 520.943 5.086 50 10 KKGE Cc1cc(C(F)(F)F)ccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079261436 ZFFDYLVHBLYYSI-UHFFFAOYSA-N 513.017 5.718 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 2081165472 QTPLRDYSRLDYJS-GGEKVXJASA-N 751.476 11.926 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085492594 NZXGYGVZUBUZEY-NSHDSACASA-N 558.742 7.780 50 10 KKGE O=C(O)C[C@@H](Br)C(=O)c1c(Br)c(Br)cc(Br)c1Br 2085493726 GHCODHUFICKQHX-RXMQYKEDSA-N 572.667 5.158 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)c(Br)c2)c1Br 2138849493 DUPPOLIAJDBNQV-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE CCC[C@H](C(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473258 NARJNNWCLGBXPG-PELKAZGASA-N 584.810 8.245 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Cl 2154125235 VRINRNKQQLBUBB-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE C[C@@H](c1nscc1Br)N(C)c1c(CBr)ccc(Br)c1Cl 2186578959 FTXRQUIJWOHYHJ-ZETCQYMHSA-N 503.485 6.414 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(I)ccc2F)c1Br 2201063585 DSNPHISVYQOTNH-OAHLLOKOSA-N 532.416 6.900 50 10 KKGE Cc1cccc(C)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396771 ATYSQXRKMMGQAE-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE Brc1ccccc1[C@H](Br)Cc1sc(Br)c(Br)c1Br 2222471649 LSHOKBFPHMYWED-MRVPVSSYSA-N 582.775 7.477 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)cc(Br)c1 2229150016 ISIWJSVROPAIMU-CYBMUJFWSA-N 532.295 7.306 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2232222389 INTWVNYKBJJHNS-AWEZNQCLSA-N 512.048 6.785 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)c(F)c1Br 2236110118 PFBBCJMQUXTOLB-NSHDSACASA-N 584.793 6.718 50 10 KKGE Cc1sc([C@H](Br)c2ccc(F)cc2I)c(Br)c1C 2253505207 PIJCSMTVNWWPFD-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csnc1Br 2260066280 VQWXEUKRSFIYTA-ZETCQYMHSA-N 526.820 6.193 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)c(=O)n(-c2ccccc2)n1C 2296727562 NYGPONOASLZGOE-UHFFFAOYSA-N 503.356 5.053 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1C1CC1 2312063981 LXPYLSVGCAZGGO-LEAAEXRXSA-N 522.300 7.063 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1C#N 2313510878 BAFZJPKNVSQNHF-UHFFFAOYSA-N 516.395 6.071 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567106 GLPHUGOZEAMAGV-UHFFFAOYSA-N 536.857 5.937 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314609937 ACQRSEBBZAYACS-UHFFFAOYSA-N 529.438 6.084 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314611045 PDEJMTGIWQVJEM-UHFFFAOYSA-N 528.612 6.121 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314616488 BXOLHFVFDQWQEB-UHFFFAOYSA-N 589.608 5.647 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314617852 BWNYFQIALIDLAQ-UHFFFAOYSA-N 529.600 5.516 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314618215 JNACYYRWHPUHRM-HSZRJFAPSA-N 621.719 5.345 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634318 BWYNPXONCYSBDW-YTTGMZPUSA-N 538.644 6.800 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 2314634326 CTHSBUYXICDWQY-SANMLTNESA-N 533.378 5.303 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 2314643167 FSCSYFGDEFYIKH-XIFFEERXSA-N 631.487 7.947 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1nc(Br)cs1 2320005105 VFMINCZFCUEYEV-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)c1 2331248720 OXPTYBAVWPUAHW-UHFFFAOYSA-N 516.044 5.597 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331461130 NOJLNMJBFZHYHV-UHFFFAOYSA-N 515.078 8.413 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)c(Cl)s1 2335295192 YVZHLVGZPFRXDZ-SECBINFHSA-N 532.281 7.857 50 10 KKGE Cl[C@H](C[C@H]1CC[C@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2367951209 MSLSLVGBMUZTOH-VDDIYKPWSA-N 550.354 7.843 50 10 KKGE CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 3658899 BHNMEHYKXBWBIW-ODIUUIGESA-N 559.504 7.614 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1OCC 6167573 MBNIAXQZWUCZFC-KNKDBZLPSA-N 635.783 6.407 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 33698435 WDBPURGIEYENEB-SDXDJHTJSA-N 500.942 5.393 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 38679207 HXPPVXIOHWDUKF-HHHXNRCGSA-N 520.969 5.340 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38686197 XKXHHTUBEVPATG-DFXYEROKSA-N 526.633 6.409 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38688746 DXASIUFOIRTNIE-RUZDIDTESA-N 516.937 5.849 50 10 KKGE Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 39884892 UPDPMIIICICLRV-NTUHNPAUSA-N 509.362 6.747 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(C/C=C/c2ccccc2)c2ccccc21 59160540 ZGXZAKJYAUMRMW-KINKESTNSA-N 514.629 5.269 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C\CCCCCCCC 72400251 YDEVHEQAUHEJSR-GXCBCVOFSA-N 635.414 12.307 50 10 KKGE in-vitro CC(C)C(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 97637637 UAVMGRQCYDAPCA-XTCLZLMSSA-N 511.022 5.093 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)c1 100188372 LLJCZXTXRJAZBZ-UHFFFAOYSA-N 538.442 5.147 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232705 HKJQBIPAPRCGQK-CAOOACKPSA-N 580.693 7.933 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)cc1 100233409 CHKRJMDRCCPJOG-APTYXWLQSA-N 589.914 6.443 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 101336040 GPCLZAHOFIVNPX-RDRPBHBLSA-N 552.675 5.901 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101337706 RFPAVPZLGZTZKT-NTESWFFVSA-N 625.128 8.125 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OC 101369098 AYLLYXYXNNBCSC-DEOSSOPVSA-N 521.367 5.294 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 101377833 DLWQYGOGYWWXMF-PMERELPUSA-N 526.633 6.872 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384975 SSIYBVKLZVFSFF-MGBGTMOVSA-N 615.513 7.898 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389772 NEXUGWGQIRQRCU-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101393681 FLFAOMZGXGENMK-MHZLTWQESA-N 551.023 7.784 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1Cl 101395161 YHGPZJSPWNEDEC-VWLOTQADSA-N 567.425 6.396 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(C)cc4)c(OC)c3)c(C)c2c1 101399052 LQLULTWKMOILJY-UUWRZZSWSA-N 600.671 7.637 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603735 ZZVDZLNCYDPYFP-TWKHWXDSSA-N 528.392 5.794 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 101761071 HQKLRMUNJMOEIK-VXLYETTFSA-N 529.431 5.306 50 10 KKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665926 YWHIKYMVAUFSQK-ZUGOUDHMSA-N 538.854 6.167 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 102933404 USMHGPVYUSCRCO-YVLHZVERSA-N 542.773 6.144 50 10 KKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 103649495 QNEWRICRRQTPNJ-PXNMLYILSA-N 538.378 7.170 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 103888199 YFYPCOWTZQLVOO-NDENLUEZSA-N 525.830 6.934 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccc(C)cc1 105054995 JROCLZFVRANHSK-FDAWAROLSA-N 578.046 5.441 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105055393 AZRMAJRWLAGEPD-KPGMTVGESA-N 598.280 7.318 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C3(C(=O)N/N=C/c4ccc(OC(=O)c5cccc(C)c5)c([N+](=O)[O-])c4)CCC3)cc2[N+](=O)[O-])c1 150421008 RLWARZYWTSVGMM-KWSSJOFQSA-N 706.668 5.329 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433844 UYYJCMJIHMPBGR-LJAQVGFWSA-N 712.438 9.930 50 10 KKGE CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2)cc(OCC)c1OCC 150622868 TUULHZZWSSAHRW-RPUDKEGQSA-N 664.797 8.501 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 198743612 WSYBQRGHXOLVAJ-ZCTHSVRISA-N 556.047 5.757 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@@H]3CC[C@]12C 253530241 QAKZCDKFOJOVRK-LTWYFJMYSA-N 568.624 8.763 50 10 KKGE biogenic C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530968 NMSPCYRUGUNCPZ-WWEZGCLQSA-N 720.661 5.130 50 10 KKGE biogenic CCn1c(SCC(=O)NN=C/C(Br)=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 254301562 TVKXXTPISNHEIX-GGWIWSIYSA-N 526.504 5.893 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 254447285 AEWRDGKDCOLMID-UHFFFAOYSA-N 536.726 7.379 50 10 KKGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3ccc(OCc4cccc5ccccc45)c(OC)c3)o2)cc1 254617120 JMTGATOVHANXPY-UHFFFAOYSA-N 596.709 6.237 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2OCC)cc1 254618248 JNSUZUYLKAXADX-UHFFFAOYSA-N 568.626 6.028 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 254633831 QOXIEPFBFLJLPT-UHFFFAOYSA-N 653.610 9.284 50 10 KKGE COc1cc(-c2cc(C(=O)NN=C(C)c3ccc(C4CCCCC4)cc3)c3ccccc3n2)cc(OC)c1OC 254821629 YZOWKJOPQYBNMS-UHFFFAOYSA-N 537.660 7.129 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 254840996 MIEZQJGZOBEKDY-UHFFFAOYSA-N 515.407 6.371 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256018954 CALAFIKKNBSBPP-QIMDFBOJSA-N 847.945 6.981 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 263630812 KEPFRHZZGJDCQY-UHFFFAOYSA-N 542.764 9.299 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Br)cc2Cl)c1Br 380099875 GLFPRFUVMREWBN-SECBINFHSA-N 513.398 7.430 50 10 KKGE Clc1ccc(I)c(C[C@H](CBr)Cc2cccc(Br)c2)c1 405357035 ZASYCOWQHYQTHH-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 504630976 XHYZJEQNKWDJPN-WXUYMIOXSA-N 724.999 7.509 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616669383 OGTWGXSDMPYJSM-NDEPHWFRSA-N 507.772 7.134 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 725389428 SRMHQLZTMCOXRE-HHHXNRCGSA-N 560.647 5.484 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C)cc1 725406904 VYOHRLWEOLLDBC-NDEPHWFRSA-N 565.508 6.428 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(F)cc1 1084025776 XXDXCGYZKYIQAT-UHFFFAOYSA-N 525.296 5.959 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084131198 BTXHSNTXRHIOOA-UHFFFAOYSA-N 572.799 6.499 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc2ccccc12 1084183509 IXQUKIRNIRIXFY-NLRVBDNBSA-N 538.047 6.337 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl 1084359598 ZRHUVLLBFDWWSS-UHFFFAOYSA-N 560.857 6.074 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 1084366864 WUEQDMNIGHLMTB-QFIPXVFZSA-N 519.798 5.785 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2C)o1 1084586028 QPBFESXQZMKIBM-VBKFSLOCSA-N 514.217 6.888 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c(Br)c1 1772749659 OBJLIVYDBMWHLD-UHFFFAOYSA-N 579.278 6.454 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749851 QEAYDGVOVDPDGD-UHFFFAOYSA-N 556.229 6.656 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2ccccc2F)cc1 1772754903 OTRWKFUCECKOQA-UHFFFAOYSA-N 512.031 6.424 50 10 KKGE CC(C)c1cc(CNCC(=O)Nc2ccc(/N=N/c3ccc(NC(=O)CCSS(C)(=O)=O)cc3)cc2)cc(C(C)C)c1O 1775955369 RFUIWFAOZMKLPM-ULDVOPSXSA-N 625.817 6.804 50 10 KKGE in-vitro CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865682375 NCXNXBHIIZGYSK-VWLOTQADSA-N 513.016 6.907 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685657 LLQGYEVHXZGEHK-JOCHJYFZSA-N 537.834 6.785 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687982 GCXWGBCYLGHSIP-HHHXNRCGSA-N 527.024 5.936 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694979 HCCMZDHEAUKETM-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865696957 LZHQHRBJTAYUCF-SSEXGKCCSA-N 542.639 7.098 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OC(=O)c1ccccc1 1865705124 MVYHVYOHQQUTAM-AREMUKBSSA-N 544.970 5.478 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705408 VBYWBDSGWJSQFL-NRFANRHFSA-N 536.897 5.982 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865708917 JCZBZZXAYVDZMW-LJAQVGFWSA-N 557.695 5.056 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714758 PRFURBJZKKJTCK-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Br)cc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433575 NXIMNWNIULFPGU-DEOSSOPVSA-N 578.923 7.454 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782690 PNGNWPQDSRQKLF-OVVQPSECSA-N 505.042 8.774 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Br)o2)cc1Br 1917591946 OJSMPBVFIQMSOZ-LBPRGKRZSA-N 501.838 6.668 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1sc(Br)cc1Br 1922943698 WMUCFXKFNSSRHI-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1ccc(I)c(Br)c1 1924054931 CITPLZBPBXAUDS-RTHLEPHNSA-N 515.414 6.295 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995047464 HMDUTARAPDISEF-SNVBAGLBSA-N 540.713 6.973 50 10 KKGE CCC(CC)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025778928 AMLAFZLAZDGDST-JTQLQIEISA-N 556.756 7.609 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC2CC3(CCC3)C2)c1Br 2037982941 SOXDEMVZWMVQQV-MRVPVSSYSA-N 521.938 7.442 50 10 KKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2056446619 HFEAMAVEYHIFKD-NRPADANISA-N 523.954 7.544 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 2072299941 DEAOBFLJJOQWIZ-ZCFIWIBFSA-N 586.767 6.324 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cn(C)c(Br)n2)c1Br 2083318420 PGUUKJVRIMQMKD-LLVKDONJSA-N 501.842 5.500 50 10 KKGE CC(C)C[C@@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495489 QVAJXALNCNMRTC-FUXBKTLASA-N 526.332 7.699 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@@H]3CCO[C@@H]32)c1Br 2085496346 VYYXVJIZKBWIJP-YZHYPFCGSA-N 568.723 6.208 50 10 KKGE CO[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2133842187 FEGNQNAFPLGUQJ-LKEWCRSYSA-N 537.937 6.677 50 10 KKGE CC(F)(F)C(C)(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468969 PQEJAXWAVHHWLE-JTQLQIEISA-N 548.285 7.698 50 10 KKGE CS(=O)(=O)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141470886 LRXISHYNSHQHBU-SNVBAGLBSA-N 560.327 5.594 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)c1ccc(CCl)cc1 2151789614 NIAVLHHQOHCWFU-UHFFFAOYSA-N 529.397 5.807 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 2154360334 CIGJDLYDALXJNW-AZUAARDMSA-N 512.717 6.488 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)cc2c1OCC2 2169667509 GPSSWXYJGMLYCO-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)s1 2233006998 ABTXWEWKWIMFNN-CYBMUJFWSA-N 503.481 6.900 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cscc1OCc1ccccc1 2259998088 ZMMLJVNXXLCZCT-QGZVFWFLSA-N 508.609 7.459 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1I 2269551867 ASYVDINOUPLAAG-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)c1 2296646531 LBONZWZOOFMILB-UHFFFAOYSA-N 667.379 6.722 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc2ccccc12 2313567775 KOALRYJCYSIASH-UHFFFAOYSA-N 526.374 5.417 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314452269 LHTHRZGGIOSCOQ-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591870 GMTJHDBBFKAIIW-XMMPIXPASA-N 504.011 5.722 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593544 OUXVIUVNUGKLTE-RUZDIDTESA-N 536.484 6.298 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593547 OUYIZNSNPLIBPT-QHCPKHFHSA-N 522.457 6.621 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314616562 DPTYADGVDSHSNX-UHFFFAOYSA-N 500.639 6.535 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314616733 IOZNMEOVGPTUMR-UHFFFAOYSA-N 556.666 6.472 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 2314616780 JOUQDXKESRIWJI-UHFFFAOYSA-N 635.746 5.371 50 10 KKGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617982 FCKDZWZRJLRTIG-NRFANRHFSA-N 506.986 5.089 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 2314634795 LVJGGXXCQSRALC-JGCGQSQUSA-N 552.671 6.864 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1C(C)C 2314770752 XXGZTDSSJFZKQV-UHFFFAOYSA-N 567.436 5.772 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)C2(Br)CCC2)c1Br 2317404869 WENNLRMUIQFHLU-GFCCVEGCSA-N 505.870 6.282 50 10 KKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1c(Br)cc(C#N)cc1Br 2329661998 RSGUFGSWUXIXMV-UHFFFAOYSA-N 509.983 5.391 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331350709 NNDCWNPOYGIPIC-AZUAARDMSA-N 501.652 6.519 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 2331376292 RDJNQZMIIFAKLG-UHFFFAOYSA-N 511.559 5.775 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc(OCC)c1OCC 2331390601 RWYOACZYVCHEEM-UHFFFAOYSA-N 515.031 6.927 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)c1OC 2331412633 QXGJEZWSLZEERJ-FUHWJXTLSA-N 505.596 5.238 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2COCC[C@H]21 2333303521 IPNLRYSRXLXCHC-UEFRMAIASA-N 538.299 6.299 50 10 KKGE Cn1ncc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2335371993 RMEQIAMDEATZSG-QMMMGPOBSA-N 542.799 5.717 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362238348 RUWQFNZTPXGQGS-GFCCVEGCSA-N 556.797 7.076 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364228592 OKJWZEAJSBMJCC-SECBINFHSA-N 531.868 5.509 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2365599184 URUMPXYLQFWLPT-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 935225 HUZSWTMLNSBSTB-CHTIKVTKSA-N 502.039 5.434 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1COc1ccc(C(=O)OCC(C)C)cc1 1950116 MBXIJLSUZOADNE-AMVVHIIESA-N 529.420 6.158 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 12492080 HGVIZTSQPUENQB-UHFFFAOYSA-N 501.627 5.508 50 10 KKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C\c3ccc(OCC)c(OC)c3)c2C(=O)OC)cc1 33672603 MXIAGFAWKSGUJY-ZHZULCJRSA-N 520.607 5.862 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38680803 KHPGLYQAUGFTJI-MUUNZHRXSA-N 510.590 5.995 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 38684335 QZRIIIBGDDVAGW-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)oc2ccc(Cl)cc12 38688549 XFBQBUQKHLLCJG-HHHXNRCGSA-N 506.945 6.985 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38701172 ZEDVPDDBPBZJPN-HSZRJFAPSA-N 502.979 6.391 50 10 KKGE COc1c(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)ccc2ccccc12 59165810 OVWXLACZQGTSRK-KRUMMXJUSA-N 504.373 5.836 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1OC 97914798 IFFDLQWEQJMVNO-NRSFRHGKSA-N 531.093 5.496 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100188379 RBCSPOZKFRPNFK-UHFFFAOYSA-N 538.442 5.147 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 100237165 UVTRTDBFHYZKQB-POBUXNOSSA-N 575.887 6.053 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 100238659 RMPUSSXUVVYTHR-APTYXWLQSA-N 620.459 5.771 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 100958149 YUGMQNJEGDKFDC-INMVOKNASA-N 612.436 5.318 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101295703 MRPZIXDUFLFUKM-SANMLTNESA-N 523.372 5.761 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101335342 XRPLPAVOLBDFQB-MTDXEUNCSA-N 579.056 6.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(Br)cc1 101363678 FOHCXSFQLFMQMY-NRFANRHFSA-N 526.184 5.649 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101386764 YUXZXNNMLBEQMW-KKIUXKEOSA-N 584.575 6.143 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1Cl 101390551 ILXLVTXSGCFFDN-VWLOTQADSA-N 539.415 6.618 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1Cl 101391474 CSYFMDMQJFLVGW-XMMPIXPASA-N 588.285 7.372 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101394263 PQHTWSXMIUNRHU-MHZLTWQESA-N 528.536 6.115 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 101397227 WSYWMGAXRSZZSD-YTTGMZPUSA-N 564.682 8.145 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)sc2c1 101397723 DIMWFSZURWRVBE-GDLZYMKVSA-N 597.067 8.019 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603484 NBFQYQPNBVTPAU-MUFRIFMGSA-N 525.219 6.924 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3Br)cc2)cc1 101713062 IGLAXEPWDIMBTR-FDAWAROLSA-N 529.434 6.533 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl 101727195 IETVSXOGENUBJL-WKULSOCRSA-N 538.094 6.684 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1Cl 102666315 GTYAAEAQPKOHTI-SLSCBCEPSA-N 542.875 7.020 50 10 KKGE C(=N\CC/N=C\c1ccccc1P(c1ccccc1)c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1 105359689 YPYYPCOFIRQIDP-CMRZERMZSA-N 604.674 6.741 50 10 KKGE CCc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422926 DGBFFAAAGBUINU-VYIQYICTSA-N 516.579 5.283 50 10 KKGE O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)OC3=O)c1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N\c3ccccc3)cc1)C2=O 105439426 VRGGQBSODOESDI-DTTHWBISSA-N 608.566 7.258 50 10 KKGE CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(\C)C=O)(C3=O)[C@@]14O2 138888327 KYPSMUUXSFJTAR-TWXGZCRQSA-N 614.779 7.384 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 150382954 QKEOSCSJVAKKGZ-OADPBGPJSA-N 719.155 6.201 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 150428448 AFUUDQSNKYMRIU-NJUOBVAOSA-N 662.322 5.867 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)cc(Cl)c6c5Cl)ccc43)cc2)cc1 150482917 JFHIHPOQARXNDD-NDEPHWFRSA-N 647.967 9.186 50 10 KKGE O=S(=O)(/N=C(\SS/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 150625328 ORCDXBNMUSMMIZ-ZUSIYWPSSA-N 621.614 7.346 50 10 KKGE C=CC(=O)OC[C@H](Cc1ccccc1)[Si](C)(C)O[Si](C)(C)[C@@H](COC(=O)C=C)Cc1ccccc1 170025192 UEEGQAUULCLARS-WMPKNSHKSA-N 510.779 6.097 50 10 KKGE CCCC[Si]1(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O[Si](CCCC)(CCCC)O1 196578835 LKIXPQWNKLANRV-UHFFFAOYSA-N 633.268 12.236 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@@H](O[Si](CC)(CC)CC)[C@H](CC[C@H](CCc2ccccc2)O[Si](CC)(CC)CC)[C@H]1C/C=C\CCCC(=O)OC(C)C 197597866 BDKOEHDXBRAVIY-ONPUMRPCSA-N 775.393 13.275 50 10 KKGE in-vitro N#C/C(=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1)C(=O)NCc1ccco1 206690518 UVZWZCWEKYXEED-ZNNRSUOBSA-N 504.542 5.701 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214250845 IYHKAWGAMZZFKP-RHANQZHGSA-N 546.602 6.258 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214257899 DSXJEUAJVKLAAB-OIADIFTFSA-N 522.649 6.417 50 10 KKGE COCCOc1ccc([C@H](Br)c2csc(I)c2)cc1Br 229016268 GOWHTMRTHLJINX-AWEZNQCLSA-N 532.035 5.625 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1cc(Br)c(Br)s1 232481727 ABOXETNMWUOEAP-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)sc1Br 235028446 CONMQYOGGAGGET-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 235628636 FMMNDMSYIBXCDC-BONVTDFDSA-N 515.027 5.127 50 10 KKGE Cc1ccc([C@H]2C(C=NNC(=O)CSc3nc4ccccc4s3)=C(c3ccccc3)Oc3ccccc32)cc1 252597228 CQDRZGKXFDYDLZ-SSEXGKCCSA-N 547.705 7.435 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cc(Cl)ccc1O 252607659 HDNZUOQCYDTACH-LJQANCHMSA-N 557.079 6.023 50 10 KKGE CCOc1ccc(C2=C(C=NNC(=O)CSc3nc4ccccc4s3)[C@H](c3ccccc3)c3ccccc3O2)cc1 252631839 VMWYKFQKHTYJJI-WJOKGBTCSA-N 577.731 7.525 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 254387247 WXPXWFHMCIIGSA-UHFFFAOYSA-N 547.571 6.321 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)s2)cc1 254492915 NDAZIRXWBBMQEI-UHFFFAOYSA-N 508.698 5.184 50 10 KKGE aggregator O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 254630130 QLJSZYLHPITLGY-UHFFFAOYSA-N 645.145 7.039 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 254843902 CHQVMLDSHICNDE-UHFFFAOYSA-N 577.710 6.381 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OCc1ccccc1 254845676 YKTMPNPPUWZTDX-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE CC(C)(C)[Si](O[C@H](CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1 256068566 CRBPHYMIRLKDFY-UJTUJTOWSA-N 647.838 8.473 50 10 KKGE CC(=O)O[C@]1(C[C@@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@@H]3Br)[C@@H]24)CC[C@H](Br)C(C)(C)C1 256445345 SJYSXOUMHQMJSR-DLMQFWBCSA-N 520.302 5.537 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC 263627966 ZVMKGIIANKJEQH-LJAQVGFWSA-N 517.651 5.412 50 10 KKGE CCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 388220496 BOPNRGIQXGDMQO-XXILOJSOSA-N 526.967 5.103 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2Cl)C1 394641277 TYXGZVMKTFUGBN-PBHICJAKSA-N 534.619 5.890 50 10 KKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C(C)(C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C)(C(C)C)C(C)C 605696346 VMDTYXALDGTNQY-HUTJIRTMSA-N 621.035 11.255 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584198 AQLURWHBCUUICR-RQZYVOLCSA-N 710.852 7.267 50 10 KKGE COc1ccc(P(c2ccc(OC)cc2)c2cccc3c2Oc2c(cccc2P(c2ccc(OC)cc2)c2cccc(OC)c2)S3)cc1 642813703 IIPHQECMQHCXDK-UHFFFAOYSA-N 688.722 7.494 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 721607525 BVMRQHGHZSCWOB-AWEZNQCLSA-N 514.064 6.897 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1 725399812 QYBSCNNOQIQNCF-WOJGMQOQSA-N 544.776 6.078 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)c1 1083879160 CHMCGMXVXKWAHL-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccc(Cl)cc3Cl)c2C)c(C)c1 1083894853 QQKREPJNNGHZMN-UHFFFAOYSA-N 523.258 6.309 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc2ccccc2c1 1083963547 IUFGFANSHOORBR-AREMUKBSSA-N 517.423 6.145 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 1084051092 YLQZLHLAQQICHI-UHFFFAOYSA-N 618.575 8.595 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 1084241842 JIACZTCHEARAMA-MUUNZHRXSA-N 687.372 7.149 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC(C)C 1084416084 OJZAAWSHMXLADC-NVNXTCNLSA-N 500.418 5.603 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 1084606752 VDIIJDVFSLQRFA-XMMPIXPASA-N 545.861 6.044 50 10 KKGE C/C(=N/NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 1615086523 IVSAOYOKGQGAQG-XLUKVANBSA-N 577.710 5.644 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1615773201 HRYAQLIYKSXPET-PCFSTXCHSA-N 988.212 11.054 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687287 NPEQQEXFVZIJAR-MHZLTWQESA-N 527.024 5.953 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865693282 UBSLCJTUFFFYPX-QGZVFWFLSA-N 543.384 5.726 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695425 OPKSWNDIUWDGKP-VWLOTQADSA-N 551.861 7.192 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695536 PLYONUZIVWYTPF-GDLZYMKVSA-N 533.031 7.038 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865696314 LWGJNLVANCZHEV-MHZLTWQESA-N 535.088 6.723 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 1865701302 RVDHHPCWRACGOE-GDLZYMKVSA-N 541.051 6.316 50 10 KKGE O=C(NCCCBr)[C@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865897184 OTPQOHLOEDVLJA-NSHDSACASA-N 553.067 5.409 50 10 KKGE Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866846639 AHPPRUDNBJESBN-XMMPIXPASA-N 578.467 5.635 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867202418 RHULECBGWMBEHU-FTJBHMTQSA-N 550.522 6.518 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CCO2)cc1 1868207588 ONSSUCDZXFLHAV-HHHXNRCGSA-N 507.663 6.524 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)cc1 1868364749 FKNFBBJTMVRUHZ-UHFFFAOYSA-N 509.635 6.517 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 1872781206 YCTFYEGLVBKTHW-CIAFOILYSA-N 511.485 7.775 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)o1 1899859499 KMOQWPGZINGTNX-SFHVURJKSA-N 501.012 6.868 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2[C@@H]3CCCC[C@@H]23)c1Br 1924584180 UQEFIKOLKCXZMG-HCVRKRLWSA-N 507.911 6.908 50 10 KKGE Cl[C@H](c1ccccc1OCc1ccccc1)c1c(Br)sc(Br)c1Br 1924602004 QOIMBMNJTCTWDK-MRXNPFEDSA-N 551.525 7.943 50 10 KKGE Brc1cccc(C[C@@H](Br)c2csc(Br)c2Br)c1 1945186828 NYIWKHIXWGSASR-SNVBAGLBSA-N 503.879 6.714 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ns1 2085495703 RYRJKMGIAAAGIN-JTQLQIEISA-N 648.632 7.440 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2092330220 GMNBDQSOGFPTBK-CQSZACIVSA-N 532.295 7.373 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1c(CBr)sc2ccccc12)Cc1ccccc1 2123244828 BISAMDMRHWFFSN-UHFFFAOYSA-N 543.552 6.119 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)c(F)c1Cl 2136967846 ZASGZRAQWLUQSR-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)cc1Br 2137639153 DBDMFYOATUMWJU-LLVKDONJSA-N 509.872 7.026 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 2137656199 OXLYHXLASQYCHZ-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c(F)c1Cl 2201611338 PCVSSSQGGCOQDG-NSHDSACASA-N 509.797 7.234 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206399343 GANMBGKEADMZED-LLVKDONJSA-N 615.154 8.013 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206408744 LSBYEPYNMRWCBU-ZDUSSCGKSA-N 676.060 8.590 50 10 KKGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCCC[C@@H]1Br 2207272815 PNXBKNISRLOJEY-JSGCOSHPSA-N 515.027 5.222 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)ccc2I)c1C 2218787250 HYRGMZAUISSBGI-NSHDSACASA-N 520.455 6.823 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2234056377 HDTDNFJLRHDBGX-ZDUSSCGKSA-N 508.645 6.154 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Br)c(C)c2)cc1Br 2235677344 HEHNRDQDTVKYHL-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Brc1cccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236085752 SFXXIVWKPDKWEX-OAQYLSRUSA-N 549.243 5.192 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1sc(C)c(C)c1Br 2237631866 PLSGKMWVWYOKEY-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238083587 ZRFGHEOZBAIEJI-OAHLLOKOSA-N 572.860 6.235 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1I 2248214352 IWFVFNNPKPDFIG-JTQLQIEISA-N 571.297 7.015 50 10 KKGE COc1ccc([C@@H](Br)c2ccccc2OCc2ccccc2)cc1I 2257368141 GDWRMJGEVHGJEL-OAQYLSRUSA-N 509.181 6.363 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Cl)c(I)c1 2268347935 VCYHZDKXPQYMCM-JTQLQIEISA-N 505.565 5.058 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(Br)c1Br 2272747937 PLCZOGVANNQLDI-SSDOTTSWSA-N 604.728 7.561 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2296636138 MZGKOOYKDNBCKH-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(Br)c2)cc1 2297321158 MPUISLKBQINCFM-UHFFFAOYSA-N 525.834 5.090 50 10 KKGE O=P(C=Cc1ccc(C=CP(=O)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1 2297451052 GDDMSQNYNOLQOO-UHFFFAOYSA-N 530.544 7.656 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 2313568038 OCZVXVXAULBRMF-UHFFFAOYSA-N 582.394 5.852 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc(C)c1 2313571392 VGAMFCULXKPAOK-UHFFFAOYSA-N 507.417 7.164 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(I)ccc1Br 2314515596 QWAMNMLLSBDYBG-JTQLQIEISA-N 540.873 7.215 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314532268 IJDSPJSFWRPDIN-UHFFFAOYSA-N 504.468 5.668 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591758 DDNPXFMAPFAQFH-RUZDIDTESA-N 501.583 5.598 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592396 SLJYDLRHURGLCQ-DEOSSOPVSA-N 548.462 5.831 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592403 SMPXZNDYBWMOPB-SANMLTNESA-N 565.617 6.902 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593097 HLPOWKMHRFCKSL-HRFSGMKKSA-N 530.093 6.767 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314617608 JTOKCRCYDZTQDU-UHFFFAOYSA-N 518.548 5.479 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 2314619734 DLFVWDCKONRGKB-UHFFFAOYSA-N 590.655 6.311 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 2314772565 IYMGNYYNPZVOAW-UHFFFAOYSA-N 510.417 7.448 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703140 CAVKLVPENROJQA-UHFFFAOYSA-N 504.608 6.278 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1OCCC 2331293505 SMQXHYRJQZOINS-UHFFFAOYSA-N 519.450 7.566 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccccc2)c2ccccc2)n1 2331362591 FJFRBPJWPHXPGE-UHFFFAOYSA-N 505.426 8.159 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1csc(Br)c1Br 2335290878 RKJXAWGVZKPCOH-VIFPVBQESA-N 532.281 7.810 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Cl)cc1Br 2360425758 FQTNXIGVMPRXHG-NSHDSACASA-N 526.252 7.795 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361200353 IXQHDWUKVRVBFV-QHCPKHFHSA-N 508.681 8.242 50 10 KKGE Cc1ccc(Cl)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362238141 UPBFNVKNFOTOSH-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)cc(Br)c1 2365217346 DGDISNFEKYNFAK-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 33935913 ZRDNNQOYMXKIQR-XFXZXTDPSA-N 508.308 7.219 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)c(C)n1-c1cccc(Cl)c1 34700929 RAWKLEPSVZLDDR-BOPFTXTBSA-N 501.755 5.898 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38649705 NPFQFHPCRINICF-XMMPIXPASA-N 503.396 6.184 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)oc2c1 38701130 VXDNQUXTFCIFST-GDLZYMKVSA-N 522.601 6.912 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100182093 ATEACRYKLGIZCK-UHFFFAOYSA-N 615.388 5.474 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)sc2c1CCCC2 100209989 PDDXPCZWWBOYNW-BSBOAJKNSA-N 551.709 5.574 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242318 ZIHUSRLKIKDYFR-UTDQILSNSA-N 528.417 5.338 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101332832 JLBMVPHSULWASM-VUTHCHCSSA-N 528.612 6.121 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337677 YZYXXLCJGFRQQW-LNVYCVNDSA-N 544.680 7.005 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1 101367338 LDOVADHTVOPJFK-FQUAKNSKSA-N 530.580 6.111 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc21 101368851 OXZIUXMVTKBYDF-GGCCLEMQSA-N 537.797 5.948 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1Cl 101373404 AHNCLCNJIKAKRZ-HSZRJFAPSA-N 539.371 5.616 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381335 KSSPOGOXZMLBDP-XIFFEERXSA-N 615.513 7.898 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385654 OONSWSVZYODAQV-GILSBLPBSA-N 565.025 6.765 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387946 ASKIXOQAUMQEOB-BHNGRWRESA-N 604.703 7.126 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101388584 XGQCJUBFMQUKOA-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)oc2ccc(Br)cc12 101391257 QXHQYZSNMJGFLW-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101397080 JBPIVONIMYZDEK-QFIPXVFZSA-N 571.869 7.698 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 101397170 GJWODZAVBJBHIA-SSEXGKCCSA-N 550.611 6.580 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399451 QOYLJXWWMJQTEH-YTTGMZPUSA-N 625.052 7.867 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc5ccccc5n3)CCC4)ccc21 101618763 ASEICPLQWQGPOZ-AVLPFNLUSA-N 555.638 6.987 50 10 KKGE CCN(CC)c1ccc([C@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 101783360 PKRIWWFLUPLBBU-GTPRLXIXSA-N 603.210 5.181 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 102421460 IYBBNBJCGWUIPS-LGMDPLHJSA-N 600.911 8.004 50 10 KKGE N#C/C(=C(\O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 102942124 PKNHAUJQHSSNRQ-OCOZRVBESA-N 517.511 5.740 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103742020 POECEEMGRFZGDO-CTHAODRQSA-N 587.326 6.499 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 103797347 WNLFFBYKQJFHNZ-KCSSXMTESA-N 539.429 7.420 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 103880560 KMJGWFFHSQGJLY-VWJSQJICSA-N 602.312 7.972 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)/C=C\c3cccc4ccccc34)cc2)cc1 109559788 GEFPDVBTZXDPJG-HKWRFOASSA-N 550.684 5.739 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118921160 YWOCDRCHNHTNKI-AESKLMAPSA-N 567.836 10.237 50 10 KKGE biogenic CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433033 RRIFGGPADPZNGC-JGCGQSQUSA-N 696.381 7.936 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 169682095 VOXJHJRLIGNTTG-GXWCGODMSA-N 644.722 9.986 50 10 KKGE CCCCC[C@H](/C=C/[C@H](O[Si](C)(C)C(C)C)[C@@H](C/C=C/CCCC(=O)OC)[C@@H](CC(=O)NCCC)O[Si](C)(C)C(C)C)O[Si](C)(C)C(C)C 195811807 PNHUVPQEWLEWQB-IDLWKBOKSA-N 742.320 10.946 50 10 KKGE CC(C)(C)[Si](OCC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC(=O)O1)(c1ccccc1)c1ccccc1 195840608 NXSSEMNSSZKBML-UHFFFAOYSA-N 622.954 6.215 50 10 KKGE CCCCC(F)(F)[C@@H](CC[C@H]1[C@H](O[C@H]2CCCCO2)CC(=O)[C@@H]1CCCCCCC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 205145861 DXVSMWCKXOCOJF-GDOLNUBESA-N 680.990 10.184 50 10 KKGE in-vitro CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205775230 UPTDRGDTWOHIPA-IMASQNRCSA-N 646.769 5.881 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205781299 CCJLPHKCSANYKR-LUNPLWTBSA-N 646.725 5.029 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C1=O 214353386 AWZNMTAQOIOPIU-ITYLOYPMSA-N 508.647 6.210 50 10 KKGE C[C@H](Oc1cccc(Cl)c1)C(=O)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 252591165 AYDNSUMACJQNKJ-SFHVURJKSA-N 537.841 6.752 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O 252637793 XWFDYMRTSZTEIP-WPLGIQMLSA-N 538.113 6.623 50 10 KKGE N#C[C@H](CC(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1 254354268 QVADNTMOMSXUBI-DEOSSOPVSA-N 549.587 6.046 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1ccc(NC(=O)c2cccc(C)c2)cc1 254386707 PUNTZSVJHCKAAM-UHFFFAOYSA-N 556.666 7.404 50 10 KKGE CCOc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O 254612469 IQXCFUOZIOXUFF-UHFFFAOYSA-N 543.693 5.887 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575626920 ACJHNDYFTFXEOF-XKTFGURNSA-N 984.181 5.736 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccccc2I)s1 688084275 IAPYFQKIJIZDEB-LBPRGKRZSA-N 502.009 5.746 50 10 KKGE Cl[C@@H](Cc1ccc(Br)cc1)c1ccc(I)c(Br)c1 721571681 HLHBJLJZEGREHZ-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE CCCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C/C=C\[C@H](CCCCC)OO)OC(=O)CCCCCCC/C=C/C=C/[C@H](CCCCC)OO)OO 725423201 SOQCDTNXVWQPLF-KIUDJHJYSA-N 989.426 16.220 50 10 KKGE O=C(N[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 888085998 RNCKSVHRHGEVDE-KAYWLYCHSA-N 565.453 5.925 50 10 KKGE CCCCC(C)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1083907035 PIQUGFOCQICITG-UHFFFAOYSA-N 512.075 6.340 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccc(Br)cc1 1083909611 ROBJGMCSORPXDZ-UHFFFAOYSA-N 538.261 6.015 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 1083939939 COFYJFMTESRFKX-XQNSMLJCSA-N 536.459 6.227 50 10 KKGE CCOC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 1084005551 UIQQWJZXWWEKTL-UHFFFAOYSA-N 544.655 6.801 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084020644 HEUFKNSGHCLWNI-UHFFFAOYSA-N 575.090 5.636 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(Br)cc3)cc2)c2ccc(C)cc2)cc1Br 1084029963 OECVTLYXWGWBIG-UHFFFAOYSA-N 685.438 7.078 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084078452 DLMQXKJOZJROFL-UHFFFAOYSA-N 604.589 7.692 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084126536 HDCXSVXAZASXPS-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1F 1084354922 NLTIFHNALMNNTP-UHFFFAOYSA-N 537.385 6.414 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084373913 WKFHUCAOETYSTI-UHFFFAOYSA-N 644.493 5.283 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccccc4O)c3C)sc3c2CCCC3)cc1 1084416934 JAJGVDPZYFIPPY-UHFFFAOYSA-N 526.662 6.065 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772746420 CCISAOHKXVANAN-UHFFFAOYSA-N 503.942 6.349 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746722 FVPPYEXYLVQWOM-UHFFFAOYSA-N 514.460 5.167 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccccc1)CCC2 1772747783 OXLHAJBPRJDWDN-UHFFFAOYSA-N 514.607 5.090 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OCC 1865686862 CUDZJRPJYYDBFN-MUUNZHRXSA-N 514.670 6.297 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865687932 DHGWHLDGOZFKIX-HHHXNRCGSA-N 519.004 6.632 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865688820 BUDZECOEGFTMPS-GDLZYMKVSA-N 528.612 6.708 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865689182 LZSWOVUFIWDKKR-AREMUKBSSA-N 533.415 6.293 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865689698 CPNAPMQATKPDTC-AREMUKBSSA-N 527.024 6.598 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690210 LNBDIVGBNBUZSG-MGBGTMOVSA-N 576.656 7.498 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865691752 AEOJZHVUPMFETD-AREMUKBSSA-N 579.539 6.669 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865695544 PQIZNUQKCICVFB-AREMUKBSSA-N 508.578 5.232 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865695981 AZMFOUVCZRFVNZ-FQEVSTJZSA-N 515.795 5.222 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704244 RCJLAMZWYQWIDZ-AREMUKBSSA-N 562.457 6.332 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714417 JUHJMRHIWBPPFW-QHCPKHFHSA-N 513.395 5.588 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714441 KJGLGSPXSCGAAE-QFIPXVFZSA-N 568.258 6.835 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715161 YGPHMLAYKITFGZ-HXUWFJFHSA-N 501.787 5.657 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866796982 RPCFLRUFHUQVLJ-XMMPIXPASA-N 568.468 5.881 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867003206 CBZOFKUMHIKWDP-WUFINQPMSA-N 531.653 6.047 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)nc(-c3ccccc3Cl)n2)cc1 1868413562 ATDRBYXGNBTPTN-JOCHJYFZSA-N 532.500 7.979 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccoc1Br 1899850151 UNUOCRNGCIWHCA-KRWDZBQOSA-N 501.012 6.868 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2sccc2Br)c1 1899890006 AKJWYFJXDGGBDX-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915265369 ZSTRQOHVUQQVIE-GOSISDBHSA-N 520.636 5.960 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(F)c2Br)c1Br 1922896500 FVPJHNCBHQOOTC-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923055186 QFEUDLUNYPAKMX-ZETCQYMHSA-N 514.291 7.718 50 10 KKGE Fc1ccc2cc([C@H](Br)c3c(Br)sc(Br)c3Cl)sc2c1 1923074473 MVWWHGXXVDSKJB-JTQLQIEISA-N 519.480 7.765 50 10 KKGE Brc1cnccc1C[C@@H](Br)c1cc(Br)c(Br)s1 1924047098 HZRLVQVPKOPENQ-SSDOTTSWSA-N 504.867 6.109 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924593058 BSYSLAYUDLDAOC-VIFPVBQESA-N 514.291 7.671 50 10 KKGE Clc1cccc(Cl)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595218 WKLFPCVRCPEGGK-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Cc1scc([C@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924604416 BKKZMSQKUCMBNA-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c1Cl 1925568901 NPBYGHUSTLYSJE-RXMQYKEDSA-N 520.320 7.779 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ns1 1983288706 CJLUZOGLKXOFLK-RXMQYKEDSA-N 575.765 6.739 50 10 KKGE C[C@@H]1CC[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)O1 1998140319 JXBYLFZLFCSEKY-VQVTYTSYSA-N 511.899 6.429 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2csc(Br)c2Br)c1C 2024029220 UEMFLNCGOPBQIY-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE FC(F)(F)C1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2037020999 MUFNMFORCJLLDA-DGZDMUDUSA-N 535.843 7.060 50 10 KKGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2054724663 MLRLOIWXHCPWFF-IGVZRYHESA-N 751.431 5.637 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(I)c1 2082377636 SMPARDUFLOWFLP-AWEZNQCLSA-N 500.399 6.500 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCOC[C@H]2C3)c1Br 2141475949 UMUJCRYNQLRUED-UAMTVZLOSA-N 582.750 6.599 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCCC1 2206396709 AEGIMFIGLRHNNI-AWEZNQCLSA-N 552.370 8.377 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2206399644 KBSRHOBRYTZJCG-BSFVXNEUSA-N 596.777 7.130 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206400659 RYAMPKLNISQKKZ-LLVKDONJSA-N 631.609 8.528 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2207275855 PQVSGIDBUTUQKC-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1I 2207363556 PCPIGDPSHOFQPC-CQSZACIVSA-N 534.388 6.339 50 10 KKGE ICCCCCOc1c(I)cc(I)cc1I 2211186058 NDETULCMVYAFAQ-UHFFFAOYSA-N 667.832 5.485 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cs2)c(C)c1Br 2220153479 AGLKGSJSSVAWPJ-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1sc(Br)cc1Br 2221705108 XLJOSJCLHMBDOT-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE FC(F)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2257858196 CFTJNQLORZYWCI-XAHCXIQSSA-N 531.880 7.153 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)c(Cl)s1 2272839278 DUBSAAGNGZWHLK-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2277975233 RFQYNLKRKAJHST-SECBINFHSA-N 554.323 7.182 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 2282787212 NWDFZBBJSZPNKG-HNNXBMFYSA-N 511.954 5.612 50 10 KKGE Cc1sc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1C 2288344197 HEICTMGPEYZWHE-NSHDSACASA-N 509.435 7.259 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1OC 2293202202 VYWWYQPRSBSHJJ-UHFFFAOYSA-N 510.059 6.901 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 2295934437 XULWCVCVKMXDMO-UHFFFAOYSA-N 610.917 7.459 50 10 KKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1OC 2295948558 KHSSLPWRWRWVNR-UHFFFAOYSA-N 501.995 6.688 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Cl)cc2I)c1Br 2300952985 CYIBANYKNWJVEM-NSHDSACASA-N 506.428 6.561 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1Cl 2313521327 GUDDNBKLVHDGNA-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313545770 DRCOTMYLRSGPIZ-UHFFFAOYSA-N 615.355 6.989 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)cc2)cc1 2314414711 JONFZDPZQOOKRB-UHFFFAOYSA-N 531.637 6.765 50 10 KKGE Cn1nc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1Cl 2314438686 AOBIHOFMBTYMSC-INIZCTEOSA-N 505.037 6.506 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314616921 MXGHGXVQXUGQEO-UHFFFAOYSA-N 560.610 5.358 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1OC 2314616956 NVHNUXSJMSQSHI-UHFFFAOYSA-N 616.718 6.487 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314617000 OSJRRTGEHRPJEN-UHFFFAOYSA-N 522.557 5.185 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618393 MUDQJGSGPUJNDC-AREMUKBSSA-N 552.700 6.203 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314640641 GRPBHYGAEPDBCG-YTTGMZPUSA-N 536.672 7.390 50 10 KKGE COc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2317956610 BLRYRQGAZIAWJU-SFHVURJKSA-N 502.655 7.236 50 10 KKGE Cc1scc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2320486956 UXKFMDCGAXOWKE-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331343108 UFQKKFKXYVUJDU-HSZRJFAPSA-N 503.649 6.144 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(CC)cc3)n2)cc1 2331345505 PNYGVFOKDIRMBD-UHFFFAOYSA-N 504.696 8.374 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c(C)c1 2331394592 YUMHFFJCYSLXKG-UHFFFAOYSA-N 509.562 6.625 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2336043502 FTHWGQGHENRKPF-NRFANRHFSA-N 541.077 7.284 50 10 KKGE Cc1scc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2343566710 NYRXUKYBYMVAOG-JTQLQIEISA-N 528.318 8.026 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2353075089 XHZNIOHBWSTIOK-SECBINFHSA-N 528.318 8.026 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362222762 DIZQDXUBAJJRKU-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1I 2365223252 LKBFLEHIZHXTND-ZDUSSCGKSA-N 597.285 7.354 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2366794631 KYVBAQNGIWSJDQ-SECBINFHSA-N 586.796 8.411 50 10 KKGE COCc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2368084393 UTQHGBVHEMHLEB-CYBMUJFWSA-N 612.801 7.429 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2888388 RPLNURYOYVEBEW-KWLPWJRRSA-N 587.293 5.547 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(Br)c1 14832294 UHJSHGPJPAMGEF-QGZVFWFLSA-N 530.463 5.321 50 10 KKGE O=C(COc1cccc2ccccc12)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 33349172 XVQMPLVTTTYLDB-LGJNPRDNSA-N 515.816 6.529 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 33706396 AXMDJXKJZFVWEN-JZJYNLBNSA-N 508.578 5.647 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 35519317 HCPSXJVVMGTLDB-RCCKNPSSSA-N 509.432 7.489 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660929 MNDOIZJNBSPGPD-HKBQPEDESA-N 518.569 6.244 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38683172 GWOKWWFMIFBWAD-VWLOTQADSA-N 519.941 5.864 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)cc1 38683894 ZXSHSALIFCYEKQ-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38684002 AZDLQDGLZNBUNE-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823076 CSYRYPSZODGGLS-WPWMEQJKSA-N 501.768 5.122 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cccc(C)c1 40947738 CYJQDLLAPCPRQP-JFLMPSFJSA-N 504.637 5.344 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccccc1Cl 59463001 VCHWTURXEXFMGQ-AMVVHIIESA-N 513.859 6.976 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101339412 KRZZOIIOAIQASU-JVWAILMASA-N 529.556 5.548 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCCC(C)C 101375159 URPWJKCQLJDGGT-ICACTRECSA-N 570.686 6.664 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)c(OCC)c1 101388346 HCQOWFUMDPTSQF-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101395823 PGQRSEVVQSDGBZ-SSEXGKCCSA-N 587.072 7.656 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5)c(C)c43)coc2c1C 101619825 OWSQRQUJNVISEC-DFKUXCBWSA-N 547.011 5.079 50 10 KKGE CCN(CC)C(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 101727492 HDZSKKQLRUDLMU-KVSWJAHQSA-N 625.998 5.724 50 10 KKGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1c(C)cc(C)cc1Br 101965408 BFGHLCVZEIEAKE-GZIVZEMBSA-N 549.057 5.129 50 10 KKGE COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C(/Nc1ccccc1C)SCC(=O)NCc1ccccc1 102931657 YQMLNHQFOFQGAJ-HFTWOUSFSA-N 535.069 5.801 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1C 103732639 JLORQMSSVJFTEY-OAHLVZFQSA-N 611.722 6.915 50 10 KKGE Cc1c(Br)ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3C)o2)c1C 103816428 YXWCKEBAAXLABN-GZTJUZNOSA-N 528.244 7.251 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2OCC)cc1 105059704 INJXJLYALDHEOR-XZYGTATASA-N 607.490 7.353 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCCCn1ccnc1 105479966 GBGIXIUIDSZGOQ-XHPQRKPJSA-N 546.606 5.567 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccccc1I 109836291 BMIYUWUVHQBREY-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118920990 VOXJHJRLIGNTTG-XBHIEDHGSA-N 644.722 9.986 50 10 KKGE Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150387357 SDJCJEUWRDPJBU-UHFFFAOYSA-N 630.156 5.150 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 150420096 NXGPQJJYDCMLHY-VUMGZPTDSA-N 652.704 5.002 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150461127 YXTOTERTJDYPRC-YTTGMZPUSA-N 651.513 7.837 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150486112 OJRAXRUQMHFDRV-RUZDIDTESA-N 724.783 8.883 50 10 KKGE COC(=O)CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O[C@H]2CCCCO2)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196880930 NNCUXEYCPYHOSU-LVFGIMQQSA-N 594.865 5.761 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206679912 QUOBVQNBSQQXGR-WZPWCSTLSA-N 558.631 6.098 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 214399050 GZWSVQAFUWZWEQ-PKAZHMFMSA-N 589.608 5.300 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 252622350 NTJDNNROEFCLEK-XMMPIXPASA-N 577.758 6.510 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 252637644 XUZZTYWEMAEZFN-SAPXOYMRSA-N 541.051 6.367 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=C/C(Br)=C\c1ccccc1 254770939 JGGJUKZZMKMPFL-MFNUKGMISA-N 505.441 5.715 50 10 KKGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(N2CCOCC2)c(F)c1 254861872 IODDDBYMIWBWQL-UHFFFAOYSA-N 600.716 5.207 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(C)cc2Br)cc1Cl 312647879 SWQSEXQXUSUTNJ-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2I)C1 382728585 SJMVKBRRVOAONC-PBHICJAKSA-N 581.619 5.732 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616584650 AQLURWHBCUUICR-YMEQVOKCSA-N 710.852 7.267 50 10 KKGE CC(=O)/C=C1\[C@](C)(C(C)(C)CC[C@@]2(CC(=O)NNC(C)=O)CCC(C)(C)C[C@@H]2C)CC[C@H]2C(C)(C)C(=O)C(C#N)=C[C@]12C 1082165328 GVLUIPVORPAWJS-IFVJDOHZSA-N 593.853 7.180 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083818325 AUHUBWQSDUBDNK-BDUWWWMKSA-N 602.882 6.424 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084008978 CZDVKLBFZNHQKC-UHFFFAOYSA-N 575.553 7.904 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084051841 XHVPGVPZRCNOSM-SNWHFVAUSA-N 618.589 5.870 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(F)cc1 1084117696 QYBAACSDMNRADP-UHFFFAOYSA-N 504.521 6.623 50 10 KKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1Br 1084132641 LRECYDQADLIOFU-UHFFFAOYSA-N 512.618 6.752 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084147031 FUTANJZZGZXDTO-UHFFFAOYSA-N 526.666 5.206 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cccs1 1084186638 SEOBLFQPIRPTKW-UHFFFAOYSA-N 622.653 5.954 50 10 KKGE CC(=NNC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084216794 HCOCAXPJHIPTLD-NYULUDCUSA-N 506.046 6.938 50 10 KKGE Cc1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)ccc3OC(=O)c3ccccc3)cc2)cc1 1084274784 NBOGPPPWPBINAD-UHFFFAOYSA-N 556.416 5.993 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1084280940 IQRRNFXZPLYZLY-UHFFFAOYSA-N 551.488 7.387 50 10 KKGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 1088689559 PTNXNKAXHGEIAS-FQEVSTJZSA-N 502.880 5.119 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746759 GLZXICANTDFMRT-UHFFFAOYSA-N 541.007 5.454 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748644 ZWDNRJBQEKYLAJ-UHFFFAOYSA-N 514.585 6.526 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772752193 YDOVLVWUFTXXMJ-UHFFFAOYSA-N 541.604 5.779 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccccc1Cl 1772753373 XCWXGNRELKMDQR-UHFFFAOYSA-N 531.834 5.836 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 1772754898 LJLZSIWTEICMIJ-UHFFFAOYSA-N 552.121 6.992 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682034 DNDXVSKWYQUJGU-PMERELPUSA-N 520.592 7.072 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684398 PUBUCTHNYWVPES-HSZRJFAPSA-N 531.385 5.727 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc(Br)c1O 1865687806 AVUIEBFWFCQBOU-JOCHJYFZSA-N 560.408 5.028 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865689653 VNMWIIRMOHZIJX-OAQYLSRUSA-N 509.780 6.423 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693622 KZTSQUVBJZHVFA-SFHVURJKSA-N 509.315 6.205 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccccc3)cc2)cc1 1865694462 YIUYRUKNAZXYMO-GDLZYMKVSA-N 510.597 6.645 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865703770 FJYLPLGTZQSUGS-HHHXNRCGSA-N 565.432 6.492 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704956 ITVQAGAFWGCKRM-AREMUKBSSA-N 559.453 6.628 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(Cl)c1O 1865706910 IPMPOCZGJHBSBQ-JOCHJYFZSA-N 502.933 5.323 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866782226 OVCMCIWHXFJXSZ-XZWHSSHBSA-N 587.717 7.117 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072218 OJWZODBFCOXOIN-NRFANRHFSA-N 526.709 5.201 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)cc1C 1868457092 ZTTHWPDBDYXYRY-UHFFFAOYSA-N 553.663 7.016 50 10 KKGE COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1OC 1871436970 FULHEXJSDMWFHC-UHFFFAOYSA-N 504.888 6.814 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)\c2ccccc2)cc1 1872752237 SQMHMFVSIPMDBZ-GAUGIJTMSA-N 514.650 8.784 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872758393 YEUDDONVHFKNRW-ATHPHSJWSA-N 519.648 5.646 50 10 KKGE O=S(=O)(c1c(Cl)cccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915169838 LIIUALGPFCIPFF-KRWDZBQOSA-N 507.675 5.467 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2sccc2I)s1 1922921891 WAIKKRNWKXJOHL-ZETCQYMHSA-N 542.881 6.424 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)sc1Br 1924034131 XFXWFKAACXPSKC-UPONEAKYSA-N 518.894 6.670 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@H]2CCCC[C@H]21 1924614827 ROJRMENWDMMWRQ-PRFIWBCESA-N 505.541 7.922 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(I)cc1 2036570131 ACWQQYBJIRWRCQ-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(I)sn1 2085642032 IZRIENOTMDOZBD-LLVKDONJSA-N 502.997 5.312 50 10 KKGE CC12CCC([C@H](Br)c3c(Br)sc(Br)c3Br)(CC1)CO2 2133547617 KESWFZPVUWLFRQ-UHEGKEBESA-N 537.937 6.821 50 10 KKGE Cc1cccc(C)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396770 ATYSQXRKMMGQAE-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE CC(C)(C)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206401994 NLNWQWNOGUQNPF-CYBMUJFWSA-N 596.821 8.389 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206410248 VZOXVWRNBMVEBF-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE Cc1cc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)ccc1I 2207111320 ORFAXMFIXXGQPS-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(C)c1Br 2218965041 MPZDTCWRXBCDCL-SSDOTTSWSA-N 513.929 7.696 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2225615599 JIAXKWPCVJYSMN-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232512330 NHXNBKBKCDUTQU-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2270961510 QGAJIFXWIHXGRE-JTQLQIEISA-N 528.318 7.979 50 10 KKGE COc1ccc(C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1COc1cccc2cccnc12 2295672202 ALUJSKIPWUJHRR-UHFFFAOYSA-N 523.589 5.105 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 2297321113 UUIUAXXYVQCLQD-UHFFFAOYSA-N 549.370 6.083 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)S(=O)(=O)c1ccc(Cl)cc1 2314476466 PBCAUQDDRJLRMV-UHFFFAOYSA-N 570.045 7.249 50 10 KKGE Clc1c(Br)cccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497462 KLXWNSFSCIKWTL-IBGZPJMESA-N 501.045 7.772 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314611646 YMDVYOGMRVVMFO-HSZRJFAPSA-N 536.676 6.889 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617830 BOCGTQOFEQIPGZ-XMMPIXPASA-N 540.623 6.458 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314619761 FAHIJYZWALGBRL-UHFFFAOYSA-N 607.066 5.927 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 2314634385 LNCYIBJQPVPNFU-HKBQPEDESA-N 540.616 5.966 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OC)cc1Cl 2331377227 ZIXSCBYLDDTRFH-UHFFFAOYSA-N 509.971 5.435 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c(OCC)c1 2331386573 ODMUXARUWRYCRB-HXUWFJFHSA-N 517.651 6.324 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c(OCC)c1 2331473867 KUIWVKGOOPVHIT-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331491807 NZISGQUFZTYRBD-UHFFFAOYSA-N 517.050 7.822 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)c1Br 2337082113 HQJQNHGUGSWKRC-ZETCQYMHSA-N 621.183 8.075 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sc(C)c(C)c1Br 2365229280 YEWFWQAFKWJOID-LBPRGKRZSA-N 549.923 7.584 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(I)ccc1F 2365230447 IZLOOXVXKLNTMN-CYBMUJFWSA-N 536.379 6.731 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cc(F)cc2Cl)cc1Br 2366409519 WSVXMDYKTMNULV-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2scc(Br)c2Cl)c1 2381258491 RXFUTZIRNPFVQX-LLVKDONJSA-N 503.481 6.982 50 10 KKGE O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccccc1OCc1ccccc1 4209442 GTHHKKFZMZEAOB-KCSSXMTESA-N 541.028 7.117 50 10 KKGE COC(=O)[C@H]1[C@@H](CBr)N(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 33887548 IEGXNGWHVKFPCB-DHIUTWEWSA-N 508.803 5.335 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NC[C@H]1CCCO1 35445990 ISGLYYJEJRKLIA-UJVJZFQOSA-N 504.590 5.320 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 38679269 IOWGIRIKTRQSJI-XGCWNURASA-N 518.541 5.214 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686488 GZENTIRHZWIINS-PMERELPUSA-N 506.533 5.771 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 40911622 VOHQGRWQNVQFDW-AMVVHIIESA-N 515.437 6.542 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1 58892826 RVMPKPITPMWISZ-VNIQIGACSA-N 511.416 5.391 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 59335788 BZZAILUPJAUFDI-WQRHYEAKSA-N 516.222 7.189 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 100078092 FIRACYGEGUUAKV-UHFFFAOYSA-N 573.502 5.258 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100176224 FABRSCWYHMUHPO-OAHLLOKOSA-N 556.295 5.120 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100177813 ZYIGPWJQXISPRV-INIZCTEOSA-N 572.887 5.881 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1 100182040 IWRMJYPYZPVXQM-UHFFFAOYSA-N 550.519 5.020 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 100235989 IJLONXRACLQIRV-OSGOCAMQSA-N 561.476 6.544 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100327349 KAPZTDVCDNOWAF-HDNNTFNPSA-N 566.279 6.307 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101333256 QUUABPRQTXXAJE-MTDXEUNCSA-N 522.649 6.357 50 10 KKGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101336349 KQXXNNVRMMSHJF-OEAKJJBVSA-N 509.002 5.335 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Cl 101340804 ISOHFGQKJJDESJ-WPWMEQJKSA-N 611.529 7.817 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341289 PVSWGLWKUNISKQ-MTDXEUNCSA-N 552.631 5.182 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1OC 101372121 BWYNPXONCYSBDW-FQUAKNSKSA-N 538.644 6.800 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378898 KNUQJJLJGXXZHV-WJOKGBTCSA-N 532.596 6.410 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101386984 MAMXLYTUGXYPEO-JGCGQSQUSA-N 578.640 7.148 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101388254 YOWBULUECUBIQX-MQFAKOPTSA-N 615.057 7.048 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388351 IHWXAWYMZBWVFY-YTTGMZPUSA-N 601.486 7.337 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388616 DBPCAFNMJKDACZ-MQFAKOPTSA-N 615.057 7.048 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101395204 KVCQJXMPQPYSRP-HHHXNRCGSA-N 575.086 7.488 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)CC1 101399472 NVMJNQUJNPYLRI-SJXKLIHDSA-N 584.688 7.533 50 10 KKGE COc1ccc(/C(C#N)=C\c2cc(Br)c(OCCOc3ccc(C)cc3)c(OC)c2)cc1OC 101415140 JROTUWAOOOTHLM-BKUYFWCQSA-N 524.411 6.305 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OC(C)(C)C)c1C 103625731 FESCTKACUFHTEO-CPNJWEJPSA-N 523.680 6.905 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(F)cc1 103796290 CTBSWMFDDUHWEK-XICOUIIWSA-N 533.603 6.943 50 10 KKGE CCCSc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)cc2)cc1 109562944 GJEJJXBHZPBDIV-MEFGMAGPSA-N 595.728 7.921 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccc(I)cc2)c1 109844320 OMKLOQJCPXXBRQ-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 150482152 YDHXVOXUTGUFDI-SSEXGKCCSA-N 635.931 8.452 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccccc1C 150545304 HJNUCPIEPHLISK-GRSHGNNSSA-N 640.827 7.795 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1Br 164602549 VJOXCVHFGQWJEO-KCSSXMTESA-N 626.960 6.579 50 10 KKGE CC(C)c1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 206542916 JFNBCDQDFOJKDG-FXONECCMSA-N 506.558 5.920 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)ccc1OCCC(C)C 206955607 AOWPFWPTNUFFPQ-VFPQZELDSA-N 514.578 5.555 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214298083 KQNCNUFARXUGJZ-GTWSWNCMSA-N 590.655 6.276 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 214332492 XNDADFVKPUISCB-PVWQUUJCSA-N 534.619 7.046 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 214369891 XSHNHGORRGIDGE-USHMODERSA-N 620.681 6.319 50 10 KKGE CCOc1ccc([C@H](Br)c2cccc(C)c2I)cc1Br 233791875 VSOJAVRXJXLPFN-HNNXBMFYSA-N 510.007 6.245 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Br)cc2)o1 252608336 HJIXBERULAMMIE-UHFFFAOYSA-N 500.352 5.328 50 10 KKGE CCn1c(SCC(=O)NN=C/C(Br)=C\c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 254301563 TVKXXTPISNHEIX-MFNUKGMISA-N 526.504 5.893 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1 254305334 MVTHMGVBVBDCLY-UHFFFAOYSA-N 503.631 6.152 50 10 KKGE O=C(NN=C(CCCCl)c1ccc(Br)cc1)[C@@H](Sc1ccccc1)c1ccccc1 254617743 SVZLEOGTSMZJPV-QHCPKHFHSA-N 501.877 6.822 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)COc2c(C)cccc2C)c1 254743748 HCVGVQQAXBOIKB-UHFFFAOYSA-N 574.269 5.885 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3OC)nnc2-c2ccc(C)cc2)cc1 254800038 OVJDJHGNQGETGS-DYRUROPNSA-N 513.623 5.167 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254855094 DTWBPLPTQYRFDJ-PCJZJSDKSA-N 665.772 6.474 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 312374950 QHHAWOHHYDQYAG-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Cc1cc(C)c([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 312706174 DNHCCNRCXHBUKA-INIZCTEOSA-N 528.453 7.070 50 10 KKGE ClCc1nc2cc(I)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390456827 AIMARFVVBZNSRE-UHFFFAOYSA-N 529.853 6.472 50 10 KKGE CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C 642881445 DHKGGVYBBGPMCZ-LBDUBLSESA-N 623.080 10.035 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 725392099 YQOLOIMRDDYPKI-UHFFFAOYSA-N 597.140 6.907 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c(C)c1 725394764 ADLANTVQGIHTGW-YTTGMZPUSA-N 536.701 6.249 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1cccc(Cl)c1Cl 725402651 POZCPAABFDRFES-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 725431439 DFLQMWOUVRQPMS-SSEXGKCCSA-N 543.092 6.286 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817665 WUWBJKZWDLYUSB-STVCLKQXSA-N 684.943 5.808 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 1083921032 AHCJLIZYILBOPQ-UHFFFAOYSA-N 527.425 5.893 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1OC 1084007587 GSZHKSLTLHLMSH-UHFFFAOYSA-N 639.572 5.528 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1Cl 1084024343 ZLROGUAXOCXZCX-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(C)c1 1084047954 QTIKITWLXIYDPO-UHFFFAOYSA-N 507.384 6.245 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084218687 KNOQQYFKLACJKK-UDWIEESQSA-N 697.198 7.195 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)OC 1084245793 BCFPYZOZZYLGLH-UHFFFAOYSA-N 537.616 5.506 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 1084255151 XLPKYEJBXAIQBU-HKBQPEDESA-N 566.639 5.712 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084330187 XCYMMKVCIPUSDX-RQZCQDPDSA-N 531.779 6.478 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c(C)c1 1084531253 YLOSHQUPRAVCDK-UHFFFAOYSA-N 523.475 5.070 50 10 KKGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 1084584550 YKSFCFCWCKTQJW-UHFFFAOYSA-N 504.439 5.314 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1565517634 BIQMYXFCXQVFRO-XMMPIXPASA-N 683.336 6.629 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614623649 QYXNBTZBKNEMDI-CVEARBPZSA-N 545.171 5.145 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747354 OQHKBQYLSFKBOP-UHFFFAOYSA-N 515.353 5.455 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748474 KWRWZBHAQLBHLT-UHFFFAOYSA-N 555.034 5.305 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748977 VFLOXMQQAMFTOV-UHFFFAOYSA-N 506.389 6.771 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1772754905 OWAWYBJXCLRQOL-UHFFFAOYSA-N 562.931 7.592 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@@H](OC)[C@@H]2O[C@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](/C(C)=C/[C@H]3CC[C@@H](Cl)[C@@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC 1857788304 KASDHRXLYQOAKZ-MHUWTNRSSA-N 810.466 5.719 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865686814 BOADKTOCXMJACE-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686977 GQSLVLSZUCUOGJ-MHZLTWQESA-N 561.469 6.606 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865687100 JLCSEWIELCTDQB-RUZDIDTESA-N 541.479 6.927 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687571 VDZUKYMVVQZRJD-NDEPHWFRSA-N 541.051 6.343 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865692714 FJCSMCSRGVMDEL-XMMPIXPASA-N 527.422 6.309 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701080 LCZMYKHKYSJVKH-GOSISDBHSA-N 550.638 5.342 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704459 WKKPVAVHANKGLN-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705431 VVMBCPKLODBSGA-MHZLTWQESA-N 555.034 5.983 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)c1OCc1cccc(C)c1 1865705689 CELIUCWGAZXIKZ-QFIPXVFZSA-N 533.510 5.400 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(Br)cc3)c2C(=O)OCC)cc1 1866128987 WQFNIJMQLFVAPG-XMHGGMMESA-N 539.451 6.689 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)OCc2ccccc2)c1C 1866215269 KZDONGLIQWMFJI-CJLVFECKSA-N 548.617 5.161 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NC3CCCCC3)nc(-c3ccccc3Cl)n2)cc1 1868414412 LZNRALCRIJNGRU-DEOSSOPVSA-N 533.101 6.531 50 10 KKGE CCn1c(/C(C#N)=C/c2ccc(OCc3c(Cl)ccc(Cl)c3Cl)c(OC)c2)nc2ccccc21 1872731358 XSMXUKIPTJUCTJ-SFQUDFHCSA-N 512.824 7.668 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 1872791199 BCOHQJRZRLORGP-WOJGMQOQSA-N 522.468 7.696 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OCCC 1872818313 WSBXQRIHIICFAM-PVCXERSVSA-N 517.607 5.865 50 10 KKGE Cc1nc([C@@H](Br)c2sc(Cl)cc2I)c(Br)s1 1900917655 ACMOPHQMFCUMAS-ZCFIWIBFSA-N 513.445 6.018 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1924594979 RSGZPKZGUGQOMY-SECBINFHSA-N 542.287 7.265 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 2003567271 CLOSBEGXRGHZRL-SSDOTTSWSA-N 524.923 6.539 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccccc2I)cc1OC 2053623258 OLGPQTGHYMUBJI-UHFFFAOYSA-N 527.156 5.007 50 10 KKGE Cc1cc(C(F)(F)F)cc(-n2nc(CBr)c(I)c2C(F)(F)F)n1 2078930021 PZEYVBOOBLMCJW-UHFFFAOYSA-N 514.005 5.113 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2OCC[C@@H]21 2085493305 AKSJBKVAIFXUJK-ASPDEFHUSA-N 524.272 6.051 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(F)C1 2085493578 DKDUAAWKRAXALU-RVUVVNSJSA-N 528.279 7.155 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCC2 2085496433 WPAQPHACSFPIND-PWCHPLFNSA-N 522.300 7.207 50 10 KKGE CC(C)(C)[C@@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 2111374635 RDCIFODGNMZBHC-NTSWFWBYSA-N 503.472 7.633 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2scc(Br)c2Br)c1Br 2136381037 DYGCNSHGUMZEJD-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2138249046 UHKKJXJCBHPQSZ-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1ccc(Br)cc1I 2142285592 RLTLPVDGXQTXPW-CLAHSXSESA-N 515.414 6.295 50 10 KKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)c1ccc(CBr)cc1 2151791653 XZUFQFIAKAREKZ-UHFFFAOYSA-N 526.848 6.121 50 10 KKGE CCCOc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CCl 2152216892 ITYSGXQTSZUYSY-UHFFFAOYSA-N 501.092 5.537 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(I)ccc1Br 2203814245 GLHAEOFNOPAGTB-CQSZACIVSA-N 530.425 6.461 50 10 KKGE CC(C)(C1CCCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396314 VITPSOSLDPVCDZ-CQSZACIVSA-N 552.370 8.233 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2206399770 LJAXPAIMKPZXTO-LLVKDONJSA-N 659.634 7.200 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206408490 JTQJDZDSGOBGRO-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225321032 GIHGOSSGHSKIQV-SJQPAMGKSA-N 535.965 7.688 50 10 KKGE C[C@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN(Cc2ccccc2)C1 2234074792 OAPADLVRWGYCMI-GOEBONIOSA-N 511.689 6.383 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Br)c1 2240827461 XKJCSOKDEYPSOR-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1I 2248221656 UAWSGARZTAFVPG-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2263516563 DVVSJDUOSZRHEX-OAQYLSRUSA-N 525.078 7.469 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(Br)cc2Cl)c1Br 2267747801 AKKFWCVCQHGWNX-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1Cl 2288496623 JKHZKZSYNCZLCI-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 2295360286 OMCCAGBADULUQA-UHFFFAOYSA-N 533.415 6.468 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647882 WAVACAJKJPHJNN-UHFFFAOYSA-N 735.341 5.809 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)c2C)cc1 2297486628 PHMOAVOUCUYOIX-IBGZPJMESA-N 508.521 5.816 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593128 HWUGKKJENZQXRR-HFJWLAOPSA-N 600.062 7.061 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314618653 RAQCWSYICFAKEY-UHFFFAOYSA-N 595.634 6.445 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314640624 DXLNPTZEQWUTTH-UMSFTDKQSA-N 574.652 7.539 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314640747 VIXQFKNEPVRYDF-LJAQVGFWSA-N 515.009 6.746 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1Br 2331044428 HFCVZIZYAUIXOH-UHFFFAOYSA-N 554.485 7.309 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1OC 2331299169 CCIKZZIPZDCQSM-SFHVURJKSA-N 510.015 5.365 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(Br)c1OC 2331320468 RSLDESIGYFROIU-UHFFFAOYSA-N 501.377 6.543 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C(C)C 2331353881 HVCJZZSAKXDWBO-UHFFFAOYSA-N 501.608 6.205 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1C 2331362283 RPEDYWPNAWFVHK-AWEZNQCLSA-N 519.848 7.112 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 2331474702 DPNYMTSLRQMZMY-UHFFFAOYSA-N 500.067 7.871 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(I)ccc1Br 2338021554 QROXGWJHEHNCTC-CQSZACIVSA-N 578.933 7.315 50 10 KKGE Clc1ccc(CO[C@@H]2CCCCCC[C@H]2I)c(I)c1 2340101704 YXAXLZGSNKOVKM-UKRRQHHQSA-N 504.577 5.988 50 10 KKGE CC(C)[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349777843 FQUWFIGWHWABSF-HZSPNIEDSA-N 500.056 6.432 50 10 KKGE Cc1cccc([C@@H](CI)OCc2cc(Br)cc(Br)c2)c1 2362248571 SEQKHCRVAKLPQP-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE Clc1ccc(I)cc1CO[C@@H](CBr)c1ccc(Br)cc1 2380345810 FULJLZTUGUHQNP-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974882 MVUQHTACTRIAPI-CPNJWEJPSA-N 535.578 5.761 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38649708 HVBCFSOROZPVIG-DEOSSOPVSA-N 503.396 6.184 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38681042 JWMFESSTGGUWAQ-MUUNZHRXSA-N 512.562 5.079 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 38700762 HLKHREMORQVIOY-HHHXNRCGSA-N 508.530 5.409 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 59303867 SUWZQZUMCJTKOS-OPEKNORGSA-N 515.751 5.928 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Br)cc1Nc1nccc(-c2cccnc2)n1 91351708 TWUVKLDKKGUGKU-DEDYPNTBSA-N 511.383 5.899 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034372 VPQMUGFSIRQQLM-XQNSMLJCSA-N 555.615 7.151 50 10 KKGE CNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101240561 GKWWUXQQOLDOGR-SEDGDDRASA-N 507.965 5.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101340707 XVWBGWJIHDZSSY-MFKUBSTISA-N 549.974 5.893 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 101374701 YAXDEKAEHNNMDL-JGCGQSQUSA-N 556.659 6.474 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101375503 ZEFZJFCYKHKCLE-JGCGQSQUSA-N 605.131 7.517 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 101375555 KQERGKJWKIMASQ-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1 101377850 HUXNSGSUVQEDPL-VBOYYZRISA-N 564.726 8.170 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 101379888 LCVRLXQXYCPQGC-GDLZYMKVSA-N 621.904 8.062 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101381029 NPJGOZPECYSSQJ-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399754 MLYHSMVEZJMHRU-YTTGMZPUSA-N 625.052 7.949 50 10 KKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101450836 WRLRREQEBCNYFD-UHFFFAOYSA-N 532.222 5.119 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccc(C)cc1 101712236 ARKOVNREKJARRB-UVHMKAGCSA-N 562.258 5.637 50 10 KKGE COc1cc(/C=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 102011453 ZGKKUVVLZRPGPO-YXFLLPNFSA-N 586.501 5.023 50 10 KKGE C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 102665523 BZTGLKAYNPXDMM-FNWMBBJUSA-N 500.407 6.084 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccccc2)N(c2ccc(Br)cc2)C1=O 103742106 TUZLPCZVLVTCOP-BSSRNLCFSA-N 532.463 5.500 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 150382760 KKBRJKBPONFXPA-MGCJZSHXSA-N 627.704 6.250 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 150442369 FJDBIPTWSDDRNX-DNJOOXRZSA-N 650.688 5.303 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463309 RQVQVFWXPWRUDH-YTTGMZPUSA-N 655.534 8.690 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150471266 FIDLDJFFCATRGR-MUUNZHRXSA-N 622.302 7.772 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150481534 YEMCNWMNIKPVFU-QFIPXVFZSA-N 656.777 8.725 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1 164650513 XEGAXRLKPQKYDM-KVSWJAHQSA-N 621.123 7.372 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)c(C)c1 214240984 GASBYUZJVXUNLE-BRPDVVIDSA-N 534.660 6.585 50 10 KKGE O=[N+]([O-])c1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1 232476644 TXRXKLFFWRJTTA-CYBMUJFWSA-N 510.951 5.641 50 10 KKGE Clc1sc([C@H](Cl)c2cc(Br)ccc2I)cc1Br 236030200 MZHKBRUIZONYCN-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE O=C(NN=Cc1cc(Br)c(I)o1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 252642889 ZQKHBYNWPBMKLI-YHUIMATHSA-N 590.215 5.124 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254382351 ABLAIYCUKAAJCV-UHFFFAOYSA-N 558.664 5.781 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)sc2c1CCCC2 254395842 ABDUDRMIWQORIJ-UHFFFAOYSA-N 569.639 5.265 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)n2-c2ccccc2)cc1 254466730 FXRQJRILIPDTBJ-BJPIWKAISA-N 574.548 6.862 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2OC)cc1 263621916 SEIWHIZDZTWVPT-LJQANCHMSA-N 621.712 5.155 50 10 KKGE C/C(=C/C[C@H](O)/C(C)=C\c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 306146447 IDHLZOWJDYQQSB-GZCSEQAOSA-N 738.237 10.845 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)(C)C)C(C)(C)C)cc1 616587250 POAWZRMUCRRNOS-UHEVPUMTSA-N 848.027 8.673 50 10 KKGE CCCOc1ccc([C@H](Cl)c2scc(Br)c2Br)cc1Br 707833437 DJCGFHYOMXQEOY-ZDUSSCGKSA-N 503.481 7.153 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(Br)c(O)c(Br)c1 1083873423 QLIDOEPCDQYRGN-UHFFFAOYSA-N 574.276 5.458 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1083891108 YHNVGSCPWHMPAR-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 1083955970 GFYWMVLYHSJLHQ-UHFFFAOYSA-N 653.466 6.085 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 1083962430 BADHSVNUCZWJPU-UHFFFAOYSA-N 500.986 5.415 50 10 KKGE O=C(NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1083997424 RKJGGTJCZUUDOA-UHFFFAOYSA-N 509.609 6.983 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc2ccccc12 1083997427 SOIBKELSOWGRGZ-FYJGNVAPSA-N 551.857 8.323 50 10 KKGE O=[N+]([O-])c1cccc(N=NN(c2cccc([N+](=O)[O-])c2)[C@@H](Br)C(Br)Br)c1 1084168356 STGYDHWAXBZDQE-CQSZACIVSA-N 551.977 5.845 50 10 KKGE CCOc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720834 ZDIKBWTXDHJAKE-UHFFFAOYSA-N 844.871 5.745 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2)c1cccc(C)c1 1772748829 GMSUIZJNXSZABB-UHFFFAOYSA-N 521.433 5.553 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 1772754743 SBPCCHXMQSYPQU-UHFFFAOYSA-N 500.982 6.124 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC 1772755285 ZCUAVXWQFTWJSO-UHFFFAOYSA-N 526.865 5.486 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 1848433391 LGYWRDLXHKTNGB-ZQJOXCKDSA-N 992.494 9.320 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H]1O 1848434938 ZGCNMHQDCCSXMS-XFWCUMLZSA-N 663.406 6.422 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865690640 XSTJFXMPYPJJEV-DEOSSOPVSA-N 500.961 6.008 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865692412 FNALYAPIHKFQDV-LJQANCHMSA-N 502.468 5.105 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865694334 TXPWGIJWSRYYNH-MUUNZHRXSA-N 524.596 5.829 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865697071 WECHIGNGWNAIFI-LJAQVGFWSA-N 569.105 7.438 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703201 PPACSKZQDUUBOY-WJOKGBTCSA-N 538.651 7.012 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865711719 GNBJIASLZTXBEE-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)c1 1872749980 QRUDJLQRUZKDMT-FLFQWRMESA-N 514.072 6.205 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1C(C)C 1872753653 HVCJZZSAKXDWBO-LVWGJNHUSA-N 501.608 6.205 50 10 KKGE CCc1nn(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1Br 1877187054 YNKLMIGHPDUCKE-VIFPVBQESA-N 535.925 6.124 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCc3ccccc3C2)c1Br 1924601490 XWKKPGZTVYBSKE-ZYHUDNBSSA-N 543.944 7.277 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CCC2)c1Br 1995046810 BHDWAMPVNUGOPX-VIFPVBQESA-N 540.713 6.973 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCOC1 2015965096 QUKDQZZCUTUBIJ-GZMMTYOYSA-N 511.899 6.288 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1F 2025779063 CDHPPBMDCXTPAK-PFZYVWIYSA-N 558.703 6.921 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1I 2026217390 KPDRZJLHDQFFNH-HNNXBMFYSA-N 567.059 5.106 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C\[C@H](OCc1ccccc1)[C@@H](F)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1 2065316210 TZQRYKFZAFGBHP-KNMBCNNLSA-N 581.801 7.081 50 10 KKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)C1CC(Br)C1 2076167014 HHCSIBOIJAIFPW-QIMWKCOFSA-N 524.942 6.250 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCCCBr)cc1)Cc1ccccc1 2123248011 UCXMWEDFLVUVKQ-UHFFFAOYSA-N 531.516 5.173 50 10 KKGE Cc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)cc1Cl 2142292942 ZCHQUXABLVHYKS-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CC1(C)CC([C@H](Br)c2c(Br)sc(Br)c2Br)CC(C)(C)C1 2193418755 GKPBEVPWNOCLOA-JTQLQIEISA-N 552.008 8.324 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397438 JIINGEZZTBINFE-NEPJUHHUSA-N 604.747 7.998 50 10 KKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCC2)CCN(C(=O)OC(C)(C)C)CC1 2220635914 FZBCGJUWDUCXDG-UHFFFAOYSA-N 518.537 5.122 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1 2240996742 OVEDROFHDKDAPH-INIZCTEOSA-N 528.453 7.070 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2sc(Br)cc2Br)c1 2263452575 MJJUCWRAPNWMCN-SECBINFHSA-N 582.775 7.477 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC12CCC2 2266132909 ISJGPDHKUIBELT-WPPNPWJKSA-N 536.327 7.597 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1Cl 2268261199 FWNVOWBXKSLBOL-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1I 2269556433 OTFNVJZWALEQHD-CQSZACIVSA-N 607.849 6.151 50 10 KKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 2293199829 MUUGDJAFKBBZOO-UHFFFAOYSA-N 503.624 5.829 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2295482983 MLVWYOKOSHAQGI-UHFFFAOYSA-N 611.098 5.945 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507071 ROEDQMWMNRAZCM-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE CCCOc1c(I)cc(I)cc1C=C(C#N)c1nc2ccccc2[nH]1 2297506023 XHWRYTMZWJZSGD-UHFFFAOYSA-N 555.157 5.625 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297602760 NBJRFADZXIXCDP-PUNKBUFBSA-N 672.642 5.353 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1I 2299501536 OWCAZJMDPUGYBW-QGZVFWFLSA-N 562.043 5.851 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 2313518625 MBAKSSYJHDHTDX-UHFFFAOYSA-N 505.412 5.959 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314487683 HMNXVUOYVUXYHX-UHFFFAOYSA-N 544.873 5.830 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2314500579 PCAPWLRUENMSLN-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314620533 PYUFRUUCZREERQ-UHFFFAOYSA-N 522.967 6.124 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620830 VRBYGTVSZSDFAH-UHFFFAOYSA-N 522.601 5.426 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)o1 2317397002 YDJSYJQBDSRYIP-JTQLQIEISA-N 505.801 6.499 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328824673 QRTMUGLMKKNIEX-QFIPXVFZSA-N 508.446 5.962 50 10 KKGE CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCc4cccc(NCCSCc5ccccc5)c42)CC3)cc(C(C)(C)C)c1 2333242445 KCPKRTWDDWPCHY-XSMLMOGHSA-N 794.186 13.159 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2336048249 SKJHAWXJXAOYLP-NRFANRHFSA-N 559.523 8.076 50 10 KKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)c(Br)c1 2364336124 MJHKOHLCUFGKES-UHFFFAOYSA-N 530.884 5.239 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cnn(C)c2Br)c1Br 2365233712 VGSFWOQNAARQFG-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(Br)c1 14832314 VPYOWXOUIOOPDP-GOSISDBHSA-N 511.416 5.235 50 10 KKGE CCO[C@@H](CN1CCN(C(=O)c2ccccc2SSc2ccccc2C(=O)N2CCN(C[C@H](OCC)c3ccccc3)CC2)CC1)c1ccccc1 29479450 PGPIBOORMOZQCX-UWXQCODUSA-N 739.020 7.557 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C 29493044 FALXMEIRWPSPSF-HFTWOUSFSA-N 624.676 6.601 50 10 KKGE CC(C)C(=O)N1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 37441728 UAVMGRQCYDAPCA-ROMGYVFFSA-N 511.022 5.093 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38685231 VZMOIPGOSFZZOO-ACSYHNTCSA-N 512.606 6.019 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCCC)cc3)ccc21 38686112 GJKLNHRKCAJARW-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(C)cc1 38686903 OBWYIDZLSRMDDI-LJAQVGFWSA-N 522.557 6.003 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(Br)c1O 40911879 VHQKNCSQEDXTLZ-LQKURTRISA-N 511.416 5.408 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1 58892545 IUFGFANSHOORBR-HGNFKBFPSA-N 517.423 6.145 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 100122017 RYNOLKOEBSOOGR-LLQGPRFRSA-N 560.492 6.400 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 100210326 WZZDKHIKIFNFCT-UHFFFAOYSA-N 607.137 5.185 50 10 KKGE CC(C)COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100848691 DBCWAERWKBKHEN-ORYQWCPZSA-N 580.155 6.124 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034241 ZAVYEDYAEGIVKR-GZTJUZNOSA-N 541.415 8.701 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 101115825 PEAWSJSHEFSXTM-UVTDQMKNSA-N 545.304 6.358 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101334410 PUJOCYARPAKKIT-WTFDWONZSA-N 508.622 6.026 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101336517 TUAYNSUDISLUTK-FDAWAROLSA-N 612.089 6.959 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101383103 QMEKSYABNIQHOL-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387040 KVBLTGMZJGVDIN-JGCGQSQUSA-N 566.585 5.924 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387414 SOSYCFBYVWNZCK-SSEXGKCCSA-N 587.459 7.327 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389390 XYVBYMKCYOEPJB-DOABURPNSA-N 576.624 6.949 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1 101392930 INBUIHXWAHJQSF-XIFFEERXSA-N 586.644 7.383 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)oc2cc(Br)ccc12 101393802 CBOIHDJSJODQRO-LJAQVGFWSA-N 593.433 7.733 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)c(C)c2cc1C 101394053 NDXXREITMXHWQW-RUZDIDTESA-N 529.390 6.558 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 101698239 HTUJJAMLDBXGKV-OTRQQGLZSA-N 546.063 7.999 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1F 101727600 QMSZGNFQQRAMFI-AMVVHIIESA-N 556.084 6.823 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 102835469 SOTVBSLWGCEMDW-OFWBYEQRSA-N 525.674 7.145 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C(C)=O)c1C 103642923 BWPRMVIKTMTPLL-XNTDXEJSSA-N 516.442 6.298 50 10 KKGE CC(C)(C)C(=O)N[C@@H](Sc1ccnc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)Cl)n1)C(Cl)(Cl)Cl 106878249 BYJALRPWNAEGQU-RISCZKNCSA-N 570.823 5.812 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(NP(=O)(/C=C(/Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1 109409248 YOZBKOHEDWOGML-GRVWLBGYSA-N 537.383 8.321 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497352 GMDUWXDPLQTVMT-HPFKMPKOSA-N 639.539 7.196 50 10 KKGE COc1cc(/C=C\c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2O[Si](C)(C)C(C)(C)C)cc(OC)c1OC 195368358 RIQSNCUTZNZOQE-NXVVXOECSA-N 560.880 8.659 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 205665597 DGROUUQZZLLTGF-NHCFQYFNSA-N 528.608 6.719 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214338276 UPUXVCSIDYUZEA-BHCCCVBWSA-N 608.673 7.611 50 10 KKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 235818364 JNVFTEYRWJOQFC-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)sc2Br)cc1Br 236044279 MSIBYWMSLMVMMS-SSDOTTSWSA-N 530.326 7.235 50 10 KKGE Clc1ccccc1C[C@H](Br)c1cc(Br)ccc1I 236044297 ODGNRXDVQPWVGX-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE O=C(COc1cccc2ccccc12)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 245265317 FXEMOPKXJQOCFV-IPIUNZIKSA-N 502.014 5.438 50 10 KKGE CCOC(=O)c1nn(-c2cccc(Cl)c2)/c(=N/CCSSCC/N=c2\sc(C(=O)OCC)nn2-c2cccc(Cl)c2)s1 253574793 TVUOYCHYALBLOD-IDDWGTJGSA-N 685.706 5.724 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 254513087 YGWUTADIQLQPLD-UHFFFAOYSA-N 512.635 5.159 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2OCc2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 254737075 XGDGNGVODPKAML-UHFFFAOYSA-N 570.601 6.468 50 10 KKGE Cc1c(Br)cc(C(C)C)c(OCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c1Br 254853989 FLMAOXACNHSHPL-UHFFFAOYSA-N 720.876 7.166 50 10 KKGE ClCc1cc(Br)c(OCc2cc(Cl)ccc2I)c(Br)c1 405297525 LMUKHDSRUVVGPO-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE CC1(C)O[C@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]32C)CN1C(=O)CI 504340210 AHMCITDLGPUKFA-NWTKVHGZSA-N 525.471 5.287 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 725384029 YRZREHURXVRRNP-UHFFFAOYSA-N 576.889 6.248 50 10 KKGE CC(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 888085549 OWFNMTWXOYSODL-MNNXNILWSA-N 639.053 10.152 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083816742 MHNHIGWCUNOEFZ-AUURQCAXSA-N 578.822 7.136 50 10 KKGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)S(C)(=O)=O 1083891186 HWDKPACKVUPCRB-UHFFFAOYSA-N 536.053 5.297 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084191825 LGYLORKEYXYSAZ-ZFASCNIYSA-N 527.690 6.551 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1 1084316479 HQKZAKQRLLNGDN-UDWIEESQSA-N 572.830 6.776 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084399837 KHJOLNINENMDIH-HXUWFJFHSA-N 565.099 5.841 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1 1084470615 IQGAMIKWMRGPLB-UHFFFAOYSA-N 689.981 8.452 50 10 KKGE COC(=O)C1=C(C)C(/C(C)=C/C#N)=S=C1N=Cc1ccc(C=Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)cc1 1084593492 RDGOEDVBMMITKZ-HXAWSRCESA-N 570.696 5.948 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@@H](C)O1 1554269036 YRMXEMKFPHHWGW-UKOZYYBESA-N 623.156 5.329 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1565517497 DHMKZZWKQRHQLZ-UHFFFAOYSA-N 651.713 6.091 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772748484 QTPNQFSPVRYPSW-UHFFFAOYSA-N 528.436 6.796 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C 1857624844 YWOCDRCHNHTNKI-YQGQWKLASA-N 567.836 10.237 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689258 NYIQVZSSFHPSQP-HSZRJFAPSA-N 500.942 5.134 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689856 FFHZKGCYYDSVBW-DEOSSOPVSA-N 516.523 6.056 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OCC 1865690840 CLRUSOCYWQYAET-MUUNZHRXSA-N 514.670 6.378 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865692992 QLEUKKHDCCWUOG-QFIPXVFZSA-N 557.876 5.925 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Br)cc1 1865693135 MCPZCYHCXWMQBJ-XMMPIXPASA-N 573.447 5.936 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865695856 IKVMQTFXMFUUKM-DEOSSOPVSA-N 537.458 5.993 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701517 XFNHNMNMRFCRKV-VWLOTQADSA-N 537.834 6.938 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865702853 GRASBUQGMWDACW-SANMLTNESA-N 510.569 5.753 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703859 HDWCHHONEOXURA-SANMLTNESA-N 517.416 6.344 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865705133 NCJJTZWHUSBZSV-SSEXGKCCSA-N 568.633 6.353 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)n1 1868301108 KTZVUTDZDCSUEM-UHFFFAOYSA-N 570.722 7.888 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)n2)c1 1868505023 CGMVQNIYTYWZEV-JGCGQSQUSA-N 559.670 7.760 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc4[C@H]3c3ccccc3)n2)c1 1868506053 PRIDITOPTWGTEY-MGBGTMOVSA-N 569.734 8.356 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccccc2OCc2ccccc2)s1 1900924222 INHLRDHVEUAZJW-KRWDZBQOSA-N 519.629 7.069 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1COc2ccccc2O1 1923071784 KUFDSZFXPVXWBK-WCBMZHEXSA-N 503.437 6.203 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924594983 RSUUMDDZZPNYOP-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)cc(Br)c1 1950209115 YLNCWOFEJOOBKH-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Clc1cc(CN(Cc2ccccc2)C2(CBr)CCC2)ccc1I 1995479767 SQTDLNHFYWMKHU-UHFFFAOYSA-N 504.637 6.264 50 10 KKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 2003229572 BSMSPTPOFURSKC-LHLIQPBNSA-N 519.869 6.948 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccccc1C 2053614219 HJNUCPIEPHLISK-UHFFFAOYSA-N 640.827 7.795 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1ccccc1Cl 2053623132 GOTWBKOUXWLLMT-UHFFFAOYSA-N 682.696 7.139 50 10 KKGE CC[C@H](C)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[Si]1(O[C@H](C)CC)O[Si@@](O[C@@H](C)CC)(O[C@H](C)CC)O[Si@@](O[C@@H](C)CC)(O[C@H](C)CC)O1 2080372304 PKVIDEYDHZFSAJ-ZRINPZHVSA-N 761.260 8.330 50 10 KKGE Cc1nc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Br)s1 2083337028 GWPHXXLAMLBYMW-JTQLQIEISA-N 518.894 6.532 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1csc(Br)c1 2084089360 GLLGIWDLDDIQEA-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE FC(F)(F)CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496637 XJMFMLCPHKJVBE-BYPYZUCNSA-N 582.672 7.515 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1ccc(I)c(Br)c1 2104776839 ONTVGBQKEZSRPS-JTQLQIEISA-N 534.844 7.039 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3nsnc3c2)c1Br 2120653092 YAYPIOWNHSFIOF-QMMMGPOBSA-N 547.917 6.525 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141471248 PKTUNWAREQCKMC-VIFPVBQESA-N 594.683 7.515 50 10 KKGE COC1CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471916 XSVJCTQSAYYVFX-HNQUHTCLSA-N 540.315 6.832 50 10 KKGE Fc1c(Cl)cccc1C[C@H](Br)c1ccc(Br)cc1I 2142283918 WFTBUEYQOGKYKE-NSHDSACASA-N 518.389 6.525 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@H](Br)c2cc(Br)sc2Br)c1 2200838643 WRTVTBNMRPNXNK-JTQLQIEISA-N 513.398 7.430 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2202997330 JMZFEYDFHVHLKU-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCCC2)C1 2206397687 LWIGOSLANHSGLV-CQSZACIVSA-N 550.354 7.987 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206409648 RSTDFEDQHIMUGN-CQSZACIVSA-N 611.191 8.136 50 10 KKGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCCC[C@H]1Br 2207272817 PNXBKNISRLOJEY-TZMCWYRMSA-N 515.027 5.222 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1 2232221736 CKEMVFCZWCUQFU-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 2235611720 XUWYOEXLKCHVRA-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2sc(C)c(Br)c2C)c(C)c1Br 2235614469 IFUVUIHXALPLEL-CQSZACIVSA-N 501.509 7.597 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1sc(Br)c(C)c1Br 2270959073 GSMOOVRRYNELRI-NSHDSACASA-N 507.900 7.681 50 10 KKGE CCc1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2277891603 JJIBKCGWDDMIHT-GFCCVEGCSA-N 531.933 7.277 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 2295523564 POVXLGKOLYYAMA-UHFFFAOYSA-N 576.653 5.292 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296879511 VHBOBNLFVKQALY-UHFFFAOYSA-N 552.759 7.328 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)NN=Cc2ccc(OC(=O)C=Cc3ccco3)cc2)c(Br)c1 2297451539 JQIJEJQSDAMXRW-UHFFFAOYSA-N 660.403 7.666 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458717 ZEHCMHPRDWGWQS-QFIPXVFZSA-N 539.400 5.967 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313630743 GDWJNMLPJZHPCK-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE Fc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1I 2314454337 FVANVWYIVCNFOU-LJQANCHMSA-N 531.590 7.100 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2314531399 AJSBQKGBOQUWRZ-UHFFFAOYSA-N 533.415 6.637 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591654 AOGRJVGOWOGKDW-AREMUKBSSA-N 550.511 7.490 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314616500 CCMUVMODHZSKCC-UHFFFAOYSA-N 512.993 6.029 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Br 2314616571 DWJNAMCTGPFQRC-UHFFFAOYSA-N 557.448 5.845 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314617500 ZIJKAWAATNWHLB-UHFFFAOYSA-N 586.692 6.765 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314618837 VEYQYKWQSYFVSI-UHFFFAOYSA-N 607.110 6.791 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 2314634350 GRWUHFKZMPPUFX-SANMLTNESA-N 553.398 5.856 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634600 MZIWKCVXMSQSCR-LJAQVGFWSA-N 531.008 6.364 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 2314643140 DSROXESRPMPSGK-UUWRZZSWSA-N 592.623 6.649 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OC(C)C 2314646551 BLOMOMISAILZGM-LJAQVGFWSA-N 632.742 5.552 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1-c1ccccc1 2314759975 BQFHLAMHJIKHSY-UHFFFAOYSA-N 522.557 5.553 50 10 KKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 2314777805 VUZFGDGFLDXDMN-UHFFFAOYSA-N 532.662 6.074 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1C 2331259210 AXAMOHJFIOYRST-UHFFFAOYSA-N 507.571 5.873 50 10 KKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331259676 LDJCNWNJTVACRS-UHFFFAOYSA-N 503.421 7.187 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)c(C)c5)cs4)cc3C2=O)c(C)c1 2331320418 LNDBTHQUOVRIMW-UHFFFAOYSA-N 509.562 6.625 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(I)c(Br)c1 2365225139 GLBGNCSGDAHYJD-ZDUSSCGKSA-N 597.285 7.354 50 10 KKGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CC12CCCC2 2377311993 ATVKNYYZBFVNGP-ZDUSSCGKSA-N 513.055 5.441 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 33922136 LHOZSCXKPPNZJJ-KAMYIIQDSA-N 515.418 6.916 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)ccc1Cl 38655484 LPSRFTBICHZMES-DEOSSOPVSA-N 515.780 6.158 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679879 HOPMCJOJLMYRRP-VWLOTQADSA-N 523.416 6.493 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)c(Cl)c(C)c1Br 40950777 BWRJQWWRWXVERD-NUGSKGIGSA-N 518.633 5.410 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 59291884 KTXHEIZRWNUOHW-NDENLUEZSA-N 514.379 5.404 50 10 KKGE Cc1c(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c2ccccc2n1C 59302839 IWPSDFOCUYVBIB-QCFMCPCVSA-N 508.625 7.375 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@@H]2Br 100921804 PMEXWVHQXUWDBY-RLCCDNCMSA-N 548.035 6.330 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242073 GUWDGITZISDICP-VHAPMWFVSA-N 526.445 5.891 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242220 QLTQBMQRUBQADU-FYAMCCBRSA-N 540.472 6.452 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101338131 OZUCWMXIHSHYED-OVVQPSECSA-N 563.057 6.426 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101369073 HLXYBFPQKXJKLN-QMTYFTJSSA-N 549.421 5.611 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385195 ONRHCBYHZFUCDC-YTTGMZPUSA-N 566.585 5.924 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101390616 ZTCVQDFSGDVWNO-QHCPKHFHSA-N 537.424 7.044 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCCC(C)C 101395840 FOFRXDXPMXZLEV-SSEXGKCCSA-N 570.617 7.141 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 101405973 FEMPJJYNKBAVBI-FPJJECCMSA-N 583.449 5.179 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl 101726887 JISODPMBBHSGRQ-CCVNUDIWSA-N 524.067 6.294 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccc3ccccc23)cs1 102462550 YVPMOEGVSGHODX-SDXDJHTJSA-N 515.645 6.197 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 102924582 PWUNBRGMNJJPPD-FOWTUZBSSA-N 530.071 6.942 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741856 BFGHEDJFHVAKMB-XYZDCVNTSA-N 601.353 6.541 50 10 KKGE COc1cc([C@H](Br)c2csc(I)c2)c(OC)cc1Br 134293912 DZWYLHNUODBAAF-CYBMUJFWSA-N 518.008 5.617 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 150422405 BTDHTHPMMUVYSL-UHFFFAOYSA-N 657.384 5.701 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1 163795202 RQKFIHPTBQVRIN-FJEPWZHXSA-N 625.260 7.296 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682219 JWEOPRVXJUYGSP-UKEVNPHNSA-N 549.678 9.359 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 199947327 LAVSLNMQPNHPSL-UMCCLHMTSA-N 697.001 9.876 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 214241406 VGODWMWSFGJQEF-USHMODERSA-N 522.649 6.499 50 10 KKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 214373383 LCLHYCADGQXGDG-KQWNVCNZSA-N 518.610 5.116 50 10 KKGE CCCOc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Br 233253294 INUJDKIBEWCHQA-ZDUSSCGKSA-N 547.932 7.309 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(-c2ccccc2)cc1 254513947 OLDIYNCLDKTCIU-UHFFFAOYSA-N 559.739 7.531 50 10 KKGE Cn1c(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)nnc1-c1ccccc1Br 254558098 FCDWXGKTTZCTFK-UHFFFAOYSA-N 530.451 5.793 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 575232049 CTZMHDJIUFEYKE-MCCOZAMVSA-N 514.911 9.763 50 10 KKGE CCn1c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc2c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc21 642813768 UROHIBOFEQWNNM-UHFFFAOYSA-N 595.619 7.093 50 10 KKGE CSc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc4c(c3)N(CC(=O)NN)C(=O)CO4)n2)cc1 725332162 KZCWUNFHQCBMKB-UHFFFAOYSA-N 531.037 5.173 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 725388694 BOMUZNSRVNWHGG-AREMUKBSSA-N 517.423 6.145 50 10 KKGE COc1ccc(C(=O)NN=Cc2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc23)cc1 1083897025 JPIINCJZZVSXPQ-UHFFFAOYSA-N 509.440 6.332 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccc(F)cc2)c1)c1ccc(OCc2ccc(Br)cc2)cc1 1083965877 RUYLBVIZRSCBDY-UHFFFAOYSA-N 533.397 6.510 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CC(=O)NCCC)c3ccccc32)cc1 1084008987 GXLBIIHWMDHQEQ-UHFFFAOYSA-N 520.674 5.213 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084061206 HIAUHCLBBDBOBW-WJOKGBTCSA-N 534.059 7.429 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084151302 XYAGSACWLJWEBF-XYEMOUPBSA-N 564.154 8.613 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1cccc2ccccc12 1084174091 BMTSOVRJIOYGBZ-UHFFFAOYSA-N 519.395 6.050 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2ccccc2o1 1084215989 APEXYUZSMISQMK-UHFFFAOYSA-N 527.758 5.920 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084236125 RYWBUHVHMFAMES-SSEXGKCCSA-N 577.537 6.939 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084371229 WESKFQWJFQCXSE-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2c(c1)OCO2 1084437676 FFFQKAPNJDAJHM-CAOOACKPSA-N 637.257 6.850 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 1084456325 XMYFZYHLEJJLAP-PGRDOPGGSA-N 506.386 5.532 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1 1084472773 GMVXLXKMDGGRSQ-UHFFFAOYSA-N 579.078 5.030 50 10 KKGE NC(=O)NC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1615945191 VZFFMSRFEDWKOA-GSVOUGTGSA-N 646.079 5.858 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742806 DNRBYWYDPUZKTN-UHFFFAOYSA-N 598.932 6.865 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744979 NVDWCUNGPXCNOS-UHFFFAOYSA-N 531.971 6.896 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772747758 QPGKQRKLTYGLGE-UHFFFAOYSA-N 523.405 5.229 50 10 KKGE O=C(/C=C\CBr)Nc1cc2c(Nc3ccc(F)c(Cl)c3)cccc2cc1O[C@H]1CCOC1 1848435094 GLOAABSCZWJDDR-NCSHICFUSA-N 519.798 6.433 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686387 USFMZKKCFDJWOI-VWLOTQADSA-N 539.422 7.226 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688735 ZLRAFGTWBDKHAJ-NDEPHWFRSA-N 530.584 5.936 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865689083 JKNSYDFPXFNJSO-SANMLTNESA-N 510.569 5.753 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865692628 OBUGSWRQIUEKAB-HSZRJFAPSA-N 575.866 6.201 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865696592 IFMJDZODIBRDBP-HSZRJFAPSA-N 526.559 5.973 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698118 LACWZUGZYPUABI-HSZRJFAPSA-N 571.903 6.314 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cc(Br)ccc1F 1865701834 GLYABAJDZFAPFO-HNNXBMFYSA-N 513.676 5.664 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702325 SQKBMOCJOAIQSO-QHCPKHFHSA-N 565.830 6.380 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1C 1865702964 JNVAFTOLUDJSIY-JGCGQSQUSA-N 542.639 6.838 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703707 ZWISAOUONFDFCM-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704588 ZILXQQAOEMRLRP-AREMUKBSSA-N 527.024 6.419 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711731 GWULRTGYGOOPCA-QHCPKHFHSA-N 562.369 5.744 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1868278166 VERHHBDBLIHYLF-GDLZYMKVSA-N 507.619 6.237 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c1 1872743985 BXIDHIKYULIMAD-IZBSJOHUSA-N 501.007 7.557 50 10 KKGE O=S(=O)(c1c(Cl)cccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915169839 LIIUALGPFCIPFF-QGZVFWFLSA-N 507.675 5.467 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2sc(Br)cc2Br)c1 1922943955 WWOJAMPHTAICHL-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Cc1csc([C@@H](Br)c2sc(Br)c(C)c2Br)c1Br 1950882857 XGCWJIUVSSAJCL-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]12 1951245291 HVOWWFINYLJFLV-HNQRLQTDSA-N 509.883 5.897 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2(Br)CCC2)c1Br 2025779846 MIOBBRMQYVYNOW-SNVBAGLBSA-N 619.609 7.490 50 10 KKGE CC(C)(C1CC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500446 NVPVNDXOMXVFCS-GFCCVEGCSA-N 568.767 7.609 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CC2(CCCCC2)CO1 2166259612 CQXNSDAFEGEYTL-SCZZXKLOSA-N 507.513 7.102 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397407 JBEZXQOSJQGZAZ-CYBMUJFWSA-N 662.154 7.809 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1C1CCCC1 2206398202 RZEMHACWSNKFCO-QQXLSSBLSA-N 550.354 7.843 50 10 KKGE CCO[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398343 UIMXHSVJAXZXDH-GIHMMQTOSA-N 554.342 7.222 50 10 KKGE Brc1ccc([C@H](Br)c2cccc3ccccc23)c(I)c1 2207273374 UIBDZBGPPNJVES-QGZVFWFLSA-N 501.987 6.691 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)c(C)c1Cl 2224305648 URIWMBYBDSLDTA-LLVKDONJSA-N 552.351 7.790 50 10 KKGE Fc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Br 2236117962 OXEHBMWRHZLBNW-LBPRGKRZSA-N 540.342 6.562 50 10 KKGE CCc1cc([C@@H](Br)c2scc(Br)c2Br)sc1Br 2248056968 KQLNEJZUXKGNOQ-SECBINFHSA-N 523.935 7.144 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cccc2I)c1C 2255902321 QLASLBGCQREDCR-NSHDSACASA-N 504.000 6.355 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1Br 2272738667 IGYUDIWIFKLXJX-NSHDSACASA-N 519.803 6.737 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288490716 KABMKBHUCXJWAA-ZDUSSCGKSA-N 536.379 6.731 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)c(Br)s1 2295262212 GPNBNGUPYFIBCJ-LLVKDONJSA-N 568.350 7.490 50 10 KKGE C[C@@H]1CC(=Cc2ccccc2Br)C2=C(C1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504925 WSRKTDJYRJVWBN-PEBXRYMYSA-N 512.245 6.787 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1sc(Cl)cc1I 2300954578 ZVCPLIHICDQIHC-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592551 XIACHIHIDFHIIH-DEOSSOPVSA-N 521.564 6.387 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314611537 WOVNOGQUCGVGMW-UHFFFAOYSA-N 508.622 5.885 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1OC 2314634534 GWEVNUWTDRBGEY-VWLOTQADSA-N 523.372 5.848 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 2314640642 GTBLSTXKOQVHTH-MGBGTMOVSA-N 544.607 6.420 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1cccc(Br)c1 2316834985 XJZCKDZAILBWJZ-VIFPVBQESA-N 501.842 5.386 50 10 KKGE Cc1nn(C)c(C)c1C=NNC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 2321698246 XJYGAENQXPWJPZ-OAQYLSRUSA-N 503.647 5.454 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)c(F)c5)cs4)cc3C2=O)c1C 2331351566 FSVSUDVONCHMQO-UHFFFAOYSA-N 513.525 6.456 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336082722 COWLBEGFUATAIA-HXUWFJFHSA-N 519.035 7.911 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(F)cccc1I 2338023451 HJOKCHGBAWLNJW-CQSZACIVSA-N 518.027 6.691 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2338693729 OJQUJGGHTWBOLU-QMMMGPOBSA-N 549.933 6.468 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2340066616 SNGUGHVBHWAMQM-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2sc(Br)c(C)c2Br)c(Cl)c1 2353073641 GNFBTOMUFAAYDK-LLVKDONJSA-N 507.900 7.681 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426073 IJBVJJPRNFJXAR-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COCc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2368081595 HGRJMUWWFYZUAK-NSHDSACASA-N 507.444 6.696 50 10 KKGE Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1cc(Cl)ccc1Cl 20344673 DDIDIRIVRBTKBH-QFQXNSOFSA-N 519.501 7.496 50 10 KKGE CC[C@H](Cl)C(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 25160625 XJKWMXUTCOLPKY-NBGIEHNGSA-N 516.947 6.947 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCCC)ccc21 38686209 OKGCKBNGYRPESE-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(F)cc1 38688028 RONLQTGJDPTROA-HXUWFJFHSA-N 511.361 6.785 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1-c1ccccc1 40935955 BQFHLAMHJIKHSY-JJIBRWJFSA-N 522.557 5.553 50 10 KKGE Cl[C@@H]1C[C@@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCCC2 97646536 OFEFWHWCLQQOTE-ZIAGYGMSSA-N 501.484 7.073 50 10 KKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1 97915113 VUYIECAVJCFEGJ-YTMVLYRLSA-N 511.106 6.501 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 100078167 XHZABWUZHRKXHM-UHFFFAOYSA-N 516.859 5.356 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)cc1 100235690 QAGWAYXGVVTCKW-WUKQQSQZSA-N 569.496 6.098 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 100241067 MIRAZKVBHKWRRH-UHFFFAOYSA-N 543.476 5.493 50 10 KKGE COc1ccc(OC)c(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 100331375 XYHKUIWMPFDPNW-SDNWHVSQSA-N 510.369 5.673 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(I)cn1)[C@@H]2Br 100922106 VEVZMXUHVGMRRW-ONERCXAPSA-N 606.922 5.311 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241095 BSMONNJYUJEHKD-FYAMCCBRSA-N 504.011 5.091 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243384 YBDBRYCWRSIXNR-DRVTYQMKSA-N 564.538 7.420 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101338677 QDDXYUPJUWROQL-QXGKLVPHSA-N 609.752 5.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(Br)cc1 101363915 BKQGBXFRJOBTQS-KRWDZBQOSA-N 567.264 5.347 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 101364498 YBEVDATVKSQHNJ-QFIPXVFZSA-N 526.332 5.738 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101368219 NIXGSRHZKUSQRY-MHZLTWQESA-N 563.448 6.320 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384766 OUUALWGWKBALEU-HKBQPEDESA-N 587.459 7.083 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388095 WEDSUFHIIGZBPN-JGCGQSQUSA-N 583.040 6.520 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccccc1F 101388871 NXSFAODWZHJBSU-XIFFEERXSA-N 596.611 6.015 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 101391807 OBHXOHWDYKXXRT-XMMPIXPASA-N 554.386 6.518 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 101397212 OQIGJMJIOMZJQQ-YTTGMZPUSA-N 564.682 8.090 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596313 BRJIEIJFGTWCKO-NDZAJKAJSA-N 536.357 5.727 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615212 NBXIOYLAVFVJME-ROPCREHHSA-N 530.400 5.378 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OCc1ccc(Br)cc1 102932772 WVPAUQBPZTWDDR-LICLKQGHSA-N 524.327 5.196 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 103877172 VYDLLFDOHLRSPV-QXUDOOCXSA-N 609.480 7.466 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl 104769445 ZQNNXVAVTAFMRE-XBQJKBNESA-N 610.183 7.308 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105050590 KYLCQSGEZYRKLT-KPGMTVGESA-N 598.280 7.318 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 105590272 SQBJPEHXOGAYHV-DXRBVMPTSA-N 612.497 5.171 50 10 KKGE Brc1cc(Br)c(O[C@@H]2C[C@H](Br)C23CCCCC3)c(Br)c1 117316389 YFMWMTKCBFQBCB-QWHCGFSZSA-N 531.908 6.839 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 150432199 FTLKUTILKQKTBC-APTYXWLQSA-N 728.365 6.236 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 150442909 XUUIFNNLNRQZDE-YTTGMZPUSA-N 645.481 6.768 50 10 KKGE N#Cc1c(SSc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c2C#N)nc(-c2ccccc2)c(C#N)c1-c1ccccc1 196735835 LQKBOAIBKUZEGT-UHFFFAOYSA-N 624.754 9.431 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214429495 AKWBGSNWEKITKV-RHANQZHGSA-N 566.658 5.428 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 234805061 QETUTESAFNUZIG-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE CCOC(=O)c1cccc(-c2ccc(C=NNC(=O)N/N=C/c3ccc(-c4cccc(C(=O)OCC)c4)o3)o2)c1 239165149 NOJQNWCSLKGKDJ-UHFFFAOYSA-N 542.548 5.227 50 10 KKGE COc1cc(C=NNC(=O)c2ccncc2)cc(Br)c1OCCCOc1ccc(Cl)cc1 252608154 HHIDLWNJMDXHSH-UHFFFAOYSA-N 518.795 5.118 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 252620974 MQBHFQGJQOKJBD-UHFFFAOYSA-N 530.609 5.976 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nnc2-c2ccccc2)cc1 254379530 CWZUXHXZZWSHES-HHUIMLSUSA-N 504.015 5.417 50 10 KKGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254380199 HOKFMAXWQNJUBO-UHFFFAOYSA-N 523.589 5.036 50 10 KKGE COc1cc(C=NNC(=O)CCCCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254625393 YEDOYOIMHQQSBF-UHFFFAOYSA-N 664.715 5.693 50 10 KKGE CC(C)OC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019735 AVUHLBVPWCLILA-VEXUSMLFSA-N 617.172 6.996 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2sccc2I)c(C)c1Br 381401340 WOSUQALZRZGJPY-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(Br)ccc1I 386076478 BEJUVMPHUGRSCX-CQSZACIVSA-N 515.027 5.127 50 10 KKGE Clc1ccc(I)c(C[C@H](CBr)Cc2ccccc2Br)c1 405330883 GMKCHZXNCQHAFV-LLVKDONJSA-N 528.453 6.503 50 10 KKGE C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3CC[C@@H]3C(Cl)(Cl)[C@H](Cl)CC[C@@]31C)[C@@]2(C)O 504182165 ODWXWMUBXIPATR-UKVZGABLSA-N 502.998 6.738 50 10 KKGE biogenic COCc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)s1 705473477 ADXRXBOOFBCCTP-VIFPVBQESA-N 539.934 6.728 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 725433956 CVRIRVUWMPTBFS-DEOSSOPVSA-N 545.861 6.044 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000318 JBHLEOSHZKKTQZ-CLOAYSGLSA-N 693.521 6.391 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084109209 OOJHTGYFASLYEN-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(F)cc1 1084346346 UDYUZFLWTOPYOA-UHFFFAOYSA-N 576.216 6.448 50 10 KKGE O=C(Cn1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21)Nc1ccc(F)cc1 1084423113 JFHKXABDCZKZMH-UHFFFAOYSA-N 533.357 5.692 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 1084454698 NUFKFZDCGIYICG-DEDYPNTBSA-N 508.361 6.755 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084513934 JJIXKBYYZWJNQM-UHFFFAOYSA-N 548.064 5.260 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccccc1Cl 1084568156 JORPZGQOELCCCT-UHFFFAOYSA-N 500.986 5.415 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(OC)cc1 1084597862 ROKHTKMCXFJYNM-AQTBWJFISA-N 511.361 6.166 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084613900 RAJXQUPWNGHCEW-UHFFFAOYSA-N 657.532 6.143 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1 1084632523 STQRIYHFUFRAQP-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 1084636226 YTJMUKHBSNVCCN-DEOSSOPVSA-N 608.302 6.292 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1084655129 TZZFTYQPMUTJFB-UHFFFAOYSA-N 578.834 6.085 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084658109 LRXHGXPGFXRIOX-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE CC1=C(c2ccccc2)SS/C1=C(\C=N\c1ccc(/N=C/C(=C2/C=C(c3ccccc3)SS2)c2ccccc2)cc1)c1ccccc1 1615948809 OIKCWNUHCBWJBE-FONPSJPVSA-N 678.973 13.176 50 10 KKGE C=CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718940 XGIDPZDWGDSXHH-BFUYKGJQSA-N 575.699 5.978 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1857657184 LMCNYCSDWPLKPZ-OSJXPWDQSA-N 505.227 9.203 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685739 MGHNZTIEVIEOHC-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCCc1ccccc1 1865688617 WUEMELLZWQKWDO-VWLOTQADSA-N 564.539 5.938 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865691697 ZCCWEPAVFVTEFX-QHCPKHFHSA-N 523.431 5.326 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865692731 OZYFZKPFQUIYCR-XMMPIXPASA-N 555.448 5.937 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3c(F)cccc3Cl)cc2)cc1 1865693956 SGVKALMLXHJADH-MHZLTWQESA-N 514.988 6.138 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695593 FBZIXHDMJYQUHX-FQEVSTJZSA-N 564.267 5.886 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865695662 FVNAFYMXRPOGBV-NDEPHWFRSA-N 500.643 6.043 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc(Br)c1OC(C)C 1865695936 ARPNPPJBOIGXCP-QFIPXVFZSA-N 527.394 5.155 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCCCc1ccccc1 1865696321 DPANDQPRWSEFLR-LJAQVGFWSA-N 541.051 6.132 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696478 NRBIIDKQTBOACH-HSZRJFAPSA-N 501.384 5.664 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696890 SZBYLWHKQPUHOS-HSZRJFAPSA-N 531.410 5.673 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1F 1865702000 KMHOYGYGSJQZBO-NRFANRHFSA-N 505.322 5.798 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1865703732 DERBPJNTLWPRHI-AREMUKBSSA-N 567.860 6.947 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704286 RVNAMVZNNJDDEU-PMERELPUSA-N 526.640 7.156 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(C)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866127206 OBBJWWBWPLSSLO-QGOAFFKASA-N 509.425 6.381 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)\c2ccccc2)cc1 1872744750 GVPQXVPDOXHDMD-QQKYJPQESA-N 519.453 8.549 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc(OCC)c1OCC 1872758975 ZHRPSOLLILBVBE-NKFKGCMQSA-N 501.004 6.618 50 10 KKGE F[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898078621 PYEPEZVDPWIVFA-DURWCSIBSA-N 500.225 6.375 50 10 KKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915092129 GCRVRKYORDOQDO-CYBMUJFWSA-N 506.609 5.714 50 10 KKGE O=C(c1csc(Br)c1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915264918 UHNGGKDVQVEZGX-CQSZACIVSA-N 522.100 6.089 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922883381 OOJOVTAGARQPQY-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Cn1nc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1Cl 2048146195 HOPNSHGCMGPQET-VKHMYHEASA-N 518.283 6.451 50 10 KKGE Cc1nc([C@H](Br)c2cc(Br)c(C)cc2Br)c(Br)s1 2050332372 YRCHKQIMGDDYGN-SNVBAGLBSA-N 518.894 6.532 50 10 KKGE C[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493565 DCULNXYOKYOUQF-HHSDFAELSA-N 524.316 7.453 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 2137048220 GJNPNUXFCDMWKP-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2142287572 NSNVHHGGPLTBKU-AWEZNQCLSA-N 514.064 6.897 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146617051 VSXFLCLLTNCWPM-SREIQFSDSA-N 501.465 6.687 50 10 KKGE CCCCCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 2197255313 FDJFLJVBWUAREW-INIZCTEOSA-N 528.091 7.332 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)ccc2I)c1Br 2201077694 JLRJBLXBCXLYHC-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(Br)cc1I 2207267476 MGVQYAADUGENRH-JTQLQIEISA-N 517.043 5.231 50 10 KKGE C[C@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234061587 VIQNASKKJLUDNS-GOEBONIOSA-N 511.689 6.068 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1sc(Br)cc1Br 2247988925 AYCIMZSAOHCUMQ-JTQLQIEISA-N 510.391 6.345 50 10 KKGE C[C@](CI)(OC1CCN(Cc2ccccc2)CC1)c1ccccc1Br 2259461775 BMPSFADEOOSZQB-OAQYLSRUSA-N 514.245 5.781 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1cccc2ccccc12 2294146914 BOPBOJCXLFQDHV-UHFFFAOYSA-N 555.472 7.688 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(C(=O)O)cc1 2294155976 VJJWBSPLELMHRB-UHFFFAOYSA-N 551.426 6.943 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccccc1Cl 2294619845 AKIZFAXEXXVCAS-UHFFFAOYSA-N 523.641 8.061 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(I)cc1 2295172664 VDJGKXUVSUDUKY-UHFFFAOYSA-N 530.365 6.569 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1csc(Br)c1Br 2295370904 SVEGXMOCVFXNDI-SNVBAGLBSA-N 568.350 7.490 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2296645004 BMCYSUUQISJJBK-UHFFFAOYSA-N 640.096 6.235 50 10 KKGE CC(=O)Nc1sc(C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)nc1-c1ccc(C)cc1 2296731254 JDKLOZDMIVZVNP-UHFFFAOYSA-N 504.409 7.164 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12 2313570602 AWTPHBHIVJSIAK-UHFFFAOYSA-N 517.412 7.670 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)n(-c2ccccc2)n1C 2314476733 UNVCJDJOCXMPKG-UHFFFAOYSA-N 661.788 5.448 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593285 KUOGOAUYLQQELP-DEOSSOPVSA-N 556.009 6.986 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593426 MUIIKVJLPHCAPR-WINIVTDRSA-N 564.538 7.420 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314594027 XPDCMOUSFRGXTL-NGQVCNFZSA-N 537.729 6.950 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314611048 PEEIQFSLLXEYFL-QHCPKHFHSA-N 542.639 6.509 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314618273 KLQIOZYVQYTSKW-UHFFFAOYSA-N 530.628 6.100 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634205 BHGYCINBQBJJBX-HHHXNRCGSA-N 505.401 6.954 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 2314634443 TVNRZGADJQZXSH-HKBQPEDESA-N 500.554 6.624 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640783 YYBDNPFNKNKUBQ-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OCC)c1 2314735844 GNVMMMIHZLPWOD-UHFFFAOYSA-N 553.203 5.065 50 10 KKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331403939 NFPGPIOTSSSWPD-OAQYLSRUSA-N 512.418 6.620 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 2331451307 PHBPFOCGGFFUGM-UHFFFAOYSA-N 513.413 6.205 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1OCc1cccc(C)c1 2331489855 HURFMKRIKAZCLE-UHFFFAOYSA-N 518.638 7.932 50 10 KKGE FC(F)(F)c1sccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336077906 MASRPJFBCWAHGB-QGZVFWFLSA-N 506.181 7.593 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2sc(Cl)cc2I)c1 2338561961 FZALRACJQUZNOU-ZDUSSCGKSA-N 534.482 7.376 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)cc1Cl 2351640897 GHLJLUIWKGYQPX-MRVPVSSYSA-N 576.732 7.966 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2363844900 VUYSWVJCYVFLFK-JUWDTYFHSA-N 519.402 6.427 50 10 KKGE C[C@@H]1CC2CC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368040863 XXPNUPZPRYPAFX-QJSBWAJCSA-N 596.777 7.130 50 10 KKGE Cc1ccc(CN(Cc2ccc(/C=N/NC(=O)c3c(C)nc4sccn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1 654893 CWTSUUAEIKFOLR-MUFRIFMGSA-N 561.689 5.069 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491620 RQBOAHXEEFRYAJ-QOMWVZHYSA-N 572.669 6.062 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c1 29491700 DQWVGJGNKCLJQU-QLYXXIJNSA-N 597.741 6.294 50 10 KKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 33757316 NDGAXGCCAVSGSO-YBEGLDIGSA-N 504.826 6.805 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 38602923 CLWHWHDVQYWUKT-HYARGMPZSA-N 500.986 5.594 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38684309 LOMGMBBADZZWDV-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCCC)c2)cc1 38685157 WLXNZIKJNWRDHK-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1Cl 38688408 AFRDGCNPNXSTTR-QFIPXVFZSA-N 515.418 6.671 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)c(C)c2c1 38701144 WCKXSEACZIIVLR-LJAQVGFWSA-N 522.601 6.912 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811765 XNTHIAXRIFITHX-TURZUDJPSA-N 514.807 6.035 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc2ccccc2c1 58892134 YAQXRFQRAVRIKB-NKCUHTBRSA-N 508.618 6.120 50 10 KKGE CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C 97657910 SJSNGPPBPYJFKQ-BKUYFWCQSA-N 519.564 6.048 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100225347 LNOOGOBLPPOJTM-XKJRVUDJSA-N 542.297 6.875 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 100231869 VBRYWELXHJDDDE-SLLOZXFSSA-N 529.406 5.530 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 100452241 DWADXXRZZVDLFV-LKHJKXADSA-N 615.149 7.061 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245324 KQZUOTCDQIEAEK-IDJUBOEBSA-N 536.484 6.984 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246064 OMRRPAPAISIMOI-HFVAWESISA-N 560.517 6.946 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101295920 GQDKLIHKPYHBIM-AREMUKBSSA-N 557.400 6.506 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101338519 HWHFYZGBMNSFEH-ZTKZIYFRSA-N 595.725 5.249 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1Cl 101379905 KTWSOEGHZUVQSX-HKBQPEDESA-N 587.459 7.083 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1C 101383388 YSQOGNRZOMCJOW-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387665 AJHNWZAWXCVFBC-WJOKGBTCSA-N 611.492 7.173 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 101388832 YNJMBBOUGQQNTG-SSEXGKCCSA-N 615.455 7.003 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)c(C)c2cc1Cl 101393763 RHCRJBLEAFXTMM-SSEXGKCCSA-N 563.009 7.933 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC 101727499 BGNVKQQRZUIZPJ-OPEKNORGSA-N 554.919 6.266 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1 103878908 SHJLCDSOLCGNEF-VULFUBBASA-N 527.216 6.335 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1I 103880486 KWOWNMNPXGCBRL-XODNFHPESA-N 600.210 6.014 50 10 KKGE BrCC(CBr)(Cc1ccccc1)Cc1ccc(I)cc1 118875627 KMHFQUVVLJXRPA-UHFFFAOYSA-N 508.035 5.853 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411354 XKEMWXLKHVDTSF-OZVJIIIZSA-N 639.531 5.218 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442164 NJOATLLIZGAIAG-WAJJMWJGSA-N 770.792 5.337 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1F 150462656 NBJZADROUHJZRW-HKBQPEDESA-N 655.476 7.668 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 163796239 XDTXGMATGWEAFO-NNLKUIAGSA-N 648.557 7.985 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 163802754 GTOPIPGKCNODJQ-IPBVOBEMSA-N 698.105 6.604 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164629818 GWJLNLQOFQMTGG-IPBVOBEMSA-N 719.086 6.887 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 205665843 CEJBCNNKVBDGJY-BKVLPEFLSA-N 570.689 7.709 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 205671373 QDBMOEQIBVGREI-WBLJOJBLSA-N 592.623 6.649 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 214337981 AJIOVXDMFLZGAI-BHMIZBGDSA-N 542.683 6.694 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2=O)cc1 214399403 KSHXMBPASYXVFI-VEILYXNESA-N 532.575 5.522 50 10 KKGE C=C(C)C(=O)OCCC[Si](O[Si](C)(C)O[Si](C)(C)C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C 225438294 JVZCWIAIYUEMBR-UHFFFAOYSA-N 645.284 7.144 50 10 KKGE Brc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1 232476316 ALXFUKIXTOSHIH-CYBMUJFWSA-N 544.850 6.495 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Br)sc2Br)c1 236031063 QRRZPAZJZUVAKL-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CC(C)=CCC/C(C)=C\C=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 252460615 GTYAFIHSBWZLRY-LKSAIWLHSA-N 508.254 6.538 50 10 KKGE c1ccc([P+](Cc2ccc(N=Nc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1 254294294 UHVBYKZVVYSYLJ-UHFFFAOYSA-N 732.848 11.090 50 10 KKGE Clc1cc(I)c(Oc2cc(Cl)ccc2CBr)c(I)c1 382227493 XKSSJHRNLCXLEJ-UHFFFAOYSA-N 583.816 6.890 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)cc2Br)C1 382714630 JHBLBAXRNLEOCI-PBHICJAKSA-N 518.164 5.375 50 10 KKGE Brc1cccc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1 721572893 NPQJUENQIRJFCK-GFCCVEGCSA-N 544.850 6.495 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2cc(C)cc(C)c2)cc1OC 725430367 KZTLRCJTRMCWBW-UHFFFAOYSA-N 592.693 5.213 50 10 KKGE CCCCCCCCC/C=C/CC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C 888085279 CVLCPTLDBGENCL-SSIFECIESA-N 697.971 10.289 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1083956700 OSEQYXLPEBCHCY-UHFFFAOYSA-N 530.411 6.029 50 10 KKGE CC(=O)Oc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084206280 HPKZQDJOTKFVMF-UHFFFAOYSA-N 530.628 6.549 50 10 KKGE O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1084216056 ZORAXBCTALLKHL-UHFFFAOYSA-N 618.542 7.071 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084320909 QBNDGVHKROITJD-UHFFFAOYSA-N 608.771 7.402 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 1084536097 UJKHBXHLJSKXES-ROUUACIJSA-N 575.628 5.392 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 1084612504 GPMGRHJFVHVUJN-UHFFFAOYSA-N 501.011 6.191 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1865689764 WAPSHJMGZGTESU-HHHXNRCGSA-N 565.432 6.492 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694868 DLDJGDIXVCEWLB-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCCCc1ccccc1 1865695940 ARRIQKIUUXMCIA-GDLZYMKVSA-N 506.606 5.728 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865696367 ZXBAGRXNKLOCOO-DEOSSOPVSA-N 566.967 6.659 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865696760 KBRJZRUHVNGBHA-FQEVSTJZSA-N 515.795 5.222 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865708475 AFKNCQJZLLPXPE-INIZCTEOSA-N 509.271 5.173 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865708478 AFKNCQJZLLPXPE-MRXNPFEDSA-N 509.271 5.173 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129148 FEBCFULFZIKHOT-DEDYPNTBSA-N 523.452 7.023 50 10 KKGE CC[C@@](C)(NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866798642 NQHRATJNZJIWDQ-HSZRJFAPSA-N 502.434 5.299 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868342778 ZLSPPVVBCMDKJY-OAQYLSRUSA-N 522.516 7.065 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)nc(-c3cccnc3)n2)cc1 1868564810 FMBJRFBHWNKDMI-QHCPKHFHSA-N 501.015 6.087 50 10 KKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750288 AIDQZGARQYNFQK-DAFNUICNSA-N 507.527 5.332 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 1872753437 XALLLCKYZXDMSE-CLCOLTQESA-N 517.478 8.425 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 1872754043 ZTCAPUCCDRATOG-GNVQSUKOSA-N 512.631 8.130 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872758179 ONTLRNDHIABADL-BMJXPWMWSA-N 501.608 5.939 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872780514 BMSDHJFEVAXPSL-BUVRLJJBSA-N 519.497 9.103 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)c(Br)s1 1900924818 QMUHMXUTWMYGJJ-MRVPVSSYSA-N 512.457 6.623 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 1923037908 GOCPQFMXKOPHMJ-OAHLLOKOSA-N 507.074 7.834 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924593304 DLZSBUOFUWTQHI-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1c(Br)sc(Br)c1Br 1924602585 ZFNMPOCMHBGQJV-MRXNPFEDSA-N 551.525 7.943 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 1950244421 CJLLGHNYZIFYNM-SVRRBLITSA-N 507.911 7.052 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCOC1 2015965099 QUKDQZZCUTUBIJ-LDYMZIIASA-N 511.899 6.288 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CCCCC2)c1Br 2085495303 PSNULHMUAMZVON-LLVKDONJSA-N 568.767 7.753 50 10 KKGE Cl[C@H](Cc1cccc(Br)c1)c1ccc(Br)cc1I 2086146367 YSXQCMGAOGASKH-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCn3ccnc3C2)c1Br 2108963385 UVADILHLCHSBPR-HZGVNTEJSA-N 533.909 5.931 50 10 KKGE FC1(F)CCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471986 YPLRYRUHRQFIRI-SSDLBLMSSA-N 590.720 7.608 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@]23CCC[C@H]2C3)c1Br 2141474361 ZSOACAHFTVKDHN-LTRYTXMFSA-N 580.778 7.753 50 10 KKGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCCC[C@@H]1Br 2172546123 DLCRRTIGMWVDOJ-GXTWGEPZSA-N 515.027 5.222 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201620793 FDTNALPRKCPDNC-LLVKDONJSA-N 540.342 6.609 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399340 FXJPEVYHIVOESS-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE Clc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206404547 AQDKGUQFVWFGGF-ZDUSSCGKSA-N 587.158 8.372 50 10 KKGE BrC[C@@H](OCCOCCOCCOCc1ccccc1)c1ccc(Br)cc1 2236090180 WQDUZKBEMNWPGD-OAQYLSRUSA-N 502.243 5.152 50 10 KKGE O=C(Nc1ccc(OC[C@H]2C[C@@H](Br)C2)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2248249321 WDJGPLMCSVOYRY-CALCHBBNSA-N 522.395 6.298 50 10 KKGE Cn1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)n1 2263510936 VGVJNDANOSREIM-NSHDSACASA-N 501.842 5.386 50 10 KKGE Cc1sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1C 2277888161 IJZDUECAEXWLEA-LBPRGKRZSA-N 531.933 7.331 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1c(Br)sc(Br)c1Br 2277892661 VOQBJJNEQLLMEU-QMMMGPOBSA-N 617.220 8.083 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283572377 CMCUNKBGIMVOOW-CQSZACIVSA-N 534.388 6.339 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1cccc(Cl)c1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2295934360 JARDOCYNTMQYJZ-HHHXNRCGSA-N 614.554 7.887 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2297456681 KYOMJMPBAWEAKT-DEOSSOPVSA-N 515.566 5.067 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2307417362 KZYOIIZVDQGGMI-CBKRZXNCSA-N 509.883 6.039 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 2313518862 WZJKXUIZWFSUHR-UHFFFAOYSA-N 556.254 6.023 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl 2313521385 KECSGQKXNCHTRX-UHFFFAOYSA-N 603.800 6.376 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 2313521430 NQGJGBLDXLVUHI-UHFFFAOYSA-N 603.800 6.376 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567736 NPUSMAPZWGYSEL-UHFFFAOYSA-N 552.472 6.437 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314441886 CRDAFFGGLSPZGT-NRFANRHFSA-N 572.078 7.425 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 2314477825 AEIVYHZYOVGGEI-UHFFFAOYSA-N 566.082 7.419 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2314482379 JNQHKIBLRXYVJA-JGCGQSQUSA-N 543.095 8.883 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591816 FMHIJAYIAGQESL-VWLOTQADSA-N 518.038 5.976 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592969 FEDFXTFTRDBDQJ-SKCUWOTOSA-N 525.674 6.006 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314610313 FYVWNZUQAUSSNP-UHFFFAOYSA-N 556.666 6.675 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 2314618286 KRSQQROXEUUWFW-UHFFFAOYSA-N 541.611 5.600 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C(C)=C(C#N)C2=O)cc1 2314619980 IOSPUXVJWWZNPY-UHFFFAOYSA-N 542.639 6.000 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 2314634284 XCAUIAKKBMNSAA-PMERELPUSA-N 506.646 7.119 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634700 BCFOMWYCYOTDTN-YTTGMZPUSA-N 536.672 7.390 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640778 XTESFDJSYMPGPE-HKBQPEDESA-N 518.544 6.242 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2334326961 HKTLWZPXWQMHHR-RFSKQPJPSA-N 536.327 7.453 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)c(Br)s1 2335289807 MQYAUQGIGNOERC-VIFPVBQESA-N 576.732 7.966 50 10 KKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Br 2336043075 CKHXIDXOICYFEG-HXUWFJFHSA-N 502.580 7.397 50 10 KKGE CC(C)([C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)S(C)(=O)=O 2337091859 HXAWJGVRQRZGMC-SNVBAGLBSA-N 501.437 5.263 50 10 KKGE Cc1nn(C)c2sc([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)cc12 2361174510 XVWKSFSMMYHVSJ-HXUWFJFHSA-N 506.263 6.769 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362225863 RXTHPNDNRIOBNL-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2365234036 WQZQOFHCTHUHFI-FQEVSTJZSA-N 555.104 7.592 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2scc(Cl)c2Cl)c1Br 2365237478 TTXQNUFRMWORIT-JTQLQIEISA-N 523.899 7.381 50 10 KKGE COc1c(Cl)cc(CO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1Cl 2365732042 LODNYJDDBRZUDI-LJQANCHMSA-N 530.230 5.723 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)c1 2326376 ZYWGZBZDDRSFHH-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 29492324 YRZOCJSXHJQRNY-TYQILWOPSA-N 512.613 6.987 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38606722 GCHOYZICNLOQET-HZHRSRAPSA-N 523.029 5.725 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38649723 YBNAHQNAEUEKBU-AREMUKBSSA-N 523.416 6.493 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 38650462 GMZAALZAKIDRAL-VWLOTQADSA-N 511.361 5.595 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1OC 38658977 BBWUSHLOAZXMMJ-MHZLTWQESA-N 500.551 5.030 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38686128 AGMAIIJWQBFVKR-WHLCRQNOSA-N 516.569 5.986 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38701383 FCYNBVUKWFZKQV-RUZDIDTESA-N 500.938 6.231 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)COc1ccccc1 39867477 METRQYKFPBEFTC-UHFFFAOYSA-N 512.997 5.586 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813591 VCPPYFSWCFIGSS-AJBULDERSA-N 506.389 6.771 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)c1 40822151 USTXAYKVSFWREC-WGPBWIAQSA-N 509.562 6.112 50 10 KKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(OCC)cc2)c1C(=O)OCC 40949001 APSBRMAPUTXRII-LTGZKZEYSA-N 504.608 6.325 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=O)N1c2ccccc2Sc2ccccc21 100104942 GTQVOFAYBMUQJA-UHFFFAOYSA-N 549.244 5.634 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c(Br)c1 100229643 LEDINWWESSWAAS-UHFFFAOYSA-N 569.077 5.247 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1 100233710 LITBCKRRUDRUOB-XGUCDPIRSA-N 591.502 6.553 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 100235394 FUEXGHDLUHFUHO-PCYMAAINSA-N 624.757 6.807 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 100235592 HQSQWUBYZSHFIZ-ABZYITTCSA-N 586.439 5.308 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 100238415 RMBWUDIOCHKDKT-APTYXWLQSA-N 545.463 6.334 50 10 KKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100261287 UJNJXRQBKXBQAB-LIRRHRJNSA-N 556.295 5.417 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 100883612 RCLZCUNAKVLWDE-RGXNXFOYSA-N 545.664 7.074 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242707 OHAPTLXETIUZBN-YMGIJWJESA-N 526.445 5.946 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243119 LFQWMIWTRSOLCQ-RZYCCMLOSA-N 584.063 7.225 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101336179 ZPVSOVWSSJTDNJ-RDRPBHBLSA-N 566.702 6.290 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337620 KSKKEWQJQUKBLB-DCDUZGPOSA-N 542.639 6.682 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 101340497 BDWLKAGSVBIKLP-OGLMXYFKSA-N 546.602 6.178 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(Cl)cc1 101363397 FAWPQSNHTBAMLX-QGZVFWFLSA-N 522.813 5.238 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101372026 TVOJPACWOPCJFS-HKBQPEDESA-N 554.687 7.389 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1OC 101375336 MLLJOHOUUSDGKZ-YDZGAZROSA-N 552.671 7.190 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378605 GTBLSTXKOQVHTH-PZSFHAMRSA-N 544.607 6.420 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)c(C)c5)ccc43)cc2)cc1 101378819 YWYQADQAGDYLHB-XIFFEERXSA-N 546.623 6.393 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379628 KPZMXSPKNYFGFO-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380560 AORVNALBZSRPNE-SSEXGKCCSA-N 540.978 6.424 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384759 BAONUNPSYKVEBH-HKBQPEDESA-N 603.458 6.784 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101387055 AYHPGJQKEVFOTL-YTTGMZPUSA-N 566.585 5.924 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387952 ASKIXOQAUMQEOB-AOXBRHMESA-N 604.703 7.126 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389661 FCLFCNNWGWJXQP-UMSFTDKQSA-N 594.639 6.568 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)c(OC)c3)c(C)c2c1 101392940 YIJKUNAMYMIMHT-XIFFEERXSA-N 586.644 7.329 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)oc2ccccc12 101398084 ASWYFXPAZMIODB-SSEXGKCCSA-N 528.564 6.758 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)/C(C#N)=C3\Nc4ccccc4S3)cc12 102957039 XCRRKFYTDBCWKU-OQKWZONESA-N 506.996 5.728 50 10 KKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 103649457 SXCLJZJOGZKBJN-MTJSOVHGSA-N 510.059 6.819 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 103879169 DZPAFQVPTFZCNP-MZJWZYIUSA-N 538.354 5.845 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 104953709 UQSKXXVTSMYEJV-PXNMLYILSA-N 522.215 7.433 50 10 KKGE Cl[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 106048086 PCQHHGZMQLZGQM-ZOHVZMGWSA-N 559.102 6.923 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1Br 109844409 AJYVOVBXCKKSSX-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 150382917 IYDKQHUUBZXCOZ-BAAUMNHKSA-N 685.256 5.347 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 150411128 XGZHDNBNHBPCEO-ARBWBAARSA-N 731.230 6.697 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433869 PEQXSARIIUYTQD-PMERELPUSA-N 712.438 9.930 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 150497559 ZHHPCTPABIRJBO-FMFFXOCNSA-N 641.127 7.573 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 214233637 PMZXDCIABNCMQA-OVZSPSEASA-N 506.606 5.645 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214239328 DIRVJWGIGNULQV-BRPDVVIDSA-N 514.629 6.865 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1 232482219 DMOGFYFUAMUQBO-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2)cc1Br 235822717 GLEUVVZECMPEEP-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 252462294 RHVUWCOPIAXOFJ-KSCDKVHLSA-N 565.746 10.076 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1 252630467 VAEXQOWMCXJHRT-ZPVYYSTASA-N 718.048 7.488 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1ccc(-c2ccc(Br)cc2)o1 254449968 JNOIEAHIVAETAO-UHFFFAOYSA-N 559.449 5.594 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc23)cc1 254615886 OJRHAOJUVKDHDV-UHFFFAOYSA-N 574.681 6.718 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2OCC)cc1 254900766 DEOYWVPLMJFNCJ-UHFFFAOYSA-N 552.627 6.289 50 10 KKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1Cl 383533483 BMRSXZVWUOHNLO-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(I)cc2)C1 394513757 GAHQHHPXDCBAJH-WMZOPIPTSA-N 547.174 5.078 50 10 KKGE Clc1ccc(I)c(C[C@H](CBr)c2ccc(Br)cc2)c1 405524143 KHJVZHPZGCXNMO-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE CC(C)[Si](OCC(=O)[C@]1(O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C)(C(C)C)C(C)C 504170638 DRHJQOZLRXWLKW-VWWSVQKTSA-N 707.129 9.020 50 10 KKGE CC(=O)O[C@]1(C(=O)C(Br)Br)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C 504332816 FXRCFNRZJNQXRW-ZCPVAAPISA-N 516.270 5.115 50 10 KKGE Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1cc(I)cc(I)c1 690418630 DOHYEZGWEOMRMJ-VIFPVBQESA-N 513.544 5.113 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1 721614385 OPNZQLAOHZSYAD-CQSZACIVSA-N 516.398 6.153 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(Cl)cc1F 721615652 SENOXTBZQMLULS-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE O=C(NN=C/C(Br)=C/c1ccccc1)c1ccc(NN=C/C(Br)=C\c2ccccc2)cc1 886000343 MGXLIYUMFUEWQF-PNTRORGNSA-N 552.270 6.672 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084006234 MGHYUUQGKYERPA-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084018279 UEVKAISZYVPGLJ-UHFFFAOYSA-N 563.764 6.895 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1 1084088464 NVZNJAMCJLJXMW-UHFFFAOYSA-N 651.149 7.462 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084222442 WYDDBDLMZVORPF-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084226711 KYECNGRIMFTGNZ-UHFFFAOYSA-N 652.545 7.686 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084267839 MDQQJWBLSRMQNN-UHFFFAOYSA-N 611.120 5.119 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1 1084375703 ZCYPFNQMYHMEFI-HKOYGPOVSA-N 546.465 5.683 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084390084 HEQOYWMLHXEXAC-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084391387 TXKAWGRWMKGDOD-UHFFFAOYSA-N 623.087 5.572 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1 1084427168 UEGNVJJJEUZNPG-SGWCAAJKSA-N 507.634 5.649 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc(F)c1 1084485296 FSAGNRQFKYEHDS-UDWIEESQSA-N 511.380 6.994 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748690 CNCQPOWVWYKVEJ-UHFFFAOYSA-N 534.827 6.345 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748730 DCXDZXBITCCLNX-UHFFFAOYSA-N 555.462 5.093 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748802 OFQLYOFRFZHNNC-UHFFFAOYSA-N 556.460 6.592 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccc(Cl)cc1 1772756550 QVCHJLJGIWHKDI-UHFFFAOYSA-N 566.279 6.489 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865690548 USHWRLJNJFMKRJ-MUUNZHRXSA-N 520.633 6.313 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865690902 DTFVQXSGEOZSSF-JOCHJYFZSA-N 553.457 5.747 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865692433 BLMWDPJNUIWTTJ-MHZLTWQESA-N 527.024 6.284 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693959 SKEOVFPRPAFASP-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696189 YBLPVWJYUVFKCA-LJQANCHMSA-N 539.341 5.882 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCCCc1ccccc1 1865696811 LBYOGDIYZIYEPU-LJAQVGFWSA-N 524.596 5.617 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)cc1 1865696879 STISZXHGLJUYOQ-QHCPKHFHSA-N 513.395 5.593 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865702824 GASBECQWXBWBQQ-HHHXNRCGSA-N 547.442 6.683 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702888 HOSPQLADEYACOX-PMERELPUSA-N 575.068 7.307 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703644 XUORGBGZOIDYIQ-MUUNZHRXSA-N 543.042 6.782 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704115 NOHAVQZZJUMUEB-SANMLTNESA-N 531.443 6.598 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705884 ILWLXENCYBQIHQ-AREMUKBSSA-N 549.974 6.481 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710900 LBMOFBBUNGKLBO-JOCHJYFZSA-N 506.915 6.489 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867194250 QKTXBNJZNHLMJN-HHHXNRCGSA-N 574.666 5.532 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)nc(-c3ccccc3)n2)cc1 1868365695 TZUDQHHBRNDKFU-XMMPIXPASA-N 542.506 7.434 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4c(Cl)ccc(Cl)c4Cl)c(OC)c3)nc2c1 1872728646 MRYOKWIQFQOYAB-CXUHLZMHSA-N 570.816 6.734 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)\c2ccccc2)cc1 1872747210 SDWWMVVKHGRWEJ-KUEQOBMBSA-N 509.587 7.539 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873496102 CPSKUYVNUPQZJC-HNSNBQBZSA-N 528.008 5.378 50 10 KKGE Cl[C@@H](c1csc(I)c1)c1cc(Br)ccc1OCc1ccccc1 1899855662 ANPKHZWJWRYBJR-SFHVURJKSA-N 519.629 7.022 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccccc1OCc1ccccc1 1923074727 QUINWGRIFVJTON-OAHLLOKOSA-N 551.525 7.990 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583535 LIDAABHNGAJOOU-RNFRBKRXSA-N 511.943 7.544 50 10 KKGE Cc1nn(C)c([C@H](Br)c2sc(Br)cc2Br)c1Br 2017377818 WSTLDZJJKONHDF-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cscc2Br)c1Br 2024281094 DKEBJQSOFGLNSP-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2nscc2Br)c1Br 2024282967 OCUVAXZJFJRZKV-JTQLQIEISA-N 504.867 6.223 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1C 2039501943 CYWXRKPJIIYKCO-MRVPVSSYSA-N 558.380 7.805 50 10 KKGE CC1(C)CC12CC([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2063994118 OQDIGLFJMKCIMB-XAUYTDGJSA-N 521.938 7.298 50 10 KKGE FC(F)C(F)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494398 LQPNKJIMAWWFQK-SSDOTTSWSA-N 586.635 7.073 50 10 KKGE C[C@@H]1OCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496478 RCCAWMSAAHRXQT-DFEJBLNRSA-N 526.288 6.442 50 10 KKGE Brc1scc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 2093942753 ZXHKCBKGMLPKQV-JTQLQIEISA-N 578.889 6.297 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)ccc1Br 2117895407 RMBSDIXEBNTSNE-SNVBAGLBSA-N 503.016 5.325 50 10 KKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467968 FJEIAOYFSTXABU-PDPXDMDKSA-N 540.315 6.830 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]3C2)c1Br 2141469292 ULIBCUHQNJFEFP-HIHLCYOISA-N 580.778 7.609 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCOC[C@@H]1C2 2141471703 VDUJBUOZDZVIOT-WBKRDIRUSA-N 538.299 6.443 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2148748635 DWQIVJWVLXIOIF-ZDUSSCGKSA-N 531.839 6.606 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3csc(Br)c3Br)c2O1 2150345471 NDCAOZDMUOUBCR-UPONEAKYSA-N 545.916 6.843 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@]2(CCCN(Cc3ccccc3)C2)C1 2163317161 HUTYNBJYXIZSIG-QFIPXVFZSA-N 512.717 6.490 50 10 KKGE O=S1(=O)CCc2cc([C@H](Br)c3cc(Br)sc3Br)ccc21 2170069041 XLZCJUNZJFPJHI-LBPRGKRZSA-N 501.059 5.087 50 10 KKGE Clc1ccc(Cl)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405701 OSGHPRVPVIQCDX-ZDUSSCGKSA-N 587.158 8.372 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)cc(C)c1Br 2220199895 IVASGODIJQSMMV-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224314651 ZLDXYIYCGHQQQN-JTQLQIEISA-N 512.250 7.558 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(C)c(I)c2)cc1Br 2224621276 ASYYNTBXTFFKMW-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)[C@H]1OCc1ccccc1 2234072551 ZMESOMNJPTXFND-AZUAARDMSA-N 512.673 6.857 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@@H]1CCCO1 2296707751 FWYUTOVAEYRSSH-NDEPHWFRSA-N 573.480 6.627 50 10 KKGE N#CC(=Cc1ccc(Cl)cc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297212666 XFURHNRTLSMCCC-UHFFFAOYSA-N 504.192 7.050 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=CC(Br)=Cc1ccccc1 2297304167 RSDFFISHAGFEMN-UHFFFAOYSA-N 539.886 6.368 50 10 KKGE Cn1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)n1 2299489456 PLTJAMYDMLQSQU-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2299500599 HFTDRTXRSDDPIG-HHHXNRCGSA-N 538.279 8.091 50 10 KKGE Cl[C@H](c1cccc(I)c1)c1ccc(OCc2ccccc2)cc1Br 2299501556 PFEDCGRTCGFILK-HXUWFJFHSA-N 513.600 6.961 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2ccccc2c1 2313567761 OFNCQHWPFFMXQC-UHFFFAOYSA-N 629.498 6.288 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C1 2314475895 FEWNGVNCCGVVKT-PSWAGMNNSA-N 586.739 5.544 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314478814 WLXOBBRCPPWSMK-UHFFFAOYSA-N 545.042 7.626 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592068 LETXQGQMLBVEMF-VWLOTQADSA-N 570.036 7.349 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592280 PSMCTLIFRVGPQX-RUZDIDTESA-N 518.038 6.112 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314619570 BPUGDHFEJXVHPV-UHFFFAOYSA-N 547.438 6.764 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314737487 ORPPKLBTNWFVJI-UHFFFAOYSA-N 587.426 5.925 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1Cl 2331397958 MJKPXOLTWDMKML-UHFFFAOYSA-N 510.424 5.205 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cccc(Br)c1Br 2360498266 YFZORYHJJGTKPW-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)CCOCC(F)(F)F)c1Br 2362252230 DPWZXUPLZGXWEU-RXMQYKEDSA-N 507.341 6.409 50 10 KKGE COc1c(Br)cc(C=NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1Br 13590173 IYRFTBFWIPQFBG-IRXDYDNUSA-N 508.254 5.772 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38682976 JFNMLALABFHVKH-PMERELPUSA-N 526.633 6.366 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684605 BZYPSQDKPLNEEL-AFJIDDCJSA-N 510.590 5.966 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 40530257 SPCZZWHOTARRGN-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 40890852 UJDJXBLHQFKUIV-HZHRSRAPSA-N 508.530 5.024 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 59460577 AHICNZKVUMGIBM-QOMWVZHYSA-N 510.373 5.160 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(OCCCCCC)cc3)cc2)cc1 100139824 UBAUCYRZYOXBGX-UHFFFAOYSA-N 602.732 5.754 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1CSc1nc2ccccc2o1 100185408 JHEBTNVOESZIEY-CAQPMQTCSA-N 550.640 6.453 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 100231889 NQVMMROGGDZRNF-DQSWQQFISA-N 580.306 6.698 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCCn1ccnc1 100883825 PJMTXRAVJYYZMF-LGUFXXKBSA-N 546.606 5.567 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034239 WQLOLBWBDQMKKO-RIYZIHGNSA-N 570.251 8.310 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245634 HQPYNZABQWHTAJ-NLTRVXJZSA-N 538.456 6.375 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246214 BAZFUYDILTWCCY-GHRJURJJSA-N 525.674 6.582 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 101338486 LMYNPQLRRIQKII-OEAKJJBVSA-N 512.997 5.736 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367515 JLRYBQNHZKNUPS-MGBGTMOVSA-N 562.622 6.039 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCC(C)C 101374291 PTOYLWLNJHVFSQ-NDEPHWFRSA-N 534.996 5.586 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OCC 101374607 DGVUZBFVAOBHRK-HKBQPEDESA-N 556.659 6.880 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380376 GJMCVXNACVSDMU-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383458 ZGDDJZIIWQLHRD-XFSFLGPDSA-N 581.068 7.072 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1C 101383860 WAGFJXHJDHFOEZ-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383980 LPIJYIFLFXRRDQ-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388405 MBTNNTLWXLDRBV-MGBGTMOVSA-N 609.122 8.053 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 101388736 SPNALFHCEYDBTF-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1Cl 101391035 CMVLLRVFYVEXJQ-HSZRJFAPSA-N 529.807 6.873 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101393337 NJATWXKIUWWGFS-SSEXGKCCSA-N 552.627 6.921 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396500 PFZOIEJHDDUHJJ-SANMLTNESA-N 579.505 8.214 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)CC1 101399593 HNCVOOKTHBMUSC-RLRDMVSYSA-N 635.588 8.701 50 10 KKGE N#C/C(=C(/C=C(/CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 101512750 RZESJTSGYIQQFP-SUEXKHKLSA-N 506.508 7.664 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3c(Cl)cccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C 102078013 YBDHVQYZKQAYQQ-PMVZMBLOSA-N 556.902 7.329 50 10 KKGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)sc2c1 102471056 GAQMFNWALQIVFJ-YVLHZVERSA-N 586.464 5.726 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 102996299 LAPWDDROTMAURT-SEYXRHQNSA-N 526.959 5.058 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103879277 JQIDDJAZKPNUPQ-BRJLIKDPSA-N 555.297 5.577 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 104952821 GVQPHNGCAJJXHX-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl 105059028 ZBSCFAVTXXAROC-XODNFHPESA-N 557.235 5.697 50 10 KKGE CC(C)(C)OC(=O)COc1c(CCl)cc2ccccc2c1-c1c(OCC(=O)OC(C)(C)C)c(CCl)cc2ccccc12 105270795 MPGXPOOFKYLYSO-UHFFFAOYSA-N 611.562 8.579 50 10 KKGE CCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920694 DCIQOWDTOXIBKI-QNTQNTNTSA-N 505.227 9.347 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 128745283 URMZOHKKYLZCDM-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)cc1Br 128775018 RWXCUJFHNXYAMA-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccc(Cl)cc12 150483243 MOIVVSAATCYHFD-PMERELPUSA-N 631.899 8.718 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 158274811 QMBKOZDYTYWPCF-DPPSQMMGSA-N 648.941 6.620 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 163799877 NYYMIDZADHYYRT-BKATUZMVSA-N 657.612 8.966 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 214238998 ABLSNOYNCPANPD-UQQQWYQISA-N 524.621 5.729 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 214296801 LFBSPNHTQJEKMM-DIBXZPPDSA-N 524.621 5.347 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 227844826 HYAYNCFHAZCSDG-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Brc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)c1 232483213 IUKVEWVNFOFZNO-CQSZACIVSA-N 539.912 7.673 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)n1-c1ccccc1 254392905 JBGXMQBDTKGRQN-QHCPKHFHSA-N 597.144 7.264 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 254480576 XWQIBLWLCRLZGQ-UHFFFAOYSA-N 650.776 6.803 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254582719 FCGFVSNQEZOHOU-UHFFFAOYSA-N 515.654 6.074 50 10 KKGE CC(=NNC(=O)c1cc(C)nc2ccc(C)cc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254588534 AUPHRFAEHPTXTM-UHFFFAOYSA-N 528.428 5.777 50 10 KKGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254791518 PMHRUMGXQWDPMC-UHFFFAOYSA-N 541.677 5.790 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)c(OC)c1 254794277 FVDSWUGUAISCFE-UHFFFAOYSA-N 554.599 5.342 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 263628227 XYLDASNXEIRSQW-LYNPXTOISA-N 559.651 5.796 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1cc(I)cc2c1OCC2 306059405 RZRXTQSMHQQGJQ-NSHDSACASA-N 534.438 6.141 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 310815128 WGAYCAXBOZBFLQ-NSHDSACASA-N 538.324 7.482 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 504431652 VWNYSLBEKMNLIZ-VJBWXMMDSA-N 601.022 7.170 50 10 KKGE CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 504746373 LBWTYBJDVVQBIH-MEBUQTMISA-N 787.131 7.506 50 10 KKGE CC(C)(C)OC(=O)NC1(C(=O)OCCl)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 616578964 WJIUEXUOIRBAHV-UHFFFAOYSA-N 515.006 5.034 50 10 KKGE Clc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721574210 WQOIEYYJTUSRTL-JTQLQIEISA-N 534.844 7.039 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 724910903 WUCOMYSSITXYEJ-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)C(=O)O 888085927 JDNCCENFXJWTKB-UZDJEOCISA-N 562.908 7.425 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000405 PRCMMETVWMEYKS-BMXZUVLWSA-N 649.070 6.282 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1 1083984059 UWOKVQXSVDZGQH-UHFFFAOYSA-N 524.583 5.605 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F 1083994010 XNBBLOPABVFDBP-UHFFFAOYSA-N 586.255 7.168 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 1084215419 YQSGVECPKRPLAU-UHFFFAOYSA-N 771.824 8.658 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084286649 ZPBVARLZSXNWQK-RUZDIDTESA-N 636.914 6.285 50 10 KKGE COc1cc(C=NNC(=O)CCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084289717 FLBPETNEWYEWQB-UHFFFAOYSA-N 501.808 5.773 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(F)c1 1084528075 KQVKGJCXJVDNDE-UHFFFAOYSA-N 623.216 6.291 50 10 KKGE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](CN=C=O)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 1085211357 FWULWQNHPKVVEM-CFMIHTIISA-N 679.605 5.621 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc(C)c1Cl 1772751738 XGSLXQMMGKKQOB-UHFFFAOYSA-N 501.970 6.096 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865688543 UOZQIVAXIVQPNR-QGZVFWFLSA-N 569.765 5.689 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688722 ZDXMVQNFZCQHIM-JOCHJYFZSA-N 523.431 5.196 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865690545 UJCMUESTRFNFSE-SANMLTNESA-N 511.025 6.649 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)c1 1865690689 YTFIUGJHBUXTKU-VWLOTQADSA-N 512.997 5.877 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OCC 1865691667 YCYGKWIRYIJDID-MHZLTWQESA-N 518.633 6.209 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1C 1865703426 VOTADICRRLNTAO-AREMUKBSSA-N 576.575 6.404 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705450 WDPJMLUUGXCZFI-AREMUKBSSA-N 506.562 5.189 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707574 ZWWAHUXSRMMORA-IBGZPJMESA-N 505.789 5.386 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711723 GRQUCOJCMOBGPK-YTTGMZPUSA-N 575.068 7.210 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714722 OLKXDSSIBHYDAO-HNNXBMFYSA-N 512.231 5.030 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178285 LVWPWXZWIFKFLG-QFIPXVFZSA-N 508.669 5.205 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456029 HSZCOTSEPVBHPN-UHFFFAOYSA-N 549.635 6.043 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(N4CCCCCC4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456841 UVAKSJWWBCIEIO-UHFFFAOYSA-N 502.663 6.444 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1c(Cl)cccc1Cl 1872728629 LZOOIDGMWNDVEB-LDADJPATSA-N 500.378 7.193 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1OC 1872747995 CCIKZZIPZDCQSM-IHCLVQKISA-N 510.015 5.365 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872752015 ZOIANAGRFOLJKZ-ZYNBKEAPSA-N 503.451 7.683 50 10 KKGE Cl[C@H](c1cc(I)sn1)c1ccc(OCc2ccccc2)cc1Br 1899851998 MHUGCCABOHMVDP-KRWDZBQOSA-N 520.617 6.417 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(I)c2)c1Br 1922946412 QTIYGZAOMBDHIW-SNVBAGLBSA-N 550.879 6.670 50 10 KKGE Brc1occc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579856 LCLHYUULBILHBI-YFKPBYRVSA-N 558.709 6.875 50 10 KKGE Cl[C@@H](c1cc2sccc2s1)c1c(Br)sc(Br)c1Br 1924593452 DZCQWCHXSGFKDJ-VIFPVBQESA-N 507.519 7.640 50 10 KKGE CN(Cc1ccc(I)c(Cl)c1)C[C@H](Br)COCc1ccccc1 1995480644 ZQKUJNGQWKDKLP-INIZCTEOSA-N 508.625 5.357 50 10 KKGE Brc1sc([C@H](Br)c2cc(I)sn2)cc1C1CC1 2007648782 ZPSIAOLJVNHLGK-SNVBAGLBSA-N 505.038 5.933 50 10 KKGE Br[C@H](c1cscc1OCc1ccccc1)c1cc(I)cc2c1OCC2 2038686413 NZPBEMRNEWOCET-IBGZPJMESA-N 527.221 6.351 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2csc(Br)c2Br)c(C)c1Br 2093942492 TYTZTYXYVGFXDA-LBPRGKRZSA-N 531.933 7.445 50 10 KKGE Brc1ccc(I)c([C@@H](Br)Cc2ccc3c(c2)CCO3)c1 2168654066 PHZPGKSNSBPMAL-AWEZNQCLSA-N 507.991 5.667 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397439 JIINGEZZTBINFE-NWDGAFQWSA-N 604.747 7.998 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@H]21 2233195242 WXCPCNKYMXBMLH-BJTDRDLISA-N 552.326 6.832 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccc(Br)cc2Cl)cc1Br 2237453780 CMYVAVLRWOUYGP-HNNXBMFYSA-N 501.871 7.459 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 2264356169 IWWZAVQKSHVXAX-SECBINFHSA-N 554.323 7.182 50 10 KKGE Fc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)cc1Br 2295265454 RLEUVIHZKUUHCV-LLVKDONJSA-N 533.830 6.931 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@H]1CCCO1 2296706093 WSQZTPDEAWEBJA-MUUNZHRXSA-N 539.035 5.974 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 2296730303 STAQWYPHOIHCHM-XMMPIXPASA-N 542.614 7.042 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790158 SWGHYTCSVZYUBF-HXUWFJFHSA-N 519.736 7.793 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)C1=CNc1cccc(NC=C2C(C)=C(C#N)c3nc4ccccc4n3[C@H]2O)c1 2297532099 QKPXRAGTEDXSSD-HEVIKAOCSA-N 578.636 5.981 50 10 KKGE CC(C)C(CBr)(CBr)Cc1ccc(I)c(Br)c1 2306198976 HJAILWZHPPHIKW-UHFFFAOYSA-N 538.887 6.028 50 10 KKGE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2313682788 KSTQHAWOAGZFHX-UHFFFAOYSA-N 534.591 5.312 50 10 KKGE Clc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314502639 KUSFCNIWSQFYOS-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(Cl)cc3)nc12 2314532818 MJCRFUPCCRUOJH-UHFFFAOYSA-N 525.779 6.301 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314610704 LIVNLMZMRYCOLI-UHFFFAOYSA-N 591.111 7.554 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314620570 QYPCCAFSOFZHGU-UHFFFAOYSA-N 586.692 6.479 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(C(=O)OCC)cc2Cl)cc1OC 2314793406 RGHBQPAOOLABSW-UHFFFAOYSA-N 515.006 6.039 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1Cl 2331484798 SVYUGILKRPDWGC-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE Cc1c(F)ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2338765191 IYUVGEAVMZVLLO-MRVPVSSYSA-N 511.863 7.512 50 10 KKGE Fc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362228253 BWKXXFBMKZSSAM-JTQLQIEISA-N 509.797 7.281 50 10 KKGE COc1cc([C@H](Br)c2csc(Br)c2Br)c(OC)cc1Cl 2363540245 VPDUHELXVXIHFD-NSHDSACASA-N 505.453 6.428 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2364051043 LUAQCINGVVAMAW-JTQLQIEISA-N 529.852 5.127 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2365222730 GLQAOAAOXZYQOE-OAQYLSRUSA-N 510.653 7.436 50 10 KKGE Clc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(I)c1 2365597192 DCPCMTAMZWWYLX-CQSZACIVSA-N 542.461 7.406 50 10 KKGE COc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2365840973 RVWONRXGABCKRG-SECBINFHSA-N 511.407 6.698 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1Br 2368177814 UXFBAYPEEIKFRR-KXUCPTDWSA-N 594.805 7.999 50 10 KKGE Clc1ccc([C@@H](CI)OCc2cc(I)ccc2Cl)cc1 2380352302 AYYTZZXEBOWDPT-OAHLLOKOSA-N 532.974 6.291 50 10 KKGE Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@H]4CC=C[C@@H]34)cc2)c(Br)c1 8685319 FPVBOIBRAJSZDR-PSSRZGJYSA-N 504.222 5.781 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 38660695 NJSNHSHHTDAIND-JOCHJYFZSA-N 511.759 5.548 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1 38685429 BKCXOHUQZYXSLS-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)CC1 38700428 NOFLCDMSKRQQTG-OTABCKCHSA-N 522.645 7.599 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 40530382 CNFIJJJPXAHHSC-AREMUKBSSA-N 514.965 6.539 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 40977741 GHSPWLVXMWWHLW-RCCKNPSSSA-N 525.026 5.693 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 58887964 NPEQISXEBKBSEP-TYNJROEQSA-N 511.416 5.391 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 59116985 WKOSDXJLSOINDG-WOJGMQOQSA-N 501.797 7.170 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CCCC)cc2Br)cc1OC 64985639 GSHYRUSXVCTXPH-CJLVFECKSA-N 513.476 7.305 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100163886 HPELPNYUXFJMRB-UHFFFAOYSA-N 556.482 5.010 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 100236997 RKWNIYOCGPELJZ-COXVRVBQSA-N 565.881 6.597 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 100238169 FVOUSLQVLBPIQY-POBUXNOSSA-N 585.451 5.098 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(Cl)cc3Cl)nc12 101115848 ILAAALDILCBDIZ-GDNBJRDFSA-N 559.331 6.667 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101336705 NFKOLZIYAMDHJI-UXHLAJHPSA-N 584.607 6.643 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101337037 VITJRLHTTQMRKC-FXXTWSIJSA-N 536.632 5.406 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Br 101339390 ZODHDKMJVXCHDU-CVKSISIWSA-N 593.481 6.411 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c(OC)c1 101365690 HIGQUPDZXQORDJ-OSSVLFQVSA-N 523.372 5.848 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 101371045 UANNEEPOJUQJJS-FQEVSTJZSA-N 516.724 5.992 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101374036 GIDVZIVHYXASSI-PMERELPUSA-N 563.050 6.429 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382433 QWFSBHKXWCHMOJ-NHRFMIRVSA-N 560.650 6.728 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385867 ZGQHMZMBEVTUBL-HKBQPEDESA-N 583.040 6.764 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 101386078 PAKHXSDACDXBIH-WJOKGBTCSA-N 614.010 6.038 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101386718 IQWFDEIGHDEMNG-JGCGQSQUSA-N 566.585 5.924 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389448 JVASRLKVOSQXNS-MPWBQTRNSA-N 618.705 7.938 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCC)cc1Cl 101390643 HGYKJYVYCQEYMI-VWLOTQADSA-N 539.415 6.618 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2c1 101390989 DYQSRMVNOHGSKO-HKBQPEDESA-N 542.591 7.066 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)CC1 101397602 PYHAEAZEGNYBLO-IMLANLDWSA-N 571.117 8.039 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598928 CNZHNHOUBCALQM-MTDXEUNCSA-N 533.799 5.093 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742822 KEBDJMOKMMCQAI-QPQMVVSWSA-N 536.426 5.962 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742843 MNYNVDGISUUWMN-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Br)cc1 104953621 NCKPAECJASXUCG-WQRHYEAKSA-N 546.248 7.279 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C3CCCCCC3)cc2)c2cccc3cccnc23)cc1 105442857 VNRXZKQYIJPLAV-UHFFFAOYSA-N 540.689 6.379 50 10 KKGE O=C(OC[C@H]1O[C@H](Cl)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 106385873 XVLSIQHWHHLLPV-ACESQOTJSA-N 584.235 6.219 50 10 KKGE Clc1cc2c(cc1[C@@H](Br)c1cc(Br)c(Br)s1)OCCCO2 128553628 YMLXOGRYICCTBN-CYBMUJFWSA-N 517.464 6.572 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OCC 207295869 OJIYFPJOGYJWQO-IZOTXVGBSA-N 506.599 5.323 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214299485 YTZCTIKXNPRAID-RIRGPFDCSA-N 536.632 5.190 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214352694 CYBDLMKZXMKZAR-QQXSKIMKSA-N 506.606 5.661 50 10 KKGE O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 252615793 JUYLFDUFVYXNQM-OLISVDDPSA-N 555.428 6.117 50 10 KKGE CCCCOc1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1OCC 252624047 PFCKHMFACRKTIH-UHFFFAOYSA-N 502.014 6.897 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNc2ccc(F)cc2)[nH]1 253564189 GFZCXNNGDGYHFU-XICOUIIWSA-N 644.825 6.591 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CCCSc1nc2ccccc2s1 253572254 PYXLRAATHCVGRI-JWHWKPFMSA-N 614.885 8.285 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)CBr)CC[C@@]34C)[C@@H]12 254306168 AWEXTVRTNPEMJG-OXIYIZRGSA-N 549.678 9.051 50 10 KKGE CC(C)CN(CC(C)C)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-] 254404302 PVWWEVDFKFOFEJ-UHFFFAOYSA-N 527.625 5.332 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@H]1OO[C@H](CCCCCCCC)O1 256067469 KYGUWEUFTRFTBP-XIJDGDAWSA-O 809.096 10.874 50 10 KKGE Br[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 309690517 CTKLYOLUBMYRCT-AQZMQOMZSA-N 589.526 7.037 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cccc(I)c2)C1 382710581 YBTBXXZMXGKVAF-SJLPKXTDSA-N 500.174 5.038 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CCl)[C@H](c2cc(Br)ccc2I)C1 382713895 IUXGIJRFWIRJFW-RHSMWYFYSA-N 534.619 5.645 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)cc1 616584134 HSJZRDBMNYMIBN-AREMUKBSSA-N 508.760 6.613 50 10 KKGE COc1cccc2c1CC[C@@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237972 OJQZPXQTPPDTPK-KOSHJBKYSA-N 537.003 5.762 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083933202 ITDSAFZSOFLSFX-SXGWCWSVSA-N 520.185 7.020 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 1084177238 DAPCWNGSLIAXDI-UHFFFAOYSA-N 560.097 8.178 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084228159 QAPOZKWGJFVBTO-QHCPKHFHSA-N 555.425 5.089 50 10 KKGE O=C(Cc1ccccc1)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084299627 OUUBUUGHAIXKGW-UHFFFAOYSA-N 543.652 6.448 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084400588 PRUHXFZETPJHLS-UHFFFAOYSA-N 650.223 6.060 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 1084410877 LZGWPMSNGXYJBU-UHFFFAOYSA-N 504.546 6.693 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc6c(c5)OCO6)c(C)c43)coc2c1C 1772752139 VPSSOTAQDJHNTH-UHFFFAOYSA-N 513.550 5.331 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccccc1 1772754671 OXLINLNGSCMNNG-UHFFFAOYSA-N 525.443 5.863 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Br)c1 1772755233 WCYIGSVEJPJMRX-UHFFFAOYSA-N 602.963 7.056 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1cc(C(F)(F)F)c(NC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F 1848433058 ASBVTUPABLZTMV-QCJUZSRNSA-N 658.800 8.960 50 10 KKGE C=CC[C@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 1848433141 LGYWRDLXHKTNGB-FBCSRODASA-N 992.494 9.320 50 10 KKGE CC[C@@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665488 MYLPOKATQGVMSF-HYXAVOHHSA-N 644.617 10.347 50 10 KKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865684115 UAHOXUWAHYYCMZ-QHCPKHFHSA-N 512.411 5.586 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1 1865687563 VABFKHJEBPJOPB-SANMLTNESA-N 543.421 5.749 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688232 NNCCKJRFUIVGLL-HSZRJFAPSA-N 537.458 5.586 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Br)c1O 1865688398 RCRYPOZSFTVKIM-NRFANRHFSA-N 530.382 5.019 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865689629 UWCDTWWMBMMZMS-QFIPXVFZSA-N 563.839 5.947 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865692024 HNFONFPMTJYHDP-HSZRJFAPSA-N 537.458 5.580 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701341 SQHQNFQRZIQKCF-VWLOTQADSA-N 513.985 5.289 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702421 VJOLYXLERDLYHW-QHCPKHFHSA-N 549.375 5.866 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705300 QYSXRBAYBOVEOH-HHHXNRCGSA-N 520.589 5.330 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705907 JBHRQIUEJFAENA-SANMLTNESA-N 571.475 6.311 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707067 MWZBLKOTZIVBBJ-SSEXGKCCSA-N 577.685 5.712 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c(OC)c1 1865708038 MKBITCDCPXDULM-DEOSSOPVSA-N 516.960 5.626 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872754911 OXIWSGSESNLRBX-LULRDMADSA-N 501.652 6.406 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccc(C)cc1 1872795188 RWMQVCIXLHJAEY-CIAFOILYSA-N 521.469 8.467 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ncsc1Br 1899864095 QKYCGAGCGUPDOV-HNNXBMFYSA-N 518.068 6.731 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 1924616271 NCKUKYKAVKQTTF-JVZYCSMKSA-N 523.910 6.287 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925615561 BFUKMKLJOOZEQO-ZETCQYMHSA-N 511.863 7.398 50 10 KKGE CCCCC[C@H](O[Si](C)(C)C)[C@@H](C[C@H](CCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933278097 SOGDCAWGODWBMZ-GMQQYTKMSA-N 563.057 8.911 50 10 KKGE BrC[C@@H](COc1c(I)cc(I)cc1I)C1CCC1 2029291654 PUQZJOZOQWFQCQ-VIFPVBQESA-N 646.870 5.690 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 2053613000 UMYSBKMDMCWCHE-UHFFFAOYSA-N 699.670 6.891 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2065505697 MKBDPEXOVHDCFS-LMVFSUKVSA-N 535.843 7.060 50 10 KKGE CC(C)(C)c1cc(-c2ccccc2[C@H](CP(c2ccccc2)c2ccccc2)N[S@@](=O)C(C)(C)C)cc(C(C)(C)C)c1 2080746993 LBEHDJAAPPRKMG-ZMEFLVBSSA-N 597.849 9.174 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(F)cc2Br)C1 2085375919 MKNVDMBTVGHFFK-GOSISDBHSA-N 528.200 5.310 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(Br)cc1I 2086139507 PLSORPZNFFHPSW-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2138872768 LUNTYFJFCLPSSW-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2I)cc1Cl 2139425022 AIBIECMSWKTVJL-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141470054 DMZJZMXKCGYFNM-JTQLQIEISA-N 617.220 8.244 50 10 KKGE FC(F)(F)COC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471787 WBWAHXPJAMKASJ-ZCFIWIBFSA-N 598.671 6.752 50 10 KKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(C1)C1(CCC1)O2 2157465795 OTYCQFFJQWCVET-ALXWSUNGSA-N 549.948 6.963 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(Cl)cc2Cl)C1 2223378420 OBCFOHOTOUVVNL-SFHVURJKSA-N 500.204 5.715 50 10 KKGE Fc1cc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1Cl 2277800675 CKICMEOYPSSWHB-ZCFIWIBFSA-N 556.314 7.507 50 10 KKGE Fc1cccc(I)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277956328 OMVCDUXVFWHZBG-LLVKDONJSA-N 562.840 6.634 50 10 KKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2F)cc1I 2285014899 YJAPWVKSSULHKU-GFCCVEGCSA-N 513.970 5.880 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293198216 KEPOQZKEVLMGSN-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc2ccccc12 2295459768 WBRPLIXELHQOQO-UHFFFAOYSA-N 550.920 7.285 50 10 KKGE COc1cc(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)cc1Cl 2297299532 XECITOFKVDIVKE-UHFFFAOYSA-N 510.915 5.472 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 2313568530 UIEBHBMXZGBLBB-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313568882 XYXJDWGJIFESDJ-UHFFFAOYSA-N 531.177 5.181 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2314445467 PBWYEPCHGOGBRM-GOSISDBHSA-N 529.070 6.491 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2nc3ccccc3s2)o1 2314486262 IZCFCYJSDPSFRI-UHFFFAOYSA-N 525.611 7.007 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592179 NHTIODNRPKRCDB-MHZLTWQESA-N 511.647 6.274 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 2314592409 SRWPXFKQUVYMGV-NDEPHWFRSA-N 541.673 6.111 50 10 KKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314610216 FIHMINRYTRGUMO-UHFFFAOYSA-N 527.448 6.754 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314617373 XBEUZYAYNDRVNS-UHFFFAOYSA-N 542.595 5.677 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 2314640621 DGROUUQZZLLTGF-XIFFEERXSA-N 528.608 6.719 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646594 DSWWTULHPLGXRN-SANMLTNESA-N 600.656 5.202 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 2321721485 PNDHMIGEOWKLTH-OAQYLSRUSA-N 516.038 5.415 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 2331305193 BKPJXZZXAVBRRO-UHFFFAOYSA-N 521.598 6.576 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305791 UXQWQVZBZKLZCM-SANMLTNESA-N 521.598 5.909 50 10 KKGE Clc1ccc(COc2cccc(Br)c2CBr)c(I)c1 2340114618 IUKBREMVDYCAQX-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2c(Br)cccc2Br)c1Br 2362227789 JILUFSVRZVCLKL-LBPRGKRZSA-N 570.703 7.857 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362240711 QHAVTRFFWNZJKI-ZDUSSCGKSA-N 552.834 7.245 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1Cl 2365188361 KNKINKCXAFLASI-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2scc(Br)c2Br)c1Br 2365236565 OXDWIGPCEAPBFJ-NSHDSACASA-N 612.801 7.599 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 8456031 SZZBJQZWLYDWBU-CLJLJLNGSA-N 515.610 6.042 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 20352820 SZZBJQZWLYDWBU-FCEXJIKLSA-N 515.610 6.042 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(=O)Nc1cccc(Cl)c1 34988360 NUSMGBIFIJJBON-LDADJPATSA-N 500.942 5.469 50 10 KKGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2ccccc2F)cc1 37441795 MJOASKRDYHFRGH-SLMZUGIISA-N 504.631 5.138 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686517 QHEJIMCOXVGNDX-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 58889238 WUEQDMNIGHLMTB-OADPBGPJSA-N 519.798 5.785 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3c(Cl)cc(Cl)cc3Br)cc2)cc1 100229617 OISIQNNJKPGJGO-UHFFFAOYSA-N 593.305 6.146 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 100452370 BOBCVVIEKSQYPI-RUPVGHTCSA-N 545.817 5.374 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 100452527 KCMDIKKXVMTPNM-IPYFEQEDSA-N 591.256 5.663 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242332 XWCGGUNVQQSYMX-JSIHEXFSSA-N 528.417 5.338 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243999 REQONEPKGBBMIU-GBGFTXIPSA-N 566.510 6.696 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101293424 XDTOAAJZGRZBHQ-HKBQPEDESA-N 554.643 6.512 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101337082 GBMWKTFVGPTESD-YEFXCMPDSA-N 588.639 6.029 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362498 SDKAIGMTDIZLKH-WENCNXQZSA-N 536.559 5.996 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365178 UCHWSFMNEMMTHC-HSZRJFAPSA-N 536.198 6.503 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101366999 VHULAZNXZLFDHE-RUZDIDTESA-N 555.414 6.237 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 101369085 MRDZYXVRORIAAU-CRYYWNKWSA-N 563.448 6.172 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374053 VBEHVDDHHJXTJK-YTTGMZPUSA-N 570.686 6.764 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 101377700 HYRXJAZRKJKMLB-SSEXGKCCSA-N 530.596 6.377 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381832 FENICHLGZCLHEQ-ICACTRECSA-N 546.623 6.419 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 101386571 ZAAJCJGVFPIFFX-LJAQVGFWSA-N 601.428 6.613 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387791 NKMFPAMHQTUPOE-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387839 KCEONOGIAHPHTE-DHYKOVJISA-N 594.639 6.703 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 101486999 NRXMAGXZZKFLOL-UHFFFAOYSA-N 540.367 5.379 50 10 KKGE COc1ccc(Br)cc1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103734793 BMZXFPYZEXRSMJ-NZRVNVCISA-N 575.119 5.647 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 103777465 YQDATUTZMOERME-LGMDPLHJSA-N 547.976 6.959 50 10 KKGE O=C(OCc1ccccc1)N1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 116540522 YKQQRDSDQHZSDT-DEOSSOPVSA-N 580.028 5.561 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433617 UBTLJFAGPBZAFG-UMSFTDKQSA-N 637.519 8.562 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(F)c1 164617104 KQVKGJCXJVDNDE-KVSWJAHQSA-N 623.216 6.291 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205669011 SVDULXIJCACVCY-KZCWDXHSSA-N 562.597 6.559 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 207201179 RJEYPBDFWNVLQO-WRDGEJPTSA-N 521.708 6.987 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 214349197 VYYUVZALLHPTHE-VAMRJTSQSA-N 619.747 5.405 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN[C@H](C(C)C)C1)c1cccs1 217001188 YZSFEMUTPFHCSO-WNCULLNHSA-N 526.102 5.618 50 10 KKGE COCCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 229015080 CZAHHPVHJBWTST-ZDUSSCGKSA-N 563.931 6.545 50 10 KKGE CCOc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1Br 233801930 RQFYTZPUSHYHHF-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE COc1ccc(Cl)cc1[C@H](Br)c1cc(I)ccc1Br 234879766 TXLGXSOBWJAOBP-CQSZACIVSA-N 516.398 6.200 50 10 KKGE CCOc1ccccc1C=NNC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1Cl 252602934 FMMSCSFTROIMHR-YPRZWMEGSA-N 519.045 5.506 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 254523569 MHDZEFJTOWOFCS-QFIPXVFZSA-N 615.756 6.162 50 10 KKGE COc1ccc2cc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c(Cl)nc2c1 254556253 KACUWYOZYFOQBA-UHFFFAOYSA-N 551.068 5.244 50 10 KKGE aggregator CCCc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(CN4CCSCC4)c3)c3ccccc3n2)cc1 254701526 OSURLYRFSRELBK-UHFFFAOYSA-N 538.717 6.176 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1OC 254835300 GRFCPAMPJTXEFY-UHFFFAOYSA-N 574.633 6.728 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C)C(=O)[C@@H]2Br 256019411 ZSXKEJHPKZQIOA-CHDQUJHISA-N 700.512 6.607 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Br)c2F)[C@@H](CI)C1 382685629 IKEUXNQKENSYHX-HOCLYGCPSA-N 518.164 5.375 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616585872 FQRQNBZZSNQKEG-VHTRFXSESA-N 781.016 9.435 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616590353 QXQZQDMMTWVWDX-MQUYGQGASA-N 654.920 8.706 50 10 KKGE C[C@@H](Cl)c1nc2cccc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705614950 DYGPMLHOORKWOF-HXUWFJFHSA-N 524.890 6.570 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1083918738 MIAGTMPULOFIJW-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1083991078 FTZBWSADTREOJP-QHCPKHFHSA-N 555.425 5.119 50 10 KKGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)CC1 1084014753 ZMEMYCSWJMGREM-UHFFFAOYSA-N 719.047 5.438 50 10 KKGE COc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 1084099645 PUKZUQHBCFVDLM-UHFFFAOYSA-N 580.382 5.738 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc(F)c1 1084138862 WLPSLKWBHDYMOQ-ZXVVBBHZSA-N 525.624 5.788 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F 1084186183 RUNDFPLNRABXRZ-MOSHPQCFSA-N 501.583 6.161 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1Cl 1084220988 XAAZUSCZIIIXRE-PXLXIMEGSA-N 566.883 5.946 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(F)cc1 1084270862 NDQSWAVCEZOBBX-LICLKQGHSA-N 519.787 7.309 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CSCc2ccccc2)cc1 1084442045 LGDRIACHEAHFJW-UHFFFAOYSA-N 516.666 7.616 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2ccc(C)cc2)cc1 1084536573 QRHCAVFEEAZRRG-UHFFFAOYSA-N 612.674 6.166 50 10 KKGE C#CCOc1c(CC=C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084604132 QHKNKQONGSYBJX-UHFFFAOYSA-N 517.629 6.356 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 1084613941 OWNBMWDESJCYTD-UHFFFAOYSA-N 632.742 6.172 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cccc(Br)c1 1084618348 TUJJCMHXMHFBHZ-UHFFFAOYSA-N 535.305 6.003 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](C)Br)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537959 CZPMLPQARRFNQN-OADXNIDJSA-N 537.692 9.728 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720711 SHAMSQSKZXUTFP-UHFFFAOYSA-N 660.816 5.459 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749119 QKXLXPADBCAHRR-UHFFFAOYSA-N 608.492 7.107 50 10 KKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772750178 WKSHHZJVLJESEQ-UHFFFAOYSA-N 514.409 6.000 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865690715 ZHIHZBXYWBGGNR-LJQANCHMSA-N 533.348 6.051 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694757 AXAUHFHGUXXHMB-SANMLTNESA-N 551.861 6.997 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700101 KZWLJYQYSBBXHX-VWLOTQADSA-N 525.971 6.099 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701575 YNBHWYOHLUGQFF-QGZVFWFLSA-N 530.220 5.409 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702733 CVKDHIHRTTWIHB-NDEPHWFRSA-N 508.597 6.129 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705666 BMELQIGZAQRHPP-HSZRJFAPSA-N 500.942 5.134 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710676 DXZJEJFZRFQUFA-HNNXBMFYSA-N 529.238 5.891 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866756793 NPGUGJOEESZQIQ-LJAQVGFWSA-N 541.623 6.426 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866994728 HRWCENQQHDTLBD-JWQCQUIFSA-N 526.489 6.672 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCc1ccc(C)cc1 1872793607 JXUMFEDSGJVWQR-OEAKJJBVSA-N 512.631 7.178 50 10 KKGE ClCc1nc2cc(Br)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 1997433351 RHBAWQSMCAJOSH-UHFFFAOYSA-N 517.298 7.284 50 10 KKGE Brc1cccc([C@@H](CI)OCCOCCOCc2ccccc2)c1 2007814906 ZZKWSWFTGFANPX-LJQANCHMSA-N 505.190 5.175 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Br)CCC1 2025779338 GFEDXRNVYRZBFJ-SNVBAGLBSA-N 575.158 7.334 50 10 KKGE Cl[C@H](c1ccc(I)cc1)c1c(Br)c(Br)cc(Br)c1Br 2141477170 MPBOYVBDWYCXQR-CYBMUJFWSA-N 644.164 7.669 50 10 KKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(I)ccc1Br 2146718805 KAHBFZCBMRMKHQ-HZMBPMFUSA-N 515.027 5.127 50 10 KKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1F 2168398783 AQFFMZMHNIPVKN-LBPRGKRZSA-N 513.970 5.880 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2172569449 MYHSRNVCWSCHGP-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1I 2179637252 SGTKHEAVGOXYNH-MFKMUULPSA-N 515.027 5.127 50 10 KKGE C[C@H]1C[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206398829 ZJQYPKGXIRYNTO-MOEZTCPLSA-N 598.793 7.376 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)sc(Br)c2C)cc1I 2218811112 VFIPUXIWZAHNTL-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccccc2I)c(C)c1Br 2227354760 XMVDDGXEIWTJJP-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2232223082 POOSCWRIZFXCBH-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2232508339 DOSNCMOHHLYJDE-NSHDSACASA-N 587.158 8.419 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1Cl 2232511186 PDERQJWYXNQZNL-LLVKDONJSA-N 587.158 8.419 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCCN(Cc2ccccc2)C1 2234065963 JQXRVNZMMLTCJP-MRXNPFEDSA-N 511.689 6.212 50 10 KKGE CC(C)(C)OC(=O)NCCCN(CC1(CBr)CC(F)C1)c1cccc(Br)c1 2280360123 RIMZANXEJNBNBP-UHFFFAOYSA-N 508.270 5.684 50 10 KKGE Fc1cc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c(Cl)cc1Br 2282907820 SZPPBPXELRFUAE-CYBMUJFWSA-N 509.797 7.234 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccco3)n2-c2ccc(Cl)cc2)cc1 2293730043 VVDKLTACDHLJPU-UHFFFAOYSA-N 508.003 5.487 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(F)cc1 2294619865 DOQJWVXFEQHMQG-UHFFFAOYSA-N 517.192 7.002 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)C(C#N)=Cc1ccc(-c2ccc(Br)cc2)o1 2295894362 TURSWQJGVDBROM-UHFFFAOYSA-N 542.558 9.641 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)cc1 2296506998 OJJBMCDPXDCGHQ-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2296707794 LHSANQQHAILEBC-UHFFFAOYSA-N 529.427 6.634 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2297373571 ABIBVAVSWYJYQW-UHFFFAOYSA-N 552.328 5.727 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)cc1 2313518816 UZLZQUWTWDQCIP-UHFFFAOYSA-N 538.385 6.123 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1cc(Br)ccc1OCc1ccccc1 2314449988 VGYDBQRJQAVPGW-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591979 IWRXBQHSZPJCDU-GDLZYMKVSA-N 523.702 7.019 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617196 SMIFICFQDMGLDQ-UHFFFAOYSA-N 644.772 7.351 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 2314643327 QJKUURCXXCBWLT-XIFFEERXSA-N 578.596 6.259 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 2314777492 HMLKPLBXXJNJRY-UHFFFAOYSA-N 541.025 5.393 50 10 KKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1I 2329697194 QOQDOHAPAOEZPI-UHFFFAOYSA-N 531.973 5.362 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331349041 LPNAVRMOZCPIQM-AREMUKBSSA-N 516.582 5.992 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc(Br)c1O 2331471887 PRLVZCZTLFGTRX-UHFFFAOYSA-N 521.820 6.412 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Cl)cc2I)c1Br 2365596798 BGXSHXITMCLBBR-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE Clc1ccccc1[C@@H](CBr)OCc1cc(I)ccc1Br 2367612430 XHLZYZZJXPPTCG-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE CCCCO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2377593141 DWWQAVSERZXGND-VHDGCEQUSA-N 518.027 5.291 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)/N=c1\[nH]c2c(s1)CN(Cc1ccccc1)CC2 33284880 SJZQXTADPIEMBT-UQQQWYQISA-N 506.631 5.248 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650872 XDNAIEKWMKABPY-JRPXNJEYSA-N 526.633 6.580 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc(OC)c1OC 38660591 HYTAYKLWVBKRGH-MHZLTWQESA-N 508.530 5.303 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1 38660857 IPCKHKOMCMIICL-PMERELPUSA-N 504.542 5.990 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 38686400 JBFATJXVXBBPDK-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 58892289 ZKRLDEAMHCMGHC-LLLIGWKVSA-N 516.594 5.055 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1COc1ccc(C(=O)OCC(C)C)cc1 97997759 TUADSYXUKRAHJQ-IPPBACCNSA-N 602.425 5.161 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 100227096 ZUNPJVAKFYHONL-LJIZRPCSSA-N 541.475 6.664 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)cc1 100227537 NSGQSOZCPVYXKS-NDENLUEZSA-N 572.830 6.776 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100288124 SHPHKKWKVCVFGK-LBPRGKRZSA-N 593.110 5.093 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 100327534 RRCSURVVGUJEMW-TYBAKLTESA-N 547.449 6.154 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245195 LRNGCZIQCRCSLI-KVILUOORSA-N 518.038 6.112 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 101337882 HSNQLSMDOVXMON-HWBIBUKPSA-N 500.639 6.788 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 101363822 JGONOCLOSVHBTC-SANMLTNESA-N 533.422 6.455 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 101374704 YAXDEKAEHNNMDL-YTTGMZPUSA-N 556.659 6.474 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101374903 KLFLBYPSPDJAQI-PMERELPUSA-N 546.595 5.852 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381644 YRVZCERUTCBTIX-HKBQPEDESA-N 534.568 5.477 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 101382115 CEJBCNNKVBDGJY-UYLYVOSBSA-N 570.689 7.709 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387876 HCIWNHPOHBWCKG-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)CC1 101399759 JIYIULHDIITHBH-WWYQIRGOSA-N 615.170 8.438 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)COc3ccc(Cl)cc3Cl)CCC4)ccc21 101611884 QWDDUDJXKBGNHW-XBQJKBNESA-N 603.506 7.511 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OC)c(Br)c1 101729478 GIYXPZKSBULYRE-DFMPKFEDSA-N 551.393 5.292 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(F)cc1 101906827 DOQJWVXFEQHMQG-NVMNQCDNSA-N 517.192 7.002 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 102416141 XULWCVCVKMXDMO-JXAWBTAJSA-N 610.917 7.459 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 103724806 WHBRJMGUHWXRNK-QUPMIFSKSA-N 523.203 5.746 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1I 103737849 IMMXSUJZVQVANP-LGJNPRDNSA-N 515.738 5.159 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Br)cc2)cc1 103741602 CMSCCVIJNXGPJY-GUNDDFSMSA-N 532.463 6.131 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103742071 IOYGNDVTHUKANL-QPSWJSTDSA-N 552.881 5.845 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2ccccc2o1 103876596 YLDSLMDVJIEGGW-KKMKTNMSSA-N 607.096 7.063 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429107 GGGBQJDJKRDJDD-YTTGMZPUSA-N 637.157 8.587 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 150430810 AOMACSJAHTXTBJ-GFTMIHTRSA-N 728.321 5.536 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442168 DWCLQFWIGUUPMZ-JGCGQSQUSA-N 641.507 8.463 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485391 JKRQAQSTGXYYOJ-YTTGMZPUSA-N 629.496 7.583 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1I 150619207 RWORPWLOCGYBQS-GHXNOFRVSA-N 670.026 5.445 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccco1 164018102 CXURZKVWJSOSIO-KCSSXMTESA-N 640.703 6.201 50 10 KKGE CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)no2)cc1C#N 202703358 GGQSSXUVEDANNG-NDEPHWFRSA-N 618.851 8.309 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217200144 CSNADTILSRANKV-JDXIPBLQSA-N 504.678 5.557 50 10 KKGE Clc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1 236047287 DXRDVQAURXODCG-AWEZNQCLSA-N 500.399 6.386 50 10 KKGE CC[C@H]1/C=C(\C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 252286787 KASDHRXLYQOAKZ-VTCBNJJSSA-N 810.466 5.719 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)c1 254296062 XLFDYAGTBUHDMR-UHFFFAOYSA-N 530.580 6.302 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(/C=C\c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 254568083 WUMPMFXIFJDDFE-PJQPDMOWSA-N 500.602 6.480 50 10 KKGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccccc2)cc1 254851931 BVPDDJIBHHTVTP-UHFFFAOYSA-N 522.608 6.548 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 254861059 ZPJGJSJRHLMJFI-YODFNRQLSA-N 594.584 5.283 50 10 KKGE COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256018956 CGSZWSGUUJIJOD-AFAVFJNCSA-N 544.509 5.973 50 10 KKGE CCCCOc1ccc(C(CC)=NNC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)cc1 263628054 LOFCWJXRHHJQBD-UHFFFAOYSA-N 514.069 7.841 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccc(I)cc1 311801393 DVQWVTTXJKFKCL-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE O[C@]1(C(Cl)Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 380981681 ISTHNDHHKHNGJB-DBQODPRFSA-N 623.573 6.851 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627082 KIELDCCFMKNOOM-LDQCCOPGSA-N 968.182 6.765 50 10 KKGE in-vitro Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)NN1CCN(Cc2ccccc2)CC1)c1cccs1 725238267 GHFNSNXOIAKHIO-HKBQPEDESA-N 589.161 6.011 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1 725426558 OOCMGXDGNSRXOA-XMMPIXPASA-N 622.887 5.895 50 10 KKGE CC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(SOOO)cc21 1082208726 KJAPCNUKFFDKMU-UHFFFAOYSA-O 892.041 7.440 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)Cc2ccccc2)cc1 1083862890 BSFVTZSEZZPYQP-UHFFFAOYSA-N 593.547 5.506 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C)c1 1084130564 BJWBDGDOOUPVPG-UHFFFAOYSA-N 508.372 5.462 50 10 KKGE Cc1ccccc1SCC(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084166958 GBDZUEFPJVJUEY-UHFFFAOYSA-N 512.404 5.056 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 1084174730 TUZWMTRIWIFJGD-UHFFFAOYSA-N 614.543 8.711 50 10 KKGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc(I)c1 1084447109 JSZHVSMGTUTMGF-UHFFFAOYSA-N 581.863 5.065 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084556827 ZTXXMXJXNHHDPN-XMMPIXPASA-N 622.887 5.895 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)Cc2ccccc2)cc1 1084564669 NEOAWACUYIDLDM-UHFFFAOYSA-N 592.121 5.047 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743427 AAKKHAXJXUWMMF-UHFFFAOYSA-N 570.447 7.489 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746961 BUBXWAPMMNSIFI-UHFFFAOYSA-N 510.934 5.271 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665557 ZODHPXNJFNZLJV-BMBDXGEOSA-N 597.722 9.946 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Br)c1 1865684564 RZJPLXMXVNWXHA-INIZCTEOSA-N 544.158 6.238 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865694677 ZASQKHHDCUOSCN-NDEPHWFRSA-N 527.024 6.089 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694763 AXWBLDPUJOWOAJ-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700930 HVINRZPZKXRHLW-KRWDZBQOSA-N 536.611 5.283 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701593 YYHMRFRJGPXHHF-SANMLTNESA-N 551.861 6.997 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707175 PVTMAVUHMORGGO-SSEXGKCCSA-N 571.722 5.365 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711704 GAABKEICGFFMTO-HHHXNRCGSA-N 538.604 5.159 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712946 MRYXRFVPRQQNMH-JOCHJYFZSA-N 501.905 5.517 50 10 KKGE CSCC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866849673 DSGYYFFMSDXFJR-FQEVSTJZSA-N 544.500 5.007 50 10 KKGE C[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867139790 RAJOVIHJWDLLHR-SBUREZEXSA-N 508.441 5.688 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)n1 1868301316 NTKQLUAWJJTZJH-FQRUVTKNSA-N 511.626 6.874 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@@H]3C3CCCCC3)nc(-c3cccnc3)n2)cc1 1868564862 FXRSZURRYONGJB-YTTGMZPUSA-N 557.727 8.021 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)CC2=O)cc1 1872743745 KHTZAPIOIAKAGF-KBAUQXGESA-N 519.670 7.665 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1C 1872744630 APPATYYOADLXAM-PNHLSOANSA-N 521.598 5.916 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccccc1Cl 1873499240 LKGTYTQOCLUMEY-RGKQAONTSA-N 502.011 5.025 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923054511 GOSVZLRLCITLGQ-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)Cc1cccc(Br)c1 1923065885 IMXQAEUQIHLRPN-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE CC1(C)C2CCC1([C@H](Br)c1c(Br)sc(Br)c1Br)CC2 1924571636 SUEVBKXJPMZZCY-MAOXSZOYSA-N 535.965 7.688 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1c(Br)sc(Br)c1Br 1924585443 LSSORVWKVBSGAT-LURJTMIESA-N 609.222 7.950 50 10 KKGE Clc1ccc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924593595 GHLBOYSPKXPIRU-SECBINFHSA-N 558.742 7.780 50 10 KKGE Clc1cc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1I 1925588720 PUMPXKIABOKUQU-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1951244609 PBPOMQUPWLCQQV-MRVPVSSYSA-N 511.899 6.288 50 10 KKGE COC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2002408399 OPNKAKPRMBESSL-AHXFUIDQSA-N 511.899 6.287 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1cc(Br)sc1Br 2026221134 JKTQFEUFOIMOBN-JTQLQIEISA-N 571.297 6.968 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 2030223048 SEBYSWHNLCVQAE-CYBMUJFWSA-N 520.455 6.815 50 10 KKGE Clc1c(Br)ccc(CBr)c1Oc1cccc(I)c1 2036848943 OECHWLZUJYWCOS-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE COc1cccc(NC(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)=C(C#N)c2nc3ccccc3s2)c1 2053622706 LNZWLDPUUIPRDR-UHFFFAOYSA-N 556.591 6.880 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1csc(Br)c1Br 2054163435 YTBHTIOXFBWBBL-MRVPVSSYSA-N 509.045 5.387 50 10 KKGE CC(C)[C@@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121070603 PCFXRBDZVWHYRV-LLVKDONJSA-N 516.857 5.647 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)c(F)c2)c1Br 2138852258 NCGHDYHUOPTZDH-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(I)ccc2F)c1Br 2138865653 NEPDXKHUBUXODG-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE CCc1nn(-c2c(CBr)ccc(Br)c2Cl)c(CC)c1I 2154374852 ACKOBLHJTKVATP-UHFFFAOYSA-N 532.445 5.913 50 10 KKGE CN(Cc1ccccc1)[C@@H]1CCCCN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179785223 JBVSYBZNXVUYLV-MRXNPFEDSA-N 536.355 5.081 50 10 KKGE Cc1c(Br)cnc2c1nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2184944806 VKADBHJUXVCEDJ-FQEVSTJZSA-N 539.905 6.273 50 10 KKGE FC(F)[C@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 2193247089 URSUGNAWPJNLPG-YJBOKZPZSA-N 501.746 5.318 50 10 KKGE C[C@H](c1ccccc1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404325 UMRJOELPECMOLY-ANRSDYALSA-N 546.322 7.820 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1c(Br)sc(Br)c1Br 2213772740 HPLQEOKKSSIAJK-ZCFIWIBFSA-N 588.804 7.652 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(I)sn1 2252835149 NSNFWDFZAKKNCY-SECBINFHSA-N 507.416 5.795 50 10 KKGE Clc1cc(Br)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277966973 XBPULOSXBOKUTO-CQSZACIVSA-N 532.295 7.306 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1C 2284536500 JOFMCANIZZSESH-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297477283 KTVVLIVRCXNIHT-UHFFFAOYSA-N 545.620 7.940 50 10 KKGE CCc1nc([C@H](Br)c2sc(Cl)cc2I)c(Br)s1 2301087746 BERODMMDVKWCPB-ZETCQYMHSA-N 527.472 6.272 50 10 KKGE Cc1scc([C@H](Br)c2cc(Br)ccc2Br)c1Br 2303652995 VAGFSHTWQKVWBQ-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1csc(I)c1 2313742543 GMBGRVPQPYIXPT-SECBINFHSA-N 544.836 7.045 50 10 KKGE Cc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314445317 QSLAXBCLEFLYND-NRFANRHFSA-N 527.627 7.269 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592048 KQZUOTCDQIEAEK-VWLOTQADSA-N 536.484 6.984 50 10 KKGE CCOc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617325 VZHBQYCHHCOOHV-UHFFFAOYSA-N 525.432 6.506 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618854 VPICCBHNJAFGGL-VWLOTQADSA-N 571.077 6.143 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314619889 GTXCTUKJTXEVBI-UHFFFAOYSA-N 596.684 5.055 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C(C)=C(C#N)C2=O)cc1 2314620379 ORPYUCJINXCLFB-UHFFFAOYSA-N 620.709 6.962 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2314643114 BYZJCLLWMISWRJ-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 2314643146 DYLGZVVFRIIESU-MGBGTMOVSA-N 578.596 6.259 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(OCc4ccccc4Cl)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487634 IWCLVDCIOAHHQU-UHFFFAOYSA-N 651.213 7.897 50 10 KKGE FC1(F)[C@H]2C[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]21 2329710180 PHMZCWOULCLYRV-MNCSTQPFSA-N 543.891 7.153 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)c(Cl)c1 2331046547 QSBIURBIZCQUPC-UHFFFAOYSA-N 508.018 6.969 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 2331402219 BDBSCSMEBSTLSQ-UHFFFAOYSA-N 507.955 6.415 50 10 KKGE C[C@H](Br)CN(Cc1ccc(I)c(Br)c1)CC(C)(C)C 2349858840 ZQJJZBCYGXYYTQ-NSHDSACASA-N 503.060 5.685 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2361200352 IXQHDWUKVRVBFV-HSZRJFAPSA-N 508.681 8.242 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Cl)ccc2Br)c1Br 2362225859 RXKDVASNOQVSAW-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362919488 VNLMNUMRGAGGFU-ZUVKVVCWSA-N 552.326 6.832 50 10 KKGE BrC[C@@H]1CCC2(CCC2)CN1Cc1ccc(I)c(Br)c1 2377328837 GOJJQWVHGHULOT-ZDUSSCGKSA-N 513.055 5.583 50 10 KKGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1960406 XZCDIOMGJAWBMF-WGOQTCKBSA-N 527.362 5.261 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1Cl 2336461 FWYKNXAYAOOBSF-GJFYNSNLSA-N 508.430 6.367 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 3657050 UUIUAXXYVQCLQD-YYUXRYEFSA-N 549.370 6.083 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14650729 KWJUEFIDOXVIDD-CYBMUJFWSA-N 518.235 5.409 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2ccccc2)c(Br)c1 14832353 BCYOFGOAEPIPNX-SFHVURJKSA-N 511.416 5.382 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701265 CYZYZOFXNIEJGH-LJAQVGFWSA-N 522.601 6.920 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 59117386 SDYBQKOWHYVGLV-WQRHYEAKSA-N 501.797 7.170 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 59232810 YHURLBRYYQHMIS-WOJGMQOQSA-N 508.328 5.491 50 10 KKGE C/C(=N\NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 59261173 FGEGTXQOMOQCFJ-AJBULDERSA-N 514.699 5.680 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cccc(Cl)c1 59460699 XDTODVOASBYHCJ-XHPQRKPJSA-N 500.805 6.170 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844210 ODXORKIZEJGVMY-VDDKIJCLSA-N 526.829 5.224 50 10 KKGE O=C(CCN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 101035786 NBFRJOZRDMDKNF-JXAWBTAJSA-N 537.132 5.261 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101333813 RKWORTSNIJMBSG-RDRPBHBLSA-N 542.639 6.427 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101337655 PJQQHUFVIMTCJE-IEIKYZJLSA-N 542.639 6.600 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101373764 SOUWRQIHOGIVBK-ROTAYESASA-N 556.659 6.589 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383785 WXWCEMIRGWCMQJ-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384785 OCADZOZHZHCNPX-HKBQPEDESA-N 601.486 7.392 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385770 JRWCTNDNICERHT-JGCGQSQUSA-N 597.067 7.152 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385919 LAXYVWRANICZPL-GMWXTNTRSA-N 625.121 7.642 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101386973 XKAGJXRTGPFUFP-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387047 SDDUHVAJGCSBOD-JGCGQSQUSA-N 582.584 5.624 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389711 IOXJSAPAQPEYAO-YTTGMZPUSA-N 585.031 6.823 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101395541 VYDLRSDGHLGQHW-NDEPHWFRSA-N 597.495 7.263 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OC)cc2OC)cc1 102219550 JRRUSAUSMKBPCH-STZFKDTASA-N 528.996 5.823 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1 103789653 LVJBNXKQKLBFJE-JJIBRWJFSA-N 546.465 5.683 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc2ccccc2c1 103797153 KFKLOBKJFSNJFW-DPNNOFEESA-N 569.455 7.429 50 10 KKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 103883930 UPDQCXYGZHMKPN-HAVVHWLPSA-N 529.471 6.561 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2OC)cc1 105066084 ARGDLVQVCSBNSA-ZSNJKBEMSA-N 621.517 7.743 50 10 KKGE N#C/C(=C(\C=C(/CC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 106065614 UNLZWHHCRAWVBD-WSGZFUHPSA-N 539.418 8.693 50 10 KKGE Fc1cc(Br)ccc1CC(CBr)(CBr)c1ccc(Br)cc1 118878525 VSKAYQQIALCLIY-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 150387373 UDBFNKWDVVRJHI-UHFFFAOYSA-N 628.170 5.087 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 150497628 HYJZLRDUMYPFSH-RUMWWMSVSA-N 647.757 5.515 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205659384 UXQGSKVMFHLNDW-GVHZNUNBSA-N 536.672 7.246 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205775613 JOWPRDSPMKLVNS-INFHVPRLSA-N 632.742 5.553 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206397213 BPOBRDSGUXNQOI-IFEPHKIBSA-N 593.680 6.399 50 10 KKGE CCCCCCCCCCCCC[C@H](NS(=O)(=O)c1ccccc1)[C@H](Br)C(=O)OC 207650724 UTAZLJFKNZZADI-VXKWHMMOSA-N 504.531 5.971 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C2=O)cc1 214401049 JAIQLEXOCWNPKQ-GTWSWNCMSA-N 572.665 6.170 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1Br 234971849 WWTRBYIFEYYTBM-CQSZACIVSA-N 560.849 6.309 50 10 KKGE CCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 252865686 QPSJMKIFWVWIGA-HOSYDEDBSA-N 507.842 5.294 50 10 KKGE COc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C=NNC(=O)c4ccccc4OC)cc3)c([N+](=O)[O-])c2)cc1 254492518 IJMXODKBLCADLC-UHFFFAOYSA-N 715.675 5.578 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccc(OCc2ccccc2)cc1 254620778 XBBBQHWRWUFWAN-UHFFFAOYSA-N 580.735 6.147 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C(C)=O)=C[C@H](Br)[C@@H]4[C@@H]3C[C@H](Br)[C@]2(Br)C1 605696680 IFHSHNSZFYAKID-CHXUOZLNSA-N 595.210 6.350 50 10 KKGE BrCC(CBr)(Cc1sncc1Br)c1ccccc1Br 719879405 OQKVHOWWRUNBGK-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Clc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(Cl)c(Cl)c1Cl 721617289 WZIZEPLELXLBQB-SNVBAGLBSA-N 589.707 8.152 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 725410368 VRNYWKKCKVMEEB-DEOSSOPVSA-N 580.306 6.698 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2F)cc1 725433230 QFHQNKGYQOISMU-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1 1083931582 AZGURCRVKGZOTC-UHFFFAOYSA-N 575.134 6.778 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084000438 ZDOVZBDMJNACLK-YZSQISJMSA-N 542.466 6.981 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084225913 ODBREOXYAAVEOI-UHFFFAOYSA-N 580.685 6.393 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084477821 CCJFMXDPNHJZKU-RUZDIDTESA-N 576.318 7.027 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 1084563998 RVMPKPITPMWISZ-XMMPIXPASA-N 511.416 5.391 50 10 KKGE COC(=O)C[C@@]12NC(=O)O[C@@H](C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)=C[C@@H]1OCOCc1ccccc1)[C@@H]2[C@H]1COC(C)(C)O1 1307258349 AYJZAWPVNWNSJY-WXFXLIMXSA-N 715.916 5.241 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)cc1O 1865681465 NVDYIPCRXOBWCA-QFIPXVFZSA-N 505.361 5.535 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688250 NWDXQVXPVZWDDG-MUUNZHRXSA-N 541.051 5.995 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865691505 UITTYVVEVISGSB-QFIPXVFZSA-N 561.839 5.810 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865701710 CJXWDYYKMSVAJS-HHHXNRCGSA-N 521.621 5.621 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702579 XDWYJHGVZOPHRG-HSZRJFAPSA-N 504.924 5.757 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702692 ZKQMVQOEIHBURI-FQEVSTJZSA-N 501.787 5.657 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865705170 NYAQMWQWUXFUMX-HHHXNRCGSA-N 507.594 5.334 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706096 NNMPLVMQGRZHMD-HHHXNRCGSA-N 559.041 6.401 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712947 MRYXRFVPRQQNMH-QFIPXVFZSA-N 501.905 5.517 50 10 KKGE CC1(C)COC[C@@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868208190 VGWIBXPUXUBHIJ-AREMUKBSSA-N 521.690 6.611 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)n2)c1 1868505858 LTLAZWCYCKXWKG-BCHFMIIMSA-N 527.625 6.574 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749085 AQBOIFVVVBIXIC-ATVHPVEESA-N 501.307 5.114 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872754318 NEPNSRIACWLCTP-YGUNMCQPSA-N 514.434 6.528 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OC 1872793428 ZNIYQUYPKVJXOU-HZHRSRAPSA-N 504.696 8.282 50 10 KKGE Cl[C@H](c1cnsc1Br)c1c(Br)sc(Br)c1Br 1900419252 ORNFZOJRBOEIBO-RXMQYKEDSA-N 531.314 6.583 50 10 KKGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915173334 XGNSHAZTUOIOFS-SFHVURJKSA-N 507.675 5.467 50 10 KKGE Brc1cccc(C[C@@H](Br)c2sc(Br)cc2Br)c1 1922940905 MLPMODIKXSXHDH-SECBINFHSA-N 503.879 6.714 50 10 KKGE Cc1nscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924570057 DNVPWWHGJSRMJQ-LURJTMIESA-N 510.896 6.285 50 10 KKGE CN(Cc1ccc(I)c(Cl)c1)C[C@@H](Br)COCc1ccccc1 1995480646 ZQKUJNGQWKDKLP-MRXNPFEDSA-N 508.625 5.357 50 10 KKGE FC1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2025783431 OHHWRCHFKJPJMZ-PACJAATDSA-N 558.703 6.921 50 10 KKGE C[C@@H]1C[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085494045 JTXJHIQLDSWJQW-OXOINMOOSA-N 570.739 6.598 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 2107099016 OYENTMPKJRGZED-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2141471515 SHKOASWMEIFOLN-XHNCKOQMSA-N 580.778 7.609 50 10 KKGE CC1(C)CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473217 MNNVCIVLNDJICI-HQJQHLMTSA-N 582.794 7.999 50 10 KKGE Clc1cc(C[C@@H](CBr)c2cccc(Br)c2)ccc1I 2142940684 PJCHNUDMAWUITG-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(OC)c1Br 2172569323 LTKXXZVKKONSBO-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2206395748 QCGKGFDAKZZHEN-QPUJVOFHSA-N 594.805 8.143 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2206401004 UNBBFHIKYFRIMI-XFWSIPNHSA-N 594.805 7.999 50 10 KKGE COc1ccc(OC)c([C@@H](Br)c2ccc(Br)cc2I)c1 2207273188 SDWRLQIMPOWUFT-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Clc1cc(Cl)c(OCc2ccc(I)c(Cl)c2)c(CBr)c1 2208038872 HJKUCCLFXDUQLK-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE Fc1cc(F)c([C@H](Cl)c2ccc(Br)cc2I)c(F)c1Br 2236111876 XBENUUBBZBDJRR-GFCCVEGCSA-N 540.342 6.562 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(C)ccc2I)cc1Br 2241003053 YNYFECJMPXTVIE-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243590924 MBYZCTIHCKERLM-ZDUSSCGKSA-N 506.609 5.761 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc2sc(Br)cc2s1 2263617357 FKQQTHZOPFFFMA-SECBINFHSA-N 507.519 7.687 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296734168 JBOHHXYXZNUWFY-UHFFFAOYSA-N 510.402 6.236 50 10 KKGE CCCCOc1c(I)cc(I)cc1C=C(C#N)c1nc2ccc(C)cc2[nH]1 2297319168 UHJWJLZQCIPKFG-UHFFFAOYSA-N 583.211 6.324 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1I 2301083993 NVZOVKOEJYWXGL-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1 2313521470 QGZRGDVONWZMKB-UHFFFAOYSA-N 586.857 7.085 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567144 HHXQUGDUWMURMT-UHFFFAOYSA-N 693.298 5.870 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568855 ZMADBXATQVGENM-UHFFFAOYSA-N 605.747 7.244 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630488 MEYIEBQBHKGECD-UHFFFAOYSA-N 587.326 7.693 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593235 JYFFQTAPMKDLQM-BVZFJXPGSA-N 518.038 5.652 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594047 YBKLRKOKAAHFTQ-SIBVEZHUSA-N 515.610 5.528 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4Cl)c3)C(C)=C(C#N)C2=O)cc1 2314617444 YMYYJXLCDAGFGR-UHFFFAOYSA-N 641.127 7.573 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617820 BLMXWWYVNFREEP-OAQYLSRUSA-N 510.565 6.157 50 10 KKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1OCC 2314754697 YUBMLODIUNZMCD-UHFFFAOYSA-N 530.577 5.318 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 2331063860 HZQOLHHBXNRJDV-UHFFFAOYSA-N 511.605 8.192 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 2331353934 ORNZJABNGHKPIB-RUZDIDTESA-N 515.635 6.364 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)ccc1OC(C)=O 2331362567 BJGYOSCCCXPYDF-UHFFFAOYSA-N 517.390 6.565 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1C 2331362883 RBGCUEHJSWXOTQ-UHFFFAOYSA-N 518.551 5.213 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2338561960 FZALRACJQUZNOU-CYBMUJFWSA-N 534.482 7.376 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(I)c1 2360437522 SAHKWGJAPVREAF-GFCCVEGCSA-N 512.346 6.967 50 10 KKGE CCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2cccc(Br)c2)cc1 20581798 JHSHMDVNFZUOSS-WBDLXYTISA-N 509.444 6.461 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29491576 XVCORLQHZFTCOI-YYADALCUSA-N 588.737 6.775 50 10 KKGE COc1ccc(/C=N/NC(=O)C2=C(C)Nc3ccccc3S2)cc1Cn1nc(C)c(Br)c1C 33355954 BTWLTRCHSGANAN-RPPGKUMJSA-N 526.460 5.219 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1cccc(I)c1 33623813 LQYYQUPYJYVHBR-LPYMAVHISA-N 517.370 6.398 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 35445998 DXKQLMYZLZWVPT-DIBXZPPDSA-N 510.597 6.972 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38660089 JDCIVDPRZVDGEI-MUUNZHRXSA-N 518.541 5.216 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38684475 JXLYLSHQNOEOEB-HHHXNRCGSA-N 504.970 5.640 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822807 OSFGXCJSGIMJQD-YQCHCMBFSA-N 526.681 5.764 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 40890510 RCCNUVGGGDKCSS-PFFUAXQRSA-N 526.589 5.335 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212163 VPKTXNYQRMNKGV-UHFFFAOYSA-N 545.433 5.578 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232651 IANIQYWONIJWOM-CIAFOILYSA-N 550.409 6.498 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 100984737 QFJPDEUFGKCPMD-LFIBNONCSA-N 512.226 7.659 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242189 UUTWDSFQGLQZRW-FYAMCCBRSA-N 506.027 5.799 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246226 XBRGUULPYZYMAZ-RAMZYJDASA-N 501.583 5.598 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 101336201 XCKBVYJSPFMLSS-OVVQPSECSA-N 570.665 6.265 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101336399 SXNSINDFYWDZJW-UXHLAJHPSA-N 557.654 6.152 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101340814 DWSOUVSGLXEMNT-MFKUBSTISA-N 544.998 6.731 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OCC 101340874 SWHYQHOXZHSUNQ-JJIBRWJFSA-N 521.057 6.880 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1Cl 101367166 DMOQBIBEPNSROJ-DEOSSOPVSA-N 541.387 5.847 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368333 XGJSDRZXKCETHG-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 101368609 HNNJKYSCGZCYQQ-XWIHLEKXSA-N 540.616 5.847 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCCC(C)C 101374853 AICLPMAYEQAHAM-NDEPHWFRSA-N 533.024 6.601 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCCC(C)C 101375228 KUNIJYDREUVFMA-MUUNZHRXSA-N 578.021 6.509 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379009 IJYILMAAMBCFHT-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1Cl 101385860 QOOXSCZKBWYBMP-XIFFEERXSA-N 597.067 6.747 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386123 ZXPGBIJZAWWFPX-LJDOSMTPSA-N 565.025 6.765 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386403 DJFCMHPHHAAKIQ-UUWRZZSWSA-N 611.094 7.254 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386424 WHHCZXIXLOQHJE-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101389190 ZSALPVXVVVHXRQ-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 101394188 DXJFTWUEHIMHSN-DEOSSOPVSA-N 615.922 8.096 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCCC)c(Cl)c3)ccc21 101395053 LWJWAQPKQIWLSE-MUUNZHRXSA-N 581.496 7.789 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101395394 PYAZVCDAYRWDRT-GDLZYMKVSA-N 573.045 7.410 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 101395448 NACXRIQIUJPUAQ-PMERELPUSA-N 552.627 7.065 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 101397154 IHFRCSXSZOBCGX-MUUNZHRXSA-N 573.114 8.341 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1COc1ccc(C(C)C)cc1 102353385 JGYBBLPGYCACEB-XKZIYDEJSA-N 542.661 5.887 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 102691076 APCQPYVNFUPFJB-ZHZULCJRSA-N 523.406 5.378 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)ccc1OCc1ccccc1Cl 103563165 IRODXNUZWBYCBQ-QXUDOOCXSA-N 572.061 6.271 50 10 KKGE Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103730486 CSGKKHOMBQNMOI-FLUNURKVSA-N 550.726 7.058 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485347 GBOBSDJXOCAWRI-HKBQPEDESA-N 648.455 6.692 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485366 DBUAPDQSDIOZNC-YTTGMZPUSA-N 631.512 7.807 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)CSc3nnnn3-c3ccc(Cl)cc3)cc2Br)cc1 163579559 JMIZGNOTFLMDPM-KVSWJAHQSA-N 650.784 5.971 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 164720254 HONQYJWZELDHRL-IUXPMGMMSA-N 642.118 7.794 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 164724073 IQTRUJPSADURDD-XKZIYDEJSA-N 670.288 7.482 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C2=O)cc1OC 214370312 NVHNUXSJMSQSHI-COEJQBHMSA-N 616.718 6.487 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)cc1Br 232344094 WVTCSLQHQSCHPU-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)c(F)c1 235001435 UZHMXNKNVKSQAO-CQSZACIVSA-N 517.933 5.825 50 10 KKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 235337224 JJKOBVDPQKXWGV-BMIGLBTASA-N 515.027 5.127 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1 252597537 CSHIHBBBWFFRMD-NRXXKQTOSA-N 532.431 5.529 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(/c1ccccc1)c1cccs1 253572492 QGALPLKHNRFNAJ-OAGTXPOXSA-N 502.669 5.187 50 10 KKGE CC(=NNC(=O)CCCCCC(=O)NN=C(C)c1ccc(NC(=O)c2cccs2)cc1)c1ccc(NC(=O)c2cccs2)cc1 254386902 YMCJEUHIZROJGC-UHFFFAOYSA-N 642.807 6.645 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254440247 AWAZAISIEAIOSR-UHFFFAOYSA-N 506.731 8.617 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1c2ccccc2cc2ccccc12 254495742 OVBQHFKJHUXIKO-UHFFFAOYSA-N 550.734 7.532 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)c3ccoc3C)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)c3ccoc3C)c2c1O 254514424 NHFUJRPWKYVYDB-UHFFFAOYSA-N 762.816 8.088 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254843099 YINJSCNJUOJYCJ-UHFFFAOYSA-N 524.573 5.656 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(C)cc1 256028316 FGZUWTLIMOCZFS-UHFFFAOYSA-N 583.533 6.106 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COCc2ccccc2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C 263632965 MUQPDVOQNCXNPI-UZEJMXSGSA-N 775.964 8.244 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cccc(Br)c2)C1 303741144 HCHRYDNNXYYQKF-SFHVURJKSA-N 510.210 5.170 50 10 KKGE Brc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 306054538 QOUWKSXXHBUYGT-NSHDSACASA-N 578.889 6.297 50 10 KKGE Brc1cc([C@H](Br)Cc2ccccc2Br)c(Br)s1 692423025 JXKWOYXMVSKELM-SNVBAGLBSA-N 503.879 6.714 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(C)c1Br 719577340 IGUWUUZTMVROFB-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE COC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 725417062 DNEARUTUWYZAFK-WXJVVRSYSA-N 539.997 6.328 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C 1083948757 YMIRBUUXMGETQS-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1c(O)ccc2ccccc12 1084168451 QRCYUGSIEIVWRN-UHFFFAOYSA-N 528.200 5.753 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1 1084622667 AHJOYMIVKKHDSO-VWLOTQADSA-N 709.322 5.709 50 10 KKGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718442 AZMWTPJALNOOST-SFHVURJKSA-N 576.289 5.225 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751812 NFQQRDHSGLJACL-UHFFFAOYSA-N 505.530 5.522 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1OCc1ccccc1 1772753614 URNNJPBPIUOGOV-UHFFFAOYSA-N 576.285 5.945 50 10 KKGE CC(C)c1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858672054 IBPUCMMVYUOXHU-FRKPEAEDSA-N 534.663 5.223 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865695131 KTKLBMKBTQSZDI-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696555 HHSVTCUBBVAEDN-LJAQVGFWSA-N 520.633 6.063 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865696658 PRCWJNMBYMDSJC-AREMUKBSSA-N 539.051 6.472 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697525 VRQGQUVRAZBSOO-SANMLTNESA-N 543.023 6.215 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704080 MOOYTNITNQSKPN-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866782225 OVCMCIWHXFJXSZ-LOYHVIPDSA-N 587.717 7.117 50 10 KKGE COc1cccc([C@@H](C)CC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867098079 XEMKPXXDDJZNJP-UZTOHYMASA-N 531.634 5.053 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)[C@H]2CC(C)C 1868432932 BLFMLSWWXGDZHI-NDEPHWFRSA-N 540.136 8.572 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)nc(-c3cccnc3)n2)cc1 1868565454 KBLVFBWHGRZOMF-HSZRJFAPSA-N 501.015 6.087 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(Br)c1O 1872793007 CRTHBQPFUHPAFD-WOJGMQOQSA-N 505.393 7.143 50 10 KKGE O=S(=O)(c1c(Cl)cccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915756091 VBCFYILQWRIVLU-UHFFFAOYSA-N 507.675 5.611 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924593112 CHEVGBMXVZVRRW-SECBINFHSA-N 582.775 7.591 50 10 KKGE CC(C)(C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924617243 ZSSILVAPXZVGNO-SNVBAGLBSA-N 523.954 7.688 50 10 KKGE Clc1sc([C@@H](Br)c2csc(Br)c2Br)cc1Br 1937735279 YOUDJNURLCYBGL-LURJTMIESA-N 530.326 7.235 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@@H]2COC[C@@H]12 2085492390 KSHJNMCQWVQIKJ-LLORDRAXSA-N 524.272 5.909 50 10 KKGE CC(C)C[C@@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495490 QVAJXALNCNMRTC-UHLUBPPHSA-N 526.332 7.699 50 10 KKGE Brc1cccc([C@@H](Br)CCc2c(Br)cccc2Br)c1 2113489047 KLDLKJFAQRLYTD-ZDUSSCGKSA-N 511.877 7.043 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)Cc2ccccc2)c1Br 2141468816 NXKRPQKKMDMWHU-SECBINFHSA-N 576.746 7.415 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2150493840 NFGTWGPKYIYDGH-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)c(Cl)s3)cc(Br)c2O1 2172559623 JERWXXHUJRERAJ-INWYIAFRSA-N 501.465 6.734 50 10 KKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398593 WOUDPBMMXMCCIL-LBPRGKRZSA-N 596.821 8.245 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206399344 GANMBGKEADMZED-NSHDSACASA-N 615.154 8.013 50 10 KKGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(Br)cc1I 2207260013 DOETYVUTTMQAEK-CQSZACIVSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(Br)c2)c(C)c1Br 2235603121 HMBLNMGLQKOTHF-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cc1nc(I)c(I)n1-c1cc(CCl)cc(C(C)C)c1 2265953005 DETJQZODKIWBOH-UHFFFAOYSA-N 500.549 5.252 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)cccc2I)c1Br 2267744094 JOMFJKCMWBMBTB-CQSZACIVSA-N 562.840 6.748 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 2277879838 UINZBXOIIZBLMZ-ZCFIWIBFSA-N 519.427 7.491 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2293202183 RIFHQJHSZDVSRH-UHFFFAOYSA-N 514.478 7.545 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)cc(Br)c1O 2293968689 XAOHDKLOSHLMHI-UHFFFAOYSA-N 613.940 5.974 50 10 KKGE CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 2294815239 ZUTUXWMYGVBMNN-BGISQPRESA-N 519.849 5.524 50 10 KKGE O=CNC(=C(S)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497937 KVSPBHWEDWXAFZ-UHFFFAOYSA-O 507.040 6.229 50 10 KKGE O=C(Nc1nccs1)C(NC(=O)c1ccccc1)=C(Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297515835 KUFQGCOJRBMAET-UHFFFAOYSA-O 569.046 5.914 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1C#N 2313568868 ZUZOIXBEENXVJX-UHFFFAOYSA-N 518.617 5.130 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@H](CC)C2 2314571737 LDNRIUOOOLPZTH-HNNXBMFYSA-N 543.472 7.552 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593002 FPPAUWPZTHSWCL-RUZDIDTESA-N 586.035 6.500 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314594092 YYCUWXRBZPABBE-SKCUWOTOSA-N 509.675 6.422 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314610015 BXBFPHIUZKSYPD-QFIPXVFZSA-N 577.084 7.162 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314611651 YMQLMXUIKARTKM-UHFFFAOYSA-N 508.622 5.883 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314611691 ZBZAAKJCVNDKTD-QFIPXVFZSA-N 583.714 5.105 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 2314616742 IVBHODDNRJWAJL-UHFFFAOYSA-N 579.012 5.722 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OCC)cc1OC 2314736130 WNDKNXAGRJKEQK-UHFFFAOYSA-N 507.583 5.752 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(I)ccc1Br)C(=O)OC(C)(C)C 2319213465 LYWFWNXOYCWRAP-GOSISDBHSA-N 638.122 6.021 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc4c(c3)OCCO4)n2)cc1OCCC 2331293514 UEFINAVXIRHCOB-UHFFFAOYSA-N 504.608 6.665 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1C 2331382870 QJDGLQIRQZOMCO-UHFFFAOYSA-N 516.044 5.051 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OC(=O)c1ccccc1 2331479102 VWXHXXWURFLCLX-UHFFFAOYSA-N 508.643 7.708 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCCO[C@H]21 2333303596 LOAOIQRVFYRWBR-AUDJYANZSA-N 538.299 6.442 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2364050604 HXQDWOYSKNEKJX-MRVPVSSYSA-N 724.503 7.479 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 38606760 ACVRDJHUBZMFLC-CVKSISIWSA-N 515.573 5.044 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38650703 UXUSHDCSYRXDDD-HHHXNRCGSA-N 504.970 5.640 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650717 CGHSRUCRGQWSIB-ACSYHNTCSA-N 512.606 6.190 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(Br)c1 38651497 MEYMTTJGVQZRQV-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678916 LZFXDBCJSDVLAB-CPJLOUKISA-N 519.395 5.603 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38688112 JPOHDSKLIDPEGK-OAQYLSRUSA-N 503.923 5.900 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 59117408 OYXNDRYESPPDAG-BOPFTXTBSA-N 515.780 6.810 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 97447322 DDCBLDPUIXEGRA-LGMDPLHJSA-N 505.552 5.906 50 10 KKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 101022520 ZJFQVVNPXOQXQH-XIEYBQDHSA-N 534.541 7.771 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240846 VYCKGQYCOVPGEG-IEQIIXMPSA-N 502.039 5.645 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242201 ZKJBEZNUCXWTHA-GOHCDNDPSA-N 540.472 6.452 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101339001 WZTQGBOZCCINRD-RSAIGHIKSA-N 623.779 5.885 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 101339768 YMBNKGJSTOCBMP-VXLYETTFSA-N 507.329 5.775 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101368232 YRSVSJSMUSXUSP-LJAQVGFWSA-N 593.474 6.085 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 101376253 PLJMCETWPGNOBU-AREMUKBSSA-N 533.422 6.455 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384042 UEEZRSQRDPIAJC-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387030 OFHFCGSRQCVFRJ-HKBQPEDESA-N 552.558 5.616 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389747 HCMLVRMYYHTQBE-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCC(C)C 101395583 ORKYRHZHRFQMCQ-GDLZYMKVSA-N 552.627 6.839 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(C)cc6c5C)ccc43)cc2)cc1 101397517 AIVCUTGSWVLBNK-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399521 XVRMOPHOBWENDV-YTTGMZPUSA-N 590.607 7.214 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599477 MBEPUZDVWLGVAZ-LQKURTRISA-N 535.225 6.380 50 10 KKGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1C 101631383 IEQZDGCPIDFLAS-OLFWJLLRSA-N 526.818 5.165 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(=O)OCC)c1C 102924548 LTIYPQYKOKHGHI-FOWTUZBSSA-N 527.624 5.527 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Br)c1OCc1ccc(Br)cc1 103452725 JFZPZTZKFZAPEB-YVLHZVERSA-N 556.279 7.473 50 10 KKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 103649533 OHEGBWZDXHHEOT-WQRHYEAKSA-N 519.976 7.131 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1OCC(=O)O 103740780 FYXZQLPJHMNIPP-ZXKDJJQISA-N 546.643 5.668 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1C#N 103877531 DSZBRLJETZEIGH-AMVVHIIESA-N 597.263 6.571 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C)c1 103880049 DFVGBQTZILILLS-MZJWZYIUSA-N 540.357 5.697 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 105071637 FXHIDFOYMHFWIP-JWHWKPFMSA-N 559.755 6.815 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 109562132 DPHRPGAFRIBYIU-YMLINEMLSA-N 576.682 5.261 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1 150382848 FFSJZSACFLRUOT-ZZXJHYAVSA-N 643.319 6.750 50 10 KKGE O=S(=O)(CCl)Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Oc1ccc(Cl)cc1Cl 196594850 VVPZFZNIAYRMIO-UHFFFAOYSA-N 504.433 7.337 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214317508 FLZIGPLIGYYJGV-IPHFVPNQSA-N 616.677 7.657 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 214363402 HDZHLSUYVIOMQF-XYGWBWBKSA-N 524.596 6.002 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 214408952 ZPVSSDWRSMLVPH-YSMPRRRNSA-N 528.543 6.217 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc2ccccc12 252622368 NTYCECDLHKACFD-GOSISDBHSA-N 596.498 5.465 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254320493 RKNIEVXPWLWCEG-UHFFFAOYSA-N 516.601 5.956 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(O)c1 254351687 OJDJCHOEHNLGFL-UHFFFAOYSA-N 528.682 5.345 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c3ccccc3cc3ccccc23)sc2c1CC[C@@H](C)C2 254875286 ZOGCTVFYUNDNOV-QGZVFWFLSA-N 513.619 5.445 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)[C@H]2Br 256022790 AWQRXCSRXXQFHG-UVBJJODRSA-N 548.928 6.618 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1 256028383 IRJVJUSZNHOIFE-UHFFFAOYSA-N 504.637 5.425 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Br)c(Cl)c2)c1Br 312375026 MBRVUVMUXBYREE-VIFPVBQESA-N 513.398 7.430 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390633291 JCKPLRNTKUOQTD-FQEVSTJZSA-N 543.880 7.033 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2I)c(Cl)c(Cl)c1Cl 405107948 YDMHXIWPTOHLHV-JTQLQIEISA-N 589.707 8.152 50 10 KKGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)NCCSSCCC(=O)O)c(F)c1F 504144106 FJKANRXSLHOXFW-SZVHVWOVSA-N 979.159 5.621 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(O)nc1=N 504221905 XGPDFZUJNISNHI-ZLNRFVROSA-N 600.038 7.290 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591404 YXADDVIQROVGOJ-LILXYRQWSA-N 630.892 6.196 50 10 KKGE Brc1cc([C@@H](Br)c2csc(I)c2)cc2c1OCCC2 709712452 MOYHGQYRHRVAGJ-CYBMUJFWSA-N 514.020 5.925 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 725236947 LAVNQRWLLQGEIB-BAQPUJNESA-N 995.611 5.842 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(CCC(=O)OCCc2ccc(O)cc2)cc1O[Si](C)(C)C(C)(C)C 725239659 TZLMVNIHVYDAAY-UHFFFAOYSA-N 530.854 7.879 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1083942522 JZKYYDHEYHXGDZ-UHFFFAOYSA-N 530.628 6.411 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(Cl)cc2C)cc1 1083944832 CMKXJOSPXAXGJY-UHFFFAOYSA-N 567.086 5.849 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1 1083952223 ADVSNGJGVIARAD-UHFFFAOYSA-N 592.073 5.271 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)cc1 1083998345 QAGWAYXGVVTCKW-SANMLTNESA-N 569.496 6.098 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084038770 FEZLZAFROMPYHF-UHFFFAOYSA-N 660.536 5.672 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1084100990 ASSVRYIWGKBCDF-MFOYZWKCSA-N 546.794 7.078 50 10 KKGE Cc1ccccc1SCC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084107362 RYTMWCXJIPWMKA-UHFFFAOYSA-N 541.414 5.293 50 10 KKGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1 1084161481 VWDZYUGSKROVMK-UHFFFAOYSA-N 611.507 5.357 50 10 KKGE COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1I 1084192766 HTNJFRGPTPOJDG-AUWJEWJLSA-N 558.157 5.067 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 1084212140 LEVQVYOPUFJWLG-QHCPKHFHSA-N 585.451 5.128 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084326943 UWMBRWMATLCVPP-UHFFFAOYSA-N 542.919 8.111 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)c2ccccc2F)cc1 1084332994 OLTLHZIEHNMSQZ-UHFFFAOYSA-N 531.609 5.059 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1 1084469511 MSTBXAVWJCIQRO-UHFFFAOYSA-N 622.143 6.062 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 1084479180 IBVLIBVPOZOILN-UHFFFAOYSA-N 530.355 5.358 50 10 KKGE Cn1c(Cl)c(C=NNC(=O)CSCc2ccc(Br)cc2)c(C=NNC(=O)CSCc2ccc(Br)cc2)c1Cl 1084509642 ZVAHZQXQYRIIIB-UHFFFAOYSA-N 720.340 6.624 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653300 WHPCDUNSENHWIR-VXFDCLNWSA-N 518.038 5.652 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)ccc2F)C1 1614691873 JJMBCUQIEXOLSW-RHSMWYFYSA-N 507.265 5.632 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1ccccc1 1772719720 PMXKVXNWCXBDPJ-UHFFFAOYSA-N 547.405 5.749 50 10 KKGE COC[C@@H]1C[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CC[C@H](Br)C4=O)N(C(=O)OC(C)(C)C)C1 1775937618 RNASTNSTOJLQQE-XATISFHKSA-N 628.516 5.136 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(Br)c1 1865684083 MVEJAMDYDYDSMW-LJQANCHMSA-N 511.301 6.025 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCCc1ccccc1 1865687825 BAXGQJUQYGNHGO-SSEXGKCCSA-N 520.633 5.705 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688615 WSERNEAMICNWNS-SSEXGKCCSA-N 550.659 6.338 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865692174 JXYBHQRHTPSHBK-VWLOTQADSA-N 571.475 6.707 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692758 PDEBFVWMVNQGLE-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OC 1865695333 BMQMKZLZUMNIDT-LJAQVGFWSA-N 568.649 6.542 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697431 SHGRKRZXNHKUMP-MHZLTWQESA-N 507.594 5.068 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701502 WZKRJTDPKCBTFP-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702613 BZCWCAUMJMMAGL-SANMLTNESA-N 565.888 7.251 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703016 KVVCLCUGOQHHSR-RUZDIDTESA-N 537.834 6.938 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703889 IAZCDOSYDAGAHE-SSEXGKCCSA-N 533.031 6.844 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704236 QZKXZHSSDUANMW-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709173 PWXMPOVWANSYNH-QHCPKHFHSA-N 512.953 5.177 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710643 DFQGZPUIBNJRKQ-QHCPKHFHSA-N 502.496 6.093 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866663543 UONCZXGGIXJTNC-VWLOTQADSA-N 549.027 5.924 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(OC)cc3[C@@H]2c2ccccc2)n1 1868253682 PYYJIXKPBZYBKR-PMERELPUSA-N 523.662 6.143 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3c3cccc(Cl)c3)n2)c1 1868506594 ZVBWMUKOODAOOR-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(C(C)(C)C)cc4)c(OC)c3)nc2c1 1872728500 GBAWJPPRSMMGPH-HYARGMPZSA-N 523.589 6.071 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1903846636 KASDHRXLYQOAKZ-MKHVBWNNSA-N 810.466 5.719 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923054407 FDGRPJAHEGVJEX-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2c(s1)CCCCC2 1923074282 JOHOYZSHMCWYGD-NSHDSACASA-N 519.549 7.741 50 10 KKGE Cc1csc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 1939884139 VFXVCWATFXSXAV-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)CCN1C(=O)OC(C)(C)C 1999516069 XISNNDWOUNFDNL-UHFFFAOYSA-N 504.510 5.427 50 10 KKGE FC[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779793 LSLHVNKOXZPZCS-LNJITKNMSA-N 514.252 6.622 50 10 KKGE Cc1cc(C=C(C#N)c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 2042446032 NOGZWLSQTQMBHN-UHFFFAOYSA-N 528.987 7.420 50 10 KKGE C[C@H](N[S@@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C 2080762633 HUPHIJGZTJYATN-FPOUCGFGSA-N 541.697 6.989 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(I)sn1 2082860158 YRKYCPIKEGFWNC-JTQLQIEISA-N 523.415 5.657 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCC[C@@H]1C2 2085491977 DGTNYXHSSQFYKP-SMOQUIODSA-N 522.300 7.207 50 10 KKGE Brc1ccc([C@@H](Br)Cc2ccncc2Br)c(I)c1 2086149892 TXRVVLAECTWHPR-NSHDSACASA-N 545.838 5.890 50 10 KKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br)C(C)(C)C 2123272416 ZKWUZRIQSLZEEC-HNNXBMFYSA-N 503.300 5.970 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nn(C)c2C)cc1Br 2131590032 KQWPSOKQUVDDAU-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470398 GTBGUQCFSUZVLO-SNVBAGLBSA-N 618.208 7.592 50 10 KKGE C[C@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141478641 YOWYQXNRBBSCCJ-XCBNKYQSSA-N 540.359 8.089 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1c(Br)cccc1Br 2150494370 HJVLLTPFMXPMSL-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)s1 2167385889 XMNFSHLTGJYZKM-ZDUSSCGKSA-N 503.481 6.866 50 10 KKGE COC[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@H]1Br 2222476387 YNMCDAREQGSNFO-GJMOJQLCSA-N 525.926 6.329 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 2227354937 LDSLLNSXFLLTJK-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2235615743 VEEMSAUFUZMYLE-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(F)cc(F)c(Br)c1F 2236106059 ARBHGRGTIUTQFG-LLVKDONJSA-N 523.887 6.094 50 10 KKGE FC[C@@]12CC[C@@]([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2274670438 DGSMYVBJSALRRF-ZHAHWJHGSA-N 541.900 6.380 50 10 KKGE N#CC(=CNc1ccc2ccccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295882840 IHHPCCNMDZIJIE-UHFFFAOYSA-N 500.377 6.809 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 2297367877 QGOWQWISXDJIRM-UHFFFAOYSA-N 531.410 6.033 50 10 KKGE CCOc1ccccc1NC(SCc1ccc(C)cc1C)=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2297414616 ZPKWKUKEQORDIG-UHFFFAOYSA-N 545.705 6.159 50 10 KKGE N#CC(=Cc1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N 2297624393 WTMXQQMFXBZRIM-UHFFFAOYSA-N 529.604 5.758 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313570857 HVGGKLCLUQKASF-UHFFFAOYSA-N 576.230 6.587 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1c(Cl)cccc1Cl 2313631551 RWHGDFUVGSXSMA-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(C)c1Br 2314445139 PXFRQVAPRLYGHD-LJQANCHMSA-N 500.683 7.797 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314592988 FLZJHXPNNARZDK-QHCPKHFHSA-N 526.445 5.946 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 2314634349 GRWUHFKZMPPUFX-AREMUKBSSA-N 553.398 5.856 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 2314640702 PAMIQHSOSSEBPT-HKBQPEDESA-N 534.999 6.756 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331325268 DKZUCZGSENNVRW-NPMXOYFQSA-N 503.580 5.331 50 10 KKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2364262863 GJRSHWRULUWBAY-NRFANRHFSA-N 555.104 7.478 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2380929542 AHFSDBDXLQPBOD-AWEZNQCLSA-N 501.509 7.796 50 10 KKGE C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 20311527 RAXRMQHOVSHZPM-HRJIBFCWSA-N 503.396 6.099 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)cc1 33399766 SKCPOVZZXZJQJB-YKMWHWIESA-N 502.039 6.330 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685457 LMAHGYUMZLLZDJ-HMILPKGGSA-N 516.569 5.986 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)c(C)c2c1 38700565 RSNHGMXBODTLQZ-DEOSSOPVSA-N 519.384 7.048 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 40846891 JSLLSDBESCMIRB-DPNNOFEESA-N 537.100 7.171 50 10 KKGE O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912336 CATUILBJKRGMPI-RPPGKUMJSA-N 508.199 5.864 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 59305022 RKZYJMPMTMHZCE-FADJLKOXSA-N 529.640 7.113 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCC(C)C)c(Br)c3)cc2)c1 100180967 NTUBNFKERMIUFH-UHFFFAOYSA-N 538.442 5.510 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)N/N=C(/C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100287639 WIZYNIUJOGGSEW-COEJQBHMSA-N 587.098 5.621 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)c1 101013620 XQOQJDWGPMACRA-QQTULTPQSA-N 564.715 6.301 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@@H](CC)C2 101193859 LDNRIUOOOLPZTH-YHZJOHHESA-N 543.472 7.552 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240842 VYCKGQYCOVPGEG-UZEPBSNMSA-N 502.039 5.645 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 101339195 WUVBDUMLOMTFCO-TWKHWXDSSA-N 602.691 6.099 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101340908 YMKGKHPFBXPCQP-FSJBWODESA-N 537.830 7.018 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 101363395 KLKYOZCXAQSFAY-KRWDZBQOSA-N 605.088 7.810 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381235 HTUBSSFHIQCCLK-HKBQPEDESA-N 601.486 7.797 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383379 URKGUVVBDVYKTD-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 101385659 NHNDHRNBXKAQSK-GDLZYMKVSA-N 583.984 6.273 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387084 LUBZOJCMTXVDJH-GDLZYMKVSA-N 591.422 7.157 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)oc2cc(Br)ccc12 101391282 ALJFLNAKZIFAAB-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101399766 HUNGYANNZFQASO-HKBQPEDESA-N 617.485 7.417 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 101684692 WKAUAIVUUWSXID-WOJGMQOQSA-N 529.431 5.171 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1Br 101713256 ULBJMCKBKHHYPI-VULFUBBASA-N 532.232 5.806 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 101730198 MPXLOWIDCLIQFC-HEPXYTLMSA-N 597.668 6.382 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccnc1 102861748 BKBMXWMRQVBKSI-IMRQLAEWSA-N 511.585 5.737 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)ccc1OCc1ccc(F)cc1Cl 103563410 LALCFYDNLVRGKF-KVAAJVFYSA-N 576.024 6.157 50 10 KKGE CCOc1ccc(/C=N/NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1OC 103707000 LZPDYKCUCBCQLE-KCSSXMTESA-N 584.723 6.072 50 10 KKGE C/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NN=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 105854438 KGWCUHOBQSWZBY-FLWNBWAVSA-N 583.740 7.016 50 10 KKGE Clc1ccc(C(CBr)(CBr)Cc2ccc(I)cc2)cc1 118876838 DWCGMBSYUQITDO-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)oc12 150411575 KGMDNFHSJBQIMU-MODQRLIRSA-N 630.682 5.211 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 150442964 LGSGGSORCKFBNY-JGCGQSQUSA-N 635.475 7.313 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463855 XIDNJIDPXKONPS-WZZLWENWSA-N 690.822 6.424 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 150482033 NFTRRZSZXPYGDN-PMERELPUSA-N 635.931 8.452 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 150497414 PBCUXLRPJOMDHK-DPNNOFEESA-N 675.572 8.226 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498040 WNVASWKCVVHYOC-QGPQOMRASA-N 645.785 6.313 50 10 KKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Br)ccc3Br)cc2[nH]1 161100492 CCFUWZLMXKDARK-ZDUSSCGKSA-N 539.847 5.628 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214392760 PHCGHXMROKIHAO-NVMPUMLXSA-N 600.719 7.299 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1 232343672 MGMGQFRDJHNYNK-CQSZACIVSA-N 516.398 6.200 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 233784400 IUIWOCBRUCNVCW-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1I 236230138 NQJVVOWBBCOYLU-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1OC 252584381 ADEBGCPTCVGTOS-WTSFKKHRSA-N 521.485 5.403 50 10 KKGE CC(=NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1)c1cccc(NC(=O)c2ccoc2C)c1 252606290 GQMOETZSSHEBJB-UHFFFAOYSA-N 526.376 6.473 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C)C 253564826 GYWPAGNYVCMOFO-HNSNBQBZSA-N 579.734 5.032 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254289368 KNZCKDDDFMIXHW-UHFFFAOYSA-N 513.667 5.791 50 10 KKGE O=C(NN=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1cc(-c2ccc(O)cc2)nc2ccccc12 254506770 FDMMLKMTWANTRY-UHFFFAOYSA-N 564.567 7.393 50 10 KKGE O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)/C(=C\c4ccccc4)NC(=O)c4ccccc4)nc3c2n1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 254704652 OMXMYKQQAJTHGN-JBHCLDLISA-N 762.830 6.625 50 10 KKGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1 254758417 HSOJHLCVUNOMBD-UHFFFAOYSA-N 530.584 5.051 50 10 KKGE C=CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OCC)c2)cc1 254762025 AKTLWBRNPOLOSZ-UHFFFAOYSA-N 502.567 5.422 50 10 KKGE CC1=CC[C@H](/C(C)=C\c2csc(C)n2)C(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCC1 255974469 GNAPAUDDSROWCR-ZSUFWYTKSA-N 732.233 11.168 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccccc1Cl 256017220 PIIWOSLIGQWMJI-UHFFFAOYSA-N 543.063 6.783 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1 310119740 UUYXIBSEACSNOH-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616588744 MHNHIGWCUNOEFZ-SYJCBOMESA-N 578.822 7.136 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccc(Cl)cc3)c2C)c1 725419450 YUZVSOKAJCMRIN-UHFFFAOYSA-N 518.908 6.759 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084034387 PEYZCIOVEKTAFZ-UHFFFAOYSA-N 520.618 5.151 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(I)cc1 1084073720 SUJLNOFAIBLFBH-CXUHLZMHSA-N 555.210 5.027 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 1084074965 HDZWILHBGIJSNL-UHFFFAOYSA-N 667.493 6.394 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1OC 1084288787 XGWFVMVVKAJYRU-UHFFFAOYSA-N 592.117 6.215 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084302018 PYGJAVBPYSJWNJ-CJLVFECKSA-N 583.857 5.779 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1 1084377821 CZLXNQJNWWLPSE-UHFFFAOYSA-N 590.749 6.870 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084549609 LXNLWRMXMNXPOW-MUUNZHRXSA-N 585.528 7.062 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614616463 REDHWXUGIGRKDV-HOTGVXAUSA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744091 SLJHQXJPWSQNGZ-UHFFFAOYSA-N 512.997 6.195 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccoc3C)CCC4)ccc21 1772750125 XZXKBCSKVDXTNT-UHFFFAOYSA-N 508.578 6.340 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1O 1772753809 JYTDZJQHVHMZHU-UHFFFAOYSA-N 528.241 5.143 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(C(C)C)cc1Br 1772754121 PYVUIMIQUMAGLV-UHFFFAOYSA-N 518.455 6.413 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434927 OYSKUZDIHNKWLV-LYFJQLKASA-N 663.406 6.422 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665455 JWEOPRVXJUYGSP-FZDBBNTKSA-N 549.678 9.359 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686756 ZTYLAIXMGSMHPK-JOCHJYFZSA-N 572.279 7.439 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865687512 STJDXHCEPNXROI-HKBQPEDESA-N 556.666 7.488 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688317 PBHCRLZECZTLCX-SSEXGKCCSA-N 564.686 6.719 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688381 QSYGFZRZHFAKDY-LJAQVGFWSA-N 520.633 5.982 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1ccc(Cl)c(Cl)c1 1865694489 YOKPWIBDGVVKCP-QHCPKHFHSA-N 527.452 6.206 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c2ccccc21 1865699456 UTVLSIPFLDALGY-DEOSSOPVSA-N 512.400 6.556 50 10 KKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701568 YHRUVTUKABVKBP-HSZRJFAPSA-N 503.389 6.191 50 10 KKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865702726 CQDXNHCZBGMHBG-DEOSSOPVSA-N 527.452 6.358 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 1865703031 LGADXZACSMYRDM-NDEPHWFRSA-N 579.459 6.882 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703095 MWPMIPJKBKIFQQ-SANMLTNESA-N 514.988 6.083 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415577 ZKHUMXJMCZBTQE-XMMPIXPASA-N 500.027 6.692 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C(C)C 1872753799 NFZWVARKLIBZOX-WFZDMMLVSA-N 501.652 6.653 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 1872756048 BKFPQVOBSIEPRV-KQWNVCNZSA-N 512.975 5.939 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)CC2=O)cc1 1872757380 CQERDOFOHUSJTP-KOAPHTDDSA-N 508.043 6.660 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 1872792347 SVCGCSKFVCOQQE-LZYBPNLTSA-N 503.393 6.582 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1csc(Br)c1 1923070996 GGNQORQBKISWHZ-LURJTMIESA-N 530.326 7.235 50 10 KKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924614767 QXILXHKSKKPQRB-RITPCOANSA-N 531.880 7.297 50 10 KKGE CC(=O)[C@@H](Br)[C@@H](C)c1cc(Br)c(I)c(Br)c1 1938596332 MTEMRUBMRMJRMV-RRAGMBSWSA-N 524.816 5.272 50 10 KKGE C[C@@H]1CC[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)O1 1998140318 JXBYLFZLFCSEKY-QYNIQEEDSA-N 511.899 6.429 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1I 2030222326 QLYOTQBIDTVHIE-CYBMUJFWSA-N 564.906 6.924 50 10 KKGE CN([C@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12)[S@@](=O)C(C)(C)C 2080748536 ZAOBJUBMZVUTAS-BAOFOTJISA-N 535.693 7.081 50 10 KKGE Brc1ccc(C(Br)c2ccc(Br)cc2Br)c(Br)c1 2083332598 BVFYIJGTIPRSEA-UHFFFAOYSA-N 562.719 7.221 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CC23CC3)c1Br 2086421736 PBJHHHVITFUFBN-RQJHMYQMSA-N 566.751 7.363 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2148753836 XVJFSVIXOQBUGQ-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2nn(C)c(Cl)c2Br)c1Br 2201064919 LTJOAOXRZXNXFK-NSHDSACASA-N 505.863 6.306 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23CCCC2CCC3)c1Br 2206400089 PFAJATLHFCFXIS-OOCCNLOMSA-N 594.805 8.143 50 10 KKGE Cl[C@@H](C[C@H]1C[C@H]2CC[C@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2206404568 AYFHHSITIMXANA-UOKLYIGXSA-N 550.354 7.843 50 10 KKGE C[C@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234059005 HNTZNBYQFXNHNH-VBKZILBWSA-N 511.689 6.383 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Br)c(Br)s1 2247986863 AUUGUXCXWDDHKO-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2256339915 YZBAUVWLVBAZRW-SNVBAGLBSA-N 540.873 7.168 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)c(I)c1 2268283235 BUWZLLBFRCPAGM-CLAHSXSESA-N 515.414 6.342 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3scc(Br)c3Cl)c2O1 2279288425 RQOBLKDGOAIRCP-KSBSHMNSSA-N 501.465 6.734 50 10 KKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288344398 JCYYXWIQCABHJE-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE Cc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1I 2288344798 NTXSYPGCYIJQQY-GFCCVEGCSA-N 580.830 6.887 50 10 KKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c(C)n1-c1ccc(Br)cc1 2297486607 BIDDOGYDOIZAKU-UHFFFAOYSA-N 529.337 5.791 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 2313567243 FCUAEFJDDQYEKJ-UHFFFAOYSA-N 537.457 7.764 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 2313568890 YFCXIXZZKKNFDU-UHFFFAOYSA-N 539.329 5.633 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570880 IKLUSGHPZNDRNA-UHFFFAOYSA-N 594.192 6.631 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2)sc2c1CCCC2 2313630989 YUCUSIIYXLEZIS-UHFFFAOYSA-N 521.038 6.582 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc(O)c2ccccc2n1 2314433738 RSNBQDLAVVDCJG-UHFFFAOYSA-N 562.655 5.427 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448803 KPUKHDSEXGVONI-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE Clc1ccc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314451331 DNDKCWVJWAXRTN-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 2314476127 JFBOEZGFPHMHNX-JWQCQUIFSA-N 600.766 5.853 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314617375 XBSZKAZOCKCCEK-UHFFFAOYSA-N 534.660 6.562 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314618141 HYMNWYUWXJUULT-UHFFFAOYSA-N 504.546 5.323 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314618391 MRZGMMLVPDKXTL-UHFFFAOYSA-N 577.644 6.306 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634222 HBUHRKIZDZKYAE-HHHXNRCGSA-N 519.428 7.128 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2sc(Cl)cc2I)cc1Br 2316600412 FRGLFGQJQOUVOX-LLVKDONJSA-N 540.873 7.215 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sccc1I 2317399373 OBDOIVUXRZNYLM-JTQLQIEISA-N 524.418 6.653 50 10 KKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2320941054 ZJTKBIMIQOORBF-UHFFFAOYSA-N 506.587 6.138 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1cccc(OCc2ccccc2Cl)c1 2321698138 MTKSHGWPLXHWPY-UHFFFAOYSA-N 528.008 5.378 50 10 KKGE O=C(CN1C(=O)CN=C(c2ccccc2)c2cc(Br)ccc21)NN=Cc1ccc(-c2cccc(Cl)c2)s1 2328662187 ITUANPUBSVGRMV-UHFFFAOYSA-N 591.918 6.165 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 2331292932 XFAHRQNMKMNTQA-UHFFFAOYSA-N 503.461 5.978 50 10 KKGE Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3N(c4ccccc4)CCN3c3ccccc3)O2)c(=O)nc1O 2333326749 BXGVFHNVIRIZML-GSDHBNRESA-N 548.760 5.288 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2338017731 POPUGLINHMWPJZ-HNNXBMFYSA-N 514.064 6.860 50 10 KKGE Brc1ccc([C@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349849731 CLDVLRHNERGSCW-CYBMUJFWSA-N 558.877 6.885 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426074 IJBVJJPRNFJXAR-NSHDSACASA-N 509.797 7.281 50 10 KKGE FC(F)(F)C1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2361168736 OKAMMOMEHXVBDH-LJQANCHMSA-N 506.200 7.977 50 10 KKGE Fc1ccc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362222812 DSZZQTKNMZHAOV-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE CCCCc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 3174812 OOQXBBREJNYRNL-BIZUNTBRSA-N 545.477 7.053 50 10 KKGE COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc(Br)c1O 9693573 MAVSKTTYGVSMCR-HNNXBMFYSA-N 506.809 5.036 50 10 KKGE COc1ccccc1N/C(SCC(=O)NC1CCCCCCC1)=C(\C#N)C(=O)NCc1ccccc1 12311595 KFYALJPHTOYCDX-NFFVHWSESA-N 506.672 5.121 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 14653045 MIACHSKUJRZNRE-UHFFFAOYSA-N 516.436 5.078 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38687581 KMZKGTPSBVWTRM-SANMLTNESA-N 504.970 5.965 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)CC1 38687869 VJUNZAVFMWSVEO-ZQYQLRQTSA-N 509.444 6.569 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 39842923 LTFSRPKZHDZHQC-KGENOOAVSA-N 505.559 6.644 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1C#N 59305283 PIMVFWVTPCBEPX-CCVNUDIWSA-N 504.340 5.418 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100194003 IIRSUJAJWHHMBA-UHFFFAOYSA-N 540.892 5.301 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cccc(OCCc4ccccc4)c3)cc2)cc1 100243431 RKHJJCYZKICCGP-UHFFFAOYSA-N 594.737 5.807 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C1 101014645 YOBOVAWPFVWLGS-ROZSZVCVSA-N 562.699 5.911 50 10 KKGE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 101035793 OVGIWDXZWJQHFG-XLNRJJMWSA-N 609.239 6.440 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067568 HYNCDZGJWXPUCD-UHFFFAOYSA-N 531.676 5.320 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 101334335 PLVAUXHPHMDPNJ-TTXZLZEXSA-N 515.013 5.982 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362523 FISRPLYRGQCZJZ-JGCGQSQUSA-N 546.623 6.738 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101368280 GFOLYQQHVHUXQU-TYONGCAVSA-N 579.480 7.264 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccccc1Br 101370484 AAYPXLPXKSAWKF-NDEPHWFRSA-N 537.413 6.405 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101372024 TVOJPACWOPCJFS-WJOKGBTCSA-N 554.687 7.389 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381126 ABSGTQRIUPGZGE-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383788 WXWCEMIRGWCMQJ-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387963 QFSJDTBCLMJTGP-MUVVOIGYSA-N 618.730 7.687 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101388257 YOWBULUECUBIQX-WEZXKFLESA-N 615.057 7.048 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101388838 BCLQSQAFKTVEMM-PMERELPUSA-N 554.549 6.380 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389475 RTIIDIIBNJOZEA-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101390900 HAQPPBKZGMAEJY-LOYHVIPDSA-N 532.552 5.229 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101393553 FZHQIHOHAHBBTM-HSZRJFAPSA-N 581.875 7.072 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101395698 KOWLQQONXMXPEV-SSEXGKCCSA-N 587.072 7.800 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2cc1C 101397557 BQHCUSGVFYUPTE-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2c1 101398536 UJXWBDANIWPRTB-JGCGQSQUSA-N 591.063 7.973 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399876 IPVPVRZWHQIXMS-YTTGMZPUSA-N 608.597 7.435 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(F)cccc1Cl 101726972 NNBNFTOFGVYTOA-VFLNYLIXSA-N 542.057 6.433 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2OC)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N 102369747 PGSZSLXDVMEFOA-ODLFYWEKSA-N 552.578 6.444 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1 103876604 XWJNESNUPNVMMR-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(O)cc2O)cc1 103876676 HPIDRNREMFIXTF-JFLMPSFJSA-N 537.357 5.232 50 10 KKGE CCCCCCCCOc1ccc(/C=N\NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 105422382 SCGDHLYIWOVJKL-QXPFVDMISA-N 590.573 7.078 50 10 KKGE c1ccc(P(c2ccccc2)c2ccccc2CCc2ccccc2P(c2ccccc2)c2ccccc2)cc1 137305799 ABHXQOCFAUMQAD-UHFFFAOYSA-N 550.622 6.988 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150460779 RXQQPDUVVBDQLB-GDLZYMKVSA-N 677.993 9.195 50 10 KKGE COc1ccc([C@]2(C(F)(F)F)NC(=O)N(c3ccccc3)/C(=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 150479261 UPJJNLNVJBPGLE-FBFLEAQWSA-N 633.656 5.683 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 150481481 JRRBQCDTNGTMBI-VVXXNSFSSA-N 986.114 11.219 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 164621357 MYDYSCKQBPNFAZ-PNQUVVCRSA-N 688.143 7.848 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 232483029 VPCUXLOLAWQBTF-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 254378971 GXSRSQJJHWGTQS-UHFFFAOYSA-N 557.628 5.259 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2c1CC[C@H](C)C2 254824155 XKZFTONVXLHEOZ-SFHVURJKSA-N 573.650 5.130 50 10 KKGE ClCc1cnc(Oc2c(I)cc(Cl)cc2I)c(Br)c1 311599174 GGAMRHHMJPZYQO-UHFFFAOYSA-N 584.804 6.238 50 10 KKGE CCOC(C)(C)O/N=C1\[C@H](C)C[C@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@@H]1C 504483712 SFTHBPKNOPSKEE-BPFKAHLOSA-N 993.479 7.734 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C=O)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 605692512 CLWWIOYWYDVVRU-MPMJVLMTSA-N 532.357 6.303 50 10 KKGE in-vitro Cc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)cc1Br 721614995 QDNXDOQNUAISGC-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 725411810 LYFKAVCWNBZZIU-SANMLTNESA-N 547.449 6.154 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 725422214 QKEOSCSJVAKKGZ-QFIPXVFZSA-N 719.155 6.201 50 10 KKGE CC(=NNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Br)cc1 1081086783 KWYCRVRALJZORN-UHFFFAOYSA-N 502.206 5.945 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 1083998413 SFZNYCCSYVMTLA-UHFFFAOYSA-N 562.091 6.207 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084003375 XAYUNERBBFGSTG-UHFFFAOYSA-N 675.609 5.000 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084012342 UINQIRAVDXUBME-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084048583 ZUNPJVAKFYHONL-AREMUKBSSA-N 541.475 6.664 50 10 KKGE COc1cccc2c(/C=C(/C#N)C(=O)Nc3ccc(I)cc3)c(-c3ccccc3)[nH]c12 1084173764 AMHSQZMLQVDNNT-VKAVYKQESA-N 519.342 5.994 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2ccc(Cl)cc2C)cc1 1084208120 ZNQMSSWXSPJCBX-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 1084227530 VLZCESCMZPRCJP-YRNVUSSQSA-N 528.642 7.699 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 1084332974 GVWPENUFQUKVFC-VWLOTQADSA-N 507.428 5.721 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1C 1084590648 XOUWNOHRMPPGAZ-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OCC 1084646868 IAWHUTXHVWIRJH-UHFFFAOYSA-N 602.551 5.020 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3cc4c(cc3nc12)OCO4 1772721780 YKRJLPNOURCUEJ-DFZNVAMWSA-N 554.485 5.808 50 10 KKGE CC[Si](CC)(CC)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 1775954675 SNFQGZFZXWNAEJ-MUQZGBOESA-N 922.154 6.289 50 10 KKGE in-vitro CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(C)cc1 1865689772 WKTPXENXPJBXSW-GDLZYMKVSA-N 559.041 6.537 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694801 BZPJMKPKHYBEHM-VWLOTQADSA-N 512.997 6.029 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865695407 OHMFGYUWDQJLRT-LJAQVGFWSA-N 506.606 5.662 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704054 LRCWSSFQKNSNQA-AREMUKBSSA-N 514.988 6.083 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705679 BSGIMOVCPHPVNC-NDEPHWFRSA-N 520.633 5.916 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706010 LRHOLWJEZHVWGN-JOCHJYFZSA-N 552.805 6.685 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866767109 DHIMFUKYBHZBAM-SXOMAYOGSA-N 515.679 6.073 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)nc(-c3ccccc3)n2)cc1 1868364645 CCVXOCKPXQZVRP-HKBQPEDESA-N 539.708 8.197 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccc(CC)cc4)C3)n2)cc1 1868527947 KVCLVIHZPXFNNG-MUUNZHRXSA-N 537.689 6.999 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872749075 AHFDGLIKSQOZSI-WGSKNTRPSA-N 512.418 6.620 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 1872756246 GJBOXYFLPOAWLA-LVWGJNHUSA-N 519.022 7.095 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915130174 HSBRXOJIZDUODO-ZDUSSCGKSA-N 551.060 5.870 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1scc(Br)c1Br 1916369827 JEICQWQBRHMGAQ-GFCCVEGCSA-N 526.088 5.325 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923068261 PBNWEXIHPLRCGB-MRVPVSSYSA-N 556.314 7.621 50 10 KKGE CC1(C)CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924592131 WYOUQRPARLKBEW-CBAPKCEASA-N 523.954 7.688 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CCCOCC2)c1Br 1924616262 MZNJNTAORKFGAZ-SFYZADRCSA-N 525.926 6.678 50 10 KKGE Cc1nc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Br)s1 2050332371 YRCHKQIMGDDYGN-JTQLQIEISA-N 518.894 6.532 50 10 KKGE Cc1ccc(NC(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)=C(C#N)c2nc3ccccc3s2)c(C)c1 2053623328 RQKAXZMQPILUOR-UHFFFAOYSA-N 554.619 7.488 50 10 KKGE O=C(NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1)c1ccccc1C(=O)NN=CC1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 2059861955 CVQJDYQZZRBWSO-UHFFFAOYSA-N 696.852 6.045 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@](C)(CO[Si](C)(C)C(C)(C)C)c2cc(B3OC(C)(C)C(C)(C)O3)cc(C#N)c21 2069450495 KBHZCNWGDKCDBM-NDEPHWFRSA-N 528.575 5.892 50 10 KKGE CC1(C)CCC(C)(C)c2cc([C@@H](N[S@@](=O)C(C)(C)C)c3ccccc3P(c3ccccc3)c3ccccc3)ccc21 2080762337 RNECRLNZVHVLRD-HQIVZWIISA-N 581.806 7.935 50 10 KKGE Brc1ccoc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493704 FWSKMQKSHHZPOL-SNVBAGLBSA-N 631.576 7.576 50 10 KKGE CN(C[C@@H](Br)C1CCCCC1)c1ncc(I)cc1Br 2133374799 YQYWQYLHPPNJLB-CYBMUJFWSA-N 502.032 5.229 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(F)cc1I 2203003052 QAYWPNKMNJLUIH-CYBMUJFWSA-N 534.388 6.339 50 10 KKGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CCCBr)C1 2234190700 HLJGIVFLMBOFMQ-LLVKDONJSA-N 515.027 5.081 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2csc(Br)c2Br)c1 2263518410 DKLALXMBGXXYFK-SNVBAGLBSA-N 582.775 7.477 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272736287 XXULOEIFRUYMQN-SNVBAGLBSA-N 523.791 6.638 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)cc2c1OCCC2 2279293377 OVWZXZKERXTSMC-LLVKDONJSA-N 501.465 6.736 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2285941567 MRLVJUWSPHYAPM-CYBMUJFWSA-N 509.797 7.281 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 2313675798 UJYQNZNSDGXIAD-UHFFFAOYSA-N 525.388 5.923 50 10 KKGE O=C(C=Cc1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313864279 HHZPSGNIVQZQCD-UHFFFAOYSA-N 597.716 5.132 50 10 KKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1 2314533661 SSENQDPGCNDPNP-UHFFFAOYSA-N 531.366 5.112 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591914 HPGUFRLYWVQSLI-QHCPKHFHSA-N 524.429 6.067 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592552 XIACHIHIDFHIIH-XMMPIXPASA-N 521.564 6.387 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(Cl)cc4)c3)C(C)=C(C#N)C2=O)cc1OC 2314616917 MWBSBNRMMLKDBT-UHFFFAOYSA-N 685.180 7.624 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314618484 OJNXFMCUDHIGIT-UHFFFAOYSA-N 621.137 7.179 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)c(C)c1 2331311156 XSORYZKDSSIGRN-UHFFFAOYSA-N 516.044 5.051 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1OC 2331412627 QHTZOCBXBXWBTK-UHFFFAOYSA-N 510.568 5.368 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)sc(C(C)=CC#N)c1C 2331557567 KZBLJWWEWFNMFR-UHFFFAOYSA-N 513.575 5.440 50 10 KKGE Fc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360428308 ZYRNZFZCUBAVIV-NSHDSACASA-N 509.797 7.281 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)cc1Br 2360492379 LFQWAIIHQWRNOM-NSHDSACASA-N 570.703 7.904 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(F)c1Br 2365183959 BOKGUPPIUQYQGH-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Fc1cc(Br)cc(OCc2c(Br)cccc2Br)c1CBr 2366225682 BMULSZGOUXGTAA-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE Fc1ccc(OCc2cc(I)ccc2Br)c(CBr)c1Cl 2367519147 FFAIOLHHNZPQEI-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE Fc1ccc(C[C@@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2377330266 PGWNZPAJHBDYFJ-CYBMUJFWSA-N 511.998 5.989 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)c2ccc(C(C)(C)C)cc2)c2cccc(Cl)c2)cc1 33367265 BHUOXHRWMYXNHK-CEUNXORHSA-N 528.074 5.382 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518712 IUCBEVCZXQPRDU-VXLYETTFSA-N 507.958 7.442 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCC)C(=O)C(C#N)=C2C)c(C)c1 38603795 QYCZGFKRZWZAOH-TURZUDJPSA-N 520.633 6.195 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655585 QJYFZXKJUWIBQW-BZQUYTCOSA-N 509.389 6.147 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38682002 WWMSEGMOVDJLJL-SSEXGKCCSA-N 512.606 6.021 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813734 WKKUDBKDEVCIMY-ZTKZIYFRSA-N 500.382 6.016 50 10 KKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1C#N 59304058 BCGCYUXRRWBIHI-FJEPWZHXSA-N 511.379 6.142 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100182149 UCJZXYPRFQGBHB-UHFFFAOYSA-N 570.509 5.402 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 100234836 CVZKWEQHNUAPIV-ABZYITTCSA-N 545.861 6.044 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(I)cc1 100236653 LIPFAQFISHDGBX-VGBOAXCZSA-N 598.481 5.961 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 100452002 ZXQBHENTVUTUBM-KJTWNORHSA-N 532.438 5.592 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 101245828 YERNDPZRLLALDK-NNHPPCHPSA-N 536.484 6.984 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336198 XKKVHULRDQKACM-ZTKZIYFRSA-N 568.743 6.839 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380099 CHOFYDCXDYCZCZ-PMERELPUSA-N 573.432 6.775 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383319 WPVKDVIYPXBWCC-WJOKGBTCSA-N 567.041 7.144 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387265 KSWLWKOZBXWYKJ-YTTGMZPUSA-N 601.030 6.578 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2cc1C 101390919 FDZFGKORGZUJDO-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390922 IJOLADGDDCAENC-MUUNZHRXSA-N 573.432 7.018 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)sc2c1 101391295 SXMYTUQWTRTPGP-QFIPXVFZSA-N 551.849 7.063 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101392716 RCADKTSFNFPGIR-DEOSSOPVSA-N 567.450 7.053 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)c(C)c2cc1C 101396374 HYCIOSARVZFQKA-SSEXGKCCSA-N 536.628 7.220 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 101396566 HWTJBWAKKUMMMM-SSEXGKCCSA-N 536.628 7.310 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 101479353 TWCOAEOTRSNHNE-UHFFFAOYSA-N 588.797 8.553 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccccc1Cl 101712185 XVMODTDXZIQKJH-FJEPWZHXSA-N 559.888 6.517 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(C)c1 101727490 GOKHRFKEGGEXGV-VVEOGCPPSA-N 616.990 7.364 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 102006533 HUTLCJWQVQLXNE-LGJNPRDNSA-N 525.428 5.155 50 10 KKGE N#C/C(=C/Nc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102415592 XYGLLDGLFYBVMK-VBKFSLOCSA-N 501.365 6.204 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 102666172 ZCEPYPUQTGYJBU-XYZDCVNTSA-N 566.466 6.235 50 10 KKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 103649551 UABNGOSGHYBRCU-YVLHZVERSA-N 505.949 6.741 50 10 KKGE Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1 103880691 QKNQWUZJKBMUFE-UVHMKAGCSA-N 542.227 6.609 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cc(Br)c(Br)s1 125565372 XCOJTTRTAZRXCO-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150407400 QHBQUHCPNNOHDT-UHFFFAOYSA-N 674.209 5.631 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432851 VGBHXBFVSYHGCM-JTMIDMFHSA-N 659.566 8.125 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150481532 YEMCNWMNIKPVFU-JOCHJYFZSA-N 656.777 8.725 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(Br)c1 150488841 BBMNOIYIMXBSGL-KRWDZBQOSA-N 649.539 7.919 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 202759718 ZARWZJUOPFZIOB-LGPUVXHXSA-N 637.088 8.632 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 205664283 VQTYDDVDIKURJU-GDPZGIOSSA-N 518.544 6.242 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C\c2ccccc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 206186939 QXLHVKBUKVLPPR-OCKNXMHGSA-N 500.554 5.862 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1OC 207200762 ANXQWPRZYDLBEV-ONUIUJJFSA-N 572.727 7.594 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214250110 YCLRVSWRIHJGJD-MIXAMLLLSA-N 528.612 6.119 50 10 KKGE Cc1cc(OCc2ccc(C=NNC(=O)c3cc(-c4ccc(OC(C)C)cc4)nc4ccccc34)o2)ccc1Cl 252604177 FXSJHIYIIJKZSQ-UHFFFAOYSA-N 554.046 7.587 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COc4ccc(C#N)cc4)c3)c3ccccc3n2)cc1 252627024 RKKKKMWINCFOTM-UHFFFAOYSA-N 540.623 6.687 50 10 KKGE Cc1ccc(NCCCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 253565632 HYSHCPRBIOUKFM-YRRMYEEHSA-N 554.783 7.303 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253588175 NOATULMQVVEPQO-CQZOXXEXSA-N 904.120 8.120 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)/C(=C\c3ccc(OC)cc3)NC(=O)c3ccccc3)ccc21 254500639 FBAZQDPJFCVUCW-SAPXOYMRSA-N 516.601 5.744 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@H]1CCCCO1 256105683 GGIODFRWUKSMTA-VNWPIFLOSA-N 614.940 8.778 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1 575416945 FZTPBALCQSLXDA-KDPUGNCOSA-N 769.218 10.984 50 10 KKGE CCOc1ccc(C)cc1[C@H](Br)c1ccc(I)c(Br)c1 721572112 KDGKPUVIISSPPP-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE COc1ccc(Oc2ccc(NC(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)cc2)cc1 725237467 IFXAIKOWPDCWQU-SANMLTNESA-N 575.008 7.520 50 10 KKGE CCCC[C@](C)(C/C=C\[C@H]1[C@H](CCCCCCC(=O)OC)C(=O)C[C@H]1O[Si](CC)(CC)CC)O[Si](C)(C)C 1083141313 SNUSPEKJEHUDOM-KICDWPNSSA-N 568.988 8.842 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)c2ccccc2F)cc1 1083966416 MQAXNIXZZHSMLO-UHFFFAOYSA-N 581.669 6.212 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 1084104726 SKKBYZHNLGYTNB-QFIPXVFZSA-N 580.704 6.408 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1 1084250252 ICMJJEFHAFBQCZ-CJLVFECKSA-N 581.308 6.046 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084399260 SDLUDUNQWWZGBD-UHFFFAOYSA-N 537.366 5.666 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 1084566728 CTBJULGVRSMAGZ-XMMPIXPASA-N 559.432 5.538 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084628661 SGSWSVBHSAFUNF-UHFFFAOYSA-N 641.591 7.016 50 10 KKGE CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 1615811075 ABUHPHDFZWIMHE-LHSYUDANSA-N 540.785 7.810 50 10 KKGE biogenic O=C(COc1cccc(Br)c1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754254 SZAHDBDEUDPWGN-UHFFFAOYSA-N 518.205 5.320 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(I)c1O 1772755128 OUSKHZQPAIFRCE-UHFFFAOYSA-N 559.838 5.025 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(C)c1 1772755155 QGCPRZOUOFHQDC-UHFFFAOYSA-N 517.676 6.339 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685366 HOYJFIFCOSSTOT-VWLOTQADSA-N 531.443 6.749 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865691216 MVZKDUCGNPZWQO-HSZRJFAPSA-N 545.522 6.440 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705349 SWUYKOHNEGBCMZ-SANMLTNESA-N 575.452 6.247 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705574 ZHFHOXQVOWECEP-HSZRJFAPSA-N 527.408 5.600 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710886 KTAMWVCVBMRDMY-DEOSSOPVSA-N 517.416 6.440 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867220448 OUGMFOZGPRFDOG-IZLXSDGUSA-N 550.124 7.148 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)C[C@H]2c2ccccc21 1868433804 RAFRPBAXWDEXLK-SANMLTNESA-N 567.118 6.795 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c2ccccc12 1872758576 HJCXRLCBAPOGIU-QOCHGBHMSA-N 520.454 7.959 50 10 KKGE CC(C)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924595645 BWECDTZQEHOZLG-NSHDSACASA-N 531.933 7.643 50 10 KKGE Cc1ccc(N2C(=O)C(=CNNC(=O)c3cccc(NNC=C4C(=O)N(c5ccc(C)c(C)c5)C(=O)c5ccccc54)c3)c3ccccc3C2=O)cc1C 2053623033 AZNLZLZAFQEWJA-UHFFFAOYSA-N 716.798 6.527 50 10 KKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2054498089 OUJHUOJTDCPQBZ-BHNWBGBOSA-N 525.926 6.677 50 10 KKGE Fc1c(Cl)cccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2113470491 KJVDTCKKHXIUQP-SSDOTTSWSA-N 511.863 7.351 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)sn2)c(OC)c1Br 2120031067 FXVMTCDLVGRKBB-SNVBAGLBSA-N 518.996 5.012 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1csc(Br)c1Br 2138256354 UUAKDNXMACWPFA-VIFPVBQESA-N 554.323 7.182 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2146764179 WKZFPNNSUSSLPX-JTQLQIEISA-N 513.398 7.430 50 10 KKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2193095193 SFYYCQAKFIPKNL-FHQKJZPWSA-N 519.402 6.472 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Cl 2201609057 UIUKTVDKQPMKGP-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1C 2201617698 WARZNTHZQGNUNC-JTQLQIEISA-N 509.435 7.306 50 10 KKGE FC1(F)[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206393950 CYHQYIYWSXVYGH-GHMZBOCLSA-N 558.280 7.452 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(CC2CC2)CCC1 2206398628 XGMMXRJMAUONGV-AWEZNQCLSA-N 550.354 7.987 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)cc(C)c1Br 2227420017 BGQFYEYELPMMBF-GFCCVEGCSA-N 531.933 7.445 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Cl 2232528001 GCLGEEYTHLQGEF-HNNXBMFYSA-N 504.420 7.306 50 10 KKGE CCc1nc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2235605360 RILSOZCLLIWNSN-LBPRGKRZSA-N 546.948 7.094 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 2293198293 RCDWPBWMXHVWLJ-QHCPKHFHSA-N 526.420 6.506 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 2293727287 YBEVYVBVWLCDDU-UHFFFAOYSA-N 534.041 5.426 50 10 KKGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2295172681 YBFSCFYBRRCXDK-UHFFFAOYSA-N 523.397 6.460 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(Br)sc1Br 2295372582 JLJGBGVLQDMWFL-LLVKDONJSA-N 523.899 7.334 50 10 KKGE COc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506733 CEJAYLLQPAFBAA-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1Cl 2297709349 QTMITAVLDLVYCA-UHFFFAOYSA-N 563.835 5.708 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1I 2300949218 JBRVLTULHLELRN-LLVKDONJSA-N 553.428 6.403 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cccc(Cl)c2Br)s1 2300956166 WIVARXLDYFUVJC-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)NC4CCCCC4)c3C)sc3c2CCCC3)cc1 2313562098 DIKRIMXKPQJXBR-UHFFFAOYSA-N 540.733 6.951 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313570870 IEFPVYGEDBNCAH-UHFFFAOYSA-N 587.257 7.517 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)S(=O)(=O)c1ccccc1 2314478675 QRUSFRRETARPIZ-UHFFFAOYSA-N 552.055 7.110 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@@H](CC)C2 2314571639 JDJABECEFOQFGB-OAHLLOKOSA-N 543.472 7.552 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617267 UZUHNRUUSZTRON-UHFFFAOYSA-N 512.993 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314620402 PHJVIEKYFNFCDS-UHFFFAOYSA-N 612.636 7.189 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 2314640684 MRECAEUPEPTLBM-HKBQPEDESA-N 552.989 6.895 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)NN=Cc2ccc3cc[nH]c3c2)cc1 2321698240 WNJUDVFQBUFCKS-NRFANRHFSA-N 510.638 6.585 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C[C@@](C)(CBr)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2327103169 MLUGIGZYPZYDKH-XMMPIXPASA-N 520.553 5.224 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1C 2331366317 NYKGYOLENOPXCY-UHFFFAOYSA-N 516.579 5.821 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@@H](Br)C23CCCCC3)c1 2338756935 FEYBCKCGJMHLTH-ZIAGYGMSSA-N 500.012 5.919 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc3cscc3s2)c1Br 2362250054 ZJMVCFPCJNKZJF-LLVKDONJSA-N 519.480 7.765 50 10 KKGE Clc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(I)c1 2365599444 WERWRJTTXJLXRA-OAHLLOKOSA-N 528.409 6.126 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(Nc2ccc(C)cc2Br)nc(N2CCOCC2)n1 33353321 HTNJQTIZKMOQMH-PGMHBOJBSA-N 639.514 6.264 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 33380628 ZBUULNRSDONWRJ-NHFJDJAPSA-N 510.597 6.972 50 10 KKGE COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2OC)c(OC)c1OC 33445003 IUEXOXZVBXMOFN-LKVFMFGUSA-N 520.582 5.067 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 33568796 PRUQUMSQLZLCHK-VKHARKSUSA-N 508.650 8.230 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 38604241 FIHMINRYTRGUMO-LPYMAVHISA-N 527.448 6.754 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 38607841 MZJCSJQXIUIHFP-OVVQPSECSA-N 522.674 6.576 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 38684866 MMAODJUASGPDHI-VWLOTQADSA-N 511.361 5.595 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 40950749 XSBXMJVYAZCGDR-MZJWZYIUSA-N 525.871 6.216 50 10 KKGE CCC(=O)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 59464862 OHZBZFFNKNMLGD-VHEBQXMUSA-N 505.097 5.338 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4c(s3)CCCC4)ccc21 96401691 REJNRPHHDNLSHV-NKFKGCMQSA-N 525.681 8.067 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243665 KTJXZYYYAVCYHX-LHJQUIOMSA-N 552.483 6.306 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243737 KZCBOJSIRFMIRF-YANFJXFDSA-N 562.489 5.761 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101336190 UDUAGVPPAOYACV-RUMWWMSVSA-N 600.719 6.834 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101340701 AEUSGAWWNCRSFC-MFKUBSTISA-N 549.974 5.893 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCCC(C)C 101375113 QIOIRHCPQWOIPP-JGCGQSQUSA-N 556.659 6.330 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 101375424 NJOAACDFTGSENX-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1 101377789 PBNKYTKBNSRSOY-GKRSWFATSA-N 508.618 6.873 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382909 WFAHSRZVYQHINH-JGCGQSQUSA-N 581.068 7.391 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 101385616 CFKANHWCDLUCJJ-HKBQPEDESA-N 614.010 6.038 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386577 MJZILDQQHOTGGL-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101387046 OLIBPBZFZCCRJM-HKBQPEDESA-N 597.555 5.524 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101394813 JUBKZAGZZAOVBB-PMERELPUSA-N 625.549 8.187 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)cc(C)c6c5C)ccc43)c2)cc1 101398280 BPCZGBMPHCUVSX-MGBGTMOVSA-N 570.645 7.683 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Br)cc1 103879583 WVJBKQSIIWCVAC-KVSWJAHQSA-N 592.671 6.963 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccccc2)CC1 103884847 GNWZHQNMZUHFCS-PXLXIMEGSA-N 546.421 5.013 50 10 KKGE COc1ccc(CCN/C(N)=C(C#N)\C=C2\C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1OC 104254205 AIRJHXTXYIVGSD-NZNDGLLTSA-N 535.431 5.598 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)cc1 105055169 NPJIOVBSVNOOCR-UZWMFBFFSA-N 592.073 5.913 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 150388132 SEUCAKLGZZMTOX-UHFFFAOYSA-N 636.204 5.295 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@@H](C)C2 150411246 JGBZEPIDRFFBBZ-HBSFMHHRSA-N 630.726 5.088 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150427301 KGLNTLWHXHFMJU-UHFFFAOYSA-N 716.018 6.648 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430015 SUKTXGZXSWTDKX-QNGWXLTQSA-N 643.139 8.273 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCNC(=O)CCSSc1ccccn1)OC(=O)CCCCCCCCCCCCCCC 150587465 FKHHBNZLKDHJAH-RWYGWLOXSA-N 889.256 12.879 50 10 KKGE CCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 198740941 UDXKCNGHDCCXQW-JBASAIQMSA-N 515.536 8.179 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)ccc1OCCC(C)C 207167944 SKAGNYDAWPYNLM-GSNARSAFSA-N 506.599 5.179 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1OC 214372199 LFLZAYVNSWAMKU-NHXQZRDHSA-N 700.795 8.124 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 214407340 WZHAUVGRERZWNM-YKQZZPSBSA-N 558.613 6.344 50 10 KKGE COc1cc(-c2cc(C(=O)NN=C3C(=O)N(CC(C)C)c4ccccc43)c3ccccc3n2)cc(OC)c1OC 254823878 AHPBWRLYKDKLNN-UHFFFAOYSA-N 538.604 5.064 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@H]2Br 256019213 PMEXWVHQXUWDBY-UVBJJODRSA-N 548.035 6.330 50 10 KKGE Clc1cc(I)c(OCC2(CBr)CC2)c(I)c1 380636758 HQFYELHEWZXERN-UHFFFAOYSA-N 527.365 5.103 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 504392065 RHVUWCOPIAXOFJ-PDGOGYCMSA-N 565.746 10.076 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2ccccc2[C@@]32c3ccccc3-c3c2ccc2oc4ccccc4c32)cc1 642813953 HDSUJTBCYGAEBW-VZUYHUTRSA-N 590.662 9.688 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(Br)c(Br)s3)c2O1 720123092 GAXSHPDETDWEJZ-SREIQFSDSA-N 501.465 6.687 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccc(Cl)cc3Cl)c2C)c1 725411647 YKOUPDMOQVCWAS-UHFFFAOYSA-N 523.258 6.309 50 10 KKGE CC1(C)O[C@@H]2[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 888087851 CZIQXKKUWAFYDU-NJZAESGASA-N 666.934 8.400 50 10 KKGE CCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1 1081098286 RWDOQBNSBWVGDO-UHFFFAOYSA-N 508.662 7.922 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084071585 QTRRQGNGFDYNKH-HSZRJFAPSA-N 556.413 5.299 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(c1ccccc1)c1cccs1 1084211172 KJFHOGJZFZFIGV-UHFFFAOYSA-N 614.538 5.403 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cc(Cl)cc(Cl)c1O 1084326232 RBKCYVMFSIKWPR-UHFFFAOYSA-N 527.471 7.208 50 10 KKGE COc1cc(C)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1C(C)C 1084501265 JAHFJMNZVFNTNL-UHFFFAOYSA-N 552.331 6.316 50 10 KKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)cc1 1772745310 XWKRUKYKCMGHBN-UHFFFAOYSA-N 532.394 5.897 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1OCc1ccccc1 1772754325 XTOQLNXHKHNRHI-UHFFFAOYSA-N 624.329 6.995 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1857657183 LMCNYCSDWPLKPZ-FZDBBNTKSA-N 505.227 9.203 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1857741825 KYRSLFQMFXXGLW-IEXCOMMKSA-N 875.089 9.232 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685198 FNNYKZVJDJVGRM-AREMUKBSSA-N 539.422 7.226 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686970 GOIWBPDALIZJFM-MUUNZHRXSA-N 559.041 6.482 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865690544 UJCMUESTRFNFSE-AREMUKBSSA-N 511.025 6.649 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)c1 1865690688 YTFIUGJHBUXTKU-RUZDIDTESA-N 512.997 5.877 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccccc1 1865692244 ACDFTYSAEZLZNQ-MUUNZHRXSA-N 520.633 6.402 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865694538 WWDIQGTZFDYIBR-SANMLTNESA-N 545.014 6.406 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697650 YSEVIEZGDYBUOX-JOCHJYFZSA-N 557.876 5.925 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698036 IPIVDEQHSVRXFI-DEOSSOPVSA-N 557.404 5.300 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704518 XTWVPOFBMOTKJN-DEOSSOPVSA-N 518.539 6.508 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 1865711909 LDYGZQGOASLQHH-XIFFEERXSA-N 570.649 6.566 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866650665 ULJFSOCDLPGDGO-SANMLTNESA-N 528.609 5.579 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868342773 ZIAHJKKFRAMNRN-HXUWFJFHSA-N 521.712 5.781 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872729121 OPQTUEIPMUGAIG-LZYBPNLTSA-N 562.203 7.078 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(Cl)s2)cs1 1872757914 BXVQCSMWIKLOJT-QINSGFPZSA-N 516.269 7.593 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc(I)sn2)c1 1899873832 GLVCECQIHICDLR-QGZVFWFLSA-N 565.068 6.574 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cscc1Br 1923050113 QJXVMTXQCRZCDB-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)cc(Br)c1 1923054537 GVCDBYKWJAHDKU-QMMMGPOBSA-N 558.742 7.780 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC2CCOCC2)c1Br 2003878503 XRXIPCBFZWYKMI-SSDOTTSWSA-N 511.899 6.288 50 10 KKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]21 2040543486 XBWSKTCTPUMMPT-ZXMNWKEDSA-N 529.864 6.763 50 10 KKGE COc1cc(F)c([C@@H](Br)c2csc(I)c2)cc1Br 2082780708 IQKQQKAINZADGD-LBPRGKRZSA-N 505.972 5.747 50 10 KKGE Cl[C@@H](Cc1ncccc1Br)c1ccc(Br)cc1I 2086149871 TUSXUBGLSSLCFV-NSHDSACASA-N 501.387 5.734 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2097825625 XMTHDZHPQYMFGT-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2111087248 RSNPCHAGAHQIJV-SECBINFHSA-N 617.220 8.244 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(I)cc2)c(F)c1Cl 2136966451 JTKMMAVENCPTCK-LLVKDONJSA-N 522.352 6.470 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2c(Br)cccc2Br)c1Br 2138876265 NUYDZOJAKLIVHD-CQSZACIVSA-N 532.295 7.373 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCOC[C@H]2C3)c1Br 2141475946 UMUJCRYNQLRUED-GBRJYTSESA-N 582.750 6.599 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1Cl 2167043708 USWDLWIPAVMWMZ-YFKPBYRVSA-N 502.248 6.934 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1 2172407611 HPVQXVIBQDXTAH-GOSISDBHSA-N 507.188 6.530 50 10 KKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2185101799 BRGUHKDHXZCHIS-ZWNOBZJWSA-N 515.027 5.078 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)sc(C)c1C 2203012034 UCYKZHHPRUANNY-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE CC12CC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CCO1)C2 2206397573 KVZXHIAFYMRAFE-IYXRBSQSSA-N 552.326 6.976 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCCCC[C@H]21 2206398241 SHJVHOUPNVWWFO-HDFMHMMKSA-N 550.354 7.843 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206400162 PXGIHGNJYFZDFP-JTQLQIEISA-N 631.609 8.528 50 10 KKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2217676819 SPIRMUGDBJSBDM-KODRXGBYSA-N 535.843 7.060 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(F)c2I)c1C 2218792037 GIRVFIQQYJULDS-SNVBAGLBSA-N 504.000 6.355 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)c(C)c1Br 2235606154 BGQAKLLARQKFGA-ZDUSSCGKSA-N 529.896 6.117 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c(C)c1Br 2235607016 DVFWSZKLWUDSEM-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE Brc1ccccc1[C@@H](CI)OCCOCCOCCOCc1ccccc1 2236086613 YQIBRNRJOKOSGD-OAQYLSRUSA-N 549.243 5.192 50 10 KKGE Brc1cc2sc([C@H](Br)c3cc(I)sn3)cc2s1 2252899796 BPRNECRHTLFFMG-SNVBAGLBSA-N 521.062 6.271 50 10 KKGE COc1ccc([C@@H](Cl)c2csc(Br)c2Br)c(Br)c1Cl 2268265674 IKAPIXNJYVIIEP-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2280676310 DKAVFBXMMKBULE-NSHDSACASA-N 521.927 8.188 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1COC2(CCC2)C1 2284848781 WUUVABMKAYUJAV-WPPNPWJKSA-N 552.326 6.976 50 10 KKGE Cc1c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)nn(C)c1Br 2288482803 HZVWTPDYSHRJLR-VIFPVBQESA-N 537.822 5.779 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)NCc1ccccc1 2294193526 XUPBIAUSZWCOQZ-UHFFFAOYSA-N 558.479 7.797 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295267853 RDECVEMCZUBOBK-ZDUSSCGKSA-N 501.871 7.506 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2295357871 QJTMGJDACDMFRX-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccccc2)cc1 2297075307 CWZUXHXZZWSHES-UHFFFAOYSA-N 504.015 5.417 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)sc2c1CC[C@@H](C)C2 2297456964 PMCXHERXOMABNB-HXUWFJFHSA-N 523.658 6.598 50 10 KKGE C[C@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2297462661 NSYXTAJIOOWVSE-LBVKRAJBSA-N 533.757 6.025 50 10 KKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 2313518207 SMZCMMWCVIRLCK-UHFFFAOYSA-N 504.368 5.641 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Cl)cc1 2313567495 KHTFODVAOCBHKW-UHFFFAOYSA-N 506.433 6.137 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Cl)c(Cl)c1 2313631260 MZWKADUHHBSSGW-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE O=C(CCCN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 2314489480 QIKUVIWSVAVDJI-UHFFFAOYSA-N 537.132 5.609 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592951 DXSDJKWBKYBJEY-HFJWLAOPSA-N 566.510 6.696 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593302 KZCBOJSIRFMIRF-IQGLISFBSA-N 562.489 5.761 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618335 LPDSPAQYLHBPFU-UHFFFAOYSA-N 502.954 5.703 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314640760 WEXOWINWGKBSSU-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646765 NARVFQPPLYRDHA-JGCGQSQUSA-N 684.749 6.174 50 10 KKGE O=C1C(=Cc2cc(Br)cc3c2OCOC3)Oc2cc(OCc3cccc(CCl)c3)ccc21 2325358337 DPPBHSIZVRXANR-UHFFFAOYSA-N 513.771 6.250 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)N(CC)CC 2331453942 CKQAUXWJYQPIKD-UHFFFAOYSA-N 505.596 5.249 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331457778 GVDHIJIUGLIPKO-UHFFFAOYSA-N 501.051 8.239 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2333303569 KFOPZFFQRAUYCS-UEFRMAIASA-N 582.750 6.455 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2scc(Br)c2Br)c1 2341184914 WNEGGBGWLSODSH-JTQLQIEISA-N 507.900 7.649 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 2365183469 IJSARPIOANLMSC-FQEVSTJZSA-N 555.104 7.592 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(C)c(Br)s2)c1Br 2365222386 CPUYDWBTHZXQBU-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 33354892 NBZPSRAIPVCBPX-BZCOGROQSA-N 598.681 5.365 50 10 KKGE N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 33517239 UKTXMEIUOFNJBK-STZFKDTASA-N 517.463 6.891 50 10 KKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 38608334 LCLHYCADGQXGDG-XQNSMLJCSA-N 518.610 5.116 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 38660291 YAOFHVZHWKEJIS-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38684582 ATGHNXPIIOMSRJ-GDLZYMKVSA-N 510.590 5.751 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1C 38684698 JUWSUUYWWYEDRK-PMERELPUSA-N 512.606 5.931 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 40812938 MIDPOBLXCBXYSB-XHLNEMQHSA-N 523.427 6.472 50 10 KKGE CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OCC 59483533 CZKDOQZFNQDCQJ-GDNBJRDFSA-N 510.759 5.678 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 59680132 OQKFOYUYTSNRGK-XODNFHPESA-N 508.759 6.063 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1 100092633 BJNTZFILFLMKAT-DNJOOXRZSA-N 582.660 6.079 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 100237249 DVHXWGVRCGNYKP-DVMDLWDRSA-N 555.027 5.379 50 10 KKGE CCCCCCC[C@H]1[C@@H](CCCCCCCCCN=C=O)[C@@H](CCCCCCCCCN=C=O)CC[C@H]1CCCCC 100485568 AMUBKBXGFDIMDJ-UYFSSDKWSA-N 586.990 12.099 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 101340081 FGOIZHWOSCFVHV-AFUMVMLFSA-N 528.992 5.729 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 101363517 BQBAGDYGFLGBNE-WKMZLRSWSA-N 529.434 6.584 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101367667 FLMJMWFGBFXODY-NMEOXOFNSA-N 531.008 6.364 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc([N+](=O)[O-])ccc5Cl)ccc43)cc2)cc1 101378955 NUADWMSACNPHCP-LJAQVGFWSA-N 567.985 6.573 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381682 HZNHRZJJVRTJKA-MGBGTMOVSA-N 560.650 7.272 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5cccc6ccccc56)ccc43)c2)cc1 101382273 AITMMXRAZRHCDN-DHUJRADRSA-N 552.630 7.094 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(F)cc1 101389692 GPBKZMPZXVGEKR-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 101395735 FXPYACGZSPYQKB-LJAQVGFWSA-N 563.050 6.754 50 10 KKGE N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102563307 IDTADITUCNRXRX-FMIVXFBMSA-N 552.759 7.328 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779657 YTSRLMPWDDQSGB-BTYSJIOQSA-N 559.103 5.272 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1 103797074 OFJFSCKJHFYRSP-LUOAPIJWSA-N 572.209 6.029 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 105050379 QMGQFNHXSNKUJQ-FDEZRRJOSA-N 542.812 9.559 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)cc1 150427147 DCOYKMKFWDLZNF-APTYXWLQSA-N 681.365 6.394 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433087 OJDMPJINEIIKHR-XIFFEERXSA-N 631.512 7.482 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433337 QYWDZHMNNANQLI-MGBGTMOVSA-N 631.512 7.346 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150460771 LODBRPJITXZCEB-GDLZYMKVSA-N 643.548 8.542 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481963 JTEXYIKQHBJDGR-MGBGTMOVSA-N 645.539 8.197 50 10 KKGE CC1(C)COC2(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N[C@@H](CO)c4ccccc4)[C@@H]3C2)OC1 197124706 RFODHSIIJZKRDJ-VHJOFQCFSA-N 503.756 5.042 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205669256 GJKVHQNSCNRAHM-MMVVLSKHSA-N 604.678 7.548 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206695027 MPXLOWIDCLIQFC-JTXLREJOSA-N 597.668 6.382 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 214333031 AEXZDDGELXAYFX-LNYBZIJTSA-N 591.693 5.143 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214371584 BZTSTUVTYVMURC-OFWBYEQRSA-N 618.759 6.894 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 214376865 OODGPGVLWYKDNR-YKQZZPSBSA-N 542.639 6.347 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 214388118 QOHNHJCQZJBHOU-MIXAMLLLSA-N 649.729 5.091 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214389886 YQEOXMWQQORASV-UUYOSTAYSA-N 502.567 5.031 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 233784452 PSZFEWXBFQRVGD-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(NC(=O)c2ccccc2Br)cc1 252604126 FWUZSQSGPUDXIW-UHFFFAOYSA-N 596.073 5.696 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=C(CCc1ccccc1)CCc1ccccc1 253572916 QTKIDLOOYQEYDP-UHFFFAOYSA-N 546.700 6.159 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1 254487475 LMQIBOOLXROEFC-UHFFFAOYSA-N 523.589 5.118 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccco1 254508219 FOTHIFUNHAQIFW-UHFFFAOYSA-N 506.599 5.750 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nnc2-c2ccccc2)cc1 254707601 BGJUHDVKWDYIBF-UHFFFAOYSA-N 543.652 6.492 50 10 KKGE Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(/C=C\c1ccc([N+](=O)[O-])cc1)=NNC(=O)c1ccccc1O 254746650 GSPXWWXIQGNJID-IPLCSMHOSA-N 544.549 5.565 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCc3ccccc3)cc2OC)cc1 254757508 UYWKVRPHEBYHRB-UHFFFAOYSA-N 538.600 6.046 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)sc2c1CC[C@@H](C)C2 254762495 BMZCZNWYOMTJOS-LJQANCHMSA-N 621.712 5.155 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@](C)([C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@@H]2Br 256018980 DLAKNMUSOIERII-ROMAMLGCSA-N 656.503 8.334 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=S)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642887001 BLKYMIQDVIRXHA-WQBDDMPVSA-N 877.130 10.293 50 10 KKGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@H](CCCNC(N)=O)C(N)=O 669117325 RFBGUFDKKIFDDF-VSJLXWSYSA-N 766.808 5.509 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 725401396 YRKQNGXQUNIDHA-MHZLTWQESA-N 608.476 6.386 50 10 KKGE C=CCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OCC 1083976647 ZJHYIOLGIXCORD-UHFFFAOYSA-N 542.057 5.034 50 10 KKGE CC(=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084038205 BAIJLNHXZWWRKZ-AHPZMPFVSA-N 530.625 6.334 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 1084041396 YQLKRQCMEURALQ-NDENLUEZSA-N 506.356 6.099 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccccc1Cl 1084059131 QZPYERCUABUCDZ-UHFFFAOYSA-N 626.960 7.087 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1 1084101751 WGZYLBADOITIQT-UHFFFAOYSA-N 501.406 5.148 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084254128 WIIZFOFPTVPDPO-UHFFFAOYSA-N 714.610 5.645 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(-c2ccc(I)cc2)o1 1084353170 PBWBXXDSIJSXSQ-UHFFFAOYSA-N 564.386 5.312 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084623167 KDPXULSLPKQJSW-UHFFFAOYSA-N 637.114 5.798 50 10 KKGE CCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1OCC 1614628259 XHZXZYUPYROOAX-UXHICEINSA-N 509.384 5.271 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc([N+](=O)[O-])c3)CCC4)ccc21 1772746235 SRQMXUAVPZIFJR-UHFFFAOYSA-N 549.587 6.347 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748553 REAJVNCFOBXOFQ-UHFFFAOYSA-N 504.801 6.579 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749282 SMOJUAPLADTYKJ-UHFFFAOYSA-N 569.661 7.621 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C\[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 1848433171 ISXKXFGJQNACAU-CNVIADSCSA-N 574.988 9.282 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688130 KEDSOJZUVVOPAH-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865695831 HSVKXFVUHHFTDN-OAQYLSRUSA-N 519.786 5.879 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1OC(C)C 1865696935 LMXXNHIUYYDNTE-HXUWFJFHSA-N 518.923 5.618 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCCCc1ccccc1 1865697645 YOQVBIKEPNLISA-LJAQVGFWSA-N 541.051 6.132 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865704303 SDCNQIFAEVVAIZ-QFIPXVFZSA-N 517.372 5.822 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704616 AARLBPYMKROJQS-AREMUKBSSA-N 541.007 5.593 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705336 SQKJFGVIXHDRET-HHHXNRCGSA-N 555.034 5.983 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129381 QJQKEQHXRKHPTO-SFQUDFHCSA-N 511.397 5.909 50 10 KKGE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134216 LVRRVWKYIYMCNS-IGKIAQTJSA-N 536.495 6.468 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415576 ZKHUMXJMCZBTQE-DEOSSOPVSA-N 500.027 6.692 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1 1872747431 CJINZAWYRXUQQC-XICCPGFZSA-N 510.615 7.259 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 1872751687 ARYXFSXLSVGSLQ-IHNLPELVSA-N 501.608 5.956 50 10 KKGE Cc1scc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 1902875495 HDNQJFGYIBXIEH-SECBINFHSA-N 509.908 6.890 50 10 KKGE O=C(CBr)c1c(Br)c(Br)cc(Br)c1Br 1906131808 KRXYSPWNGVJCOX-UHFFFAOYSA-N 514.631 5.314 50 10 KKGE CC[C@H](O[Si](C)(C)C)[C@H](CC[C@@H](O[Si](C)(C)C)[C@@H](CCCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933247614 QJHWBZLGSFIVFC-RRGQHJHPSA-N 651.239 9.741 50 10 KKGE Clc1ncn(-c2cc(Br)c(I)c(Br)c2)c1CBr 2006595573 YURKZMOGBNERRG-UHFFFAOYSA-N 555.233 5.550 50 10 KKGE Cc1c([C@H](Br)c2sc(Br)cc2Br)c(Br)nn1C 2014544018 WPTHSUIMCTWNRF-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2(CC3CC3)CC2)c1Br 2015725548 KOXOFHKHUUQFHK-VIFPVBQESA-N 507.911 7.052 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2016568792 UUVHYWLHXNBSBS-XYDSDRPRSA-N 505.895 6.374 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCO1 2021893196 JJFMJBLCIKZBFC-KCJUWKMLSA-N 511.899 6.431 50 10 KKGE Brc1ccc([C@@H](Br)c2cccc(I)c2)c(Br)c1 2024292826 DIXIHQDVOREPCU-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE CO[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780232 QFDVUAUUZAADHM-IAQWREMFSA-N 512.261 6.051 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040448345 MPVBZCORBMMIAO-UHFFFAOYSA-N 505.607 5.082 50 10 KKGE CC(C)Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079245565 IEGYXXXPIMQXQQ-UHFFFAOYSA-N 501.128 5.648 50 10 KKGE FC(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 2116025577 NSPZSIZVLZBHCU-MRVPVSSYSA-N 539.859 7.458 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121752 BRKHKTQBNVYYGE-KCJUWKMLSA-N 545.907 7.687 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccccc2I)cc1Br 2137640057 MJZNHILNDVQLLQ-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC3(COC3)C2)c1Br 2141470753 KLUSXSQMEKONAE-JTQLQIEISA-N 582.750 6.599 50 10 KKGE Brc1cc([C@@H](Br)Cc2ccccc2I)cc2c1OCC2 2146626072 LQWPZQOJCKQZSY-ZDUSSCGKSA-N 507.991 5.667 50 10 KKGE CC(C)CO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 2165531611 ORXVHRASMPUFCS-JIMOISOXSA-N 585.445 5.505 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2206396224 UNRFJMHCMYSIKQ-BCVALVRMSA-N 550.354 7.843 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCCC12CC2 2206396824 BFUFOHAMWBEQAS-XLKFXECMSA-N 550.354 7.987 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397819 NCXMOHCDTILNKF-CYBMUJFWSA-N 676.060 8.637 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2207261297 KKNZEMDIEUXUQR-ZDUSSCGKSA-N 595.294 6.963 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(I)sn2)c(Cl)c1Cl 2217611357 SBOPHIYDMISJQL-SECBINFHSA-N 517.828 6.799 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2csc(Br)c2Br)c(C)c1Cl 2224307026 JVJPEUUESPKBIF-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1I 2288480690 MJRXFJYYQDRTSS-LLVKDONJSA-N 540.342 6.562 50 10 KKGE CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 2296050404 LQTSVAPGCMWCAI-UHFFFAOYSA-N 521.693 6.242 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OCCOC)c1C 2296789903 AGLBJLSEKCJRPY-UHFFFAOYSA-N 503.627 5.198 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2296854736 CFDDSKDTLOUYFC-SFHVURJKSA-N 553.423 5.170 50 10 KKGE C[C@H]1CC(=Cc2ccccc2Br)C2=C(C1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504923 WSRKTDJYRJVWBN-FPTDNZKUSA-N 512.245 6.787 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1 2313567284 IBTXOOISGZEHSP-UHFFFAOYSA-N 580.910 6.336 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570665 CINHDIWRDOPKEX-UHFFFAOYSA-N 578.031 6.471 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313675842 WWFINKMZMOCBGV-UHFFFAOYSA-N 519.292 6.732 50 10 KKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2314482917 ZJFQVVNPXOQXQH-UHFFFAOYSA-N 534.541 7.771 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2314491957 UCAPJUPGHXHAKO-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592102 LVYBOPPPHDHWMU-VWLOTQADSA-N 568.482 6.466 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314618930 WYWVTQKNDLBGFT-PMERELPUSA-N 570.649 5.890 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 2314643393 WDOKGWRQQUUWEI-DHUJRADRSA-N 604.678 7.548 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)cs1 2317403013 KHHXVDPOSPSEOU-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(I)ccc2Br)CC1 2319215607 ZZIPJNPCVBTPFU-UHFFFAOYSA-N 589.106 5.735 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)nc2c1 2331046523 MFGVIRGLJKXOON-UHFFFAOYSA-N 501.926 5.427 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)c(Br)s1 2335289806 MQYAUQGIGNOERC-SECBINFHSA-N 576.732 7.966 50 10 KKGE COC(C)(C)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2369701396 TWIIRWFGIWPOBA-LBPRGKRZSA-N 598.793 7.378 50 10 KKGE O=C(/C=C/c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 1955426 IYXIQVMCIGFOSM-CYYJNZCTSA-N 538.647 6.285 50 10 KKGE CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)c(OC)c3)CC(=O)N2C1 9693589 HNRGHXZRVCTKMJ-HSZRJFAPSA-N 527.646 5.892 50 10 KKGE CCCC/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 12491443 WPMZLPLBPAJPIH-LHLOQNFPSA-N 518.249 6.454 50 10 KKGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCCc2ccccc2)cc1 14041881 HULHUBIXFPOFSG-UHFFFAOYSA-N 510.040 5.126 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C1=O 38607653 AWZNMTAQOIOPIU-NLRVBDNBSA-N 508.647 6.210 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655356 ZONWXRIBQNRBBS-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2cc1Cl 38688239 KGOIOLOVZPZJET-DEOSSOPVSA-N 515.909 6.049 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)CC1 38700427 NOFLCDMSKRQQTG-PDNQPUDYSA-N 522.645 7.599 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39858639 MEKSWTCOJIWNHE-JXAWBTAJSA-N 504.468 5.614 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100232041 HJQGPCZESSEXHF-PVEGLGLCSA-N 556.413 5.299 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 100238500 KIYNFFLUTFJYBZ-TVQDKGLESA-N 585.528 7.062 50 10 KKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)sc2c1CCC2 100921808 BNONKCPOFVNRHR-RYGJVYDSSA-N 598.195 6.038 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242066 HLDGALCQXZTWHU-RKZIHRPTSA-N 526.445 5.891 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244727 FBXCZXMPTGMQJN-OGCOBRASSA-N 538.456 6.457 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246696 ZWOIZOGCTCQANM-TUJXDINHSA-N 513.619 5.467 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 101367292 VLSQUDKPLDJCLG-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 101372331 UDTMWABYEXUSEN-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381163 JVHFISBJXNNBSC-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccc(Cl)cc5)ccc43)c2)cc1 101382512 YARKKWMOISGRLV-HKBQPEDESA-N 537.015 6.594 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382673 YAIVFVJAFZZGBY-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384382 QETNMEUILNDZJN-XIFFEERXSA-N 578.640 6.905 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387559 ZHDKRDMSHLQSDF-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388084 FNYHCKHWDWPSBT-PMERELPUSA-N 587.459 7.408 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389818 SMQVQIYZVIWZKB-BLEQRWLVSA-N 613.497 7.808 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(Br)c1 101391302 QJOZYWFZENVMCL-HXUWFJFHSA-N 572.267 7.408 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1 101392949 LBIPXCBJFYILTL-WJOKGBTCSA-N 576.580 6.905 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1OC 101713312 ONPKZEOJKTZEBR-LGJNPRDNSA-N 548.231 5.425 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(I)cc2)cc1 103877501 CWOQHXRMFCELLW-KEIPNQJHSA-N 611.483 7.400 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 105151269 WNGFURQSDKRHJD-FMFFXOCNSA-N 548.672 5.701 50 10 KKGE CCCCCCOc1ccccc1C(=O)NN=C1CCC(=NNC(=O)c2ccccc2OCCCCCC)CC1 105424645 LNOHDXBVWSJSJD-UHFFFAOYSA-N 548.728 7.051 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Br 130461223 UIUQXCQFSXWIMT-NSHDSACASA-N 503.879 6.828 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205654386 JBTYHPVSKKVSPN-BESXVYCHSA-N 536.628 6.394 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214315034 FDBJZGXIFZGNOD-NTFVMDSBSA-N 532.600 5.960 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C2=O)cc1 214392142 SFZMSRKOLQCHBJ-RHANQZHGSA-N 528.612 5.957 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 227847596 QKSMWFWKLDEVOA-ZETCQYMHSA-N 530.326 7.235 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cc(Br)sc3Br)c1)OCC2 232482942 AIRRDWGBZSPLRI-NSHDSACASA-N 531.889 6.455 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 252488496 ITFBYYCNYVFPKD-LLFQWFAPSA-N 541.736 6.743 50 10 KKGE in-vitro COC(=O)[C@@H]1O[C@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253588353 YPNOPKDREFSCOE-INKGWLFMSA-N 904.120 8.120 50 10 KKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=C/C(Br)=C/c1ccccc1 254372694 XRXJDTNHFBYTLP-KFGBAZESSA-N 505.488 5.461 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC[C@@H](Br)[C@H](Br)[C@]4(C)[C@@H]3CC[C@]12C 254387014 ZUDMAHKBJVVHNY-WXXALINWSA-N 530.473 9.245 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)c3cc(-c4ccc(C)cc4)nc4ccc(C)cc34)cc2)cc1 254523457 KKQYTZYIBJKOKN-UHFFFAOYSA-N 556.666 6.862 50 10 KKGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C#N 254525927 YEHDGKRKHMFPAA-UHFFFAOYSA-N 516.454 5.365 50 10 KKGE COc1ccccc1-c1cc(C(=O)NN=C(C)c2cccc(NC(=O)c3ccc(C)s3)c2)c2ccccc2n1 254624242 MTANPXUGERJCSH-UHFFFAOYSA-N 534.641 6.687 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1OC 254626631 JHNPPPLTJCRRSJ-UHFFFAOYSA-N 547.567 5.318 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(C(=O)NN=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)n2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254792765 ZEJVSWYIFILYLJ-UHFFFAOYSA-N 795.634 5.844 50 10 KKGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 254855595 PIIJOOKSJOQDFC-SANMLTNESA-N 612.752 5.159 50 10 KKGE Cl[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 255993929 PCQHHGZMQLZGQM-XCXNYGCMSA-N 559.102 6.923 50 10 KKGE in-vitro COc1ccc(Br)c([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1 382691222 MRSJIWGJKMOSBE-CRAIPNDOSA-N 530.200 5.245 50 10 KKGE ClCc1nc2c(Br)cccc2n1-c1ccc(Br)c(I)c1 383761935 OPLWIYPKISCFIZ-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CC(C)(C)OC(=O)N1[C@H](CC[C@H](O)CBr)C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1 504677308 KSKVPVAXSYPJEF-CBPXPLCBSA-N 504.421 5.168 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575626911 ACJHNDYFTFXEOF-MGUVBKNJSA-N 984.181 5.736 50 10 KKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CC[C@@H]3/C(=C/[C@H]4C5=C(CS4(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C5)CCC[C@@]32C)cc1 605692255 IIIFNYBSFCNRAE-UXQAKJGVSA-N 793.294 10.147 50 10 KKGE Fc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1I 721704073 HHVVJKITCHWRFA-ZDUSSCGKSA-N 558.954 5.454 50 10 KKGE O=C(Nc1ccccc1Oc1ccccc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237329 DLHCYUMXYYPQAP-RUZDIDTESA-N 544.982 7.511 50 10 KKGE CNc1ccc(C(=O)N[C@@H](CCSSCC[C@H](NC(=O)c2ccc(NC)cc2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 725239882 IESYFPWLMGBRNB-UIOOFZCWSA-N 646.876 5.512 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 725402994 QUQHWPZSKDIENU-UHFFFAOYSA-N 563.123 5.440 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)o2)cc1 725441146 QIXXUAAYODBEMT-UHFFFAOYSA-N 580.062 5.507 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccc(Cl)cc3)c2C)c(C)c1 1083908939 KESWWIPEYWMJMI-UHFFFAOYSA-N 504.881 6.369 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 1084127257 JWBAGCBERDUSRN-WOJGMQOQSA-N 512.349 6.425 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C 1084322314 NZJUHZWBCREWLF-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1084377874 UFPNDDRHOPLRQN-MUUNZHRXSA-N 805.835 8.278 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084521256 NSDIRBZFQXNNMC-UHFFFAOYSA-N 525.439 6.037 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 1084562025 AJCIIGPOKRRNGI-SDTGKQRSSA-N 561.314 5.180 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C(C)C)cc2)cc1 1084628962 GNACGGDAGLIQGT-UHFFFAOYSA-N 577.150 6.525 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747454 BXEHMIOXSMEWBR-UHFFFAOYSA-N 512.997 5.877 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434931 QYWAENWZQGVWKH-MVISZVHRSA-N 691.460 7.202 50 10 KKGE FC(F)(F)c1ccc2c(c1)N(CCCCl)c1ccc(N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc1S2 1848440886 ANASOMLELVHZLZ-UHFFFAOYSA-N 609.060 10.890 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865687139 KHOVQIIOVHMXMV-VWLOTQADSA-N 507.034 5.943 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865687310 OHJPHMKRZNKYDU-HHHXNRCGSA-N 575.496 7.642 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865689494 ASBQUPBXDZWCSC-MUUNZHRXSA-N 520.633 6.644 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccccc1 1865692565 CJHRTZIQWFQNPB-QFIPXVFZSA-N 512.532 5.754 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692637 ODEFZVUFQPEXQR-XMMPIXPASA-N 559.420 5.546 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1865694813 CGCOOPVOCAIECW-NDEPHWFRSA-N 508.578 5.304 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695073 JBDMNKHWYWKIQV-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1OC(C)C 1865697212 PRKGYOMXOZLZMH-HSZRJFAPSA-N 520.511 6.058 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706012 LRQZVAPVOFAMQD-HSZRJFAPSA-N 548.386 6.040 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865710894 KYYUILGLARLWFG-RUZDIDTESA-N 563.441 6.149 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711747 HHVZGOWWFHGDTQ-LJAQVGFWSA-N 560.610 5.945 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866583737 JEPLTINCWXSKFJ-RUZDIDTESA-N 546.649 5.343 50 10 KKGE Cc1ccc([C@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955025 DXQANTQRJDFSEB-KAYWLYCHSA-N 517.720 6.365 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)n1 1868253631 OABFMAHOJXWCDR-GDLZYMKVSA-N 528.081 6.788 50 10 KKGE Cn1cc([C@@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)c2ccccc21 1868433379 KAWYLWUUPQOXNS-MUUNZHRXSA-N 566.090 6.283 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)c(C(C)(C)C)c1 1872753659 IAAOMGOACBQRRY-LVWGJNHUSA-N 506.668 7.428 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(OC)c1 1872755194 CKQCTFKCIRRUDC-SOFNNGJSSA-N 521.820 6.503 50 10 KKGE Cl[C@H](c1sccc1I)c1c(Br)sc(Br)c1Br 1924579835 KSOIQRBBVJFDMO-LURJTMIESA-N 577.326 7.030 50 10 KKGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924609213 UDRGGDHSYBWHCU-XINAWCOVSA-N 531.911 5.049 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1F 2025779062 CDHPPBMDCXTPAK-FZYJTZEISA-N 558.703 6.921 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2037569124 ACJHNDYFTFXEOF-LCBGFPOCSA-N 984.181 5.736 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OCc1ccccc1C 2053623090 DPMWMSGWVXXSQU-UHFFFAOYSA-N 597.409 6.340 50 10 KKGE CO[C@H]1C[C@@H](C)CC(C)=CC[C@@H](O)C[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C)C(C)=C[C@@H]2CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C2)OC(=O)[C@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@H](OC)C[C@H]2C 2058790026 GZSLPFGJFXLWTP-UHCGFQLQSA-N 952.429 8.517 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085499502 IYNYUUKZEQCXJJ-XPUUQOCRSA-N 568.767 7.609 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)cc1I 2086140225 ZGCNWYQJHMSXBA-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE CCC[C@@H](C(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467757 BUIRPVBHBVKFHL-RMLUDKJBSA-N 540.359 8.089 50 10 KKGE ClCc1nc2cc(I)ccc2n1Cc1cccc(I)c1 2175855059 IDHYUYTWCLYSAF-UHFFFAOYSA-N 508.528 5.033 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@H]1C 2206397987 PGBYGEUUHVYPNR-PAQHHBPASA-N 598.793 7.232 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2ccccc2I)c(Cl)c1Cl 2224317324 MKLLVXYCXAHOIB-LLVKDONJSA-N 510.811 7.342 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCCC[C@H]32)c1Br 2224951256 VABSUENKWMRHQR-IQOVXZNZSA-N 537.937 6.677 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245969834 WSJKLNYJEFXHQB-ZDUSSCGKSA-N 504.060 5.566 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2264376958 LNKJXKJOMFXEQE-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(F)c(Br)cc2F)c1Br 2267217986 OQBUNFNMTVOXIK-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE Cn1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)nc1Br 2272726404 NSOWWCMUKZCIKG-MRVPVSSYSA-N 523.795 5.470 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Br 2283568548 OPZHJMDYSKAIPJ-LLVKDONJSA-N 540.342 6.609 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293198285 QHDXEQMIJOEQPL-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Cl 2313521495 RZOAUGDBKOEGRB-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 2313521531 VAHIYYNFLKWCQQ-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314486322 CEZYEDOQYFLIJY-UHFFFAOYSA-N 567.457 8.140 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 2314571161 BZTKFTRPGIQSSQ-HNNXBMFYSA-N 505.552 5.763 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592097 LUEFTDRCHKAMQU-RUZDIDTESA-N 518.038 6.112 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314618535 PEZHGJFMFPVOAR-HSZRJFAPSA-N 543.421 5.073 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618640 QUDCPMMVHIRIKW-UHFFFAOYSA-N 538.648 5.654 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618776 UFMCMTHVURCTKQ-OAQYLSRUSA-N 510.565 6.157 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314620050 JUSOOXFRTJJUOU-UHFFFAOYSA-N 532.575 5.870 50 10 KKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c1 2314770532 GZLPPQJSOGEORL-UHFFFAOYSA-N 514.416 5.981 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 2314772597 NHQMHUKECLSQMN-UHFFFAOYSA-N 529.431 5.307 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2337093349 DEFUBQXCRDPPAN-GOSISDBHSA-N 563.486 8.067 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccccc1I 2339680857 BLRXPJMBPIYXIR-CYBMUJFWSA-N 518.389 6.592 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362230051 XBIQJEWQFGWIDT-LLVKDONJSA-N 556.797 7.076 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256497 XSHOWCNRMYMWEW-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@@H](Br)[C@]23CCCC32CC2)c1 2364106000 GMUBIYZHGSASAV-IIAWOOMASA-N 512.023 5.919 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 2369433303 MMTPJYFMEGORNR-HNNXBMFYSA-N 509.160 5.568 50 10 KKGE CN(CC[C@H](Br)c1cccs1)Cc1ccc(I)c(Br)c1 2377323447 FHQCMWFRQFTFSU-LBPRGKRZSA-N 529.079 6.073 50 10 KKGE Brc1cc(CN2CCC[C@@H]3CC[C@H](Br)C[C@H]32)ccc1I 2377334429 JQBAHPYURBMBJU-DVOMOZLQSA-N 513.055 5.582 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/c3ccc(OC(F)F)cc3)c2C)c1 12558484 KJHCSNUDJKZETE-KEBDBYFISA-N 508.477 5.059 50 10 KKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 13969631 QWJJWSSNHOADAX-NXMZODBASA-N 508.192 5.828 50 10 KKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 14038618 HLXKMFONQGNNHO-SFHVURJKSA-N 519.395 5.263 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 20352823 SZZBJQZWLYDWBU-HGDZLRTMSA-N 515.610 6.042 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38656048 HHJAOSRBNOQMNQ-SGANQWHYSA-N 509.389 6.147 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679988 CJHBGZRJTIILPO-IZHWHUGBSA-N 509.389 6.147 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38680011 PPGHFSLBABSLGA-IVCQMTBJSA-N 523.416 6.708 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1 38685305 OLGXRYGYORYIQO-MUUNZHRXSA-N 502.542 5.597 50 10 KKGE C[C@]12CC[C@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@H]1C[C@@H](Br)C2=O 44964238 ADSWXPLGWUHJRG-NYRLNPFESA-N 507.060 5.716 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCCCC)c(OC)c2)c(OC)c1 98027963 MLIBOGADWLKNTO-QRBIQNAOSA-N 504.583 5.101 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)c1 100190827 NJRNYMGILPKPBF-UHFFFAOYSA-N 550.519 5.020 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 100336291 MSTUGPLUHDEFNK-OCKHKDLRSA-N 560.275 7.506 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 101033225 VQPDAWFSLOWSDE-NBVRZTHBSA-N 528.037 5.778 50 10 KKGE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 101035522 PEIDDAJAEJKBSN-AQTBWJFISA-N 537.132 5.609 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101338848 PQLIBEULYFZSTR-TWKHWXDSSA-N 548.687 6.889 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381207 YNMSBKOJCFZBJB-WJOKGBTCSA-N 601.486 7.392 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101385961 DPSNCENOHCYGOK-HKBQPEDESA-N 603.458 6.784 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(F)cc1 101387011 BYRNLINAWAGJCW-GDLZYMKVSA-N 601.428 6.613 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387691 KNOGWTJYCMGBEC-UUWRZZSWSA-N 576.649 6.484 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(C)cc1 101398985 BUUGFUZIGGVRGU-YTTGMZPUSA-N 586.600 6.126 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccccc2[nH]1 102842620 GXTBJJZMOIXQBO-NMWGTECJSA-N 534.645 5.654 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103741681 IBOJOJXKNCSZBK-KVHSSYOWSA-N 538.854 6.167 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 103796529 WWJADFGHWSNKTQ-KVSWJAHQSA-N 548.220 6.854 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)OCC 103877537 BKZILPFAXYYCDP-MZJWZYIUSA-N 529.387 5.028 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(I)cc1 150429359 FOBIOHPNEZVFIO-HOFFDHMBSA-N 677.377 6.724 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433171 PULQRSDOPCHMST-YTTGMZPUSA-N 662.482 7.082 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150483232 OKWVOPNCXBBVHM-MUUNZHRXSA-N 642.322 8.325 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C1=O 214233373 USTDPHWAIRLYSE-RRAHZORUSA-N 522.649 6.501 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214310075 HLEQZIRDBYYCAF-DICXZTSXSA-N 513.601 5.652 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(CSc2nc3ccccc3s2)cc1 254515407 BPUTWWDFMADSSV-UHFFFAOYSA-N 551.722 7.267 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 254592728 HPGLTTJTLQSQLR-UHFFFAOYSA-N 530.628 6.524 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cc(-c2cccs2)nc2ccccc12 254789425 RGNZETRLMIVDPV-UHFFFAOYSA-N 548.671 8.338 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1cccc(NC(=O)C(C)C)c1 254797138 BILXFFCBTRHXRN-UHFFFAOYSA-N 519.432 6.957 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCC(Cc3ccccc3)CC1)[C@H]2Br 256019967 PCYCEIGAOGPNNM-HSQYWUDLSA-N 562.184 6.154 50 10 KKGE CCCCC/C=C/C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C\CCCCCCCC 256109252 LIBNDJOBAGMROQ-YRIJRZHASA-N 637.430 12.531 50 10 KKGE ClCc1cc(Br)cnc1Oc1c(I)cc(Cl)cc1I 311458651 FGKHQXMYVCHTOE-UHFFFAOYSA-N 584.804 6.238 50 10 KKGE Cc1cc(C)c([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 312543442 IMPHHTRCRPZCKO-MRXNPFEDSA-N 528.453 7.117 50 10 KKGE C=C(O[Si](C)(C)C(C)(C)C)c1ccccc1CC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 504029854 KNWVLYGDXDBPKS-IZAFSRJPSA-N 670.486 12.747 50 10 KKGE in-vitro C[C@@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504665254 SUVWZBGOTVFJCI-UVMMSNCQSA-N 644.178 11.128 50 10 KKGE in-vitro COCn1ccs/c1=N\c1cccc(C[C@]2(C(=O)OC(C)(C)C)CC[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)n1 575370563 DKBLGYUKIHIXKJ-KOECZJFFSA-N 671.980 7.171 50 10 KKGE CCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1CC 721570873 BRSFBGWBNSMYNA-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE CCCCCCCCCCCCOc1ccc(C=NNC(=O)NC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 1081167885 HHBJKCPXKOXLTO-LUAMTJFESA-N 571.850 9.218 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1083908899 UPPBQXPXIYVNFX-UHFFFAOYSA-N 584.967 8.470 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1083943480 JPXUVPAPTLNBKH-UHFFFAOYSA-N 552.252 6.506 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(C)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1083955986 OEFZGKDIVJQCJO-UALAUUDGSA-N 541.717 6.612 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1 1084025008 ZBYHAJDGTCNWGF-JOCHJYFZSA-N 611.249 5.736 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084064011 SKGKKRXDZVQHHV-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1 1084311920 STUIYNCKZNATHL-UHFFFAOYSA-N 675.954 8.062 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 1084312686 NPEQISXEBKBSEP-QHCPKHFHSA-N 511.416 5.391 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc2ccccc2c1 1084459152 ZNASEEYFRBFHQS-UHFFFAOYSA-N 605.738 8.686 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CI)C1 1614615094 LKRMBVJDPZCMCF-SMDDNHRTSA-N 523.255 6.110 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686197 SGLNVHYJAPAJOJ-SANMLTNESA-N 511.025 6.602 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865686953 GBRNRVVRQHHVKA-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694779 BHVKCXSTLDFGKE-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865696082 BVMPFAMWISHFID-MUUNZHRXSA-N 536.632 6.262 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701474 WKZKVARORZDIHS-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701485 WPYNPAWFJVYURV-LJAQVGFWSA-N 519.004 6.785 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702952 JHQJOSCSBPODSH-JGCGQSQUSA-N 568.677 7.021 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1Cl 1865703956 JNRGVLIJQHWWJF-DEOSSOPVSA-N 513.425 5.960 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704420 VIRSANGTPLRLSW-HKBQPEDESA-N 561.085 7.488 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704456 WJRMQKZQXUVACG-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706291 SJMZRHWQDTUHRM-VWLOTQADSA-N 541.995 6.004 50 10 KKGE Cc1ccc(C(=O)CCC(=O)N/N=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c(C)c1 1865762640 UBSULLAPYXIFAP-MNBJERMJSA-N 502.014 6.104 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1OC 1868231591 LSXDJJGICWHWRF-IFMALSPDSA-N 505.644 5.636 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)n2)cc1 1872781587 KUTWHVCUZGUXLD-FYJGNVAPSA-N 521.469 8.331 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 1912971428 PMYCAUVEWRVZGE-ZETCQYMHSA-N 510.896 6.285 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2sccc2c1 1923047216 BEYYGKMIJJMVQA-SNVBAGLBSA-N 501.490 7.626 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)ccc1I 1925588718 PUMPXKIABOKUQU-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccccc1OCc1ccccc1 1925594699 PDTJSTNVSVPTGZ-HNNXBMFYSA-N 507.074 7.881 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)s1 1948824199 VZGWRJZRDGXYAR-JTQLQIEISA-N 571.297 7.015 50 10 KKGE CCc1nc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 2050332462 ZGQHRTNMVZOERY-YFKPBYRVSA-N 603.819 7.301 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1Br 2072061017 KRMWOWHYIZGZHF-LLVKDONJSA-N 519.878 6.529 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2sccc2I)c1Br 2081057821 AZQZMVRQJSWJCU-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE CC(C)(C)CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496694 XTAYAMPVFKGADG-SSDOTTSWSA-N 570.783 7.999 50 10 KKGE C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123246961 GNLZDZODXNSSJZ-ZDUSSCGKSA-N 505.247 5.473 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1ccc(Br)cc1Br 2138848740 HLSSDSLETIVKPD-LBPRGKRZSA-N 515.840 6.792 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)Cc2ccccc2I)c1Br 2138871089 MDBHODHRRASDJL-CYBMUJFWSA-N 514.426 6.647 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cccc(Br)c2Br)c1Br 2148754210 ZEQRCFLCOXXZQJ-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)ccc2Cl)c1Br 2201068957 IRJFXMLCJBZZLS-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2201881616 PPGZFDRQZXJMDX-PNLAZUSQSA-N 527.525 5.530 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1Br 2202351893 KVGIKWFHYUDZFF-CQSZACIVSA-N 548.294 7.120 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2203011680 PQWKLYKMQYPFOO-CYBMUJFWSA-N 548.294 7.120 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2sccc2I)c(Cl)c1Cl 2217616951 BLTKGVXUQJERGO-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE Clc1csc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2224324476 VNNLQJHEASDXMI-ZETCQYMHSA-N 504.285 8.262 50 10 KKGE Cc1c(F)ccc([C@H](Br)c2cc(Br)ccc2I)c1F 2231077514 AHIZCDXETSJUPT-ZDUSSCGKSA-N 501.934 6.125 50 10 KKGE Brc1ccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236083670 ATGIBATXUBAFSS-OAQYLSRUSA-N 549.243 5.192 50 10 KKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277893305 ZUBBASOLFOFMKQ-GFCCVEGCSA-N 515.840 6.792 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1I 2288494507 HWTWUWBAMBRJIR-NSHDSACASA-N 601.248 7.232 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)c(Cl)c1 2288494592 JAVOWYVRXKCWGY-LLVKDONJSA-N 554.248 7.390 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)sc(C)c1C 2295274509 LHOICGZXOMKCMR-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE N#CC(=Cc1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551451 KXWWOARRECFKBG-UHFFFAOYSA-N 517.463 6.891 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)NN=Cc1ccc(F)cc1 2297640068 OGTIBPYTYVFTQL-HHHXNRCGSA-N 629.520 6.723 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(I)ccc2Br)s1 2301083762 LUVUZPWCRUDUNA-JTQLQIEISA-N 618.297 6.858 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591734 CNZNJPJHRCXSMJ-QHCPKHFHSA-N 538.456 6.375 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593436 MXLHXIRGDYJAJN-CJAUYULYSA-N 551.590 6.018 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314594119 ZIEKMOCFRPCMNC-RXFWQSSRSA-N 516.066 6.261 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 2314643380 VPXNSEBBJTUFRS-UUWRZZSWSA-N 576.624 6.949 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc(Br)c1O 2320488228 LBBJDAWPLCDLOC-UHFFFAOYSA-N 559.467 5.091 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1 2331460504 JDWHFEUQEWOUCO-UHFFFAOYSA-N 522.714 9.111 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1C 2331484472 QHISIFORTDNGBU-UHFFFAOYSA-N 505.640 5.219 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc(Cl)c1Cl 2339055381 WXMNOZMHMZDBBI-FQEVSTJZSA-N 515.072 8.128 50 10 KKGE Clc1cccc(CBr)c1OCc1cc(I)ccc1Br 2341780206 OFUMDYOQCVYZSU-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Br)cc1I 2360487845 YNUJDBWUBLWKAC-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)c(C)s2)c1Br 2365186027 MUWDGHMXMAPEKT-CYBMUJFWSA-N 503.481 6.989 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2csc(Br)c2Br)c1 2381257764 IVZMBXQKMNJESW-LLVKDONJSA-N 547.932 7.091 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974894 JGLONJHNAQIMKF-XMHGGMMESA-N 505.552 5.753 50 10 KKGE CCCCCC[C@@H](I)CC[C@H](I)CCCCCCCC(=O)O 11616645 ITMYMILZKSEQKJ-IAGOWNOFSA-N 536.276 7.160 50 10 KKGE in-man CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 38604384 IXCRKGNUJMDMPL-LPYMAVHISA-N 500.986 5.592 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccccc1Br 38678969 VINSJHWREJUMSI-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686341 KFIBBCRDSUFSEB-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686596 FHEIGOOPSXPCMO-NDEPHWFRSA-N 519.513 5.611 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c1 39858842 ZBYIOMRHKRAEPU-ATVHPVEESA-N 505.361 5.956 50 10 KKGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 39858887 OOYBQOHTAKHBQP-LGMDPLHJSA-N 501.340 5.103 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 40911610 QKNNZCPHPIDHBG-FJEPWZHXSA-N 515.437 6.408 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100172630 CKVPUQUOUCIBHL-UHFFFAOYSA-N 594.550 7.033 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174962 FQCOJHPYUKYJTP-UHFFFAOYSA-N 568.649 5.137 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(-c3ccccc3)cc1)[C@@H]2Br 100869334 NCUCUESPJQMNGE-WTNAPCKOSA-N 556.136 6.978 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101307066 TWHJDEDZKHYUIC-ISBBRVAOSA-N 549.410 6.404 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101307497 OXQJGGUNUNDJIN-MHZLTWQESA-N 587.426 6.515 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365166 ZLQUBKIYWAZRBB-QHCPKHFHSA-N 546.204 5.958 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101368149 NWDWQKWUVAWHME-BGOLNKOXSA-N 556.659 6.418 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 101374484 GERWRQIOOIVENN-WJOKGBTCSA-N 542.632 6.165 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OCC 101374556 YTLMDUCEJMIUOB-PMERELPUSA-N 542.632 6.490 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101390341 NMDRVOURGJYMMF-NRFANRHFSA-N 523.397 6.654 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 101393577 IAKZDLHGHQLHON-DEOSSOPVSA-N 531.362 5.950 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101479327 PHOYPXBUTZCVTA-UHFFFAOYSA-N 567.562 8.342 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@H]4CCCO4)c(=O)oc3c2)cc1OC 101702219 DQLUPZMQKMLMEP-XSZPGNIMSA-N 574.630 5.182 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 101719544 JBCIUFOQRSAZOM-HFTWOUSFSA-N 572.506 8.682 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 101727348 FOGMFYQLAWHVIT-YSURURNPSA-N 540.892 5.876 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 102276813 BIABGVGJZNKVBT-LHIMNYKOSA-N 558.934 5.158 50 10 KKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 102850543 ZTPVIAROKAUCPY-LGMDPLHJSA-N 542.798 5.241 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741407 XFURYMABJNNPLQ-CSRGTXSUSA-N 526.239 5.745 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 103877167 GRZGNNPSWQIATQ-ODNPBWNPSA-N 572.467 8.242 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c1 104034320 BPHFTINOECDHMN-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 150382950 HORMKRAHDMNWIL-CNIQOEEMSA-N 690.319 6.592 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 150410008 UGPXZXUSTHZEML-UHFFFAOYSA-N 639.616 6.373 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 150422836 NNZFDQFQVZZGTE-VCHYOVAHSA-N 648.251 6.485 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433798 JOBGMRQQDVRCGS-MGBGTMOVSA-N 669.561 9.080 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485774 ZVAMMVOFYYNQFM-XIFFEERXSA-N 631.512 7.400 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485825 VZFIFFQBNFSQJN-JGCGQSQUSA-N 651.930 7.745 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 150497465 PCSKWRXHQUPMQI-GOJREDGKSA-N 666.734 6.443 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)c2ccc(C)cc2)cc1Br 164603222 GVWIXFBJPFNZAG-KCSSXMTESA-N 671.411 6.688 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1 164649181 ZCMPISKWECKGGS-KKMKTNMSSA-N 748.096 6.590 50 10 KKGE CC(C)[Si](O[C@H](CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CNC(=O)OCc1ccccc1)(C(C)C)C(C)C 198506329 MRVOIEYECPFVOP-DNQXCXABSA-N 552.785 6.232 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C1=O 214352799 NMFKKKKZBCRBLM-IMRQLAEWSA-N 506.606 5.805 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C2=O)cc1 214403176 KJPJPPFKCWVBQC-TZLHSLJVSA-N 584.676 6.015 50 10 KKGE CCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(Cn4nc(C)cc4C)c3)c3ccccc3n2)cc1 252607345 HAXKDCWTTNDGIJ-UHFFFAOYSA-N 533.632 5.935 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 252643326 ZUGPCYLPQLXTGU-UHFFFAOYSA-N 562.047 5.213 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253563290 FGOGLNFNIPEPKM-UHFFFAOYSA-N 664.617 6.511 50 10 KKGE O=C(NN=Cc1ccc(N2CCC(c3ccccc3)=N2)cc1)c1ccc(COc2ccccc2-c2ccccc2)cc1 254340481 MCGFHXVZUOXSBK-UHFFFAOYSA-N 550.662 7.311 50 10 KKGE CC[C@@H]1CCc2sc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4oc3=O)cc2C1 254440622 IFUWALWMUYDWSQ-LJQANCHMSA-N 522.630 5.986 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2cc(Cl)ccc2O)n1-c1ccccc1 254508316 IFIIBFVKCFWFTC-KRWDZBQOSA-N 555.491 5.831 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 254701368 ACPLARQGNNTOOO-UHFFFAOYSA-N 500.606 5.760 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254708483 IPVPNZCWFBLEME-UHFFFAOYSA-N 692.769 6.473 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591081 WUUPISRMPWBNRI-FRVBANDSSA-N 744.913 6.611 50 10 KKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1ccc(Br)cc1 719437486 HBSOUWYQUJNDRO-MRXNPFEDSA-N 519.115 6.720 50 10 KKGE Fc1cccc([C@H](Cl)c2cc(Br)ccc2Br)c1I 721681858 VIKQKWLUNIATAA-LBPRGKRZSA-N 504.362 6.284 50 10 KKGE Cc1noc(C2CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)n1 725238545 MJPQFVSZMIZORA-FQEVSTJZSA-N 526.968 5.178 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817431 AQLURWHBCUUICR-PKZFSVIOSA-N 710.852 7.267 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OC 1083903354 QRDDSICWMLXVBP-NTUHNPAUSA-N 528.186 5.252 50 10 KKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1F 1083959450 PREVTLXYEVPIES-UHFFFAOYSA-N 504.359 6.410 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1cccc(C#N)c1 1084594936 VNDOXMVPWWAZEC-UHFFFAOYSA-N 557.242 5.825 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc(Br)c1 1084610179 WNBBPRHFOZKWMK-UHFFFAOYSA-N 603.479 6.368 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536938 DFUXHMHWOWANRY-GYCPEVINSA-N 567.836 10.525 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCN(c6ccccc6F)CC5)c(C)c43)coc2c1C 1772751615 HRMFJINUMYSCFV-UHFFFAOYSA-N 556.638 5.452 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C\[C@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848433048 OFDIKJKJPJTORF-XSTNWLMYSA-N 705.251 11.282 50 10 KKGE C[C@@H](N=[N+]=[N-])[C@H]1O[C@@H](Cl)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1848435227 KAPPXTKBLHJLHL-WPHIXOMYSA-N 508.018 6.405 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682124 GLSGDIMDRBEGQY-AREMUKBSSA-N 504.977 6.573 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684250 ONKNMFHBTAKWAP-GOSISDBHSA-N 500.194 5.178 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OCC 1865687333 OTHRVEIJVKJLMV-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865695898 VIOIXHBHCCRMJU-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699635 YVLGZYQVUMCMRN-NDEPHWFRSA-N 515.617 5.934 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 1865701057 KQAYFSZBQWOPDY-MHZLTWQESA-N 547.442 6.352 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865704495 XEFXKZSNFYATDJ-QHCPKHFHSA-N 513.425 5.968 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705059 LADVZBISMXOALZ-NDEPHWFRSA-N 575.024 6.639 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705253 PMDHNOCVQIAIHZ-LJAQVGFWSA-N 534.660 6.307 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706251 RIDLIPRLISWRJV-QHCPKHFHSA-N 531.931 5.526 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706516 YHPQMYSXZHWSNJ-AREMUKBSSA-N 527.024 6.202 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865710623 CRQDQNDVWOUTIS-SANMLTNESA-N 508.578 5.151 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866633435 NMVBVBIVCLONDK-NRFANRHFSA-N 561.714 5.312 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)Cc1ccncc1 1867087465 MEYBBTLUEUPYTG-SANMLTNESA-N 545.665 5.278 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccncc4)C3)n2)cc1 1868528013 MUAOBGKKKFNTSQ-RUZDIDTESA-N 510.623 5.832 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1Cl 1872794600 LEVBIZRPAFQRCL-SRZZPIQSSA-N 507.442 8.077 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915296453 UMFMQWAICBNJDN-QGZVFWFLSA-N 518.087 6.274 50 10 KKGE Clc1ccc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923055152 PPRLTZFRXKLHAU-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE O=S1(=O)CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924616582 QNBBASVMTLTVSG-MRVPVSSYSA-N 501.487 5.140 50 10 KKGE O=C(N[C@@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2049399359 BEKZNCOFLFMFHP-HRHVFIINSA-N 812.890 8.391 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1I 2053623469 ZYEYGAPUTBVOMG-UHFFFAOYSA-N 623.572 5.402 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2110726340 CQVUZLHHEQSIPS-SECBINFHSA-N 536.287 6.154 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3sncc3c2)c1Br 2120655001 BOSAKFDOXXNRMA-SECBINFHSA-N 546.929 7.130 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(I)ccc2Br)cc1Cl 2139427285 WDRZVNYGARAYTO-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC[C@@H]2CCOC2)c1Br 2141470171 YZLWLSUJHPHOJB-HTQZYQBOSA-N 584.766 6.989 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C(C1CC1)C1CC1 2141478027 VOFUFCIAYPPBLJ-AWEZNQCLSA-N 536.327 7.453 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206396436 WQQRLGJRSVACDQ-NJRKRBMHSA-N 602.731 7.464 50 10 KKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401677 YUVSHESLDGMJOW-RDDDGLTNSA-N 598.793 7.378 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2206605631 QRIPQDNECFGHEB-CQSZACIVSA-N 530.425 6.461 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c(C)c1Cl 2217614118 VHABKFSALLPTAD-LJQANCHMSA-N 500.683 7.844 50 10 KKGE COC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(C)C1 2266351482 UZWALJDCUIJJLA-SKPUXYCPSA-N 540.315 6.832 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Cl)c(I)c2)c1Br 2283572457 DBCZNRXCVAAKKX-SECBINFHSA-N 560.398 7.272 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(OCc2ccccc2)cc1 2295880049 IGLBHGJUOXDBDH-UHFFFAOYSA-N 508.599 6.716 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N1CCOCC1 2296706630 ATYKZBXFRZJFHI-UHFFFAOYSA-N 508.553 5.023 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(=O)OCC)c1C 2296790062 LQYUEYNBAOJCTO-UHFFFAOYSA-N 512.569 5.418 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313562558 WTBDKRDCPUXCPN-UHFFFAOYSA-N 528.642 7.699 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570752 FNKRCRNCOGKYIG-UHFFFAOYSA-N 586.700 8.687 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C)cc1 2313571179 PECJKRZTMWMEBA-UHFFFAOYSA-N 607.275 7.430 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 2314414645 HKPBOSDXIYHTTG-UHFFFAOYSA-N 545.042 7.626 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448009 DGGVAZXODBUIRG-NRFANRHFSA-N 525.078 7.583 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2314532257 IDEOBNHEYWAKJD-UHFFFAOYSA-N 511.752 5.993 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620588 RNWVEZWTTHUCBE-UHFFFAOYSA-N 554.672 5.587 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646979 XJZAWZMVSMBVPC-SANMLTNESA-N 639.133 5.508 50 10 KKGE CCOc1ccc(-c2c(C)sc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c23)cc1 2320729566 NTDFRBMPVDFYMQ-UHFFFAOYSA-N 500.605 5.354 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c2ccccc2)cc1OC 2331294041 JJXICINCDUCHCC-UHFFFAOYSA-N 501.007 7.514 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1 2331325172 RSTZZJKWUOOQLE-UHFFFAOYSA-N 509.543 5.578 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 2331402844 XPLHTTVKCGRIFP-LJQANCHMSA-N 517.607 5.458 50 10 KKGE Fc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362222166 ARBBUZYTLRUJRH-JTQLQIEISA-N 601.248 7.232 50 10 KKGE Cc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCCO3)c(O)c1 33354695 QLQGBFJRKWYBFW-JKSUJKDBSA-N 535.026 5.317 50 10 KKGE CC(=O)Nc1sc(/C(C#N)=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1ccc(C)cc1 34983045 MXVKHYULLBZKTQ-UYRXBGFRSA-N 504.593 5.049 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)cc1 35446190 BGPPLUJGFMKKNE-ZXVVBBHZSA-N 521.624 7.378 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38654532 DXZSYRHOQBWGEF-QHCPKHFHSA-N 512.305 5.104 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678735 GOXGAQIROSNFIS-DEOSSOPVSA-N 503.352 5.451 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc(C)c1Cl 38680504 FPYDQAOKHZWFAM-QHCPKHFHSA-N 513.352 5.952 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCCC(C)C 38684347 GXBGUYQSMIPCDB-SANMLTNESA-N 504.608 6.009 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC)c(Cl)c3)ccc21 38700841 JXVFTYNMVBVLNR-SANMLTNESA-N 504.970 5.965 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 59417804 BUWBXSVRCOKFFG-ZRPFTQSCSA-N 510.997 5.142 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(CC)cc1Br 100186782 DUQPKACTRIAOLR-UHFFFAOYSA-N 615.388 5.448 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1 100233953 BIMZAKPNYCPMDB-GJVLPJBHSA-N 545.421 5.061 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)C(c1ccccc1)c1ccccc1)[C@@H]2Br 100922421 NGDVYHZVEQRLBY-YGOYIFOWSA-N 613.188 5.652 50 10 KKGE O=C(NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Br)cc1 100947960 VSZYJQAGSQJKMD-UHFFFAOYSA-N 523.390 5.801 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 101243540 FLSVDXHRVUEYES-MILRPWDDSA-N 539.701 6.341 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101334944 WGTAKBHLKBYPAK-WGOQTCKBSA-N 532.575 5.870 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101366936 YMUJRTHVNIGINC-AREMUKBSSA-N 551.393 5.059 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373620 YBCSLOOAXOBGMJ-DTDRWLINSA-N 552.671 7.009 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C(c5ccccc5)c5ccccc5)ccc43)c2)cc1 101382533 GDCHLXUEPOCHJB-BHVANESWSA-N 578.668 7.530 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(C)cc1 101385130 VSKOBVXHLYZEMD-WJOKGBTCSA-N 548.595 6.029 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386073 CESFAALJEQDFBP-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388191 MACSICBJLFKDMM-MFISVEIKSA-N 635.160 8.452 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389232 VVQJTTVAAQZXCO-HKBQPEDESA-N 550.586 6.549 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390022 QFZTXXZACBNBKG-HSZRJFAPSA-N 569.897 8.422 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101391941 JAPNYIJUABINEA-FQEVSTJZSA-N 562.261 7.952 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccc(F)cc12 101398014 DTFNKOSXJBBPAW-PMERELPUSA-N 615.444 8.204 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-] 101479306 NIVHXXGZFCUUKX-UHFFFAOYSA-N 577.568 7.797 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccccc1 101766101 ZFESXQIWWQAOSI-XODNFHPESA-N 531.834 5.836 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Br)cc1 102006970 SWPLNLZLCPNNQJ-LGJNPRDNSA-N 525.428 5.155 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OCc1ccc(Cl)cc1Cl 102932949 WDBGKLFQOXXANY-CXUHLZMHSA-N 555.767 7.799 50 10 KKGE COc1cc(/C=N/NC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1OCc1c(Cl)cccc1Cl 150349090 VRPMRFUBJYIIFK-HIWRWHBISA-N 661.340 5.230 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 150409793 VQBBOIRBOHRWRX-LUOAPIJWSA-N 736.980 6.327 50 10 KKGE N#CCCN(CCCCCCN(CCC#N)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1 150421150 LVAKJRDDJHCLQG-GPAWKIAZSA-N 664.660 6.449 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Br)NNC(=O)COc1ccc(Br)cc1Br 150421602 MQQMAWQFACUHJF-UHFFFAOYSA-N 800.137 5.220 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432806 XVBOWYHLERXZQT-CYGOHLJFSA-N 682.387 9.115 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 150482304 YYWLPQLKBPRZGC-MGBGTMOVSA-N 645.539 8.197 50 10 KKGE N#CC1=C(N)n2c(s/c(=C/c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)c2=O)=C(C#N)[C@@H]1c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 150555993 RYCHZRJRQYBFLB-ABNBKUNMSA-N 783.018 7.168 50 10 KKGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 159253183 SYYJGEMJZYLOOB-KRPUJQTQSA-N 729.649 6.055 50 10 KKGE C[C@@]12CC[C@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@H]2OP(=O)(O)O 169304594 ADFOJJHRTBFFOF-UKPGDCENSA-N 520.390 5.299 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 169682244 ZODHPXNJFNZLJV-VQMPLJJOSA-N 597.722 9.946 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 214408159 TZAKMWBAHUTMJU-QRQIAZFYSA-N 578.619 6.789 50 10 KKGE Cc1c(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 252593794 BMAJEVFWGDPFGZ-YHYQKYPGSA-N 518.642 5.981 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254289102 DAPCBHJHLFBTCO-DUSONWLRSA-N 539.705 6.538 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 254410629 XAFZMWIYFMFGPV-UHFFFAOYSA-N 503.649 5.606 50 10 KKGE Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(-c2ccccc2)cc1 254435004 VMOMMCYGWIFUIQ-UHFFFAOYSA-N 524.624 6.380 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nnc2-c2ccccc2)cc1 254521613 LZEPFMALTDODCB-UHFFFAOYSA-N 507.619 5.729 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(O)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@H](O)[C@@]1(C)O 255973350 GAYMGJQYVVDZLC-FLBLIDKHSA-N 965.425 6.690 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 256028271 BWUOVYRHWHODDW-UHFFFAOYSA-N 578.558 5.400 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(Cl)cc1Cl 256028488 PPOJQCYBHQUUAW-UHFFFAOYSA-N 638.396 7.104 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(I)ccc2F)C1 382734171 WBGKFTJGRVSKJZ-PBHICJAKSA-N 518.164 5.177 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586302 HKOFRLLVGWKTHV-TXVWBRJLSA-N 560.801 5.253 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1scc(Br)c1Br 705449322 YRUDPJSSWSKNPO-LLVKDONJSA-N 533.905 6.837 50 10 KKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 721619503 GYXFUIXAEZMPDB-QWRGUYRKSA-N 515.027 5.126 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 885767264 OOEFJWPTKXCMDU-BKMMYFMXSA-N 639.126 11.358 50 10 KKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 1084083106 KROAXQOYHWCBKS-UHFFFAOYSA-N 521.016 7.415 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 1084121204 POKQTHCDGNQSLY-UHFFFAOYSA-N 517.383 6.196 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1cccc(Cl)c1 1084244014 GJCCTUUWEJXJQL-UHFFFAOYSA-N 518.105 7.070 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1084409548 OCSYNPIRFDMATP-SRZZPIQSSA-N 623.301 6.236 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 1084494287 RTFHUHZRQYBXLD-DEOSSOPVSA-N 545.421 5.061 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)c2cccc(Br)c2)cc1 1084509524 GGLCBEITTNDYKK-UHFFFAOYSA-N 554.388 5.122 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084555554 GHGZANXEEZEDCH-UHFFFAOYSA-N 655.571 5.228 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1cc(Cl)ccc1Cl 1084563942 AAORXSUJAZZHQY-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 1084622522 CZBFJSIXXONFEI-UHFFFAOYSA-N 627.166 6.916 50 10 KKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=c1cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 1565518358 DBYWAKKUTOQNDY-SANMLTNESA-N 591.774 6.706 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743866 MOQOUHGQCKUJPV-UHFFFAOYSA-N 538.442 6.252 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 1772756026 XTPSEOVWFCJHRB-UHFFFAOYSA-N 542.268 5.533 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665502 QAKZCDKFOJOVRK-FNOCPIAGSA-N 568.624 8.763 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682537 QYPMNGNYMJSTCX-MHZLTWQESA-N 536.994 6.771 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 1865685480 JNCISUCRSLDYBC-XMMPIXPASA-N 501.417 6.740 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1 1865687562 VABFKHJEBPJOPB-AREMUKBSSA-N 543.421 5.749 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Br)c1O 1865687991 GFPXPLMNHWEQIR-QGZVFWFLSA-N 535.320 5.285 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865690427 QUPSIOJCDYBHPA-SANMLTNESA-N 555.476 7.089 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693548 KODVJSVSSSWQNI-QHCPKHFHSA-N 503.389 6.463 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695748 SHDPVABJSNJWTN-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OC 1865696492 NZUAXUFBNHQEPZ-GDLZYMKVSA-N 568.649 6.542 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)c1O 1865697042 VGKREKRLXHUXIC-INIZCTEOSA-N 555.738 5.298 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704734 CSLZKSNOWVQPPM-HHHXNRCGSA-N 510.553 5.977 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4ccccc4s3)nc(-c3ccccc3)n2)cc1 1868365771 XDOWOINXOORKIG-HSZRJFAPSA-N 506.660 7.412 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(F)c2I)c1Br 1922912644 PGHKTRYVPHZHTD-SECBINFHSA-N 568.869 6.810 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1I 1923074270 JIZNPQDWUKYNOS-RXMQYKEDSA-N 575.289 5.749 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924593113 CHEVGBMXVZVRRW-VIFPVBQESA-N 582.775 7.591 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924604777 HWPJPEAQPVOCNO-BHNWBGBOSA-N 509.927 7.298 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925584288 IOPKLGQNXMFUET-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012748 JNQCVHANFYXNMP-KKWJMCPHSA-N 630.590 10.101 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C/[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](I)COCc1ccccc1 2065309349 YXQGTMRAOQYZBB-SYGVYUBASA-N 659.681 8.185 50 10 KKGE COc1c(C(C)(C)C)cc([C@@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1C(C)(C)C 2080751059 JIJHYOCKCFKMDP-MUNDKMRRSA-N 613.848 8.190 50 10 KKGE Cl[C@@H](c1ccsc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492462 LVJJFUNTGKSHNP-JTQLQIEISA-N 603.193 7.889 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(I)c(Br)c2)c1Br 2138870494 JEOGINOWFLMPLJ-CQSZACIVSA-N 579.295 7.215 50 10 KKGE CC[C@H](CC(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467828 CPSWNEXIMVNMBC-PELKAZGASA-N 584.810 8.245 50 10 KKGE COCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141468641 LZVCNZJLZCSDPC-GFCCVEGCSA-N 540.315 6.833 50 10 KKGE FC(F)COCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470859 LMTKJPHCKWQKTI-RXMQYKEDSA-N 594.708 6.844 50 10 KKGE CC[C@@H]1OCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477505 RCOQNQISBQWJTN-IHPSOHBWSA-N 540.315 6.832 50 10 KKGE BrCc1cc(Br)c(OCc2ccc(Br)cc2Br)c(Br)c1 2148685938 RVNQXHQXLOBKJF-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE O=C(Cc1nc(CCl)cs1)Nc1cc(Br)c(I)c(Br)c1 2151785787 ZCRXMJNUWXICRZ-UHFFFAOYSA-N 550.441 5.193 50 10 KKGE Fc1cc(Br)c([C@H](Br)Cc2ccccc2I)c(F)c1Cl 2201611991 VWYXBELOOMFDOQ-MRVPVSSYSA-N 536.379 6.664 50 10 KKGE C[C@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234058929 RNHDRKQNHHWRIB-CYBMUJFWSA-N 508.645 6.154 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1C 2253515741 GKMSKYVRBMCXJZ-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE CCc1cc([C@@H](Br)c2cc(C)ccc2I)sc1Br 2255977138 DGTXZPILVVMCJR-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cscc1OCc1ccccc1 2263537787 XVAKPEUTOJEBQY-SFHVURJKSA-N 502.655 7.236 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2293189744 ANMPDBBDDUDFRO-UHFFFAOYSA-N 543.557 6.314 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198329 VAHIQGXNWQZIRI-XMMPIXPASA-N 556.902 6.432 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN=CC(Br)=Cc1ccccc1 2293279633 ZFTLGLUXPDZKQD-UHFFFAOYSA-N 552.885 6.218 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=CC(Cl)=Cc1ccccc1 2293740336 KHAZEJDVGCIJDN-UHFFFAOYSA-N 511.097 6.458 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1 2296506766 DJWXGUHGZXMMDP-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)cc2)cc1 2296507182 XMGRGHHDECHDHL-HSZRJFAPSA-N 522.457 6.675 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)c1nc2ccccc2s1 2297476806 JYLJQNKOGBSBRX-UHFFFAOYSA-N 543.670 6.144 50 10 KKGE CCOc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 2297672113 GITAATSDMFXESL-UHFFFAOYSA-N 547.902 6.713 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313568502 TZWJVUXADVXDGH-UHFFFAOYSA-N 521.367 5.589 50 10 KKGE Cc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1I 2314452382 MQNFFGZMYMQDDG-FQEVSTJZSA-N 572.078 7.425 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 2314616556 DMAVAFSCJVORKB-UHFFFAOYSA-N 583.714 5.105 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314618426 NIXSAJMLLWFZSA-UHFFFAOYSA-N 538.648 5.734 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 2314640676 LHOXQOCSPKVJOI-MGBGTMOVSA-N 544.607 6.420 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OCC 2314716829 RNXMOWZJNUDFGQ-UHFFFAOYSA-N 539.451 6.689 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2317958474 ZFQCGKZIFJRFBQ-GOSISDBHSA-N 502.655 7.236 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1OCCC 2331293155 ZCHGWZRMQROJOJ-UHFFFAOYSA-N 513.457 7.186 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C(c3ccccc3)c3ccccc3)n2)cc1 2331344752 JZBPCGICQBWKTP-UHFFFAOYSA-N 508.687 8.784 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Cl 2364234490 KAMARMROAYPOPX-SECBINFHSA-N 507.835 5.745 50 10 KKGE N#Cc1cc(CBr)ccc1OCc1cc(I)ccc1Br 2367517451 MCSALPYWTUOWMT-UHFFFAOYSA-N 506.963 5.399 50 10 KKGE Cc1ccccc1[C@@H](CI)OCc1cc(I)ccc1Br 2367602886 WDVALOVVZRZUNG-MRXNPFEDSA-N 557.007 6.055 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38686143 SQNAMQDXBLKMOT-HMILPKGGSA-N 516.569 5.986 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 38686687 LVLMPQLNXXNYJB-AREMUKBSSA-N 514.990 6.418 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38700423 GCFOXGZIDMSPBB-FQLXRVMXSA-N 518.525 5.442 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813756 NRDSOQBAPVHBNQ-NJZRLIGZSA-N 507.377 6.166 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815467 HWAUUXCRMFVXSP-GDZHHEIJSA-N 517.629 6.168 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1 59303851 GGZPWRRXLAHWKA-ALQBTCKLSA-N 525.027 7.417 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(Br)cc1 101135207 YXJBKAGPODEXSU-UHFFFAOYSA-N 561.867 6.583 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193623 PJAJVEJUCNCCOA-NTUHNPAUSA-N 529.234 7.292 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246148 JACHMZXNPBOKMQ-MIXNUDJGSA-N 538.456 6.375 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337112 BNLGQGWPBNYKHP-JOWQQVNMSA-N 538.673 5.813 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 101338886 NAHVUTCFDUHFLU-DFKUXCBWSA-N 562.714 7.423 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101338943 WNIKIHZPYHRCGF-UZWMFBFFSA-N 586.667 7.182 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101341058 HJFZOBREQAYZJQ-UXHLAJHPSA-N 590.611 5.413 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101368090 KRXCBVORBMQRLQ-PMERELPUSA-N 563.050 6.429 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 101374586 MOMWOJSEHHMUAH-HKBQPEDESA-N 558.631 5.865 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101378311 IVXUYZPXVWQPCN-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383129 CXGILZHNSAORNJ-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384574 QYWQFEFFEHYQDW-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386009 VBTHFONRVVTIQT-SSEXGKCCSA-N 569.013 6.374 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101388319 HDUQTZJQFZPFHE-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388434 XFDOUJAXLUIGJS-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccccc1F 101389156 XOEDSABZDTXBNG-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)oc2c1C 101391371 KKXUUXRGKDSUQS-DEOSSOPVSA-N 529.390 6.558 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399567 NOZMTVLNKWFTQA-XIFFEERXSA-N 604.634 7.522 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 101399578 VKZMKRKPCBYZLN-CFXMIPBISA-N 584.688 7.533 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399865 SZFCYJKOBZSCNW-UUWRZZSWSA-N 618.661 7.858 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)c(Cl)c5)c(C)c43)coc2c1 101620203 WSEVTEDOZROZKZ-RUMWWMSVSA-N 538.431 6.909 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 101727451 HLGAKCFWFTZQML-XKJRVUDJSA-N 607.382 7.701 50 10 KKGE CN(c1ccccc1)c1ccc(/C=N\NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 105422412 NGVKXVVIERPVML-DXJNIWACSA-N 567.498 6.107 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Cl)cc1Cl 105509764 KLPNVIOEBSWRDA-LUOAPIJWSA-N 523.214 5.690 50 10 KKGE COc1ccc(Br)cc1/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC 108431328 AOYQYSOHQWAIGJ-YAGSLNJISA-N 624.374 5.950 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430325 BPSQJEXHLXYRFN-PMERELPUSA-N 651.930 8.070 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431691 BDDSWOBJLWFLPX-YTTGMZPUSA-N 635.475 7.313 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150462697 SVAAFWSJTPWOMF-OGBGOWNMSA-N 632.742 5.635 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCCO3)c1 161089729 FWXWTFLWQXDAKL-OAHLLOKOSA-N 541.859 6.230 50 10 KKGE CC[C@@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 163052980 NLALBNWBZIFZPQ-SSDOTTSWSA-N 502.830 5.401 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 166986830 RUZOQJATEATLNB-NSHDSACASA-N 509.872 7.073 50 10 KKGE C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H](C=C)O[Si](C)(C)C(C)(C)C 202604079 OJXOCHUHYYCJPV-GSDHBNRESA-N 557.053 8.774 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206433951 YMNHFGFZXLQZKJ-GBXBCIGXSA-N 500.551 5.309 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206505330 QHBVISLIAYNWMF-XWUHJDKXSA-N 520.626 5.713 50 10 KKGE CC(C)(C)OC(=O)N[C@H](CCSSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 220400598 SWCNFGJFBVKSLP-QZTJIDSGSA-N 580.810 5.618 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1 233790212 OCFCFGZYIATKEI-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(I)c1 236262606 AKIBTQJFUSWIBK-JTQLQIEISA-N 510.391 6.345 50 10 KKGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 254515423 CRAHLYONVLGEJM-SZPZYZBQSA-N 541.677 5.533 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)Nc1ccc(F)cc1 254868035 QDPFZNGZBCGBMF-UHFFFAOYSA-N 536.607 5.165 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc2-c2ccccc2)cc1 254874566 MANBVISZGCPNLT-UHFFFAOYSA-N 555.748 6.786 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1c(Cl)cccc1Cl 256028500 QDHILONUPCMTKI-UHFFFAOYSA-N 638.396 7.104 50 10 KKGE ClCc1nc2c(Br)cccc2n1-c1ccc(I)c(Br)c1 380864190 KJJGADTWKVWXOY-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CCO/C(O)=C(\C#N)[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145758 YGRHOGUIPLPHJO-MPEIVFKKSA-O 523.407 5.038 50 10 KKGE COc1ccc(O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](OCc3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1 616626084 PSPADXNBRMVELS-RIJOFNGHSA-N 619.787 5.432 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 725385743 GCJRFIZPUWOQIU-SSEXGKCCSA-N 543.092 6.286 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1083911170 YYWGEIGXNKTHOI-UHFFFAOYSA-N 782.376 7.913 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(Br)cc1 1083936118 KURKEYQGWBIGFN-UHFFFAOYSA-N 569.308 5.876 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1083982111 GWJLNLQOFQMTGG-UHFFFAOYSA-N 719.086 6.887 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084156850 CLDXTWFPJGIYBZ-KOEQRZSOSA-N 725.368 6.884 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 1084162805 QKHARDBSRRUCQK-AREMUKBSSA-N 507.417 6.690 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084180460 BAVKEKZNTIJFJY-UHFFFAOYSA-N 649.545 8.195 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1 1084207041 QKNQWUZJKBMUFE-UHFFFAOYSA-N 542.227 6.609 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084557348 MLQLZIUABBFSJO-UHFFFAOYSA-N 531.952 5.567 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 1084562001 VPASNZHAWJYMEH-UHFFFAOYSA-N 677.824 8.974 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)OC 1084564118 CKROIIRGPLNDSW-UHFFFAOYSA-N 550.203 5.002 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1Cl 1772755206 UPTOETQOKNKORJ-UHFFFAOYSA-N 558.512 6.947 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865686989 GYOFRJDPUCJXGE-OAQYLSRUSA-N 532.950 6.340 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687796 AOTSTEKUHBCOKN-HKBQPEDESA-N 548.687 6.697 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689899 GAHHDVXHWAXTTN-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865691257 NWUYYESJHWRRPG-OAQYLSRUSA-N 578.294 6.520 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692039 HSTTUGVSWMCFPT-VWLOTQADSA-N 577.012 5.643 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1ccccc1 1865693935 MZLDAPYSQUUMKT-SANMLTNESA-N 508.578 5.292 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865697489 UQDMORIGBGCWPM-QGZVFWFLSA-N 569.765 5.932 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700937 HZESPIKFOXTPMC-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865703347 UMFCSUOGSGUCMW-SSEXGKCCSA-N 542.614 6.843 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703799 FYOROYHWZSXQEQ-SANMLTNESA-N 514.541 5.617 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704203 PWYSAMJAHSRNLC-WJOKGBTCSA-N 526.640 6.753 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865706679 CHGQMDKLZPKREZ-SSEXGKCCSA-N 554.654 6.188 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866653063 ZLEIBHWYEUOINA-SANMLTNESA-N 528.609 5.579 50 10 KKGE CCCC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866974518 RKHQAOPKAOCCNJ-FGZHOGPDSA-N 502.478 6.076 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002541 TUOCEKMMDZCNRV-CLJLJLNGSA-N 536.122 6.464 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868301732 VXKKRCQLGRQULF-UHFFFAOYSA-N 547.772 8.525 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 1872745285 GBIMUIHJNJOJDD-LDIFMVGESA-N 506.027 6.197 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1C 1872754333 NPRHJPQGTNVXGR-RWEWTDSWSA-N 509.587 6.383 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1OC 1872758081 KJKGTYFNERTYCD-PUAIJGIWSA-N 516.044 5.426 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 1922932146 JBIZBHLBJJJBDW-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)sc1Br 1923048109 FNYYXNIZZJMRPM-RXMQYKEDSA-N 609.222 7.997 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1923066399 PAIQJSNPGFSDKZ-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2csc(I)c2)c1Br 2024292253 AHHGDTRDXKOLRT-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCO1 2025783654 VNRSWRAOPCDWEQ-HQJQHLMTSA-N 512.261 6.196 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCCO2)c1Br 2085496963 YVPHCVOYPXYXFT-UFBFGSQYSA-N 570.739 6.742 50 10 KKGE F[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499644 JJTGECGLBXSRTO-HTQZYQBOSA-N 586.635 7.073 50 10 KKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469868 XLRLBAJAOJTKCK-KXEKKFMESA-N 538.343 7.699 50 10 KKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2142290187 ZBCZTMULKFGZHY-CQSZACIVSA-N 516.398 6.153 50 10 KKGE Cc1c(Br)sc([C@@H](Br)C2(C(F)(F)F)CCOCC2)c1Br 2173209473 YGMJQFLYGSAMHU-SECBINFHSA-N 501.000 6.377 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1Cl 2201610205 FJKPTRLEIHCAAA-NSHDSACASA-N 556.797 7.076 50 10 KKGE Cc1c(Br)sc([C@H](Br)[C@]23CCC[C@@H]2CS(=O)(=O)C3)c1Br 2201883049 QZQQPUCLGPMHAU-WLTAIBSBSA-N 507.107 5.232 50 10 KKGE Brc1cc([C@H](Br)c2ccc(-c3cccs3)s2)ccc1I 2205870075 QLVSQLHQHPFSDT-HNNXBMFYSA-N 540.083 7.328 50 10 KKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2207270998 GUMFVDQMMHBACN-BMIGLBTASA-N 515.027 5.127 50 10 KKGE Clc1cc(I)c(Oc2nc(CBr)cs2)c(I)c1 2246943531 BRRSRUWCOARXIT-UHFFFAOYSA-N 556.388 5.693 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1Cl 2288344214 HJHBAKXKFXZLEZ-SNVBAGLBSA-N 554.248 7.390 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccccc2)cc1 2296507087 SQXLZUORQCZRJM-VWLOTQADSA-N 511.603 5.237 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCCCn1ccnc1 2296546004 GEMXUXXEQCLENO-UHFFFAOYSA-N 528.616 5.428 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313568492 TWAMSAJKCSJRMX-UHFFFAOYSA-N 536.382 6.189 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(I)cc1 2313568577 WTNXTCGTUGYQGD-UHFFFAOYSA-N 719.361 6.129 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631300 NSWIHERYEKSWGS-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314478490 NXZPUKIGWBACSV-UHFFFAOYSA-N 520.079 7.033 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 2314479168 ATMLUDOATZSXQM-XMMPIXPASA-N 565.699 5.814 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314487480 ITIJZRLGWLZXGX-UHFFFAOYSA-N 570.251 8.310 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593034 GISUCGCJVLMBEE-UQBPGWFLSA-N 550.511 6.914 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 2314610225 FQAHNPOBCZBRNJ-UHFFFAOYSA-N 522.649 6.501 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314620579 RJLIPVDWKDAEOA-UHFFFAOYSA-N 629.091 7.703 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634375 JTLYOJWVOJDKFS-MUUNZHRXSA-N 516.981 5.974 50 10 KKGE Clc1ccc(CBr)c(Oc2cc(Br)cc(I)c2)c1 2316758463 HXVBSYYZMOMQIH-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)cc1Cl 2331472294 GXWHKMXRANVJFR-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE Clc1ccc(I)cc1CC[C@H](Br)c1cccc(Br)c1 2352432226 QFNRDTUPXQBFJJ-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1I 2360487196 RXYKFLPTNKVFLM-CYBMUJFWSA-N 508.383 7.136 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(Br)c1Cl 2360493777 RQKCONGEVAPYLB-JTQLQIEISA-N 526.252 7.795 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)Cc2cccc(Br)c2)c1Br 2362254789 ZALBKBULAAQFDZ-SNVBAGLBSA-N 505.834 7.289 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364072445 VVRZQDQALXOZTO-VIFPVBQESA-N 552.286 5.854 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1cccs1 3013994 XBMAHEVBNRPUQK-OAQYLSRUSA-N 563.433 5.737 50 10 KKGE Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 3186637 MQSDGXGGPZWUKS-RWPZCVJISA-N 507.591 5.037 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1nc2ccccc2s1 33467408 ZZAZSURPUQVJDO-SQFISAMPSA-N 501.365 5.923 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38681109 ICVWRPZDUQJTHE-LJAQVGFWSA-N 504.542 5.851 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061525 IDLGUCFOIGDUCC-UHFFFAOYSA-N 605.110 6.057 50 10 KKGE CCN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C)c1cccc2ccccc12 100921813 YZMANDHQSBZXDZ-BULFRSBZSA-N 558.152 6.879 50 10 KKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 101115527 QOESDDMBLMOGEK-QINSGFPZSA-N 521.758 5.448 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245242 MUMUOAYVTXEWNL-KVILUOORSA-N 586.035 7.131 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 101246871 MFWZKQJMXFYXNR-WQNJBNFLSA-N 552.483 6.684 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101368021 NZLMZZSJPPOTNO-LJAQVGFWSA-N 574.630 5.727 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379552 NPVYEMWBSCZVPB-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1C 101379943 YGPJLEIDVANERP-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383164 NAFMHLDZXTYMEO-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384415 JWHSLWHOBNEHEN-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389830 JXYQYDIPRBYACF-NDEPHWFRSA-N 593.488 7.470 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101395068 OPVANEXTUJNVGQ-HHHXNRCGSA-N 573.443 7.120 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc(Cl)c3)CCC4)ccc21 101601233 OTVSDJXOTHCVFD-JGRMKTMXSA-N 539.035 7.092 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5nc6ccccc6s5)c(C)c43)coc2c1 101620259 ZTUHHBFODIHTIR-UZWMFBFFSA-N 526.618 6.212 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc(C)c1 102933037 BQLNNOJLXBDQBE-JAIQZWGSSA-N 559.382 7.300 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102943819 NXUMXIWYVRKXMF-ALNNFZMXSA-N 598.647 7.928 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1Cl 103796222 IPHGLNREMPLBPD-CCVNUDIWSA-N 574.802 6.432 50 10 KKGE O=C(N/N=C/c1ccc2ccccc2n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104988466 BHDHIUANEYCUKL-XSRQVHLBSA-N 517.245 5.424 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 109844375 QIYHVMKMDWAGSB-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 150461485 KNHZFJWXPKWQEN-GDLZYMKVSA-N 637.903 7.680 50 10 KKGE COc1ccc([C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3)/C(=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 150479262 UPJJNLNVJBPGLE-PZVHZPSXSA-N 633.656 5.683 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150486335 FKHMUYHYSNOZQU-RUZDIDTESA-N 775.683 10.051 50 10 KKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O 261501428 GVDGCOQYLNQNKJ-HUFNZJGVSA-N 521.441 5.126 50 10 KKGE Br[C@@H](c1cc(I)cc2c1OCC2)c1sccc1I 311243222 YIDISGWADFUTNU-NSHDSACASA-N 546.993 5.377 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Br)cs2)C1 382734797 WIFIYEOHXPWYBP-UKRRQHHQSA-N 506.203 5.298 50 10 KKGE COc1cc(Br)c([C@H](Br)c2sccc2I)cc1OC 388599367 NVRDEFXFGWRZGY-LBPRGKRZSA-N 518.008 5.617 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 575449080 QIYOHWZXNNZRCM-DJMUAEPBSA-N 612.839 5.466 50 10 KKGE Clc1cc2c(c([C@@H](Br)c3ccc(I)c(Br)c3)c1)OCC2 721591297 ZXUJAWFKVIBKNJ-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 725420685 KZPCUACGODUPDK-UHFFFAOYSA-N 611.189 6.214 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 1083887322 VGMTYBGMNNUGAO-UHFFFAOYSA-N 616.918 8.351 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC 1083975916 UGNSGHBADCTNQX-UHFFFAOYSA-N 510.182 5.519 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084051792 DHXXITQEVXGLLS-SFHVURJKSA-N 660.973 5.459 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N 1084138216 UDWVQPHHDHTWIS-UHFFFAOYSA-N 619.519 7.438 50 10 KKGE COc1cc(C(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1I 1084189968 UHRHKEIFMDCTAV-UHFFFAOYSA-N 591.652 6.224 50 10 KKGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12 1084212851 DEQPYJNLOWXIIZ-UHFFFAOYSA-N 516.597 5.814 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1 1084225569 FMQMTJOFWNXBKS-RUZDIDTESA-N 698.339 6.146 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(I)cc2)o1)c1cc2cc(Br)ccc2o1 1084279282 SEYQUQACOBUPPD-UHFFFAOYSA-N 535.135 5.824 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(I)cc1 1084300221 KSXPNYKGJWZJEB-UHFFFAOYSA-N 695.601 8.527 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Br)cc1 1084403581 AKMRJIITZMTSLS-UHFFFAOYSA-N 572.253 6.699 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1Cl 1084445384 FUKSMQIXCBOGFK-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 1084446259 CJXKVXUDKXGROV-UHFFFAOYSA-N 559.409 7.692 50 10 KKGE Cc1c(Br)ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3C)o2)c1C 1084597820 YXWCKEBAAXLABN-BOPFTXTBSA-N 528.244 7.251 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 1084641136 AMZYQJPVNQKDQZ-WQRHYEAKSA-N 536.426 6.525 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1cccc([N+](=O)[O-])c1 1565517295 ITBFJACFDTXOCA-YTTGMZPUSA-N 645.676 6.322 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653125 KYCMHZVOOAEAJL-QNOVMCAUSA-N 563.645 7.132 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653200 UGEMBKWLQYEQDU-CDAOMREXSA-N 525.674 6.122 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745139 ROLHPKDQQZRJPU-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)cc1 1772745468 AXXHFVSBNGEQJO-UHFFFAOYSA-N 544.007 6.765 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683952 RDVBLVOVDMMFBN-JOCHJYFZSA-N 507.352 6.212 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865684908 BPQOZLDVYXXBHJ-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865688552 VAHQQRQLRBQSBL-FQEVSTJZSA-N 547.812 5.371 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865691095 JAJVJDCHYBHCCC-VWLOTQADSA-N 502.615 5.764 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865692532 MWBBPZIXJFPNNZ-HSZRJFAPSA-N 555.448 5.801 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694314 WNFSZAJDZJNFRF-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698179 MLEYVWYSXWLDEE-QFIPXVFZSA-N 523.431 5.270 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1F 1865701655 ASPKTSJUEWXXPQ-MRXNPFEDSA-N 527.703 5.723 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703585 BWHAQQNGRGAOIM-MHZLTWQESA-N 570.546 7.040 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704584 ZGEIWCFWKMIZRK-MGBGTMOVSA-N 578.647 7.688 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704889 HCAMUOLJKFLXQE-MHZLTWQESA-N 504.590 5.548 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c(OC)c1 1865708325 UBVBKMSZRYOSLU-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867208469 BOXLLPZKKOSZKC-BVZFJXPGSA-N 508.043 5.977 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(F)c4)CC3)nc(Cc3ccccc3)n2)cc1 1868207200 JLAGLQWMJCAMLM-UHFFFAOYSA-N 538.696 6.278 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868456467 PLRPQOIUDJZFOJ-JGCGQSQUSA-N 559.670 7.760 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3C(=O)c3ccc(OC)c(C)c3)n2)cc1 1868527677 FUXWYRGIMDDHOA-HHHXNRCGSA-N 565.699 7.028 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c1 1872754606 AJEDGHGDYNEHFB-UZYVYHOESA-N 511.987 5.479 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)c(Br)c2)c1Br 1922897865 QGTSOFBVZUQZMH-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Clc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923070794 FAGSBVGLAWCUPU-ZCFIWIBFSA-N 528.318 7.912 50 10 KKGE Cc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924586396 XHTOJPIHWLXEBO-SECBINFHSA-N 517.906 7.023 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1c(Br)sc(Br)c1Br 1924595748 DKIPYUTTWOVSDZ-VIFPVBQESA-N 603.193 7.889 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(COC3)C2)c1Br 2007604027 ABJLHNPVKHCLAM-ZETCQYMHSA-N 509.883 5.898 50 10 KKGE FC(F)CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025783607 PDHNUPNEEPVNTR-SCSAIBSYSA-N 564.682 7.218 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)sc1Br 2036570432 BLNADKWCHITBGO-JTQLQIEISA-N 542.287 7.312 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](c3cn(C)c(=O)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2037829534 ZDZLHJPETUXZJT-NSASEYFNSA-N 875.089 9.003 50 10 KKGE COc1ccc(C=C2C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)=C(C)N)cc1 2042440718 WILCZCMGHLBOOA-QFIPXVFZSA-N 523.633 5.875 50 10 KKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(O)c4cc(I)ccc4n3)cc2c1 2042453532 OKMDRNLBGDPJCF-UHFFFAOYSA-N 514.710 5.214 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 2050320934 WNXPIKOKQIUUAL-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2(CC3CC3)CCC2)c1Br 2069472928 REDAGUQRSWGTCK-JTQLQIEISA-N 521.938 7.442 50 10 KKGE COc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079250514 HGIHJLXGDQUFMC-UHFFFAOYSA-N 529.016 5.418 50 10 KKGE O=C(Nc1c(Br)cc(Br)cc1Br)N1CCC(Br)CC1 2105817025 XLOVJWATFZPARV-UHFFFAOYSA-N 519.857 5.365 50 10 KKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470080 YNHFNXYRKFMRDZ-FRSIUCEKSA-N 538.343 7.699 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)n1 2141471406 RCZYJXCIVCLKQL-MRVPVSSYSA-N 645.607 6.717 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(Cl)cc2Br)c(Br)c1 2144773464 GZEQOMSUDXQKGQ-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1c(Br)cccc1Br 2150490979 ZVOOWOHNNPHSQI-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Cl 2203002245 OEIJLRAWJQUELW-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE C[C@H]1C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206398828 ZJQYPKGXIRYNTO-MEUQOTJWSA-N 598.793 7.376 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1Br 2206401738 ZDICMNLDXSAJBJ-NMSKTSORSA-N 594.805 7.999 50 10 KKGE CCN(CC)C[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2216389838 ASDGLACAUHOFCT-ZETCQYMHSA-N 512.931 5.683 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)c(Br)s1 2221699750 LMQDZLKFRIAACL-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE Cc1nc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227350629 IJUOAGOZMJEPCZ-LLVKDONJSA-N 532.921 6.840 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)cc(C)c1Br 2227417742 FAXQMDIZEOMBBX-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cn1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)nc1Br 2263527840 XMBBUIHVLFCOQX-SNVBAGLBSA-N 501.842 5.386 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2scc(Br)c2Cl)c1Br 2264606214 YDBDDKKHNYRDQZ-LLVKDONJSA-N 552.351 7.790 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 2277880296 ZNVNNFWTONILAI-ZCFIWIBFSA-N 563.878 7.600 50 10 KKGE Clc1ccc([C@H](Br)c2csc3c(Br)cccc23)cc1I 2283584671 ZRXXFNGJFMMXKE-AWEZNQCLSA-N 542.461 7.406 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Cn1nc(C)c(Br)c1C 2295672256 GUFOTCZBVPDDHD-UHFFFAOYSA-N 529.822 5.527 50 10 KKGE N#CC(=Cc1cc(I)c(O)c(I)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321360 ZWRYSPJOEQJJFB-UHFFFAOYSA-N 625.056 7.096 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297322774 UXJMXOAEECDOFO-UHFFFAOYSA-N 612.436 5.318 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1 2313568505 UBPYYFXDJAHKKI-UHFFFAOYSA-N 524.358 5.733 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C#N 2313571010 LHCLTSPIRZKIOT-UHFFFAOYSA-N 604.231 6.603 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)CC1 2314476446 OROFJEBMNGGYBU-UHFFFAOYSA-N 620.735 5.454 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(I)ccc1Br 2314515597 QWAMNMLLSBDYBG-SNVBAGLBSA-N 540.873 7.215 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314610014 BXBFPHIUZKSYPD-JOCHJYFZSA-N 577.084 7.162 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 2314643376 VPXNSEBBJTUFRS-UMSFTDKQSA-N 576.624 6.949 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646857 RNWQYBPLUFQZSF-YTTGMZPUSA-N 701.204 6.688 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c(Cl)c1 2328835285 FODKDUPHWWVFJH-UHFFFAOYSA-N 510.119 7.005 50 10 KKGE CCC(=CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329539791 ZZWDATWMWUXMEY-AREMUKBSSA-N 503.599 5.567 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2331430672 QLAPKCAUVPAVKS-UHFFFAOYSA-N 503.849 7.478 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331454075 SVCGCSKFVCOQQE-UHFFFAOYSA-N 503.393 6.582 50 10 KKGE CO[C@H]1C[C@@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)C(C)=CC=C[C@@H](OC)[C@H](OC(=N)O)C(C)=C[C@@H](C)[C@H]1O)C2=O 2333223564 OAUJLFPWRFHSNE-PKZHCKQSSA-O 891.079 7.320 50 10 KKGE COc1ccc(C(OC[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2333240201 URLPBMMJULLWTE-GTDTWNCMSA-N 750.990 9.463 50 10 KKGE CCCC(CBr)(CCC)CSc1cc(I)ccc1Br 2338309668 BNZAQRUMPUKNDS-UHFFFAOYSA-N 520.112 7.127 50 10 KKGE Brc1cc(CO[C@H]2CCCCCC[C@@H]2I)ccc1I 2350067547 DVBUJATUWOXBOA-GJZGRUSLSA-N 549.028 6.097 50 10 KKGE Fc1ccc(C(F)F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2363676060 HZONXDPBNNCOIM-HXUWFJFHSA-N 500.152 7.589 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1cc(I)ccc1Cl 2380523497 UAQNGBSPNHNPDN-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 2281976 BMMCNUDUAWHUPK-MHWRWJLKSA-N 526.368 5.808 50 10 KKGE C[C@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCc2ccc(F)cc2)c1 33528423 DZRWWGAJKYTFSM-FQEVSTJZSA-N 508.037 5.781 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 38650529 FFRDDEIRPTVOJD-AREMUKBSSA-N 504.970 5.558 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686579 RCDGAAWTCVULEO-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)c(C)c2c1 38688552 XTPUGXBUDNOISY-LJAQVGFWSA-N 500.554 6.894 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc6ccccc6c5)c(C)c43)coc2c1 40826883 AAJSYBNDUWGGIR-INKHBPHZSA-N 520.585 6.723 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)ccc21 100921686 VUMGVUVKHIGIIT-WDJPJFJCSA-N 597.189 7.439 50 10 KKGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067522 FBWNFBFRGGXNEL-UHFFFAOYSA-N 520.347 5.069 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241340 ZYGPWQUHFYZXFW-UZEPBSNMSA-N 502.039 5.700 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 101333500 BBDYFPZANILLJI-KOEQRZSOSA-N 553.619 6.019 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1F 101335980 WEHKOHWTZFUZLM-NLRVBDNBSA-N 556.638 5.876 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362425 QLKZZDRZBWDBJS-AIBAPBROSA-N 530.580 6.111 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101372242 NDMJWHWWOPKRFU-WRGVRERRSA-N 560.622 6.384 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 101374019 LFTUKXNVCIDFEK-HKBQPEDESA-N 556.659 6.736 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 101382365 KIVGGRZPXOIRGF-MGBGTMOVSA-N 560.650 7.190 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccccc1Cl 101391000 ZETCHWXNNMYNAO-OAQYLSRUSA-N 527.816 7.299 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 101398386 UNOXUMDIXQPSEG-MUUNZHRXSA-N 607.877 7.672 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399560 OYWKHVZIVQAMNN-HKBQPEDESA-N 594.570 7.044 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 101464019 JYMASDKSNAEIKY-YKQZZPSBSA-N 542.389 5.685 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(OC)c1 102601992 OXDBMWRZUGXISW-XIQZVYOISA-N 593.463 6.418 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1OC 102778822 CZEGPPIACWDSJS-VKDLEMAVSA-N 549.539 6.184 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 103735026 NSXPFRZIOOGCMR-WUZYOQQESA-N 608.552 7.789 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccccc3OC)cc2)c2ccc(C)cc2)cc1Br 103749449 HNPONUNDCHEIPB-BIZUNTBRSA-N 622.541 5.934 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 103796020 JHDYVKZBXIOMKC-SEBMTOOBSA-N 540.642 7.667 50 10 KKGE Cc1c(Br)c(/C=C(\C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 103844725 QORQIBNBIMDKTP-LFIBNONCSA-N 524.178 7.702 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 104768814 QPSHADBIHXTJEH-STKMKYKTSA-N 547.684 5.874 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(I)c1)OCCO2 109865796 FMSRCYHGQGMZLS-HNNXBMFYSA-N 509.963 5.309 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 150418963 NMRGFXWWDAHQMI-UHFFFAOYSA-N 736.280 6.463 50 10 KKGE Brc1ccc2c(c1Br)-c1c(Br)c(Br)c(Br)c(Br)c1[C@@H]2Br 161139675 MAHYQWMRBATAGD-MRVPVSSYSA-N 718.495 8.726 50 10 KKGE C[C@@H]([C@H]1CCC[C@@H]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C 208701081 VSPUBGCATGQRGJ-OWAUWMPXSA-N 562.559 9.793 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214428682 YMZIJVFCVGNLNX-GTWSWNCMSA-N 586.648 5.664 50 10 KKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Br)sc3Br)cc2[nH]1 232482947 PGZXPCHUWXXRMJ-JTQLQIEISA-N 545.876 5.690 50 10 KKGE Cc1c(C=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 254348521 DSSRWSKFLIVVTL-UHFFFAOYSA-N 560.632 5.244 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 256827094 RKPWDVVMCBUEMP-WWOUZDQESA-N 644.482 7.762 50 10 KKGE Fc1cccc(COc2c(Br)cc(Br)cc2CBr)c1Br 380062821 GEDANVZBGAUZGO-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2F)C1 382698130 MADSXRAYBUPXEZ-RHSMWYFYSA-N 518.164 5.375 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616584496 CTSJCYTVMZRHRS-LMKWBLPVSA-N 831.036 8.915 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@]34C=C[C@]5(C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@]3(C)CC[C@]12C)OO4 616588622 IAFGRXRTUBXMRK-GNCFUXNDSA-N 618.852 5.078 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616590416 RALYOFHHSKCHRY-CIQINRPFSA-N 662.852 7.227 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616591125 XUSVCKHZEHHPIH-HHHXNRCGSA-N 525.926 8.615 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817459 FAGFLKDXAVYVFV-HYFAGJRRSA-N 672.973 7.366 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Br)cc1 1083851400 ZNLARMFGBGHLMD-UHFFFAOYSA-N 542.480 5.889 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)nnc1-c1ccc(Br)cc1 1084089910 UZJCZZKWNCRBDE-UHFFFAOYSA-N 565.497 5.023 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(C)c1 1084164845 JJSSTYZZFLIZNC-NDEPHWFRSA-N 565.508 6.428 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084241161 GODCGMOLCRRUOY-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084526479 DWVKXNCYYOYRAP-UHFFFAOYSA-N 542.644 6.761 50 10 KKGE Cc1cc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)ccc1I 1084530811 SONDZYMKRSWFJT-UHFFFAOYSA-N 576.232 6.280 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CI)C1 1614615810 PRQGUTCFHIXHCX-YOEHRIQHSA-N 500.720 5.035 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc(OC)c3)CCC4)ccc21 1772749917 RPFQOQXTBXHLGS-UHFFFAOYSA-N 534.616 6.447 50 10 KKGE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccc(Cl)o1)C(=O)CCl 1848437835 KADPTTOXKGYLKW-YMYJIUPMSA-N 555.882 5.523 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc2ccccc12 1865682705 WAFOVQWFWBNNPB-LJQANCHMSA-N 511.301 6.025 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688422 RSBIEPPKARZMOZ-PMERELPUSA-N 534.660 6.041 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865692575 CPODBDFOZFXEJV-VWLOTQADSA-N 562.548 6.096 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865695316 NJAPJLOZTZPXOH-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696396 FTKXAZHBCBQKLU-GDLZYMKVSA-N 536.632 5.682 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865697369 QSYAZYYRSXFTOK-OAQYLSRUSA-N 561.839 5.674 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704503 XMAJHJSCQWBHBC-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705379 UHHODWJNMSYZQU-VWLOTQADSA-N 510.981 5.916 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865707378 VPCGHNORJAVKHH-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708124 OQWKXUPDHKWLMA-RUZDIDTESA-N 563.441 6.149 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711045 OPGHXNFIKGOXFF-LJQANCHMSA-N 500.402 6.281 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714757 PQISFGPBZOOQLH-HXUWFJFHSA-N 501.370 5.073 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866765412 WVCBFPASZTYQSJ-VMPREFPWSA-N 541.623 6.426 50 10 KKGE CC[C@](C)(NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867214753 VJQAAKGOQOJTGT-URXFXBBRSA-N 502.478 6.076 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c1 1868207161 IIENHUBGAMEBGQ-UHFFFAOYSA-N 514.658 7.426 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868253053 BADWSTWJRJPRMO-GDLZYMKVSA-N 511.626 6.273 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1872751713 SSIYALQUUNMVGT-QQTULTPQSA-N 520.611 5.811 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1Cl 1872756322 HRBZQSVZXPNHEX-QOCHGBHMSA-N 512.031 6.264 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(I)c1 1925583327 CDSOUHAHISFMSB-MRVPVSSYSA-N 544.836 7.045 50 10 KKGE CCOc1c(Br)cc(C[C@H](CBr)NC(=O)OC(C)(C)C)cc1Br 1984033867 NEHWFYOUXPXJRY-LLVKDONJSA-N 516.068 5.441 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2003650400 VBCRVZQMCWENRI-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)s1 2026212378 SMWUSZRSANIZRY-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CC1(C)c2cccc([C@@H](N[S@@](=O)C(C)(C)C)C(C)(C)C)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080744937 FXSQXRAOWAARAD-IKJNGIHHSA-N 583.778 8.015 50 10 KKGE Clc1sccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493934 IZPLWCOZJMPXJC-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE COC1(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085500484 OMWFJXNQPJUFAQ-MRVPVSSYSA-N 570.739 6.742 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(I)c2)c(F)c1Cl 2136965787 CEYHREKFWOTKJR-NSHDSACASA-N 522.352 6.470 50 10 KKGE Cl[C@H](C[C@]12CCC[C@@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2141467637 ABPOVOJTTROOQB-KZJPANMKSA-N 536.327 7.597 50 10 KKGE Cl[C@H](C[C@]12CCC[C@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2141467638 ABPOVOJTTROOQB-LTRYTXMFSA-N 536.327 7.597 50 10 KKGE CC[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141470794 KWUHDSVPURZZEP-GCXOYZPQSA-N 548.285 7.698 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(I)ccc2Br)cc1Br 2198736886 JMBNFERKFVLPPY-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE O=S1(=O)CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396504 XRQFFBHQOISWEP-INWYIAFRSA-N 574.354 5.841 50 10 KKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396977 CQCPIFKKYGFCAF-MWODSPESSA-N 596.821 8.245 50 10 KKGE Fc1ccc(F)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400702 DFZYRFINZWUPAY-NSHDSACASA-N 598.699 7.499 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2207260327 GBIXOGRPOJWMSJ-LLVKDONJSA-N 767.511 8.588 50 10 KKGE Cc1c(Br)csc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2213776237 YOCCLEUKCBEUOE-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE Clc1cccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222449748 QPGZCJJDVINZSR-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Cl 2224323654 SOLVQNJSXOVILJ-MRVPVSSYSA-N 504.285 8.262 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1COCCN1Cc1ccccc1 2234072260 OBEPONCCFXRMED-HNNXBMFYSA-N 513.661 5.201 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Cl)c(I)c1 2248211582 DKLPXEZUWGLERY-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2283580194 DDVVBHAPAUCGMT-LLVKDONJSA-N 723.060 8.479 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288494535 IIUSBJJYNYKECY-LLVKDONJSA-N 537.793 6.876 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 2294815167 QBQILPGPOHKOEN-UTYFOKQVSA-N 538.257 8.458 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2296506803 FSTUPNAWHGZBMT-AREMUKBSSA-N 516.066 6.639 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 2297321847 PPWCXDPXWVAWSM-UHFFFAOYSA-N 612.524 6.738 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297602761 NBJRFADZXIXCDP-WWAOEWNYSA-N 672.642 5.353 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Cl)cc1I 2301796996 RPHSBIAGFKIKIV-LLVKDONJSA-N 506.428 6.561 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1 2313511249 WANBPZRTGMWAAO-UHFFFAOYSA-N 574.802 6.086 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)Cc1ccccc1I 2314456698 YYWNLMZTRNXJPV-IBGZPJMESA-N 572.078 7.311 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593042 GKHHSMXFUCCSDF-ZTOMLWHTSA-N 539.701 6.512 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314593292 KXRXFZLCHRFBCI-DWACAAAGSA-N 509.675 6.422 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593747 SEOKCMASAUMCAE-ZBLYBZFDSA-N 511.647 5.697 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593973 WURXMNNDKJZRQP-HHHXNRCGSA-N 513.663 5.982 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 2314616419 AAGJTLMROUEKEH-UHFFFAOYSA-N 506.606 5.863 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620834 VSLLOIHOCRVUEV-UHFFFAOYSA-N 566.658 5.654 50 10 KKGE CC(C)C[C@H](CBr)COc1c(I)cc(Cl)cc1I 2328547732 NFZQNIOYFGSHLA-SECBINFHSA-N 557.435 5.985 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329696484 CFGTXUZKNZCNAA-UHFFFAOYSA-N 534.410 6.044 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)cc1Cl 2331471950 UUOXHXJPKLEIJI-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE C=CCOC(=O)NCCCC[C@@H](C(N)=O)N(C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333240176 ZDMMWLUQPVUZQI-XDSPJLLDSA-N 781.819 6.118 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 38608594 XFJUCQJHNRVQSS-CVKSISIWSA-N 508.574 5.384 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38649424 YQRCDFXEQPEHAO-SANMLTNESA-N 509.389 6.319 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678912 LZFXDBCJSDVLAB-LMKMVOKYSA-N 519.395 5.603 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 38683956 BNXSHSKWYUZPTN-NDEPHWFRSA-N 518.997 5.894 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 38683959 BSIFMQNSWKPXAZ-GDLZYMKVSA-N 514.578 5.249 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] 40607758 MJAHBXXZRAHVGM-UHFFFAOYSA-N 500.751 5.018 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 59484824 VJMINWMDAXIXOM-VCHYOVAHSA-N 508.328 5.491 50 10 KKGE N#CC(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl 96438617 XUUDCXMIPISXDS-BOPFTXTBSA-N 514.334 8.210 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 100452567 FWOJYVXEQBGHID-ZSYYNXLFSA-N 541.873 6.374 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 101036760 JRQSUCSRITVWGM-RUZDIDTESA-N 547.621 7.237 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@@H](C)C2 101193787 AQDRBYRPTOTMHX-XDPMZMSMSA-N 562.997 7.527 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101295763 JINZMUMEEZINLI-VWLOTQADSA-N 537.399 6.394 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362398 LASDARMJHPCKPV-AKLVHQOXSA-N 534.999 6.756 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362405 BMZZOKFCAGPONP-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 101365103 HMGZFCRMXLXCJB-MUUNZHRXSA-N 527.407 6.949 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 101372322 XJUIZMJCDKMPQY-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380658 PTOYFFMBMWXVQD-SSEXGKCCSA-N 540.522 5.746 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5C)ccc43)c2)cc1 101382010 GUFOXNDLMBNPAE-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386849 GEQWJSABZRPVPE-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387586 DFRFYMFOWCCOKW-LJAQVGFWSA-N 607.877 7.672 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101392489 NQJOHIDBJFGCEC-MHZLTWQESA-N 565.453 7.174 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397447 RLXWTIWYZHPZAU-WJOKGBTCSA-N 615.513 8.107 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611946 TXQSCYAHNIJORP-VAXTVUGKSA-N 526.420 5.722 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1C 101698253 YKKQZYLOVPBCNO-NNBHUNNPSA-N 566.053 7.928 50 10 KKGE Cc1ccc([C@]2(C(F)(F)F)N/C(=C(\C#N)c3ccccn3)O[C@H]2C(=O)c2ccc(Br)cc2)cc1 102850075 AEPPTCQQDBSTRG-GTZAOEHJSA-N 528.328 5.674 50 10 KKGE C/C(=N/NC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 102976925 BPHRIMISYJJBRP-FSGOGVSDSA-N 538.025 5.145 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 103872547 OUTSHQAFKOZXBW-VTNSRFBWSA-N 604.574 7.513 50 10 KKGE O=C[C@H](c1ccc(-c2ccc([C@@H](C=O)N(CCCl)CCCl)cc2)cc1)N(CCCl)CCCl 111444843 GFRHEOMWAJJZSF-DNQXCXABSA-N 518.312 5.393 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432770 WQSLGJJUJHYFAF-RJYIFTCLSA-N 669.605 9.106 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461460 HODCJRWDBYHRBU-NDEPHWFRSA-N 663.966 8.886 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150476851 JJTLXABHLVNHMV-JOCHJYFZSA-N 656.777 8.581 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150483130 ZOOJHJPQCMDJIT-MHZLTWQESA-N 668.385 9.531 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 205659337 VYHZZEDFQFVCRH-ACWVLAELSA-N 510.590 5.957 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205777897 IEVZKGQYNXLAKZ-QVCSVUSBSA-N 684.749 6.174 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214257644 KWCBKLYQNDKISC-IEZSBWOXSA-N 522.649 6.273 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214313865 DUJJKLUOZHEVGD-UHBFCERESA-N 557.654 6.070 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214429085 AZSIMODLGSXNRW-QHDYCIAZSA-N 636.708 6.817 50 10 KKGE CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NN=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 252640934 YYFAVFIXUFRSAA-YWZLYKJASA-N 520.671 7.267 50 10 KKGE O=[N+]([O-])c1ccccc1N=Nc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 263629985 LHAJKCIBDPPDKN-UHFFFAOYSA-N 502.514 7.819 50 10 KKGE CC(C)(C)OC(=O)NCCN1CC[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616673394 AYTTXRFMTQZLDM-VWLOTQADSA-N 510.795 7.118 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)c1 616691276 YNFCUPBSYVMFAD-MUUNZHRXSA-N 507.772 6.587 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 721583226 ATNKOSJIUWAIBN-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1 725435178 JVGYPMQPDBEAIB-UHFFFAOYSA-N 629.964 5.864 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 725439354 XVNKNNHGZCMNIV-UHFFFAOYSA-N 587.485 5.295 50 10 KKGE COC(=O)[C@@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]1(C)CC2 1073234907 WPTTVJLTNAWYAO-CRMCUJITSA-N 505.699 6.379 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083816843 YUZLCBDCWPRCMA-DMEUUHFMSA-N 620.771 6.056 50 10 KKGE CN(c1ccccc1)c1ccc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083919551 PSTGHGLNFKDXBI-UHFFFAOYSA-N 533.053 5.454 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1 1084015445 FFSJZSACFLRUOT-SANMLTNESA-N 643.319 6.750 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1C#N 1084067004 DXHDOTNYRPVEQL-LPYMAVHISA-N 518.400 6.727 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 1084108645 NWGMGELBOFWFRR-UHFFFAOYSA-N 651.105 6.761 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 1084140407 QOYQEXRRWSGAFN-XMMPIXPASA-N 519.400 6.074 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084174435 AXPKIBBAOAFZCD-DEDYPNTBSA-N 599.255 7.876 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084358928 KXERPQQKBQQOHE-UHFFFAOYSA-N 514.047 5.029 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084410880 NCOBOEKTWBEXNZ-DEOSSOPVSA-N 671.757 6.649 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2c3ccccc3cc3ccccc23)cc1)c1ccccc1 1565517806 BQJJQZOVGUPUEC-PGUFJCEWSA-N 544.658 8.113 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747439 ORNAVYPBTVKBBO-UHFFFAOYSA-N 515.795 5.430 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c(C)c1 1772749229 JORBTHUVZXJQMG-UHFFFAOYSA-N 514.409 6.000 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1772754902 NESOISQLJHABTC-UHFFFAOYSA-N 562.931 7.592 50 10 KKGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772754988 FCZQPNMZGRITLP-UHFFFAOYSA-N 520.474 5.612 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772755939 IYZQBTKYABADAB-QGZVFWFLSA-N 535.855 6.769 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685745 MGMQXYVVQHACHR-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)c1 1865690476 SKJIRBFFBXDGCC-RUZDIDTESA-N 530.987 6.016 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865692241 DPIPVWFIIDJXRE-SFHVURJKSA-N 504.896 5.560 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(OC)c1OC 1865693457 VVNBDCNXDSENDE-QHCPKHFHSA-N 514.969 5.437 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1865695925 VOEVFRQEVHJALN-WJOKGBTCSA-N 528.612 6.448 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696266 CZKCNYIRPUDSHH-GDLZYMKVSA-N 538.623 5.871 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700781 DEYWKMFKHGPNQR-SFHVURJKSA-N 550.638 5.342 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865701972 JNWCHSWFBHWCAJ-MUUNZHRXSA-N 519.649 5.980 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704609 ZVDIRZVVCDPKNL-SSEXGKCCSA-N 516.576 6.329 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707193 QHMDGHKXVDPURS-MHZLTWQESA-N 510.041 6.333 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712458 ZAMUHNULLHLBLK-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc1OC 1865759846 VFIZLKFVBIVLDT-WUXMJOGZSA-N 500.382 5.246 50 10 KKGE CC(C)(NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866598997 STCKWXSTTQJDKY-UHFFFAOYSA-N 524.712 5.195 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccc(Br)cc4)C3)n2)cc1 1868320841 PMKNCWSWXWIKKY-VWLOTQADSA-N 558.505 7.109 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3)n2)cc1 1868365519 REDAPRPFVTYIGN-DEOSSOPVSA-N 517.580 7.821 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414754 PVHNTMSCCICDDC-UHFFFAOYSA-N 575.569 7.522 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](O)C[C@H]3c3ccc(OC)c(OC)c3)n2)c1 1868505525 HLAZLVHPNJQWAQ-BVAGGSTKSA-N 569.687 6.189 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747355 ZAMXEAJXZDPQSK-HSHIVQNRSA-N 506.765 6.394 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 1872747789 UBBPKZXINAWHFO-PNHLSOANSA-N 521.598 6.576 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 1872750666 JQKBVEQLIHBLCA-BZZOAKBMSA-N 509.587 6.447 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OC(C)=O 1872753642 HMXGZBBUAAIIMI-RMXSSTCOSA-N 510.571 7.042 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(Br)s1 1923073684 ZJBHTSUICRGCOJ-LURJTMIESA-N 530.326 7.235 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2025779220 DUTSQSGWSMNIJI-UTNXVAPVSA-N 555.728 5.910 50 10 KKGE C[C@@H]1[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025779987 NOBSCQVWDWVKFY-UMAXCYLZSA-N 554.740 7.075 50 10 KKGE Cc1cc([C@@H](Cl)c2sc(Br)cc2Br)ccc1I 2026131453 VFZIVDZSXIOBHJ-LLVKDONJSA-N 506.428 6.514 50 10 KKGE COc1sc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2034641725 OBMDQFDAZMTUNX-LLVKDONJSA-N 522.427 6.215 50 10 KKGE COc1ccc(N2C(c3cccs3)=CSC2=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2042931777 GEJPWZORLBWULM-UHFFFAOYSA-N 540.674 5.618 50 10 KKGE Cc1onc(Oc2c(I)cc(Cl)cc2I)c1CCl 2045100618 MKBCBKRPEZGZPE-UHFFFAOYSA-N 509.896 5.377 50 10 KKGE COc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccccc3I)o2)c([N+](=O)[O-])c1 2053623129 GNAGWRZPAYQAFA-UHFFFAOYSA-N 515.263 5.014 50 10 KKGE FC1(F)C[C@]12CC[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2099916672 UZULEIPSAXNUBB-DEHACQHWSA-N 543.891 7.297 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)cc(Br)c2)c1Br 2138852481 NQNODLBPZKZCDU-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)cc3c2OCC3)ccc1I 2207105522 UWDQLFDNPWYEEK-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cscc1OCc1ccccc1 2213488102 CBCLVDXGQZDJEG-GOSISDBHSA-N 535.070 7.476 50 10 KKGE CO[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2220513357 JNQIZEMRFBBKDJ-VCPWFBHLSA-N 570.739 6.598 50 10 KKGE Cn1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)n1 2263518625 HAUNTUXAZFHFDY-SNVBAGLBSA-N 501.842 5.386 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CCCC23CC3)c1Br 2281364903 PQXDEJAXRSIBPH-RKDXNWHRSA-N 594.805 8.143 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2283581524 PDOHMYJJKCYZBJ-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 2296705966 DBKAFQBFGAKRAK-DEOSSOPVSA-N 559.069 7.556 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521442 OKJHNTGOXYAMGY-UHFFFAOYSA-N 536.382 6.107 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521448 OURJCJADNDTIHB-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 2313566882 COFYJFMTESRFKX-UHFFFAOYSA-N 536.459 6.227 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1 2313571543 YQKNJKJMNJKRPP-UHFFFAOYSA-N 596.308 8.432 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccccc1 2314477851 ATLXZHGGAQGLCK-UHFFFAOYSA-N 510.597 6.342 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1 2314477855 ATOJRGXYKVCBQV-NDEPHWFRSA-N 539.035 5.974 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592867 CZJZRUOSKYCBPR-RUZDIDTESA-N 518.038 5.481 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640672 KMXSSEJWTACNAK-HKBQPEDESA-N 569.444 7.409 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sccc1Br 2317396935 XISFGFBPHDSXQQ-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(I)c1 2317773604 MCESMZOKKACCBW-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE CC[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2320331072 NRFAYDAKUASNED-BWZBUEFSSA-N 568.767 7.609 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)c(C)c1 2331311104 PXYTXWNIJHFFCG-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)c1ccccc1Br 2349843784 YTEYNENACFYHGJ-LLVKDONJSA-N 514.426 6.381 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888375 BOJJXJKDJRPQMI-GUNDDFSMSA-N 566.908 5.888 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 33380626 XYNYCEYATJYXGO-RRAHZORUSA-N 524.624 7.281 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655734 AVGSJFPHGPLFTF-HSZRJFAPSA-N 512.305 5.104 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38658256 BASSCBCAWKNUFD-OLILMLBXSA-N 510.590 5.966 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C)c(C)c3)ccc21 38686164 INSMDWBURCWHKK-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1 38686379 LBHUGOXMJCATQT-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)c1 40530095 ILASVABUORAKHK-PMERELPUSA-N 526.633 6.872 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804326 COKYYZUWGSGXLV-VUTHCHCSSA-N 518.367 5.588 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812830 BOAPPOOOCBRTMB-TURZUDJPSA-N 510.388 5.472 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OCC 54624774 DWKXKVATPGGDDB-XQNSMLJCSA-N 508.615 5.243 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(F)(F)F)c2)cc1 96438570 IPNRNWCZJGMSMX-UNOMPAQXSA-N 514.525 6.457 50 10 KKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(OC(C)C)c(OC)c2)c1 97914661 XLGDUIAFCORADN-MHZLTWQESA-N 517.066 5.249 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2C)cc1Br 100173370 IYTNAORMBRBSLI-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100181003 FCIYEOZNEUILAE-UHFFFAOYSA-N 545.261 5.361 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC)c(Br)c2)cc1 100184844 SXEFFMKMKRHPDE-UHFFFAOYSA-N 536.492 5.146 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc(Br)ccc3OCCc3ccccc3)cc2)cc1 100206191 YYMNICWJVWMVKO-UHFFFAOYSA-N 614.540 6.695 50 10 KKGE CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100214689 APZIUVSVRNXICY-UHFFFAOYSA-N 538.442 5.472 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1 100235295 SMAVHHWXOKLCJR-DVMDLWDRSA-N 566.452 5.271 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 100237155 KBOTXOBSIFNDDP-PCYMAAINSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 100237270 YIGPSRSNDIAGLC-XACFZUKVSA-N 546.407 5.843 50 10 KKGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100250111 QFDLTAOCZLJSMA-UHFFFAOYSA-N 609.340 5.114 50 10 KKGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)c1ccc(Br)cc1 101067177 MAUTXHQFQCQCFJ-UHFFFAOYSA-N 535.345 5.457 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1C 101115372 JVARAEOYAYTYGW-RGEXLXHISA-N 529.394 5.720 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193631 WEANEKYMLDARCS-LFYBBSHMSA-N 519.228 7.837 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242994 UAXFMBWWFJSJFB-WWTUHYLUSA-N 516.066 6.206 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101340802 RBVQHJWNPFMSPP-UZWMFBFFSA-N 611.101 7.564 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101374666 BSWOPCGUMMRESZ-WJOKGBTCSA-N 577.077 6.819 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101375319 ARCPUKQZXVXRDX-JGCGQSQUSA-N 572.658 6.256 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)oc2c1 101391367 UCHLBEDWZLPPRQ-VWLOTQADSA-N 529.390 6.558 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)oc2c1 101398934 MNHXGFQRNZDITN-YTTGMZPUSA-N 625.508 8.681 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-] 101487300 ROSVGJNSQMAFAN-UHFFFAOYSA-N 518.144 5.264 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602867 YLNOEFJBFZCRTD-ZONNCAFXSA-N 539.591 6.970 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 102348107 YFWDJNIBBMSHMB-MOSHPQCFSA-N 543.967 5.723 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 102475503 IAFXDIYWFBBNCK-ZDDKYUFNSA-N 502.039 6.330 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102664474 WFXPHFIFTLBPPE-AQTBWJFISA-N 531.521 6.445 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cccc(Br)c1 105641262 WNEMYCBUAVIWMF-OGLMXYFKSA-N 544.434 6.205 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 132021643 PLJLBHSLYNGQIP-NSHDSACASA-N 503.879 6.828 50 10 KKGE COc1ccc(C(=O)Oc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2OC)cc1 150553797 GYFJMYWHCQKKNK-SXGWCWSVSA-N 678.233 5.744 50 10 KKGE Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)c(C[C@@H](Br)CBr)cc12 159448486 PBWZQTZTKXSZOZ-AOYPEHQESA-N 671.382 6.554 50 10 KKGE CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)OC(=O)[C@@H]1[C@H](C=C(Br)Br)C1(C)C 199741005 FYIFWZPBCSITQE-OSTYVCCYSA-N 577.933 5.863 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206727890 DEYIKHWEKRYMHH-IDBNGTKSSA-N 525.561 5.203 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214233911 AONCGFQLEKVXHE-BRPDVVIDSA-N 550.703 7.055 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1 214241473 BHMIJNPGOIVRDS-RRAHZORUSA-N 520.633 6.277 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 214339303 WUGZRASKUZLCRF-RIRGPFDCSA-N 529.556 5.801 50 10 KKGE COc1cc(Cl)c(C)cc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216506601 WCKHJRAEFUVPDY-GFMRDNFCSA-N 501.030 5.410 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 235927639 NZOPWXKWZVARRD-LLVKDONJSA-N 503.879 6.828 50 10 KKGE COc1c(Br)cc(C=NNC(=O)/C(=C/C=C\c2ccccc2)NC(=O)c2ccccc2)c(O)c1Br 252619939 LURLSKZJNIOUIO-ISCVUMLOSA-N 599.279 5.403 50 10 KKGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534596 NBJRFADZXIXCDP-XCTUURGMSA-N 672.642 5.353 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2c(C)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254591216 MMZPBWLZTYIHSZ-UHFFFAOYSA-N 646.607 8.433 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)/C=C\c1ccccc1 254707792 JMNMLZVUXIJYFW-UMAFQALLSA-N 569.639 5.187 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(C)cc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254842617 QLSFASKKDUIHSB-UHFFFAOYSA-N 632.580 8.259 50 10 KKGE COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c1 254871248 RXRACYABLMCRLH-LPDQUONXSA-N 682.163 5.618 50 10 KKGE C/C(C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)=C/c1ccc(/C=C(/C)C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 254908791 UPRMNWRERHRDHA-LRUQYHBBSA-N 735.026 10.283 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3csc(I)c3)c2O1 720029183 AEPLMWOXLQHYBE-FUXBKTLASA-N 514.020 5.923 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(I)c(Br)c2)c1Br 721583795 BSOKXIQLZWXYMH-VIFPVBQESA-N 604.849 7.381 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)ccc2Br)c(C)c1Br 724911359 YUSPNXTZAICYQM-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CC1 725238552 MKMUFOXECYYFDR-SANMLTNESA-N 570.111 5.933 50 10 KKGE O=C(NCc1ccc(F)cc1)NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238616 OKZNHKSPBDHENS-RUZDIDTESA-N 538.044 6.492 50 10 KKGE COc1ccc(C2=NO[C@@H](Cc3c(C=NNC(=O)c4sc5nc(C)cc(C)c5c4-n4cccc4)c(OC)c4c(c3OC)OCO4)C2)cc1 1081098340 GCXKTWWVQNNRKJ-QHCPKHFHSA-N 667.744 5.958 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1083944051 LHBHTLFGIMXNQJ-UHFFFAOYSA-N 518.038 5.808 50 10 KKGE C=CCOc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084028484 BAGRMPANQSBNLH-UHFFFAOYSA-N 574.102 6.373 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Br)cc1F 1084216074 GTYJWORKIUYUTO-RCCKNPSSSA-N 507.407 5.252 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1I 1084345225 JXVYLPTUZGQQOB-UHFFFAOYSA-N 580.209 5.578 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084347210 LNDCFFKWKPSAQG-UHFFFAOYSA-N 673.438 9.593 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1 1084410861 DMWKDDZFQXNQLB-UHFFFAOYSA-N 546.364 6.534 50 10 KKGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)Nc1cccc(Cl)c1 1084437062 UODSGTIAERPAJE-UHFFFAOYSA-N 542.979 5.239 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084498535 ZODJWEJYBYNINN-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084552362 QPPMLXCINJDGEY-UHFFFAOYSA-N 603.144 6.451 50 10 KKGE CS(=O)(=O)Oc1ccc(C(=NNC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)cc1 1088668336 JLKSHBYKNDASOM-UHFFFAOYSA-N 511.909 5.271 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743907 NQYSOKQJNOXLFF-UHFFFAOYSA-N 522.443 6.416 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)cc1 1772746112 QTCVRZPMWSPPQT-UHFFFAOYSA-N 519.557 5.825 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746647 YYADLJSBRDRNOY-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747222 MEHCZERTSAAQMD-UHFFFAOYSA-N 536.213 5.775 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772748178 ZDORZNQLGKIUMY-UHFFFAOYSA-N 538.560 5.940 50 10 KKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749246 RSHRYKDKASJKOB-UHFFFAOYSA-N 507.590 5.838 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1F 1772755288 ZFQLZVFHPWRSLV-UHFFFAOYSA-N 586.508 6.542 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687216 MCAWXJMQXQSEEP-HHHXNRCGSA-N 527.024 5.953 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865691863 CRRFTOBIWVIVDI-MHZLTWQESA-N 500.558 5.928 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692018 HLGZWNKPWINPGQ-NRFANRHFSA-N 515.397 5.045 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865694299 STSWFOQZNCVEKF-MUUNZHRXSA-N 541.051 6.343 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696587 IEXQEYHQHODUJV-SSEXGKCCSA-N 564.686 6.453 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697300 PWRPYBQVRJSAQA-JGCGQSQUSA-N 562.714 6.739 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697403 RMAKSHRVJHNMCR-NDEPHWFRSA-N 520.633 6.198 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865697526 VTIFRKJMIRSBIC-RUZDIDTESA-N 502.615 5.620 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697742 APYYWFAXVDSKCD-DEOSSOPVSA-N 547.398 5.844 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705058 LADVZBISMXOALZ-MUUNZHRXSA-N 575.024 6.639 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706893 IBRUMCUWWPRBEI-XMMPIXPASA-N 514.969 5.437 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866723503 FCBCRQQZFKXUGP-IZLXSDGUSA-N 513.663 5.832 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866740703 NDELHPRCDPIZNB-VMPREFPWSA-N 531.697 7.018 50 10 KKGE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200252 AHTDARKEFSOVEG-QHCPKHFHSA-N 559.095 6.428 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)CC2 1868433298 HJQGIYQURFKJCY-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745402 LMDBQZGEYTUDGA-XDOYNYLZSA-N 516.376 5.815 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 1873920562 IOCCATZRQDKMAQ-HFBCPUAESA-N 505.621 5.338 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Cl)c1sc(Br)cc1Br 1922883292 MMOXSQPPZFRAAI-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cnn(C)c2I)c1Br 1922888952 SZDFRFSGZJUSTC-SSDOTTSWSA-N 510.420 5.248 50 10 KKGE Cc1nc([C@H](Br)c2sc(Br)c(C)c2Br)c(Br)s1 2003569027 MHIZVAVQBNSTKL-LURJTMIESA-N 524.923 6.593 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CC[C@H]1C2 2025779024 BRHRHETZMMOJRZ-ZTWXUTTESA-N 508.273 6.817 50 10 KKGE CCc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)s1 2029240652 ZFAVCPCFDGVTHD-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(I)sn3)c2O1 2120030679 XQKLWXMNFJPRCB-SREIQFSDSA-N 515.008 5.318 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2136372119 SAFNKFHVWODIEU-LBPRGKRZSA-N 507.900 7.681 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)cc2)c1Br 2136378458 DCKDMZQASBBQJZ-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE C[C@]12CO[C@]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141472293 BVQCQEAWKCNUNO-UPJWGTAASA-N 538.299 6.586 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1Br)C1CCCCC1 2148760883 NTGRVRILGLHPBZ-UHFFFAOYSA-N 531.952 7.111 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1Br 2206397742 MHTILAHWXYDWCL-RYQFWNGMSA-N 594.761 6.596 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206405082 FQJKKAGWQZXNON-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(C)c(I)c2)cc1Br 2224621968 LSZRGGFYESPJJX-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(C)c1Br 2235602220 CRNYZMUXDXCWFN-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 2256136702 LQSANBRMWQMYBJ-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1F 2264469132 QJZVWBNUMPZQDZ-LLVKDONJSA-N 535.896 7.276 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Cl)ccc2I)cc1I 2269546835 OTUNCQMEFPOYIV-AWEZNQCLSA-N 518.947 5.886 50 10 KKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1I 2277956274 NWNHZALFESQCIU-LBPRGKRZSA-N 579.295 7.148 50 10 KKGE Cc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)ccc1I 2278091385 MBTPHYZJKICELU-CQSZACIVSA-N 528.072 7.123 50 10 KKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)C(=Cc3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc1C 2295489448 AFDRCSQQCSZDBC-UHFFFAOYSA-N 560.658 6.412 50 10 KKGE CCc1ccccc1N=C1SC(=C2C(=O)N(CCCl)c3ccccc32)C(=O)N1c1ccccc1CC 2297460611 AMGYWYALYGMGJQ-UHFFFAOYSA-N 516.066 6.576 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nn(-c2ccccc2)c(N)c1C#N 2297638729 KJNCIAHRECCUSL-UHFFFAOYSA-N 501.300 5.321 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccc(Br)cc1 2313675550 AAMMRBCHBFLEJB-UHFFFAOYSA-N 513.391 6.736 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592098 LUEFTDRCHKAMQU-VWLOTQADSA-N 518.038 6.112 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592489 VKUQQTCVLJVGJA-XMMPIXPASA-N 536.484 6.929 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314611086 QELANEOAWGZUSZ-QFIPXVFZSA-N 560.629 6.648 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 2314755062 PRHNRTFIJRJHBU-UHFFFAOYSA-N 502.567 5.184 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cnsc2Br)c(Cl)c1Cl 2315619430 HXJFPBFXCULMCD-ZETCQYMHSA-N 515.279 7.113 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245979 OPEWJUWXSPKDKW-AREMUKBSSA-N 505.599 6.073 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c1 2331376487 JGLRENSYHJLHSD-FQEVSTJZSA-N 517.651 6.324 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2c[nH]c3ccccc23)cs1 2331461729 KNPOGZJXGQWDSI-UHFFFAOYSA-N 501.203 6.586 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccc(Cl)cc1 2331491913 WIFCVHIZHKVRBY-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 2333257265 QAGNTHOJEGTRBR-PTEFFKPDSA-N 526.922 9.641 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(F)cc1I 2338019020 AVHSSTATASZVNP-CQSZACIVSA-N 518.027 6.691 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCCCC[C@@H]1Br 2349823853 GNMIKFVQQHWXHT-WFASDCNBSA-N 501.044 5.582 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2c(Cl)cccc2Br)c1Br 2362224648 PJMWBUVKUXXPJR-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE BrC[C@@H](OCc1cc(Br)cc(Br)c1)c1ccccc1Br 2362241416 XBTZMUFKGBFRMC-OAHLLOKOSA-N 527.876 6.627 50 10 KKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1I 2365227615 HOPRHGWKBIVLHN-ZDUSSCGKSA-N 576.867 7.056 50 10 KKGE C[C@@](CI)(OCc1ccc(Cl)cc1I)c1ccccc1 2365645065 KLMLRTRGBMVOMS-INIZCTEOSA-N 512.556 5.812 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Br)cc2I)c1 2366893884 ALKLCULWIPJWJQ-CQSZACIVSA-N 548.871 7.429 50 10 KKGE BrC[C@H](OCc1ccc(I)c(Br)c1)c1ccccc1Br 2377596372 WGWDVCJSKCAHEK-HNNXBMFYSA-N 574.876 6.469 50 10 KKGE Clc1ccc(I)cc1COc1c(Br)cc(CBr)cc1Br 2380451970 CNHCZSKNPSRLMN-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 11852131 KZPWZQOSNJFRTP-GDNBJRDFSA-N 559.272 7.609 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(Br)c1 14832295 UHJSHGPJPAMGEF-KRWDZBQOSA-N 530.463 5.321 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 28356772 OKUIAAHHMYYYHV-NTEUORMPSA-N 502.220 8.204 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1 29491597 BCOQISUDWDFGKD-OFWBYEQRSA-N 620.713 6.770 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)c(OC)c1 38658656 FYIZPVPJABEXOB-MHZLTWQESA-N 500.551 5.320 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 40959628 HFCBAXUPBOLYAV-JNIZBEHLSA-N 515.009 6.512 50 10 KKGE O=C(COc1ccccc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 48572887 BGNUBIYDDWDYHO-MZJWZYIUSA-N 509.791 5.484 50 10 KKGE Cc1cc(C)c2c(c1)/C(=N\NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)N2 59153634 CPJVJXZDVPBBOM-UHFFFAOYSA-N 511.645 6.135 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1Cl 59485140 AMWRNKWPHKGPFR-JAIQZWGSSA-N 511.803 5.913 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc3c4c(cccc24)CC3)cc1 96593829 PXWKBUDBUQZZDJ-WOEINHRGSA-N 530.672 6.096 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914724 MDWUMWTWPYXOBE-RDMIVRQXSA-N 519.057 5.627 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CCC)cc1 100186707 IBVBFDDSVDVIRV-UHFFFAOYSA-N 563.518 5.096 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101334684 MXXXMUFSZFQPGK-JFLMPSFJSA-N 508.622 5.822 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 101338049 PDVSYQOHIYOAQM-MWAVMZGNSA-N 556.666 6.472 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101338977 ROOXFCLSJBOTQQ-AJBULDERSA-N 586.667 7.182 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373887 CRFHDNCOSYKFGG-XGJWTVBASA-N 579.480 7.408 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)c1 101375125 KZOFSTODSTVYRK-HKBQPEDESA-N 556.659 6.736 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379428 INWMAJDTQDLEAK-DHUJRADRSA-N 599.086 7.875 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381563 WPNYSHQKRHXTOG-GSDIUPAVSA-N 534.999 6.756 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Br)ccc43)c2)cc1 101381929 CAXWBBGWYPGLBG-GDLZYMKVSA-N 567.439 6.774 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)s1 102348030 AFKOHVLABJBELP-ATVHPVEESA-N 552.483 7.343 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103706988 ROQWQDKABOYEBJ-HNSNBQBZSA-N 566.752 6.963 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12 103880469 SKQJZRSUNPBTJW-KBVAKVRCSA-N 543.417 7.090 50 10 KKGE C=C1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1O 203584133 IWBOGWSNSAKETH-ACUYYCNJSA-N 624.897 7.877 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205656190 IZMLCYBBFGZXPA-UROWEKJLSA-N 508.574 5.608 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2OC)cc1OC 207110534 PZHXFNGLLDLXOT-ZEGLGAABSA-N 534.653 6.105 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 214289763 PARYKNZWIKTAKC-ITYLOYPMSA-N 522.605 5.041 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214347139 QZLITDCHUJPPMU-BDRDOBMZSA-N 540.623 5.698 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C2=O)cc1 214398672 HOBCUXSQEDOAQZ-VEILYXNESA-N 574.637 5.400 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 214401683 KRCGEHMLTGGSCJ-QHDYCIAZSA-N 638.699 7.101 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 214402621 HHHLIMKYJCWBPR-YQYKVWLJSA-N 572.665 6.172 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 214406566 QPDMNVBRZAYUPW-MIXAMLLLSA-N 560.629 6.568 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 221681706 AQLURWHBCUUICR-OCKVFMDKSA-N 710.852 7.267 50 10 KKGE CCOc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 233797331 INFQURSEYKTBGX-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3ccnc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 252488495 ITFBYYCNYVFPKD-JLKKUCPGSA-N 541.736 6.743 50 10 KKGE in-vitro COc1ccc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N 252620692 MJWDMAULTMDSRQ-AOYPEHQESA-N 586.639 7.194 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 254498535 ZBODFLBFDYNZFO-UHFFFAOYSA-N 634.736 5.640 50 10 KKGE CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 254630239 RBYRHDBWVSOLNG-KJJXNBJRSA-N 597.587 5.650 50 10 KKGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NN=C(C)c3ccc(NC(=O)c4csc5ccccc45)cc3)CC2)cc1 254704491 ARFGLVWHHOGXHB-UHFFFAOYSA-N 590.727 5.103 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 263632874 DCLHTJMHRQULFC-FRRJFLSASA-N 706.850 6.072 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 605692811 OFDIKJKJPJTORF-LHXLCLOBSA-N 705.251 11.282 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586794 HODUUTHQNQITGS-JALQUMOWSA-N 779.062 9.261 50 10 KKGE Cc1c(C)c2c(c(C)c1OC(=O)Oc1ccc([N+](=O)[O-])cc1)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 888087437 CLQIBMXXWRIYFN-UXUDLTKPSA-N 595.821 10.621 50 10 KKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083914233 AONSMGUNLXDHCP-UHFFFAOYSA-N 567.223 6.324 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1083920197 HFZDLVVINLEVMQ-UHFFFAOYSA-N 604.069 6.731 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1 1084047280 KOHIBFKLCWFIND-UHFFFAOYSA-N 564.063 5.273 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 1084106246 CCFHSYYBWWEHOI-UHFFFAOYSA-N 668.123 7.214 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)cc2)S(C)(=O)=O)cc1C 1084137264 AYZNYKUINLYDJG-UHFFFAOYSA-N 607.574 6.204 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 1084346314 KJJXCQICIVGEIT-UHFFFAOYSA-N 680.373 8.707 50 10 KKGE COc1cccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 1084512328 NCHCUBMJGCUSFB-UHFFFAOYSA-N 687.012 6.353 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 1084512366 VVZUMRIMGSUMFD-UHFFFAOYSA-N 616.918 8.351 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729543 UAQBJDDMZNZJFW-UHFFFAOYSA-N 529.424 5.523 50 10 KKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772755965 WFAYGJUIFCCINW-OAQYLSRUSA-N 529.434 6.613 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1O 1865681967 BZQVCANSMHMVIK-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865687006 HHGCSYRTPRJPGV-HSZRJFAPSA-N 526.559 6.054 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865690764 ALIDYUJIVLNWHV-MUUNZHRXSA-N 555.078 7.379 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865691167 LJBCXWPBTTUCHM-SANMLTNESA-N 562.592 7.230 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865693428 OGHRXRVBVIRSLF-AREMUKBSSA-N 507.594 5.730 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865693449 VRIGGKHWCQMQJN-QFIPXVFZSA-N 541.421 5.411 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694959 GQBKYSYUHUIIFN-NDEPHWFRSA-N 522.605 5.558 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OC 1865696001 BEEBEXAYPYGJME-MUUNZHRXSA-N 571.077 6.666 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1OC(C)C 1865696058 BNTMXXFVLAYDJE-LJAQVGFWSA-N 528.612 6.706 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701040 KHUCEOKQYUVORU-AREMUKBSSA-N 549.433 6.737 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701116 MJXMJSOXBBFXNE-HHHXNRCGSA-N 579.915 7.641 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704032 LEGHVEJSTUJVKU-AREMUKBSSA-N 514.988 6.083 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714035 BCOMGIVQHPNAGW-MHZLTWQESA-N 546.583 5.642 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866719515 GVSKHKARCDOABI-SVBPBHIXSA-N 515.704 6.200 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866756483 HEZZAFACIVFHSC-PMERELPUSA-N 587.717 7.117 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749882 LMMXCCWEZPHLLL-KXNAUXDSSA-N 519.648 5.809 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 1873940834 JVIJSAGYMDDPLR-RFBIWTDZSA-N 505.599 6.842 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2occc2Br)c1 1899858357 GBDZIYODQXMLQD-QGZVFWFLSA-N 501.012 6.868 50 10 KKGE O=C(c1ccc(F)cc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915313443 NRIGYIAKDBPQMA-SFHVURJKSA-N 502.165 5.246 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066467 PYMSSKCCOSZRSD-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccnc2ccc(OC)cc12 1988182091 MSDLKHFBQOXJPJ-MFZXWPQSSA-N 613.742 6.593 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccsc2Br)c1Br 2024282385 LINLDWKTCYLWGN-NSHDSACASA-N 503.879 6.828 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)cc1Br 2032959155 VNNJMFMFGJFJHN-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE CCc1ccc(CBr)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2059314262 IRWUKQFLBCQWHV-UHFFFAOYSA-N 515.517 5.467 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2CCCCO2)C[C@H]1C[C@H]3O 2070206443 QENLZIAWWAHCNU-BGHYDIFCSA-N 590.962 8.493 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)o2)c1Br 2081072710 XFXJNBMVTOOYCC-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE CC[C@]12CO[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2084490634 KBSUUTDZXZPUCH-KPXOXKRLSA-N 523.910 6.431 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085493079 WYOONAUFURHORL-GFCCVEGCSA-N 538.324 7.435 50 10 KKGE C[C@@H]1CCCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469267 UFIVECUAMZEABZ-WGZSSWNPSA-N 538.343 7.843 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)ccc1Br 2203831031 ZZXBXLSURDZQHP-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2217920618 UBKSPUFULACXOR-LJQANCHMSA-N 514.870 7.330 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)s1 2233017759 CDTVABZTPOOXCY-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C(C)(C)CN(C)Cc1ccccc1 2234060082 VVTMKKVGYDOADE-AWEZNQCLSA-N 513.705 6.728 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)cc(C)c1Br 2235684126 VIUNGYLABDVHHB-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Cn1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)n1 2263510935 VGVJNDANOSREIM-LLVKDONJSA-N 501.842 5.386 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2282787425 QAVHELWMZPSWNO-ZDUSSCGKSA-N 706.605 7.965 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198306 RZLSUHJYYASERO-VWLOTQADSA-N 536.484 6.087 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293771956 CBBPZOZLUNXNDK-VDKFGBPCSA-N 573.023 10.021 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCOC(=O)COCC(=O)O)C[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CC[C@@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819130 LWCXCQDTDVSQAT-DIQWCOEASA-N 817.354 12.690 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2ccc3ccccc3c2)c1 2295672730 ZDPCIXPKGZJYIS-UHFFFAOYSA-N 554.668 7.335 50 10 KKGE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NNC(=O)CCCN3C(=O)C(=Cc4ccc(C)cc4)SC3=S)C2=O)cc1 2295927364 DGLPHWJCQFWYNH-UHFFFAOYSA-N 638.862 5.114 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296154723 YCCMXQKKKKEGJN-SFHVURJKSA-N 536.679 7.084 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C(C)=O)c1C 2297466748 CBXQUIUYOVFPPK-UHFFFAOYSA-N 513.644 7.203 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2-c2ccccc2)cc1 2313546031 XKYLUHROELOELL-UHFFFAOYSA-N 606.726 7.244 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Br)cc1 2313567549 LNSXBECTWSYPMX-UHFFFAOYSA-N 566.883 5.946 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314448300 GRVSAEKQNQHPGE-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CCCC2 2314482420 KSMNORMFJNDTMI-UHFFFAOYSA-N 515.418 6.916 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(Cl)cc3Cl)nc12 2314532270 ILAAALDILCBDIZ-UHFFFAOYSA-N 559.331 6.667 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593270 KNSDZINBJQCOPW-JIPXPUAJSA-N 511.647 5.697 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314618468 OCQAUOQRZADHNS-PMERELPUSA-N 570.649 5.890 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 2314634495 ZTSHCKCXEVONGN-HSZRJFAPSA-N 515.755 6.623 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 2314640646 HSDCOPBTQDJQIT-HKBQPEDESA-N 534.999 6.756 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640658 IIQXIZZBTIHLHU-HKBQPEDESA-N 569.444 7.409 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643468 ZBGQJTXUAGGJMR-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)NN=Cc3cccc4[nH]ccc34)cc2)sc(C)c1C 2321698152 QZLSAWZIHBHFAM-QGZVFWFLSA-N 532.622 5.193 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 2331396392 UJUVVDURKWTDCP-SFHVURJKSA-N 515.635 6.048 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354881855 CDJKPCHJMLPBQD-AVWBDOJWSA-N 505.541 7.922 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1 2367483000 YLOVPYLWDVIDPP-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)nc2ccccc21 33385856 QMPNYVZLGUQEQY-LHLOQNFPSA-N 507.597 7.069 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc2ccccc12 38657963 ZMZXQZUCXPJZNJ-YTTGMZPUSA-N 508.577 6.795 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 38679387 BAJWCHMEJDUVIC-SLQAJWMNSA-N 528.605 5.637 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3)c(C)c2cc1Cl 38687791 LNUJEOUZBSHMGF-XMMPIXPASA-N 505.357 6.794 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38700654 RVXGSTXEIMUZMB-MUUNZHRXSA-N 508.574 6.584 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 40530051 UACVAQBVHSMVLW-JGCGQSQUSA-N 518.613 6.775 50 10 KKGE Cc1c(C(=O)Oc2ccc(F)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822109 HBRZSPYOFMQGHM-MTDXEUNCSA-N 505.329 5.489 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O[C@H](C)CC 59104483 WRICQQLPLBYPCS-XNHPLOEXSA-N 510.432 5.772 50 10 KKGE COc1cccc(N(CC(=O)N/N=C(/C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 59436971 GQUGZWRXXCXKBP-IADYIPOJSA-N 507.656 5.059 50 10 KKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1 97915104 JLSHUMOGHMWAQQ-AREMUKBSSA-N 505.486 6.277 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 100145973 FWXSJESZGDBXHE-YBFXNURJSA-N 526.228 6.645 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335523 CDJCOGKXGUKGAJ-LICLKQGHSA-N 589.773 5.986 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240866 PXTWCPOENNCANB-IDJUBOEBSA-N 536.484 6.298 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242504 NJVQZDVZMZJVME-VHAPMWFVSA-N 542.444 5.728 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244867 YRDPXCDRAAVOEL-OGCOBRASSA-N 556.009 7.041 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101337178 DQFWSAPSQWHRBD-BGUYBBADSA-N 536.632 5.406 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101338038 FCTBOBVLFKZJEK-OVVQPSECSA-N 502.549 5.513 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338113 VYPXKNBKPPUKQB-DFKUXCBWSA-N 572.734 7.266 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101340906 PEFFQZDVMWLMSW-OEAKJJBVSA-N 503.385 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101378992 XKEDPPHXURMTBT-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380276 KJQISOGTGQIESQ-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380496 AATJAJICMCPYFO-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383983 IRCHNJFWUWBSSX-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(COc2ccc(Br)cc2)o1 102350121 RCPCXZGTBGURGA-WJDWOHSUSA-N 543.439 6.528 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 105508881 MRUYIIOKXSUVGU-LUOAPIJWSA-N 523.214 5.893 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(I)c2)cc1Br 128695975 MGHUZZMDGMLELF-CQSZACIVSA-N 500.399 6.453 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2I)cc1Br 128781081 SAWHKHYFJMIKSF-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 128839894 ZYAHEGMXGKXYRL-LLVKDONJSA-N 582.775 7.591 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 150411125 XGZHDNBNHBPCEO-DXMZMKEOSA-N 731.230 6.697 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432998 LWJVKLBDZKOJOY-UUWRZZSWSA-N 645.539 7.791 50 10 KKGE O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(/N=C(/S)Nc3ccc(SSCCNc4ccccc4[N+](=O)[O-])nc3)cc21 150654704 XMQFXPPYEQWBIO-UHFFFAOYSA-N 711.803 7.851 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205776651 RRYXAOZFFJIKQB-JPXQZSQPSA-N 618.715 5.163 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214226090 JGYMRJLOFLKHIM-COEJQBHMSA-N 556.666 6.819 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214321065 FVMIHMARERAGTL-CFRSBCSRSA-N 506.606 5.236 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 214362295 RBFVXCRGABNFIW-IMRQLAEWSA-N 506.606 5.863 50 10 KKGE Cl[C@H](Cc1ccc(Br)cc1)c1cc(I)ccc1Br 236027895 WIPSCSYJKPLMBK-CQSZACIVSA-N 500.399 6.339 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 254287680 GXHKXHYPCHHKQH-UHFFFAOYSA-N 689.538 6.105 50 10 KKGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254396332 REZGHOWWRZEVDV-UHFFFAOYSA-N 516.594 5.351 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cccc(Oc2ccccc2)c1 254397228 UWTUMCKBVCUMTO-UHFFFAOYSA-N 624.508 5.716 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 725380339 RDOREYALICYCHG-QFIPXVFZSA-N 501.808 5.645 50 10 KKGE CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\CCCCCC 888086731 VSGJCNIAOLHTIR-BFEVMTRQSA-N 583.338 11.195 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccc(Br)cc2)c1 1084167635 IRKHCESRANBEBX-UHFFFAOYSA-N 538.276 5.941 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 1084196102 UEWXMICSIHFXNW-UHFFFAOYSA-N 560.610 6.712 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC#N 1084239049 DOINXKPQFMDLTF-UHFFFAOYSA-N 518.617 6.246 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(F)c1 1084270222 WIZIQGDZSKCMHR-LZYBPNLTSA-N 505.760 6.919 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 1084286954 QSMKXLJAKQKLJX-UHFFFAOYSA-N 578.716 8.203 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1084293895 QUHDWGMPARGYFR-PXLXIMEGSA-N 595.324 8.288 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 1084307932 RLSZHUGVWQSECV-UHFFFAOYSA-N 582.509 6.226 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1F 1084362645 MPDDQUIWLARXDF-UHFFFAOYSA-N 536.401 6.121 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 1084420367 HVQHBKXOZBYJTK-UHFFFAOYSA-N 559.585 5.946 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cc(Cl)cc(Cl)c1O 1084421755 QLDLJKSYXVIKOU-UHFFFAOYSA-N 510.997 5.062 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084517863 WHYMWFCHRIFAEW-UHFFFAOYSA-N 608.120 5.060 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865687633 WKAHUDVVMPPRTI-LJAQVGFWSA-N 534.660 6.703 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865691562 VMCUZILZJVAFJI-HHHXNRCGSA-N 521.621 6.120 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701382 UKUWJTQAVUGHLA-HHHXNRCGSA-N 579.915 7.641 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865703352 UNXJRGDOXGPMFH-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703675 YSDXGYZSCPGWSS-NDEPHWFRSA-N 561.469 6.992 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865704706 CFFDMNSTBNICNF-RUZDIDTESA-N 512.953 5.280 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705075 LHGLNBVOZLWBSS-LJAQVGFWSA-N 554.606 6.294 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705470 WPYUMKAFCTZQAI-AREMUKBSSA-N 541.007 5.924 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710528 AVTUYDMFSYRLBE-HSZRJFAPSA-N 536.941 6.497 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711543 BAVVJKWULJAFTB-QHCPKHFHSA-N 518.495 5.697 50 10 KKGE COc1cccc([C@@H](C)CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867113791 UGKRIGYXMLETBC-FNZWTVRRSA-N 519.692 5.819 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141734 UCFMXPYVRKRRNL-AHWVRZQESA-N 536.097 6.757 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868301112 KUROCDNREFGMPK-SANMLTNESA-N 510.598 5.585 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1Cl 1872729062 LMXVBFOSQIADBH-CAOOACKPSA-N 513.333 6.325 50 10 KKGE COc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1876919478 UCIAOFICXMYSCZ-VIFPVBQESA-N 509.872 7.073 50 10 KKGE C[C@@H](C1CC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780175 POBBIRKUMGLMMH-XUOSJQGZSA-N 554.740 7.219 50 10 KKGE Clc1cc(I)c(OC[C@H](CBr)C2CCC2)c(I)c1 2029292208 WVSZNKDZCNJSFX-VIFPVBQESA-N 555.419 5.739 50 10 KKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)C(c1ccccc1)c1ccccc1 2040465554 VFPOUPGISLTAHZ-UHFFFAOYSA-N 504.590 5.815 50 10 KKGE Cn1nc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1Cl 2083331817 DBRRDFGOFKCTBJ-QMMMGPOBSA-N 522.260 5.845 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(Br)cc1I 2086139819 TZFLSYPTGFKGRM-QMMMGPOBSA-N 605.742 7.622 50 10 KKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1Br 2142290353 AXMFQZJUAVBQLQ-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CCCCCCC2)c1Br 2206397381 ITDUACWAMSMTQK-CYBMUJFWSA-N 596.821 8.533 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)c(I)c1 2207270701 CYMNKGTWRPUPQQ-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 2218597306 LMMMCUHIZDKGOZ-JTQLQIEISA-N 586.738 7.422 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1sc(Br)cc1Br 2221705109 XLJOSJCLHMBDOT-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2224051897 JYROZPVXLNHXBP-SECBINFHSA-N 540.873 7.215 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c(C)c1Cl 2224310482 HOAQFXXDFVMAQK-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)c(C)c1Br 2227363047 STNSLFKODWWTRH-CQSZACIVSA-N 531.933 7.445 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2231826741 SZCMARWQNBTHDR-ORVGVNGYSA-N 507.391 6.283 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238071726 PZYGUDXTPMMJQQ-HNNXBMFYSA-N 511.954 5.612 50 10 KKGE Cc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)ccc1I 2238077363 SQRGBZVNSSSHKU-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1sccc1I 2277974396 JBLKEWXAQUMUAR-LLVKDONJSA-N 536.454 6.570 50 10 KKGE Brc1cc2sc([C@@H](Br)Cc3ccccc3I)cc2s1 2278029826 ZLTNWNFUOSFLQR-VIFPVBQESA-N 528.072 7.009 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccccc1C#N 2294581427 VZROIHLWGFLSMI-UHFFFAOYSA-N 506.331 5.593 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2294764871 CYJHAYOOUYREIC-UHFFFAOYSA-N 558.388 5.359 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818774 ZGOPKSBMLRPLLN-DVHVTLHXSA-N 855.298 15.406 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1 2313567248 FGAKTNYSNNRFQJ-UHFFFAOYSA-N 573.228 6.487 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1 2313568447 SNSLAWKJQRZKNM-UHFFFAOYSA-N 638.218 6.468 50 10 KKGE N#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571223 QELHAFIFBXKAQB-UHFFFAOYSA-N 624.003 5.651 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1Cl 2313571319 SGZMOODIVKQWCM-UHFFFAOYSA-N 527.205 6.752 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 2313667750 UZNAUWVKIDQTPA-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592349 RNSVVIQSUZQAGM-XMMPIXPASA-N 522.457 6.675 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593553 OXTKWWNCSOCQHL-NDEPHWFRSA-N 509.675 6.115 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 2314640701 OORJBSNUKPMHHJ-YTTGMZPUSA-N 548.570 6.250 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OCCCC)cc3)cs2)cc1OC 2314753964 HIGIAGFJTISSHS-UHFFFAOYSA-N 533.694 7.502 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1C 2315633838 REYUCHFWZHGKHW-QGZVFWFLSA-N 529.070 6.317 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240295 TWWSATDGJGDIAW-XMMPIXPASA-N 515.660 5.899 50 10 KKGE Cc1c(Cl)cccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256315 VLIFNKWOQRLFGL-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2ccc(Br)cc2)cc2ccccc12 1949927 NQNABQBEVZEIJB-UHFFFAOYSA-N 549.222 6.118 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1C 3084650 BBNCZWRBVYQKCA-BIZUNTBRSA-N 562.091 5.881 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2c(Br)cc(Br)c(O)c2Br)cc1 8448738 TXOSJKFQNZKNMJ-DQGCDLMYSA-N 573.123 6.231 50 10 KKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 10683714 SSMWBBUAEXJJJX-UTKZUKDTSA-N 519.480 5.644 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29491568 GHSPBOKNCLDNFY-LKUDQCMESA-N 574.710 6.385 50 10 KKGE O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCC2)c1)[C@@H](Cl)c1ccccc1 35728695 BJUMOFISUYRCJO-LJAQVGFWSA-N 516.085 6.300 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680392 BHPVKPFIYAXTOT-RUZDIDTESA-N 506.961 6.485 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)oc2ccc(Br)cc12 38688416 IZZLVSCZZHPUDW-NRFANRHFSA-N 507.365 6.003 50 10 KKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)c1 39858758 MXCZEACSMOJGGE-AQTBWJFISA-N 500.942 5.311 50 10 KKGE O=C/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 59106248 CUXBFMXZUCCELK-IWQZZHSRSA-N 542.107 6.683 50 10 KKGE CN(C)CCOc1ccc([C@H](c2ccc(OCc3ccccc3)cc2)[C@@H](CCCl)c2ccccc2)cc1 97974036 PTYHAUDPISYCIX-JHOUSYSJSA-N 514.109 7.751 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212940 WQAGTJVXWLJPIR-UHFFFAOYSA-N 598.563 5.979 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)cc1 100236061 XQAKZUMPQARDMS-WIQDYGPDSA-N 559.888 6.353 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 100236333 IBAHEWJCRRJEQY-APTYXWLQSA-N 573.459 5.929 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 100475488 ABNJXHXPNZAICV-WJDWOHSUSA-N 526.730 5.776 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 100883452 UNUFJJZMVMFXFV-PLRJNAJWSA-N 537.063 7.128 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101314686 HJQVDLLFZJYZRH-SANMLTNESA-N 557.400 6.506 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 101335837 KETLTJJELXHJDB-RGVLZGJSSA-N 515.393 5.210 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101337649 CABVVCQYVFBNCQ-AIHMMONASA-N 556.666 6.988 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101337700 LPNVIANPHBOIIM-DYDGXOQUSA-N 625.128 8.125 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101338027 SBENMQLDACMKIE-YZSQISJMSA-N 559.582 5.291 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101338646 PZYXKNAQUSCOQM-ZCTHSVRISA-N 589.095 7.307 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101339885 BXOLHFVFDQWQEB-JVWAILMASA-N 589.608 5.647 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101367770 MAEQUSCYLBUUCP-GDLZYMKVSA-N 563.050 6.347 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1C 101379262 PYAVTSWDIYCZMV-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381467 MEEXLPQEWNAWAY-MUUNZHRXSA-N 553.412 6.465 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc(OC)c1OC 101381628 ZQTZTVJUTHOGRG-SSEXGKCCSA-N 564.594 5.729 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385874 JMEVNIJNHIMSEF-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 101392523 NYSDDGJYVMEALZ-JOCHJYFZSA-N 587.868 7.316 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 101680591 ZCBNFWOPQYBKFB-NLRVBDNBSA-N 554.687 6.617 50 10 KKGE CCOC(=O)NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 102665618 HMALZPTWSXAQEG-OWBHPGMISA-N 590.912 5.191 50 10 KKGE CCCCCCCCCCCCOc1cc(C(=O)Cl)c(OCCCCCCCCCCCC)cc1C(=O)Cl 103005536 FEWKVHMYPCBVOI-UHFFFAOYSA-N 571.670 11.044 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(=O)OCC)c1C 103629109 DKADBNGTTLFDNZ-CPNJWEJPSA-N 507.637 6.293 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 206238021 OQHGAMSGGYWQAZ-SILNSSARSA-N 510.656 6.317 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC 214374351 HRKZTYYZGHZWMJ-PKAZHMFMSA-N 522.601 5.426 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 233790249 WDNXFTKKLXHKSY-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE COc1cc([C@H](Cl)c2cc(Br)sc2Br)c(OC)cc1Br 234939027 IIXQIONMVGCLRV-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Br)ccc2Br)c1 236030805 WASUYBMCQJQSBO-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE Fc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1F 236153711 FWVKRXHYQBCYSE-GFCCVEGCSA-N 501.934 6.011 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C\c2ccccc2)cc1 252607309 GZYJQDOVYJGLBX-OQFPSYQZSA-N 545.481 5.842 50 10 KKGE C[C@H](CI)[C@H]1CC[C@@H]2/C(=C/[C@@H]3CS(=O)(=O)[C@@H]4CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]34)CCC[C@@]21C 253387351 IDATXVLPBFLZRH-MPQBBXGVSA-N 620.754 7.804 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 254293041 LDLFHSXPFOSDFF-UHFFFAOYSA-N 510.666 5.243 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 254392822 FFIQLZGBFWDJHP-DNQXCXABSA-N 612.102 6.331 50 10 KKGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)[C@@H]2C)c(Br)c2c1OCO2 254484624 VAGIKPSHXOMLKQ-HXPMCKFVSA-N 595.288 5.460 50 10 KKGE COc1cc(-c2cc(C(=O)NN=Cc3ccccc3C(F)(F)F)c3ccccc3n2)cc(OC)c1OC 254566340 KMIYICFPZPOJCG-UHFFFAOYSA-N 509.484 5.710 50 10 KKGE O=C(Cn1cc(C(F)(F)F)ccc1=O)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 254759671 QKZIXPFAAPGUQI-UHFFFAOYSA-N 514.507 5.628 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C\[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)COc1cccc(C(F)(F)F)c1 256009276 WOAZYHLGNODOFU-ATVCGGBRSA-N 666.809 8.875 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](O)[C@@]3(O)C[C@@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146814 OPJUXNZWUHWYAM-OXTXWFLNSA-N 741.200 7.135 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cc(Br)sc3Br)c(Br)cc2N1 380006915 CICVXDBPLXATPP-LBPRGKRZSA-N 544.888 6.015 50 10 KKGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1Br 382697062 BJDWZHZEKCBLQE-SJLPKXTDSA-N 514.201 5.545 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(Br)c1 721612926 JTIHLCXSHAJLDP-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 725384754 MMEYTLVEDHWULR-UHFFFAOYSA-N 588.173 7.518 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 725446309 FEQVRKHNWOZVOH-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE C[C@@H](Cc1ccccc1)NC(=O)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1 888085801 PWTFCXHALSMIMN-VRDUQNHNSA-N 788.114 10.097 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083939245 BJTMSNJMCZNAHD-UHFFFAOYSA-N 608.116 5.590 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1083956765 UQMRWZGPWCVESV-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl 1084000450 DLAXCMWLFRKGMB-MFOYZWKCSA-N 521.322 7.145 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc([N+](=O)[O-])cc3)c2)cc(OCC)c1OCC 1084144767 QREAGKJRNYVBRE-UHFFFAOYSA-N 537.569 5.142 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 1084267778 GVRJRFXGSNWASW-OOAXWGSJSA-N 558.479 8.428 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 1084320870 BOSPNICEBXVOJS-UHFFFAOYSA-N 532.778 5.291 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1084347047 QPCRGBYNURCMJM-CXUHLZMHSA-N 522.215 7.433 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084555193 KYZPHFGGUKDRRY-UHFFFAOYSA-N 637.350 5.131 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 1084581980 SWJHFMASSUIDAK-UHFFFAOYSA-N 622.791 8.413 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084593715 CYUJWQDEGNUZSC-UHFFFAOYSA-N 687.702 5.372 50 10 KKGE CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OCC)nn2-c2cccc(Cl)c2)s1 1084657442 YDEODJYUDNOURN-UHFFFAOYSA-N 781.794 9.105 50 10 KKGE O=C(CCCNC(=O)c1ccccc1Br)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 1554143276 KEMDVALNIGLHQA-UHFFFAOYSA-N 587.268 5.091 50 10 KKGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 1614620281 DEAVNUJFQJYFPL-HOTGVXAUSA-N 501.162 5.008 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@]4(C)CBr)CC[C@@]1(C)C(=O)[C@H]2Br 1772721796 SNRXUXZNCDKRMT-PKYFWBQZSA-N 503.275 5.266 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743760 HSMXFEJWNUTSKZ-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747801 REPAPUVXEMHWOZ-UHFFFAOYSA-N 523.405 5.229 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772748127 NPBGYQVJJFHTFV-UHFFFAOYSA-N 528.392 5.794 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683630 GMGPNTXTXZKGHY-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865686835 CBYYVDRHGXTBQH-QFIPXVFZSA-N 546.977 6.399 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865687008 HHLMTSOYJFPHLG-AREMUKBSSA-N 507.594 5.730 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687497 SJKOJWKBDHQELC-MHZLTWQESA-N 522.605 5.774 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688614 WSERNEAMICNWNS-PMERELPUSA-N 550.659 6.338 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865689022 IAYFMOJCDKUNGY-JOCHJYFZSA-N 547.384 5.432 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689036 IJKWFVYHNGMABO-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696674 IULRXQVNQMOQBG-HHHXNRCGSA-N 522.605 5.870 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703103 MYXJFXVRZLIYOE-QHCPKHFHSA-N 513.425 5.968 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865703275 SBRPLMWDMLBOJR-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711834 IWADZVHMUGJXKE-GDLZYMKVSA-N 504.634 6.298 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866995248 IYAARHAZFQSFPN-NAKRPHOHSA-N 563.745 6.073 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)n2)c1 1868506193 TVAZNZZFCQWBKU-XMMPIXPASA-N 528.081 7.334 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)c(C)c1 1872748529 BJJSFMFUPQGFCZ-FLFQWRMESA-N 514.072 6.205 50 10 KKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915287820 CLNGEVYTFJYUAD-GOSISDBHSA-N 520.636 5.960 50 10 KKGE O=C(c1cc(Br)ccc1I)N(Cc1ccccc1)C1(CCl)CCC1 1915768817 UHTMKJBIIMGBBN-UHFFFAOYSA-N 518.620 5.858 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Br 1922897006 KDBFSVOVHZYXJQ-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Br)cc2F)c1Br 1922905853 DDKQGARLXZMNQW-SECBINFHSA-N 535.896 7.162 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3c(s2)CCC3)c1Br 1924592489 ZCDOUUJOAQWGFC-VIFPVBQESA-N 535.946 7.070 50 10 KKGE Clc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1I 1925584714 KVOLRUNTSOBOPI-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE CCCCC[C@H](O[Si](C)(C)C)[C@H](CCC[C@@H](O[Si](C)(C)C)[C@@H](CCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933247611 OLRCGWNXIZTGHI-RRGQHJHPSA-N 651.239 9.741 50 10 KKGE CCOC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085494896 OALKBSCVYGDJIL-NSHDSACASA-N 570.739 6.742 50 10 KKGE FC(F)(F)C(F)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477521 RHXFDFJSBMCRJD-ZETCQYMHSA-N 560.174 7.214 50 10 KKGE C[C@@H](COc1c(I)cc(I)cc1I)c1nc(CCl)cs1 2166293349 YYFGQWVEWMOLFG-ZETCQYMHSA-N 645.469 5.878 50 10 KKGE C[C@H](c1cscc1Br)N(C)c1c(CBr)ccc(Br)c1Cl 2186578142 HIJBJXONXRRFRY-MRVPVSSYSA-N 502.497 7.019 50 10 KKGE Fc1ccc(Cl)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404571 AYTMPDJLVNMKRM-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE Brc1ccccc1[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2222471650 LSHOKBFPHMYWED-QMMMGPOBSA-N 582.775 7.477 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1Cl 2232508436 FKWKCDKLDQDUFS-LLVKDONJSA-N 587.158 8.419 50 10 KKGE Cc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)cc1I 2232834346 UHNSENBUXPGOEZ-HNNXBMFYSA-N 510.540 5.467 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2cc(Br)sc2Br)c1 2265966637 FJHJFFRRWFVEFV-ZDUSSCGKSA-N 531.933 7.643 50 10 KKGE Brc1cc2sc([C@H](Br)Cc3ccccc3I)cc2s1 2278029825 ZLTNWNFUOSFLQR-SECBINFHSA-N 528.072 7.009 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 2294764881 PGLDMPNLNQXJHW-UHFFFAOYSA-N 539.613 5.287 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 2296500560 ZHTCIXWHLMNKHK-UHFFFAOYSA-N 523.054 7.360 50 10 KKGE O=CC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2297620040 CUXBFMXZUCCELK-UHFFFAOYSA-N 542.107 6.683 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1csc(I)c1 2300647338 WLOFZVTVWYPETD-GFCCVEGCSA-N 506.066 6.614 50 10 KKGE C[C@@H]1C[C@@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2312064186 VQZQUFWWDHEMCG-JSLHKWLSSA-N 522.300 7.063 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313567957 QLUGQDYLELGPLC-UHFFFAOYSA-N 615.355 6.989 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1 2313568323 URIAMZWFHVITJE-UHFFFAOYSA-N 561.217 5.781 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1 2313571214 PYUABUUGHUVIAJ-UHFFFAOYSA-N 637.257 6.820 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 2314534154 ZPSQPSVSKHFYNW-UHFFFAOYSA-N 524.886 6.013 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 2314592275 PNUCROPCOYOXBJ-NDEPHWFRSA-N 525.674 6.411 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634614 OZWGHOWNXUETIM-MHZLTWQESA-N 502.954 5.584 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314735258 PYEBTKWFHZULPR-UHFFFAOYSA-N 512.993 7.104 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2coc(Br)c2)c1Br 2315437893 ZCQRFOHYEXGZTE-SECBINFHSA-N 526.219 6.844 50 10 KKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)c(Cl)cc1Br 2316770361 NOMMVJWUWLTCKD-JTQLQIEISA-N 544.836 7.045 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320488216 BTVGQRQUTKRZSB-UHFFFAOYSA-N 615.180 7.094 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 2331449423 ZNJCIGOPZLQZIL-UHFFFAOYSA-N 519.667 6.227 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2333303428 CQHNZDGZGJBUJI-FITKCZHHSA-N 582.750 6.598 50 10 KKGE CO[C@@H]1C[C@@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2333303903 YAYODKVUSPSSFE-UZBVEPSZSA-N 538.299 6.442 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2338023756 LDBWXMJEVDKCGS-CQSZACIVSA-N 531.933 7.472 50 10 KKGE Cc1scc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2343565452 XHLTUFDALGTBTG-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE Cc1cccc(C[C@H](CBr)Cc2ccc(I)c(Br)c2)c1 2377335418 SBFYIZFDVMTTRL-HNNXBMFYSA-N 508.035 6.158 50 10 KKGE Clc1ccccc1[C@H](CI)OCc1ccc(I)c(Br)c1 2377610032 BUHBNSPFKXVPAX-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 14150878 KQUFROUBPVNIKH-WYMLVPIESA-N 515.418 6.916 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1Br 14640745 PRIZUPGMIKMCGL-UHFFFAOYSA-N 518.452 5.205 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 14768693 ICDYBULOCIUVFO-HSZRJFAPSA-N 514.409 5.384 50 10 KKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 27550538 ILFWRIFCIOUSCJ-SIBVEZHUSA-N 519.592 7.082 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 34988463 GDSUJZWLJWMYAL-HIXSDJFHSA-N 515.617 7.211 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCCC(C)C 38660355 IXHCBNPLIOPZOL-GDLZYMKVSA-N 514.578 5.323 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 38679006 LEEPJFXJPKJCHZ-MUUNZHRXSA-N 512.606 6.219 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658831 NVWKPUNMTBCPTJ-UHFFFAOYSA-N 511.325 5.984 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c(OC)c1 40813711 NJSYSYYZDACLEV-VUTHCHCSSA-N 516.381 5.635 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1OC 97914797 IFFDLQWEQJMVNO-VKDLEMAVSA-N 531.093 5.496 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 100238460 CYBCPDAKTJHQJA-SGKMTROSSA-N 561.635 5.664 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101012387 WLXOBBRCPPWSMK-ITYLOYPMSA-N 545.042 7.626 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101307098 RPRVCEYVCBSJPP-KEEVHDRGSA-N 540.616 5.974 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 101333225 OVTCNUPYXLKPDP-HZHRSRAPSA-N 525.565 5.239 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101339721 QRFRJZCHSAJPHM-BIZUNTBRSA-N 620.665 6.639 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101367718 ULJNGNSODAQGKQ-MUUNZHRXSA-N 534.996 5.730 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381821 PCUYXNSFROKFAR-XIFFEERXSA-N 546.623 6.592 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383033 JFEDWQYIWCNXDW-XFSFLGPDSA-N 581.068 7.072 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383283 KYBMHUGEHJFGKT-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384492 SHLGFNITOUEJIH-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385493 ZHYOSNIOMNUPRU-YTTGMZPUSA-N 567.041 6.602 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385899 QGHSEOYTLMQPKN-XIFFEERXSA-N 597.067 6.693 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388354 CNNNQGKCBGJHFC-MGBGTMOVSA-N 597.067 6.693 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 102850134 MZAUUVJJOQEOHQ-KQWNVCNZSA-N 578.488 6.194 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1 103796052 NGGRNZSTORPNOL-WCMJOSRZSA-N 567.867 7.319 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 104803687 DZZCSLVRKVMNON-UHFFFAOYSA-N 604.354 5.007 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2OCC)cc1 105061750 YVGVNIOANNKJGH-ZSNJKBEMSA-N 621.517 7.743 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 206411212 DPRSNGVXZAYPPB-XYGWBWBKSA-N 522.557 5.471 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1OC 206501920 GYWQZMPHDQPGJU-QRBIQNAOSA-N 506.599 5.325 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(CO)c(O)c(SSc2cc(C(C)(C)CC(C)(C)C)cc(CO)c2O)c1 206703639 KDNFCSAFPNPRHO-UHFFFAOYSA-N 534.828 8.309 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 210606655 VDXRUHUWIKTVDM-WULFHVAMSA-N 502.551 6.599 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214242664 NIPVYPDGKAFLTP-JDCMOKTRSA-N 570.693 7.291 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc(I)ccc1Br 236038515 VFBYFCLUOOMODC-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 252590099 AOXPJYBPPLOFSG-UHFFFAOYSA-N 542.668 6.428 50 10 KKGE COc1ccc(C=NNC(=O)[C@]2(C)CC2(Cl)Cl)cc1CSc1nc(C(F)F)cc(C)c1C#N 252630193 UWTSMVPOEAULLR-NRFANRHFSA-N 513.397 5.534 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)CC(=O)N/N=C1\CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 253568503 LHMLAZXXRXFKSK-UIEDWIDFSA-N 636.837 6.845 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 254608740 UWXZYUOOEQIOFB-UHFFFAOYSA-N 524.415 5.246 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1 254702169 FQSSEGNAADNTCZ-UHFFFAOYSA-N 577.684 8.163 50 10 KKGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 254872327 SRISPRAVOYUJGA-UHFFFAOYSA-N 641.110 5.731 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)c1ccc(NC(=O)C2CCC2)cc1 254877667 LTBZJVPHCRNCAR-UHFFFAOYSA-N 506.562 5.523 50 10 KKGE Cc1cccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c1I 380175512 ZQGREWXSOADUOU-VIFPVBQESA-N 539.980 6.927 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cccc(I)c2)C1 382710577 YBTBXXZMXGKVAF-AEFFLSMTSA-N 500.174 5.038 50 10 KKGE O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@H](I)C[C@H]12 504224045 YXECGMDYLGXYJR-IMSYQTIJSA-N 979.723 8.002 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@@](C)=O 575232317 MEIKKMCUTRNHMT-DIUJZLISSA-N 679.405 5.437 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)(C)C)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590486 SAHJWPXTHJECLJ-LGXXXXLNSA-N 755.034 6.751 50 10 KKGE CC[C@H](Oc1ccc(Br)cc1/C=N\NC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 675031815 OWOVKJIDZSPCJM-GNEVPJOISA-N 618.890 5.110 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCCc1ccc(Br)cn1 695702956 BJVIVWLKXSRUOG-UHFFFAOYSA-N 528.864 5.886 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 724983929 MPSHVHIZXAXTCO-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE CCOC(=O)[C@@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725238489 UHOJPMPDJWUHSQ-KNQAVFIVSA-N 525.136 5.160 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 1084051155 ZTBJHNTVQFUCID-UHFFFAOYSA-N 531.410 5.738 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084164858 MSULOYLOYCNOBJ-UHFFFAOYSA-N 524.327 5.455 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084243272 FTMULWRYAVLKOI-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084318572 NPUMDTOZFXFQAH-UHFFFAOYSA-N 623.087 5.490 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 1084398457 XVRBQLVYDWNYOX-DEOSSOPVSA-N 529.406 5.530 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Br)cc1 1084483885 PVYTWQCFHAGEBW-UHFFFAOYSA-N 597.101 6.326 50 10 KKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084541849 PGHUDBGWQRAQNI-UHFFFAOYSA-N 511.581 6.119 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1 1084562854 YNLLOOOZEIJNLG-UHFFFAOYSA-N 626.526 8.096 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084607531 PNAISDPXKYMANH-UHFFFAOYSA-N 638.518 7.265 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746844 AOVUCSWBTAZCTN-UHFFFAOYSA-N 548.426 7.410 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)c1 1772749033 GNHKVNQOBHPZJE-UHFFFAOYSA-N 519.907 5.992 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12 1772760299 ACHFHPXQXPVVCZ-UHFFFAOYSA-N 518.063 6.924 50 10 KKGE CCCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665419 HOLIBVBKAUVEFC-CRBQUDRPSA-N 563.705 9.893 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685199 FNNYKZVJDJVGRM-SANMLTNESA-N 539.422 7.226 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865687376 PYQZUVOMDLZJCL-DEOSSOPVSA-N 532.522 6.005 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688547 UUQUWQZWBDIGNL-NDEPHWFRSA-N 549.030 6.640 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1865695323 NOPOMAYHRXIZGP-RUZDIDTESA-N 562.548 6.014 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865697072 WFCLUILRHNVGHU-JOCHJYFZSA-N 512.532 6.077 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865697284 ZEHAIGHOXZPBLT-JGCGQSQUSA-N 570.693 7.878 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698569 XRFQUHIHZISJEJ-QFIPXVFZSA-N 541.421 5.409 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706097 NNMPLVMQGRZHMD-MHZLTWQESA-N 559.041 6.401 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707842 HLDNPAWZBABHBU-RUZDIDTESA-N 528.996 5.496 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714012 AWVKAWFVKSAHAM-HSZRJFAPSA-N 565.413 5.796 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866673992 PPFYFWHCUQJBGA-NDEPHWFRSA-N 584.654 5.066 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866972409 ANBHAYJZINCVOJ-BJKOFHAPSA-N 522.468 6.258 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034051 QPZKFFLJKFFJKN-VXKWHMMOSA-N 556.486 5.549 50 10 KKGE CCCC[C@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867195510 AKXVOEXBNSALFF-NRFANRHFSA-N 541.471 5.842 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)c1 1868415556 YPCPDBDAFDQKPI-UHFFFAOYSA-N 542.108 7.724 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1)CC3 1868456277 MPUUOCWARFTWDY-UHFFFAOYSA-N 504.594 7.150 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1Cl 1924569803 AMEAHIMHEAPBTB-BYPYZUCNSA-N 518.283 6.404 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924593807 ICIFKMLTNJGPLB-ZETCQYMHSA-N 542.287 7.312 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C(C)(C)CBr)c1I 1951708852 MDZFSVQAKGAACS-UHFFFAOYSA-N 705.938 6.520 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCO1 2025783658 VNRSWRAOPCDWEQ-RDDDGLTNSA-N 512.261 6.196 50 10 KKGE Fc1cscc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493835 HOUNVKOIHKZKQA-NSHDSACASA-N 542.287 7.265 50 10 KKGE C[C@H](C1CCCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468024 FYMBPRYBHGDSJZ-NXSYQRQQSA-N 538.343 7.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCC2)c1Br 2141476139 XATATHYCIBFHRN-YVZVNANGSA-N 580.778 7.609 50 10 KKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1ccc(I)c(Br)c1 2163750136 DFEPDKCJFCSYGK-CMPLNLGQSA-N 515.027 5.127 50 10 KKGE CCOc1c(Br)cc(CNCCSSCCNC(=O)OC(C)(C)C)cc1Br 2181746192 GWBZUSXLNMQIDU-UHFFFAOYSA-N 544.375 5.606 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201071091 PQXZFDVYDYOGOI-INIZCTEOSA-N 525.904 7.384 50 10 KKGE CCc1nc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2232509353 CJRHRLZFWKEBBO-QMMMGPOBSA-N 543.333 7.675 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)c(Cl)c1Cl 2232518724 FOYDCNFAZLHVAR-LLVKDONJSA-N 634.158 8.261 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1I 2248219734 AZQZHVWQNIZZDH-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2270461278 ONGUITAFRXEMOT-QMMMGPOBSA-N 532.281 7.810 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2293682636 SWDYEUJHWDQWHE-UHFFFAOYSA-N 538.460 6.157 50 10 KKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc(C)c1Br 2295331703 MUALGPLMTUIDRO-OAHLLOKOSA-N 525.904 7.270 50 10 KKGE CCOc1ccc(C=CC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 2313890163 BZYRJHSVIVWLRO-UHFFFAOYSA-N 548.231 5.003 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314489586 RWNKPCYKJGTSBF-UHFFFAOYSA-N 627.523 8.749 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592672 ZWPNQTXTMMHVEA-DEOSSOPVSA-N 572.008 6.741 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)o1 2317397003 YDJSYJQBDSRYIP-SNVBAGLBSA-N 505.801 6.499 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331242784 KRJQSLHSQOPGKQ-IQMFZBJNSA-N 503.580 5.331 50 10 KKGE ClCc1cc(Oc2c(I)cc(Cl)cc2I)c(Cl)cn1 2336414523 WKIMWTXALMUZPA-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE FC(F)(CI)C(F)(F)CNCc1c(Br)cccc1Br 2336537922 BMDKFBLNRLVDRU-UHFFFAOYSA-N 518.912 5.007 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)c(Br)nn2C)c1Br 2364068029 BILNDYZTWOMVJY-LLVKDONJSA-N 550.314 6.415 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccc(I)c(Br)c1 2377284679 CMOCAKKONLFDKS-UHFFFAOYSA-N 639.745 7.053 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccc(I)cc1 2380942826 USVVQXIWYPUUBU-KRWDZBQOSA-N 508.035 6.970 50 10 KKGE CC(C)(C)Oc1ccc([C@H](Br)c2cc(I)sn2)cc1Br 2381301761 LJWJGJXCZVBBFU-ZDUSSCGKSA-N 531.051 6.172 50 10 KKGE CCSc1sc(CC)cc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CCC2 9981364 BJBBEEBSDCGDIF-OAQYLSRUSA-N 504.508 7.034 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660828 JJDORQBIWIOQSD-MHZLTWQESA-N 505.486 5.824 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OCC 38683927 XHJKNWYRSOLQRK-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38684687 FCLOYWMIUPVQIE-HMILPKGGSA-N 516.569 5.842 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(OC)cc2)C(=O)CCl)cc1OC 97914993 YDHJUVWECNMXIH-MUUNZHRXSA-N 531.093 5.640 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100177877 NFKBCIZTFOHSQK-GFCCVEGCSA-N 562.686 5.156 50 10 KKGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 100183946 WKHFYDFUOIYVJV-UHFFFAOYSA-N 615.116 5.756 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 100186753 RZSKWUFPHORSNR-UHFFFAOYSA-N 571.335 5.428 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1Cl)[C@@H]2Br 100848607 WCIANWBUGVAEMH-RLCCDNCMSA-N 514.483 5.964 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 101286659 OGHYLEDVVOWOSA-NJZRLIGZSA-N 614.702 6.265 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 101333274 BJCUCAJWEHQVDE-ZXVVBBHZSA-N 508.622 6.111 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 101339249 VZHWJBKTVBPBGY-OVVQPSECSA-N 623.109 6.444 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101368350 ZPAMJGQFPIWIGG-ADXZGYQBSA-N 546.595 5.850 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccccc1Br 101370185 IJANNNUWSMSXDU-HSZRJFAPSA-N 556.210 5.414 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 101378078 HWLZQSPGECMWHN-NDEPHWFRSA-N 517.025 7.127 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379388 MIINAMPNEOYUMM-HKBQPEDESA-N 567.041 7.145 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380842 MPDFURAEUWPYGL-MGBGTMOVSA-N 578.640 7.411 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc([N+](=O)[O-])c5)ccc43)c2)cc1 101382562 KVSDSKGBFWCHDJ-LJAQVGFWSA-N 533.540 5.920 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101387142 YKUGUEYKCGXMKN-LJAQVGFWSA-N 567.529 5.759 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387578 MDLXCTMNIIGNBX-GDLZYMKVSA-N 591.422 7.157 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388216 VTGFPHRTLGXMNQ-XIFFEERXSA-N 597.067 6.829 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)c(C)c2cc1C 101391323 XMBQVFTTZORAIB-RUZDIDTESA-N 529.390 6.558 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 101395060 ZRZAYENOIWVQMJ-HHHXNRCGSA-N 528.992 7.011 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCC(C)C 101395605 NNEXLQXZFYXPTN-GDLZYMKVSA-N 538.600 6.530 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)cc1Br 101652267 AGMKBMZMNOLNTG-LICLKQGHSA-N 577.656 6.922 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1OC 101699486 ICEFWQVOGSBZNG-YZSQISJMSA-N 580.637 6.203 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 103739629 RNCQYCYOXWWVEY-PTNGSMBKSA-N 529.445 7.305 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccco4)cc3[N+](=O)[O-])sc2c1)c1ccccc1 103806474 WETFDNHPMOYVJU-JFLMPSFJSA-N 543.586 5.965 50 10 KKGE C/C(=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 105436767 QPPMLXCINJDGEY-NHYZDEDTSA-N 603.144 6.451 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 130494423 ITOXHFKLBFHHMM-NSHDSACASA-N 503.879 6.828 50 10 KKGE O=C(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc1)C2=O 150601301 BQWPAEINZJTPEN-UHFFFAOYSA-N 796.656 6.725 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc([N+](=O)[O-])cc1 150628549 BJNNWJAGPSAFPZ-WYMPLXKRSA-N 627.176 5.147 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)cc1 164606363 RTSQMSPFZNGQGM-UVHMKAGCSA-N 636.227 6.293 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 164650358 IZLKYFJQGYRGSA-KKMKTNMSSA-N 650.223 6.060 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205669756 BBUSKGFODONFHK-JXHXQJEGSA-N 572.661 7.118 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 214248726 OSGBTRGMGVACEC-PKAZHMFMSA-N 508.622 6.027 50 10 KKGE CCCOc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 228999669 LSVDTGBGQOAIBE-CYBMUJFWSA-N 503.481 7.153 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498440 JTGHSJQVBHQKPC-QOGYYBSKSA-N 700.725 12.051 50 10 KKGE biogenic C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(C(=O)Nc2ccccc2)cc1 253572914 QTJOQWQMWFOXKT-UHFFFAOYSA-N 524.769 5.732 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC(=O)c1ccccc1)c1ccccc1 254302839 GFYZYPQIKXEDEB-UHFFFAOYSA-N 607.626 6.137 50 10 KKGE CCc1ccc2c(Cl)c(C(=O)NN=C(C)c3ccc(NC(=O)c4ccc(Cl)s4)cc3)sc2c1 254397288 VRCIQIXWGPDVAH-UHFFFAOYSA-N 516.475 7.238 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 254491469 SNRSWJONVVRIJN-UHFFFAOYSA-N 586.652 5.669 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1cc2ccccc2cc1O 254632247 ZHTLVPNSCKGOFU-UHFFFAOYSA-N 538.607 6.741 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccs1 254866988 XQGOJFMKAZILHM-UHFFFAOYSA-N 508.694 5.328 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)cc2Cl)[C@@H](CI)C1 382704938 FAZYURBDVZUCAK-GWCFXTLKSA-N 500.602 5.488 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 575416547 CNBLTHBPVHYRAS-NSXAWVHRSA-N 514.911 9.597 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591375 YUZLCBDCWPRCMA-BIRRFFDLSA-N 620.771 6.056 50 10 KKGE CCn1c2ccc(P(c3ccccc3)c3ccccc3)cc2c2cc(P(c3ccccc3)c3ccccc3)ccc21 642813989 KKSMBDPSROWQED-UHFFFAOYSA-N 563.621 7.331 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)s1 710906243 WTYQJCXDGGPKBF-LBPRGKRZSA-N 536.454 6.399 50 10 KKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCCC3)ccc1I 721573069 ODYJFIHIQPIIDA-QGZVFWFLSA-N 506.019 6.417 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)cc3c2OCC3)c1I 721695720 BODACDLAOWCRMP-ZDUSSCGKSA-N 511.954 5.612 50 10 KKGE O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237521 JHYOCFZBCHTPQG-DEOSSOPVSA-N 545.970 6.906 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(COC(=O)n5ccnc5)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105644 JRIDSOHCNNISNQ-HOUFRDDSSA-N 590.761 6.203 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)O)c(C=NNC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159646 WGXKBHVFHKAWSE-CYBMUJFWSA-N 570.476 5.034 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 1084106787 SOUVNMSCMDRTPS-UHFFFAOYSA-N 502.368 5.708 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084157642 KSOFWNIQHMWUIF-UHFFFAOYSA-N 506.672 5.002 50 10 KKGE CC(=NNC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@H]2[C@@H]1[C@@H](C)C[C@@H]1[C@H]2CCC2=CC(=NNC(=O)c3cccc(Cl)c3)CC[C@@]21C 1084248792 HHBZLPGKWFBREO-DWNLBVBWSA-N 619.637 8.320 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OCc1ccc(F)cc1Cl 1084261175 HEEGMDSRFAZJPH-UHFFFAOYSA-N 545.998 6.012 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084300457 GEBXYEYNMMUIEM-KGENOOAVSA-N 693.298 5.870 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084358161 PZKMWHZESPVTEK-VIZOYTHASA-N 601.111 8.196 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084495523 BKBDCGNVDFBCOZ-OVCLIPMQSA-N 709.536 7.981 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084581068 RGDPEYWNVLKCFC-UHFFFAOYSA-N 576.118 6.190 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084636928 XVQCEESKDJWGID-XMMPIXPASA-N 620.338 6.162 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 1084641971 AOVKMWPVDGCFCM-UHFFFAOYSA-N 582.473 7.697 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 1565517519 IJSBSYMFVPLHLP-UHFFFAOYSA-N 522.558 6.006 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653163 PHNNLZAEMWVCRT-QFNYJIRUSA-N 501.583 5.138 50 10 KKGE CC[C@H]1C=C(C)C[C@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1848434488 KASDHRXLYQOAKZ-CATKCILFSA-N 810.466 5.719 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865687080 JDHQKXULMNCALN-DEOSSOPVSA-N 540.586 6.363 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865689139 LASLEGDWGDMGAO-SANMLTNESA-N 510.569 5.753 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865689699 CPNAPMQATKPDTC-SANMLTNESA-N 527.024 6.598 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865691333 PQIXRQUWHGULLA-QFIPXVFZSA-N 543.849 5.671 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865691556 VKRFTVODLDRMDE-MUUNZHRXSA-N 555.078 7.379 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693148 RTYMGJCINXOTKP-VWLOTQADSA-N 559.022 5.504 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695449 CQJRTLCQKSIDKZ-QFIPXVFZSA-N 523.431 5.196 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865696131 KCGPLDBAMIEHTB-MRXNPFEDSA-N 560.157 5.943 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865696547 HFDVVSADDVIAES-MHZLTWQESA-N 541.051 6.657 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699431 UFEZFFQIRZASGH-SANMLTNESA-N 522.008 5.970 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701669 BEUOXKMKLDRHCL-QFIPXVFZSA-N 517.358 5.668 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1C 1865702743 DCHJLWXNIQKENK-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704100 NFDXKPTYKCSTTB-RUZDIDTESA-N 506.562 5.140 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1OCc1cccc(C)c1 1865705237 PDTCUWCTRUOSDD-NDEPHWFRSA-N 541.611 6.049 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707267 SEJNHIACKFITSC-QFIPXVFZSA-N 553.833 6.491 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865709308 UEDMRNBFPJDJSZ-HKBQPEDESA-N 579.701 5.842 50 10 KKGE Cc1cccc(-n2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866845988 OMMZGNJEFSPGTL-HHHXNRCGSA-N 541.702 5.733 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc3nc(O)c(C(C)C)cc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867065158 IHMUBAXSTHXONN-LJAQVGFWSA-N 582.682 5.471 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4ccccc4s3)nc(Cc3ccccc3)n2)cc1 1868207055 FAZDGZKBFXHUON-XMMPIXPASA-N 520.687 7.335 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)N(CCOC)[C@H](C)C3)n2)cc1 1868528621 WYFXCPXTDYCJHC-NHCUHLMSSA-N 518.687 5.404 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872752361 YUHMROBJYRPIJR-XXCUOJNQSA-N 518.997 7.696 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872784336 LFQLHJNFBPBOMA-UDWIEESQSA-N 507.840 7.869 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)N(CC)CC 1872792068 CKQAUXWJYQPIKD-RGVLZGJSSA-N 505.596 5.249 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc(Br)sn2)c1 1899849589 NWDOMSRVWPCAAA-QGZVFWFLSA-N 518.068 6.731 50 10 KKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1912688012 UWWZLQYVUUWUDZ-IBGZPJMESA-N 542.880 6.709 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066468 PYMSSKCCOSZRSD-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593494 FKTBUVFRZPMMSY-VIFPVBQESA-N 582.775 7.591 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596905 VLCLSSXVRYNJQX-QMMMGPOBSA-N 694.644 7.887 50 10 KKGE CC(C)[C@@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782629 NZTGEGHBAWQBSK-INWYIAFRSA-N 512.305 7.309 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 2050320931 WNXPIKOKQIUUAL-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE CC[C@H](C)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[Si@]1(O[C@H](C)CC)O[Si](O[C@@H](C)CC)(O[C@@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O1 2080372303 PKVIDEYDHZFSAJ-CYVPYKRXSA-N 761.260 8.330 50 10 KKGE Cc1cc([C@@H](Br)c2cccc(Br)c2Br)c(C)cc1Br 2092331166 QXNOIEVXXRPTQX-AWEZNQCLSA-N 511.877 7.075 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2206396757 ARMQDULUKHWOQG-KCPFVSANSA-N 594.805 7.999 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)nn1C 2225617864 SAEICXOXNIKGDR-NSHDSACASA-N 519.832 5.639 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232520675 PUDKCOPCEFOAIF-JTQLQIEISA-N 573.252 7.637 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234465342 VRFJPHLDHUKQEW-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Cl)c(C)c1Br 2235617156 JKHJZTAPRHBORB-SNVBAGLBSA-N 505.863 6.353 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245974091 HZJZRWAZFVYGQC-CYBMUJFWSA-N 504.060 5.566 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)c1Br 2260511476 IFESOMWPOCJYMN-IDALBHDPSA-N 521.938 7.442 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288494569 ISBNOFKGNSCRBO-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Cc1cccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1I 2288496852 MIMNYKBIHLQXHE-LBPRGKRZSA-N 536.379 6.731 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296506838 HQTUHZFBCVRIEG-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)CC1 2296547620 NAECZGAJXQSUQN-UHFFFAOYSA-N 548.672 5.900 50 10 KKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297624341 VKYDZOZCTMPCIE-UHFFFAOYSA-N 523.923 7.718 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(Br)sc1Br 2299523962 ZFJULDFVNIDDPL-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Br)cc1 2313568297 UCMINEHXUAMKSW-UHFFFAOYSA-N 658.334 5.897 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570687 DBSMVXBZISOLFG-UHFFFAOYSA-N 566.020 6.305 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1Br 2314433091 JGCFIVUUIPOCQY-UHFFFAOYSA-N 524.378 6.023 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)Cc1ccccc1I 2314456699 YYWNLMZTRNXJPV-LJQANCHMSA-N 572.078 7.311 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@H](C)C2 2314571650 JLIBSZFNXIKHNS-KRWDZBQOSA-N 511.603 6.403 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591794 FBXCZXMPTGMQJN-XMMPIXPASA-N 538.456 6.457 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314611693 ZCEMYNBXKHVOOO-UHFFFAOYSA-N 546.602 6.258 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(Br)cc1 2314634194 YVYDBZMODPMVIP-XMMPIXPASA-N 507.771 5.939 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 2314643459 YSBGRDYMTGGXHQ-BHVANESWSA-N 618.705 7.938 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1Br 2314770536 HGMYEDORQCWRQW-UHFFFAOYSA-N 567.436 5.737 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 2331278821 KAXOOVBNRMMASV-SFHVURJKSA-N 508.441 6.289 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C(C)C 2331353928 NFZWVARKLIBZOX-TZIWHRDSSA-N 501.652 6.653 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362297 UILLJXMVIBFGHX-MRXNPFEDSA-N 510.015 5.943 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c(OC)c1 2331385433 CRSNLWICAHZEOP-CQSZACIVSA-N 511.987 5.335 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331396810 FEKQZRAEZZGBQI-UHFFFAOYSA-N 502.552 5.413 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccc(Cl)cc1 2331478748 TZTQZFOVOZUEBU-UHFFFAOYSA-N 501.051 8.041 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2scc(Br)c2Cl)c1Br 2337097694 MSCSAYNKDYFYGC-VIFPVBQESA-N 532.281 7.810 50 10 KKGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1c(Cl)cc(Br)cc1Cl 2343458347 LOFRLVJMFGCQIR-CQSZACIVSA-N 546.108 5.405 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)ccc1I 2365218071 JNFIASUPIGQJLV-LBPRGKRZSA-N 641.736 7.511 50 10 KKGE Fc1ccccc1[C@H](CBr)OCc1cc(I)ccc1Br 2367601663 LQBOTQOIOXYUFS-HNNXBMFYSA-N 513.970 5.846 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 2673079 ODUQNTPYQFHDLE-MPMLWTIJSA-N 504.634 6.811 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 15357236 PYCYCMFERVIEKM-ATVHPVEESA-N 508.372 6.441 50 10 KKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCCCCl)[C@@H]3c1ccc(OCc2ccccc2)cc1 25151275 PWEKWODAEKMLBC-WJOKGBTCSA-N 517.069 7.029 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1 33785219 QPSWQHDUJFVJRA-HIXSDJFHSA-N 520.633 6.971 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 38688723 VFDNYMQGFYEQLI-HHHXNRCGSA-N 524.573 6.203 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 39858534 OSZFSJAWQFUNGJ-JXAWBTAJSA-N 515.367 5.412 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CO[P@@](=O)(O)OCCBr 72399487 VNDADUIUBJVJTF-CYAMFBRBSA-N 626.610 8.513 50 10 KKGE in-vitro N#C/C(=C\c1cccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(C(=O)c2ccc(F)cc2)s1 83314127 POPJDPLLIRLDGF-XNTDXEJSSA-N 501.892 7.040 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)c1C 97676124 FIXXMNYSJBRYCG-HKWRFOASSA-N 522.646 7.711 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2sc3ccccc3c2Cl)c(Br)c1 100060065 NVEVCBFYXIJOHV-UHFFFAOYSA-N 540.892 5.155 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 100288202 BTVJHEKPLRUMGL-OAHLLOKOSA-N 570.322 5.628 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100336055 RBKVTFKDBMGBJV-CAOOACKPSA-N 581.193 7.158 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 100452236 DWADXXRZZVDLFV-DHCNTSDESA-N 615.149 7.061 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2cccs2)cc1 100919899 JMIMUASAIWXRDU-HMMYKYKNSA-N 572.693 6.404 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc3cc(Cl)c(Cl)cc3nc12 101106641 STSMTNREYCOFCX-MCFWBGNESA-N 554.261 5.625 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](CC)C2 101194378 MHFAQBVPKBCSLQ-VRMLFSPKSA-N 544.673 6.573 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246140 ZZVGFJZSWYLMLA-MZOFLMDJSA-N 538.456 6.375 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 101303359 XVYRWITZCOJWSQ-TURZUDJPSA-N 518.617 6.029 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Br 101338826 MLBPPAXLRITGJI-BUVRLJJBSA-N 571.475 6.235 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101340903 AQUKVDPRYVWRPG-ZVHZXABRSA-N 503.385 6.365 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 101375145 LYGPISIYFNPZSP-MUUNZHRXSA-N 533.024 6.601 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380476 TVSYZXXLRNREGR-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383801 RAOWGCKACBUTDH-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384135 NNZUCIZNMIOLKM-WFNLQYPOSA-N 552.989 6.895 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101388602 AAPXHNTYJNOUGV-QTYPKTMWSA-N 615.057 7.048 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)oc2ccccc12 101390914 DOEURUWIEQNYSZ-PMERELPUSA-N 528.564 6.758 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 101394283 NOSSWCKTZMJGBW-MHZLTWQESA-N 589.442 6.739 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)c(C)c2c1 101398127 QCWANPORVRUEAR-JGCGQSQUSA-N 556.618 7.320 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1 103641954 BFMKBYZEJOQYIM-QVWWMRLHSA-N 553.623 6.630 50 10 KKGE N#C[C@@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cc2ccccc2cc1O)c1nc2ccccc2s1 106424995 QYQHZJUZIYQAPN-WGJRRVNOSA-N 592.637 6.265 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1OC 150401755 HVWUKJPCEIQGJG-SFHVURJKSA-N 630.695 7.173 50 10 KKGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 150412580 JNVFBVHUOARHPP-ACHOBXPXSA-N 620.740 5.334 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 150481289 ODXMIKDDJAAPJP-XMMPIXPASA-N 628.937 6.817 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 150482026 LVRBOQNSVDOMEZ-HHHXNRCGSA-N 668.385 9.531 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 150497633 AXSYSZBEBZHLKR-NDZAJKAJSA-N 661.740 5.235 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O[Si](C)(C)C)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)C(F)(F)C(F)(F)C(F)(F)F 195762659 SKCZEAZINGMGHC-KOVVAJLHSA-N 540.592 7.501 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 195813591 ZATGYRPVDYINRF-WPWQOBQISA-N 660.840 5.211 50 10 KKGE biogenic CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214243596 LBBSLRZXPWGSPU-CEUNXORHSA-N 536.676 6.808 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214280059 JXYYGJUBTNHBPF-KIKHOGTISA-N 540.623 5.964 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C2=O)cc1 214391166 MXGHGXVQXUGQEO-YUMHPJSZSA-N 560.610 5.358 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 233778726 VUFPGIDPHZACCA-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE CC(=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254578385 CHIGNNBPACBVER-UHFFFAOYSA-N 555.450 5.234 50 10 KKGE CCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 254632307 UASDOGJVECUCOK-UHFFFAOYSA-N 504.627 6.667 50 10 KKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(I)cc1Br 312222069 CFRHWUDCXQBROR-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE CCOc1ccc(Cc2cc([C@]3(O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)ccc2Cl)cc1 504210200 UTFIOIDDBKLFAJ-CYEGLCQHSA-N 713.609 8.385 50 10 KKGE Cc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(C1CCCC1)C1CCCC1 642813950 HCTZIPMFFZDCPZ-UHFFFAOYSA-N 534.664 8.721 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(I)c(Br)c3)ccc2O1 721573844 SUCJFQKGTXBDNX-XXFAHNHDSA-N 507.991 5.861 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)c1 1083890460 IDLQSJNGVXAYQS-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1083962951 LTEHQMDPMQKXHE-DEOSSOPVSA-N 541.442 5.399 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1 1083999780 KDGXOCSMAOEEIA-UHFFFAOYSA-N 510.594 5.161 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084065395 XXZRTZXACKYCCT-UHFFFAOYSA-N 565.099 5.761 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084542542 HDFNFIPALHAYKR-UHFFFAOYSA-N 593.105 5.338 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Br)CCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536950 FZJXXSXLNFVUGM-VEETZKFFSA-N 563.705 10.182 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12 1772760626 ZNRWBPKJHMDYRJ-UHFFFAOYSA-N 552.508 7.578 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1848433578 MDCOYASBAZJWKP-ZNKSOTJCSA-N 935.155 9.826 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440617 MQXOEROWQSLXKD-AHFHPAJJSA-N 588.946 8.701 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865689774 WLSPOPJWPINEEP-AREMUKBSSA-N 561.469 6.921 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865692813 PMORBEDYQDOCTO-XMMPIXPASA-N 571.903 6.452 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865692835 JMZRYQRDDYPPGC-XMMPIXPASA-N 512.997 5.877 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1OC(C)C 1865696790 KNPIZGISHKYYRM-AREMUKBSSA-N 527.024 6.266 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Br)cc1 1865702903 HWNUWTLQAKHBAS-VWLOTQADSA-N 557.448 6.317 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703906 ILIRXZRENMCKRS-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712077 OYNDKESEGDGBCQ-WJOKGBTCSA-N 554.650 6.946 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)OCC(C)C)c1C 1866131683 IHBRRVZDPXSTEK-CXUHLZMHSA-N 519.417 5.354 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866215462 XWFJXPFHMNYHBE-XDJHFCHBSA-N 569.477 6.097 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccc(Cl)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866758919 XXPZKMWZKRTILF-IZLXSDGUSA-N 564.107 6.334 50 10 KKGE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868415521 XVRHVTNKSMJFRW-RUZDIDTESA-N 502.047 6.597 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(Br)c1O 1872793067 GQTJJMHAGWBCHK-XDHOZWIPSA-N 519.420 7.533 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCc1ccccc1 1872794140 LSYFGDAFOPMKDX-LPYMAVHISA-N 517.050 7.822 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1ccc(Cl)cc1Cl 1873498498 QVZULUSAHVBNPG-IBBHUPRXSA-N 522.432 6.705 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(F)cc1I 1915297240 DVIATNSZMTTWOX-GOSISDBHSA-N 504.181 5.492 50 10 KKGE Brc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924614145 WSZCOMBCYGUJNV-RXMQYKEDSA-N 653.673 8.106 50 10 KKGE Brc1ccc([C@@H](Br)c2scc(Br)c2Br)c(Br)c1 2024279619 PRTJWMMUIBBFHR-SECBINFHSA-N 568.748 7.282 50 10 KKGE CC(C)(C)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025779731 KVOHTBSVPXBBKB-MRVPVSSYSA-N 556.756 7.609 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(F)ccc2Br)C1 2085377565 DNBXLMBJWJKXHI-GOSISDBHSA-N 528.200 5.310 50 10 KKGE CCCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495004 OSHFZRBFTOEYOI-LBPRGKRZSA-N 568.767 7.753 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Cl)c(Br)cc1F 2113357233 DBRNMVRDZULCID-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE C[C@H]1O[C@@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206396842 BKZZOFQQLNDOLE-ZNNYPSHMSA-N 552.326 6.974 50 10 KKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399293 FLPMHIRULSZTLI-QUBYGPBYSA-N 618.805 5.997 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1C 2229325805 NODDWGJFVVOKMU-GFCCVEGCSA-N 535.896 7.276 50 10 KKGE Brc1cccc([C@@H](CI)OC2CCN(Cc3ccccc3)CC2)c1 2250364809 FGBZJHNMJSIFSP-HXUWFJFHSA-N 500.218 5.606 50 10 KKGE Brc1cc2sc([C@@H](Br)c3csc(Br)c3Br)cc2s1 2263560230 PITNEKPVNDOJIQ-VIFPVBQESA-N 551.970 7.796 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364039 RDYWNFYNIIAVHW-VIFPVBQESA-N 537.822 5.779 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198289 QNNVGRVICDDQTK-QFIPXVFZSA-N 556.844 6.307 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(Br)c2)c1 2294953991 XLCMCGLGYXOXCW-UHFFFAOYSA-N 502.368 5.844 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 2296544426 CFWQBGRHNCWOSP-UHFFFAOYSA-N 536.407 5.205 50 10 KKGE Cl[C@@H](c1ccccc1I)c1cc(Br)ccc1OCc1ccccc1 2299494599 IOCVHIHHGSNMKC-FQEVSTJZSA-N 513.600 6.961 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(Br)sc1Br 2299523963 ZFJULDFVNIDDPL-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2ccc(Cl)c(I)c2)s1 2300996874 APGZPLAMZNNZJG-JTQLQIEISA-N 529.395 6.592 50 10 KKGE ClC[C@@H](I)[C@@H](CCl)OCc1ccc(Cl)cc1I 2301827144 ZBRWMYXWJLPUJT-GHMZBOCLSA-N 519.375 5.111 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc2ccccc12 2313567677 MFISHXFTHUQOKL-UHFFFAOYSA-N 582.498 6.446 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c1 2314533293 PZYDOXITRVUPPJ-UHFFFAOYSA-N 501.340 5.103 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592556 XJRIFEJKBCVVHV-VWLOTQADSA-N 550.511 7.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634814 PAENIRUTMTYOIA-WJOKGBTCSA-N 593.507 7.798 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1C(C)C 2331464284 UXNHTTQIAPEPSH-UHFFFAOYSA-N 515.078 8.547 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCCN1CCOCC1 2331488588 HHRLUOHMGRPJOY-UHFFFAOYSA-N 516.450 5.901 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccccc1I 2339680858 BLRXPJMBPIYXIR-ZDUSSCGKSA-N 518.389 6.592 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Cl)cc2I)c(Br)c1Cl 2365595977 PQOMPWSWIXJIHW-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2751855 FUUONQWXFLFCBI-MVAKIDQKSA-N 553.460 6.763 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1CN1CCCc2ccccc21 3064466 ANYDUDWALIFDMS-FDAWAROLSA-N 526.464 6.264 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 34988464 GDSUJZWLJWMYAL-GFMRDNFCSA-N 515.617 7.211 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(Cl)cc1Cl 38655213 OSWUXCYOSOTMQR-HSZRJFAPSA-N 512.305 5.104 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 38660405 SFXKNKCAMJSMCN-MHZLTWQESA-N 518.997 6.211 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)C(c1ccccc1)c1ccccc1 40925573 ITKFLRMRSDYONF-XIEYBQDHSA-N 506.558 5.639 50 10 KKGE Cc1ccc(COc2ccc(/C=C/C(=O)Oc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3)cc2)cc1 40935818 AKQOEYFSYQNJTG-UUELZVTLSA-N 518.569 6.009 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59167596 WGWOIJWHDDTSRJ-KCSSXMTESA-N 515.057 6.057 50 10 KKGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 59303586 UFAYBBLPTGBGOD-PGGKNCGUSA-N 514.159 5.208 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 59460580 HZFBUAUIOSIODE-ZXPTYKNPSA-N 507.575 6.065 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1CSc1nc2ccccc2o1 100185741 GPRBEHVXPGKPGY-MNBJERMJSA-N 536.613 6.145 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 100229584 PPORXXBNECVKFD-UHFFFAOYSA-N 551.224 5.157 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 100453092 KXUVLRRVDMHTIV-MGCJZSHXSA-N 583.253 6.141 50 10 KKGE Cc1nc(SCC(=O)NNC(=O)c2csc3c2CCCC3)sc1Cc1cc(Cl)ccc1Cl 101229600 UUVYEBPVIKLKOQ-UHFFFAOYSA-N 526.536 5.843 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243929 FEDFXTFTRDBDQJ-UPCZGDIASA-N 525.674 6.006 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101338838 CERAEORHBVBMEX-BUVRLJJBSA-N 537.576 5.381 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369214 VBXUADWTBHCTIL-MHZLTWQESA-N 539.385 6.679 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101372455 MKGXKUYMUMYCDY-NDEPHWFRSA-N 578.021 6.653 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374101 OFOKQCDDPYNDSW-UKPGIYTDSA-N 556.659 6.418 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381176 SVLKYGUTCRWPCP-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1F 101386734 ZPHXSFNIUFTNAI-JGCGQSQUSA-N 580.612 6.233 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388146 MFJYOYLOWAFSFO-FFCRAILESA-N 613.497 7.808 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1F 101388806 OQAWJXWQZICNIF-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101389517 RYSZUOFAQGGCKL-CGKQSPDFSA-N 598.602 6.534 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101395329 XPDJZSORBWDWMQ-NDEPHWFRSA-N 589.113 7.878 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101395637 MDQXBQDUOSBRJP-SSEXGKCCSA-N 566.610 6.198 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398493 ICBFHMXPZSBHEN-KYJUHHDHSA-N 566.997 5.883 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101399033 VJBJDTCAERQHEX-SSEXGKCCSA-N 617.485 7.335 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603695 AVBMQVZMBHBYAL-PPOKSSTKSA-N 582.871 8.063 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)C(c3ccccc3)c3ccccc3)CCC4)c2n1 101610279 MHGCWEVNCBGEBO-LZBRRTOVSA-N 543.623 6.653 50 10 KKGE Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4cccc(Br)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066386 LYPKXCUOVIUPKT-QHCPKHFHSA-N 534.435 5.284 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c12 103137051 RCQNNTZFQJYGIE-LJAQVGFWSA-N 569.084 5.873 50 10 KKGE Cc1ccc(Cl)c2c1NC(=O)/C2=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103738756 GSFHTANTPJEWOX-UHFFFAOYSA-N 532.063 6.480 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1F 103880065 YVIDJWHSBIAUAC-VFLNYLIXSA-N 590.243 6.839 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 150353201 CJZGYOKJRSBBRC-UHFFFAOYSA-N 712.480 5.120 50 10 KKGE O=C([C@@H](Br)CCCCNCc1ccccc1)N1CCOCCOCCN(C(=O)[C@@H](Br)CCCCNCc2ccccc2)CCOCCOCC1 150398634 GXYXKDCEJYRVOK-ZPGRZCPFSA-N 826.712 5.171 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 150422155 WPNPQFWYFRZHCK-UHFFFAOYSA-N 663.432 5.845 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1Cl 150442052 DWHMCJRLJDGPJK-PMERELPUSA-N 631.910 7.518 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1Cl 150464125 RDUHEZRHRGPIMD-VWLOTQADSA-N 741.238 9.397 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150469557 XECVUICAGKJNRG-SFHVURJKSA-N 616.737 7.878 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485403 RZNZQPGUFRNTGF-OKXSDPAFSA-N 635.475 7.311 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 150653816 BXXLNFMFHNMGSB-QWKCNVQFSA-N 656.527 6.492 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1 163808331 ILTLQXFGWPSNMZ-KKMKTNMSSA-N 640.190 6.124 50 10 KKGE COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O[Si](C)(C)C 195753512 LYEQLVCCHOHXEJ-NEHZTFDLSA-N 564.956 7.464 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(Br)nc4c(OCc5ccccc5)nc(N)nc43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195908438 JDXBCEWMDJONPM-KMDXXIMOSA-N 678.777 6.994 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@H]1[C@H](O[C@H]2CCCCO2)CC(=O)[C@@H]1CCCCCCC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 205145880 DXVSMWCKXOCOJF-XKNIZYNJSA-N 680.990 10.184 50 10 KKGE in-vitro N#C/C(=C\c1ccc(OC(=O)/C=C\c2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 210606591 VDXRUHUWIKTVDM-IWXIFQLRSA-N 502.551 6.599 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 214225471 LLJMIPMJLJNSAL-ANYBSYGZSA-N 536.676 6.891 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1 254382172 WSTRFSQJQVBWJZ-UHFFFAOYSA-N 558.634 7.109 50 10 KKGE C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1 254841262 OEJRLCVFRKJJEF-ZRZAMGCNSA-N 522.649 5.778 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 383614535 YYDFEIZQILHXEZ-VIFPVBQESA-N 557.849 7.539 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1Cc2ccccc2N(CCO[Si](C)(C)C(C)(C)C)C1 616672171 KAEBHIGIOQDABL-HHHXNRCGSA-N 525.926 8.419 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@H](Br)c1cc(Br)c(Br)s1 712582373 SRLSCAPQCZVZCF-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C 1083817720 YXADDVIQROVGOJ-YSFPZDHXSA-N 630.892 6.196 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cc(Cl)cc(Cl)c1 1083999843 IRWKPGLFTMEZMZ-UHFFFAOYSA-N 520.485 7.354 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)N1CCN(c2ccccc2)CC1 1084044298 BVRVDNBFKIIXGM-SFQUDFHCSA-N 541.789 5.526 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 1084130616 WHXCGPSNMFAWJZ-UHFFFAOYSA-N 518.400 6.589 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)cc(I)c2O)cc1 1084262573 ZENNSBKACUVYNZ-UHFFFAOYSA-N 555.803 6.180 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc([N+](=O)[O-])c1 1084481992 KPFAZYXKCMTXNV-UHFFFAOYSA-N 569.580 5.513 50 10 KKGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N 1084633202 FXFNBBXZPOKDLL-UHFFFAOYSA-N 622.303 5.594 50 10 KKGE CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN=c1cc(-c2ccc(OC)cc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 1565518355 BIXWNJRABNGOMN-AREMUKBSSA-N 575.706 6.372 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Cl)CCCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538110 UYCWFCMOPJKMKJ-DXYULBDDSA-N 533.281 10.416 50 10 KKGE COc1cc(/C=C(/C#N)c2ccccc2)ccc1OC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 1772753076 DJQQKYCOJMWPGV-LGQAEWNWSA-N 541.239 6.564 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682598 SENXBNJRLTUBPP-GDLZYMKVSA-N 512.613 6.595 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865686239 SRQKIRKSJOPWNC-OAHLLOKOSA-N 534.152 6.782 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OCC 1865686875 DEDSAPZLIVLNCE-SANMLTNESA-N 502.615 5.629 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688864 CUMVYSMMOKKGHJ-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865690146 JQRVBWXXUSXUNR-HHHXNRCGSA-N 508.597 6.525 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OCC 1865691163 LGZYNFPHMYXFCM-SANMLTNESA-N 521.061 6.664 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865691778 ATQHPAZHIQIUEH-JOCHJYFZSA-N 557.876 5.925 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693340 NEQKYWLIUWPTBY-MHZLTWQESA-N 511.025 6.253 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704273 RODRBPMMQRGLPJ-SSEXGKCCSA-N 530.603 6.583 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705557 ZADCTXCSWBGBTH-SSEXGKCCSA-N 568.633 6.353 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705979 LBOAIRMLKIFZMD-VWLOTQADSA-N 519.948 6.472 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865708706 DCLDKUZFSAZDPZ-HSZRJFAPSA-N 557.404 5.315 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709029 LXXUYTHWDNAJMD-QHCPKHFHSA-N 530.943 5.316 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712296 VCEWMBUXTQSOBV-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)Cc2csc(COc3ccccc3)n2)c2ccccc2)cc1 1866590664 DRSHDCNZOCHQHJ-SANMLTNESA-N 514.632 5.334 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867220451 OUGMFOZGPRFDOG-WUFINQPMSA-N 550.124 7.148 50 10 KKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1 1868300627 GDYOXDUXEBVTIQ-UHFFFAOYSA-N 500.631 7.320 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@H](c4ccccc4)Cc4ccccc43)nc(-c3ccc(F)cc3)n2)cc1 1868456245 LTZZDTRLKJQTKB-RUZDIDTESA-N 529.644 8.077 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1872755940 MSSHKSWKEHPMIO-DAFNUICNSA-N 504.612 6.111 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)cc1OC 1873794751 YUCIYOOMKBHOEW-JGPZAZFSSA-N 505.700 6.214 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915204470 PJLYBWFCWJZHCE-GOSISDBHSA-N 518.620 5.714 50 10 KKGE CCOC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924589784 FBMRFDRMHLRYMM-RRQHEKLDSA-N 525.926 6.677 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595473 ZPOSQLKSEUKQKY-ZETCQYMHSA-N 586.738 7.422 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1924614580 PLUFDBJZSANFJX-OYXISAAISA-N 521.894 5.895 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cccc(Br)c1Br 1943903242 MWJXSBFNHNIBFI-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cccc(C)c2I)s1 2029233895 YOYAFHLNNLDRBK-GFCCVEGCSA-N 500.037 6.470 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1ccc(Br)cc1Br 2083338976 OXVHTQARRAHCGK-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE Cl[C@H](c1csc(I)c1)c1c(Br)c(Br)cc(Br)c1Br 2085496471 QZVNKQVEGYXGBI-LLVKDONJSA-N 650.193 7.731 50 10 KKGE CN(C[C@H](Br)C1CCCCC1)c1ncc(I)cc1Br 2133374800 YQYWQYLHPPNJLB-ZDUSSCGKSA-N 502.032 5.229 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2ccc(Br)cc2Br)c1 2138861385 DQOMWVOOSWHUNB-CYBMUJFWSA-N 515.840 6.906 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(Br)c2Br)c1Br 2138870872 KVEICJTZRGCFBD-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141470447 HDFHNJZBKQJTGP-NSHDSACASA-N 641.615 7.983 50 10 KKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470509 HTYUVXQKSBZTNP-RDDDGLTNSA-N 584.810 8.245 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2160066821 NUKVGUFRQSZPML-IBGZPJMESA-N 559.335 7.223 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Cl)C[C@H]2Oc1c(I)cc(Cl)cc1I 2173619187 OKHUVIYDKSJQMJ-AXTGTSHSSA-N 537.006 6.114 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)nn(C)c2C)c1Br 2201072085 HZNHQHJCLZRHNJ-ZDUSSCGKSA-N 529.896 6.117 50 10 KKGE CCCN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2216423026 ZTFDRYXBZNIORD-RQJHMYQMSA-N 510.915 5.608 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1I 2225615137 DCXXHGMDBUSUTE-CQSZACIVSA-N 518.389 6.592 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232512053 MQMNSEVESADVJA-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(I)cc1 2272854136 NWGHOCBOEZHERK-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295945947 ZNQQBAJYWMWXRJ-UHFFFAOYSA-N 578.488 7.393 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc2c1CCCC2 2296048071 WYNNBLWIRDSUJG-UHFFFAOYSA-N 517.720 7.951 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 2296684255 RCVWXLHVKCSNAH-UHFFFAOYSA-N 516.619 5.937 50 10 KKGE O=C(Nc1ccc(Cl)cc1)C(NC(=O)c1ccccc1)=C(Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297515824 AQHZPYVNDFQGTM-UHFFFAOYSA-O 596.474 7.111 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 2313521484 RLBYNMPTKZVENQ-UHFFFAOYSA-N 501.751 6.596 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2314532949 OGHKPPDKRBQHID-UHFFFAOYSA-N 546.197 6.646 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616945 NLXAKOADUWFGRF-UHFFFAOYSA-N 685.180 7.624 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314617193 SLBUXSIVQLITTF-UHFFFAOYSA-N 570.693 6.862 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314617315 VVHDFQDUGXIBRG-UHFFFAOYSA-N 520.633 6.170 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC 2314728696 KNZRNFXJZQXDNV-UHFFFAOYSA-N 504.627 6.689 50 10 KKGE COc1ccc(CCN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C)cc5)cs4)cc3C2=O)cc1 2331312462 YVOYXAWXJRBIMA-UHFFFAOYSA-N 521.598 5.916 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)c(OC)cc1Cl 2331377334 LNNDTQNFKPFKTA-UHFFFAOYSA-N 502.206 7.391 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405346 IMKHKSWFAXUCDZ-UHFFFAOYSA-N 500.234 8.076 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331474478 KZTOCMAAYKOAKT-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)ccc1OCc1ccccc1 2331480503 YGJBYWHDIJMRHZ-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334327261 LHSKWPQARKMHTO-ZWADGADFSA-N 580.778 7.609 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]12 2357089262 JLECTUCXECHNFX-DMUMMCEESA-N 513.701 6.818 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCOCC2)cc1I 2362431266 FDZNKRQPCBMZJD-UHFFFAOYSA-N 536.473 5.690 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1Br 2365216271 SHZGTNVFBFGSEU-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE Brc1cc(C[C@H]2CCc3ccccc3[C@H]2Br)ccc1I 2377250870 BHTGQXCQTVBXME-DYVFJYSZSA-N 506.019 6.295 50 10 KKGE Brc1cc(CC[C@H](Br)CN2CCCCCC2)ccc1I 2377315125 NTTJPQXZQDMLAL-AWEZNQCLSA-N 515.071 5.626 50 10 KKGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)c2)cc1 3284476 YAAUILPICRTSRH-UHFFFAOYSA-N 551.628 5.113 50 10 KKGE O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20495146 QYZNZMHRNRSVKI-KBVAKVRCSA-N 518.400 6.589 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 33374700 FRCDIGOKRDVBED-LYBHJNIJSA-N 518.053 7.865 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 33757423 APDBNANOAYXJFC-ATVHPVEESA-N 505.361 5.956 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 38603731 FOFOGLPGPSBPBP-CIAFOILYSA-N 513.421 6.363 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccccc1Br 38678686 UKSOGFMWZIIUNE-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)c1 38679348 RSMNMGGLHSEHDO-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 40823205 HEYUMQZWXXHQBC-XAZZYMPDSA-N 507.406 5.447 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 97966589 JIXMRXUJMGLENG-RYEBZEHMSA-N 596.845 8.380 50 10 KKGE O=[N+]([O-])c1cccc([P@@](=O)(C2=C[C@@]([N+](=O)[O-])(C(F)(F)F)CC(C(F)(F)F)=C2)c2ccccc2)c1 100044015 SOKYBVCKWVZSJD-STQSFFJQSA-N 506.295 5.263 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(Br)c1 100288081 YEJAYCRDISFUSI-SFHVURJKSA-N 538.442 5.363 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101246551 NXRGXDOHXGFVIJ-JVNMJCOASA-N 566.510 7.190 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337625 QLEYRGYVMRMZIT-ZAVGGQCXSA-N 560.629 6.821 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 101372444 FCHCBKUHDRAFHG-MUUNZHRXSA-N 543.576 6.000 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCC(C)C 101374419 UEEHTCMKGDMFTN-QFIPXVFZSA-N 590.501 5.628 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379438 QTDUQXDLXRDYGY-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384625 BOSMGZJBTYAEOG-PMERELPUSA-N 607.877 7.428 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385947 ALWGNSSQHDWEJQ-PSXMRANNSA-N 629.112 7.883 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1Cl 101391333 APLUYJZEFZPXOC-QHCPKHFHSA-N 574.258 6.982 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101394266 YJPFPCRFUOXHMK-LJAQVGFWSA-N 538.600 6.593 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1Cl 101394939 USOIJDKMHZKPAW-DEOSSOPVSA-N 541.456 6.941 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612102 LGMCNCZOLPKSHC-IWBSIUBASA-N 577.468 6.614 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1OC 101619613 YASQJHSZCFTATE-JGRMKTMXSA-N 557.647 5.340 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC(C)C 101727524 AHKPLFKJAFKIDA-KBKYJPHKSA-N 568.946 6.654 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccc(Cl)cc1 102932790 SGDAAKYSBHXTCZ-PXNMLYILSA-N 558.772 5.850 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 103726660 KCXUHMWFJWDBDM-MZJWZYIUSA-N 546.259 5.772 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 103879401 ZVVLOOKLSALRRL-SEBMTOOBSA-N 622.563 8.265 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566493 CUHQXYNRZLCICQ-ZXPTYKNPSA-N 552.572 5.973 50 10 KKGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 150412610 PCHBCDVASSUIOJ-NMEBLIJDSA-N 616.708 5.300 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1 150417687 BLXKAQIVRKAJHJ-AABVJFSESA-N 662.394 7.813 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 150462683 UDBZBAMGAUOWEX-JGFAXXQYSA-N 632.742 5.553 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c1 159841883 XHTJHXJZCDLAHN-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@H](NC(=O)COc2ccccc2)[C@@H]1SSc1nc2ccccc2s1 161690871 XIWJNWWOPFNDHF-HHMOXRITSA-N 681.861 7.046 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CI 169900351 HISNRFHCHAMNRT-JMMKEDKOSA-N 554.673 9.257 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205777586 YNGHWILXGVZJSA-LUJVFJMUSA-N 634.783 5.958 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C1=O 214241777 WBPYBZNOHHYZNU-ANYBSYGZSA-N 552.744 7.604 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214377642 SZQBMJLNKBNDFV-YKQZZPSBSA-N 556.666 6.736 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(F)c3)C2=O)cc1 214400012 PKQITWCXOMPIFZ-PKAZHMFMSA-N 562.601 5.531 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2I)sc1Br 236031208 FVPGVEXJVTYGLI-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)ccc2I)cc1Br 236044266 WTDRGNPMURTHGU-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252600286 DQKIWHBJTGIGDX-UHFFFAOYSA-N 609.535 6.366 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC)cc1 252620563 MGWRSCACCTZQIH-QQLGECFYSA-N 628.365 5.988 50 10 KKGE O=C(NN=C[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@]2(F)Cl)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@](F)(Cl)[C@]4(F)Cl)cc2)cc1 252630225 UXJICYMVFNDWNU-PXHFIKGESA-N 708.367 7.841 50 10 KKGE Cc1ccccc1C[C@@H](C(=O)NN=Cc1cc(Br)c(O)c(Br)c1)c1ccccc1 254297974 ZSBCXFUZAPQSQY-LJQANCHMSA-N 516.233 5.702 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOc1ccc(C(C)(C)C)cc1 254479596 ZTARABRPHXCWHP-UHFFFAOYSA-N 615.756 5.946 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254703275 RXXVPYQAUQJVOS-UHFFFAOYSA-N 635.790 7.070 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)nnc2-c2ccccc2)cc1 254706379 RPVXAZCYZLSRML-UHFFFAOYSA-N 593.709 6.163 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 256028626 YXUQOMYRGNSSRJ-UHFFFAOYSA-N 513.019 5.819 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)ccc2I)c1Br 312467742 BNLOVKJWJKRABV-VIFPVBQESA-N 604.849 7.381 50 10 KKGE COc1ccc([C@@H](Br)c2sccc2I)c(OC)c1Br 382501526 LEZLKZDNDHUNPE-SNVBAGLBSA-N 518.008 5.617 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Br)ccc1Br 692784444 MFQRHQBITQVHQF-ZDUSSCGKSA-N 515.840 6.792 50 10 KKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 1083902867 RCKXHIZBKACPDC-HDICACEKSA-N 559.544 6.255 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CCCSc1ccccn1 1083955317 HPHSHYJMAMDGQI-UHFFFAOYSA-N 558.796 7.070 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OC 1084003229 JLWKCAZSZLHXBD-UHFFFAOYSA-N 565.411 5.838 50 10 KKGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 1084051733 GVAXLRMUIKIOAW-UHFFFAOYSA-N 596.751 5.781 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 1084091270 CUQNHZYCFAURIA-VWLOTQADSA-N 529.008 5.819 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084128546 RLHRHWMEAOGZCV-UHFFFAOYSA-N 531.834 6.243 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084194438 AOMACSJAHTXTBJ-XMMPIXPASA-N 728.321 5.536 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084366062 FVDLDCYMZNTJJG-BOPFTXTBSA-N 512.747 6.135 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Br)c1 1084392401 GXRQNLBLNBEZBC-UHFFFAOYSA-N 548.510 5.838 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084527109 LRNXEOBVCSJPEX-HHHXNRCGSA-N 541.475 6.664 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CCCNc1ccc(Cl)cc1 1084572872 RRYFJPOXCYBZOE-UHFFFAOYSA-N 575.201 7.648 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1772754739 RXGSYUOMHVYACD-UHFFFAOYSA-N 522.645 6.438 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccccc1 1865687023 HNVRNYNXCZROKD-QHCPKHFHSA-N 518.495 5.697 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865691233 NKSUKQTXVGAHTH-VWLOTQADSA-N 551.485 6.438 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692049 HYKDPBZKDMYBPG-VWLOTQADSA-N 528.996 5.496 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OC 1865697685 ZHXMFJREKGLEEP-XMMPIXPASA-N 537.458 5.993 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865702852 GRASBUQGMWDACW-AREMUKBSSA-N 510.569 5.753 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704027 LCCDXGCJYAUMRE-SANMLTNESA-N 535.406 6.483 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1OCc1cccc(C)c1 1865704891 HCJNQQSAGVFXIY-LJAQVGFWSA-N 575.068 7.307 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707016 LVGDGNRFPLBCJH-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707068 MXEURVCWNJSDTO-MUUNZHRXSA-N 524.068 6.392 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711638 DGLQAENPHLKBNK-AREMUKBSSA-N 577.012 5.643 50 10 KKGE CC[C@@H](C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958120 XTUWYCJYDLGJFE-FTJBHMTQSA-N 536.053 5.698 50 10 KKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134472 OENAELDPDHYYOH-LOSJGSFVSA-N 568.562 6.421 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868301778 XULKJLIRKSXWOV-GDLZYMKVSA-N 545.672 5.938 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342145 LQDQXTMZNPRMJJ-LJAQVGFWSA-N 521.690 7.252 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c1 1872754620 BEMADAATWJIKSY-FXBPSFAMSA-N 518.376 6.162 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 1872759699 WPGCMYYEOWWMEW-VZCXRCSSSA-N 507.612 5.356 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 1873941016 RWRKRHAMHBSFHU-RFBIWTDZSA-N 517.541 6.853 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(I)c2)c1Br 1922933592 XOJYBRQGBGSZAF-JTQLQIEISA-N 506.428 6.514 50 10 KKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605728 WFQMKBDXNIXPLT-WCBMZHEXSA-N 525.970 7.934 50 10 KKGE CO[C@H](CCCC[C@H]1CCSS1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952232080 WZCWLBNSKUQGHD-VWMXVWASSA-N 501.670 5.707 50 10 KKGE Brc1ccc([C@H](Br)c2sccc2Br)c(I)c1 1995286119 OWDIMIGWKSUGAS-JTQLQIEISA-N 536.852 6.362 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012758 OGHUVJCTSYYAOG-HWYWPCLFSA-N 672.671 11.271 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048972099 XHIACRSMZCVSSQ-XVKPBYJWSA-N 531.880 7.297 50 10 KKGE CC[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141473472 PGXQLWNLMJHELM-GHMZBOCLSA-N 590.720 7.608 50 10 KKGE CC1CCC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141477696 STPUMHLVPYAEIL-HLCFFCTHSA-N 538.343 7.843 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CCCC[C@H]21 2206393798 BGCHDCXKEHZNNG-ZTCJXIRTSA-N 550.354 7.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC3(CCOC3)C2)c1Br 2206401035 UXNZHGGZKUARAJ-MIJJTYSQSA-N 596.777 6.989 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224306509 DLOLOIIGAXRBBN-MRVPVSSYSA-N 512.254 6.390 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)c(C)c1Cl 2237633204 ISWDXXDTHOHYOL-CYBMUJFWSA-N 501.509 7.644 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Br)sc1Br 2247987858 NLXJYLLMAZEUHG-JTQLQIEISA-N 554.842 6.501 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Cl)cc1I 2257364771 LLOSNAPZIOBKHF-SNVBAGLBSA-N 522.427 6.262 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1cccc(I)c1 2294168453 LQYYQUPYJYVHBR-UHFFFAOYSA-N 517.370 6.398 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 2295483031 SQSUDBMJRBGKJY-UHFFFAOYSA-N 594.643 5.431 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1Cl 2296544433 DHKQCVMDUAVTFZ-UHFFFAOYSA-N 556.825 5.550 50 10 KKGE COc1ccc(Br)cc1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 2296731314 MWFKCUSGEQCAJM-UHFFFAOYSA-N 506.381 6.491 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2cccc(Br)c2)[C@H]1c1cccc(Br)c1 2297325006 SLCXWSRZDIKMAU-MHZLTWQESA-N 589.331 6.873 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458593 IJJTXKWEZWLESD-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2309459454 NOQKEDSUQUOXSB-PFFCINGUSA-N 529.864 6.763 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 2313511155 QVFGVIMSPRFSFJ-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 2313518897 YMWJMZJIJNRWIG-UHFFFAOYSA-N 569.355 5.723 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2314482708 SKOWQRIEFJSZQO-UHFFFAOYSA-N 620.734 8.657 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489236 QYXSQTJKXQAFSE-UHFFFAOYSA-N 541.415 8.701 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314499538 DINMNQKYOQVJHO-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593003 FPPAUWPZTHSWCL-VWLOTQADSA-N 586.035 6.500 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c2ccccc12 2331406526 WFAOLDLUINHOFV-UHFFFAOYSA-N 505.039 7.894 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c1C 2331468503 SITFBDCAKGVAQF-UHFFFAOYSA-N 500.667 8.840 50 10 KKGE COCC(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]1CC[C@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)C=C(C)C=O)[C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@@H](OC)C2)O1)OC 2333231311 IWYZQBWTMLODNQ-SSJCSXRNSA-N 958.240 6.653 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)cc1I 2365177103 WOPXWUMQYWIMMW-CQSZACIVSA-N 532.416 6.900 50 10 KKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3088383 QZRQKYHBRYJWDZ-GTBNVNCYSA-N 579.227 5.892 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 33779573 LKCILQMNBUCHRY-QPSWJSTDSA-N 508.430 5.736 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38659659 JFOILOOSQAGEGD-XBBWARJSSA-N 528.605 5.808 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684824 ZCOXMSFWTWFCAD-WJOKGBTCSA-N 526.633 6.582 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686737 AEUOERATAZLOLL-PMERELPUSA-N 522.988 6.285 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1OC 38688627 ULBGRVDBYSATTN-QFIPXVFZSA-N 518.978 6.009 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 40813137 FJBGCJJKRBONIS-KBVAKVRCSA-N 519.907 5.992 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813581 SWJQXSRFXFPVGS-MHTZHOPKSA-N 509.606 6.643 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 58889493 OCRMXJCVCDQHRW-HWSJQMDSSA-N 501.366 5.265 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 58891428 YAKODMWQOBDYJP-PVEGLGLCSA-N 511.962 5.190 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100176159 AVKALHMXHUKQMD-LJQANCHMSA-N 566.496 5.844 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]2Br 100848636 IKIZELHZIAZMBG-RLCCDNCMSA-N 548.035 6.330 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@H](C)C2 101193792 PZYAQWSGYCGJQF-HUCUOGIVSA-N 546.048 7.057 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243935 FEDFXTFTRDBDQJ-CIKMBSSHSA-N 525.674 6.006 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101295937 CJCBTFJOORHNFE-HSZRJFAPSA-N 583.880 7.864 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 101334332 PLVAUXHPHMDPNJ-UEIZDATPSA-N 515.013 5.982 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101339849 LABILJDIJXNUBW-FSJBWODESA-N 540.547 5.325 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 101340361 FPGHOLCPZJQVJM-CVKSISIWSA-N 547.438 6.416 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362526 FISRPLYRGQCZJZ-YTTGMZPUSA-N 546.623 6.738 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 101375518 DMYRPBJCQHFEPH-MGBGTMOVSA-N 570.686 6.864 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379532 ZFODOLCLUGLGCR-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380978 VLUFRDPVEPFBRC-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381057 HVGKMYPCFJSLFU-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381510 NGKTZQJJDHNDCC-SSEXGKCCSA-N 549.539 5.376 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385365 HDHNRWWCWFIMQM-XFSFLGPDSA-N 580.612 6.313 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389806 NBJRFOYKKXWMTM-JGCGQSQUSA-N 617.485 7.174 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101390878 SOLBYHLQHNQPKL-MUUNZHRXSA-N 599.495 8.224 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)oc2cc(Br)ccc12 101391081 QYVGAUBODNOQON-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398099 AZMRHRYRFPBXDH-MUUNZHRXSA-N 573.432 7.018 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H]5COc6ccccc6O5)ccc43)c2)cc1 101398206 VRLFMNMCZKGGBS-IOWSJCHKSA-N 546.579 5.538 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c3ccccc32)cc1 101516556 FBYSVEHAGVXGKD-JXAWBTAJSA-N 520.408 5.495 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)ccc1Cl 101612488 MOOHPKQSSIDVIE-VUTHCHCSSA-N 535.811 6.311 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 103608813 LWPOUXMFWLUFSS-FABQOPTDSA-N 612.111 6.997 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)O 103879865 HFLAJMSNUSCSAQ-OKCVXOCRSA-N 562.420 5.451 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 103880451 NTAKJBNNLDIXQU-JFLMPSFJSA-N 519.355 5.593 50 10 KKGE CCCCCCC[C@@H](Cl)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920729 KCEQSXCXMOAMQF-OVJJTUMPSA-N 561.335 10.908 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 150428473 JQTSWGJRKGZDBE-BIRDKGHYSA-N 659.202 7.460 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150462690 FVVFWHBITAMEQO-OMYMPRPNSA-N 660.796 6.415 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 150463868 DRYPAQAXFDPCLX-QSRSGOJESA-N 666.731 5.392 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 150497864 VNPWIHNLWHBTTK-UZWMFBFFSA-N 651.119 5.944 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 205668854 QJKUURCXXCBWLT-KZCWDXHSSA-N 578.596 6.259 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 206734093 XUTOOMKBBKPFTK-JCMHNJIXSA-N 516.594 5.492 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214366179 GALOBLVRWMYNKP-MIXAMLLLSA-N 534.660 6.560 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Cl)c1cc(Br)sc1Br 229517742 KVXBZVBAIMMFON-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Cc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)cc1F 235923623 YOPNSJVAHKVJNG-CQSZACIVSA-N 501.934 6.125 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254566532 JMKPTIDAGXGWHO-YJXQJYILSA-N 560.639 5.191 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)NN=C1C(=NNC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)[C@H](c2ccc3c(c2)OCO3)Oc2ccccc21 254571537 ZOQBCBNXMMZEIH-DYVQZXGMSA-N 829.011 9.173 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1 254823031 JFILFLDUUYBGPP-UHFFFAOYSA-N 508.574 5.956 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)CI)CC[C@@]34C)[C@@H]12 254873699 DSPKLFAHUQYUBD-OXIYIZRGSA-N 596.678 9.091 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c1I 398746106 UTOIAWMUXNRAAJ-NSHDSACASA-N 519.924 6.264 50 10 KKGE C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OCOC)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F 725238049 CFUPHMCMJQFWEG-BTIZLQNCSA-N 917.279 12.198 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1F 725384212 WLLHULSTMPTMPR-UHFFFAOYSA-N 603.459 5.205 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1 1083953785 SPXBTNJCMQJZPR-UHFFFAOYSA-N 705.596 8.952 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1 1084054296 QOWUTDUHOLVJQF-JOCHJYFZSA-N 674.704 6.092 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc2ccccc12 1084065346 RHRPWTUZHRUHBR-UHFFFAOYSA-N 502.343 5.422 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(F)cc1 1084107965 YMKKWOGTPQOOFA-KGENOOAVSA-N 525.407 7.384 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084242558 BOVDTMXZUTZYGY-FYJGNVAPSA-N 556.877 6.490 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084404689 APJBIVFCSHJMRU-UHFFFAOYSA-N 688.541 7.559 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084408827 QVYIPGVWCGQEKO-VWLOTQADSA-N 507.428 5.721 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084620943 JMJPXJWDWRNIRK-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747491 IMCLYSVAOORERT-UHFFFAOYSA-N 558.978 6.665 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1Cl 1772752048 SOQRSINQMAXADL-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Br)c1 1865683830 IZJWRISVFUSJLK-HNNXBMFYSA-N 530.131 6.179 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 1865685640 LHZCKMDGVSOPAI-HSZRJFAPSA-N 501.417 6.740 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688435 RYBRMRRIBLOOQQ-NDEPHWFRSA-N 559.041 6.135 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc(Br)c1O 1865688581 VPVNEVCNNFPCEL-OAQYLSRUSA-N 539.430 5.300 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688628 XIROJOVMESSFEZ-HHHXNRCGSA-N 571.475 6.045 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865691641 XEBWAMLWUNGKQI-OAQYLSRUSA-N 517.468 5.804 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694622 XZADKLOVQJQGPF-SFHVURJKSA-N 509.315 5.874 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695162 LNVPSSXSGCPNLD-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865695795 TZEUMKPRDHEGKB-XMMPIXPASA-N 532.522 6.005 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OC 1865697507 UXDGGXOZOAMEBY-WJOKGBTCSA-N 572.665 7.107 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865702875 HHYOXRQCKPXWTO-VWLOTQADSA-N 512.997 6.208 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703166 OUXHLUIPUKWBIE-HHHXNRCGSA-N 541.051 6.665 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703428 VQEXQTXAVNTSOI-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704107 NJGNELAEIQIQKN-MHZLTWQESA-N 552.556 6.901 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c(OC)c1 1865707589 AGKQPQSPLORNQV-MHZLTWQESA-N 500.558 5.928 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711874 KBKDMRNOBQVRCP-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215176 GEUOUHGIEFNIDQ-XMHGGMMESA-N 521.551 5.071 50 10 KKGE CCCC[C@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931358 GKEZSMQBIJLLAY-NDEPHWFRSA-N 538.673 6.427 50 10 KKGE C[C@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C1 1868544673 IWGASHGQIBBMOQ-NRFANRHFSA-N 505.691 8.088 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752195 QXIBMSWINRTXIM-JRURIKFDSA-N 511.628 6.174 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1OC(C)C 1872792344 SRRRBRIJEHUDBC-YBFXNURJSA-N 505.437 7.586 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1OCCC 1872817980 GQFMEYSBSOHASZ-LNVKXUELSA-N 517.607 5.867 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924585770 PUPIHBWURCHFNP-SNVBAGLBSA-N 517.906 7.137 50 10 KKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615282 YSMDWACEQCLVFN-GKROBHDKSA-N 511.899 6.287 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cc(Br)ccc1I 1925584472 JEPLATPHISFBRE-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(Cl)ccc1Br 1993166657 XZARFSQEURKOEZ-INIZCTEOSA-N 518.617 5.338 50 10 KKGE O=C(NN=CC(Br)=Cc1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 2042446474 WWUAYPOUSMIQKP-UHFFFAOYSA-N 532.441 7.720 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1Cl 2048155026 HPXTYJRKXDTNLQ-GSVOUGTGSA-N 562.734 6.560 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1I 2053614426 RISHIVDSHMLGNY-UHFFFAOYSA-N 623.572 5.402 50 10 KKGE Cl[C@@H](Cc1ccc(Br)cc1)c1ccc(Br)cc1I 2086146404 ZEVKZLAQGHCCOL-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE Fc1ccc([C@H](Br)c2cccc(Br)c2Br)c(F)c1Br 2092334605 IIGNDVBAPGONSO-SNVBAGLBSA-N 519.803 6.737 50 10 KKGE Cl[C@H](c1ccccc1I)c1c(Br)c(Br)cc(Br)c1Br 2141477846 UMVUPJQRNRIAFV-CYBMUJFWSA-N 644.164 7.669 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1Cl 2142286592 FMNDSFTYQBKQIO-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(Br)ccc1I 2145957113 NQUMAEBQIFCEAY-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cn1nc(COc2c(Br)cc(CBr)cc2Br)c(Br)c1Cl 2153001706 MQELTOLEQOFLEQ-UHFFFAOYSA-N 552.286 5.835 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(C)C2CC(OCc3ccccc3)C2)c1Br 2179827891 JYMCGSCHWQBHPY-UHFFFAOYSA-N 517.283 5.021 50 10 KKGE FC1(F)CCCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396749 AQEVFPPMZYXWET-LDWIPMOCSA-N 604.747 7.998 50 10 KKGE Clc1ccc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206408698 LFWRAKJDKUYHLF-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE FC(F)CCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2222475504 BHPVEHYUYPLQOM-RXMQYKEDSA-N 578.709 7.608 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)c(Br)cc2F)nn(C)c1Br 2225615458 HPOYLBHYPPYGIL-SNVBAGLBSA-N 519.832 5.639 50 10 KKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2232581272 NFKPNKNMMSLFIF-XOGFGSHOSA-N 564.259 7.605 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2233185729 LACBGACAYHVMOA-ZUVKVVCWSA-N 596.777 6.988 50 10 KKGE CCCCCCc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)s1 2234127043 RKXSTVHHAFUZHR-CQSZACIVSA-N 501.147 7.942 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1C 2236014345 MRBURKABUWSWCP-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Br 2236111445 UYCOBQAQCUNJOP-NSHDSACASA-N 540.342 6.609 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1C 2237632341 WIPSFMVWHXGYLI-JTQLQIEISA-N 509.435 7.306 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)c(Br)c1 2240809184 BZXDGHAOHQACFT-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Cl)ccc2I)c(Br)c1C 2253503787 HAJHLRMSKGELHA-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1 2268281253 SNLSZNXSBLUQMK-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2283581208 NXLGPABDMVWPIO-JTQLQIEISA-N 545.256 8.043 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198179 FXZQDSNSAJZSRG-DEOSSOPVSA-N 522.457 5.779 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)NCc1ccccc1 2294193382 KHCIHGYNILJKMU-UHFFFAOYSA-N 514.028 7.688 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccccc1OCc1ccccc1 2295359575 IBEYRTGIHVZUFW-NRFANRHFSA-N 510.653 7.483 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1 2313567700 MUHLUWOJVVCHHJ-UHFFFAOYSA-N 502.014 5.573 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568190 SUQZQCKMXVBGHS-UHFFFAOYSA-N 660.204 6.809 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(F)cc1 2313568370 VFRRSZNUFXFXEC-UHFFFAOYSA-N 611.455 5.664 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl 2313670487 AEXXZKANOFQBFL-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 2313676820 LEENJDIMZWSBAJ-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c1 2314475679 AIBZSEQXIXGQMP-UHFFFAOYSA-N 567.740 7.024 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501321 WIXWZOWRXRIORN-IBGZPJMESA-N 529.041 7.414 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592180 NKPJGMPBPNUAGF-HSZRJFAPSA-N 557.981 6.432 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593965 WOWFKDPBJRSLGK-DFHRPNOPSA-N 509.675 6.170 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314610565 JKDVYVSOJRIXLD-UHFFFAOYSA-N 573.491 6.483 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 2314618648 QYOMXMJBXMDLTP-UHFFFAOYSA-N 557.654 6.214 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 2314640762 WPNYSHQKRHXTOG-HKBQPEDESA-N 534.999 6.756 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643232 KGOVJHHPUYKLPT-MGBGTMOVSA-N 597.042 7.294 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 2314646966 XDSFYSVXCXMUTG-AREMUKBSSA-N 660.708 5.219 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Cl)cc1I 2317774158 OXTOEHBESZVPNO-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331405572 YMBRCKUMSRKUGG-YEJXKQKISA-N 512.418 6.620 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)c(C)cc1Br 2340063201 IGENYIIJCDZYFF-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(C)cc(Br)c(F)c1Br 2365216924 ZJROQAKQRORETL-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(Br)c1Cl 2365596551 WJXLQNGXFIAIBN-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE CCN(C[C@](C)(CI)OCCCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2366937964 QZGXLLUVDPDMBQ-FQEVSTJZSA-N 530.274 6.393 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 13977031 SENXBOKAKUUCRP-UHFFFAOYSA-N 510.457 5.363 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38658251 BASSCBCAWKNUFD-AFJIDDCJSA-N 510.590 5.966 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678698 KRAYYHPHCWXODG-DEOSSOPVSA-N 505.368 5.269 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCC(C)C 38684277 OUQRXXWWWDMALD-AREMUKBSSA-N 515.522 5.076 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684711 MXHZELWQKAIBCJ-SSEXGKCCSA-N 512.606 5.876 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812923 XSVBLILPPNNCMF-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc6cccnc56)c(C)c43)coc2c1 40827031 VSUPPKYLVPVXPG-PPOKSSTKSA-N 520.589 6.151 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 58891522 NZCKHWDSWOQPLY-WRIMGEDOSA-N 525.443 5.699 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245624 HIUVUUWHHWJYSU-OGCOBRASSA-N 538.456 6.375 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1OC 101339217 MDJWYLLRFLZBBJ-SPTLEAKQSA-N 600.675 5.715 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101339615 ZIRMWNXJYDVBDO-DHRITJCHSA-N 561.465 7.072 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1OC 101366674 GWEVNUWTDRBGEY-JEVDYFGZSA-N 523.372 5.848 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367357 DZTZMEWXRVMJPK-WJOKGBTCSA-N 548.595 6.110 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101374035 GIDVZIVHYXASSI-SSEXGKCCSA-N 563.050 6.429 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 101378371 NXFOTVBYHRNFHQ-UVDDSOTQSA-N 540.660 6.970 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382025 DGROUUQZZLLTGF-LUYLJPJYSA-N 528.608 6.719 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382721 DIHQKSHUAKSQIE-JJPKUHKXSA-N 549.026 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383711 QDBVLFFNYDYMNE-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389353 QYNQIPVEPQNNHE-MGBGTMOVSA-N 580.612 6.314 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)c(C)c2cc1Cl 101398134 MSMLXTJRLUAPKB-HKBQPEDESA-N 577.036 7.719 50 10 KKGE O=C(COc1cccc(Cl)c1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101647201 SNEUXPAMMVGCPI-SLMZUGIISA-N 533.209 5.202 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 101726938 SQAPRXQELVKOBO-VFLNYLIXSA-N 558.512 6.947 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c(C)c1Cl 101766215 OBXBDPLNYBJADQ-KVSWJAHQSA-N 580.704 6.590 50 10 KKGE Cc1c(Cl)cccc1N/C(SCCOc1ccc(Br)cc1)=C(\C#N)c1nc2ccccc2s1 102922732 PTCICQMQPLIUCB-CLCOLTQESA-N 556.938 8.137 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OCc2ccccc2)c1C 102924575 DJKVPGNKVCERBA-QGOAFFKASA-N 535.672 6.752 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c(C)n1-c1ccc(Br)cc1 103123399 BIDDOGYDOIZAKU-UNOMPAQXSA-N 529.337 5.791 50 10 KKGE CC(=O)O[C@@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118916443 LVQSCLBKGHGMFF-PPISAJTKSA-N 554.597 8.375 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1Cl 150441758 MTLNZFQNQPYHKA-SANMLTNESA-N 672.990 7.216 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)oc2cc(Br)ccc12 150482038 BVQDIPINJMQIOB-PMERELPUSA-N 625.450 7.659 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1 150484200 JMYLGNHIBBVMQD-VWLOTQADSA-N 658.963 6.826 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1 164632044 WSHYBEWTGYXASF-ORBVJSQLSA-N 698.105 6.634 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205658251 CVVDRXDYABSPBU-UFZZZVQLSA-N 538.644 6.881 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214385775 XVNJGRLCPOMXHU-MIXAMLLLSA-N 586.648 6.239 50 10 KKGE CC(=O)O[C@]1(C)[C@@H](CO[Si](Cc2ccccc2)(Cc2ccccc2)C(C)(C)C)OC=C[C@@]1(C)O[Si](Cc1ccccc1)(Cc1ccccc1)C(C)(C)C 253490205 HVYWYICDHMIFOF-JCQZPEFCSA-N 749.153 10.631 50 10 KKGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12 254378822 KROQSHALYUVBMU-LQDDJWCHSA-N 664.718 6.678 50 10 KKGE COc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COc4ccccc4C)c3)c3ccccc3n2)c1 254413984 XZASVDXEFOIDFI-UHFFFAOYSA-N 531.612 6.570 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1 254479489 XMRSTJCYRBPEKW-UHFFFAOYSA-N 513.704 6.235 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccco3)cc2)cc1 254838046 CSEIOLKOTQJEQM-MIYNFFDGSA-N 576.653 5.666 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(Br)c(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616587882 URWJXIOFFASYFA-KHFMZKTBSA-N 939.958 9.686 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1Br 691537996 GDOMFXIZYTXDSO-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1 1083864687 OESMZONZKPZDTN-AREMUKBSSA-N 551.481 6.119 50 10 KKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 1083886512 QJPDLWYACVHOBZ-UHFFFAOYSA-N 531.366 6.179 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 1083900082 YUTMLTRRCDMLQZ-UHFFFAOYSA-N 605.116 5.007 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cccc2ccccc12 1083937407 SLDVVEFRTJOFFS-UHFFFAOYSA-N 582.471 5.076 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 1084098261 OHTWHAAOFVSDBX-XMMPIXPASA-N 545.419 5.633 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084118476 YVJSXKUOAFICDJ-XMMPIXPASA-N 669.208 6.916 50 10 KKGE C[C@@H](C=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]23C=C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]12C)n1c(=O)c2ccccc2c(=O)n13 1084288656 CFLHTDQMABEIIR-QSBUOXSNSA-N 602.892 6.995 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084365511 YORFCFUJTHLTGP-CPNJWEJPSA-N 592.395 7.555 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)ccc1OCc1ccc(C)cc1 1084443066 NEGQHMUNHPVGEC-UHFFFAOYSA-N 572.061 6.326 50 10 KKGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084581070 SSLYKRMKDCNOID-IKOUWSNPSA-N 536.528 7.841 50 10 KKGE O=C(NN=C(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1)Nc1ccc(Oc2ccccc2)cc1 1616046386 PHXWTXMDZCCJMQ-UHFFFAOYSA-N 539.485 7.256 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccccc1C 1772753528 NRNSCVYYXPTJMC-UHFFFAOYSA-N 511.416 5.491 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 1772760382 HRNUBIDMOJZKKD-UHFFFAOYSA-N 546.501 6.823 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)cc(Br)c1OCc1ccccc1 1772760640 WKIGLVAKYVOBPP-UHFFFAOYSA-N 526.412 5.420 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OCC 1865686790 AYBULMHPOKYVPT-GDLZYMKVSA-N 566.658 6.352 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688709 YUIVRSSZRAXZCW-LJAQVGFWSA-N 538.623 5.871 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1 1865694533 WUWVPVMRFKGRCD-NDEPHWFRSA-N 545.014 6.228 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695499 OZDXYYBECGNXNS-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696950 LVWCFIHZPXLSPC-FQEVSTJZSA-N 553.368 6.604 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699451 UMYJJBDROSLTCU-QFIPXVFZSA-N 506.393 5.470 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701185 OPPMTEPUFPFNPV-MHZLTWQESA-N 529.015 6.474 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867194785 ZDUFKFMZAGHRFU-MHZLTWQESA-N 576.657 5.966 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1OC 1868231592 LSXDJJGICWHWRF-IRLDBZIGSA-N 505.644 5.636 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868300380 DJNKDPJECCMNBS-SANMLTNESA-N 536.636 5.854 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455789 BVPLPODCHQIHCJ-XMMPIXPASA-N 560.496 7.573 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2cccc(Cl)c2)cs1 1872748172 LQYCBZSVAVSAMV-NMWGTECJSA-N 518.381 6.867 50 10 KKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 1899861584 RWNMFKZJHQCEKD-SFHVURJKSA-N 517.080 7.336 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1ccc(I)c(Br)c1 1904375771 IRSYGNCWQNPRBL-INIZCTEOSA-N 563.068 5.249 50 10 KKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1I 1915297622 JHTDIFIAVGJIJT-GOSISDBHSA-N 500.218 5.662 50 10 KKGE CC1(C)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568918 NJPYQRUNOUXGLH-NJGYIYPDSA-N 517.853 6.763 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CBr)c1I 1951363376 HOZVAHKBMAFZHN-UHFFFAOYSA-N 663.857 5.742 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2csc(I)c2)c1Br 2024279951 SVSNBABHRJAJAH-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE COc1sc([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 2034628169 CIGGUVOIXYESDD-NSHDSACASA-N 522.427 6.215 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1c(Br)cccc1Br 2083334713 OTSLZVRPVRRWEQ-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1ccc(Br)c(C)c1Br 2083334732 TVGBPHSWMQHMLQ-LLVKDONJSA-N 518.894 6.532 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2085494769 NJKXJOADQBBAFN-NSHDSACASA-N 631.576 7.576 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2085495990 OBORNDPXTOJDLR-GFCCVEGCSA-N 524.316 7.597 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1Br)c1cccc(Br)c1 2092262186 XKRVDBYHLGQDCY-LBPRGKRZSA-N 511.877 6.695 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccccc2C2CC2)c1Br 2104108216 NXFUHMVPKDJEPC-NSHDSACASA-N 529.917 7.397 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1I 2146623472 WLODCHSCBZTENR-ZDUSSCGKSA-N 511.954 5.612 50 10 KKGE COc1ccccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406049 USDFLWIHICMHEW-AWEZNQCLSA-N 548.294 7.073 50 10 KKGE Brc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(I)c1 2207275243 JWCUZADCALLDBW-AWEZNQCLSA-N 586.912 7.515 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2225632339 BLZDULKVARPODU-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Brc1cc2sc([C@@H](Br)c3cscc3OCc3ccccc3)cc2s1 2252907026 CHCWOAFYXNNIFE-SFHVURJKSA-N 500.302 7.850 50 10 KKGE COc1cc(OC)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2295418733 KBGQSFCNPBOFRM-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1ccccc1 2296541902 GKRPVLKFXXYFJK-QGZVFWFLSA-N 515.367 5.034 50 10 KKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(=Nc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1 2297506309 YLRDKPZIFGACPO-UHFFFAOYSA-N 566.625 6.334 50 10 KKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 2297564223 CSOFTGQESIQFAX-UHFFFAOYSA-N 504.330 5.874 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299504722 PNLYJMYBMAJTQQ-SFHVURJKSA-N 531.107 7.645 50 10 KKGE Cc1c([C@@H](Br)c2sc(Cl)cc2I)c(Br)nn1C 2300950172 XBMBWUIAGCNQQE-MRVPVSSYSA-N 510.420 5.295 50 10 KKGE ClC[C@@H](I)[C@@H](CCl)OCc1ccc(I)c(Br)c1 2306298881 XYRVWVYMBRWHPQ-GHMZBOCLSA-N 563.826 5.220 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]23)c1Br 2312064159 UHAXHHODZIPRPJ-WAYXCLAOSA-N 566.751 7.219 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1Cl 2313566980 FOCFWCSMFPSLNX-UHFFFAOYSA-N 522.432 5.837 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313567799 LCBGCPDMQSKYNE-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 2314571519 GMDZBDFUKDLBMA-UHFFFAOYSA-N 515.418 6.916 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314591784 DVUASVPTSOQGJT-SANMLTNESA-N 560.517 6.946 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593546 OUYIZNSNPLIBPT-HSZRJFAPSA-N 522.457 6.621 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314617419 XYTFQLNGVJXPFS-UHFFFAOYSA-N 655.110 7.293 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 2314619591 CFOUGERQWSQBSP-UHFFFAOYSA-N 552.993 6.133 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 2314772736 REAJSKLWUUIMHJ-UHFFFAOYSA-N 543.458 5.777 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2331436119 JUSAWDGGOHKWAJ-UHFFFAOYSA-N 519.411 7.493 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccccc1C 2331443879 HUDRYOGVYDMBNR-UHFFFAOYSA-N 521.469 8.467 50 10 KKGE Brc1cc(Br)cc(COC2(CI)CCCCCC2)c1 2337099356 VYTSOYIUIWSQNZ-UHFFFAOYSA-N 502.028 6.256 50 10 KKGE C[C@@H](Br)C[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349828111 KOHSEQGVYCIIMA-YPMHNXCESA-N 501.044 5.582 50 10 KKGE Clc1ccc(C[C@H](CBr)Cc2ccccc2Br)cc1I 2362379951 PJJOULZDKDFRMG-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2I)cc1Cl 2365597824 KQLAINQCOGTQMH-CQSZACIVSA-N 506.392 6.744 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2csc(C)c2Br)c1Br 2369482784 PYBOESCHCXRVKJ-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE Clc1ccc(I)cc1CO[C@@H](CI)c1ccc(Br)cc1 2380353515 MFQRCDBSJYSMLC-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608579 XRQUTXCXSHGVNL-WGOQTCKBSA-N 508.574 5.465 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OC)cc1Cl 38650047 QLTVJNYOSYZLGI-HSZRJFAPSA-N 511.361 5.838 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 38658567 QPXZMTPQMZBAPN-SANMLTNESA-N 520.969 5.177 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 59147167 HFUPKOFSCTXZLH-BLCKFSMSSA-N 502.014 5.834 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 59680288 SXTQCQHVBMSFTG-FJEPWZHXSA-N 509.389 6.820 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1 100453145 RXMHPYDXMHJSAK-RJNBOEKGSA-N 593.259 5.597 50 10 KKGE Cc1ccc(O)c(C(=O)[C@H](Br)[C@H](Br)c2cc(Br)cc3c2OCCO3)c1 100487730 JSWCUROPOOPIIT-HZPDHXFCSA-N 535.026 5.317 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101334299 BXBFPHIUZKSYPD-VDIHWLEOSA-N 577.084 7.162 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101335848 PRNYRLDOMCBSOD-HZHRSRAPSA-N 531.012 5.220 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1C 101362570 DYSOXQNBEHYNFE-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101373796 LZMOZZAEISXSGW-AREMUKBSSA-N 549.967 5.873 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OCC 101373895 MHSKEMQYRZDOLA-WCRBMVSXSA-N 545.035 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379754 YWFLZXRHYZCCRH-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1F 101386630 RNQVNSCKRMWMOL-YTTGMZPUSA-N 566.585 5.924 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101387783 YMHRWACUIINWGV-MGBGTMOVSA-N 607.619 6.084 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1F 101389210 ZMEOOVOWASHKGX-PMERELPUSA-N 616.001 6.802 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)oc2ccc(Br)cc12 101393757 SEWNIXRIWDVPIC-LJAQVGFWSA-N 593.433 7.733 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(Br)c(Br)s1 101759795 OEIKMYQECCUZER-RIYZIHGNSA-N 553.659 7.218 50 10 KKGE Cc1ccc(N/C(SCC(=O)NCc2ccc(Cl)cc2)=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 102931266 NOUSZFOWMPKXGE-RWEWTDSWSA-N 525.461 6.137 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806344 MYDHYCOCBWXJQT-YGJGAJAHSA-N 601.666 5.505 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 104953913 GAUGKQMEMBKALD-DHDCSXOGSA-N 522.215 7.433 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429101 GGGBQJDJKRDJDD-JGCGQSQUSA-N 637.157 8.587 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150429935 OXNQOBXWKMQFAV-KDBUODIZSA-N 647.942 8.461 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150476991 JDADTGAHXJRFOT-FQEVSTJZSA-N 626.707 7.721 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485360 DUGOKLAJOHHRNC-YTTGMZPUSA-N 631.512 7.400 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 163794210 GXCDVSMISOFROO-OCSSWDANSA-N 628.308 6.982 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1 169793897 AFDGXIKNRXDUSK-ZOPRGVHNSA-N 733.938 7.162 50 10 KKGE biogenic CCCCCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCCCCC 196120605 XMCZFERAZWTQTI-UHFFFAOYSA-N 500.774 7.886 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 198044070 PPFHNIVPOLWPCF-LUYSREMJSA-N 541.071 6.075 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 205781605 DJXNJRWTMFXBPZ-BEMCQEHZSA-N 680.758 5.783 50 10 KKGE CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc(OCC)c1OCC 205964285 HYKWSSCDFAWNCG-ZXVVBBHZSA-N 615.712 5.461 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cc1OC 206238149 CWWBGPPXKANTTC-CTBJKRMSSA-N 510.656 6.173 50 10 KKGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 252640053 YQDQKLZJQQTFEU-CRBXJKDESA-N 612.702 6.527 50 10 KKGE N#CC(C#N)=Cc1ccc(N=Nc2sc(N3CCOCC3)c(-c3ccccc3)c2-c2ccccc2)cc1 254571220 UTFBNPAMNVKAJS-UHFFFAOYSA-N 501.615 7.765 50 10 KKGE O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 254668005 KMFPIXXTJKHXLQ-UHFFFAOYSA-N 516.030 5.257 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1Br 311134732 KCWKHTMHNHEIQJ-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CCC1(CC)[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 311432334 RNZTZRCYAXXLTI-NEPJUHHUSA-N 524.995 6.114 50 10 KKGE Cl[C@H](c1cc(I)cc2c1OCC2)c1sccc1I 386316363 KELJQDVAHRHZRH-LLVKDONJSA-N 502.542 5.220 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(I)c(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616583877 CRVMASQIWIEOGL-GPRXDUPDSA-N 986.958 9.528 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3oc4ccccc4oc4cccc(P(c5ccccc5)c5ccccc5)c4c23)cc1 642813900 DTJJMKFHBFTIDT-UHFFFAOYSA-N 628.648 8.973 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1 725413859 DYTGRRYJXOXWRE-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 725438804 GRJYENDCVFVZCX-UGNDHHRCSA-N 698.245 6.869 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1 1083923388 PHIBPRMZDFENCW-UHFFFAOYSA-N 622.563 8.265 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)c1 1083963484 IXSPNLGFLXHRDV-UHFFFAOYSA-N 657.406 8.629 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1083976602 KFZRZHBDUBNGNX-SRZZPIQSSA-N 568.888 7.372 50 10 KKGE CCOc1cc(C=NNC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl 1084017423 TWWJJZHXBDPXIW-UHFFFAOYSA-N 516.823 6.544 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084251940 LODFPWJJWXRTCI-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE CCOc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084276312 GFJLWQYSZRKVHP-UHFFFAOYSA-N 544.073 5.100 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084332316 AJXAVKVEYVCSBY-QHCPKHFHSA-N 580.306 6.698 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1C 1084505282 WBBJDQYQIIEHQY-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1084631002 GDWJNMLPJZHPCK-PXNMLYILSA-N 522.215 7.433 50 10 KKGE CC(C)COc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084636449 JQQZXMFONPUBFC-UHFFFAOYSA-N 507.656 5.190 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc(C)c1Cl 1772749417 KWRXPEZGLXHKMM-UHFFFAOYSA-N 549.838 6.620 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848703404 JTGHSJQVBHQKPC-KWFNWYSNSA-N 700.725 12.051 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686900 DQBDVJUCSVYMBT-HHHXNRCGSA-N 500.558 5.933 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865687413 QPRYYGRIXMUNFN-LJAQVGFWSA-N 550.659 6.403 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865689857 XUNAZTXWKDUSRN-HHHXNRCGSA-N 522.605 5.623 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865693767 YOCDSPZUSCQHDM-QHCPKHFHSA-N 551.485 6.518 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697536 VXNRTXCXDJAXFK-DEOSSOPVSA-N 527.452 6.537 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703622 XHERORSFHREKHT-PMERELPUSA-N 512.613 6.694 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704025 LCAJJTQPIRZFDN-UUWRZZSWSA-N 574.684 7.857 50 10 KKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 1865759796 SODZDZJSYJNOHD-UHFFFAOYSA-N 506.389 6.018 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)OCCc2ccccc2)c1C 1866215268 KXZLHWIPQCIPTB-PTGBLXJZSA-N 562.644 5.204 50 10 KKGE CC/C(=C\C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866687055 IFXGFYLNFFUOAH-MXOIOMGLSA-N 543.645 5.353 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867213068 MEBOVWDSDBGNNE-LOSJGSFVSA-N 567.708 5.815 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(Cl)c3)nc(-c3ccc(F)cc3)n2)cc1 1868455726 ALBXUBDOSCTLRL-HKBQPEDESA-N 564.089 8.405 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(OC)cc4[C@H]3c3ccccc3)n2)c1 1868504965 BMDBUWYBYOHJCW-MGBGTMOVSA-N 571.706 7.630 50 10 KKGE COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OCc4cccc(CCl)c4)ccc3c2=O)cc1 1871437443 XVYJSZGDFBGTST-UHFFFAOYSA-N 518.871 6.709 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)\c2ccccc2)cc1OC 1872745513 QQFOZZXHXSUZQE-YRHUZAOSSA-N 520.654 7.740 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 1872746257 ZSWPIQPPGWSHOE-OMEIHDDLSA-N 508.397 5.917 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748689 JBQPETLLQOBVDD-JZZHWFMQSA-N 520.825 6.625 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c(OC)c1OC 1872794941 FJBHGKWVFACTLL-XSFVSMFZSA-N 519.022 7.132 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)ccc1OCc1ccccc1 1873496231 JKXNPUZAYQHFMK-UZWMFBFFSA-N 529.637 5.256 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 1925596264 YCLMDMDKLNBWQV-HNNXBMFYSA-N 507.074 7.881 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)s1 1951017186 ZIKGYOWNNVODBR-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE FC(F)(F)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781621 HWPLSNHPBIRJHS-RXMQYKEDSA-N 524.194 6.969 50 10 KKGE CN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2085499887 KWVWSNZIOIQSCK-IJESPZCISA-N 569.755 6.171 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(I)c(Br)c2)c1Br 2138860247 ATJSTUUKZWGTAC-CQSZACIVSA-N 623.746 7.371 50 10 KKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2142286434 CKTZMUVSOLOZTH-CQSZACIVSA-N 516.398 6.200 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Cl)c3csc(Br)c3Br)c2O1 2150345370 JRTJSLWMVDGZPT-SREIQFSDSA-N 501.465 6.687 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)cc3c2OCCC3)cc1Br 2172561424 ZWOOLUQVVNFJGU-LBPRGKRZSA-N 501.465 6.736 50 10 KKGE C[C@@H](c1cscc1Br)N(C)c1c(CBr)ccc(Br)c1Cl 2186578143 HIJBJXONXRRFRY-QMMMGPOBSA-N 502.497 7.019 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1Br 2218799534 GHPWAQXBWVJPMA-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Br)c(C)c2Br)c(C)c1Br 2218964196 FRVGAELJESHHGD-SECBINFHSA-N 537.962 7.507 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(I)c2)s1 2224783327 RRAGKRSKMVBYDZ-CYBMUJFWSA-N 516.036 6.136 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2226087505 DOGWRTVTOFYNGH-GFCCVEGCSA-N 617.220 8.197 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232519997 MNZQVZDVUBBIPT-LBPRGKRZSA-N 524.838 7.651 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1Br 2234468362 CPLGZTZCODJDFX-GFCCVEGCSA-N 675.698 8.662 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Cl)c(C)c1Br 2235617155 JKHJZTAPRHBORB-JTQLQIEISA-N 505.863 6.353 50 10 KKGE Clc1ccccc1[C@H](CI)OCCOCCOCCOCc1ccccc1 2236083784 COLGVACTUWRCDS-NRFANRHFSA-N 504.792 5.083 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)c(I)c2)c1C 2256330788 DJPOQFBKUDDCEY-NSHDSACASA-N 520.455 6.870 50 10 KKGE COc1ccc([C@H](Br)c2cccc(I)c2)cc1I 2257370049 PVCCRALADNDCLF-CQSZACIVSA-N 528.953 5.389 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2sc(Br)cc2Br)c1 2263452576 MJJUCWRAPNWMCN-VIFPVBQESA-N 582.775 7.477 50 10 KKGE Cn1nc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1Cl 2278088083 BEOMXMOERRYOOT-MRVPVSSYSA-N 505.482 6.359 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2285943631 LQOCMYOAKNHJBB-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288494924 MXWWIPDYBWFNMQ-NSHDSACASA-N 537.793 6.876 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2293202135 HIQPTIYCMZIZEW-UHFFFAOYSA-N 514.478 7.545 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)NN=CC=Cc1ccccc1 2293335467 AFWUVRSIZJSZRI-UHFFFAOYSA-N 508.434 6.149 50 10 KKGE COc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1I 2295268314 XJTOIBLYLYBSHT-ZDUSSCGKSA-N 530.425 6.347 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 2295670007 XTHSHFCLQSVRQH-UHFFFAOYSA-N 543.000 6.620 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1sc(Cl)cc1I 2301087157 VIPRWTZSLAAZMQ-QMMMGPOBSA-N 510.420 5.469 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521350 IANIQYWONIJWOM-UHFFFAOYSA-N 550.409 6.498 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 2314531424 AZEIPHRNQBDRKM-UHFFFAOYSA-N 573.403 5.280 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314616877 LSIYRSQKHTYLGE-UHFFFAOYSA-N 560.629 6.302 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 2314634012 AXBSNNZVPZZJMA-MHZLTWQESA-N 529.434 6.584 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643364 VLYLWOJPTIWDSV-JGCGQSQUSA-N 633.915 8.071 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 2316834748 UDVOARXLKFVSHT-VKHMYHEASA-N 651.636 6.778 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)n1 2331281820 UTYJSNFEVJBNLR-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)cc1 2331305532 PFNFEFYTLCMUQL-UHFFFAOYSA-N 519.848 7.277 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331457860 PWQIMJBPKMSXGC-UHFFFAOYSA-N 504.247 7.228 50 10 KKGE Cc1csc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335290281 PAGHPPLJLXWNNX-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE FC(F)(F)c1sccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336078693 QLMGNTXBKCEYBN-KRWDZBQOSA-N 506.181 7.593 50 10 KKGE FC1(F)[C@@H]2CC(CBr)(Cc3ccc(I)c(Br)c3)C[C@H]21 2349863939 CZHKVYFBOSLODB-NXEZZACHSA-N 505.966 5.653 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2365595240 HZVCBGXCCPXQIY-CQSZACIVSA-N 534.388 6.339 50 10 KKGE COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 3086832 FFANLXZKORUQIN-FOKLQQMPSA-N 508.166 5.009 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCCC(C)C 38660393 ZHUMUMYWYZNDPC-PMERELPUSA-N 528.605 5.631 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 40530126 JEYPQRWIACPGRF-NDEPHWFRSA-N 502.998 6.275 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100192273 NHNSCSVWLKQLDQ-UHFFFAOYSA-N 550.247 5.240 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1 100237733 YDJSCPBYQXMDQZ-ZYMKGWJUSA-N 606.432 5.381 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869689 VRTHRXIROBIKDO-KBVAKVRCSA-N 575.445 5.938 50 10 KKGE O=C(NNC(=O)c1ccccc1Br)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 101099295 OJEOAKWWIGXVTL-UHFFFAOYSA-N 545.315 5.087 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101336734 QGFSSZAUHQZKMW-MUFRIFMGSA-N 546.627 6.268 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc(C)c1Cl 101363858 MQXXMPKXXHKBKX-XMMPIXPASA-N 539.813 5.922 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCCC(C)C 101368289 SFZZLGQPGYRPPK-HLGZHNOUSA-N 545.035 6.610 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCCC(C)C)c(OCC)c1 101375182 WDEFOWXZLCWQPO-JGCGQSQUSA-N 570.686 7.126 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381259 NZFNCBXTLZQEJX-PBYQXAPXSA-N 605.449 7.303 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381326 FDIAFLAVOFEJRC-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387244 ANXYTVIFHQVWLE-KKIUXKEOSA-N 584.575 6.143 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101393368 FJGFFXDZLFJBOO-SSEXGKCCSA-N 625.549 8.043 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101397531 FCYNSOGSYAVXPR-PMERELPUSA-N 576.992 6.463 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1OC 102779037 FTSINLAVDPIDCE-LVRWTHNMSA-N 575.146 5.547 50 10 KKGE O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 103535891 MUXOXZOHXPJDBX-KBKYJPHKSA-N 550.196 6.018 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 103789657 WFBCTJHUCCCMJX-HYARGMPZSA-N 615.355 6.989 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883211 OBZQYKMMSDBNSR-CJLVFECKSA-N 583.857 5.779 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 105056231 REFDSTMOGMDGFD-RPPGKUMJSA-N 535.181 5.064 50 10 KKGE O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 105456003 WYOLTATZIHZSOQ-OKCVXOCRSA-N 605.539 6.276 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1I 150578723 CENGNPGCCBFVQK-JYOAFUTRSA-N 613.020 6.147 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O 195769793 FOAZHAUAMDIHLV-SSBOKUKZSA-N 576.100 8.874 50 10 KKGE C[C@H](CI)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 195996581 LVIFSGTVHZZZPF-FIVWBGHLSA-N 618.738 7.868 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397971 UVHVISRHRXMKSG-NEMMKXMCSA-N 521.573 5.220 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214310614 SOPNDIFBUQTDAH-QFEZKATASA-N 560.570 5.034 50 10 KKGE COCCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 229015068 CZAHHPVHJBWTST-CYBMUJFWSA-N 563.931 6.545 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)cc1CN1CCOCC1 252588368 ABHCIGLTCWZVCH-UHFFFAOYSA-N 538.648 5.294 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=Cc1ccco1 252602153 FFZAFMKZMMHENM-QFIPXVFZSA-N 628.300 6.314 50 10 KKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 254627987 UWHXOMUCHXUWNC-UHFFFAOYSA-N 558.226 5.760 50 10 KKGE CCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C=NNC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc1 254856819 UIKGMAVBMVPGNF-UHFFFAOYSA-N 566.654 6.705 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)c3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019063 IXUUMEXFTFGSQP-WBYFRWOPSA-N 881.962 8.935 50 10 KKGE Cc1nn(C)c(Oc2c(I)cc(Cl)cc2I)c1CCl 311389764 CRRIAHDPANTVAK-UHFFFAOYSA-N 522.939 5.122 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2csc(I)c2)c(C)c1Br 394121764 CNGQLHJWUHJWGJ-AWEZNQCLSA-N 500.037 6.525 50 10 KKGE ClCc1nc2cc(Br)cnc2n1-c1cc(I)cc(I)c1 690395308 IGQAGXUZNLBAIU-UHFFFAOYSA-N 574.385 5.131 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3scc(Br)c3Br)c2O1 720026541 NHJUBUAKASBAQT-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1 725422251 XTKVJGHMGVBCPB-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 1084282576 JUSBPBMTXIVRTN-DJKKODMXSA-N 568.367 5.462 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084289776 CQZGCOLXUUKEPI-UHFFFAOYSA-N 567.427 5.568 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 1084406913 MMUJDIZOLPXXJB-UHFFFAOYSA-N 569.478 7.526 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084467400 WGWOIJWHDDTSRJ-UHFFFAOYSA-N 515.057 6.057 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084641958 XCBWBVMXONNLIX-UHFFFAOYSA-N 531.487 6.723 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(C(F)(F)F)ccc5Cl)c(C)c43)coc2c1C 1772751436 BUMONGRMCXZCKH-UHFFFAOYSA-N 571.983 7.275 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)ccc1OCc1c(Cl)cccc1Cl 1772753873 LULUFMHXJWEJFQ-UHFFFAOYSA-N 538.225 5.873 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 1772754951 BZKINPYQANVXHP-UHFFFAOYSA-N 620.953 7.195 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685398 IFHQNVFQBKXVAZ-QFIPXVFZSA-N 537.834 6.785 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686468 WHZIJQQDEIJIRL-HNNXBMFYSA-N 530.131 6.179 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688340 PREUHOZEYHTFBZ-MUUNZHRXSA-N 541.051 5.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc(OC)c1OC 1865692708 OUPKYAKZFDJSDE-DEOSSOPVSA-N 546.986 5.635 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3cccc4ccccc34)cc2)cc1 1865692720 HQXJTFBUEBQEFD-HHHXNRCGSA-N 552.556 7.150 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865703294 SNPIXQVCZZGMDG-AREMUKBSSA-N 560.576 6.704 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OC(=O)c1ccccc1 1865705476 WSJBDLUHEKUZEI-GDLZYMKVSA-N 572.596 6.183 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867142670 GPAUNMALEPAVLB-CLJLJLNGSA-N 550.522 6.858 50 10 KKGE C[C@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867183542 DENWHKGGUYNPSO-KBMIEXCESA-N 524.111 6.464 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)CC2 1868320114 BSJBZFKPOGTRGY-WJOKGBTCSA-N 551.716 7.546 50 10 KKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868433373 JVXPMZSPNBSCRU-IBGZPJMESA-N 533.126 7.058 50 10 KKGE COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccc(CCl)cc4)ccc3c2=O)cc1OC 1871438164 OZLIUQIHDKMCNQ-UHFFFAOYSA-N 504.888 6.814 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)n1 1872747328 XLRBXXJYWWZLAN-ROMGYVFFSA-N 507.571 6.186 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 1872793487 CICZCERUVZAEFD-XDHOZWIPSA-N 513.059 7.513 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1Cl 1872794670 OYCMMRHVVXXOGN-RGVLZGJSSA-N 523.441 7.777 50 10 KKGE F[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898078451 NXGFXZWZKOBCRT-JIXFULDZSA-N 544.676 6.531 50 10 KKGE Brc1cc([C@@H](Br)c2sc(Br)cc2Br)c(Br)s1 1922929042 FNPYMDPRQWXZGB-SSDOTTSWSA-N 574.777 7.344 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccccc2I)c1Br 1922939909 JGGGVQOVQSUVSI-SNVBAGLBSA-N 550.879 6.670 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1I 1923068470 RYKLPKJBXWPRRX-SSDOTTSWSA-N 544.836 6.998 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1OC 1923073633 YYNFAVZEMCAIJI-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924579364 DLSKNGYYFQORCD-SECBINFHSA-N 503.879 6.828 50 10 KKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924593975 JGFYUROBNIHGAK-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Cc1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924594760 PMQAJVDQUGDKLE-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Fc1cccc([C@@H](Br)c2sc(Cl)cc2Br)c1I 1948829107 QBCSTDWMVIUCGN-SECBINFHSA-N 510.391 6.392 50 10 KKGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1991471319 NYSQKNZXRPSGHK-KFHVRLCOSA-N 513.476 5.572 50 10 KKGE CC1(C)C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780503 UEULQSFQYRDGGV-CDUCUWFYSA-N 554.740 7.219 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(Cl)ccc1Br)C(=O)OC(C)(C)C 2080304216 JTBONVHHTQLPDN-GOSISDBHSA-N 546.671 6.070 50 10 KKGE C[C@@H]1CCO[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495055 OYMDMLFQJKXHFK-ZSCXHOBISA-N 570.739 6.598 50 10 KKGE Clc1cscc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497232 ZOQYFPDINJOLNJ-LLVKDONJSA-N 558.742 7.780 50 10 KKGE CCCOC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141470805 KZOFECCHLBAGAC-GFCCVEGCSA-N 540.315 6.976 50 10 KKGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCCC[C@@H]1Br 2172546711 IINAMHGRONNUQH-KBPBESRZSA-N 515.027 5.222 50 10 KKGE COC1(C(F)(F)F)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2182020518 TXYALSVXUZTKRD-DJQPPXJLSA-N 565.869 6.829 50 10 KKGE CC1(C)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC(C)(C)C1 2193418979 HABBIOPKWAGCCK-NSHDSACASA-N 507.557 8.168 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2nn(C)c(Cl)c2Cl)c1Br 2201066418 AJQCAWZQZHALPJ-JTQLQIEISA-N 505.863 6.353 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2202348086 YBGOETGCAALNET-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2c(Br)cccc2Br)cc1Br 2202363813 ICSWQOZLSPKBFG-AWEZNQCLSA-N 548.294 7.120 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206397645 LNPSLQVENPWUGH-BDAKNGLRSA-N 598.837 8.635 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2206400844 SVWMZIYVTCIPHJ-MRCNFZFLSA-N 594.805 7.999 50 10 KKGE CC1(C)C[C@@H](Br)C[C@@H](c2sc(Br)c(Br)c2Br)C1 2216417878 GXISJJABHACDRE-RQJHMYQMSA-N 509.927 7.093 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(I)c1 2225618407 YXOSPQWIZBIJSA-ZDUSSCGKSA-N 566.803 6.579 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1ccc(Br)cc1Cl 2237459055 WRMVWDSJABSSMB-CYBMUJFWSA-N 505.834 7.289 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1scc(Br)c1Cl 2246465381 BMVZOYSEMMKTLF-SCSAIBSYSA-N 520.320 7.779 50 10 KKGE Fc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277959332 RKUYOCLAIFKTSR-GFCCVEGCSA-N 515.840 6.792 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(I)c(Cl)c1 2288346663 ZWCVXPQTJICYFC-LLVKDONJSA-N 601.248 7.232 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccc(I)cc2)cc1 2294168535 QFGJVJXXXMWECD-UHFFFAOYSA-N 508.359 5.978 50 10 KKGE O=C(NN=Cc1cc(Cc2ccccc2Cl)ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482936 DFQWYNYZSBZGAJ-UHFFFAOYSA-N 554.002 5.286 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)ccc1O 2296728782 PWYNHOARIIFRAY-UHFFFAOYSA-N 501.995 6.803 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521528 UVIXZHLOXVWAPD-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE Cc1cc(Br)ccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 2313549118 NQVRRJGMYVZIPD-UHFFFAOYSA-N 586.486 7.939 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1 2313567107 GMGPSNMTMZFJTJ-UHFFFAOYSA-N 684.053 5.075 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1C 2314438700 ASFKIPCZCBIJTB-LJQANCHMSA-N 545.134 7.953 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593272 KNSDZINBJQCOPW-ZBLYBZFDSA-N 511.647 5.697 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594044 YBKLRKOKAAHFTQ-AFMDSPMNSA-N 515.610 5.528 50 10 KKGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314616923 MYFZBLCPEBNNCQ-UHFFFAOYSA-N 512.993 5.763 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c(OC)c1 2314634543 HIGQUPDZXQORDJ-AREMUKBSSA-N 523.372 5.848 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331349392 PCTDYNFACFTNLA-UHFFFAOYSA-N 510.659 7.731 50 10 KKGE Cc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339681590 JSSXHZDFDZROOQ-JTQLQIEISA-N 535.896 7.276 50 10 KKGE BrC[C@H](OCc1cc(I)ccc1Br)c1ccccc1Br 2367601499 KMJRKDNVNXRHBG-HNNXBMFYSA-N 574.876 6.469 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=C(SCc2ccc(F)cc2Cl)SCc2ccc(F)cc2Cl)c1 3059054 UNESNFHEZJKVDI-UHFFFAOYSA-N 549.495 8.429 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38658278 RXXAARMJMZUIAX-WJOKGBTCSA-N 514.581 6.207 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38681941 KGNOUAUXVCUNCJ-LJAQVGFWSA-N 512.606 6.400 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38688568 PPJFQVRVTYHESK-DEOSSOPVSA-N 514.990 6.557 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573358 VZPITVYVWAJTSF-KBVAKVRCSA-N 505.401 6.915 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 58887940 YDZCTGOFHWGLLA-XZJBEKIMSA-N 501.410 5.935 50 10 KKGE C=C(C[C@H](CN(CCCl)CCCl)C(=O)c1ccc(OCC)cc1)C(=O)c1ccc(OCC)cc1 95721594 GAFNRQALKYWKKG-HSZRJFAPSA-N 506.470 5.892 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100181976 APTSIUDRHIZICS-CYBMUJFWSA-N 577.328 5.284 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1 100209345 DAYKCBXSNNFFEE-UHFFFAOYSA-N 550.519 5.392 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243985 APHDCEZYZNWDHD-IDIAJVPVSA-N 566.510 6.696 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244434 KUOGOAUYLQQELP-OGCOBRASSA-N 556.009 6.986 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101372245 PKXIGYGDBANSSG-YTTGMZPUSA-N 570.686 7.126 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383727 BESUREJESSVFDN-WQEAFIQUSA-N 574.652 7.539 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389323 DWFGJKVKKDRBGL-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101713568 YAAZLWBTAGHSFX-RPPGKUMJSA-N 597.101 6.082 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1Br 101751312 HGMYEDORQCWRQW-RCCKNPSSSA-N 567.436 5.737 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 102262783 IVOONLCYDUPIPA-BOPFTXTBSA-N 552.337 5.139 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 102406097 TURSWQJGVDBROM-RWEWTDSWSA-N 542.558 9.641 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)/C(C#N)=C/c3ccc4c(c3)OCO4)c2)c(Br)c1 102929603 BEYCVZJVJMCEMT-OVCLIPMQSA-N 590.839 5.186 50 10 KKGE CCn1c(-c2ccccc2)c(C(=O)/C(C#N)=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c2ccccc21 102988514 XDTLQTWFWLTVGD-XLNRJJMWSA-N 531.597 6.967 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1 104614744 DKNJCXNFEYEIPD-IGVARXHKSA-N 541.607 5.052 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 105360318 LRKKDQSMCNECQC-UHFFFAOYSA-N 532.262 5.573 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433420 CYYZPVQJISAPHJ-PMERELPUSA-N 666.901 7.970 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 164617893 ZGWJNRIDRWULFP-QLQYKETESA-N 653.533 7.865 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCCC(C)C 205650930 BQECMLWCFGVMDU-ACWVLAELSA-N 510.590 5.957 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205775888 UDBZBAMGAUOWEX-LUNPLWTBSA-N 632.742 5.553 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214342782 HSNQLSMDOVXMON-OWJYGESUSA-N 500.639 6.788 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214346324 ZIDHEKOVHLVXOK-IMRQLAEWSA-N 542.595 5.145 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C2=O)cc1 214392342 VOHJAHVQDROHSJ-MNBJERMJSA-N 572.665 6.375 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OC(=O)/C=C\c1ccccc1 254386625 OUYJWTSXFXKGQC-WBAFVVMUSA-N 506.558 5.657 50 10 KKGE COc1cc(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 254712207 CKHLKBHLHDLJHE-XLSIWQRUSA-N 522.557 5.248 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(OCC)cc3)cc2)cc1 254905902 MWDSWSVBYNENIT-UHFFFAOYSA-N 622.678 5.825 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256018978 DJHHYVULPZJTHK-WBYFRWOPSA-N 881.962 8.935 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@H]23)ccc1OCC(C)C 256027243 VEAGAZNBOZXMBZ-RWWYKBPASA-N 503.667 5.037 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COCc1ccccc1 263632964 MUQPDVOQNCXNPI-SUDRRVMNSA-N 775.964 8.244 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(I)ccc2F)[C@@H](CI)C1 382713644 IQWXMOGVYWDURJ-YOEHRIQHSA-N 565.164 5.218 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H](O)CCCCCOCc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504222434 WAZIOJYYGXJHLC-GVBYMILNSA-N 616.919 8.022 50 10 KKGE in-vitro CC(C)(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586823 HODUUTHQNQITGS-SPEBERNDSA-N 779.062 9.261 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1 725412527 QJYPHYMPJJMJIU-RUZDIDTESA-N 559.888 6.353 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 725427316 NSZPZIUSZKLVMT-MUUNZHRXSA-N 640.372 7.306 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084005650 RHHNDKCPUDHLBN-QHCPKHFHSA-N 511.416 5.391 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(I)cc2)cc1 1084063527 QHCKFLWPLREWFA-DEOSSOPVSA-N 637.312 5.995 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1084079979 KZUHLDUTIKYMOG-UHFFFAOYSA-N 514.412 7.783 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1 1084577314 CHSHHCNGJOXZQT-UHFFFAOYSA-N 522.226 6.498 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743856 MFYSDFDBKHDIME-UHFFFAOYSA-N 510.388 5.472 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745028 OWXLUGZAMOEMSJ-OAHLLOKOSA-N 504.518 5.087 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 1865684909 ARXKJTQVCJNRBX-DEOSSOPVSA-N 509.396 7.217 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688092 JCRWKQOWFFLZSH-GOSISDBHSA-N 549.347 5.344 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865689135 KWAIHXWJUZNNRY-HXUWFJFHSA-N 502.468 5.105 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865690426 QUPSIOJCDYBHPA-AREMUKBSSA-N 555.476 7.089 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865693513 WOERDMVZDSUSRA-HSZRJFAPSA-N 557.876 6.061 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865694172 VEVAIAZKBHNCSW-RUZDIDTESA-N 561.469 6.921 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696339 MANGOFJSOHMMGO-QHCPKHFHSA-N 563.839 5.947 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865697424 SDORHLIUCREILD-FQEVSTJZSA-N 560.246 5.331 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865697432 SHTOGZMZBRYXOW-RUZDIDTESA-N 507.034 5.943 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(Cl)c1O 1865707177 PZHAGTOAQHXWQH-MRXNPFEDSA-N 511.287 5.189 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711255 UDJKCXFZVLOJJA-QHCPKHFHSA-N 554.931 6.636 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866662141 QBVNPDORFPKCJK-RUZDIDTESA-N 514.582 5.271 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866672872 WCBXWZACXDYZNC-AREMUKBSSA-N 572.712 5.831 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866740002 YGUHMOLFYUAOIK-SVBPBHIXSA-N 501.652 5.770 50 10 KKGE Cc1ccc([C@@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955030 DXQANTQRJDFSEB-SXOMAYOGSA-N 517.720 6.365 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867084271 ABFCELOEESRRAT-SANMLTNESA-N 559.692 5.148 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1OC 1868434046 VUOBYIOJIPWZTA-UKILVPOCSA-N 574.106 6.833 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccccc1 1872781558 INJZVZFBPUGMAT-WOJGMQOQSA-N 507.398 7.409 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)\c2ccccc2)cc1OC 1873940987 QPXAKTBBFOOINT-ZHJGTXQPSA-N 511.559 6.769 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915296378 TUWGKNMRVQQMKR-CQSZACIVSA-N 515.720 5.774 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1c(Br)sc(Br)c1Br 1924596067 ITSKOUPUKLDUFH-SECBINFHSA-N 603.193 7.889 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1c(Br)sc(Br)c1Br 1924596325 MWLYFRRNNKBFDJ-SECBINFHSA-N 650.193 7.731 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(F)cc1I 2030223952 WBWOKBJYVALUBN-CYBMUJFWSA-N 504.000 6.301 50 10 KKGE FC1(F)CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085492160 GYGPUQHDJASSBO-JTQLQIEISA-N 532.242 7.062 50 10 KKGE CCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085497188 ZFEHHYZZXGHWQJ-LBPRGKRZSA-N 524.316 7.597 50 10 KKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@@H](Br)C1CCCC1 2110730194 IGAIDOIUKOYKLA-NSHDSACASA-N 518.869 5.866 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146628748 PEDMGGOPADKNOJ-QTTZVWFDSA-N 545.916 6.843 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 2146764133 VTKUZCORJZYBLZ-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cc1nn(C)c2sc([C@@H](Cl)c3c(Br)sc(Br)c3Br)cc12 2175242176 AFAAETNUHLCYRF-SECBINFHSA-N 519.509 6.620 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2203434427 ZJLVGNRJYGWVHT-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1nscc1Br 2213492010 LCMVMHDWPIBCMQ-SECBINFHSA-N 508.830 6.054 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2225617951 WXMRYGJWRAZXMI-CYBMUJFWSA-N 583.258 7.046 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235614458 IERXEMNQEJDSEU-ZDUSSCGKSA-N 529.896 6.292 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)cc1C 2236015285 WIHGSMVPTUUKDK-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295669946 PSBYARFHUXYVRW-UHFFFAOYSA-N 514.334 7.561 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccccc1Cl 2296646581 ZLTSEBOHSOPKPW-UHFFFAOYSA-N 565.851 6.566 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCCOc1ccccc1)c1nnc(NC(=O)c2ccccc2)s1 2296940652 SZZCOGHPAZUSCB-UHFFFAOYSA-N 513.535 5.221 50 10 KKGE N#CC(=Cc1cn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12)c1nc2ccccc2[nH]1 2297730660 WXVWOGQXOPNIPI-UHFFFAOYSA-N 502.578 5.057 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)c(I)c1 2301797736 BAIGLYNPTLNDHN-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Brc1cc(CO[C@H]2CCCC[C@@H]2I)ccc1I 2306300469 AZKYTBUPFZSAKB-STQMWFEESA-N 520.974 5.317 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NC1CCCCC1 2313510913 CWKIWEFQKFAWGR-UHFFFAOYSA-N 612.249 5.831 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314490253 WHVRWIWOUDCNIN-UHFFFAOYSA-N 550.552 5.906 50 10 KKGE CC[C@@H]1C[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2320371828 YAMMPYSPWMJSQD-FWWHASMVSA-N 524.316 7.453 50 10 KKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 2328826146 IIGZFXLIXLERAA-NRFANRHFSA-N 510.031 5.155 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccc3ccccc23)cs1 2331339748 CWWNOIXXBBNUBH-UHFFFAOYSA-N 503.539 6.302 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331344779 LZTVEAGEHRJFDY-IBGZPJMESA-N 515.635 6.637 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 2331376494 JVYQITSRPUDKSM-UHFFFAOYSA-N 513.059 7.530 50 10 KKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OC 2331438074 ZAJGDMQFZJECFS-UHFFFAOYSA-N 506.668 7.639 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ncsc2Br)c1Br 2339639104 IUCBMBAIIOTNJU-QMMMGPOBSA-N 534.893 6.232 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@H]1Br 2349823851 GNMIKFVQQHWXHT-IUODEOHRSA-N 501.044 5.582 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1I 2362225140 ROQVLOGRLVNZGH-ZDUSSCGKSA-N 552.834 7.245 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)cc(Cl)c1 2365186725 TUTIBAFWNDKKCQ-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)cc(Cl)c1 2365186726 TUTIBAFWNDKKCQ-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Clc1ccccc1[C@H](CI)OCc1cc(I)ccc1Br 2367609547 ABASNWSDYLYPQQ-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE Cc1ccccc1COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 2777322 LKVWUEWNSMYWMW-DIBXZPPDSA-N 551.668 6.537 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1Cn1nc(C)c(Br)c1C 2945992 URYNWUQLHGNHAF-YTLAKBNPSA-N 533.854 5.199 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc2c1CC[C@@H](C)C2 6167550 WRTLDSCJJQHDLD-JLNDUUMHSA-N 577.703 5.618 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642258 NMJSXGDCNJAWNK-UHFFFAOYSA-N 524.415 5.085 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14768658 FFDGFFDYJUXKDH-MUUNZHRXSA-N 507.590 5.533 50 10 KKGE C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nnc1-c1ccc(Br)cc1 27520603 LUXYCWIGYLLLKM-LGJNPRDNSA-N 512.477 5.650 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651501 OSZIPYJROSVWRF-XMMPIXPASA-N 505.368 5.675 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684214 GTRYUEBQNGPBTM-LJAQVGFWSA-N 526.589 5.732 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 38684263 RMPMBOPDSVJUKV-MUUNZHRXSA-N 518.997 5.750 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38685961 YECLEOHMALZVLX-SSEXGKCCSA-N 502.570 6.041 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207316 XQCKDBQLTVAHFF-UHFFFAOYSA-N 597.318 5.092 50 10 KKGE CCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 100214681 PLMPLWXRWURKQX-UHFFFAOYSA-N 601.089 5.366 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 100235995 YIDCWRANSGYIJY-ZZJXEYPFSA-N 624.757 6.807 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100327452 ZLLMIMVUHPSHBZ-WHXCVRPHSA-N 576.285 5.763 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)c2)C1 101014142 OZWYLNAFXAYWPP-DYFRESJPSA-N 579.726 5.429 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101336211 HBVSOKDASHCIAL-RUMWWMSVSA-N 586.692 6.526 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365151 LXZHODONKHMCHL-OAQYLSRUSA-N 516.178 6.193 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386065 WRWAVUYMRTXQFS-HKBQPEDESA-N 587.003 6.269 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389775 NEXUGWGQIRQRCU-HKBQPEDESA-N 617.485 7.417 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101390780 QERYMIHWGNAMNE-AREMUKBSSA-N 559.416 6.730 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101393190 KDIXQYBGOLLPER-WJOKGBTCSA-N 566.654 7.373 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101394235 KAYQKVQMASFXSP-MHZLTWQESA-N 544.991 6.629 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101397215 YHNKTSUYTACWQQ-HKBQPEDESA-N 585.100 8.490 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 101727617 OWAWYBJXCLRQOL-XKJRVUDJSA-N 562.931 7.592 50 10 KKGE N#C/C(=C/Nc1ccc2c(c1)OCCO2)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102420968 UIYFKCXKZUODFD-KAMYIIQDSA-N 508.353 5.427 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 102666303 JEIQRXOVKBANRQ-CTHAODRQSA-N 524.429 6.067 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)ccc1OC(C)C 102778971 GAGSKHMLKZWSEV-QMCAYLGFSA-N 549.539 6.182 50 10 KKGE Cc1ccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2cccc(Cl)c2)cc1 103152636 HOFPYHMGMDPWLR-ZZIIXHQDSA-N 535.113 6.042 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 103880221 DGRKIYAJGWRLLC-ZSNJKBEMSA-N 584.554 7.936 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 103888373 YPXFLUDQIXUKIY-ODLFYWEKSA-N 560.275 7.588 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 118914444 IDKDEJKAOLGAAX-OYZOLCFQSA-N 604.619 6.173 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 205666779 XHGNITZGCVJKPH-OENVTXSUSA-N 518.544 6.242 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214378185 VXIKHQIBEAVGSF-GTWSWNCMSA-N 572.734 7.532 50 10 KKGE C=C1/C(=C\C=C2\CCC[C@]3(C)[C@H]([C@H](C)/C=C/[C@H](O)C4CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 225605419 DIMYHZDULFSWLS-OHBPNHAJSA-N 641.142 11.150 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(Br)c1 234971488 QQFZEFAAUXNSKT-CQSZACIVSA-N 560.849 6.309 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 252640031 YPUMCYQSCNKYEZ-BBGLMMETSA-N 514.379 5.630 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254419883 MAXBVAYZAFPSLV-UHFFFAOYSA-N 586.652 5.588 50 10 KKGE CC(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C)CC[C@H](C)C(C)C)CC[C@@H]2[C@H]2CC[C@H]3CC(=O)[C@@H](Br)C[C@]3(C)[C@H]12 254589462 GXFFJSAUBRBFMJ-BOZJQROVSA-N 537.623 7.838 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 385159599 UGQMPFVXXUZJOM-NSHDSACASA-N 538.324 7.482 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c(F)c1F 398762656 FMPJILCILFIVMX-QMMMGPOBSA-N 543.822 6.937 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c(Cl)c1Cl 404894316 YGNFNRWBGSFVGZ-ZETCQYMHSA-N 548.736 8.371 50 10 KKGE Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616589850 YZKSRCFNZJJDNX-PIUPZCCLSA-N 676.824 6.063 50 10 KKGE Cc1sc(C)c([C@@H](Br)c2cc(Br)ccc2I)c1C 722487324 OHTOMIRVNQMJPO-AWEZNQCLSA-N 500.037 6.525 50 10 KKGE CON(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 725238858 XZQBRLRNHXZLEG-SHNDFEPQSA-N 674.055 7.997 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817719 YXADDVIQROVGOJ-XZCBWCRCSA-N 630.892 6.196 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl 1083907688 FFQZDPDCNLIRED-VCHYOVAHSA-N 593.248 7.121 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1083908904 WDVJSXFVOXSDBT-UHFFFAOYSA-N 604.798 6.177 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 1083927861 VLVHEHBDFOATLT-UHFFFAOYSA-N 532.232 5.953 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 1083934687 XWCKFEIZKJSAGZ-NDEPHWFRSA-N 504.030 6.014 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1083972471 KMNXGADDMKUUOA-UHFFFAOYSA-N 563.191 6.753 50 10 KKGE Cn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nc2ccccc21 1084191082 YCICHPHJJWKRNE-UHFFFAOYSA-N 509.429 5.157 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc(F)c1 1084273322 DUHGHNRGJQCOSZ-UHFFFAOYSA-N 573.668 7.672 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 1084335893 XDMPITHAIGESET-UHFFFAOYSA-N 570.473 6.600 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1084517813 SEUGHXQPXWULAI-AREMUKBSSA-N 517.582 5.265 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1 1084548094 JSOHWXZSSZJDFQ-UHFFFAOYSA-N 568.699 5.600 50 10 KKGE O=[N+]([O-])c1ccc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 1614642016 KAOAFGFQPIOUNP-PBHICJAKSA-N 501.162 5.008 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747755 QOHGKFCTPGWWTA-UHFFFAOYSA-N 518.367 5.588 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccccc1Cl 1772754092 BQTADRJKYCLLRP-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Br)c1 1772754935 ATZGTSAFAZQHHI-UHFFFAOYSA-N 695.886 8.209 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4cccnc4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 1776010669 GXKRPLQWYWDFQN-CDJHYRATSA-N 618.822 7.805 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 1776010679 NXUDOCUNEVFUGK-IDFQMAMCSA-N 618.822 7.805 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687754 ZMALZXIDCCSNOJ-HKBQPEDESA-N 542.639 6.784 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688498 TZSMONSNMMOZFW-HHHXNRCGSA-N 506.606 5.808 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696779 KIEJNQWTNREVKF-OAQYLSRUSA-N 567.395 6.663 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865705127 MXIGBBYMOGEWLW-QFIPXVFZSA-N 566.923 5.990 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)ccc1O 1865706361 USUOMTOTWWZHMU-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706529 YOQAMSXREUDSKD-SANMLTNESA-N 522.605 5.693 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709566 CXGRMDYAFBGZSW-GOSISDBHSA-N 568.295 5.155 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711645 DIHHUDVVFIMZSU-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 1865715032 UCGJJCBPAVIFAB-NRFANRHFSA-N 548.238 6.282 50 10 KKGE O=C(NCCCBr)[C@@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865897183 OTPQOHLOEDVLJA-LLVKDONJSA-N 553.067 5.409 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867208471 BOXLLPZKKOSZKC-IQGLISFBSA-N 508.043 5.977 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)sc1C 1868208169 UPNWQCFMFVYGIK-UHFFFAOYSA-N 512.708 6.842 50 10 KKGE CC(C)c1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342534 VKQWVLNADHCJJI-HKBQPEDESA-N 533.745 8.366 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)nc(-c3ccccc3Cl)n2)cc1 1868414780 QBFVIMYLSLGLGY-DEOSSOPVSA-N 546.099 8.592 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)nc(-c3cccnc3)n2)cc1 1868564766 FBWYQOFQJPSUCC-VWLOTQADSA-N 526.069 5.928 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)nc2c1 1872728536 HZUXJYYCIKMRQN-GZTJUZNOSA-N 506.345 6.072 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 1872748338 SZKJKINKVHSIKO-NHWCEIRKSA-N 505.426 8.202 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c(C)c1 1872748866 QKJOZXMIIHVWMU-PNHLSOANSA-N 505.599 6.794 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1OC 1872752479 DWSOJULQMPYSAI-RFANMEFZSA-N 513.369 5.825 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2nscc2Br)c1Br 1922893969 IYWNHEPSSHXDTA-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1sc(Br)cc1Br 1922933809 ZPAHVAMTSUINPC-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE CC[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924611620 CWBGCNOVPUOUDR-YUMQZZPRSA-N 525.970 7.934 50 10 KKGE CCCCCC[C@H](Cl)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](Cl)C[C@H](Cl)CCCCCCCCCO[Si](C)(C)C 1933278091 PYMYVJXXZGZEFJ-ABVIYVDXSA-N 664.464 11.582 50 10 KKGE COC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2002408400 OPNKAKPRMBESSL-KPGICGJXSA-N 511.899 6.287 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23CCC(CC2)O3)c1Br 2017155984 CGAYEDHHQKQDLZ-GBZMYTLWSA-N 509.883 6.183 50 10 KKGE Brc1ccc([C@@H](Br)Cc2ccccc2I)c(Br)c1 2083316905 APSUODITBFXEIS-LBPRGKRZSA-N 544.850 6.495 50 10 KKGE C[C@@H]1[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085497225 ZOEJXGVZVRQNPM-FJRWEMQYSA-N 532.242 6.918 50 10 KKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 2170613036 KWLJWGXBVRIACH-OCCSQVGLSA-N 515.027 5.222 50 10 KKGE BrC[C@]12CCCC[C@H]1N(c1ncc(I)cc1Br)CCC2 2189899172 ATRUAHFXBSKTRZ-UKRRQHHQSA-N 514.043 5.373 50 10 KKGE CCc1ccccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404926 ZXZRYOIIIPENHI-HNNXBMFYSA-N 546.322 7.627 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1sccc1I 2213492493 PRMAYZUSDRFDRZ-JTQLQIEISA-N 554.842 6.501 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2csc(I)c2)cc1C 2220438599 PBWMCPWQYWFLLT-ZDUSSCGKSA-N 502.009 5.917 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(Cl)cc2Cl)CC1 2223367682 XRWUKZFMIWOYQQ-UHFFFAOYSA-N 500.204 5.715 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 2225632972 GUZFHFBNPDHQSP-ZDUSSCGKSA-N 583.258 7.046 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2nn(C)nc2Br)c1Br 2226971956 JCSZYCDPBPHQLF-SNVBAGLBSA-N 516.857 5.204 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232512305 NDLCYLSFXDBEEN-LLVKDONJSA-N 524.838 7.651 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCC23CCC3)c1Br 2266134576 XDGMDBZXSXQNJI-CPCISQLKSA-N 580.778 7.753 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2282787424 QAVHELWMZPSWNO-CYBMUJFWSA-N 706.605 7.965 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(Br)c1Cl 2283562369 ORLDAMPABVGGTI-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)c(Br)s1 2285089554 LPEHTTGNVXYNTI-CYBMUJFWSA-N 547.932 7.145 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 2293198455 UGWJYIFRDDCDFS-XMMPIXPASA-N 556.009 6.144 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C 2296706652 FALXMEIRWPSPSF-UHFFFAOYSA-N 624.676 6.601 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2296720919 XHOPUPTYLCCTPD-UHFFFAOYSA-N 579.487 8.279 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCC[C@H]1I 2302813887 LGVLWGHDKKXBCN-CHWSQXEVSA-N 520.974 5.317 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 2313510994 IBFGIXJKUUINQE-UHFFFAOYSA-N 584.195 5.623 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(I)cc1 2313567145 HIFQDARBWPWWSL-UHFFFAOYSA-N 627.910 6.178 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568110 RLWCCFRVGIJZPR-UHFFFAOYSA-N 536.415 5.526 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631198 LYKCOUAYJZOSIP-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593274 KTJXZYYYAVCYHX-MZNJEOGPSA-N 552.483 6.306 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593796 SXBJNDIAFLZDKJ-CJAUYULYSA-N 501.583 5.138 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C(C)=C(C#N)C1=O 2314610523 IZAAGDKUORZIOL-UHFFFAOYSA-N 536.676 6.809 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 2314620168 LFXNDZXLOXTZNN-UHFFFAOYSA-N 640.165 6.016 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sccc1I 2317399374 OBDOIVUXRZNYLM-SNVBAGLBSA-N 524.418 6.653 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C)c1-c1ccc(Br)cc1 2331123640 ZPZHVGQQMRKWSC-UHFFFAOYSA-N 569.477 6.234 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331453734 CUXHDUZMTGBKQN-UHFFFAOYSA-N 506.175 5.834 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Cl)cc2I)c1Br 2340064048 CZGVZLLFHGDNGO-CQSZACIVSA-N 534.844 7.106 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)cc2c1OCC2 2364235045 NJWYCEGWWHYKTO-SECBINFHSA-N 529.852 5.127 50 10 KKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)c(I)c1 2366706646 JFXYZPGHSCKDLO-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 2369431525 SBCDITYONWZEJL-QGZVFWFLSA-N 509.160 5.568 50 10 KKGE BrC[C@@]12CCCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377317477 PUOOSILPXOYBNQ-CZUORRHYSA-N 513.055 5.441 50 10 KKGE Cc1cccc([C@@H](CI)OCc2cc(I)ccc2Cl)c1 2380353293 JSKIQYKLAQWZAH-MRXNPFEDSA-N 512.556 5.946 50 10 KKGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 2887919 JKRJQWKGTCOHIX-BLITYZOESA-N 585.513 5.628 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCC(C)C 38684128 AUBJFQQZKAQLMQ-SANMLTNESA-N 504.970 5.821 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687540 UUZIWWLJWRSMMZ-HHHXNRCGSA-N 508.530 5.409 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C)cc1 58895372 GNKROIFDLFMLMA-NKCUHTBRSA-N 530.665 6.064 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@@H](CC)C2 101193838 YMJFDDZKWIDVDF-XYGUXCPDSA-N 543.472 7.552 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OCC)cc1 101241835 XRZJYCLGYTXPNX-GHIWRQRASA-N 502.423 5.121 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245616 WUEPNHPJUZAHOD-HEQFHQOESA-N 538.456 6.375 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246668 IUZZBIDXKAWBGJ-HEQFHQOESA-N 553.562 5.788 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1Cl 101335323 FTZNBJQPPDHOGD-HZHRSRAPSA-N 531.012 5.220 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1 101339928 FQTAAHHHZLHXKH-OHPNAPQJSA-N 556.622 5.664 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101392519 ZYDSYRTVXMPHQZ-QHCPKHFHSA-N 553.423 6.663 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1 101392919 ORPHTLYGNVLYEQ-JGCGQSQUSA-N 572.617 7.075 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603477 GHLAKRVNSVJHCN-STBIYBPSSA-N 525.219 6.924 50 10 KKGE C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 103627748 YBGHVDHYXSNSOF-JOBSNELWSA-N 532.232 5.708 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103797232 CGYNDNDDEVQWHE-MUFRIFMGSA-N 539.504 6.213 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806237 UXWVXUFALGQVQT-JIMRMWSQSA-N 613.652 5.570 50 10 KKGE COc1ccc(C(=O)[C@@H](Br)CC2(Br)C(=O)c3ccccc3C2=O)cc1Br 105418332 JOKJTGSEPYQXJS-AWEZNQCLSA-N 545.021 5.007 50 10 KKGE CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O 138064169 GOJQFVQXKNNAAY-YSKSLKBTSA-N 568.886 11.312 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 150443046 GGEHGNATWYGUOK-HKBQPEDESA-N 649.502 7.946 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150456047 NVYIRPCVVNUIRJ-DEOSSOPVSA-N 700.830 9.124 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 150485805 OFRNIVFNYMCNGU-JGCGQSQUSA-N 631.512 7.807 50 10 KKGE CCCCO[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 195808689 MNWRNDUNEWYXNI-UHFFFAOYSA-N 591.236 6.948 50 10 KKGE COc1ccc(CCCNCCC[C@@](CN=C=S)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 200029542 GJKATKXKJOCYAD-NDEPHWFRSA-N 500.705 5.720 50 10 KKGE COC(=O)CC(=O)C[C@@H](O)/C=C\c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1 200413602 NEALNHCVMFMQTQ-ISHSZONUSA-N 571.806 7.553 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205781273 CCJLPHKCSANYKR-QVKATGLSSA-N 646.725 5.029 50 10 KKGE CCCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC 206954412 LNZCXGNPGHPNFL-FSGHBROGSA-N 514.578 5.699 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)c2ccccc2c(=O)n14 253497433 CFLHTDQMABEIIR-JYBDTWDDSA-N 602.892 6.995 50 10 KKGE O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)/C(=C\c4ccccc4O)NC(=O)c4ccccc4)nc3c2n1)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 254293934 NSFMTNSQZOBLQC-LKKDCQCCSA-N 794.828 6.037 50 10 KKGE CCCCN(CCCC)C[C@@H](C(C)=NNC(=O)Cc1ccccc1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254383822 MNQLFXZDYAYTFH-DITALETJSA-N 581.757 6.884 50 10 KKGE Cc1cc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(C)n1-c1ccc(F)cc1 254450869 WQUTWQPYCZGIAF-UHFFFAOYSA-N 547.630 7.155 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc1 254738957 PMXCKCPWIVRSAE-BTFHBBBSSA-N 588.664 5.301 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254875721 FVOQBZWALLJNPE-UHFFFAOYSA-N 556.635 5.896 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 312723885 GTROGUPYALWBJC-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616584277 AUHUBWQSDUBDNK-ZLFMQQKDSA-N 602.882 6.424 50 10 KKGE COc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237287 CRVALWDOJLKYOK-NFBKMPQASA-N 522.976 5.892 50 10 KKGE CON(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3O 725238856 XZQBRLRNHXZLEG-CHRZXFROSA-N 674.055 7.997 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1 725399737 RNOKFCLFMKPTAJ-UHFFFAOYSA-N 609.546 5.601 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(=O)OCC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069122 GDQYJABERVWRRO-GCFYJBIOSA-N 659.157 11.556 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 1084035052 RESUJSNFUANXAX-UHFFFAOYSA-N 536.426 5.725 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084039005 VSYIHUDAXICQDG-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084051787 BRBRZHLPBSGVPA-WLRTZDKTSA-N 533.047 6.093 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(I)cc1 1084056337 PGVNSRIDRYRTRY-UHFFFAOYSA-N 651.548 8.129 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)sc(C)c1C 1084064671 OJZUQRKEXNSAPW-XMMPIXPASA-N 525.671 5.312 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1 1084136406 YNEZRGHCVSAOOZ-UHFFFAOYSA-N 579.520 5.198 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2)cc1 1084145466 GUIIIBPCIQFQPI-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084300368 VSCZKZHFYIHFOZ-UHFFFAOYSA-N 514.047 5.173 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084317947 VPUBDSXPNUUQGS-AREMUKBSSA-N 580.479 5.661 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1 1084399874 XWJNESNUPNVMMR-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1084424355 KJAJGHQLNCYHOU-UHFFFAOYSA-N 733.659 8.305 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl 1084471455 QIACLEXIWDRLKO-UHFFFAOYSA-N 523.814 6.920 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1084510808 DKVZZQWENCCCQW-UHFFFAOYSA-N 648.988 9.365 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084594931 SCRVDLLMJRWONN-UHFFFAOYSA-N 552.627 5.827 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1 1772754462 IBXIWEDGWYUNIP-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687217 MCAWXJMQXQSEEP-MHZLTWQESA-N 527.024 5.953 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865690808 BPLYTPCOEXOXDR-DEOSSOPVSA-N 551.485 6.383 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865691429 RUKPMTALVCWOOK-QHCPKHFHSA-N 555.448 5.801 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865695352 BUDIGGIGFYCPTA-RUZDIDTESA-N 551.485 6.383 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865697496 UUQJTKCRIPQONW-HHHXNRCGSA-N 506.606 6.004 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703433 VQRUALJFUBPUQX-SSEXGKCCSA-N 569.105 7.042 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704646 ASFIJPAODQXLOM-RUZDIDTESA-N 557.448 6.316 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705564 ZCUWDLCEKWQKFP-AREMUKBSSA-N 579.415 6.132 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707288 SLTPNGCSOULWCO-GDLZYMKVSA-N 503.650 6.378 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866981471 WUHTZOWDVWGRNZ-IZZNHLLZSA-N 505.615 5.513 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005994 OWOADAUGZDVMCL-SXOMAYOGSA-N 534.081 6.259 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)n2)cc1 1868320107 BKZIOBCMRGWWQO-MHZLTWQESA-N 522.653 6.327 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H](c2ccc(F)cc2)O1 1868413570 AXANWIOXGASONQ-CJAUYULYSA-N 532.044 7.219 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2)cc1 1868528347 RCJVFIRIDSWBPT-AREMUKBSSA-N 544.080 7.090 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4ccc(Cl)cc4)CC3)n2)cc1 1868545482 XQQHUTOWZHRQSC-UHFFFAOYSA-N 570.162 8.459 50 10 KKGE CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1 1868565939 QROUPAHVKIPCAE-AREMUKBSSA-N 506.679 7.494 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747781 TWXYBOUPUZINSO-MBDQKHHZSA-N 505.621 5.419 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747814 UXQWQVZBZKLZCM-FXEAUDGPSA-N 521.598 5.909 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1OC 1872748081 HPETZSGSOOISJA-OFGUMHRGSA-N 510.015 5.365 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccc(Cl)cc1 1872792333 SESCBKVTZNMTGR-KEBDBYFISA-N 502.979 6.844 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@H](OCc2c(Br)cccc2Br)C1 1901795912 VYHVYCHPHKACQX-UONOGXRCSA-N 514.052 5.111 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(I)c(Br)c2)c1Br 1922894716 NUFKJNYYMSZEJC-JTQLQIEISA-N 585.324 7.277 50 10 KKGE CCC(CC)([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923038391 IUHBHMPWMPMCMJ-ZETCQYMHSA-N 507.435 7.731 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)ccc1I 1924044144 SYLLSEYBUZQULC-XLKFXECMSA-N 515.414 6.295 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1c(Br)sc(Br)c1Br 1924613589 KCQIHGSNDQCOHG-SSDOTTSWSA-N 585.324 7.163 50 10 KKGE CC1(C)C(C)(C)C1(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924615222 XWAILQRTJIZSPG-MRVPVSSYSA-N 523.954 7.544 50 10 KKGE Fc1cccc([C@H](Br)c2sc(Cl)cc2Br)c1I 1948829108 QBCSTDWMVIUCGN-VIFPVBQESA-N 510.391 6.392 50 10 KKGE Cc1csc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1950881904 MIIREGSQGATQFP-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982457973 QCJSVIREQCTJOU-LJQANCHMSA-N 502.088 6.387 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2032959278 YSMDOYDPGXBFJC-VIFPVBQESA-N 542.287 7.312 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2085500063 LSQFSGXOPLQSPV-WOKRAHDESA-N 525.304 6.015 50 10 KKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)sc1Br 2090461574 RPVBRBPEUMUBFU-LLVKDONJSA-N 531.889 6.455 50 10 KKGE CC(C)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141473262 NAWVXYWUHQVAQW-CYBMUJFWSA-N 582.794 7.999 50 10 KKGE C[C@@H]1OCC[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475201 KBCUPNKKJWXXNA-RNJXMRFFSA-N 584.766 6.988 50 10 KKGE CC(C)CN1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2222447046 CFAYIBYNIHZTNM-SFYZADRCSA-N 524.942 5.854 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)s1 2233021550 NNYZKJDYLUNUPV-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)c(C)c1Br 2235611721 XUWYOEXLKCHVRA-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE COc1ccc([C@H](Br)c2cc(C)c(Br)s2)cc1I 2257370930 VTAOTWRUCKRTKW-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 2264364364 GMYDBIOIERTHTI-NSHDSACASA-N 509.872 7.073 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)cc1Br 2267242945 SDLPAEUKIZKVQB-QMMMGPOBSA-N 515.826 7.295 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1I 2268318986 ZVKHSBFARQLLCR-NSHDSACASA-N 534.844 7.039 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)cc1I 2269546979 TWLXLRAJECCAJP-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE COc1c([C@H](Br)c2csc(I)c2)cc(Br)c2c1CCC2 2284594630 MDCWHSLZGSKJPB-CQSZACIVSA-N 528.047 6.097 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=CC(Br)=Cc1ccccc1 2293541170 PCCROHJXGHHCSA-UHFFFAOYSA-N 518.440 5.564 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(COc2cccc3cccnc23)c1 2295669881 FIUKGEUYZAGTHW-UHFFFAOYSA-N 541.629 6.340 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313676554 CAVSCDCMHVAGEO-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccccc1 2314478185 IYOWMNSFNFLNRS-UHFFFAOYSA-N 552.055 7.110 50 10 KKGE Brc1cccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501230 VNXWAONIHBISDO-FQEVSTJZSA-N 525.078 7.469 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591959 IMWANMZVDPEJKX-VWLOTQADSA-N 536.484 6.929 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594126 ZKJBEZNUCXWTHA-XMMPIXPASA-N 540.472 6.452 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314616773 JKCIUKAWYRCRIG-UHFFFAOYSA-N 542.639 6.161 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 2314617949 DOGRHTPFSOQFKF-UHFFFAOYSA-N 538.991 5.977 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314618080 GTSSQSFIXIVKEN-UHFFFAOYSA-N 612.089 6.959 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(C)=C(C#N)C2=O)cc1 2314620790 VFRUHQPKXAVUCG-UHFFFAOYSA-N 517.379 5.553 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634593 MDOSQIWOTINGRW-HHHXNRCGSA-N 519.384 6.395 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2314760326 LGHMFLWAWBSZOK-UHFFFAOYSA-N 564.638 6.212 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 2331325149 PMQGMDYXBICRSK-LJQANCHMSA-N 503.624 6.016 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC(=O)OCC)cc3)n2)cc1 2331344836 QJMRAKUQCGIKMD-UHFFFAOYSA-N 506.624 7.644 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2333303815 UMUJCRYNQLRUED-WBKRDIRUSA-N 582.750 6.599 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1C[C@H](Br)C12CCCC2 2341839641 WGEWANLJOUFXNV-KBPBESRZSA-N 500.012 5.667 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)Cc2ccccc2Br)c1Br 2362234378 GTWLUDQDVHIMHK-SNVBAGLBSA-N 505.834 7.289 50 10 KKGE CC1(C)CCC[C@]12[C@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364106830 NBUOFMGUSLHTBV-IIAWOOMASA-N 514.039 6.165 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccccc2Br)c1Br 2365229688 CEQTZPZEMKUMLR-ZDUSSCGKSA-N 527.876 6.775 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Cl)ccc43)cc2)cc1 38686268 NXWGGIWHJOXQSJ-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5F)ccc43)cc2)cc1 38686298 VYMOTNJJSPXOGH-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 38686890 WQPLTYBPEHKRMR-PMERELPUSA-N 518.569 6.020 50 10 KKGE N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 59105188 PMDGDVKTNHODQM-JJIBRWJFSA-N 516.557 6.074 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1O 59304856 OUCCUFPRAKCRLE-STBIYBPSSA-N 518.411 6.083 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)N/N=C(\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 59507615 AIIZQOISAGMTJU-SFDSKYPQSA-N 507.388 5.783 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 96401941 TWBUQQIBVIJJAW-YBEGLDIGSA-N 512.305 5.675 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(OCCOc2ccccc2)cc1 100157826 NZKADTYTNIQMBC-UHFFFAOYSA-N 614.290 5.663 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 100234125 KSXUNNSIVAXMEF-QHGCQYGXSA-N 560.094 6.689 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 100234775 HZOAUHTXTWLMNZ-ABZYITTCSA-N 590.312 6.153 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246273 BLRCSCAIWRDZJL-VWOOYDPRSA-N 552.483 6.766 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337059 MUDQJGSGPUJNDC-CUVDRZIWSA-N 552.700 6.203 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362361 MYPFAMVRYIOGRG-SSEXGKCCSA-N 549.539 5.376 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 101368118 LHQZRZVLNDDNJG-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101372375 OFMKNDXTRROJLA-FLASPHMUSA-N 584.713 7.369 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)cc1 101373661 UMYCKZBGGCORJJ-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OCC)c2)cc1 101373980 HIUUQXSZBQPFHK-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101375780 MWYJJHNBXFBUPB-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378911 WKSBYVLORLNPSB-MGBGTMOVSA-N 560.650 7.190 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381312 AJDUBDVIXLVUPA-YTTGMZPUSA-N 615.513 8.189 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385235 HSDXDKQHBJDBAQ-FHXVRGHPSA-N 613.497 7.726 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387063 SVDULXIJCACVCY-AIKJVNBHSA-N 562.597 6.559 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)o1 101392674 JLJMSLDMNMRWFY-IBGZPJMESA-N 531.804 7.200 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101393557 MRWHDGLHSSBPBJ-QFIPXVFZSA-N 602.293 7.417 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101394178 ZCWCHFTXASFFRL-DEOSSOPVSA-N 581.477 7.443 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101394818 SBMJRUXLSVPBSD-PMERELPUSA-N 587.072 7.800 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6c(C)c(C)ccc6c5C)ccc43)c2)cc1 101398290 WUNSYOZMUDOYBP-YTTGMZPUSA-N 570.645 7.683 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccc(F)cc12 101398553 WPDAKXWHPVZLTG-PMERELPUSA-N 580.999 7.550 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598347 POSSYAWXKXDMIO-NDZAJKAJSA-N 536.357 5.727 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5Cl)c(C)c43)coc2c1 101620417 HKFNNXILEZRWOR-RUMWWMSVSA-N 581.456 5.732 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2cc(Br)ccc21 101647273 HFGVMIIZKPNGGG-FSRJSHLRSA-N 556.545 6.599 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 101710636 FFBILXORHOQFCF-BUVRLJJBSA-N 527.418 7.126 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 102516505 AGRQBNNNUVISSU-BOPFTXTBSA-N 540.929 6.715 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1cccc(C)c1 103563346 QHRFUBUTKYUOOF-KCSSXMTESA-N 606.542 6.742 50 10 KKGE BrCN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103749970 XTXKDLJRXBBSMC-ISLYRVAYSA-N 541.956 5.754 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Br)cc1 103878844 JURMQSFESUYYQU-XICOUIIWSA-N 594.509 7.567 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(COc2ccc(F)cc2)o1 104159593 CQHKSLVAQDPCLO-ZOJKJTATSA-N 534.617 5.018 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1Br 124625922 AQUBEBCWPGXHHY-JTQLQIEISA-N 557.849 7.539 50 10 KKGE Brc1ccc(C[C@H](Br)c2cc(Br)c(Br)s2)cc1 124713130 UTUFWRVBPQVVKY-VIFPVBQESA-N 503.879 6.714 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 150441978 IBLXUFJBBZBYMB-PMERELPUSA-N 631.910 7.518 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484336 BNHIFBXSVBJELC-HKBQPEDESA-N 648.455 6.692 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 164641887 BRTAPUYJAQEGBF-RWPZCVJISA-N 647.254 6.131 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 214326784 OJXMTJYXIWMALI-MODQRLIRSA-N 522.605 5.099 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C/c2ccccc2)cc1 252607307 GZYJQDOVYJGLBX-JREXQGKWSA-N 545.481 5.842 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 252624603 PRMWPOHWRRRITB-CYBMUJFWSA-N 503.312 5.018 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019894 KYSDFTDIRCIJQO-PTIPKSCZSA-N 958.060 10.602 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2)cc1 725405453 LBQQQROXCPOHHF-UHFFFAOYSA-N 544.677 5.147 50 10 KKGE CC(=O)O[C@H]1[C@H](C)O[C@H](O[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@@H]2Br)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1074625821 LBBONFMZVZYTPN-UWONYFLYSA-N 785.681 5.419 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000314 IDKDEJKAOLGAAX-OMDKQRAUSA-N 604.619 6.173 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000319 JBHLEOSHZKKTQZ-OMDKQRAUSA-N 693.521 6.391 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083816744 MHNHIGWCUNOEFZ-WUXKFAKNSA-N 578.822 7.136 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 1084127280 VBXLOKLLJAGKFI-HSZRJFAPSA-N 501.410 5.935 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccccc2C)cc1 1084173795 ORAQPCZFSFOUON-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4)c3C)cc2)S(C)(=O)=O)cc1C 1084215388 LASKSZVGMVDVCC-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE Cc1ccc(NCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)cc1C 1084344564 TVUFDFURCXUKFV-UHFFFAOYSA-N 532.280 5.798 50 10 KKGE O=C(NN=Cc1cccc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084428064 KUSCZAGOLBJKLD-UHFFFAOYSA-N 500.642 5.529 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c2ccccc2cc2ccccc12 1084430720 IYBICSCWECEKGB-OAQYLSRUSA-N 520.662 6.014 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C)S(=O)(=O)c1ccccc1 1084454753 HVRHYDMAFOIKKO-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 1084505374 DMOJNWYOHXJQEL-UHFFFAOYSA-N 517.807 5.853 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084630183 XHLRBOWICXELOS-UHFFFAOYSA-N 555.487 5.990 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(C(F)(F)F)cc2F)C1 1614622368 AOPUKADZNIHWFG-WMLDXEAASA-N 507.265 5.632 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865686850 CLOCCTRPBVBOEP-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686871 DDFYSFGNGKKQRN-MHZLTWQESA-N 508.578 5.249 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OCC 1865687390 QFHUMVQKVCXDSY-GDLZYMKVSA-N 568.649 6.542 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1ccc(C)cc1 1865687912 CYPIEGKYENMSNZ-HHHXNRCGSA-N 506.606 6.074 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865688994 GWGBHSUICZNDRB-AREMUKBSSA-N 577.468 6.691 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690199 LDJNBADZRKWGQZ-HXUWFJFHSA-N 537.369 6.654 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865690957 FWVKHTQNAJXLEH-QFIPXVFZSA-N 543.849 5.671 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696210 CSVVRKMZCNXZQG-GDLZYMKVSA-N 538.623 5.871 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700789 DKXZMMCNYQKQKX-WJOKGBTCSA-N 577.084 7.437 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704119 NPQWVVTZRYSZTM-SSEXGKCCSA-N 547.058 7.429 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865704772 DIVBFIAGQIWEFD-IBGZPJMESA-N 506.887 5.748 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865704813 FIQCWNBUWJVCTL-NDEPHWFRSA-N 575.024 6.639 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707373 VLSWZVGPOPVRIO-HXUWFJFHSA-N 519.816 5.776 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(C(=O)O)cc1 1865709501 WPAHLKKSQVGEQO-OAQYLSRUSA-N 513.351 5.218 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714029 BCARCWUTRVWKMQ-QHCPKHFHSA-N 575.419 5.251 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714591 MWPKFFGNQBGQNH-QFIPXVFZSA-N 534.359 5.737 50 10 KKGE C[C@H](Cl)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905225 FTSOYXAHFXQRNT-GXSJLCMTSA-N 874.420 5.056 50 10 KKGE Cc1ccc(C(C)(C)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866792820 WMQMNCAVOLYOSL-AREMUKBSSA-N 501.652 5.698 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866980741 RFTRPXDZDNYUQZ-KAYWLYCHSA-N 533.719 6.065 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)n2)cc1 1868320584 LDPTZSJVBZLWAH-YTTGMZPUSA-N 543.671 8.060 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)n2)cc1 1868528432 UJVFGURMUUCIAP-MUUNZHRXSA-N 569.134 6.932 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5ccccc5nc43)n2)cc1 1868544403 DHVPRZFSLBEVOT-UHFFFAOYSA-N 528.685 8.000 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC1CCC1 2123245039 DCLJWZTVKXJMMF-UHFFFAOYSA-N 501.284 5.643 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cccc(Br)c1Br 2148751877 RRBGYSIZXKZRRN-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE FC1(F)CC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2212201246 VCRJPZADPAWETC-WVBDSBKLSA-N 503.826 6.312 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2cc(Cl)cc(Cl)c2)c1Br 2232161787 LFEXZUJSTAXNKG-JTQLQIEISA-N 507.900 7.567 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)cc1C 2236016254 QBVVVKIPRZDTCJ-CQSZACIVSA-N 527.876 6.775 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2268287712 QBIJHHXOABCTFC-LBPRGKRZSA-N 536.454 6.399 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277886378 ADUOLVLJJBTPTQ-MRVPVSSYSA-N 528.318 7.865 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)c(F)c1Cl 2283192390 WSQBWCVUGFYLRZ-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(C)c2I)c(Br)c1Cl 2283564236 WQAMGDZDUMADAW-GFCCVEGCSA-N 530.425 6.508 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC 2293202134 HHYNEHCLEFYRPD-UHFFFAOYSA-N 515.557 6.486 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2296553732 LVKGAAZWSVXHIK-UHFFFAOYSA-N 504.970 6.937 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1Cl 2313521262 AMWRNKWPHKGPFR-UHFFFAOYSA-N 511.803 5.913 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 2313568970 ZVMWQMHBXAXNEX-UHFFFAOYSA-N 538.341 5.453 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)sc(C)c1C 2314482628 QDPDGDOEZOSPED-SSEXGKCCSA-N 574.706 7.443 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592387 SFDISNYVPXRXCP-GDLZYMKVSA-N 523.702 7.307 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592589 YGTDAKQRDIEVIR-RUZDIDTESA-N 502.039 6.330 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594005 XLFGTVSIYAAAJE-PPHZAIPVSA-N 564.538 7.420 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703166 NRVLTZNTXQCBTC-UHFFFAOYSA-N 507.524 5.063 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 2331436391 ROCHPSRLCMXFHR-UHFFFAOYSA-N 505.384 7.102 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2331453301 BADYTUVRSPKENR-UHFFFAOYSA-N 525.512 8.122 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCc1ccc(C)cc1 2331454066 RNMKIMCLXZNJCZ-UHFFFAOYSA-N 500.595 7.308 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2csc(Br)c2)c1Br 2339691501 OUPKGEPHFJRDSB-NSHDSACASA-N 533.905 6.837 50 10 KKGE BrCCC[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349835513 XAMAIGHSXAUOOM-ZDUSSCGKSA-N 501.044 5.583 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)sc2Br)c1Br 2365191667 QBGIPEJSMADGEB-NSHDSACASA-N 547.932 7.145 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 32519890 GCEBJSJNFCBEIQ-RPPGKUMJSA-N 502.448 6.425 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)cc1 35351744 NPMXAVWHZKLQKN-KQWNVCNZSA-N 503.624 5.685 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 38608469 UKDSMGAUNRHQAN-DHRITJCHSA-N 517.412 6.673 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38684292 AMNSLFHLJAMFCE-LJAQVGFWSA-N 512.606 6.400 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38684303 YESVQLZQNJBACH-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1OC 40858477 MNOHKYLQVDBXPF-XSFVSMFZSA-N 511.047 6.296 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 59335344 UTSHTAIZVRJSDB-ODLFYWEKSA-N 511.803 6.544 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227671 TWEQCQFAQPJDFQ-UDWIEESQSA-N 583.382 6.031 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 100327979 DQBCTCUENHJAGN-FEGPCZTRSA-N 578.834 5.496 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101033939 UEEQEHHMLVMEHZ-MHWRWJLKSA-N 546.358 6.911 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101338980 KPSJKBCOJDUNSO-UZWMFBFFSA-N 586.667 7.182 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101367663 HOHYREAOPLXICQ-XKDNJIINSA-N 565.453 7.018 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 101377619 RBMVJZXIBPZDHJ-WJOKGBTCSA-N 538.688 7.771 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1 101377847 HUXNSGSUVQEDPL-UFJGDCEGSA-N 564.726 8.170 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380941 YUTQAEJNJHBSJC-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384078 DDDSOFCSACVOPW-PMERELPUSA-N 540.522 5.746 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101385017 GONZUXSIPDWJKO-PPGPUPIYSA-N 629.540 8.287 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389423 JBXXFPQNUCQNGI-PMERELPUSA-N 605.449 7.548 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)oc2ccc(Cl)cc12 101398113 LZEXFRASDMOOQW-SSEXGKCCSA-N 563.009 7.411 50 10 KKGE CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103881040 VZBJSPLYKKIEEQ-ZCTHSVRISA-N 546.465 6.777 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)cc1Br 128731010 ULGYBGRJIFRQGI-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)c(Br)c1 150353709 CIAZSZBMPOHGPB-PKRYOZTKSA-N 700.472 6.865 50 10 KKGE COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1 150549948 DIBRXOVWLFBMAC-XYGWBWBKSA-N 653.160 7.254 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 164018947 WWYZYQKWYNHSDJ-AABVJFSESA-N 690.675 6.687 50 10 KKGE BrCC1(COc2c(I)cc(I)cc2I)CCOCC1 166090706 YYPMDEPKNUOFLY-UHFFFAOYSA-N 662.869 5.071 50 10 KKGE OB(O)c1ccc(-c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)s2)s1 200154263 IWTMEUYYRQOKFA-UHFFFAOYSA-N 620.608 9.763 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 205649857 GYDWYMQGKMYEQT-BKCRTMBUSA-N 544.607 6.420 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)cc1 205780025 TWXKEWMGXGHRKE-BIAHDLMSSA-N 618.715 5.081 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214357058 HWHFYZGBMNSFEH-BRPDVVIDSA-N 595.725 5.249 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 214370435 ZLBVNTQSOFHAEM-BRPDVVIDSA-N 602.691 6.099 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(I)ccc2Br)cc1F 236214274 INIUEYDLPJGBCL-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cc(Cl)ccc1O 252607658 HDNZUOQCYDTACH-IBGZPJMESA-N 557.079 6.023 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc2c(cc1Br)OCO2 252622796 OCSLPEYDLIZGON-UHFFFAOYSA-N 618.815 5.196 50 10 KKGE CC[C@H](Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 252626242 QYXUEKMUXCAYNU-QFIPXVFZSA-N 545.275 6.131 50 10 KKGE CCOC(=O)c1nn(-c2ccc(Br)cc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2/sc(C(=O)OCC)nn2-c2ccc(Br)cc2)s1 253561043 BPKCUQCUQDBOKG-XTGQWXHFSA-N 870.696 9.324 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254500578 CTRAQGGHGZPFNV-UHFFFAOYSA-N 553.615 6.123 50 10 KKGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4ccc(N(CCCl)CCCl)cc4)[nH]n3)cc2)cc1 254757904 BMOSLJUZQDCUDR-UHFFFAOYSA-N 550.490 6.012 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](Br)[C@@H](Br)CC[C@]4(C)[C@@H]3CC[C@@]12C 254759246 MJONUVUVBROXRW-XASVGHFBSA-N 530.473 9.245 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccccc3NC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256019994 QRHNIFAKTODRHC-KSADMFMESA-N 622.398 5.881 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)n3)CC[C@@]1(C)[C@H]2Br 256019996 QSRXNUIGTORKSI-QOVQAEMHSA-N 567.366 6.138 50 10 KKGE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 257157206 PODSSBXKTWSWQL-FYBVKLEGSA-N 510.923 10.360 50 10 KKGE O=C(NN=C/C=C/c1ccccc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 263631211 LKXQFYNEXHRTHS-NCSQGDCCSA-N 517.536 6.597 50 10 KKGE Fc1cccc(-n2c(CCl)nc3cc(I)ccc32)c1I 380502733 ZXVOGHMPLPDHHF-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c(Cl)c1Cl 404839284 JPEKBYZSURFSCE-ZETCQYMHSA-N 548.736 8.371 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2I)c(C)c1Br 724907969 DTXINPHBZJBVHJ-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238519 UJQKAMHHYSEJKX-BGEBIYQKSA-N 511.009 6.165 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)o2)cc1 725413184 TZWVMFVMZGEYLB-UHFFFAOYSA-N 654.539 5.548 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 1084022858 CNQLOVOOYIEXGJ-NDEPHWFRSA-N 608.476 6.386 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1 1084058545 JDEZDSMCBNAFQR-UHFFFAOYSA-N 520.485 7.354 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084256054 ZWDPAJNCJGRHEU-UHFFFAOYSA-N 639.572 5.528 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 1084281792 GJACSOLOUIZVPH-UDWIEESQSA-N 591.437 5.361 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084288005 GHJUZXMEORWTCC-UHFFFAOYSA-N 705.458 7.306 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084463624 ZXZQVNKFLACNID-XMMPIXPASA-N 635.309 6.061 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1084564755 WPWVTFQCSGIDPP-UHFFFAOYSA-N 520.032 7.449 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084582022 MEHGICMXCRFOAM-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720338 KDYYZSQVWMDULV-UHFFFAOYSA-N 642.845 6.449 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)cc5)c(C)c43)coc2c1 1772751866 BMNGHRBFEXXWOP-UHFFFAOYSA-N 503.986 6.256 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2cccc(Br)c2)cc1 1772754907 PATBTGVYBGLYAH-UHFFFAOYSA-N 572.937 7.047 50 10 KKGE CCCCCCCC(=O)NCC(=O)Nc1ccc(/N=N/c2ccc(NC(=O)CCSS(C)(=O)=O)cc2)cc1 1848437232 NWDWFDNOYKTFEH-NVQSTNCTSA-N 561.730 5.539 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665480 MPDRBMWFDJELIO-HJFPCCHJSA-N 742.806 13.221 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685298 HUYFATJOAFBHCZ-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690699 ZBRVFHYOYZSDOP-SANMLTNESA-N 545.470 7.302 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3cccc4ccccc34)cc2)cc1 1865692723 HQXJTFBUEBQEFD-MHZLTWQESA-N 552.556 7.150 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700100 KZWLJYQYSBBXHX-RUZDIDTESA-N 525.971 6.099 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712467 ZFTGEOUJTIFFSS-QHCPKHFHSA-N 502.496 5.747 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713391 XZWOEJBWJLZYDY-XMMPIXPASA-N 533.415 6.141 50 10 KKGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866618067 PXPVDQTYNLYTON-AREMUKBSSA-N 558.635 5.021 50 10 KKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872781824 UHSNMWAEADTPOR-KGENOOAVSA-N 513.449 8.913 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(Br)c1O 1872782322 DKVDJANBENOLJG-CIAFOILYSA-N 503.421 7.408 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)\c2ccccc2)cc1 1873940784 HETQOBPWHOHMJX-ANAQSOOESA-N 514.650 8.784 50 10 KKGE COc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1876918277 DRZDRUMHAUNERF-JTQLQIEISA-N 554.323 7.135 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(I)ccc1Cl 1904943174 SQKDFRMARXKLCK-MRXNPFEDSA-N 565.617 5.180 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915282329 WQRJIRRBXRTTQJ-IBGZPJMESA-N 506.653 6.366 50 10 KKGE FC(F)(F)C(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924584042 SIYUVBCKCALDJH-GSVOUGTGSA-N 531.758 6.669 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cscc1OCc1ccccc1 1939528520 PHVWRGNKKWEYBZ-CYBMUJFWSA-N 557.554 8.051 50 10 KKGE CO[C@H](CCCC[C@@H]1CCSS1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952232078 WZCWLBNSKUQGHD-UOKFIYJESA-N 501.670 5.707 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)c(Br)s2)c(Br)nn1C 2014560402 OAGMRLYDCHONBZ-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE CC1(C)c2cccc([C@@H](N[S@@](=O)C(C)(C)C)c3ccc4ccccc4c3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080761446 INPFKBHUCNWXCW-IZSRLVMASA-N 653.828 9.171 50 10 KKGE F[C@@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501191 WRGZWMUHLKNNFH-ZTNVNUCQSA-N 572.730 7.311 50 10 KKGE Cl[C@@H](Cc1ccncc1Br)c1ccc(Br)cc1I 2086150284 YZLFPUVTASJIST-LBPRGKRZSA-N 501.387 5.734 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC(C)(C)C)c1Br 2123243306 HZNGNNYIQKBNDC-UHFFFAOYSA-N 503.300 5.889 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1I 2146623471 WLODCHSCBZTENR-CYBMUJFWSA-N 511.954 5.612 50 10 KKGE O=C(c1cc(Br)ccc1I)N1CCC[C@H](CCBr)CC1 2149749177 UDGJWFCRXHUGTN-LLVKDONJSA-N 515.027 5.081 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2193095191 SFYYCQAKFIPKNL-DTQPGTOQSA-N 519.402 6.472 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(I)c(Br)c1 2203833169 DVHISEVCGXDUSG-CQSZACIVSA-N 574.876 6.618 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCC2(CC1)CC2 2206395877 QLKBRPHFRPLXNJ-AWEZNQCLSA-N 550.354 7.987 50 10 KKGE Clc1cccc(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397502 JVMSAONBWVRNJM-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)c(C)c1Cl 2224324301 UXMBAIFKAMNFHE-NSHDSACASA-N 518.418 5.542 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2I)c(C)c1Cl 2232513068 WGSNULCMEUGHLL-CYBMUJFWSA-N 528.453 7.003 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(F)cc(Br)cc1F 2233974102 CXYUEXDQNXHSRR-CYBMUJFWSA-N 537.793 6.876 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2234056026 FSYCTWOLNCWBMV-AUKZQPGHSA-N 509.673 6.164 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)c(C)c1Br 2235613304 WJSORPYTGHWMNX-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2256334857 DISIMCQZAJEHAG-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1c(Br)cccc1Br 2278099169 CSYPZXVVPRSNKR-CYBMUJFWSA-N 501.490 7.579 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCCC[C@@H]1CC2 2288995677 FOHVEWGXHYSULF-KBOAJJQZSA-N 550.354 7.987 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293189768 DRKTVCAGZBJALU-UHFFFAOYSA-N 535.379 6.210 50 10 KKGE CN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 2297848692 AMZYKGBQVCYLRJ-QWMRMABFSA-N 555.728 5.781 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313571215 PZKMWHZESPVTEK-UHFFFAOYSA-N 601.111 8.196 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448163 FMWHTYUQQKSPHM-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448877 LFUZJLVXEJFVEW-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1 2314477873 BCOQISUDWDFGKD-UHFFFAOYSA-N 620.713 6.770 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592679 ZZVGFJZSWYLMLA-XMMPIXPASA-N 538.456 6.375 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314617297 VOHKPKBMMPDJCG-UHFFFAOYSA-N 544.586 6.036 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640769 WUURJYHIFACZPM-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1Br 2314737076 KQZGICLBXYWSMA-UHFFFAOYSA-N 600.263 5.428 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1OC 2331294030 HPETZSGSOOISJA-GOSISDBHSA-N 510.015 5.365 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc(OC)c1OC 2331396632 XDXZPMXEPQVCNP-UHFFFAOYSA-N 519.406 6.657 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c1 2331450760 WSPBVVAALANJQN-UHFFFAOYSA-N 504.611 7.624 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331453649 QGEDOWCOEAENHG-UHFFFAOYSA-N 519.497 9.058 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2336072545 NEPOBKFGTFIHGY-SFHVURJKSA-N 506.181 7.593 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1c(Br)cccc1Br 2360417986 NFSNQCZJHJGQGT-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC[C@@H](O)/C=C/C=O 8552325 LQATVQHXAXOSAU-JWFZUSLHSA-O 650.811 6.049 50 10 KKGE in-vitro Cc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)CCCNc2ccc(Br)cc2)o1 9695078 VBRDYBXJGJKDLM-MZJWZYIUSA-N 504.812 5.925 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660932 DAEXGWWDAYKKDF-GDLZYMKVSA-N 504.542 6.315 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100098691 YOHALHIKZLPEBN-UHFFFAOYSA-N 540.483 5.128 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100189160 MGDAZEKFRRIZOR-UHFFFAOYSA-N 625.589 6.127 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100226331 PUTVFTYZAIWQIN-KEBDBYFISA-N 621.302 7.738 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242956 ZPTDDYUBAYFCCL-IKSBWNIOSA-N 516.066 6.206 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 101362583 IANZYNYAJOKYNB-YTTGMZPUSA-N 546.623 6.882 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1 101367299 ONUNOIRJXFKAQW-WJOKGBTCSA-N 579.565 5.385 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101367720 ULJNGNSODAQGKQ-NDEPHWFRSA-N 534.996 5.730 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OCC)c2)cc1 101373984 HIUUQXSZBQPFHK-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 101376955 QBLZANPEMMCIRZ-SANMLTNESA-N 533.422 6.455 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 101378838 NWAOMZAPJCXGCN-YTTGMZPUSA-N 546.623 6.800 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1 101383844 NTFYKGUTOCONLX-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384665 FDRKEZUVKOVERD-HKBQPEDESA-N 587.459 7.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385393 IHAWPFFKPPIREG-MGBGTMOVSA-N 611.094 7.055 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1Cl 101390264 KPLOAMPIVMOHHA-VWLOTQADSA-N 539.415 6.618 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1Cl 101391966 QVWWSESPEAFVQE-HSZRJFAPSA-N 564.252 7.526 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101396488 GSRJXSAWUPXPME-HHHXNRCGSA-N 559.087 7.870 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101397146 YXOIBMXNDSVTHT-RUZDIDTESA-N 545.389 6.340 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2cc1Cl 101397934 ILSBDOPDPCFYJW-WJOKGBTCSA-N 595.026 7.859 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399502 PMXIXULNQPJPOV-IOWSJCHKSA-N 580.568 5.377 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399970 MSIXTHQIOBEWJA-UMSFTDKQSA-N 618.661 7.858 50 10 KKGE N#C/C(=C(\C=C(\CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 101512745 RZESJTSGYIQQFP-UCXPDUAKSA-N 506.508 7.664 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613834 VXMSSZHOXZMOAZ-JJNGWGCYSA-N 535.600 6.154 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12 102006930 CTNMGSBXKWDMBQ-AMVVHIIESA-N 535.456 6.844 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 103649721 WLPOBNHBKJXZNI-QNGOZBTKSA-N 524.484 7.001 50 10 KKGE COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1 103878022 XNCAHQISPLHKTH-HNSNBQBZSA-N 538.003 6.917 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 103880175 WPYQOMAKBKTKIE-ROPCREHHSA-N 611.323 8.253 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(Sc3nc(-c4ccc(F)cc4)cs3)c([N+](=O)[O-])c2)cc1 103910745 KTZCLPUANHDGIO-QUCVJYLXSA-N 580.663 6.371 50 10 KKGE CCOc1ccc(NC(=O)/C(CC(=O)c2sc(Nc3ccccc3Cl)nc2C)=N\NC(=O)c2ccccc2)cc1 106362758 PELJFZTZUXXUAL-BCJTWVECSA-N 576.078 6.245 50 10 KKGE CC(C)=CC[P+](CCC[P+](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 137590190 RNDLULDSMHIYDR-UHFFFAOYSA-N 550.707 8.646 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442097 GDITTYMUIVHPLP-UUWRZZSWSA-N 635.116 8.427 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 214242975 WSCTVRHUKBGLQY-RRAHZORUSA-N 522.649 6.501 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 214387570 VISFHVCVPQZOCX-QFEZKATASA-N 554.562 5.807 50 10 KKGE C/C(=C\C(C)C)[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@]21C 216101097 YRBTULYADOAUMR-LZLFOFGGSA-N 645.017 9.831 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)sc1Br 235860400 HVFAZGQVRNIGCQ-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Clc1cccc(C[C@@H](Br)c2cc(Br)ccc2I)c1 236065326 CTHIBNAKPCHOGR-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE Clc1ccc(I)c([C@H](Br)Cc2ccc(Br)cc2)c1 236069262 KTBMIYMGXMHFAT-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 252613480 JCBQVTQERRPBNZ-UHFFFAOYSA-N 503.338 5.002 50 10 KKGE Cc1cc(OC(C)(C)C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)ccc1Cl 254438509 XEKHOAWCLZAZKO-UHFFFAOYSA-N 521.448 6.521 50 10 KKGE CCOc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1 254578788 JMUFABLDLKVOBG-OAQYLSRUSA-N 514.655 5.217 50 10 KKGE COc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1CSc1nc(C)cc(C(F)F)n1 254592773 HZJHZSIBSASESI-UHFFFAOYSA-N 533.025 6.656 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccccc1 254826766 ZYLZRHIYKRDTOB-UHFFFAOYSA-N 502.665 5.267 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 257443472 IFJUINDAXYAPTO-MDUJBPQFSA-N 720.734 8.524 50 10 KKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)sc1Br 689543223 FCTWHVSGEWXRNS-GFCCVEGCSA-N 545.916 6.845 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4cccc(Br)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1083917471 GBNMAWHKGVZQJH-FSGGQHMVSA-N 606.586 7.066 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1083966550 ZTNHMPDZBWYSPK-UHFFFAOYSA-N 642.328 5.701 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1083967272 DJGDSSMKWPHZET-UHFFFAOYSA-N 565.493 5.202 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 1083995684 FXBFYXMXPNGTPU-YBFXNURJSA-N 511.803 6.544 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(F)cc1 1084039617 KXNXMTPOQSTLET-XQNSMLJCSA-N 520.004 5.713 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084051791 DHXXITQEVXGLLS-GOSISDBHSA-N 660.973 5.459 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084062134 ONSGDHZVTAUFAA-UHFFFAOYSA-N 643.379 8.321 50 10 KKGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084121215 UVGAPBWVGBCQTE-MRXNPFEDSA-N 502.423 5.642 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084209027 DOMLDZZYDMRBIP-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2Br)c(C)n1-c1ccccc1I 1084494756 KHPQMNPEWQYYML-UHFFFAOYSA-N 522.184 5.225 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1Br 1084566732 DQIRLEZJZHJKKZ-HSZRJFAPSA-N 571.269 5.626 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084588158 KXUVLRRVDMHTIV-QFIPXVFZSA-N 583.253 6.141 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748956 HTRUPAUOWWSZTE-UHFFFAOYSA-N 531.384 5.345 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1OC 1772753764 HUBAVBVOVDVENG-UHFFFAOYSA-N 505.453 5.709 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)cc(Br)c1OCc1ccccc1 1772753846 BKFITSDFIYVLOE-UHFFFAOYSA-N 562.258 5.637 50 10 KKGE CCOc1cc(C(=O)Nc2cc(C(=O)Nc3ccc(SC#N)cc3)ccn2)cc(OCC)c1OCC 1860512214 IGEPQRVXPINFIQ-UHFFFAOYSA-N 506.584 5.355 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687881 CJTUNOJHRFODDO-MHZLTWQESA-N 535.003 6.581 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865689700 CPVYNCOKGCODHT-HHHXNRCGSA-N 559.497 7.692 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865690809 BPLYTPCOEXOXDR-XMMPIXPASA-N 551.485 6.383 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865691810 BMCVYSXLNWZRQP-HSZRJFAPSA-N 537.458 5.993 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865694014 NZQCQIPYEIRCJU-VWLOTQADSA-N 564.539 6.285 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865696240 CUSCABKXYIOMRZ-GOSISDBHSA-N 565.346 5.288 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865702830 GIIHGRNSTSYNJE-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866668881 NCEJRKGJEVNSKG-SANMLTNESA-N 577.131 6.476 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866810480 YNQXROXADPZDME-SANMLTNESA-N 549.718 5.087 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867206404 JRNCBGOWOIOLTK-CONSDPRKSA-N 584.141 7.200 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868301701 VHRKQUVHIOLZPZ-VWLOTQADSA-N 512.683 6.187 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 1868320571 LAPMCHXEWJOROB-XMMPIXPASA-N 520.687 7.720 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1C 1872744627 ANLGOHLQNFUGBG-VYIQYICTSA-N 521.598 6.494 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1OCCC 1872818028 JVEPWBAREQXJDT-PLRJNAJWSA-N 508.600 6.312 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccsc2Br)c1 1899879779 PTPUYUVRGFBEBW-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2csc(I)c2)c1 1899892786 MLOLMCJLZVBPLO-GOSISDBHSA-N 564.080 7.179 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1cc(I)ccc1Br 1902317046 VTADPTBINKJYNR-MRXNPFEDSA-N 563.068 5.249 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 1924584182 UQEFIKOLKCXZMG-UTSKPXGSSA-N 507.911 6.908 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c1 1939523272 DDTYEEOFPYCMNI-SFHVURJKSA-N 517.080 7.336 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCC3(CC3)C2)c1Br 1950244422 CJLLGHNYZIFYNM-XPUUQOCRSA-N 507.911 7.052 50 10 KKGE C[C@H]1C([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025779984 NOBSCQVWDWVKFY-LLORDRAXSA-N 554.740 7.075 50 10 KKGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=C1CN(C(c2ccccc2)c2ccccc2)C1 2033817396 DONPZDUMUXZBGQ-UHFFFAOYSA-N 557.742 5.361 50 10 KKGE Fc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079242646 AKDSUGFWVIUEBL-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE C[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085495260 JNQUOULQGLHWLC-ZXPFJRLXSA-N 534.258 7.308 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)oc2C)c1Br 2136384916 VRDHPQHYDHCLII-AWEZNQCLSA-N 515.865 6.977 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cccc(I)c2)cc1Br 2137640750 SCRBTZULQYEWPR-CQSZACIVSA-N 516.398 6.200 50 10 KKGE CO[C@@H]1CC[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467994 FQSAQTPPMFRCBZ-WQGWLQIFSA-N 540.315 6.832 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)o1 2141469115 RNJGXPIXAQGROF-NSHDSACASA-N 580.734 7.431 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1OC 2150344725 RDDIIIWCNBBALW-LLVKDONJSA-N 505.453 6.428 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2182022431 RZGLFBAQWBAKLJ-XNSGURDHSA-N 521.418 6.673 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2206395746 QCGKGFDAKZZHEN-PELKAZGASA-N 594.805 8.143 50 10 KKGE CC12CC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CCO1)C2 2206395863 QHUKYXYQQFCJHW-HSBZDZAISA-N 596.777 7.132 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC2(CCC2)CO1 2206397311 HUVDBPULSLWQIU-TVQRCGJNSA-N 552.326 6.976 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@H]21 2206397818 NCBJDEPCGUUWGQ-SNDWFZJGSA-N 602.731 7.464 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cscc2Br)c(C)c1Br 2220156501 ORIPCDYACQUPCS-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(C)ccc1I 2224056354 WJXOZHCOLCUTLF-CQSZACIVSA-N 500.037 6.470 50 10 KKGE C[C@@H]1C[C@@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2234071165 WIENLJBTRPMQRU-GDBMZVCRSA-N 511.689 6.178 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2c(F)cccc2I)s1 2255967097 XQPUAWSLNJVSKK-GFCCVEGCSA-N 504.000 6.301 50 10 KKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Br)cc1I 2257371454 BDKWIKOFTXFFEM-LLVKDONJSA-N 522.427 6.215 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1I 2269546980 TWLXLRAJECCAJP-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1I 2269558102 XSYPPJQQLWMYOL-CQSZACIVSA-N 560.849 6.309 50 10 KKGE Fc1cc(C[C@H](Br)c2cc(I)ccc2Br)ccc1Cl 2277908803 DNUSFKQKUDKDCB-LBPRGKRZSA-N 518.389 6.525 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cccc(Br)c2Br)c1 2277963442 UTVQCBOMTZAICV-ZDUSSCGKSA-N 576.746 7.415 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507148 VQISTNWAYBRWSF-HHHXNRCGSA-N 530.093 7.056 50 10 KKGE CN1CC(=Cc2ccccc2Br)C2=C(C1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504859 CEKAVJKMBDFHIL-OAQYLSRUSA-N 513.233 5.302 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)s1 2301794102 JZYQESZKXJDDSN-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12COC[C@@H]1C2 2312063877 IAMWEZDGJBLFME-WQAUNQLMSA-N 524.272 6.053 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313567439 HKBSYSTVYRHTQU-UHFFFAOYSA-N 545.204 5.571 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 2313570981 KSNOEGKZPUOMSD-UHFFFAOYSA-N 538.387 6.763 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592570 XVVORQMQPSLEJM-NDEPHWFRSA-N 525.674 6.446 50 10 KKGE COCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(C)=C(C#N)C1=O 2314618253 KETLTJJELXHJDB-UHFFFAOYSA-N 515.393 5.210 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314619587 CBWPFIBNQJLEPS-UHFFFAOYSA-N 516.576 6.088 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 2331377087 GMLJKTXLKXPCPM-UHFFFAOYSA-N 512.031 6.001 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2331439688 BUGQDJKRYAGOND-UHFFFAOYSA-N 517.876 7.868 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OC 2331473943 PZRCUEDSEYPHIQ-UHFFFAOYSA-N 506.668 7.639 50 10 KKGE CC1(C)CC(CBr)(COc2c(Br)cc(Br)cc2Br)C1 2344972672 SIIJCUWSBBVQOT-UHFFFAOYSA-N 519.897 6.554 50 10 KKGE O=C(CNc1cc(Br)c(Br)cc1Br)N/N=C/c1c2ccccc2cc2ccccc12 3170486 ORELFAZLGGJBPV-KVSWJAHQSA-N 590.113 6.843 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(OC)cc1 13138501 WPZNUPZPEWSDNO-UXHLAJHPSA-N 517.582 5.062 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1OCc1ccccc1 27520595 YDBACQSPJYMKRP-FDAWAROLSA-N 506.562 5.590 50 10 KKGE COc1ccc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 33355961 JCLUIYQLVRUUIJ-FACWTISKSA-N 724.656 5.929 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc2ccccc12 38657702 MPULYIYZATWIRL-MHZLTWQESA-N 517.368 6.349 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38676730 NIGWFRZZPVWLET-PMERELPUSA-N 504.542 5.854 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1C 38678817 XXSGXNRFKVJJMW-RUZDIDTESA-N 505.368 5.269 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC)c(OCC)c1 38679402 YOYVYYAQBMVNRB-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OCc1c(Cl)cccc1Cl 40911618 FSOOCFUYPMTJAU-KVSWJAHQSA-N 507.801 6.072 50 10 KKGE N#C/C(=C/c1cn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc12)c1nc2ccccc2[nH]1 50568405 WXVWOGQXOPNIPI-FXBPSFAMSA-N 502.578 5.057 50 10 KKGE O=C1/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc2N1Cc1ccc(F)cc1 59167063 MFXXQXQGNJNJQU-BYNJWEBRSA-N 510.407 5.172 50 10 KKGE C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 59372472 OMCNJBIGGZJQCR-CVKSISIWSA-N 510.830 5.383 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1 100239047 ROHLEKYOZOMKDV-YNAQZEJMSA-N 558.416 5.233 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 100327524 GRZKQYWDCNHNDZ-WHXCVRPHSA-N 623.285 5.605 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 100452084 WSQLELKMRIPTRW-LKHJKXADSA-N 570.698 6.952 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)[C@@]13CC[C@@](C(Br)Br)([C@@H]1Br)C3(C)C)C2 100935362 CWODUSGLWSUECA-AUOBYOPFSA-N 554.161 6.418 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034147 TWTORWQZVVEOFW-RIYZIHGNSA-N 559.352 8.566 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113216 YMBPDYAAWYCRRD-UXHLAJHPSA-N 598.251 5.746 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101307380 WWHQYOJVMFRAMI-RUZDIDTESA-N 523.372 6.004 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1C 101333253 FRINOXRNMOIVMA-ZXVVBBHZSA-N 520.633 6.195 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 101336370 IHOWIFKNUPNOBY-ZMOGYAJESA-N 535.991 5.389 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101341240 CWEOKRDAHQUUJT-MTDXEUNCSA-N 530.584 5.238 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCC(C)C 101374319 KZACBLSZQYUXMT-XDBZFTIUSA-N 532.568 5.460 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380118 FETQIWAPISAJTL-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385941 POEUJRCQUUBAES-JGCGQSQUSA-N 583.040 6.302 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 101387979 NHLHYGBEGVPSPW-UMSFTDKQSA-N 590.676 7.199 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Br)cc1F 102776949 YIDVYOCYTSZLDA-YFYZNPQRSA-N 530.265 6.250 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 103451256 QIAJTOOMSSZFNU-NDZAJKAJSA-N 528.677 8.595 50 10 KKGE Cc1cc(C)c(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 105566555 AXVIEEJJDHZDHD-QYQHSDTDSA-N 535.607 5.964 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1 164617455 NNNDDJYHEUPNSS-NNLKUIAGSA-N 730.444 8.891 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)C1=O 214239891 YEBLJKLTXMBHEI-UQQQWYQISA-N 509.566 5.620 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 214315427 GLIZWBNFRBAIBV-PKAZHMFMSA-N 518.573 5.714 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(I)ccc3Br)ccc2O1 235413398 MDLHIGGCHWNYJM-ABKXIKBNSA-N 507.991 5.861 50 10 KKGE CC(=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 252623865 PBCLXCIGMWAKTJ-UHFFFAOYSA-N 588.833 5.857 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 253578223 YBPNZQWMUNKUDU-AWSUPERCSA-N 553.757 7.047 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)c2ccc(C(C)C)cc2)cc1 254734280 NPCXNXQNQSHLLE-UHFFFAOYSA-N 549.696 6.770 50 10 KKGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 254843976 FASIARBRAXJVET-UHFFFAOYSA-N 594.649 5.673 50 10 KKGE CCOC(C)(C)O/N=C1/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H]1C 409421682 SFTHBPKNOPSKEE-AMXKUZOESA-N 993.479 7.734 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 719534892 JGVZNUQCSGEACC-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721589391 SYCJYAYQHHNVBZ-CQSZACIVSA-N 550.843 6.853 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 725408848 UHCDRCBBCZLXBO-JUQAGETLSA-N 641.186 12.671 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 725427998 REDYSZSVYNYVRQ-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE CC(=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725432462 ZWWCKCDWSNXVMK-LZRJDNKJSA-N 659.639 7.940 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817677 XIJUVZWMRLQMRZ-WFICZXNWSA-N 834.994 7.822 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1 1084044291 ACIRAXYVLKYOCA-UHFFFAOYSA-N 669.563 8.107 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(Cl)cc2C)cc1 1084128514 ONHZJUBXRAUNFF-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1c(Cl)cccc1Cl)c1ccccc1 1084137236 RHWWYUWPZYQLDZ-UHFFFAOYSA-N 571.280 5.110 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 1084283243 HJZQASDRKQLBNC-QFIPXVFZSA-N 583.253 6.141 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084650464 WLXDDRQVBVPMMR-UHFFFAOYSA-N 652.093 6.971 50 10 KKGE Nc1cc(C(F)(F)F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 1614640123 FDPQVEXUWYVEFS-RHSMWYFYSA-N 504.290 5.075 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCc1ccccc1 1772755200 UKGSESBKTABHGE-UHFFFAOYSA-N 582.545 6.445 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683277 BXQPCBXNMBKBFZ-QHCPKHFHSA-N 549.414 5.846 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1c(F)cccc1Cl 1865686273 TWWBCFFLDCDSRZ-OAHLLOKOSA-N 517.697 6.268 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865688138 KFLBZGBRXTZZQZ-GDLZYMKVSA-N 512.613 6.595 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693263 MPTDUKHOTGMSQT-NDEPHWFRSA-N 506.606 5.939 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865695092 JQOHZEMWGVCACW-GDLZYMKVSA-N 522.649 6.774 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697785 BTABBJITTFYFAJ-QFIPXVFZSA-N 541.421 5.409 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702519 BGTOOGYYNNVMSY-MHZLTWQESA-N 563.460 7.127 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704948 IPFVKOPVSCJEPM-HHHXNRCGSA-N 538.579 5.469 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705364 TXCZNVARULNVHR-HHHXNRCGSA-N 520.589 5.579 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865707242 RQXNEZMGMVWHRX-RUZDIDTESA-N 547.556 6.334 50 10 KKGE COc1c(Br)c(C(=O)Nc2ccc(SC#N)cc2)c(Br)c(OC)c1OC 1865879962 NTNONJFGNYGGEC-UHFFFAOYSA-N 502.184 5.063 50 10 KKGE CSCC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866589307 UTUSMULRZHFKJC-JOCHJYFZSA-N 526.709 5.023 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866774979 DZWUZMVXFQALIB-WDYNHAJCSA-N 541.623 6.426 50 10 KKGE C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866942676 RIIUCZBAXVCQLO-UZUQRXQVSA-N 508.441 5.492 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433607 OGZXGGHUZPOEHG-VWLOTQADSA-N 531.016 5.930 50 10 KKGE C[C@@H](/C(O)=C(\C#N)c1nc(C(C)(C)C)cs1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1872747422 BYNOEVOYNZVEBQ-XVVHMMQBSA-N 519.237 6.532 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 1873792822 NZTXCUIXAYFKNM-STBIYBPSSA-N 504.027 5.463 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Cl)c(Cl)c2)c1Br 1922886492 XJALCBSMPUCLCU-MRVPVSSYSA-N 507.900 7.567 50 10 KKGE O=S1(=O)CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923068482 SBHJPEPQMUBSRD-SSDOTTSWSA-N 501.487 5.187 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924593049 BQFZTBBIQYWWKL-SECBINFHSA-N 558.742 7.780 50 10 KKGE Cn1c(Nc2nc3c(O)nc(=N)[nH]c3n2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)nc2ncc(-c3ccccc3)cc21 2080517794 QFWQJWQPTWUGTJ-KKUQBAQOSA-N 718.024 7.336 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2083317418 GGIQGIXFMOWCKW-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(I)ccc2Br)c1Br 2138866812 VNYXEKSMKZIQMQ-CQSZACIVSA-N 579.295 7.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2CCOCC2)c1Br 2141471724 VIJNXKXMBJBOJO-QMMMGPOBSA-N 584.766 6.989 50 10 KKGE CC(C)(F)[C@](C)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471788 WBXUWVXVMMFWTA-CMPLNLGQSA-N 548.285 7.493 50 10 KKGE Clc1ccc(COc2c(Br)cc(Cl)cc2CBr)c(Br)c1 2144773987 MSIXRKXZFVZBSR-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(Br)cc1Br 2148686028 SWDDEZVYRNIESY-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(I)ccc1Br 2163745856 MFVBPLMUEBVNQR-QWRGUYRKSA-N 515.027 5.127 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1 2179258291 CFIANAHXQUWERG-JTQLQIEISA-N 513.398 7.430 50 10 KKGE FC(F)(F)C(F)(F)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395460 OGSFNYZZJVILMG-YFKPBYRVSA-N 574.201 7.604 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1I 2212998587 BRZZWAGLFPGGBD-NSHDSACASA-N 550.879 6.670 50 10 KKGE FC1(F)CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2252725346 XDMBNKFAYKMEGY-INEUFUBQSA-N 517.853 6.907 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1I 2256337230 QYHKUPQHDBOYQG-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)c(F)cc2Cl)c1Br 2270434389 LWACCPSQMAIJJT-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE COc1ccc([C@H](Br)Cc2ccccc2I)c(Br)c1Cl 2283558810 COBVYVRESUEMOA-LLVKDONJSA-N 530.425 6.394 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293972323 CMFABTXPXCJNAY-UHFFFAOYSA-N 513.937 5.250 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)o2)cc1 2296500326 HMWCPKXBXOBBCJ-IBGZPJMESA-N 560.672 6.812 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1 2313564848 BJJABBWGVDHMJI-UHFFFAOYSA-N 569.130 7.794 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1 2313568308 UGCNHQXGDOGDBB-UHFFFAOYSA-N 546.465 5.683 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 2313568378 VJJPFBWQZMYSQY-UHFFFAOYSA-N 516.439 5.592 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314451255 CZDKLGDSTYVXPZ-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314456839 BKKJQHMLLHKVLF-UHFFFAOYSA-N 502.220 8.204 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314609997 BOZOOBBIPFIHEO-UHFFFAOYSA-N 588.683 7.430 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314611721 ZHVTZGYNQLQJLU-UHFFFAOYSA-N 556.666 6.757 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314618129 HSAUFVOZURJUOQ-GDLZYMKVSA-N 605.094 6.543 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640751 VUOYOOAQLOOMMY-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643184 GJKVHQNSCNRAHM-PGUFJCEWSA-N 604.678 7.548 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2314739932 BUYKIIVGPXRRBE-UHFFFAOYSA-N 534.568 5.709 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271653 WRIRHUKTAJPGPM-XMMPIXPASA-N 511.990 6.164 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311808 AHFDGLIKSQOZSI-ZSEKCTLFSA-N 512.418 6.620 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCC)c(OCC)c3)n2)cc1 2331459742 QROLHJINWLFJNI-UHFFFAOYSA-N 518.723 8.801 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336075358 ORDZCRVBXAOMIY-OAQYLSRUSA-N 559.523 8.237 50 10 KKGE Cc1sc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1Br 2362238239 VAJMWCVMBBGNPM-NSHDSACASA-N 570.341 7.929 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cscc2C(F)F)c1Br 2362246619 BZLFGJLCHSFPOU-VIFPVBQESA-N 513.398 7.488 50 10 KKGE Fc1cccc([C@@H](CI)OCc2c(Br)cccc2Br)c1 2366144593 HKTVOXKCPJRWQD-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE Clc1ccc(I)cc1CC(CBr)(CBr)C1CCCCC1 2380529407 OFRKKITWNCPLII-UHFFFAOYSA-N 534.501 6.844 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nc2sc3c(c2c1=O)CCC3 3246056 PVSCXXSZXCFTLP-JJIBRWJFSA-N 528.684 5.859 50 10 KKGE CCC/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 12491463 UVMBBOAFMDADIN-NCELDCMTSA-N 504.222 6.064 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13980384 AXVYNEDXPHTGAJ-HXUWFJFHSA-N 501.627 5.590 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665590 GGVGZLZESNWVOD-LJQANCHMSA-N 525.443 5.424 50 10 KKGE Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)[C@H](Cl)c3ccccc3)[C@H](C)C2)cc2ccsc21 35844203 FDXNEFWQWVGSLM-CJFMBICVSA-N 506.071 5.713 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684202 VVDKTWLTWPFHBL-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701115 UDKSFHIVGJKPQT-WUFINQPMSA-N 512.562 5.075 50 10 KKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1Br 40912159 XXCFDAKUXIYVDE-WYMPLXKRSA-N 506.194 5.293 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc1 60028472 YHSTXGTYOQSNQX-CGOFDSBDSA-N 588.664 5.301 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 100181856 PNDCTDUXJVKWFX-KRWDZBQOSA-N 550.519 5.102 50 10 KKGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 100207482 PVIRQXSARULGPB-UHFFFAOYSA-N 617.525 5.272 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207583 ZOXAMLHEOFTHAH-LJQANCHMSA-N 592.515 5.327 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 101370901 QGZXVLSBGWATNM-LKYAVPRHSA-N 532.210 7.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101375005 PGCLKSDZCZDVGH-SNSVSFJOSA-N 580.725 7.645 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384650 SCQWCTRFKSQXTC-SSEXGKCCSA-N 618.429 6.683 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386064 WRWAVUYMRTXQFS-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387493 CJBDGEPGDNTSDK-KDBUODIZSA-N 613.497 7.726 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1Cl 101394068 PNOZOSWRFQZRJN-QHCPKHFHSA-N 574.258 6.982 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 101394239 DVUSVTTXGBPEGZ-HHHXNRCGSA-N 589.442 6.739 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)oc2ccc(Cl)cc12 101394353 SWYQLJIUTORMSD-QFIPXVFZSA-N 525.775 7.139 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCC)c(Cl)c3)ccc21 101395045 SPGXRBDCYANFNL-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101395923 XLNLWJPLBNRGSX-JGCGQSQUSA-N 580.681 7.845 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493327 XDNDTCLZHUMCEA-UHFFFAOYSA-N 532.222 5.119 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 103741668 CFIXAAZZMJWZGT-FNBPXTNNSA-N 538.854 6.167 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1 103879436 VJXXUXJZGOBFSB-XODNFHPESA-N 572.253 6.618 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(O)c1 104769510 KPRZJQOJBRKPSC-AWSUPERCSA-N 556.736 5.627 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128868426 SYVBZDUAVBPFKJ-GFCCVEGCSA-N 533.905 6.919 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150406239 XSCXHOSUVNVXOH-UHFFFAOYSA-N 702.263 6.267 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150461693 UMWNLHKSRRJUBW-JOCHJYFZSA-N 672.776 8.344 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 150482156 YDHXVOXUTGUFDI-PMERELPUSA-N 635.931 8.452 50 10 KKGE C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 197186461 LDUCAYFXHYLHLP-HKBOAZHASA-N 541.071 5.919 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 205782598 MUJOXRGACXIILZ-PUFQGMHOSA-N 662.768 5.643 50 10 KKGE CC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@@]1(O)[C@@H]1Oc4c(O[Si](C)(C)C(C)(C)C)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 206560603 JSASBOULOIZLBF-OZXYTOOLSA-N 567.887 6.438 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1)C(=O)NCc1ccco1 206690553 UVZWZCWEKYXEED-DKNUBVCXSA-N 504.542 5.701 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1 263626432 GEFQEVUNJRPGNM-AUJIGLESSA-N 568.580 5.171 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Cl)cc2Br)c1Br 312905348 YTFDGNDGPDOKHG-SECBINFHSA-N 513.398 7.430 50 10 KKGE CCOC(=O)N=c1ccc2c3ccc(NC(=O)OCC)cc3c(-c3ccccc3)n(CCCSS(C)(=O)=O)c-2c1 504703495 PDNLECARKRNSID-UHFFFAOYSA-N 581.716 6.122 50 10 KKGE in-vitro C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)CCC(=O)O)[C@@H]5CC[C@]24C)[C@H]13 653746723 WMMVXGJLDJEYNN-QXKDMBRNSA-N 586.741 6.085 50 10 KKGE C[C@@H](CBr)[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696714225 SENGBIAMVKLQFS-IINYFYTJSA-N 515.027 5.079 50 10 KKGE Oc1nc2cc([C@@H](Br)c3scc(Br)c3Br)c(Br)cc2[nH]1 705467896 XWJYQNAJZBFPEB-SECBINFHSA-N 545.876 6.102 50 10 KKGE CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C2(CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239112 WWLOWVWWYJCRSX-PXDATVDWSA-N 657.155 5.587 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C 725443634 HXNAWWKBNVMQAA-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725447407 GYDQWRDFUFCENX-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2ccccc2o1 1083952877 KDIQOMYKZIDTMR-UHFFFAOYSA-N 572.209 6.029 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1084001201 HKQIOHGQKLCGNM-PXLXIMEGSA-N 534.418 7.665 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084024991 QMYYYBCOPWHRNK-FSGGQHMVSA-N 562.135 6.957 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1F 1084062863 SPFZOMATCHCEPK-UHFFFAOYSA-N 568.048 7.597 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 1084074322 DZVYKXGEKIYRPU-JOCHJYFZSA-N 576.285 5.763 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 1084137148 FJQLMTXJPXKSMX-SANMLTNESA-N 551.868 6.799 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccc(Br)cc1 1084139698 QJLMLIMGMOVGLP-BOPFTXTBSA-N 542.773 6.144 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC 1084164198 DHHKJZNALCHRKU-UHFFFAOYSA-N 653.599 5.258 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1 1084221621 WEPFKNIPEDHKFX-UHFFFAOYSA-N 615.608 6.777 50 10 KKGE C=CCOc1cc(Br)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084228183 XUVIQTYYTXLFPL-UHFFFAOYSA-N 544.449 6.553 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1I 1084283335 XUQSXMAPIZBFNM-UHFFFAOYSA-N 515.738 5.159 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084335830 XUJFGLMJRYBZQR-UHFFFAOYSA-N 583.483 5.341 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(Cl)cc2C)cc1 1084580377 YUDOSTBRJOAQHL-UHFFFAOYSA-N 577.150 6.327 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084604263 RFBNBBKDVPIVIQ-XMMPIXPASA-N 610.332 6.706 50 10 KKGE CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 1614653305 WOWFKDPBJRSLGK-YPXGIFEZSA-N 509.675 6.170 50 10 KKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)c1 1772743895 NFWCCFALMUVVQD-UHFFFAOYSA-N 532.394 5.897 50 10 KKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 1772743909 NURZZGXPUDSRON-UHFFFAOYSA-N 505.618 6.209 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)NN(c3ccccc3)c3ccccc3)c(C)c21 1772745924 KXFXSZHVKCPTLO-UHFFFAOYSA-N 508.578 5.550 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 1772760357 FYOVNVRUSPQHLW-UHFFFAOYSA-N 546.501 6.823 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1CBr 1857786688 XRSXBFMWGVTBSA-SFTDATJTSA-N 518.568 5.336 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1 1865684710 WFEAUTGQXIHQEZ-GOSISDBHSA-N 503.322 5.548 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688789 AUSSUONBOPIYLZ-NDEPHWFRSA-N 575.496 7.246 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691824 CEOOPVHDVKXIKE-RUZDIDTESA-N 528.996 5.496 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865692222 CZFDONPSXOBELU-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695640 QZDNQHWCULQVEU-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE Cn1c(SCCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867074124 CEIXCWDGUKRBPC-XMMPIXPASA-N 560.680 5.043 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3cccc(Cl)c3)CC2)n1 1868300567 FIQFOKKJRAWJGI-UHFFFAOYSA-N 528.081 7.470 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1C 1868365494 QLKBURXVVGRFKB-RUZDIDTESA-N 521.646 6.629 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c1 1868455756 BGJYWZOSRIOLPG-UHFFFAOYSA-N 518.621 7.641 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCC(=O)N(CC)CC 1872792375 VLSYXZFVIBVIQG-UDWIEESQSA-N 509.603 5.668 50 10 KKGE FC(F)(F)c1cnc(N(Cc2ccccc2)[C@@H](CBr)C2CC2)c(I)c1 1915192569 FDEQATAYZMLQOY-INIZCTEOSA-N 525.150 5.885 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)ccc1Br 1922895902 ALDFBHRZKZFUPQ-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Brc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922943684 WKEKTSRJJBIIQB-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE CCCC[C@@H](CC)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583295 IHIPLASOKBQUME-VXNVDRBHSA-N 511.943 7.688 50 10 KKGE Brc1cccnc1C[C@H](Br)c1scc(Br)c1Br 1924865849 OHLYUQRQLGVFEK-ZETCQYMHSA-N 504.867 6.109 50 10 KKGE Cc1ccnc(COc2c(Br)cc(CBr)cc2Br)c1Br 1927026817 YDFILMCNQNTDPI-UHFFFAOYSA-N 528.864 6.151 50 10 KKGE CCC[C@H](CCC[C@H](O[Si](C)(C)C)[C@H](CCCCC=C[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C)O[Si](C)(C)C 1933278078 JYEGXNRWPXAYNW-DNOAQWIPSA-N 750.448 10.310 50 10 KKGE Brc1cc([C@H](Br)c2csc(Br)c2Br)c(Br)s1 1937734310 GUIRCPRMNWDWOO-LURJTMIESA-N 574.777 7.344 50 10 KKGE Clc1cc([C@H](Br)c2csc(Br)c2Br)sc1Br 1937735011 UFERORCUHFSHDU-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccccc2I)c(C)n1-c1ccc(Cl)c(Cl)c1 2053623326 ROHOGWPYTHBERH-UHFFFAOYSA-N 536.200 6.551 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(I)c1 2082377637 SMPARDUFLOWFLP-CQSZACIVSA-N 500.399 6.500 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085499171 SBAKYURQSLGDSS-UHNVWZDZSA-N 578.709 7.464 50 10 KKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1)C(C)(C)C 2123370649 RJDXZNMKYMLQSM-HNNXBMFYSA-N 503.300 5.970 50 10 KKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cc(Br)ccc1I 2139641676 BTLXKXLDHODMDB-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE COCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141468922 PFXOWQZCANIRFH-LBPRGKRZSA-N 584.766 6.989 50 10 KKGE Clc1sc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141470925 MFXIPAAINDUKOF-JTQLQIEISA-N 682.089 8.698 50 10 KKGE CC1(C)[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141473213 MNIFZZRKDSUSMG-UWVGGRQHSA-N 590.720 7.464 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2203829527 KCRIPAISBLGSLS-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206408238 HYFODMNQNPYWFJ-CQSZACIVSA-N 611.191 8.136 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2207271106 GHUVCTOQUKGAPA-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(I)c2)c(C)c1Cl 2217612656 HAWOZLZESGVONN-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCCCN(Cc2ccccc2)C1 2234063760 DTAUGGYQCJDUQP-MRXNPFEDSA-N 511.689 6.527 50 10 KKGE Cc1cccc([C@H](Br)c2sc(C)c(C)c2Br)c1I 2253472772 FQCNMFKLXDXBIP-LBPRGKRZSA-N 500.037 6.525 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c(Br)c(Br)c1O 2295483054 VPAFWVUCEAYEGQ-UHFFFAOYSA-N 630.337 5.303 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c1 2296720328 QNZFCULNEWFNPH-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)C=Cc1ccccc1 2296908758 BROYUTUZQKOFRJ-LJQANCHMSA-N 586.503 5.367 50 10 KKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)o2)c([N+](=O)[O-])c1 2314488794 OYMBVSUGRZTVBC-UHFFFAOYSA-N 560.385 7.220 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2)cc1 2314548628 IHNPRJHSOJFUBO-UHFFFAOYSA-N 543.442 7.264 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593425 MUIIKVJLPHCAPR-UZTOHYMASA-N 564.538 7.420 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314617014 OZYVQZBZJVOMFT-UHFFFAOYSA-N 534.619 6.527 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 2314618421 NGXDBRAEHAYLIW-UHFFFAOYSA-N 528.584 5.096 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314619551 BCWFFXSUQSVLNT-UHFFFAOYSA-N 593.152 7.877 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 2314634088 KYORMRHFSBQICP-MHZLTWQESA-N 519.428 7.128 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640732 TWBADGDCYATTLS-HKBQPEDESA-N 552.989 6.895 50 10 KKGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314737324 YJENEVKHQPNJLH-UHFFFAOYSA-N 526.589 5.335 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1scc(Br)c1Br 2335374298 PHFSATUQSHJDET-VIFPVBQESA-N 576.732 7.966 50 10 KKGE FC1(F)CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349807550 IIZXTNGEUGCGGA-MNOVXSKESA-N 507.982 6.185 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1I 2363892820 YBWNBYVZFCKNLB-JTQLQIEISA-N 560.398 7.272 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1F 2364051788 SFOCHVIDDSKUGT-SECBINFHSA-N 533.859 5.948 50 10 KKGE Cc1cc([C@@H](Cl)c2c(C)cc(Br)c(F)c2Br)ccc1I 2365229854 DVBXVVRDIDJBMY-CQSZACIVSA-N 532.416 6.900 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)c(I)c1 2365598253 PPVDBOYIWGQHGS-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Fc1ccccc1[C@@H](CI)OCc1ccc(Cl)cc1I 2365644898 JCAKPNHDFHKCBJ-OAHLLOKOSA-N 516.519 5.777 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 38606866 XVYCZQKAUUBSNZ-WPWMEQJKSA-N 518.573 5.714 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38658279 RXXAARMJMZUIAX-HKBQPEDESA-N 514.581 6.207 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660885 LRLXOYFBCODYQQ-ADXZGYQBSA-N 522.532 6.209 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 38685539 WLSXHSFELNWCHU-PMERELPUSA-N 526.633 6.872 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701003 PTAFXJLFPDPRSO-MUUNZHRXSA-N 508.574 6.584 50 10 KKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39858666 UKVLKJQUCUMCDT-QINSGFPZSA-N 510.859 5.705 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC#N 59680186 KUDFVNHBKINNSQ-BIZUNTBRSA-N 512.997 6.171 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1 100154486 XZORLHJTYAZHEI-UHFFFAOYSA-N 506.466 5.056 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235576 WOZRXEWGKDEQKM-XACFZUKVSA-N 590.858 5.952 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100327798 RZVUTWDEDNSIAW-HVXFLFEHSA-N 613.279 6.150 50 10 KKGE N#C[C@H](Cl)Cc1ccccc1C(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 100990144 NAZTWVDZJWMRMZ-XMMPIXPASA-N 543.070 7.950 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101246540 MEAGWLVGGCEBDX-TUJXDINHSA-N 532.065 6.537 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C1=O 101333286 RRQOUTSSSZBRIN-ZTKZIYFRSA-N 536.676 6.809 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C2=O)cc1OC 101339231 ULJQFTHVRYRQIL-WPWMEQJKSA-N 576.628 5.839 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Br 101340683 MGPRUBAQRAMWAL-ZVHZXABRSA-N 613.899 6.756 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362623 XFDBWZKBLSFSDD-WYOOIXGGSA-N 560.650 6.980 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 101363881 ZDMUQFAZUXTZMK-DEOSSOPVSA-N 525.786 5.614 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCCC(C)C 101368503 JCLDNHILIKFTIE-HHHXNRCGSA-N 529.549 5.466 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc(C)c1Cl 101376149 CDUTVONXQKUZTL-GDLZYMKVSA-N 547.051 6.584 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388224 YRRBRVQSHCADOW-YTTGMZPUSA-N 617.485 7.174 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101390678 DEBLRMKOOMVTLF-RUZDIDTESA-N 545.389 6.340 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)oc2ccc(Br)cc12 101391826 MBFLGXQHURGDTE-QHCPKHFHSA-N 546.333 5.849 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccccc4O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 103806309 PLTSUECRQBBSOX-MUFRIFMGSA-N 569.624 6.078 50 10 KKGE Brc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 128866511 DBHRYOBLLULMKW-ZETCQYMHSA-N 574.777 7.344 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 150482308 YYWLPQLKBPRZGC-XIFFEERXSA-N 645.539 8.197 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@H]2C(=O)O[C@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)[C@H]2Cl 206561408 DDCCFIREQZTEMS-LJYLDHFJSA-N 597.265 6.572 50 10 KKGE in-vitro CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C1=O 214233530 RRQOUTSSSZBRIN-BRPDVVIDSA-N 536.676 6.809 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 214278596 MUYNBWKAKXTULA-VEILYXNESA-N 560.629 6.650 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214370560 VACSZBGAZBICKK-OFWBYEQRSA-N 600.675 5.956 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214377290 UYJZARFJYFOAAX-GTWSWNCMSA-N 556.666 6.819 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 252627202 ROTJGNCJTCRXKO-UHFFFAOYSA-N 609.079 5.227 50 10 KKGE CCCCCCCOc1ccccc1C=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 254296232 PURUQCZPJNOSRJ-UHFFFAOYSA-N 535.710 5.998 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)sc2c1CC[C@H](C)C2 254556229 IRCFRALMHZEMSG-FQEVSTJZSA-N 569.687 5.300 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)ccc1OCc1cccc2ccccc12 254618304 LETIGPCBYMCBPN-UHFFFAOYSA-N 565.655 5.614 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254812546 LDYKABSEYNXVEN-UHFFFAOYSA-N 553.700 5.800 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 263630351 FAJBGVDBEQLSJD-UHFFFAOYSA-N 538.729 7.854 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCCCO3)cc1 642813862 AIXKDRLEXRFVAD-UHFFFAOYSA-N 692.820 9.762 50 10 KKGE Fc1cccc(C[C@H](Br)c2ccc(I)c(Br)c2)c1F 721571138 CSKCWSJVOQUOFW-JTQLQIEISA-N 501.934 6.011 50 10 KKGE Clc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721574216 WQOIEYYJTUSRTL-SNVBAGLBSA-N 534.844 7.039 50 10 KKGE CCN(CC)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1083908978 YUQFWTBYHLKIOD-UHFFFAOYSA-N 543.715 7.470 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084156182 WXWMVIQERZZJIY-UHFFFAOYSA-N 555.370 5.068 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084275554 WJJIMGFXNLIYJC-LICLKQGHSA-N 546.204 6.579 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl 1084297457 BCCIPLKDEVLGNV-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)CCCNc2ccc(Br)cc2)o1 1084321744 OBNAETQVGVONEH-UHFFFAOYSA-N 504.812 5.925 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1084376550 CBZAFOKNWRJNIV-NDEPHWFRSA-N 528.634 6.117 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084469528 VGSRGDBEPQQEMH-UHFFFAOYSA-N 598.043 5.892 50 10 KKGE COC(=O)/C=C1\[C@H]([C@@H]2COC(C)(C)O2)[C@@H](O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@H]1OCOCc1ccccc1 1307286682 MJRLFGKWDKEMSX-NAJYFIPNSA-N 672.891 5.291 50 10 KKGE C[C@]12CC/C(=N\NC(=O)c3ccncc3)C[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\NC(=O)c3ccncc3)CC[C@H]12 1614465135 LTANJFVUAIWDNA-FVWKVRFXSA-N 526.685 5.391 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694711 RBFVAVBCUQPENE-ZWNOBZJWSA-N 534.154 5.853 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683800 INDRXELIUFYRCI-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685109 FSNRJEWMYKQIED-NRFANRHFSA-N 551.803 6.321 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690295 NOSIIAFLKWKXFV-OAQYLSRUSA-N 551.396 7.044 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865694174 VEVAIAZKBHNCSW-VWLOTQADSA-N 561.469 6.921 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701166 ODFHLFXDVBHDAY-FQEVSTJZSA-N 558.274 5.559 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865701712 CKXSZABRXQDFOQ-FQEVSTJZSA-N 536.385 6.321 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1865703733 DERBPJNTLWPRHI-SANMLTNESA-N 567.860 6.947 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704757 DAYHWLNHUKDIJH-VWLOTQADSA-N 526.980 5.534 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705188 OFUIEVYXHQMDQT-HKBQPEDESA-N 560.613 7.130 50 10 KKGE N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1c(Br)cc(Br)cc1Br 1866129883 QUNIBTZJEWTWMH-ONNFQVAWSA-N 519.418 6.173 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866658796 CPRIKLZRZZJHCN-VWLOTQADSA-N 532.572 5.410 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866990878 KQZDHNLWTMSOQB-FTJBHMTQSA-N 572.583 7.363 50 10 KKGE CC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041354 ZKXVYPQTISXJJL-WOJBJXKFSA-N 529.485 5.534 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@@H]3C2)n1 1868277749 HEOVZIMEXPVHJB-QFIPXVFZSA-N 519.074 5.690 50 10 KKGE COc1cccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccc(Br)cc1 1872729032 JQJHIDHEJJPUNP-WOJGMQOQSA-N 523.339 5.780 50 10 KKGE CCc1ccc(OCCCC(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)c(Br)c1 1873428049 JPCZUKATSCDEAS-GXDHUFHOSA-N 505.434 5.893 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OC 1873795147 UFEDNPQQQKNHRV-ZIVDADNMSA-N 505.700 6.214 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583534 LIDAABHNGAJOOU-NKWVEPMBSA-N 511.943 7.544 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC3CCC2CC3)c1Br 1924591429 RGURBZCPPWDEJT-CJXRSZHYSA-N 521.938 7.298 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)s1 1943902884 JNUNDPDQWNTCIG-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781814 IXTRRQYFGCXMTO-SECBINFHSA-N 512.305 7.453 50 10 KKGE CCCSC=C(NC(=O)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2041031516 IFIWZCOKXRHUNT-UHFFFAOYSA-O 517.054 7.006 50 10 KKGE Cl[C@H](C[C@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2085493117 XUPPAESDUUCGBB-HZGVNTEJSA-N 526.288 6.443 50 10 KKGE Cl[C@H](C[C@@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2085493118 XUPPAESDUUCGBB-IMTBSYHQSA-N 526.288 6.443 50 10 KKGE CC(C)(C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2141469156 SAIZXAVHOLBSHY-SNVBAGLBSA-N 582.794 7.999 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(F)cc1I 2203003058 QAYWPNKMNJLUIH-ZDUSSCGKSA-N 534.388 6.339 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1csc(I)c1 2215854779 VNRALGZNVJTJOM-JTQLQIEISA-N 506.428 6.447 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2218604141 RXKCCEOKXQMPOX-SNVBAGLBSA-N 522.857 6.362 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1Cl 2224317578 PBFNMFFJQSGNCC-LLVKDONJSA-N 552.351 7.790 50 10 KKGE Cc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1I 2232833298 MIXKTKIEFMDSHL-INIZCTEOSA-N 507.991 5.781 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cocc1Br 2244197892 DVJPOTOARWABNG-ZCFIWIBFSA-N 514.258 6.766 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1I 2257369304 MHXGHPKWTDUCRU-SNVBAGLBSA-N 566.878 6.371 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2278089623 UMBMRIZPSNZLEX-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198194 GZSCILAKGYFHHU-QHCPKHFHSA-N 542.875 6.389 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Br)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198326 UYKSCTSDQWCXNM-RUZDIDTESA-N 546.490 5.543 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1 2294168480 NJPKPORBFMLNRZ-UHFFFAOYSA-N 557.444 7.134 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 2294168663 YRNYFIBEDJBPPS-UHFFFAOYSA-N 603.254 6.577 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 2296038239 VOMJABLLAXJBNQ-UHFFFAOYSA-N 506.628 5.302 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 2313510949 FWXSJESZGDBXHE-UHFFFAOYSA-N 526.228 6.645 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C 2313511302 ZDQKUCFOLDQTTD-UHFFFAOYSA-N 511.419 7.344 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1 2313519003 NLLLTUHOPQEGIA-UHFFFAOYSA-N 623.672 6.840 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)ccc1Cl 2314531478 BGYIBVBXJTWZNH-UHFFFAOYSA-N 535.785 5.757 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592282 PSXWXLBFBZCKSM-RUZDIDTESA-N 502.039 6.276 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593703 RNMOJDJYYDFYBX-RUZDIDTESA-N 536.484 6.353 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314610033 CNQLVAWOELQEAN-UHFFFAOYSA-N 543.067 6.620 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 2314634015 BQNGISPDSRKNLZ-UMSFTDKQSA-N 556.662 7.400 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646905 UDBZBAMGAUOWEX-NDEPHWFRSA-N 632.742 5.553 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2cccc(F)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329674061 IKJQSSKMNPSOAU-UHFFFAOYSA-N 513.388 6.211 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)cc1OCCC 2331293316 WDFHRPSYGGYVMZ-UHFFFAOYSA-N 503.451 7.730 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331434267 MSANNDWQZPHMFH-UHFFFAOYSA-N 503.967 7.023 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 34367681 OYECEISGWNXCMO-GFMRDNFCSA-N 504.659 8.172 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684251 NVDAIBOOEHQEKP-SSEXGKCCSA-N 528.605 5.495 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)oc2ccc(Br)cc12 38688414 IZZLVSCZZHPUDW-OAQYLSRUSA-N 507.365 6.003 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)oc2c1 38688557 JLJMISORZASVEP-GDLZYMKVSA-N 500.554 6.949 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OC)c(OC)c3)c(C)c2c1 38688614 KQCZNKXQKHNHRF-MHZLTWQESA-N 510.546 5.758 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 58891371 VBXLOKLLJAGKFI-XZJBEKIMSA-N 501.410 5.935 50 10 KKGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100281134 JFNBQGXLYCARJU-UHFFFAOYSA-N 579.314 5.203 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 100928788 FGJYSJVWIGWQKK-NBVRZTHBSA-N 587.423 5.137 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244237 GISUCGCJVLMBEE-SJUIHGPVSA-N 550.511 6.914 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246469 KQGOMWNRFWFQGM-WQNJBNFLSA-N 552.483 6.629 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 101368136 NSZHETYMNJGQPH-HKBQPEDESA-N 542.632 6.029 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)cc1 101373666 FZWBBFBSMZVNRK-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101375055 YVYUYBVFSLIPNW-PRAQEBQASA-N 560.622 6.240 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 101378432 DKMZLEVGMYMNEB-AREMUKBSSA-N 533.968 6.255 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5cccc6ccccc56)ccc43)cc2)cc1 101378756 GRCUOIDAZCFWQL-PGUFJCEWSA-N 552.630 7.094 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 101381783 ZCLSNUJFCQOPBR-WJOKGBTCSA-N 532.596 6.492 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383436 RZOSGOXDBMZWRE-JGCGQSQUSA-N 567.041 6.684 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101385887 YHDVMOCJBQSYSS-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386126 UXEIXHORGQEAHD-GDLZYMKVSA-N 583.984 6.273 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1 101388465 YOVXBBGBCKNBIP-XIFFEERXSA-N 613.066 6.529 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101392796 WECPVDAFSZOCLL-DEOSSOPVSA-N 533.005 6.318 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396695 UNLPIKIWQAYCHH-VWLOTQADSA-N 545.389 6.340 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613407 WORIRDSTDJAJOC-QNPAUSKUSA-N 535.619 6.846 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103742061 IOYGNDVTHUKANL-CTHAODRQSA-N 552.881 5.845 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103878237 RRWZADRHHNOIFN-KKMKTNMSSA-N 562.645 6.954 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 103887306 OLSBYCXAQKYCHI-ZDLGFXPLSA-N 544.218 6.784 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104996407 REERAEHGHDHTRN-AKGPUCRXSA-N 561.263 5.633 50 10 KKGE CCCCC[C@@H](Cl)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920717 KPKQRYXDKNVKBO-WMEBLMNJSA-N 533.281 10.127 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433323 JTMFOHLNYIKYNY-YTTGMZPUSA-N 635.931 7.991 50 10 KKGE COc1ccc2c(c1)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 150446339 SDMMRZSRXMLFQW-CRLLLLONSA-N 674.843 5.561 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462711 PLODRVVZQDULJR-XMMPIXPASA-N 745.657 10.042 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OCC 150484427 LPAHUGTVHJBVLO-HKBQPEDESA-N 639.576 8.577 50 10 KKGE COc1ccc([C@@H]2C[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)[C@H](c3ccc(OC)cc3)[C@@]2(C#N)C2=C[C@H](Cl)[C@@H](Cl)C=C2)cc1 150493452 XKRMSAFBQDWAPH-PRAUMHCQSA-N 664.629 8.583 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 164723038 GWEQRSNMGWVGFY-ZDLGFXPLSA-N 746.124 6.934 50 10 KKGE C[Si](C)(C)Oc1cc2c(cc1O[Si](C)(C)C)[C@H]1c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3OC[C@]1(O[Si](C)(C)C)C2 230601808 CFAQAGCVXBLKID-GRKNLSHJSA-N 663.197 9.212 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c1C 254367950 WSIZIHHYVHQOBT-UHFFFAOYSA-N 505.647 7.034 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 254749389 PEFXPUWBNZMHQO-UHFFFAOYSA-N 527.646 5.553 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)c(Cl)c2)C1 382686888 KWQNVCIDPCEGJZ-HZPDHXFCSA-N 534.619 5.890 50 10 KKGE CCCCCCCCCCCCNC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238830 XYMDHCFEBMSDMK-RUZDIDTESA-N 545.111 8.117 50 10 KKGE CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@@H](CCCCCCCCCBr)Cc4cc(O)ccc4[C@@H]3CC[C@@]12C 1073235555 KFPTYJLFIUUHEJ-ZSUOQYPISA-N 519.564 7.922 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1083863570 WYWLJJDTFIMBOQ-UHFFFAOYSA-N 595.121 5.419 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 1083921075 QKTLGASZHMSDDW-MHZLTWQESA-N 561.476 6.544 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1083936858 WPCKHQDYPVJNBI-UHFFFAOYSA-N 644.672 5.484 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1 1084059803 CJZCJRDEACJGPI-CFRMEGHHSA-N 521.617 7.485 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1Cl 1084089781 OEZOHQIYLZBQCR-UHFFFAOYSA-N 631.776 6.446 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1 1084133201 YMXRCVURGAMUKD-UHFFFAOYSA-N 566.035 5.122 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1 1084243181 NMXLVJQLPCTWMN-UHFFFAOYSA-N 514.294 5.519 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 1084330797 WWCMIVDYKSSTFB-DEOSSOPVSA-N 655.302 6.134 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(F)cc1 1084374129 WYEGOKBZYCYVJE-UHFFFAOYSA-N 576.216 6.448 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl 1084396557 VAONJSNXUJOTFT-RQZCQDPDSA-N 589.773 5.986 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 1084508778 BJXAHCOAXITGDQ-DEOSSOPVSA-N 599.478 5.518 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OC(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 1084526430 IQXMEHCZWYIUOL-UHFFFAOYSA-N 576.118 6.595 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2cc(Br)ccc21 1772752409 HFGVMIIZKPNGGG-UHFFFAOYSA-N 556.545 6.599 50 10 KKGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 1772760297 ZGKKUVVLZRPGPO-OAHLLOKOSA-N 586.501 5.023 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865682476 PKJWJXYOLUMDJG-DEOSSOPVSA-N 525.450 6.817 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691892 DMLHLEVFSKKPEG-RUZDIDTESA-N 528.996 5.496 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865693447 VNDNNSKSCDDGQD-QHCPKHFHSA-N 537.458 5.662 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694366 UGPBAEKKRPIXDT-LJAQVGFWSA-N 555.078 6.733 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865701144 NAWKFROKQNFXSW-HHHXNRCGSA-N 575.496 7.319 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703564 BIRJEOVDOYQKNO-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1865714989 SHKCUFGRBIDADH-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE C[C@@H](Cl)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905226 FTSOYXAHFXQRNT-KOLCDFICSA-N 874.420 5.056 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866764170 PVCRMXQEDJOVOG-GDLZYMKVSA-N 557.622 6.132 50 10 KKGE CCC[C@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931918 USWQCUMHHIVTST-MHZLTWQESA-N 524.646 6.037 50 10 KKGE CC/C(=C\C(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867116030 URZXYOZYUCWFLO-RDOKFVIMSA-N 548.528 5.701 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)CC2 1868414766 PYMZKEGCPVSMOT-PMERELPUSA-N 572.134 7.891 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)[C@@H]2CC(C)C 1868564652 CWTKCCUTGOCXLB-HHHXNRCGSA-N 506.679 7.314 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872744983 RWKFULIZXQPPMC-SGEDCAFJSA-N 519.626 6.899 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c1C 1872754070 AZIAKPWNLRABOI-FVDSYPCUSA-N 519.626 6.790 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1sc(Br)c(C)c1Br 1922897939 QWSCTGXOCSRKMA-NSHDSACASA-N 517.906 7.137 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 1922933652 YEJDOTNPRSRQMU-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE Cc1oc(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924591920 VIORNIAUKAWBII-VIFPVBQESA-N 521.894 7.038 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1Br 1924614545 PHVTZQSXNHIXBY-BTQIBKBOSA-N 549.992 8.078 50 10 KKGE Cc1cc([C@@H](Cl)c2ccc(Br)cc2Br)ccc1I 2086021786 BLNWIFYGLLHPJH-CQSZACIVSA-N 500.399 6.453 50 10 KKGE Clc1cccc(C[C@@H](Br)c2ccc(Br)cc2I)c1 2086145946 SZMJEJFPULTUQN-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE Cl[C@@H](c1ccc2nsnc2c1)c1c(Br)sc(Br)c1Br 2120651580 PGSALJAPMUTUKP-VIFPVBQESA-N 503.466 6.369 50 10 KKGE C[C@@H]1CC[C@@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141469363 UVFNFQNBDXNZIF-FWWHASMVSA-N 540.315 6.974 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2148752414 UAIYOZBOFWTBIW-CQSZACIVSA-N 527.876 6.857 50 10 KKGE C[C@@H]1Cc2cc([C@H](Cl)c3csc(Br)c3Br)cc(Br)c2O1 2150337840 UNMKYCZUEHODJR-INWYIAFRSA-N 501.465 6.687 50 10 KKGE Brc1scc([C@@H](Br)c2ccc(Br)c3ccccc23)c1Br 2150345002 XVNNKFAJXXPOBW-ZDUSSCGKSA-N 539.912 7.673 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 2165529421 DKYPGHOGYQGYQL-ZWKOPEQDSA-N 676.896 5.456 50 10 KKGE COc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1F 2168414008 XMIRCRWIARNEFM-ZETCQYMHSA-N 551.895 6.862 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2CCCCC[C@H]21 2206398240 SHJVHOUPNVWWFO-CPQOCUOSSA-N 550.354 7.843 50 10 KKGE Fc1ccc(Cl)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399661 KFBKPXFHFZQCKV-NSHDSACASA-N 615.154 8.013 50 10 KKGE COc1sc([C@H](Br)c2ccc(C)c(I)c2)cc1Br 2217865423 DLLKKGVPCCDMJC-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2234067656 OUMOTQBIIPUCKD-UHFFFAOYSA-N 603.786 6.814 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1I 2248214353 IWFVFNNPKPDFIG-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)cs2)c1 2252830290 PQWNCJAZTKZKOG-LLVKDONJSA-N 503.879 6.714 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263483703 MTDYDZBBOUCXKP-LJQANCHMSA-N 532.114 6.202 50 10 KKGE COc1ccc([C@H](Br)c2c(F)cc(Br)cc2F)cc1I 2285005695 FEOATWIUQPZBPO-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2293031003 RKDGVJWXFBXZPA-UHFFFAOYSA-N 543.557 6.314 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl 2294619937 ONOBNZMSTMAPRQ-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2295370357 OJLSASLLEQBFRT-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2ccc(OC)c(COc3ccccc3[N+](=O)[O-])c2)s1 2295669911 KASMBQCEKKRXQL-UHFFFAOYSA-N 535.578 5.529 50 10 KKGE Cc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 2295945651 JIWBXEBHBJKNOT-NDEPHWFRSA-N 594.136 7.542 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=CC=Cc2ccccc2)n1-c1ccccc1 2297100819 QPVYKWIVQROQOE-NRFANRHFSA-N 622.536 6.088 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccc(Br)cc1 2297491140 AYLJWQUOUVZJER-UHFFFAOYSA-N 552.381 5.889 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccc(Br)c2)cs1 2297512676 IPZCUKDOMMZRDR-UHFFFAOYSA-N 544.481 5.806 50 10 KKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521476 QPFZGZDBFKEEDU-UHFFFAOYSA-N 526.330 6.241 50 10 KKGE N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 2313565310 LLIROUHNQQNGIU-UHFFFAOYSA-N 522.483 5.662 50 10 KKGE CCCSc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)cc2)cc1 2314432768 GJEJJXBHZPBDIV-UHFFFAOYSA-N 595.728 8.333 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2c(Cl)cccc2Cl)o1 2314482700 SDBQXIBWFRGVEY-UHFFFAOYSA-N 537.424 7.704 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314617281 VGQOTHCSRNUWOR-UHFFFAOYSA-N 579.056 6.392 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 2314634412 PBZBIICDISLLAI-VWLOTQADSA-N 503.352 5.295 50 10 KKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329697755 MPGJXKLSVBQOLR-UHFFFAOYSA-N 510.413 5.210 50 10 KKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccc(Cl)c(Cl)c1 2331051615 QZXIUOFWFCDSNG-UHFFFAOYSA-N 513.333 6.325 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 2331239912 UCJSVCMEGXSRLQ-QFIPXVFZSA-N 513.619 5.711 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318642 KDPOWCPPLFJPSI-BXKMTCNYSA-N 501.608 6.102 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331399373 DASDMTMULNNEDB-JLCFBVMHSA-N 507.999 5.976 50 10 KKGE CCOc1ccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058805 HRUKYOUDBLOWTG-SLEBQGDGSA-N 532.578 5.119 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 33378975 QQONSQFWIJPFBE-MOHJPFBDSA-N 510.569 5.317 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC1CCCCC1 33380621 FTBSOSLVELZXQK-PLRJNAJWSA-N 520.608 6.613 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccccc1 35446002 ATLXZHGGAQGLCK-USHMODERSA-N 510.597 6.342 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 35519564 WNTIBKLLMQGBLQ-XDHOZWIPSA-N 500.511 5.939 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651545 RXCMDGWHNHNIKA-LMKMVOKYSA-N 519.395 5.603 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651779 OAEMBDMGRLNYQJ-VWLOTQADSA-N 505.368 5.214 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 38700622 FQYSWQWJKNYBRL-CMDAQFAFSA-N 516.638 6.380 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 38700821 UVRIJWNQTLCRIQ-LJAQVGFWSA-N 522.601 6.974 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c(Br)c1 40960103 JEEXXBNTFXMUDL-MUFRIFMGSA-N 525.443 5.827 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869767 MYJIHATXIHLJNK-JEPNHJGPSA-N 626.106 5.424 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034351 PJLRWGNLXHSGES-RQZCQDPDSA-N 591.468 6.217 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Br)cc3)CCC4)c2n1 101065575 JRSXREADJCNQGU-TWKHWXDSSA-N 532.394 5.897 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245931 SBEBDVZZBXRBOL-IEQIIXMPSA-N 502.039 6.276 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(F)c3)C2=O)cc1 101339901 KYGASFXTWQRKNZ-CVKSISIWSA-N 548.574 5.488 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101368148 NWDWQKWUVAWHME-JCOAXYOVSA-N 556.659 6.418 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1F 101386508 GGSWVZQPTOGLAL-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388577 YCBFCYJHALDTGY-MGBGTMOVSA-N 611.094 7.137 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccc(F)cc12 101398849 BGZFOIXOCBHUCU-SSEXGKCCSA-N 564.544 7.036 50 10 KKGE Cc1ccc(Cc2nc(N3CCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 103147227 UBGUPGWAISILGI-LJAQVGFWSA-N 569.084 5.791 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@@H](C)C2 103733477 BGBCQNKOHXJIGZ-ADVGAGMGSA-N 539.997 6.417 50 10 KKGE N#C/C(=C1/S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 108809992 CUPJPFVLVXMXPO-HDYXMGCPSA-N 603.630 5.674 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)S(=O)(=O)c1ccccc1 110554860 FDOWGIKVFUCNNZ-VUTHCHCSSA-N 535.600 6.596 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150421776 VKDPWXWZRVXPGG-UHFFFAOYSA-N 627.127 5.436 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 150429208 NRAIVVSCKZHIQP-PKEXHZLISA-N 682.309 5.904 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 150429944 SUKDGIJLGNERAC-APTYXWLQSA-N 636.914 6.285 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1 150430074 NJIDDNJBEXSZDG-SANMLTNESA-N 672.990 7.216 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1Cl 150441757 MTLNZFQNQPYHKA-AREMUKBSSA-N 672.990 7.216 50 10 KKGE O=C(OC[C@@H]1O[C@@H](N=C=S)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 150570904 RITGYQZMPNVVEG-STVCLKQXSA-N 637.666 5.348 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 164607425 FKNNNOAFJNIWIU-QLQYKETESA-N 700.533 7.707 50 10 KKGE N#CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164618653 DXUGYFIVTGYLHC-NUGSKGIGSA-N 650.008 5.071 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 164633169 AXWJIZGWPBCZBO-FDALDRLYSA-N 652.545 7.655 50 10 KKGE BrCc1cc(Br)cc(CBr)c1OCCCCCOc1c(CBr)cc(Br)cc1CBr 196373343 QGFVQGSAQADIHS-UHFFFAOYSA-N 785.829 9.419 50 10 KKGE Cc1ccc(COc2ccc(COC(=O)[C@H](CSSC(C)(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1 199058550 AYZRDUBQFBQDST-UMSFTDKQSA-N 641.855 8.704 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 200220378 PTBKEUDRTSQWJU-OQKQCWQTSA-N 699.178 10.693 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205780691 SOLQCTCJWGAJKA-PUFQGMHOSA-N 662.768 5.643 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214261916 UWGIXYVVOMKMAC-QCWPXPQDSA-N 592.699 7.662 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 214305715 NZXPZGWYAAVFDS-IMRQLAEWSA-N 538.648 5.654 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 214377036 ZIKLBKZHNRDQTJ-QRQIAZFYSA-N 528.612 5.957 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)cc1OC 234924723 BALCAYSERIUYIL-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE CCCOc1ccc(Br)cc1C=NNC(=O)c1ccc(OCc2cccc(Br)c2)cc1 252607359 HBHLUBFBYREXBX-UHFFFAOYSA-N 546.259 6.343 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc2c1NC(=O)O[C@]2(C#CC1(O[Si](C)(C)C(C)(C)C)CC1)C(F)(F)F 253588005 CZLOCSCGTRCIBH-VWLOTQADSA-N 576.204 8.602 50 10 KKGE in-vitro CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)CCl)CC[C@@]34C)[C@@H]12 254741556 AFPUQLBJNOEKFF-ZZEGAWFMSA-N 505.227 8.894 50 10 KKGE O=C(OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 255999261 RITGYQZMPNVVEG-LIIQBVBMSA-N 637.666 5.348 50 10 KKGE Clc1cc(I)c(Oc2c(Cl)cccc2CBr)c(I)c1 311399684 CQYKEGXLOBCIOB-UHFFFAOYSA-N 583.816 6.890 50 10 KKGE BrCC(CBr)(Cc1coc(Br)c1)c1ccc(Br)cc1 378985121 WSKRYTXCROQNBB-UHFFFAOYSA-N 515.865 6.075 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c(F)c1F 398590870 PKPSCWMXRFKLHE-NSHDSACASA-N 584.793 6.718 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1Br 725391846 RLFNMKOCDMNDBN-UHFFFAOYSA-N 688.442 6.282 50 10 KKGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Br 1081168682 GLGVTTXCCUDEIT-UHFFFAOYSA-N 516.779 5.136 50 10 KKGE N#CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1083905355 DXUGYFIVTGYLHC-UHFFFAOYSA-N 650.008 5.071 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1083992486 ORDHFQKXBWOQSE-UHFFFAOYSA-N 679.939 7.593 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084022889 SQYKCSUVOAIBSL-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccccc2)cc1 1084025792 COWPPCBCDBNHDM-UHFFFAOYSA-N 591.089 5.337 50 10 KKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(OC)c2OC)N3)cc1OC 1084110636 POSOXHVLIWVOGL-UETOGOEVSA-N 527.621 5.702 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084119209 VDKASVNFNJGJRM-UHFFFAOYSA-N 558.498 5.168 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1 1084257357 SCNUZWYHNBGYMN-CXUHLZMHSA-N 550.211 7.028 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1 1084262581 CKLBWCQYDKKJNE-UHFFFAOYSA-N 568.621 5.767 50 10 KKGE COC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1C 1084592772 GQXYFBXCBLBLSN-UHFFFAOYSA-N 544.655 6.719 50 10 KKGE CC1(C)CC[C@@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@@H](O)[C@H](Br)C(C)(C)[C@@H]6CC[C@@]54C)[C@H]2[C@@H]1OC3 1565534812 KJMGDBGFBNCRQT-AFIMFZFWSA-N 521.624 7.611 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743913 LGXVFZDETKMXMC-UHFFFAOYSA-N 526.036 6.554 50 10 KKGE Cc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748795 DURXIEBSGITEBY-UHFFFAOYSA-N 500.382 5.691 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@H]5C)c(C)c43)coc2c1C 1772751376 AETGYJYCAWQUGQ-GOSISDBHSA-N 541.623 6.471 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCC(C)C 1772754897 KRKWXHAWMHSQEY-UHFFFAOYSA-N 518.104 6.530 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCc1ccccc1 1772754997 FTMHPOIPHKNLFP-UHFFFAOYSA-N 503.649 5.683 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688186 MSCIUHKBKSHJSZ-MUUNZHRXSA-N 532.575 6.126 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688336 POYBLYYLENAKKX-MUUNZHRXSA-N 549.030 6.640 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCCc1ccccc1 1865688370 QMTADCCUWUJYCR-JOCHJYFZSA-N 512.532 5.406 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865691175 LQARVTCGYOFBGV-OAQYLSRUSA-N 529.822 5.612 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1865694746 APYIRYBUBGSLJU-MUUNZHRXSA-N 511.025 6.307 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865695210 MXJRABXCAFJZIP-RUZDIDTESA-N 512.997 5.877 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865695445 CPVBPKWMRQPNOH-QFIPXVFZSA-N 530.522 5.885 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865703816 GGQFSKOCJWZKGF-NRFANRHFSA-N 503.345 5.762 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704903 HJQWPOOQEWQAPU-QFIPXVFZSA-N 516.479 5.388 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(Cl)c1O 1865707371 VKMLSYKAMPGNDX-OAQYLSRUSA-N 505.361 5.778 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711597 CCJAMIRAQZLTSG-VWLOTQADSA-N 544.995 5.445 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866942014 HYKDOKRHFKZMRF-GKVSMKOHSA-N 566.477 5.417 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867066418 NGXJYQLPMAJWII-XMMPIXPASA-N 530.650 5.821 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CC2)cc1 1868231287 BJDCHKQNSQVNCZ-UHFFFAOYSA-N 502.688 5.680 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@@H](C)C2)n1 1868301734 VXWGBGJVNBSXJS-GOTSBHOMSA-N 506.679 6.872 50 10 KKGE CC(C)(C)c1ccc(CC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1868456307 NJTZDCFVZWSCGB-UHFFFAOYSA-N 551.735 8.356 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)\c2ccccc2)cc1OC 1872752663 NHSVYOJTSSLSSG-CJEQFKPTSA-N 510.571 6.589 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872755101 YMKHNCDAJBOMEL-KXNAUXDSSA-N 501.608 5.939 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCC(=O)N(CC)CC 1872781084 UMEZINFYJKCHSB-HYARGMPZSA-N 505.640 5.837 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2scc(Br)c2Br)s1 1901025572 HSQYQHHTHLRKLG-ZETCQYMHSA-N 532.875 6.921 50 10 KKGE CC[C@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)c(C)cc1Br 1915105814 NYONJVAQGWTTTF-HNNXBMFYSA-N 509.691 5.728 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2I)c1Br 1922888428 QJYPUVPPTWCFHK-JTQLQIEISA-N 629.775 7.433 50 10 KKGE IC[C@H]1CCC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989165792 CHAGOXOYRACYRT-DNQXCXABSA-N 514.403 6.890 50 10 KKGE Brc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)c(Br)c1 2024279043 JLBDLZRDDFEREN-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(I)ccc2F)c1Br 2138870260 HRTPTQRDOKARQK-CQSZACIVSA-N 562.840 6.748 50 10 KKGE Cn1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)n1 2141470521 HVVCZWAQYQYFLQ-SNVBAGLBSA-N 601.156 6.561 50 10 KKGE Clc1ccccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477083 LEQHFPJYXDGDEU-CYBMUJFWSA-N 552.713 7.718 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Cl)c1Cl 2203432812 KKPCVWGNXBWMJB-LBPRGKRZSA-N 506.392 6.744 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2206400116 PNJBXTNXBOCDNI-UVPNAGLESA-N 594.805 7.999 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)sc1Br 2213635630 KCKXUHZIHUFIHL-SECBINFHSA-N 523.935 7.198 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@@H]32)c1Br 2218093187 VKIMXZRHFOMABS-LIZYTCAWSA-N 523.910 6.287 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccccc1I 2218596068 CHUIWWPNDGXEPP-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(Br)cc2F)C1 2255269061 LCUJMRYWASDMQE-SFHVURJKSA-N 528.200 5.310 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2cc(I)ccc2Cl)c1 2272640065 XLIKFWGDELWOMU-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12COC[C@H](C1)C2 2273084036 ZTDOHLCNUJFUGN-MYWNEDRFSA-N 538.299 6.443 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2279047816 PDRXECJIAKJQSD-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 2293198224 LGJQQSYKEZBXKG-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2294171919 JOEXTSZDHISHEN-UHFFFAOYSA-N 591.405 5.316 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(C=CC(=O)NCCc2ccc(O)cc2)cc1O[Si](C)(C)C(C)(C)C 2294821866 DIFHYHPSLXSDPA-UHFFFAOYSA-N 527.854 7.532 50 10 KKGE Clc1cc(CBr)cc(Cl)c1OCc1ccc(Br)cc1Br 2296311440 XBKKVKJDPCLPQZ-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 2297458005 ZAXSGKUGVZAKBK-UHFFFAOYSA-N 539.997 6.559 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2297458865 SDVRMFMVNOUNMT-DEOSSOPVSA-N 532.021 5.582 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518563 JESQUJOSQGAJDT-UHFFFAOYSA-N 615.092 8.012 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(C)c1 2313566893 CVJWEFQCZBAXIT-UHFFFAOYSA-N 516.041 5.882 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1 2313570943 JRVSBSCPCJDSEQ-UHFFFAOYSA-N 556.287 7.918 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313670624 LKTPWGBBCJSCJS-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314594026 XPDCMOUSFRGXTL-HLADLETHSA-N 537.729 6.950 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314616607 FPHAJAQZTQJJPW-UHFFFAOYSA-N 548.687 6.952 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(C)=C(C#N)C2=O)cc1 2314619893 GVSUZCGKZSEGEC-UHFFFAOYSA-N 661.784 5.557 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640627 DXZUWIBOVTUCMS-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)cc1 2331345746 VCRINJHSVLJLTF-UHFFFAOYSA-N 504.652 7.683 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 2331456839 LNOHDMCNLDOBBM-UHFFFAOYSA-N 513.449 8.913 50 10 KKGE Cc1scc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2343564202 NEFARAZYTYIJTR-LLVKDONJSA-N 511.863 7.465 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362238350 RUWQFNZTPXGQGS-LBPRGKRZSA-N 556.797 7.076 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974883 MVUQHTACTRIAPI-UYRXBGFRSA-N 535.578 5.761 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)c(C)c2cc1C 38688546 DSRDXWJLAWSUTK-LJAQVGFWSA-N 500.554 6.949 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1C 39992824 RPSFRUNSLGIVIX-OQKWZONESA-N 506.606 6.255 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1C#N 59304577 XXUAQLWMJXGOIV-OKCVXOCRSA-N 514.379 6.138 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207467 DDKUHNJIMRFTFR-UHFFFAOYSA-N 597.535 5.005 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 100234735 LLNUWCZAGONQPT-ZHDAQUIUSA-N 555.425 5.119 50 10 KKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100261378 ZMGNWIFSORKMGZ-IIBYNOLFSA-N 592.328 6.262 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101333287 PMZXDCIABNCMQA-UBYGEMSKSA-N 506.606 5.645 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 101334622 CVCCWRIPKQHGPG-WSDLNYQXSA-N 500.986 5.450 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101337049 QKQVWBNWTONPLH-MOLSVDMISA-N 522.605 5.098 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101340388 PRGMZAYPYPDHEU-WPWMEQJKSA-N 557.046 6.161 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101373751 NCCRREDBEQHGIF-PRAQEBQASA-N 542.632 6.028 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101376083 FIJQNWDKYDXGRJ-NDEPHWFRSA-N 553.442 6.621 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 101378027 TUNMYLKRSUFPJR-JGCGQSQUSA-N 540.660 6.855 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383905 RNCGSMPBVHMWHD-XIFFEERXSA-N 564.613 6.731 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101393099 GWXGMLACRFALLQ-SSEXGKCCSA-N 552.627 6.983 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399438 JRSDQZXLZYNTIW-WJOKGBTCSA-N 611.025 7.559 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601486 QXPKDCWZQGJCPF-INKHBPHZSA-N 523.976 6.470 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609818 CFDJVENPGSOLIS-PPFNPFNJSA-N 542.035 6.491 50 10 KKGE Cc1ccc(CSc2ccc(C(=O)NNC(=O)c3ccc(SCc4ccccc4C)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 101665652 GVEPMMJSKMWADU-UHFFFAOYSA-N 602.694 6.779 50 10 KKGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1 102629303 TZAHICNSZWGOQL-MYYYWZMKSA-N 576.310 5.578 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 103003438 CFDDSKDTLOUYFC-KOMLCTQHSA-N 553.423 5.170 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(Sc3nc(-c4ccc(F)cc4)cs3)c([N+](=O)[O-])c2)cc1 103910740 KTZCLPUANHDGIO-OSLARZAXSA-N 580.663 6.371 50 10 KKGE Cc1c(C)c(C)c(CSc2nnc(/C(C#N)=C\c3ccc(Cl)cc3Cl)n2-c2ccccc2)c(C)c1C 106743570 PKHBHVGLGQKRDW-QRVIBDJDSA-N 533.528 8.473 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150463535 MVXTVEIGTHFFAW-WJOKGBTCSA-N 637.903 7.437 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C2=O)cc1 150498114 OTXLRTNMMVJWTM-ATKNFYHNSA-N 661.784 5.761 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 164638989 ONSGDHZVTAUFAA-JEPNHJGPSA-N 643.379 8.321 50 10 KKGE CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)O[Si](C(C)C)(C(C)C)C(C)C 197395364 NQGNRUOAOBYLJG-DTXPUJKBSA-N 510.920 10.370 50 10 KKGE in-vitro CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214317249 NXKIXZQLYGTXJL-MNBJERMJSA-N 584.607 6.643 50 10 KKGE CN(c1ccccc1)c1ccc(C=NNC(=O)CSCC(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)cc1 252619644 LRTKSVCGGLFMME-UHFFFAOYSA-N 564.715 5.556 50 10 KKGE COc1c(Br)cc(C=NNC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c(O)c1Br 252619940 LURLSKZJNIOUIO-SKEZNJBLSA-N 599.279 5.403 50 10 KKGE CCCCOc1cccc(-c2cc(C(=O)NN=C[C@@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)c1 252641163 ZAUACERNGYLVEZ-NRFANRHFSA-N 509.606 6.404 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253566716 JHFFWESECJMQOT-HPNXWYHWSA-N 619.799 5.956 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]1[C@@H](c1ccc(Cl)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 253573526 RNHGEENJOGFIAY-PCCBWWKXSA-N 526.759 5.342 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(OC)cc1 254300738 LLNJGUCAFDHVIY-UHFFFAOYSA-N 521.620 5.165 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3cnc4sc(-c5ccccc5)cc4c3=O)cc2)cc1 254411653 MVVCLNISENXZGG-UHFFFAOYSA-N 508.603 5.163 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=C/C=C/c2ccccc2)n1-c1ccccc1 254631815 QPVYKWIVQROQOE-IWWOXDTASA-N 622.536 6.088 50 10 KKGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc(Cl)cc1 254729821 IYGOPEZJSYWLFA-UHFFFAOYSA-N 525.992 5.546 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(C(C)=NNC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)cc1 254868745 QXQWZDHDGLKMDU-UHFFFAOYSA-N 556.669 5.927 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)sc2Br)c1I 379214743 PFSKBHMBQLQALT-SSDOTTSWSA-N 540.844 5.096 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1[C@@H](O)[C@@H]2O 585658261 ACJHNDYFTFXEOF-MXRLJMMUSA-N 984.181 5.736 50 10 KKGE in-vitro O=P(c1ccccc1)(c1ccccc1)c1cccc2c1oc1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc12 642813767 URJAJKBUFMQTIE-UHFFFAOYSA-N 609.665 9.990 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2n1 725331468 SSTWVRZGZZZUQH-VNTGMUHVSA-N 910.142 10.084 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 725413468 FEQPKEJYXQCEOM-UHFFFAOYSA-N 627.992 5.894 50 10 KKGE COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 1083858943 NLSKFKJHNFRHML-UHFFFAOYSA-N 531.454 5.602 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1 1084301747 MWGUHMLJQDXAHE-LICLKQGHSA-N 580.693 7.933 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 1084305968 WEXYPAOVLQCLAF-UHFFFAOYSA-N 556.449 7.560 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084448547 OAJUYRSXXHIKMZ-UHFFFAOYSA-N 546.849 5.542 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084527110 LRNXEOBVCSJPEX-MHZLTWQESA-N 541.475 6.664 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653260 BNNBVQFTDPZLMB-QFNYJIRUSA-N 518.038 5.652 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747179 LUUIFVMLBRGVPC-UHFFFAOYSA-N 569.415 5.974 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)ccc1Cl 1772749775 RFQWFVPWMZDMGI-UHFFFAOYSA-N 528.808 5.759 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccccc1Cl 1772752398 FGJRQPALJYPWMX-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)ccc1OCc1c(Cl)cccc1Cl 1772753613 URCUEKAUUUFAJL-UHFFFAOYSA-N 509.389 6.263 50 10 KKGE C[C@H](CCCO[S@@](=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]21C 1848432748 WSBINBUDUYSHJN-XDTPPZHESA-N 599.010 10.112 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686368 ULOXWYDJWNIKQG-AREMUKBSSA-N 539.422 7.226 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686904 DTQFOQVPCJSTTI-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865695978 AZFFUSRSNFQXTJ-OAQYLSRUSA-N 532.950 6.009 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865696436 MQOGVDNWBIXWBL-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698552 XFVPWDLDSPYMKV-NRFANRHFSA-N 539.430 5.355 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702375 UKIWAZZAMPLCPX-SFHVURJKSA-N 508.178 5.861 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704589 ZILXQQAOEMRLRP-SANMLTNESA-N 527.024 6.419 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865710695 FKXSJZIYTKCPBH-XMMPIXPASA-N 514.969 5.437 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711163 RDPQURQVULLNHR-OAHLLOKOSA-N 519.232 6.435 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867109424 MXNOWPKGZUFXLY-YIXXDRMTSA-N 503.643 6.285 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CC(C)(C)c5ccccc5[C@@H]4C3)n2)c1 1868505881 MHAUXHXGDNEFLG-MHZLTWQESA-N 562.699 6.150 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873795077 QRTMUGLMKKNIEX-BXPUGBIQSA-N 508.446 5.962 50 10 KKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915267217 BYCKWESSUZKPHM-QGZVFWFLSA-N 509.691 5.666 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1sc(Br)cc1Br 1922933808 ZPAHVAMTSUINPC-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE CCCc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924612950 FLVBPGIDZUJPMQ-LLVKDONJSA-N 531.933 7.472 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)sc1Cl 1950177564 KXWXWJNLYJMMBY-RXMQYKEDSA-N 520.320 7.779 50 10 KKGE ClC1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2025779153 DFOLXVYMSRVJGB-UTNXVAPVSA-N 530.707 7.034 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)c(Br)s2)c1 2028922975 FZVARESBBQETHM-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1ccc([C@]2(C(F)(F)F)NC(=C(C#N)c3ccccn3)O[C@H]2C(=O)c2ccc(Br)cc2)cc1 2042449342 AEPPTCQQDBSTRG-UPVQGACJSA-N 528.328 5.674 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCC[C@H]21 2085495595 LOLAZLZTNOBEOX-ZTWFDIKUSA-N 522.300 7.063 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 2101013211 AGMHMZBESKEJEE-GFCCVEGCSA-N 514.020 5.843 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111648594 VVIYURCJYFBLHK-LDYMZIIASA-N 501.456 7.578 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2138643258 QDGPNFOSUJRTKJ-VIFPVBQESA-N 509.872 7.073 50 10 KKGE BrCC(CBr)(Cc1csc(Br)c1)c1ccccc1Br 2139781811 YIFISDYWAIOXSJ-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Cc1ccc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406029 UIOFJCQPMUOINO-CQSZACIVSA-N 611.191 8.136 50 10 KKGE C[C@@H](Br)c1ccccc1NC(=O)c1ccc(Br)cc1I 2207270244 BRHAGNHXASRELG-SECBINFHSA-N 508.979 5.762 50 10 KKGE CC1(C)C[C@H](Br)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216417876 GXISJJABHACDRE-NKWVEPMBSA-N 509.927 7.093 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(C)c(I)c1 2232837192 QAFDODUCAIYWSX-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2sc(C)c(C)c2Br)c1 2253465249 AEROPTGHCMQAPO-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2I)c(Br)c1C 2253466697 MKMJYOFPOMSCEC-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1 2293968707 ZADNBPVEZHFSCA-UHFFFAOYSA-N 571.077 6.376 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cccc(Br)c1Br 2295372277 GQMOKAQOFXJEMY-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE O=C(NN=Cc1cc(I)cc(I)c1O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2296977090 BYTVPEFURJDEBG-UHFFFAOYSA-N 663.253 5.079 50 10 KKGE COc1cccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2ccc(F)cc2)c1 2297486346 JTPCEZUBPIJDRS-UHFFFAOYSA-N 534.657 5.228 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521576 XNGVHASWYGAQOO-UHFFFAOYSA-N 571.327 6.149 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 2313631405 PVHXJGDFTOJZNZ-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N1CCCCC1 2314478815 WMYQPQSNADXKAZ-UHFFFAOYSA-N 523.036 6.691 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592013 JTEYRVKNHATVSE-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592176 NHOPXVDPVHGMFG-MUUNZHRXSA-N 509.675 6.800 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314616527 CTBDKPYNNUBEAX-UHFFFAOYSA-N 516.638 6.236 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314617862 CABVVCQYVFBNCQ-VWLOTQADSA-N 556.666 6.988 50 10 KKGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314617890 COVCQFWKNMBWRL-UHFFFAOYSA-N 543.447 5.990 50 10 KKGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)c(Br)c1 2314770685 QXDAGYWULUSYBZ-UHFFFAOYSA-N 567.436 5.601 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)OCC(C)C)c1C 2329699352 IHBRRVZDPXSTEK-UHFFFAOYSA-N 519.417 5.354 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)nc2c1 2331046516 KQIBBVXKNBJSMB-UHFFFAOYSA-N 546.377 5.536 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2331461864 PTRINWBKSJJMKB-UHFFFAOYSA-N 514.651 6.392 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 2336084852 XMBINTKCHTWBBW-SFHVURJKSA-N 506.181 7.593 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OC(C)C)c(OC)c3)cc2)sc2c1CCCC2 6167443 DFPFMJKJFYSCKO-UVUYFVAOSA-N 607.729 5.769 50 10 KKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]5[C@H](C[C@@H]4[C@H]3[C@H](Br)C(=O)[C@@]2(O)C1)O[C@]1(CC[C@H](C)CO1)[C@H]5C 29747737 NZMXPNPAWOZZDY-XYNWPZHCSA-N 567.561 5.032 50 10 KKGE biogenic Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccccc5)ccc43)cc2)cc1 38686311 FBXOQFYJTOUEDU-HKBQPEDESA-N 502.570 5.940 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1 40947768 IRJVJUSZNHOIFE-JVWAILMASA-N 504.637 5.425 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(COc2cccc(C(F)(F)F)c2)o1 58976474 NKIXTCSVNDNWHT-OQLLNIDSSA-N 518.513 6.395 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100185756 GFJYVJRSHCDYGF-UHFFFAOYSA-N 621.164 6.082 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241123 YWCYXIRDUPYSJJ-DXTZOESMSA-N 538.456 5.745 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243734 KZCBOJSIRFMIRF-NQYKVDOOSA-N 562.489 5.761 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCCC(C)C 101368396 TYRIBZJYKIOZMU-HKBQPEDESA-N 542.632 5.940 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379158 CCRIZTGAGXNNEC-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379181 LWPLWOOHVQKPIZ-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381469 MEEXLPQEWNAWAY-NDEPHWFRSA-N 553.412 6.465 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 101381908 WJVPPIXLAHRLKQ-YTTGMZPUSA-N 544.651 7.309 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388712 FHEMAWXRENYNPD-DHUJRADRSA-N 625.121 7.644 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389688 HFJWFVAAXZWJJY-IYLMVCPTSA-N 622.693 7.518 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)oc2cc(Br)ccc12 101392004 MZIKUXCKRSQHNU-HSZRJFAPSA-N 570.226 7.248 50 10 KKGE CCOc1ccc2nc(NC(=O)/C(C#N)=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)sc2c1 102471133 SFQWHLGATMCHRK-PDGQHHTCSA-N 521.440 6.411 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806568 DPVVDNSRMDNANZ-CRBQXDPASA-N 607.758 6.846 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 103877009 OHBAZLHXGCTYDC-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(COc2ccc(F)cc2)o1 104159589 CQHKSLVAQDPCLO-XSZJBBQGSA-N 534.617 5.018 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Br)cc1 104951990 CTQZHRAGJJVFLS-MOSHPQCFSA-N 562.489 6.784 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl 105066672 HQAXYNLIKVABAZ-XODNFHPESA-N 557.235 5.697 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)C1 110558830 ICHWGOBIVMRYHR-ITZOTHCASA-N 576.726 6.157 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)o2)c(OCc2c(F)cccc2Cl)c1 150346047 GAASGZYLBRLBAU-KVAAJVFYSA-N 641.925 7.276 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1 150430499 ZQYFTUXLHCAPDX-SSEXGKCCSA-N 631.910 7.518 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 150463918 LUNUDPIDMLDNKC-SSEXGKCCSA-N 651.930 8.070 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1F 150478804 HRDBULQXQCXUAF-PNQUVVCRSA-N 620.953 7.195 50 10 KKGE Br[C@@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCCCC2 155255746 GMGLWTYKSMAONZ-ZIAGYGMSSA-N 686.935 6.756 50 10 KKGE COc1c(C)cc(P(C2=CC=C[C@H]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)c2cc(C)c(OC)c(C)c2)cc1C 206532407 VKJOKXWUTQXBGN-SJHOIFEDSA-N 590.769 9.976 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214365345 ROOXFCLSJBOTQQ-GTWSWNCMSA-N 586.667 7.182 50 10 KKGE O=C(NN=C[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@]2(F)Cl)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@@](F)(Cl)[C@@]4(F)Cl)cc2)cc1 252630226 UXJICYMVFNDWNU-UEFXNIPGSA-N 708.367 7.841 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)s2)c1 254343077 UAQGASBCRDXWGO-UHFFFAOYSA-N 593.923 8.330 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 254592001 DSQJINXZZZBYJD-UHFFFAOYSA-N 509.400 5.629 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254624828 SKSIMZATAUSPSG-UHFFFAOYSA-N 500.683 8.210 50 10 KKGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028462 NWISPQKIQBUIAP-UHFFFAOYSA-N 563.543 6.178 50 10 KKGE c1ccc(P(C[C@H]2C[C@@H](CP(c3ccccc3)c3ccccc3)[C@H](CP(c3ccccc3)c3ccccc3)[C@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 256168070 HYAJCBCVJRLTRN-YVYMWLEDSA-N 862.955 11.387 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)C(F)(F)F)cc1 263628339 GNXZLPZPLCNBRW-UHFFFAOYSA-N 510.903 6.210 50 10 KKGE Cc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382704163 QYTBOFBONRZWRT-VQIMIIECSA-N 514.201 5.545 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 504823465 XFDOVQPSOPEMRW-KWFMOJLHSA-N 520.871 7.596 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616585911 GEYKFJRDKMXPMQ-FLOOJLJVSA-N 702.964 7.691 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)c1 616685576 PXMLXQYONZFAGE-HHHXNRCGSA-N 526.914 8.246 50 10 KKGE Clc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1ccccc1P(c1ccccc1)c1ccccc1 642813911 FLVHEFLGSIVUOT-UHFFFAOYSA-N 569.109 9.538 50 10 KKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2ccc(I)c(Br)c2)C1 721619502 GYXFUIXAEZMPDB-MNOVXSKESA-N 515.027 5.126 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 1083942677 AIGDCTOWUSALFU-UHFFFAOYSA-N 548.064 5.816 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1C#N 1084110747 ZGTNATSMMURKDT-UHFFFAOYSA-N 504.340 5.418 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084145458 DLTGAPSBZJPSPM-UHFFFAOYSA-N 734.388 7.891 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084220316 CFGSHULJHNGVMD-UHFFFAOYSA-N 580.470 6.132 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc(C)cc3C)c2C)cc1 1084284264 WQINMNAYVRDCGS-UHFFFAOYSA-N 502.703 7.389 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O 1084404395 HJHCIENUGLIHDY-UHFFFAOYSA-N 518.411 6.083 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 1084493070 RZWKHEHBECOKQV-UHFFFAOYSA-N 545.275 6.036 50 10 KKGE CCOc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084586227 NSURTSFTPAWCCZ-UHFFFAOYSA-N 520.438 5.046 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)c(C)c1 1084597782 GTEOPGJFUAJMIZ-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084614630 UZDXZGZRGSLDBJ-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(F)c1 1084638352 SXSTYGWGSIBRQZ-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE O=C(N/N=C1\c2ccc(Cl)cc2C[C@@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(OC(F)F)cc1 1614330632 BOAOJCYKACEXMB-JIDIRTRFSA-N 537.325 5.614 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748200 ONNTZAUUFHYLBT-UHFFFAOYSA-N 578.250 5.203 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCN(c6ccccc6)CC5)c(C)c43)coc2c1 1772751804 NDOKSWFTEUMADB-UHFFFAOYSA-N 538.648 5.313 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OC 1865695330 BMQMKZLZUMNIDT-GDLZYMKVSA-N 568.649 6.542 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Br)c1OC(C)C 1865696497 GNSANQDFDADSCW-JOCHJYFZSA-N 561.839 5.809 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700850 GAGDGQZETGATPB-GDLZYMKVSA-N 539.079 6.951 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)c1OCc1cccc(C)c1 1865705291 QNROEKJNGHZZBG-MHZLTWQESA-N 545.014 6.147 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705496 WZUKEBBZZFHHBS-GDLZYMKVSA-N 542.595 6.034 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865707487 XVWZEQONWQJLLL-VWLOTQADSA-N 547.556 6.334 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711635 DFGQNWHOOJVLQU-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE O=C(Nc1nnc(CCl)s1)[C@@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865903177 CETFSTXRZSZGNX-SECBINFHSA-N 930.469 5.541 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(F)c2)n1 1868253886 XCZFVFPOZIXIFH-WJOKGBTCSA-N 571.678 6.291 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 1872792459 AHMZZGXIIISZTF-KOEQRZSOSA-N 502.639 8.232 50 10 KKGE Fc1cccc([C@H](Br)c2sc(Br)cc2Br)c1I 1922886075 WFRDXUZQCQYWFL-VIFPVBQESA-N 554.842 6.501 50 10 KKGE Cc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579693 IROAECJYAURFJQ-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924594778 PSBBWIAVGLVAJT-SECBINFHSA-N 542.287 7.265 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924601325 WYWRSWZVXIDCAK-JTQLQIEISA-N 554.323 7.135 50 10 KKGE CC(C)(C)c1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924601733 ZHIFNVMNXATKMC-GFCCVEGCSA-N 501.509 7.661 50 10 KKGE C[C@@H]1CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614183 MZBYVRNUNVECFC-BKPPORCPSA-N 509.927 7.298 50 10 KKGE CC(C)(C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924615735 FRUKUSHKBMTOTJ-LLVKDONJSA-N 537.981 8.078 50 10 KKGE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccnc2ccc(OC)cc12 1988182089 AXFIWPFNGAOZKQ-MFZXWPQSSA-N 611.726 6.369 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccsc2Br)c1Br 2024282379 LINLDWKTCYLWGN-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1Cl 2048156854 SURFKHUNCJPRNB-RXMQYKEDSA-N 562.734 6.513 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2occc2Br)c1Br 2081054106 GFZHGIFGAXQJCX-GFCCVEGCSA-N 501.838 6.668 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCCN)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2086856645 JJPZSMUAMNLJOE-RFMFGJHUSA-N 992.244 10.489 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(CC3CC3)s2)c(I)c1 2142276564 FGVCBOZIIMLODY-HNNXBMFYSA-N 512.048 6.552 50 10 KKGE CCCCCc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 2197259394 WQGYMWVMNAGQDE-MRXNPFEDSA-N 528.091 7.332 50 10 KKGE C[C@@H]1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206396566 YLMKNTYUOLKTOK-KBEMCWPLSA-N 554.342 7.220 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206396849 BMESISPWWSGQHE-GFCCVEGCSA-N 592.745 7.230 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)c(C)c1Br 2220153481 AGLKGSJSSVAWPJ-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2233970668 RENGRBGWWWLGNJ-AWEZNQCLSA-N 505.834 7.403 50 10 KKGE FC(F)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2257858195 CFTJNQLORZYWCI-WYDQCIBASA-N 531.880 7.153 50 10 KKGE CC1(C)[C@H]2CO[C@@]1([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2260741159 XTXZLPPNPXWHPP-XIGBOZDYSA-N 523.910 6.287 50 10 KKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sc1Br 2263450937 RVQYXVKMUMHKIV-LLVKDONJSA-N 517.906 7.023 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1scc(C(F)(F)F)c1Br 2282785446 UKIHTKJFEMBQLT-SNVBAGLBSA-N 543.943 6.757 50 10 KKGE COc1c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)csc1Cl 2284303292 GLJTWXJGWLQGGW-QMMMGPOBSA-N 633.219 7.944 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 2296544423 BXOSPFNECNZGLU-UHFFFAOYSA-N 545.393 5.502 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647850 NKQJYOYMHCFIKU-UHFFFAOYSA-N 817.228 6.685 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2)c1C 2296789912 BDHHUBVZQJWQRT-UHFFFAOYSA-N 520.661 6.647 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2296790195 VUOFHMMVCDBNBI-UHFFFAOYSA-N 521.425 7.451 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2297458658 QRNWTAZWVSYATF-JOCHJYFZSA-N 522.399 5.653 50 10 KKGE Cc1cc(C=C(C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1CCC(C)C 2297486954 PMNUSBNDSPPTRY-UHFFFAOYSA-N 537.607 6.493 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1 2313571153 ONTYYSOGTOJRLD-UHFFFAOYSA-N 560.250 7.748 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1 2313571209 PVQFDIAGWHVVPN-UHFFFAOYSA-N 627.693 7.775 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313681147 NEAVUQKQDLWDGS-UHFFFAOYSA-N 535.747 7.246 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448162 FMWHTYUQQKSPHM-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593888 VOEKGRPSBSFWDD-AREMUKBSSA-N 516.066 6.206 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314616629 GALOBLVRWMYNKP-UHFFFAOYSA-N 534.660 6.560 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314620560 QONUVAUCGLSZLB-UHFFFAOYSA-N 591.111 7.328 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5Cl)ccc43)cc2)cc1 2314640629 FOYNWAPDDFEQTJ-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)cc1 2314646569 CXMPBBABWXNUIB-XIFFEERXSA-N 710.812 6.352 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)NN=Cc3ccc4cc[nH]c4c3)cc2)sc(C)c1C 2321698114 DFPKRIMLYNRQKR-QGZVFWFLSA-N 532.622 5.193 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331294250 HIJIOLBAEMYJGE-UHFFFAOYSA-N 500.761 5.315 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCCCc1ccccc1 2331444000 XEKGWMJSNSTEAQ-UHFFFAOYSA-N 521.469 8.201 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1sccc1I)CCCO2 2343595204 NEOGMZQMCUWIBO-ZDUSSCGKSA-N 514.020 5.925 50 10 KKGE C[C@@](CBr)(Cc1ccc(I)c(Br)c1)C1CCCCC1 2349841557 SWRXUGDWYUNCSB-INIZCTEOSA-N 500.056 6.578 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1scc(Br)c1Br 2380934764 MTMKDAOECSDVOJ-CQSZACIVSA-N 501.509 7.796 50 10 KKGE Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Br)cc1 2727557 FLNHTZWVNXQMBZ-XMMPIXPASA-N 523.496 6.809 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739711 HOVCOOOTDHCZQZ-CHTIKVTKSA-N 502.039 5.434 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc32)cc1 33353931 KZESFQZYNGPCAA-ATVHPVEESA-N 520.954 5.294 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651781 LDLRBCHFPUZYBE-AREMUKBSSA-N 519.395 5.775 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38660286 VWOWYSKKPQHYPC-PMERELPUSA-N 528.605 5.775 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 96438732 JJJQZSQPPPOXMJ-UCQKPKSFSA-N 527.024 6.432 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100425620 QCMWLQJBSRIVRL-UHFFFAOYSA-N 606.355 6.393 50 10 KKGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccc(Br)c1 100974225 BJOAKKLECKPDNB-MWLSYYOVSA-N 567.534 5.721 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242689 POHCKRAJAJKVCT-VHAPMWFVSA-N 526.445 5.946 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101334395 QGKIGFYYEOGTJL-XLRFWQNOSA-N 597.741 5.351 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101337733 LKHKFTHOIMQONM-DYDGXOQUSA-N 608.673 7.611 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369457 VGZFBKVZFKFORF-JCOAXYOVSA-N 532.596 6.632 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379582 FCALQKCKKKOALD-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(C)cc1 101385133 VSKOBVXHLYZEMD-HKBQPEDESA-N 548.595 6.029 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385690 XYJXCZKHGISCQU-UAUHYJHGSA-N 621.133 8.062 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101387316 AJKCXBMRFKYIAQ-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101395321 ZMVVYGFBZFZFFM-HHHXNRCGSA-N 575.086 7.570 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101398045 GUBQSPBUAOHATK-MUUNZHRXSA-N 565.050 7.571 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)oc2c1C 101398153 REGHZDCTCQOJOR-HKBQPEDESA-N 556.618 7.374 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405869 KOUOAVIBPSSHAP-ASYBXRLASA-N 618.715 5.245 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 101727397 NWEZDTGQSCBGIG-KPGMTVGESA-N 580.175 7.591 50 10 KKGE N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(I)c2)cc1)c1nc2ccccc2[nH]1 102516732 BPIASNADKZOPIM-ATVHPVEESA-N 520.330 5.249 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2s1 102842618 ZJNWYSMKVPSJFF-PYCFMQQDSA-N 553.669 5.234 50 10 KKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(Cl)Cl)[C@@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 103033732 WLUXRCVYZYIKCM-JOCHJYFZSA-N 523.338 6.733 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 103742204 ZEHCMHPRDWGWQS-SCIJIFGBSA-N 539.400 5.967 50 10 KKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 103878791 QJPDLWYACVHOBZ-CCVNUDIWSA-N 531.366 6.179 50 10 KKGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1 104614760 DKNJCXNFEYEIPD-LHZOGEGNSA-N 541.607 5.052 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104993817 OAJUYRSXXHIKMZ-FAJYDZGRSA-N 546.849 5.542 50 10 KKGE CCOc1ccccc1N/C(SCc1c(F)cccc1Cl)=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1 105423050 YQKBOBNXWDHUBG-BRPDVVIDSA-N 570.086 6.334 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150462867 BQDUNFUFFBVFFH-HKBQPEDESA-N 655.476 7.668 50 10 KKGE ClCc1ccc(C(c2ccc(CCl)cc2)(c2ccc(CCl)cc2)c2ccc(CCl)cc2)cc1 169656138 PFFJEPUAQWBQMR-UHFFFAOYSA-N 514.323 9.025 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2Cl)cc1OC 169691526 ZTUQICPTLSMTBK-DOPYIHRPSA-N 521.485 5.403 50 10 KKGE CC(=O)O[C@@H]1C/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 201040100 CXNFJAQYWVJXHD-WSLDONEOSA-N 674.979 10.212 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccccc2[C@H](O)[C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)cc1C 209147305 ZICVMKMSLYQVHO-FAIXQHPJSA-N 655.735 7.595 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C2=O)cc1 214402862 QKNBKOAXWDVDCO-CEUNXORHSA-N 544.611 5.391 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1Br 224863685 DGLINCVAPFIDNQ-JTQLQIEISA-N 549.904 6.537 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]12 245189646 YWYUPQAVHUSVGI-ULWCSNGHSA-N 546.868 9.109 50 10 KKGE O=C(COc1ccc(Br)cc1)NN=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 245285434 XIDBNPKMVCXSTR-UHFFFAOYSA-N 580.262 6.050 50 10 KKGE CC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252611693 ILQRKCOELXSRFU-UHFFFAOYSA-N 507.344 5.412 50 10 KKGE CCCCCN(CC)c1ccc(N=Nc2sc(C=C(C#N)C#N)c(-c3ccc(O)cc3)c2C#N)c(C)c1 254308946 UZYIMFHAWFZJLE-UHFFFAOYSA-N 508.651 8.163 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@@H]3CC[C@@]12C 254371676 UOMMDIWLOYTRIE-FFMSKXBNSA-N 610.583 8.995 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nnc2-c2ccc(C)cc2)cc1 254401181 AWFCRCFQISETAO-UHFFFAOYSA-N 507.619 5.647 50 10 KKGE O=C(COc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 254554977 NAPXDXUUEWGKOO-UHFFFAOYSA-N 612.686 6.138 50 10 KKGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)CC3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256018967 CMPZMVHCCCRHQS-MJTLGKCTSA-N 859.956 7.029 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2Br)C1 382687633 KMFHTINFMRDJLN-PBHICJAKSA-N 532.070 5.959 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2Br)C1 394680671 YMJFNWBYNLDOKK-WMLDXEAASA-N 534.619 5.890 50 10 KKGE ClCCc1nc2ccccc2n1-c1cc(I)cc(I)c1 690391602 IXMWMYSWHVVAQC-UHFFFAOYSA-N 508.528 5.016 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)c(F)c1F 705478430 WKWULYCCKGQARY-QMMMGPOBSA-N 543.822 6.937 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 721616664 VHKDUZSVTPWNAC-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)s1 721720040 REHMXFPKUPTXIO-NSHDSACASA-N 519.999 5.885 50 10 KKGE COc1cccc(C(C)=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 725387206 YDMPREOAESJHJR-UHFFFAOYSA-N 562.091 6.207 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1083875706 UAQNKYMRJDOHLR-UHFFFAOYSA-N 571.699 5.627 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1C 1083945420 WOWWLMDZALLCKV-UHFFFAOYSA-N 502.083 7.421 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1C 1084161828 XBRSTVAUVODRIY-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1Br 1084217813 LDNJLPMCCBMGNL-UHFFFAOYSA-N 511.217 5.979 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084258144 MIJLCENOTPLYIQ-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE Cc1ccc(C(CSc2nc3ccccc3o2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 1084300217 KLADBULZZNJXGT-UHFFFAOYSA-N 505.512 5.187 50 10 KKGE COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC 1084335805 PMMINZFTFARJFO-UHFFFAOYSA-N 594.067 7.106 50 10 KKGE O=C(Cc1ccccc1)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)cc1 1084344486 QLICVDYMSLYRPZ-UHFFFAOYSA-N 556.416 5.613 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1)c1ccccc1F 1084560696 CILCXORCXUOJEU-UHFFFAOYSA-N 640.505 7.818 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Br)CCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536948 FZJXXSXLNFVUGM-DOKJZSFYSA-N 563.705 10.182 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751323 NWAMLVVUKCWILG-UHFFFAOYSA-N 506.484 5.878 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)c(Cl)c1 1772760511 JUKFNDBMPMGDON-UHFFFAOYSA-N 515.422 5.700 50 10 KKGE C[C@H](CO)[C@H]1CC[C@H]2/C(=C\[C@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848438757 IBEQKCPJQRESJT-YQOQJSGHSA-N 639.104 8.426 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)ccc1O 1865681791 WZJFFWQIUUDFKR-NDEPHWFRSA-N 530.584 6.024 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)c1 1865685471 JDQMJODUGXDXGL-DEOSSOPVSA-N 501.417 6.740 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4c(Cl)cccc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688915 FHIZNEKEUNRNSJ-VWLOTQADSA-N 563.441 6.208 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865692097 IZIFRWJLLYMASZ-JOCHJYFZSA-N 578.294 6.656 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693146 RTYMGJCINXOTKP-RUZDIDTESA-N 559.022 5.504 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700660 AMPJQXZKHBQREI-PMERELPUSA-N 547.058 7.429 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700842 FRPRILFQDJYPKA-HHHXNRCGSA-N 532.003 6.385 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701487 WSHRGVJAWYUZLB-LJQANCHMSA-N 544.247 5.251 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1 1865704256 RHUWBHPZMJAISY-RUZDIDTESA-N 563.441 6.208 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705143 NJRSIBLDKRODNN-NDEPHWFRSA-N 520.633 6.247 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(Cl)c1O 1865707457 XGRRMDYFKAORDU-VWLOTQADSA-N 520.976 6.278 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865712597 CLOGTBAFNMJOEF-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](C)c2ccc(Cl)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866716793 UNXSVLIOOYLTEN-QYBDOPJKSA-N 536.053 5.698 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868231387 FLQUFOQLEANIIJ-UHFFFAOYSA-N 507.107 6.325 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433355 JIYSGAIESOFFFW-VWLOTQADSA-N 557.054 6.199 50 10 KKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 1872746582 OKKWXNSFWDPJBM-FXBPSFAMSA-N 513.373 5.267 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747046 LLXSYZIJILQJCH-MNDPQUGUSA-N 520.792 6.786 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccc3ccccc23)cs1 1872752164 PQHWMSWLZXFLSZ-SGEDCAFJSA-N 513.578 6.709 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 1872756350 YDLVJRXHKJZGNK-ZESIPNTPSA-N 500.407 5.967 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1ccc(I)c(Br)c1 1904375772 IRSYGNCWQNPRBL-MRXNPFEDSA-N 563.068 5.249 50 10 KKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 1912688013 UWWZLQYVUUWUDZ-LJQANCHMSA-N 542.880 6.709 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066486 QFHYRPLUFPBTBX-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE CC[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924611619 CWBGCNOVPUOUDR-SFYZADRCSA-N 525.970 7.934 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(F)c1I 2030225609 FLPMIBPWFVXHFI-LBPRGKRZSA-N 504.000 6.301 50 10 KKGE CCc1nc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Br)s1 2050330499 DIVFJUJXBPOUIE-SSDOTTSWSA-N 538.950 6.847 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)sc1Br 2083341355 YNOGUFVWCSYMHA-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1csc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Br 2136370076 HKNWQPOYSYKQNC-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2141468918 PEFUFHSINIYNPB-SNVBAGLBSA-N 645.607 6.717 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cccc(Br)c3Br)c1)OCC2 2148750629 MNZWGBUWIXEZQD-ZDUSSCGKSA-N 525.860 6.393 50 10 KKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1cc(Br)ccc1I 2156325896 IFLOAHROTOYUHD-SNVBAGLBSA-N 517.043 5.231 50 10 KKGE CC[C@@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206397257 HDDSZFWZUZDTJX-IUCAKERBSA-N 598.837 8.635 50 10 KKGE O=C(c1cc(I)ccc1Br)N1CCCC[C@@H]1CCCBr 2206675774 WKHOWCVLEDYMLZ-GFCCVEGCSA-N 515.027 5.224 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nscc2Br)c(C)c1Br 2220157674 RWDZVNSMUZGGBX-NSHDSACASA-N 518.894 6.532 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)s1 2233013279 IEAGAQSCGIQELP-CYBMUJFWSA-N 534.026 6.275 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 2234058223 OXTHOEGYOFEYNG-CQSZACIVSA-N 513.705 6.772 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277955239 IODJOFKWOYYNAC-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(F)cccc2I)c1Br 2282787842 VGTNFEUASDYHPY-OAHLLOKOSA-N 532.416 6.900 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2293198308 SCSASIUWLRRGOO-QHCPKHFHSA-N 552.881 5.845 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC(Br)=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293713034 GGVNDHQGYVGGTP-UHFFFAOYSA-N 588.575 7.170 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(C)ccc1I 2295267143 ISPFDDANNLDCPV-CQSZACIVSA-N 530.425 6.508 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521404 LKNOLKQNZULEJQ-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(C)c1 2313567292 IHZBFPTYMQJIRR-UHFFFAOYSA-N 593.465 5.443 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1Cl 2313567552 LPRZDJBTCVPFFV-UHFFFAOYSA-N 580.910 6.336 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314448857 KZQIGIPVKMEQDE-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2314500381 MWPUOZMJNHQBKT-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314617128 RDSBFJWJBCIWRP-UHFFFAOYSA-N 520.677 6.265 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314619052 ZBFUWYOOEJDNON-UHFFFAOYSA-N 543.627 5.822 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634801 NGCHNIQIYNCBFJ-GDLZYMKVSA-N 531.008 6.364 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1 2314640669 JOEIILZKAKNNGO-SSEXGKCCSA-N 510.590 6.101 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643351 UZIBZWLAYWVHAV-XIFFEERXSA-N 647.942 8.461 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 2331373119 BOLFHYMDUCYJII-AWEZNQCLSA-N 519.848 7.112 50 10 KKGE Brc1cc(Br)cc(CO[C@H]2CCCCCC[C@@H]2I)c1 2337096908 JBXRMHPQXHZDOJ-GJZGRUSLSA-N 502.028 6.255 50 10 KKGE Cc1c(F)ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2338567013 UVWXELBVHMRGPZ-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(I)c1 2340045188 DLWNXEFGQHNUNM-CYBMUJFWSA-N 579.295 7.148 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Cl)cc(F)cc2Cl)c1Br 2340800871 DQLONTHHJFYSES-JTQLQIEISA-N 511.863 7.512 50 10 KKGE COc1ccc(OCc2ccc(I)c(Br)c2)c(CBr)c1 2377287862 QUKFMBYZHTYJJU-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 6905699 HOXNVDVFMUABAV-WMZJFQQLSA-N 515.545 5.327 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4ccccc4c3Cl)cc2)cc1 12492021 UDQKRYCTAOPWHM-UHFFFAOYSA-N 506.027 6.179 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 34983874 YPQKWCBTYORQIT-XMHGGMMESA-N 504.506 5.559 50 10 KKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446218 UBBSDEAPGSRKHO-JJIBRWJFSA-N 510.569 5.317 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)sc2c1 38687673 HXOXRVSOANXQRB-JOCHJYFZSA-N 507.398 6.954 50 10 KKGE COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 40791270 FRZZZMXPCYANGO-COCIYFACSA-N 505.699 6.379 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(Br)c1OC 40911965 ZJOAVJODGQWDLP-LQKURTRISA-N 511.416 5.321 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1OC(C)C 97914873 QMFNNKLCPOFZBS-NDEPHWFRSA-N 519.126 6.320 50 10 KKGE Cc1cc(Br)ccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100082372 PWJTZLKZRWHQKN-UHFFFAOYSA-N 597.535 5.022 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 100210306 PWWNXCSTDUBUCM-UHFFFAOYSA-N 538.442 5.147 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 100238883 XUXRTKWLWLSKND-SNWZXBDOSA-N 550.793 5.633 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 100453037 QFJYAPUVBSCUGP-OADPBGPJSA-N 583.253 6.141 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 100883462 CBGNLROJTRJECK-XHPQRKPJSA-N 545.042 7.626 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 100919905 WJQQTPCXGQDDKQ-DTQAZKPQSA-N 564.695 6.157 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101335019 DRKDFBLEFZDBNF-UZWMFBFFSA-N 611.101 7.564 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 101338962 VYOYHISGXNUYNC-YZSQISJMSA-N 555.078 6.906 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101368244 KQXUYOQBDURYNS-LJAQVGFWSA-N 532.568 5.462 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380280 HPGHVJFPGYOFCM-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc(OC)c1OC 101393449 CVZLMFHJQVXESM-QFIPXVFZSA-N 583.449 6.671 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101393618 IQHIPYYZIAUOPD-DEOSSOPVSA-N 610.258 6.712 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)cc1Cl 101394689 NBJSMHGWGBUVJO-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCCC(C)C 101395782 ABDJUHZLGWVGBM-SSEXGKCCSA-N 566.610 6.054 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598293 KLXSQAQPXSXXOB-STKMKYKTSA-N 531.971 6.896 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1c(Cl)cccc1Cl 102007109 BAKNQYKZRVKYQK-KKMKTNMSSA-N 532.474 6.433 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1I 103728739 XQVGLIFVOZKKCX-XODNFHPESA-N 575.859 5.779 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl 103796719 TXEHMIOBHPLXJV-KVSWJAHQSA-N 548.220 6.854 50 10 KKGE C[S@](=O)(=N/C=C(/C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2cccc(F)c2C#N)cc1 104187295 OANCZMPUXHWUAC-ZJGGIYETSA-N 550.515 5.199 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(C)cc3)cc2)cc1 105403310 UNYILSQSUGGWAZ-SGWCAAJKSA-N 554.650 7.371 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)cc1OC 128551076 PYFKDWZAZKLILI-LBPRGKRZSA-N 549.904 6.537 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 150428507 HSFIWVYEJZLKIV-LUHMOWLYSA-N 706.202 7.302 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(C)cc1 150463376 FXZBJAIAUPRRTE-AREMUKBSSA-N 638.545 6.481 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccc(Br)cc12 150483000 XAUDSYOXPNHWSL-PMERELPUSA-N 625.450 7.659 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1 164651239 RXOHIRHTMKXLDZ-ZSNJKBEMSA-N 720.405 8.171 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214261008 SSQKYFULYULIFV-GJDRTLBCSA-N 542.639 6.509 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 214348672 OKMBKDJPVKDOPA-IMRQLAEWSA-N 524.580 6.120 50 10 KKGE Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 217249578 AFGUHSXUTTWRCP-LUAWRHEFSA-N 505.665 5.730 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(I)ccc1Br 236029948 WIHGUOLOXYRWAU-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE CCC(=NNC(=O)/C(=C\c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 252590318 ARJOVTNWIHTYCT-QSCROOKRSA-N 544.699 6.901 50 10 KKGE O=C(NN=Cc1cn(-c2cccc3ccccc23)nc1-c1ccccc1)c1ccc(COc2ccc(Cl)cc2)cc1 252609853 HWJLZKXCEJSONC-UHFFFAOYSA-N 557.053 7.689 50 10 KKGE CC(=NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1ccc(NC(=O)c2cccnc2)cc1 252610213 HZILBBGKEDUGJP-UHFFFAOYSA-N 508.365 5.758 50 10 KKGE CC(=NNC(=O)c1ccccc1Br)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 252623910 PCBKNIWWMFMJPA-UHFFFAOYSA-N 505.199 6.162 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 254382708 VRQSWPAPRNPQON-UHFFFAOYSA-N 515.404 5.921 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1O 254557051 CVPIASNAPAFOKN-QGZVFWFLSA-N 521.046 5.219 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OCC(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254704770 FKNVCUUBCUVVGF-UHFFFAOYSA-N 557.676 5.246 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c(O)c1 254747374 BILSTGIVGFJSEV-UHFFFAOYSA-N 537.736 5.778 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254748611 ARLQGYWPRYIQQJ-KPVCSSHASA-N 518.042 5.725 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2 254791821 VOLRUIFTBDVRHN-UHFFFAOYSA-N 516.557 5.611 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 256018998 FJHQZJIDQBXWEZ-XGFFMVSESA-N 623.382 5.848 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)[C@H]2Br 256022801 DBBZTWAZVNDQJK-JVPBZIDWSA-N 689.862 7.351 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)sc2Br)c1Br 302615819 MFMCIEYPPMTWTE-ZCFIWIBFSA-N 563.878 7.600 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2Br)C1 382698455 ZAOSNEUWWMKKTK-MFKMUULPSA-N 545.053 5.597 50 10 KKGE Clc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)ccc1I 383231878 BHTGEPIYPMRZLU-AWEZNQCLSA-N 530.958 5.812 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575346782 NOATULMQVVEPQO-FEDRVQBRSA-N 904.120 8.120 50 10 KKGE Clc1ccc(I)c(CC(CBr)(CBr)C2CCOCC2)c1 696811201 DQRWVIGPZMDPRF-UHFFFAOYSA-N 536.473 5.690 50 10 KKGE BrCc1cc(Br)c(OCc2ccncc2Br)c(Br)c1 702846739 ZCYLZGDLZFSZPL-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE Brc1cc([C@H](Br)c2sccc2Br)ccc1I 721588845 PZAFBMABZXERGH-JTQLQIEISA-N 536.852 6.362 50 10 KKGE COC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 725417061 DNEARUTUWYZAFK-OYQVZKCKSA-N 539.997 6.328 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(OC)ccc1OCc1cccc(Br)c1 1083888478 CKAQPMOWPLLTHO-RUZDIDTESA-N 626.345 7.260 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(Cl)c1 1084059138 SVCHPMUSGGEILI-UHFFFAOYSA-N 510.424 7.882 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 1084121935 NQOCPYCBMICOIM-UHFFFAOYSA-N 609.645 6.796 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1 1084138930 YRQBEPDUAMGCST-UHFFFAOYSA-N 503.602 5.459 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1 1084175104 YQEBQVZTTRIUKO-UHFFFAOYSA-N 597.331 5.793 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084222441 WSQLELKMRIPTRW-QFIPXVFZSA-N 570.698 6.952 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084393595 GLHWBWKBGXLNIC-MHWRWJLKSA-N 536.640 7.534 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084399776 HHRAFUZWPDTFMF-UHFFFAOYSA-N 559.644 5.086 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1084402920 COIFMBWUECFJOM-DEOSSOPVSA-N 556.413 5.299 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084408831 RTCZRWRAPXUFSA-QFIPXVFZSA-N 566.279 6.307 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 1084485889 SXUWHSFGAVYWPQ-VWLOTQADSA-N 511.018 5.680 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 1614624750 DUFHNHJTNLSJNH-WMLDXEAASA-N 523.720 6.146 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1C 1772754956 CJCIYWPSNNNQSJ-UHFFFAOYSA-N 582.545 6.711 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772756111 YYVPZZLVIUWRFX-UHFFFAOYSA-N 546.259 5.882 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848436615 OYSKUZDIHNKWLV-FWMRFGHPSA-N 663.406 6.422 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)ccc1O 1865680980 BNAHKGNGSLGPSZ-HSZRJFAPSA-N 529.394 5.624 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685373 HRDNKHQGVVLDJI-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865690922 FBPUZMPGWUWUOJ-HSZRJFAPSA-N 567.484 5.993 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865690973 GHESOCPUHZPOLL-HXUWFJFHSA-N 503.441 5.414 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698079 JULCKAFJCBGTCE-QHCPKHFHSA-N 537.458 5.579 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704983 JNIPHZXJPIPFIW-VWLOTQADSA-N 561.425 6.187 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705539 YSOKMXWBTVSTLS-NDEPHWFRSA-N 540.579 5.985 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705648 AXKUSRXTMGBVRW-HSZRJFAPSA-N 548.386 6.040 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706406 VZGIQOOJOLGSRM-AREMUKBSSA-N 527.024 6.202 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707800 GOZZNPFLMOHMSK-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2ccc(C)c(Br)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867243449 IQLGZJGDCHUVST-RUZDIDTESA-N 566.477 5.165 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCCc4ccc(N5CCCC5)cc43)nc(-c3ccc(F)cc3)n2)cc1 1868456884 WDCFPXOKYGWHOH-UHFFFAOYSA-N 522.653 7.284 50 10 KKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@@H]3C2)n1 1868480849 VKUBQLQEJUBDEB-QFIPXVFZSA-N 505.047 5.436 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)c(OC)cc43)n2)cc1 1868527480 BSPDIAKHBKMRAZ-UHFFFAOYSA-N 525.634 6.570 50 10 KKGE Cn1cc([C@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c2ccccc21 1868565866 OSVRVYGMAPKQPN-MHZLTWQESA-N 532.633 5.025 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743690 HHSHRHQOVGRBLB-YVARBQMLSA-N 505.643 7.194 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 1872790975 OOTVIOJWAQZRQU-HZHRSRAPSA-N 517.050 7.904 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Br)c1OC(C)C 1872791327 DNRSLPOHCPTZCA-CAOOACKPSA-N 513.413 6.204 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2csc(Br)c2Br)s1 1901028673 NKGQHZCTRBPQRZ-SSDOTTSWSA-N 532.875 6.921 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915204471 PJLYBWFCWJZHCE-SFHVURJKSA-N 518.620 5.714 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)s1 1924570236 GUROVYCGBWKUHB-ZETCQYMHSA-N 525.907 6.590 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 1924609502 YORJJNDYCCREIR-APPZFPTMSA-N 521.938 7.442 50 10 KKGE CCCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 2027123338 XPDKCISCXMRTDA-AWEZNQCLSA-N 500.037 6.552 50 10 KKGE N#CC(=CNNc1nc(-c2ccc(Cl)cc2Cl)c(Sc2ccc(Cl)cc2)s1)C(=O)C(F)(F)F 2040742108 XPURCIBJXAXRQP-UHFFFAOYSA-N 549.814 7.377 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(I)sn2)c(F)c1Cl 2081849135 UURUQVGNSPUZOV-QMMMGPOBSA-N 529.369 5.926 50 10 KKGE CC(F)(F)CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495500 QWUBJNJAEZTZIX-RXMQYKEDSA-N 578.709 7.608 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(Cl)c1 2086149755 RYGFIYRSZRPFHO-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE COCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141468642 LZVCNZJLZCSDPC-LBPRGKRZSA-N 540.315 6.833 50 10 KKGE CC[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141473475 PGXQLWNLMJHELM-WDEREUQCSA-N 590.720 7.608 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(Br)c2c(c1)CCO2 2146628892 PKZCNOFEBWGLGX-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Br)sc(C)c2C)c1Br 2201061992 KGVGAQYZIKKYQH-CQSZACIVSA-N 501.509 7.597 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2I)c(F)c(F)c1F 2207275881 QDHLZCKKRPGSIE-JTQLQIEISA-N 523.887 6.094 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)cc(C)c1Br 2220199894 IVASGODIJQSMMV-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)s1 2233015580 RSAVMQROIPJCMR-MRVPVSSYSA-N 507.473 5.681 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Cl 2237453260 MXYPGVXPGGURQG-ZDUSSCGKSA-N 501.871 7.506 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2C)cc1I 2257364057 FBSPJQPVZDLWTB-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CCCCC23CC3)c1Br 2264961136 KNKGSAAXBKLZCH-BDAKNGLRSA-N 535.965 7.832 50 10 KKGE Fc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)cc1Br 2282969523 DFQCNCKAQQDFMI-JTQLQIEISA-N 505.834 7.336 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295345809 QUEOBXFWDINKLX-AWEZNQCLSA-N 546.322 7.615 50 10 KKGE N#CC(=Cc1ccc(OCC=Cc2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295623521 RAQDXTHIOMYXBG-UHFFFAOYSA-N 542.642 5.582 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)c3nc4ccc(C)cc4[nH]3)cc2Br)cc1 2297296067 KLWJQYTXUZLGMG-UHFFFAOYSA-N 537.255 7.348 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc(I)cc2)c1 2299534299 BWOUUZNBZUMQJV-HXUWFJFHSA-N 558.051 7.117 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521305 FCXXAHWUSKFTCG-UHFFFAOYSA-N 539.857 7.243 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 2313567401 GSFQVCKQYKAQQV-UHFFFAOYSA-N 505.387 6.750 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591662 AQWRTCSNKAKIMX-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591738 CPDCYNIJEYRLHB-VWLOTQADSA-N 552.483 6.766 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594137 ZPFOOOYYNLDQPT-LYZGTLIUSA-N 525.674 5.951 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314617367 WWJJJFLYRTWRNS-UHFFFAOYSA-N 593.437 5.823 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618127 HQRPMTQXWFTHAG-RUZDIDTESA-N 556.666 6.990 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1C2 2334326960 HKTLWZPXWQMHHR-JPHADGFYSA-N 536.327 7.453 50 10 KKGE CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(B(O)O)cc2)cc1 2356096719 CTERSMZPHAIIBU-UHFFFAOYSA-N 545.573 8.315 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1C1CCCC1 2358265425 RZEMHACWSNKFCO-IQMYEBEASA-N 550.354 7.843 50 10 KKGE Clc1ccc([C@@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362241036 SUGZUKYGUWFOOZ-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Cc1ccccc1[C@H](CI)OCc1c(Br)cccc1Br 2366182059 DSXGEAYOJYEKBZ-INIZCTEOSA-N 510.007 6.213 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2366796629 PHAFCBFVORDBHZ-OAQYLSRUSA-N 529.099 8.404 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl 8451675 LGCJHTDBYVZJRI-AREMUKBSSA-N 712.368 6.209 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1OCCOc1ccc(Cl)cc1 33404400 ZZVPHBLUFZJYPW-PDGQHHTCSA-N 501.797 6.959 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 34859035 SINHUJSGNJMBSO-WGOQTCKBSA-N 526.589 5.323 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 34983876 YPQKWCBTYORQIT-RGEXLXHISA-N 504.506 5.559 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38683663 GOUNHMWMYYQSMO-XRHLQHRESA-N 512.562 5.188 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCCCC)c2)cc1 40530018 JSGUIEKHHMGEES-LJAQVGFWSA-N 510.590 6.258 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 40911006 IWRJNEILJXATNV-JFLMPSFJSA-N 505.453 5.988 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 58891950 DGEYXCCYISRIPS-PEHSQKLVSA-N 525.418 5.860 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1 59680075 PFXLKWSVGCZULQ-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 100238650 RMPUSSXUVVYTHR-DVMDLWDRSA-N 620.459 5.771 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869746 UTPFJHICSWRMSL-KCSSXMTESA-N 558.587 5.013 50 10 KKGE CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 100918967 DWEFOAFZTVKXLF-MCGPWRGYSA-N 521.853 6.815 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 101340140 NBIDESONQMAGDM-MTDXEUNCSA-N 559.582 5.291 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C(c5ccccc5)c5ccccc5)ccc43)cc2)cc1 101378937 CYXAZRZIFNAKOA-BHVANESWSA-N 578.668 7.530 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381701 VDXIXCBWBSMIRZ-KEEVHDRGSA-N 536.559 5.996 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101383821 FURQEOVVAKIHTI-LJAQVGFWSA-N 605.449 7.548 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385087 TUGWLHWNQZNEPR-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101388233 INKDBLVUCJBATC-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1Cl 101390052 NIUVDDVVRYNTRY-HHHXNRCGSA-N 551.470 7.733 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101393199 UXQHBBFZAPSTHB-MHZLTWQESA-N 583.468 7.017 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)oc2cc(Br)ccc12 101393985 POPIYPXEOVMSRH-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101395894 YQJCBOFBVZKLTF-WJOKGBTCSA-N 580.637 6.588 50 10 KKGE O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c1 102937551 MBFVLVBNGDKJKJ-OEJNYSBOSA-N 589.655 6.035 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 103777481 GLMWZYZZXBKDQJ-RGEXLXHISA-N 533.005 7.059 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 103877086 JZKYYDHEYHXGDZ-KEIPNQJHSA-N 530.628 6.411 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 103881140 RJACUWQKXDLASH-KPGMTVGESA-N 560.423 7.085 50 10 KKGE CC/C(=C(/CC)c1ccc(OC(=O)N(CCCl)CCCl)cc1)c1ccc(OC(=O)N(CCCl)CCCl)cc1 105382354 BOIZOYRDXIYMCY-OCEACIFDSA-N 604.402 7.974 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)s1)c1cccc(Br)c1 118671928 LOEJXJTZNXCQEU-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 128235525 LJZAIJNEJZEKNF-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2csc(I)c2)cc1Br 128688344 KDIAABZYPFOITB-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433191 OYAFKNMSFZZKNU-XIFFEERXSA-N 665.957 8.136 50 10 KKGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 150446302 FLIPYVGRYIOFEL-FOXLNIFNSA-N 656.872 6.550 50 10 KKGE C/C(=C\C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)C[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 205474846 YKXYTSHOAIXBSR-HVANDDEDSA-N 692.193 10.862 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205777056 WJACDBCMCPWUEQ-CZECRJHMSA-N 650.732 5.774 50 10 KKGE Cc1ccc([C@@H]2C(C=NNC(=O)CSc3nc4ccccc4s3)=C(c3ccccc3)Oc3ccccc32)cc1 252597227 CQDRZGKXFDYDLZ-PMERELPUSA-N 547.705 7.435 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c(O)c1 252625548 QMKNYZFYQPNQGZ-UHFFFAOYSA-N 501.656 5.187 50 10 KKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254495836 SOUZIWPDSKFWTB-UHFFFAOYSA-N 515.385 5.471 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 254533109 MJDQLMMPGDIKLF-UHFFFAOYSA-N 585.682 5.958 50 10 KKGE COc1cc(C=NNC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1cccc2ccccc12 254738192 LZOWVMDDJYVUFL-UHFFFAOYSA-N 505.530 5.795 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1OC 254742135 XMQBQJMDZWLMOX-UHFFFAOYSA-N 557.720 6.190 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 254764198 RNZYUUIDDSNXNO-UHFFFAOYSA-N 599.676 5.726 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccc(Cl)cc1 256017554 SDQOXAJVOHBCNY-SFHVURJKSA-N 501.410 6.115 50 10 KKGE O=C(NN=C/C=C\c1ccccc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 263631210 LKXQFYNEXHRTHS-HXWODQOGSA-N 517.536 6.597 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 380003367 PWDREEAKTIBPAX-CQSZACIVSA-N 572.860 6.235 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(I)cc2c1OCC2 380107918 OLKUMSFDEVCZJC-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1sccc1I 386290794 GWUGVGVUMFNUHM-NSHDSACASA-N 505.972 5.747 50 10 KKGE CCO/C(=C/C=C\C(=N/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(OC)cc1 585660831 QODGRWQNLKCVSK-LPMGMSMZSA-N 568.677 8.027 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCCCCCCCCCC 605695303 RMBOEEVDXVEBFI-OZKTZCCCSA-N 613.408 12.199 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C[C@@H](Cl)[C@@]43C)[C@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 616582188 MKZGQDFQXQLWNU-IQDLLQDBSA-N 564.998 7.017 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616586289 HKOFRLLVGWKTHV-ONUIULTDSA-N 560.801 5.253 50 10 KKGE C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OCOC)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F 725238065 CFUPHMCMJQFWEG-YRZPMWHRSA-N 917.279 12.198 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)cc1)S(=O)(=O)c1ccccc1 725381721 VRIPXJMWTVVKNV-UHFFFAOYSA-N 625.194 7.524 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725437266 ZYVFSLKGQXESTH-PMERELPUSA-N 577.537 6.939 50 10 KKGE CC(=O)Oc1ccc(-c2ccc(C=NNC(=O)NC34C[C@H]5C[C@@H](C3)CC(c3ccc(C)cc3)(C5)C4)cc2)cc1 886014929 ONQDCKYXKQMHNO-CMUINETFSA-N 521.661 6.511 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083818426 RALYOFHHSKCHRY-BDOCICEESA-N 662.852 7.227 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084168319 ANUNNPJVCUIPAO-UHFFFAOYSA-N 620.197 6.051 50 10 KKGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1 1084304941 ZRPRSAKHIXUEET-UHFFFAOYSA-N 576.889 6.561 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 1084350499 RCDAOXXLZDBSBT-UHFFFAOYSA-N 564.085 7.848 50 10 KKGE O=C(CCc1ccccc1O)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 1084368360 IISLSOHIKMPRIC-UHFFFAOYSA-N 523.552 5.052 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1 1084390796 JLZKOSVBLKQEMR-KOEQRZSOSA-N 560.467 6.151 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 1084433003 JUUAJHIYEHMUBX-HSZRJFAPSA-N 592.861 5.886 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 1084467391 SRRSGEAOQBZVCV-SANMLTNESA-N 547.449 6.154 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 1084519963 UAXZMUPETVNCGG-UHFFFAOYSA-N 653.113 5.498 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 1084626954 LOHQEOHBCNPKJI-UHFFFAOYSA-N 635.833 5.699 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084642624 JNDURWCKAQCNGC-UHFFFAOYSA-N 569.058 5.241 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OC(C)C 1084650607 NQACLBSFMQDYGJ-YBFXNURJSA-N 543.405 5.224 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084657485 PLXRYXSHRGLPHS-UHFFFAOYSA-N 561.092 5.344 50 10 KKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCc1ccc([N+](=O)[O-])cc1)/N=C1/CCc2cc(Cl)ccc21 1615950732 ZCDLAQNHVSZJMW-SXBRIOAWSA-N 532.906 6.574 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748988 VKWNJDZBWHVOOB-UHFFFAOYSA-N 525.436 5.328 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(C)cc1 1772755602 NTVCFHOSBDENTJ-UHFFFAOYSA-N 567.524 6.952 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865687172 LBTJMOCJTXFINZ-PMERELPUSA-N 548.687 7.011 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCCc1ccccc1 1865688675 YEAHSZQJYZEUEV-NDEPHWFRSA-N 527.024 5.742 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OCC 1865691271 ODUUMIICLNQYOD-MHZLTWQESA-N 500.643 6.070 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865693097 RNQPKFXGTCJWEO-HSZRJFAPSA-N 571.903 6.646 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865694982 HENDTLCHSNWSFD-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696183 CRCHBCRLRUUQEM-PMERELPUSA-N 534.660 6.372 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cc(Br)ccc1O 1865696352 MDUOIGWDJAVELR-OAHLLOKOSA-N 556.136 5.340 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698282 PJRQDCBEFLZBJP-DEOSSOPVSA-N 551.485 5.887 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1 1865701236 PQBZTVBWHGUWGE-JOCHJYFZSA-N 553.928 5.745 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712369 WOVOVNKQHTVFIF-LJAQVGFWSA-N 510.597 6.396 50 10 KKGE COc1cccc([C@@H](C)CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867113794 UGKRIGYXMLETBC-RXFWQSSRSA-N 519.692 5.819 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867209750 CQCWCYWKQDNDNJ-FQLXRVMXSA-N 583.685 6.304 50 10 KKGE COc1cccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccccc1Cl 1873795630 USMJVWUMXWFWQX-STBIYBPSSA-N 504.027 5.463 50 10 KKGE C[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898077798 DQTUQUFOINPMIQ-UDJQAZALSA-N 540.713 6.829 50 10 KKGE CC(C)(C[C@@H](Br)c1c(Br)sc(Br)c1Br)C1CC1 1924605067 LZCDBCTZTVHLJY-SSDOTTSWSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2C3(CC3)C23CC3)c1Br 1924612060 ITCMTMYOTBUIMD-ZCFIWIBFSA-N 505.895 6.662 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)s1 1948822920 IPDGQDAVFLYTMD-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ncsc2Br)c1Br 2024282994 OIKHLOGQGUNOFL-VIFPVBQESA-N 504.867 6.223 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CC[C@H]32)c1Br 2025780280 QLDURYOXFRFTQK-RUPFFVNYSA-N 552.724 6.829 50 10 KKGE COc1sc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2034629071 KGSQNWVKABVXHW-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)s1 2050336191 VNPPBISQRVKIRQ-JTQLQIEISA-N 518.894 6.477 50 10 KKGE C[C@@](CI)(OCCOCCOCc1ccccc1)c1ccccc1Br 2056733524 HPPFJIVQUOTCEI-FQEVSTJZSA-N 519.217 5.349 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)cc1Br 2111927287 WNBUPQQYGWHPTC-LLVKDONJSA-N 515.869 5.809 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2I)cc1Br 2202353360 RIQFZMVGXCDHBK-AWEZNQCLSA-N 595.294 6.963 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCC[C@H]1OCC2 2206394573 IBTVHWIQBHAODJ-FZQKWOKYSA-N 552.326 6.976 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2sncc2Br)c(Cl)c1Cl 2217612957 JYLNSRLXROUVKH-SSDOTTSWSA-N 515.279 7.113 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2csc(Br)c2)c(Cl)c1Cl 2217617465 GXHGBDOVIGMXLU-SECBINFHSA-N 514.291 7.718 50 10 KKGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CCCBr)C1 2234182420 SCMHZDORDUUUAJ-NSHDSACASA-N 515.027 5.081 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 2235608612 KYSFCXVFHLKCOM-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1I 2269551801 KOTRZJBSYYQAGR-AWEZNQCLSA-N 563.398 6.042 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1F 2279146361 ISYDYXPUCFBJRN-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE COc1ccc([C@@H](Br)c2cc(C)cc(Br)c2F)cc1I 2284996606 BJQVYODLVHMIIN-CQSZACIVSA-N 513.970 5.994 50 10 KKGE O=C(CNc1ccc2ccccc2c1)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2294728513 VBOXYIBKQIKQFO-UHFFFAOYSA-N 518.367 5.376 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 2295195970 DOBQIXCYBDYCOM-UHFFFAOYSA-N 644.731 5.376 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@@H]3CCO[C@@H]32)c1Br 2312064199 VYYXVJIZKBWIJP-VHKMHWKASA-N 568.723 6.208 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518518 HNIAVAJKTGOBAF-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccccc1Cl 2313521370 JKZGBYVITJZHPX-UHFFFAOYSA-N 515.778 6.986 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568294 UABGIGWKRBSJIU-UHFFFAOYSA-N 646.298 6.028 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570659 CGMWERZWKYMQHC-UHFFFAOYSA-N 583.640 7.376 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455233 MXJCIVLFZJKAQN-HXUWFJFHSA-N 576.041 7.256 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 2314476970 ZAOSSMUXDGLQMV-UHFFFAOYSA-N 567.671 5.268 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592034 KJUQDOQBFUMPAZ-RUZDIDTESA-N 552.483 6.766 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314616817 KKJSSSFLNMCLQQ-UHFFFAOYSA-N 520.633 6.253 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617970 DXHIUPFOKMBPQW-DEOSSOPVSA-N 524.646 5.423 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314618187 ISYUFTJBGZKRDN-RUZDIDTESA-N 556.666 6.988 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 2314643317 QALGBORQYKUNLA-YTTGMZPUSA-N 548.570 6.250 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1 2314737826 XDKXQASYDACKGK-UHFFFAOYSA-N 527.621 6.461 50 10 KKGE CCCCCCCCCC[P+](c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 2325739739 NRROBRQVXHVFKC-UHFFFAOYSA-N 607.561 10.178 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1Cl 2331396513 IWLLBRYQYFLTKF-UHFFFAOYSA-N 505.426 8.159 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c2ccccc2)cc1 2331404471 JMZMHUDDVQMFLJ-UHFFFAOYSA-N 505.426 8.159 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331417128 VUCPFMRNALWOKA-UHFFFAOYSA-N 517.481 8.639 50 10 KKGE CCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OCC 2331437980 MQGPBIZWMBLVNR-UHFFFAOYSA-N 506.668 7.639 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1scc(Br)c1Cl 2335357513 BYYMUKASVISQST-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338693498 MWJMABVECYCWPJ-SECBINFHSA-N 535.925 6.206 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 38654862 APVPNOSIJAQBBL-DEOSSOPVSA-N 505.914 5.068 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)cc1OC 40853610 SWHHTLRRNBKXBX-LDADJPATSA-N 500.979 5.649 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(Br)c1 40960140 GILAJGUUTISJKG-MUFRIFMGSA-N 525.443 5.827 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1cn(CC)nc1C 96438776 DRUWHEIKWUIUIR-YBEGLDIGSA-N 513.417 5.425 50 10 KKGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 100206215 LUWLWDDOZFLGHC-UHFFFAOYSA-N 558.432 5.398 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100213671 CYBLGLZDLUVNHU-DEOSSOPVSA-N 539.470 5.797 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 100233552 IGQGEIVJPIVVML-NRFCLKMUSA-N 585.451 5.128 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 100234271 IMVDWOAIUXSIJN-UHRFABFRSA-N 548.481 6.123 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 101034408 IWYUDRGODYBCGV-HZHRSRAPSA-N 585.641 7.160 50 10 KKGE O=C(NNC(=O)c1ccccc1Br)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 101099474 GPLKMVYBPMKWGL-UHFFFAOYSA-N 535.345 5.457 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244698 PXRRLQBKBXLUCM-MZOFLMDJSA-N 504.011 5.804 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101332973 GZMCTOKUNBNNFN-TURZUDJPSA-N 522.649 6.357 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101335574 KYBQFLFTNCBOMI-WPWMEQJKSA-N 524.621 5.203 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362328 OGWXBSABQOUNSA-NDEPHWFRSA-N 553.412 6.465 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccs1 101365572 HBFQIWQGRHCYCL-HNNXBMFYSA-N 576.672 7.218 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367536 UAZINILNMIPRIR-NBLPZQPVSA-N 576.649 6.428 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101367678 CANXBIQSAJHPLI-SANMLTNESA-N 539.415 6.618 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374746 ACMCMJYVXJOBBL-XIFFEERXSA-N 570.686 6.980 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 101378611 WZSUMDKFCFQFOD-WFWOKDNASA-N 570.689 7.709 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384903 ONFJDUHCROVMSW-JGCGQSQUSA-N 601.486 7.392 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101385889 PSTBMBHZZZHPNJ-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101386310 QAUQYGPUBMUBBP-PGUFJCEWSA-N 603.074 7.447 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387803 PGDZMENOSINKFZ-PGUFJCEWSA-N 604.703 7.589 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101390781 QERYMIHWGNAMNE-SANMLTNESA-N 559.416 6.730 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 101391877 WKSIRCAYEHDOKM-HXUWFJFHSA-N 572.813 7.207 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1Cl 101394339 VSCWIDURACRFEM-JOCHJYFZSA-N 564.252 7.526 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5Br)c(C)c43)coc2c1 101620407 ZWDSUJLOSRGKBS-NJZRLIGZSA-N 591.462 5.188 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 101733637 YTNQHLNIWXFNJB-DEDYPNTBSA-N 581.463 5.946 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 101766865 NGVIGZIJLRHYMA-BIZUNTBRSA-N 546.509 7.059 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1 102666176 RFZQDMCXCAWHCJ-XYZDCVNTSA-N 566.466 6.235 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(OC(C)C)c(OC)c2)cc1OC 102778945 MDKNTHNHXRZAIZ-LVRWTHNMSA-N 575.146 5.546 50 10 KKGE COc1ccc2cc(/C(C)=N\NC(=O)c3cccc(N/N=C(/C)c4ccc5cc(OC)ccc5c4)c3)ccc2c1 102978644 RKQAVWBRPUQXTM-VANQDGIVSA-N 530.628 7.000 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc(Br)c1O 103563153 ACOJVBXEZXYZOW-BIZUNTBRSA-N 572.459 6.088 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 103796758 LUOFJIBQDCSIST-JEPNHJGPSA-N 595.055 7.366 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151498 LCEABUUAHMJODP-ZBQQXIERSA-N 579.129 7.258 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 106406870 ZCZVZZJZVKJVHK-LCYFTJDESA-N 517.133 5.925 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccccc2I)cc1OC 109860300 DYGBRRNSKGCXOB-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)sc1Br 128253168 PDQOSPNTNFXIRF-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)[C@@H]2Br 150441086 DBBZTWAZVNDQJK-CCKFTAQKSA-N 689.862 7.351 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)cc1 150455173 KNQBPFZLOTYQTP-ODFXPWLCSA-N 660.752 5.096 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485381 VDRQCSAVHSAGGD-JGCGQSQUSA-N 631.512 7.806 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485757 QVVALOWLIXGEJB-UUWRZZSWSA-N 659.566 8.081 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 164640663 YWKQHSSIBVYBMJ-IPBVOBEMSA-N 685.992 7.826 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1 164642171 ZBRZRDWPOUWDSE-JRZNSJKLSA-N 644.569 8.720 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC=C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724490 FTRFFKXXDNVYPZ-XUTHUYCTSA-N 878.936 6.067 50 10 KKGE CCO/C(O)=C(\C#N)[C@H](c1ccccc1F)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 198090866 JXNBDZWWPRADRK-PHJYZHLYSA-O 511.371 5.169 50 10 KKGE CC1(C)CC(/C=C/C(Cl)(Cl)Cl)=C[C@H]2C(C#N)=C(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)S[C@H]21 206267707 GGOQGNUMZDKODN-RJWAEYEFSA-N 580.968 8.066 50 10 KKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1cc(Br)ccc1I 232478026 RZRKBMDRLNOTSI-GFCCVEGCSA-N 510.951 5.641 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 234796187 FBZDGXDFRQPLKX-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Fc1cccc(COc2c(Br)cc(CBr)cc2Br)c1Br 236197452 NEGHLGZGQYRLOH-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 253564099 GDNPDEBBJGUSIX-DZTJYMNTSA-N 602.783 7.669 50 10 KKGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253576147 VLZIFZSYWKMPEF-UHFFFAOYSA-N 564.719 5.087 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 254707418 ZNEMHQYNEMPROK-ZHRZBRAHSA-N 562.795 9.026 50 10 KKGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(Br)cc1 254837081 PMNYYGKADZUZKP-UHFFFAOYSA-N 568.889 5.299 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1 254838409 MAFLYVYHKHHGKG-UHFFFAOYSA-N 505.647 6.337 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1cccc(Br)c1 256028322 FMNSKAHSEWMNPN-UHFFFAOYSA-N 648.402 6.560 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390633305 JCKPLRNTKUOQTD-HXUWFJFHSA-N 543.880 7.033 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590369 QXQZQDMMTWVWDX-ZWEDQWJISA-N 654.920 8.706 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cccc(F)c1I 721697565 KBSQUOYUROAXDD-CQSZACIVSA-N 513.970 5.994 50 10 KKGE COc1cccc2c1CCC[C@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238773 XCVSJIRLESITSK-HYBUGGRVSA-N 537.003 6.282 50 10 KKGE O=C(NC[C@@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725239184 ZSXXSDMUMKOBKA-NBGIEHNGSA-N 594.055 5.855 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 725388332 KXRPNYCTPLWJDN-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)C34CC5CC(CC(C5)C3)C4)=C2N2CCOCC2)cc1 886009728 YPKSXDINKYNPFS-PPKWOAMISA-N 516.730 5.615 50 10 KKGE CCCCOCCOP(=O)(OCCOCCCC)OCCOCC[C@@H](C)O[Si](C)(C)C(C)(C)C 888085578 TTZFZWQVTYJOCA-HSZRJFAPSA-N 528.740 6.595 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(COS(C)(=O)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105682 XAVDUUAIXFQIPV-IELIAZEESA-N 574.780 5.297 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083960962 YBEGMMGWNVHDGL-UHFFFAOYSA-N 608.116 5.590 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084079354 VXBPUENHMATWGW-UDWIEESQSA-N 576.307 8.552 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084399145 VLIVELNQMGYMGK-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084410233 ADYHGSVGYFTCFD-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084573200 ZKLOYYVNQVOZJT-UHFFFAOYSA-N 600.488 6.360 50 10 KKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084594926 POTNEYPSDNMNRK-QFIPXVFZSA-N 673.113 5.961 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084628950 APVPVNWBHNCYCX-NTUHNPAUSA-N 608.188 6.919 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718536 FFABXJJLIRRKCS-LZRFMCMSSA-N 531.248 5.869 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720672 VQPPKDCRDXVZSS-UHFFFAOYSA-N 605.647 6.309 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745586 BRCPBTYNEUCPHR-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccccc1 1865687141 KIDJCRXXYCWFKF-MHZLTWQESA-N 506.606 6.012 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Br)c1O 1865688017 GPPKFTZOBJXMNY-QFIPXVFZSA-N 529.394 5.624 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865689045 IQAIJOFIRXVEAS-LJAQVGFWSA-N 524.596 5.883 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865692770 PFHTWQNIPVKVLE-HSZRJFAPSA-N 557.876 6.061 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865696068 BSUKLRSCUBARMB-NRFANRHFSA-N 550.940 6.148 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc(Br)ccc1O 1865697232 XZAXZPQAZUJUDS-JOCHJYFZSA-N 551.803 6.077 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703235 QXZLSHBTHJNJQY-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703904 IJJOJJGASGZARM-HKBQPEDESA-N 526.640 6.834 50 10 KKGE CSCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997542 SVGOAGHWUOGPOO-NHCUHLMSSA-N 510.512 6.183 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2csc(-c3ccccc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867053558 NQPINXTYEQJSEC-MHZLTWQESA-N 570.696 5.607 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H]1c1ccc(F)cc1 1868415012 SYQZABMEAQBFQZ-VWLOTQADSA-N 531.060 6.746 50 10 KKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868456256 MFWLLTOYGBMEEJ-IBGZPJMESA-N 516.671 6.544 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 1872756227 FVLIQXFOEPFBMQ-ZLNGRFOQSA-N 510.015 5.883 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccccc1C 1872792231 MIGBLTVJZRARCZ-YZSQISJMSA-N 508.687 8.458 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c(Cl)c1 1873795291 FODKDUPHWWVFJH-MWAVMZGNSA-N 510.119 7.005 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cscc1Br 1899862600 MYUQRRPDVLZMAR-SFHVURJKSA-N 517.080 7.336 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 1922881505 IMHMAAZNNZMLMR-NSHDSACASA-N 552.351 7.790 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1I 1924037854 CJSXBZNTUFHZQI-RMLUDKJBSA-N 559.865 6.451 50 10 KKGE Fc1cc(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924607080 PKQBCPBFBBQBPD-QMMMGPOBSA-N 515.826 7.295 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Cl)CC1 1995048651 SHOOYTFQRQAFTC-VIFPVBQESA-N 516.680 6.788 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2016553511 UUVHYWLHXNBSBS-YPOPKZJDSA-N 505.895 6.374 50 10 KKGE COc1ccc(N2C(=O)C(=CNNC(=O)c3ccc(NC=C4C(=O)N(c5ccc(OC)c(OC)c5)C(=O)c5ccccc54)cc3)c3ccccc3C2=O)cc1OC 2042444830 CIXAYWXELMWFLY-UHFFFAOYSA-N 765.779 5.824 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1C 2053623194 KVFIEKZTLHXYNQ-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc(Br)cc1Br 2083331773 CMHLDGXUIHBQCC-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c1 2083336156 XPHYRPYOWNQLSS-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 2095700534 YAXAQZYGAWYLON-CYBMUJFWSA-N 514.020 5.843 50 10 KKGE FC(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 2116025578 NSPZSIZVLZBHCU-QMMMGPOBSA-N 539.859 7.458 50 10 KKGE C[C@@H](Br)C[C@H]1CCCCCN1c1ncc(I)cc1Br 2133373446 RNIZLSGQTZKALK-ZYHUDNBSSA-N 502.032 5.371 50 10 KKGE CC[C@H](CC(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468436 JVUYAUAWYXRIKY-CLAHSXSESA-N 540.359 8.089 50 10 KKGE CC12COC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141472290 BVQCQEAWKCNUNO-HIFPTAJRSA-N 538.299 6.586 50 10 KKGE CN([C@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2179790683 HTHMAQIMKAAGKN-DOTOQJQBSA-N 537.339 5.410 50 10 KKGE FC(F)(F)C(F)(F)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395454 OGSFNYZZJVILMG-RXMQYKEDSA-N 574.201 7.604 50 10 KKGE FC1(F)CCC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206396275 VAENAXQXZNVFDU-GFCCVEGCSA-N 560.296 7.842 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2sc(Br)c(C)c2Br)c1 2224053497 HYLVNPUQYUUGFL-LLVKDONJSA-N 520.455 6.823 50 10 KKGE CCn1cc([C@H](Br)c2cc(Br)c(Br)cc2F)nc1Br 2225615357 GRBCLHBSVFNOMM-LLVKDONJSA-N 519.832 5.814 50 10 KKGE COc1sc([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2256337905 XRKPCJAHESBHQC-LLVKDONJSA-N 522.427 6.262 50 10 KKGE COc1ccc([C@@H](Br)c2cc(C)ccc2I)cc1I 2269554875 UPXIUYWFRUZCDC-OAHLLOKOSA-N 542.980 5.697 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1csc(Br)c1Br 2285079814 MZFASOKGQBOJNT-ZDUSSCGKSA-N 503.481 6.989 50 10 KKGE COc1ccc(Br)c2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2286081896 YLYAYCPLHLYECZ-UHFFFAOYSA-N 540.889 6.018 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)sc2Br)cc1Br 2295430181 JCHOIAYSNZFVOJ-GFCCVEGCSA-N 549.904 6.537 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccccc3)C2=O)cc1 2296506893 KBTQMVAYQUBJLW-MUUNZHRXSA-N 509.675 5.814 50 10 KKGE O=C(NN=Cc1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647845 LZJATJHPUCKPNE-UHFFFAOYSA-N 657.433 5.226 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccccc1I 2299530333 KYSJFUUFNLEEQE-FQEVSTJZSA-N 558.051 7.117 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 2313518082 FYYFDJVMQKMTIG-UHFFFAOYSA-N 519.439 6.898 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 2313518879 XUYVLRHBJUIZSG-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313568579 UWQNJKYPFPTQAI-UHFFFAOYSA-N 535.394 5.979 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314456983 OKUIAAHHMYYYHV-UHFFFAOYSA-N 502.220 8.204 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592644 ZIZRIVNPBMCWQJ-HHHXNRCGSA-N 511.647 6.192 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314610827 MSROBLFQGCAHMT-UHFFFAOYSA-N 570.693 7.291 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314620774 UWCHXVPWNVBHRE-UHFFFAOYSA-N 590.611 5.413 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314640727 RTDXRDXONALEQK-LJAQVGFWSA-N 549.454 7.399 50 10 KKGE CCCOc1ccccc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OCC 2314770970 JSKIWFRHSLTIRQ-UHFFFAOYSA-N 500.551 5.309 50 10 KKGE BrCC(CBr)(Cc1sccc1I)C1CCOCC1 2316755180 QKTMHCJCTAYZNI-UHFFFAOYSA-N 508.057 5.098 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)c1C 2317776015 ZGRUFGBCSJFQOR-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)c1Br 2362219851 ANGQEJAHFQQKIN-NSHDSACASA-N 615.154 8.013 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)c1 2356772 MGMBGBIFXWSVSY-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2807556 ZASDJWOSKQINDX-STZFKDTASA-N 506.911 7.637 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1 33657349 JTJWCCRGXXZMTF-CTHAODRQSA-N 508.430 6.367 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccco3)c2)cc1 35446162 DIRDPEWVCZARNM-YZSQISJMSA-N 514.585 6.243 50 10 KKGE CCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 38608533 CMDOUJBTOMIFDL-LPYMAVHISA-N 502.567 5.175 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccccc1Cl 38650977 NNTYHKWTMOUFBC-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38685171 NIVRYTXFRCCBPY-MYUZEXMDSA-N 502.542 5.596 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38686147 SESZEWPYPVFMGD-SSEXGKCCSA-N 526.633 6.728 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38688313 KYBKLXASMPNQHS-QHCPKHFHSA-N 505.313 5.537 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 40530063 AZQHDTZEHCPHCN-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cc2cc(Br)ccc2o1 100056395 AURKUWUGCSICOP-LGJNPRDNSA-N 528.200 6.301 50 10 KKGE CCCCCCCCC(=O)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1 100166006 BMYZWYLAQCIXED-WPWMEQJKSA-N 526.435 6.411 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100232112 QAPOZKWGJFVBTO-XZJBEKIMSA-N 555.425 5.089 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCCCn1ccnc1 100883830 GBGIXIUIDSZGOQ-LGUFXXKBSA-N 546.606 5.567 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240891 CLVHCPQFPAFKNL-IDJUBOEBSA-N 570.036 6.664 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C(C)C)cc3)C2=O)cc1 101246524 CUCCGBYEHOHOGW-XCMTZBJCSA-N 553.728 7.226 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101307149 QBPVTCVHUMGRBU-MUUNZHRXSA-N 547.007 5.733 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101333213 RUWITOGPZXUICV-HZHRSRAPSA-N 559.464 6.093 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCCC)c2)C1=O 101333354 YLDDPMVEAASQBJ-ZXVVBBHZSA-N 508.622 6.111 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101336515 HCWKBCJGFVUPJI-KCSSXMTESA-N 595.634 6.445 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101338124 JHDXKXKMZCOGOD-STKMKYKTSA-N 625.128 7.607 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101367890 SWQOEYFAVNQCCW-MUUNZHRXSA-N 534.996 5.730 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5cccc6ccccc56)ccc43)cc2)cc1 101378762 GRCUOIDAZCFWQL-DHUJRADRSA-N 552.630 7.094 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386714 CCTWJQDSQVYZMR-JGCGQSQUSA-N 582.584 5.624 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387616 HBNQHMPDVHSZHA-JGCGQSQUSA-N 546.623 6.719 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101389004 VKZHZVLVHFWLHV-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 101389182 QPJAFRZXCLWIPW-JGCGQSQUSA-N 550.586 6.170 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101394859 UWHWSTSUONCWSA-HKBQPEDESA-N 580.681 7.763 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(Cl)ccc5Cl)c(C)c43)coc2c1C 101619743 SDBLZLVVFXUZNJ-RUMWWMSVSA-N 538.431 6.909 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 103742247 SEJLFMRMTZWUQP-SCIJIFGBSA-N 528.848 6.712 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(F)cc1Br 128874087 LRQVFINNEPSMHH-JTQLQIEISA-N 525.832 6.798 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 150408319 UZLKGSOTXYMNRE-UHFFFAOYSA-N 680.257 5.956 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 150428782 FJPQPMZDSWFOOA-XIFFEERXSA-N 641.518 6.938 50 10 KKGE ClC(c1cc(Br)ccc1Br)c1cc(Br)ccc1Br 161062540 JJVQPBBREQXAAS-UHFFFAOYSA-N 518.268 7.065 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl 164644685 WEGNNKWGVFHABH-PNQUVVCRSA-N 641.143 8.006 50 10 KKGE C[Si](C)(C)O[C@H](c1ccccc1)[C@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195804177 OMZBKJRJXBECQK-XDSPJLLDSA-N 566.781 8.576 50 10 KKGE Cc1ccc(C([C@@H](O[Si](C)(C)C)c2ccccc2)(n2nnc3ccccc32)n2nnc3ccccc32)cc1 195816187 WHRYQLTWTKZGSF-LJAQVGFWSA-N 518.697 6.327 50 10 KKGE C/C(=C/C[C@H](O)/C(C)=C/c1csc(C)n1)CC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)CC(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 198129499 UAGRVQUVKGHDQE-XXLGVNKGSA-N 738.237 10.845 50 10 KKGE in-vitro COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 205779807 XHSLINKMZHEOJX-FZEGLUMNSA-N 676.795 5.889 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214422377 YVIHSGTZOZPELH-ONUIUJJFSA-N 540.645 5.197 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 227835352 UXWKMELBSOBGKB-SECBINFHSA-N 509.908 6.890 50 10 KKGE C/C(=C/C[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)C(C)(C)[C@@H](CCO)O[Si](C)(C)C(C)(C)C 248191566 LOAKRBOMRITVRR-BUCIWLIVSA-N 838.518 13.783 50 10 KKGE CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2/sc(C(=O)OCC)nn2-c2ccc([N+](=O)[O-])cc2)s1 253570726 OAGKMTLRDCWNDY-FFROBNHHSA-N 802.898 7.615 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254292349 JSSOQGASRKFYTF-UHFFFAOYSA-N 516.692 5.692 50 10 KKGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)COc2cc(C)ccc2C(C)C)c1 254518397 CTLVNHMUWUDFMJ-UHFFFAOYSA-N 525.443 5.998 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1 254790426 DDVYXJANZGIVPG-JSSDLBCKSA-N 534.660 6.006 50 10 KKGE O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 254874852 NTGFKZAHPCMHRK-UHFFFAOYSA-N 581.451 6.063 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 254875086 WGGVSWSVOVYDKK-UHFFFAOYSA-N 548.596 6.538 50 10 KKGE Brc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1I 721589389 SXVLILYEPWTDSH-CQSZACIVSA-N 619.860 6.078 50 10 KKGE CC1=CC(=O)O[C@H]2C[C@H]3O[C@H]4C[C@@H](C)[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)CC=C[C@H]9O[C@H]%10C[C@H]%11O[C@H](CC(=O)CCl)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@@H]4C[C@]3(C)O[C@@H]12 936069607 LLWZTLRNRYPFBO-RDMCWSBKSA-N 917.530 5.525 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817432 AQLURWHBCUUICR-UNJZGHDFSA-N 710.852 7.267 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 1083896364 WVLUPEKWUJWFIL-UHFFFAOYSA-N 592.515 5.369 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1083986746 CHXYDSAHENNNKA-RUZDIDTESA-N 624.359 7.096 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccccn2)cc1)S(=O)(=O)c1ccccc1 1084093648 UJAJQBGTIQWKQK-UHFFFAOYSA-N 519.026 5.203 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1C 1084152212 XMDVESPSLUGQGA-JAIQZWGSSA-N 634.255 6.637 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 1084196947 CVZKWEQHNUAPIV-DEOSSOPVSA-N 545.861 6.044 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084201112 IMXHPLMFPHWULQ-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1084235374 NBEHBVVWPMJQJF-UHFFFAOYSA-N 632.521 7.134 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Cl)c1Cl 1084288423 LBAZBXJOKLSYPN-UHFFFAOYSA-N 538.504 6.382 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 1084335920 GSLLHBMYUKKBQO-MGBGTMOVSA-N 588.664 7.082 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccccc1 1084391357 IHJZEGJHEZBQDP-UHFFFAOYSA-N 533.422 6.665 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084394290 YXHVCNWEGQRQCY-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1084451710 VJHLESOWAFJPLY-UHFFFAOYSA-N 661.611 7.569 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084534744 ALVMTPXXNMYEOQ-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745928 LBXZXTNDMGETDH-UHFFFAOYSA-N 547.780 5.569 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746678 CZGOQKHAIAVLOR-UHFFFAOYSA-N 577.391 5.425 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748179 OGBGVPGPURRAHU-UHFFFAOYSA-N 506.389 6.771 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772748269 VRFXLBCFEGOCRX-UHFFFAOYSA-N 535.460 6.172 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(Br)c1 1865684020 LHXLIIFEZUNYQQ-RUZDIDTESA-N 519.402 6.673 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687123 JUEOFMOQIALLIY-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690178 KTCFIZZNBNAIGD-AREMUKBSSA-N 531.443 6.598 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865690713 ZGSMLSSQVGQAGG-OAQYLSRUSA-N 500.496 5.876 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865695821 UMXHLTGAAJSLMI-MHZLTWQESA-N 522.605 5.693 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696939 LOHYAPIUQJJWMF-VWLOTQADSA-N 541.479 6.596 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701193 ORYBKXKMHCCEPD-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703811 GGEDKEFQYVPISR-SSEXGKCCSA-N 530.603 6.583 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704183 POLBNXAARIDMFE-MHZLTWQESA-N 552.556 7.150 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865705926 JMHXHPSFNTUJSC-GDLZYMKVSA-N 571.637 6.057 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707270 SFWXVQQJMBCBTP-IBGZPJMESA-N 505.789 5.717 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711377 WPMMSYHWOIYYNU-QHCPKHFHSA-N 536.941 6.497 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865712961 MXNGRZHYKWIYDW-XMMPIXPASA-N 500.961 5.926 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872751584 OCEWJINHCAAUED-RGEXLXHISA-N 511.775 7.156 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(OC)c1OC 1872759492 QHTZOCBXBXWBTK-CFBNHCQBSA-N 510.568 5.368 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)c(OC)cc1Cl 1872793700 OVQQABYXVULZIM-CIAFOILYSA-N 503.023 7.432 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872793949 BSOBNHADCSUQJN-UDWIEESQSA-N 507.442 8.077 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1OCCC 1872817869 AXIYKYMZOWIALX-UZYVYHOESA-N 519.450 7.566 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)cc2)cc1 1873496295 LFXMLDJRRYKWNA-FMFFXOCNSA-N 507.590 5.033 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1cccc(Cl)c1 1873499183 IRTUCSTVGLMMEU-ZTAUZCEESA-N 502.011 5.025 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1I 1924595830 FMONONKFJDHMCN-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE FC1(F)CCC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924614768 QXILXHKSKKPQRB-WDSKDSINSA-N 531.880 7.297 50 10 KKGE Cc1nc(I)c(I)n1-c1c(CCl)ccc(Br)c1Cl 2036848385 LGKHRFBLNTWMFG-UHFFFAOYSA-N 571.809 5.545 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(I)sn2)c1Br 2081069657 CHWLNGQUAMLQFI-GFCCVEGCSA-N 565.894 6.374 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(I)sn2)cc1Br 2082376143 FEKJLOPGLABCOZ-LLVKDONJSA-N 523.415 5.657 50 10 KKGE Cl[C@H](c1coc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2085492897 TVONDEUIZRUBMS-LLVKDONJSA-N 587.125 7.420 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3csc(I)c3)cc(Br)c2O1 2090467901 RUVSVLHTGDLILS-WPPNPWJKSA-N 514.020 5.923 50 10 KKGE Cc1cc2sc([C@@H](Br)c3c(Br)sc(Br)c3Cl)cc2s1 2100321937 DZQOOZADZRCQSZ-SECBINFHSA-N 521.546 7.995 50 10 KKGE CCC[C@@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121064400 OZFCSWSGIQGURO-MRVPVSSYSA-N 563.857 5.633 50 10 KKGE CC(C)([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2141478337 XFEWYXMTOZRVPM-SNVBAGLBSA-N 562.343 5.840 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCCCCC[C@H]21 2166116782 CDJKPCHJMLPBQD-PRFIWBCESA-N 505.541 7.922 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@H]21 2206397497 JUKHMESUGPRDKU-PZTZUFLPSA-N 558.280 7.308 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@]12CCCOC2 2206397556 KNEFOGMGMIXEHE-IYCUSSIYSA-N 552.326 6.833 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCCC1 2206397805 MXTLIEGKHBFETN-CQSZACIVSA-N 596.821 8.533 50 10 KKGE Cc1cc(Cl)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404552 ASTLQXWVJQVPRL-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Brc1ccc([C@@H](Br)c2csc3c(Br)cccc23)c(I)c1 2207275244 JWCUZADCALLDBW-CQSZACIVSA-N 586.912 7.515 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2sc(Br)cc2Br)c1 2217420919 MFLJGQWFUWPMAL-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2235614323 HHWAXODFKRGCFI-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(Br)cc2I)c(Br)c1C 2253468791 PYIYIVSZRGUOLE-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2283584074 PBGQJOZSUMIEKW-NSHDSACASA-N 545.256 7.996 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCC(=O)c1ccccc1 2296790212 WWAYLEGJTNQKOC-UHFFFAOYSA-N 531.431 6.907 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2297458620 MADWGEWHSLLJNX-DEOSSOPVSA-N 506.002 5.264 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 2313543511 FQYPBGDPQAEZGB-DENIHFKCSA-N 524.831 6.054 50 10 KKGE C=CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397422 MHIRQHWURQEYLP-UHFFFAOYSA-N 541.800 5.124 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 2314475697 APSZEXGOOWGWEY-UHFFFAOYSA-N 579.103 5.316 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592175 NHLQJKVGBRFHNX-LJAQVGFWSA-N 523.702 7.019 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314618123 HORCCAADHZHWIV-UHFFFAOYSA-N 579.056 6.010 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634340 FROMJZHHMABOIP-NDEPHWFRSA-N 514.965 5.750 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634664 VQZZOAURJMHWSJ-XIFFEERXSA-N 566.698 7.399 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 2314643370 VPWHHHRNONBOMB-MGBGTMOVSA-N 597.042 7.294 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646772 NEXXZWKKAHIAGR-NDEPHWFRSA-N 648.741 5.253 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646829 QAZCLLCKCUQPKA-MHZLTWQESA-N 618.715 5.163 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cnsc1Br 2315644759 SXGZJZAAWHJPHH-ZETCQYMHSA-N 526.820 6.193 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C)c1-c1ccc(Br)cc1 2329699332 DORNRPAFEDJHKC-UHFFFAOYSA-N 574.294 6.971 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 2331376588 VZOGOJIBYBJFKT-QUCCMNQESA-N 503.624 6.010 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c2ccccc2)cc1 2331391776 DGNGVQGJUXNXFR-UHFFFAOYSA-N 515.034 7.823 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 2331397512 KIGTWDCBRIQROK-YOEHRIQHSA-N 514.434 6.528 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1I 2363892821 YBWNBYVZFCKNLB-SNVBAGLBSA-N 560.398 7.272 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)c1 2363959338 RBUCVNDXFJQWQK-SNVBAGLBSA-N 515.947 7.163 50 10 KKGE Clc1ccc(CO[C@@H](CI)c2cccc(Br)c2)c(I)c1 2365644936 JLBXHBPBIOXFME-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2366796623 PHAFCBFVORDBHZ-NRFANRHFSA-N 529.099 8.404 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 2369433910 SBCDITYONWZEJL-KRWDZBQOSA-N 509.160 5.568 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14640819 NMDIEMDANOWFBG-UHFFFAOYSA-N 525.443 6.062 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1 14648230 PXHOMRKLOJZFNL-UHFFFAOYSA-N 511.844 5.518 50 10 KKGE N#C/C(=C/c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 39858670 CNIFTYJGZYAKIZ-OWBHPGMISA-N 511.752 5.993 50 10 KKGE CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 40911591 JGZQFCCVPXCHEL-CCVNUDIWSA-N 503.382 5.509 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 58895579 MAMXJGHNPCEBQG-PVYGGJOHSA-N 525.443 5.699 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1OC 97914973 YUAPDXIEIRGFRR-FREGXXQWSA-N 541.132 6.509 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100163933 DJMKRZVBGAEWHH-UHFFFAOYSA-N 609.340 5.258 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1 100234079 UQBQGXZLJVFUTH-LLQGPRFRSA-N 601.616 6.065 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C1 101014120 AXZCVCWVIQATOB-COCMXYBASA-N 571.747 5.562 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101307521 RXTHBUBHFUDFSD-HHHXNRCGSA-N 526.520 5.891 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101335351 WMIHHLFXRNUGRV-QNKGDIEWSA-N 594.671 6.510 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101335611 UXHFYSXKCPPHBH-NDZAJKAJSA-N 576.628 5.886 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101337775 KCZRDQUBWKLNKP-RJFHQFLYSA-N 554.650 6.525 50 10 KKGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101338314 OSVGOEVARJAOOF-LFVJCYFKSA-N 512.993 5.763 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101340928 TUQCJHKIHUQNLI-YDZHTSKRSA-N 516.956 5.859 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341299 UIEUDCJURQJKNZ-PCLIKHOPSA-N 556.594 5.013 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1Br 101370222 IJUYZJKIVUQJKJ-OAQYLSRUSA-N 516.178 6.193 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1c(Cl)cccc1Cl 101370851 ZYLIXUCHKZYBPA-FQEVSTJZSA-N 516.178 6.193 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101373798 LZMOZZAEISXSGW-SANMLTNESA-N 549.967 5.873 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101378994 NZRYUVSFAWZAKV-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380141 WOORTXUKYAVJQH-HKBQPEDESA-N 548.614 7.140 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 101399434 IHAIRTOFCHFZJJ-LJAQVGFWSA-N 621.448 7.166 50 10 KKGE CCCCN1C(=O)N[C@H](c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)C(C(=O)OCC)=C1c1ccccc1 103026051 LIGGWKZLVZBSCR-RRPNLBNLSA-N 546.067 6.446 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 103887914 KPUNJMPYTLMJQJ-ZDLGFXPLSA-N 546.248 7.198 50 10 KKGE CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)cc(OCC)c1OCC 104956692 GKKJKSSKDCHOAV-FDAWAROLSA-N 549.624 5.193 50 10 KKGE COc1ccc2ccccc2c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 104990596 AEQAZLBKOBLIIL-MWRNPHMMSA-N 522.668 7.358 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 110553515 VGJWOTDKTXSVPS-AJBULDERSA-N 531.637 6.765 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150483119 VLTMQUZRFGKOSP-HHHXNRCGSA-N 633.940 8.878 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 150483363 TUJSKCIQUCEJQE-HHHXNRCGSA-N 651.930 9.017 50 10 KKGE CC(C)(c1ccc(OCCCCCCC(=O)NN)cc1)c1ccc(OCc2cc(OCCCCCCS)cc(OCCCCCCS)c2)cc1 161729227 ZJGIEYLKMWQVGF-UHFFFAOYSA-N 725.074 9.649 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 196198865 VWNXEDLLHIFAOL-CGMBNUQUSA-N 964.186 10.471 50 10 KKGE C=C1[C@H](O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 203584104 IWBOGWSNSAKETH-KQIHHXPCSA-N 624.897 7.877 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206396019 JBGPGEJEXIXWIH-SBNZYVMKSA-N 568.670 6.505 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)C1 213224941 JETCQFGXKIKFGE-PCCDRTMGSA-N 548.672 5.900 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 214357784 CZXJPZZJVFNPID-OFWBYEQRSA-N 548.687 7.033 50 10 KKGE CC[C@@]1(C)[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 227236942 UZDZMDLWOSZPDM-NTZNESFSSA-N 646.870 5.831 50 10 KKGE Brc1cccc(C[C@H](Br)c2cc(Br)ccc2I)c1 232474318 VRZDOVVKJDVBLA-ZDUSSCGKSA-N 544.850 6.495 50 10 KKGE CC[C@H](C)c1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 234023767 DPIWPTZGHGBSHC-GTNSWQLSSA-N 508.035 7.052 50 10 KKGE O=C(CN1c2ccccc2Sc2ccccc21)NN=C1SCC(=O)N1c1ccc(Cl)cc1Cl 252621842 NHWWEXWGLFFSON-UHFFFAOYSA-N 515.447 5.763 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 252629994 URXUKDDXABJLJS-XKVXPRHESA-N 547.442 6.241 50 10 KKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1 254594533 GTKSJEHTBURHEL-UHFFFAOYSA-N 518.573 6.300 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCc1ccccc1 254751658 DHSHYTIIKGLQGG-UHFFFAOYSA-N 538.629 5.171 50 10 KKGE C=C(C)[C@@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]34C)[C@@H]12 504238354 PKAPKLCGHVIAEA-DTZRFPPBSA-N 598.869 6.889 50 10 KKGE Brc1cccc(C[C@@H](Br)c2scc(Br)c2Br)c1 705500880 HSROMBSOJNGARR-SECBINFHSA-N 503.879 6.714 50 10 KKGE O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237267 CGYYFMZSBLLWEU-RUZDIDTESA-N 562.972 7.650 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC=O)[C@H]12 725238032 BRZCKJCXWDGCIO-AOSMJTCDSA-N 659.040 8.805 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 725379717 OTVGPQDBGFZHQW-DEOSSOPVSA-N 608.302 6.292 50 10 KKGE CC(=NNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725435411 AEQCIGXDAGCDFD-CRBXJKDESA-N 644.719 7.268 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 936069139 UHCDRCBBCZLXBO-MCEGOBJOSA-N 641.186 12.671 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)CC(=O)NN=C1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 1083952272 LHMLAZXXRXFKSK-SUECNEPISA-N 636.837 6.845 50 10 KKGE Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)ccc1I 1084212926 FNWJJRAKOYWMTP-QJOMJCCJSA-N 550.444 5.263 50 10 KKGE COc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084316381 UXLGTAINBOJMHT-UHFFFAOYSA-N 513.619 5.163 50 10 KKGE C=CCN1C(=O)C(=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 1084320322 KQDFOHUTXXXAOA-UHFFFAOYSA-N 523.656 6.099 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084414323 HYXUJPRQBBBAOU-UHFFFAOYSA-N 642.959 6.036 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1 1084605730 PEYHEYLTDXDWAP-UHFFFAOYSA-N 517.423 6.273 50 10 KKGE CC(C)(C)c1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752525 YAFFYTLOXMZCCB-UHFFFAOYSA-N 554.872 5.846 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 1772755023 HFPCWQHUMPGIIM-UHFFFAOYSA-N 616.990 7.446 50 10 KKGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755142 PKYTUVZGYTWICW-UHFFFAOYSA-N 568.946 6.656 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc2ccccc12 1865682799 XUJOQZIGAVKMJV-SANMLTNESA-N 506.968 6.762 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865689375 QVDRRNUDIFZZSH-HXUWFJFHSA-N 518.923 5.619 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697992 HMNDQFURTKBZIC-JOCHJYFZSA-N 557.876 6.255 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700965 IMBRNLMGIXOBJD-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701538 XQAHYCIJTSMFGI-GOSISDBHSA-N 530.220 5.192 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cc(Br)ccc1F 1865702151 NZZWUEIWNAOBMA-MRXNPFEDSA-N 511.248 5.209 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1C 1865703033 LGJIZKLIRQFBLU-NDEPHWFRSA-N 571.475 6.448 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865703302 STGJLLAFWMHWJI-MUUNZHRXSA-N 506.606 5.939 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865703334 UECDQXQKKPNAAK-RUZDIDTESA-N 527.452 6.350 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865705050 KXIFMNLNENYOLJ-GOSISDBHSA-N 519.321 5.659 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705158 NQVJZPXQTGFWAH-PMERELPUSA-N 556.622 6.424 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3c(I)c(I)c(I)c(I)c3C2=O)cc1 1865903414 GYSLTQWFICQSGK-HNNXBMFYSA-N 931.069 6.524 50 10 KKGE C[C@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866713393 DGYTWVRZUFEMIR-CLOONOSVSA-N 524.111 6.464 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868413553 AFRRYEMHLDJNKA-UHFFFAOYSA-N 566.090 6.557 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745384 KRJQSLHSQOPGKQ-KGZDDHDCSA-N 503.580 5.331 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CNS(=O)(=O)c3ccc(C)cc3)n2)cc1Cl 1872755934 MJKPXOLTWDMKML-CYVLTUHYSA-N 510.424 5.205 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 1872756011 AHUVDAWPLIBBAQ-BWAHOGKJSA-N 515.031 7.008 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)ccc1OCc1ccccc1C 1872794844 ZIQUISHOCJVKFI-YDZHTSKRSA-N 517.050 7.822 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ncc(I)cc1Br 1888099013 NCXCNUFFXFOFQZ-LBPRGKRZSA-N 524.038 5.629 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OCc2c(Br)cccc2Br)[C@H](Br)C1 1901795911 VYHVYCHPHKACQX-KGLIPLIRSA-N 514.052 5.111 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 1923049619 MPFLDZZZYFHDCC-RXMQYKEDSA-N 609.222 7.997 50 10 KKGE CCCC[C@H](CC)[C@H](Br)c1c(Br)sc(Br)c1Br 1924583293 IHIPLASOKBQUME-CBAPKCEASA-N 511.943 7.688 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924589654 DUSMVUYMNZEGJZ-SECBINFHSA-N 538.324 7.482 50 10 KKGE COc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924596528 PUTDXZTVMXZXFT-VIFPVBQESA-N 533.905 6.723 50 10 KKGE Clc1ccsc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496853 UMGOOZAXRXSBPL-JTQLQIEISA-N 558.742 7.780 50 10 KKGE Cn1ncc(Br)c1COc1c(Br)cc(Br)cc1CBr 2087325401 NKJDOGOJSZWJHN-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@@H]2CCCC[C@@H]12 2141477078 LAMOTYPDGVWGJM-KBEMCWPLSA-N 536.327 7.453 50 10 KKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(Cc1ccccc1)Cc1cccs1 2179834392 IJRNTMDFVGDULT-UHFFFAOYSA-N 505.286 6.341 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC3(CCCO3)C2)c1Br 2206402984 WGLFDIQKCPLYRW-XXCWSLKQSA-N 596.777 7.132 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Cl 2224320008 HNYDVDIBBHGRHN-LLVKDONJSA-N 507.900 7.681 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2226087768 GKKAMYILNPRVDE-SNVBAGLBSA-N 528.318 8.026 50 10 KKGE Cc1c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)nn1C 2232510702 NOAUDHPZWQWQII-VIFPVBQESA-N 526.281 6.698 50 10 KKGE Clc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1I 2256334985 DUJIFVMBGKLXDA-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)cc1Br 2267747962 CMFUSNHYAHEZLB-VIFPVBQESA-N 576.732 7.919 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278022459 OUTCWRKFHSGEJU-GFCCVEGCSA-N 501.490 7.626 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2293727256 IRQIWWLYJHIFNJ-UHFFFAOYSA-N 552.487 6.460 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2 2295669945 PHOFCPRROBQMRP-UHFFFAOYSA-N 559.338 6.364 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299494958 PEQXOQQXEHUYGG-GOSISDBHSA-N 531.107 7.645 50 10 KKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 2313518500 GQWGDUOUBQIURP-UHFFFAOYSA-N 510.759 5.678 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F 2313568779 YOBWKSJVAZMGGC-UHFFFAOYSA-N 505.977 5.322 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568865 ZTMCNGWRHCECCZ-UHFFFAOYSA-N 581.854 5.845 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314414896 QBOSXLNOCNGYRK-UHFFFAOYSA-N 558.613 7.202 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591850 GEEDCSNRYXPQSC-GDLZYMKVSA-N 523.702 7.307 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OC)cc1 2314593320 LFCWSMNLCZTJHM-HXUWFJFHSA-N 521.948 5.096 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593369 LYWXLHRKKPHYAK-SIBVEZHUSA-N 584.063 7.279 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620378 ORCAKOHQZTVPQW-UHFFFAOYSA-N 543.019 5.771 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314620419 PQZJIVGPCRKKHM-UHFFFAOYSA-N 588.683 7.430 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 2314643398 WDOKGWRQQUUWEI-PGUFJCEWSA-N 604.678 7.548 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646978 XJZAWZMVSMBVPC-AREMUKBSSA-N 639.133 5.508 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328796611 KEOAGVXONWOJNN-QFIPXVFZSA-N 508.446 5.962 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360377 YVNMNBKDGPOJPT-INIZCTEOSA-N 509.414 8.169 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCc1ccc(Cl)cc1 2331449393 VGIKNXOJUIMPEF-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2363255535 DLVMJJOXVGOWLB-LBPRGKRZSA-N 501.509 7.558 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)c(Br)nn1C 2365227366 FGRHVURJZYQHOD-MRVPVSSYSA-N 598.728 6.402 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(Cl)cc2Cl)cc1Br 2379736160 UXZNAIJMRRZQSA-CQSZACIVSA-N 505.834 7.450 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OCc1ccccc1 867519 VOTURVBFXZUDST-MFOYZWKCSA-N 526.318 5.630 50 10 KKGE COc1cc([C@@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccc(Cl)c(Cl)c1 1102221 FIDZTXFDXXOGBB-NTKDMRAZSA-N 523.445 5.738 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccccc1 6906952 KPJJGNOZUVZTPP-WQRHYEAKSA-N 508.328 5.491 50 10 KKGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 8559393 KIIRDUAAXGLTNB-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 38603656 JVAGVAPCLQPZFO-OGLMXYFKSA-N 522.649 6.275 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 38684063 JFZVWMKZTQFKML-PMERELPUSA-N 528.605 5.775 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 38686436 AZTWTHXLOPTEJO-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822597 WIOHPOPOWLFTNA-IWBSIUBASA-N 507.590 6.295 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 58832858 IGSKYZAKOLVDGS-YDZHTSKRSA-N 507.590 7.177 50 10 KKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 100096578 WFAYGJUIFCCINW-ABMUTNKWSA-N 529.434 6.613 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 100227323 OMYVQRFBHOPCJA-XZJBEKIMSA-N 576.406 5.372 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 100233437 POWCRTOYEBSEBL-ABZYITTCSA-N 586.439 5.308 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 100237060 ILUZAQMQEYYTNG-QMBVZLLKSA-N 541.000 5.019 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 100953856 URXUKDDXABJLJS-HDRIVZISSA-N 547.442 6.241 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244444 ZSZZAIOWNBPZFV-NLTRVXJZSA-N 532.463 6.076 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O 101333333 GYNRXKQSCVIWQH-ZXVVBBHZSA-N 524.690 6.824 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101337644 NQNXYRDDEILACP-IJWQXWSJSA-N 540.623 6.216 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101375512 WXFPMNWMMHWQPP-UMSFTDKQSA-N 598.740 7.544 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382708 LEXBNWFTSFCEAT-HKBQPEDESA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383598 HJGIMWMJVQEJBZ-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385593 GFDNENSRQSQSGJ-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388753 VZELBMXZSNOBNW-MGBGTMOVSA-N 597.067 6.693 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101388860 KYZLALKQWXKWFU-XIFFEERXSA-N 580.612 6.314 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 101396590 DNXNGALPQVSRCJ-LJAQVGFWSA-N 536.628 7.364 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101398329 GEYNZAPTRQDNHW-MUUNZHRXSA-N 599.495 8.224 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc(C(F)(F)F)c1 102350074 KNAYZNTYGPJMCP-MOSHPQCFSA-N 542.579 7.192 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 103741593 FSDMADUEAOMDQZ-WPWMEQJKSA-N 554.323 7.201 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12 137889570 ACDRDZDWSKVKSC-CFSRXIPISA-N 520.629 6.619 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433432 ODFJMEDQCHDAQN-YTTGMZPUSA-N 655.490 7.515 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 150497004 IGSUVYVDDAMSFL-BIZUNTBRSA-N 634.692 6.948 50 10 KKGE C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 196550351 LDUCAYFXHYLHLP-QHAWAJNXSA-N 541.071 5.919 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 198745823 LQYFUXUWMZLSLX-PUHLOBNQSA-N 604.317 8.231 50 10 KKGE C[Si](C)(C)Oc1ccc([C@@H](CNCCCCc2ccc(OCc3ccccc3)cc2)O[Si](C)(C)C)cc1O[Si](C)(C)C 212556534 YIIGYZDGVXMOSM-UUWRZZSWSA-N 624.059 9.198 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(I)ccc1Br 234814132 MYMONTZUVWNSER-CQSZACIVSA-N 560.849 6.309 50 10 KKGE CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c3ccccc3ccn2c1C(=O)NN=Cc1cccc2ccccc12 254309205 QTELMZFMPQDARN-UHFFFAOYSA-N 575.712 5.377 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC[C@@H](Br)[C@H](Br)[C@]4(C)[C@@H]3CC[C@@]12C 254387012 ZUDMAHKBJVVHNY-MFDFQZJOSA-N 530.473 9.245 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 254396557 QBPOSRBQXCQYDD-UHFFFAOYSA-N 562.091 5.881 50 10 KKGE COc1ccc2cc(OCC(=O)NN=Cc3ccc(OC)c(OCc4ccc(F)cc4Cl)c3)ccc2c1 254671006 ZAJRVPGIJKUOAI-UHFFFAOYSA-N 522.960 5.758 50 10 KKGE CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254744598 FZXDGHFIPNYYRE-UHFFFAOYSA-N 527.602 5.016 50 10 KKGE COc1cc(-c2cc(C(=O)NN=C(C)c3ccc4c(c3)Nc3ccccc3S4)c3ccccc3n2)cc(OC)c1OC 254791328 GCKRDGBIBRRYAM-UHFFFAOYSA-N 576.678 7.290 50 10 KKGE O=C(CCCCCCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254825013 WECDOFGCMIGXIS-UHFFFAOYSA-N 590.724 6.786 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025272 VXKLAISHHCZDBL-PEJMYQONSA-N 756.833 13.612 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Br 380019166 SYQXAFPVVVQPGW-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1F 721614007 NLBDSZBVXHOFGC-LLVKDONJSA-N 540.342 6.562 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)cc1 725398743 IQCIMNVSIXPZAC-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 888085536 MUAZUFIWQGAINF-HRMVUEOZSA-N 637.081 11.139 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 1082990303 GJWFFYVLNIVRHJ-YAAQLNJQSA-N 583.280 5.698 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1083904691 GHDJFXFHLTVGBN-UHFFFAOYSA-N 513.692 6.123 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1083915864 HGGNNHQOZUWFLC-UHFFFAOYSA-N 510.450 5.602 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1cccc2ccccc12 1083947610 UICCHUIBITUDDT-UHFFFAOYSA-N 503.396 6.344 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1083994812 LMYXXEXHSQZSHF-UHFFFAOYSA-N 646.087 6.682 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084128857 FDVMEIKKWBYWFR-UHFFFAOYSA-N 518.526 5.872 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084152655 MAWGEUAAUFHXRO-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 1084343205 CQUNDYKRXMSWCL-UHFFFAOYSA-N 622.541 5.934 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084426363 MNWOIICTDPUYHS-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1 1084484662 ZSDBBHCQZWHPBW-UHFFFAOYSA-N 532.507 7.221 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1084544702 CDPYXRKNIXKZTN-UHFFFAOYSA-N 523.818 5.690 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(O)c1 1084558058 UAPYJUQOPXCLHU-UHFFFAOYSA-N 549.263 5.446 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1 1084633629 KCBMBIBHTUOMRT-UHFFFAOYSA-N 540.810 5.748 50 10 KKGE O=C(Cc1ccc(Cl)cc1)N[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614360635 XWYIKUXEHCGAOJ-MYZXOWNXSA-N 534.897 5.187 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743478 CIDBIPODMCJKIP-UHFFFAOYSA-N 510.388 5.390 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747273 LCNCZRVAXISQAZ-UHFFFAOYSA-N 573.005 6.594 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1 1865683290 IGNHZKNFVWXMIX-NRFANRHFSA-N 503.787 6.173 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 1865686023 QHYGEDDPOVSCGB-SFHVURJKSA-N 501.295 6.569 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687458 ROWSWXUOHIFOFK-MUUNZHRXSA-N 522.605 5.639 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865687719 YSCKGPLTNLFAND-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865695524 PGBMTDPRUUOOAF-XMMPIXPASA-N 543.421 5.927 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865696118 CNHJMEYRBIZOKR-JOCHJYFZSA-N 512.532 5.550 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698006 HVSPHUCGCNBZDB-FQEVSTJZSA-N 505.397 5.590 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698462 UPUQWBPBNWOAAH-RUZDIDTESA-N 526.980 5.250 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704182 POLBNXAARIDMFE-HHHXNRCGSA-N 552.556 7.150 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 1865705392 UPUAOMGIYBGXQU-HSZRJFAPSA-N 562.504 5.346 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865707386 VPZBGYSEGXCNTO-MUUNZHRXSA-N 565.599 7.289 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Cl)c(O)c(OC)c2)cc1 1865707433 WZRUAQGBDRWJQP-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866129489 WSWNLIKWLXBRHC-FOWTUZBSSA-N 574.294 6.835 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C)c1-c1ccc(Br)cc1 1866131607 DORNRPAFEDJHKC-GZTJUZNOSA-N 574.294 6.971 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 1866991924 PZQBPKRZTCNYQU-ZEQRLZLVSA-N 512.462 6.802 50 10 KKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868433374 JVXPMZSPNBSCRU-LJQANCHMSA-N 533.126 7.058 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)n2)c1 1868505934 NVOIEMVIFFQYJB-SANMLTNESA-N 552.635 5.554 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)n2)cc1 1868528148 NXRGHFXVEZTNOQ-CCLHPLFOSA-N 541.652 6.965 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)nc(O)c2cc1OC 1872727716 VOHWAIUCPAYWSC-CAOOACKPSA-N 538.387 6.311 50 10 KKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744792 IMCUIZTWQJLOGF-ATJXCDBQSA-N 518.381 6.867 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 1872793784 SQAPQRCWAOQDJJ-CJLVFECKSA-N 506.668 7.639 50 10 KKGE CN(C[C@@H](Cl)COCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1916333633 WFAYIEQVMHVUAR-CQSZACIVSA-N 501.657 5.201 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071143 GXSCVBQHLNFYQI-SSDOTTSWSA-N 544.353 7.543 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1Br 1924039578 KZBPTANZPFQFIL-XLKFXECMSA-N 512.865 6.609 50 10 KKGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@@H](Br)C1 1991457915 NYSQKNZXRPSGHK-UHYQSWOWSA-N 513.476 5.572 50 10 KKGE CC[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004479617 RHQSECFVYGBHKW-INEUFUBQSA-N 519.869 7.153 50 10 KKGE N#CC(=C1SC=C(c2ccccc2)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053606976 DBWXZVYDOMXTGQ-UHFFFAOYSA-N 504.619 5.548 50 10 KKGE FC1(F)CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2057461125 ORCKTCBRPWMPPF-ZETCQYMHSA-N 531.880 7.297 50 10 KKGE FC1(F)CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494134 KGUVVARCTIBLNT-QMMMGPOBSA-N 576.693 7.218 50 10 KKGE FC(F)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495032 OVYAUDBSLKKPNZ-JISPFJSISA-N 532.242 6.918 50 10 KKGE O=C1Cc2cc([C@@H](Cl)c3csc(Br)c3Br)c(Br)cc2N1 2150344776 SEGPUVKKBJJIOE-GFCCVEGCSA-N 500.437 5.858 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)Cc1ccc2c(c1)CCO2 2168656469 ZGVVXEBIHBZUOO-OAHLLOKOSA-N 507.991 5.667 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2206400661 RYHQUGMIFLCIGG-GLTNYXDESA-N 596.777 6.988 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1Cl 2232514408 UYHFNENRVHYZGD-AWEZNQCLSA-N 593.322 7.571 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081680 HWIMAEZIQGGOQO-HNNXBMFYSA-N 528.409 6.126 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293198215 KEPOQZKEVLMGSN-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2ccccc2I)cc1Br 2295437046 JCCKZEKYINEPQG-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE N#CC(=Cc1ccc(I)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2297213722 MFSUNJCVCQUOJY-UHFFFAOYSA-N 532.362 6.738 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 2297450799 IBQBJOZIYANJQL-UHFFFAOYSA-N 509.437 5.761 50 10 KKGE Cc1ccc(NC(=O)C(NC(=O)c2ccc(C)cc2)=C(Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297515826 DLHDAYVRTDJMRN-UHFFFAOYSA-O 590.083 7.074 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1 2313568786 YPBJBLZBGRMLHB-UHFFFAOYSA-N 560.492 5.991 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2314450053 VOXKMNVWKUJBPQ-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc(Br)ccc1OCc1ccccc1 2314502253 GXZQADRNNGFWHR-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314593683 RCAKRSFMSRXGMW-MUUNZHRXSA-N 509.675 6.657 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314617305 VRTPJHWWYZWLMH-UHFFFAOYSA-N 506.606 5.861 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 2314634868 XVUJIOJIWJTQMD-WJOKGBTCSA-N 559.062 7.001 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643313 PTYNPPLDXNCBDK-UUWRZZSWSA-N 593.079 7.463 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 2314736964 DPHUIHSKKCPCRJ-UHFFFAOYSA-N 526.633 5.981 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCC)cc2OC)cc1OC 2314738046 GYWQZMPHDQPGJU-UHFFFAOYSA-N 506.599 5.325 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(OC)c1 2314785645 GZVIJLQXJYXXKW-UHFFFAOYSA-N 571.512 6.343 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1OCCC 2331293371 BUCOZKGWHWEQIF-FQEVSTJZSA-N 506.668 7.771 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)c(Cl)c3)n2)cc1 2331345245 AOMSDECNKXFPBD-UHFFFAOYSA-N 513.490 8.972 50 10 KKGE Clc1ccc(CC[C@@H](Br)c2cccc(Br)c2)cc1I 2337219696 VQLXKQHMWUVRDB-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE CC12CC(C1)[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362895232 QAPFGBTZTFURHR-AAGZOSRKSA-N 596.777 6.988 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C1(CBr)CC2(CCC2)C1 2377342032 FRCPFMDXQOKEPK-UHFFFAOYSA-N 513.055 5.583 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 59435320 TXEBXFCVRHSAAM-LGJNPRDNSA-N 503.780 5.463 50 10 KKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 59462934 MTCRYCLTETWZDJ-ZRGSRPPYSA-N 508.250 5.932 50 10 KKGE N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C\c1c(O)c(Br)cc2oc3c(c12)CCCC3 97956069 WUUQHQSTBUJMTE-VHFSBPNMSA-N 637.559 7.623 50 10 KKGE C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844234 BKUPEHCWBMXHKC-AOZQFMOZSA-N 541.800 5.124 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 101013475 ZKWBDQGHFOISAX-CEUNXORHSA-N 607.157 5.952 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101245050 FLWGGZDHQHXHFB-IYQUHZLLSA-N 549.618 7.202 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101367765 BEDFDPMESUKYKL-GDLZYMKVSA-N 549.023 6.039 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101368185 BCCMSEDFCRSNPS-LJAQVGFWSA-N 549.023 6.120 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101374938 XVUJIOJIWJTQMD-UJKKLPCDSA-N 559.062 7.001 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380091 CHOFYDCXDYCZCZ-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380268 MRECAEUPEPTLBM-RCKGABTRSA-N 552.989 6.895 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383176 XHKVHVUPPIYNPT-PMERELPUSA-N 538.987 6.122 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383219 AUVCERGKSCQRPI-WFNLQYPOSA-N 569.444 7.409 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386923 LLZUZUGTJZMSIK-HKBQPEDESA-N 571.004 6.433 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 101387588 LIYIXURMLVEFPS-HKBQPEDESA-N 617.485 7.417 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101393404 VAQQZSKOIBGMPL-PMERELPUSA-N 566.654 7.229 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(C)cc4)cc3)c(C)c2c1 101397472 QYWYHTLNFIIGPF-XIFFEERXSA-N 570.645 7.628 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398486 ICBFHMXPZSBHEN-XZWHSSHBSA-N 566.997 5.883 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599441 JHJLCUXXZMIEJO-OGLMXYFKSA-N 523.412 5.683 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602346 MVZCRHLTCIRHCU-JVWAILMASA-N 536.755 6.146 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c(Br)c1 101620487 WWVCTLSUQMRJMQ-WEMUVCOSSA-N 562.464 6.674 50 10 KKGE Cc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 101751359 QVJBUUOIPVPNNX-HMMYKYKNSA-N 523.383 5.339 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)Nc2ccccc2)c1C 102924682 GXXMFOJXWFMVQA-NBVRZTHBSA-N 532.622 6.725 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1 103789614 CQCJTAUCZMCDJQ-PXLXIMEGSA-N 566.883 5.946 50 10 KKGE O=C1OC(=O)[C@H]2[C@H]1[C@H](c1ccc(Cl)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 104369682 RNHGEENJOGFIAY-HBMCJLEFSA-N 526.759 5.342 50 10 KKGE Cc1ccc(NNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Sc4ccc([N+](=O)[O-])cc4)cc2)C3=O)cc1 105604066 HFRGTPTZOVNZMG-UHFFFAOYSA-N 524.558 5.612 50 10 KKGE BrCCCCCCCCCOc1c(Br)cc(Br)cc1Br 125336466 UKOGUQMWMZDSTJ-UHFFFAOYSA-N 535.940 7.479 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430541 YSHURIDKUASGAN-UMSFTDKQSA-N 635.116 8.427 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 150462503 QSVRPFAFWWYZGT-HKBQPEDESA-N 649.502 7.946 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485850 WHFQGKGRPGGVIA-UUWRZZSWSA-N 645.539 7.907 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 150497699 BMCIOVPSEXNSDB-VUTHCHCSSA-N 654.148 5.006 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1 150639216 YSFJYYOHVFPHAJ-LICLKQGHSA-N 624.191 6.160 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCc1ccccc1 205776597 NQIFANSWXFUNDM-OGFOKVJJSA-N 680.786 6.343 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206507952 RCCNUVGGGDKCSS-WEDYXBIJSA-N 526.589 5.335 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1CCc1ccccc1 206670699 RVBFDVUVDXTUSM-XHPQRKPJSA-N 520.585 5.906 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(C(C)C)cc2)cc1 252626345 RAUIUVJSUPRDLT-SPGXISLCSA-N 517.073 6.231 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 252636480 XIQYJHHQFZNGGD-UHFFFAOYSA-N 516.601 7.025 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254447028 AVCAIOCWXZXSNX-UHFFFAOYSA-N 539.592 5.243 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)c3cc(C)ccc3n2)cc1 254493539 DLIUEVODJOYFQP-UHFFFAOYSA-N 618.553 7.698 50 10 KKGE CCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COC(C)=O)c3)c3ccccc3n2)cc1 254558306 MCRUDGBJFGROHT-UHFFFAOYSA-N 511.578 5.526 50 10 KKGE Cc1cc(C)nc(SCc2ccc(C(=O)NN=Cc3ccc(OC(F)F)cc3OC(F)F)cc2)n1 254812957 IQYPVYJOEIOTNQ-UHFFFAOYSA-N 508.497 5.352 50 10 KKGE O=C1Cc2cc([C@H](Cl)c3cc(Br)sc3Br)c(Br)cc2N1 394432881 VSTFRROVMAKYHK-LBPRGKRZSA-N 500.437 5.858 50 10 KKGE C[C@@H](CCc1ccc(O)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 503904043 XGMOSUNKDJMMOP-WLMPYFOXSA-N 611.899 9.263 50 10 KKGE in-vitro CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)CN1C(=O)CI 504643152 RWFLLQUFBKGYBI-IVUJLWJZSA-N 513.504 6.188 50 10 KKGE C[C@H](COCc1ccccc1)CC(CBr)(CBr)c1ccc(Br)cc1 719437378 HBSOUWYQUJNDRO-INIZCTEOSA-N 519.115 6.720 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3scc(Br)c3Br)c2O1 720026531 NHJUBUAKASBAQT-INWYIAFRSA-N 501.465 6.687 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 725381415 PMUPBYXXLMGHDA-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 1084022857 CNQLOVOOYIEXGJ-MUUNZHRXSA-N 608.476 6.386 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1C 1084027163 HJWMXEXTPHWTJA-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc(-n5c(C)ccc5-c5ccccc5)cc4)o3)[nH]c2c1 1084049181 WOMWLZGBMPKIDP-UHFFFAOYSA-N 531.641 7.146 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1084441377 UNPFQOIXYILFSC-UHFFFAOYSA-N 507.678 7.517 50 10 KKGE CCOc1cc(C=NNC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 1084568872 SXIPNNBONMOPIL-UHFFFAOYSA-N 503.451 6.604 50 10 KKGE CN(C(=O)Nc1ccccc1)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088691959 MANOFEGEYKOHAE-OAQYLSRUSA-N 515.467 5.339 50 10 KKGE N#C/C(C(=O)Nc1cccc(C(F)(F)F)c1)=C(\Nc1ccccc1Cl)SCc1ccc(C#N)cc1 1088726985 COZOGFFMAGMPCG-GFMRDNFCSA-N 512.944 6.950 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719605 DMBICMPGLKATNC-GOSISDBHSA-N 541.000 5.201 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865685019 CIHOQHPASVGHRF-CQSZACIVSA-N 520.125 6.723 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686471 WOMRXLRILGONGP-SANMLTNESA-N 504.977 6.573 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687764 AATRIONYDOHVOR-NRFANRHFSA-N 543.849 5.622 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689584 TVJJVRBMDCABLV-HHHXNRCGSA-N 575.040 6.415 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865690294 NOSIIAFLKWKXFV-NRFANRHFSA-N 551.396 7.044 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690697 YXRHSOGINDWMGC-LJAQVGFWSA-N 528.587 6.535 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865693981 NQBQHEWQPGDVEB-RUZDIDTESA-N 514.988 6.398 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694946 GHDUHNXLIBSSGZ-RUZDIDTESA-N 561.867 6.648 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698482 VBZFPPQEMFEPBA-HSZRJFAPSA-N 555.448 5.799 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701573 YIXFRZMEZSCTCI-MHZLTWQESA-N 545.470 7.237 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865702406 VEWMGWJDNSQXEX-AREMUKBSSA-N 570.491 6.375 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704488 XCSXOHXYZLKBPE-RUZDIDTESA-N 512.997 6.029 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705333 SMPOIYZLLGIQBH-SANMLTNESA-N 525.008 5.975 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706412 WELHNPPZNDOFAQ-HSZRJFAPSA-N 535.387 5.787 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865707111 NRMUFNQBSYJSOJ-WJOKGBTCSA-N 572.112 7.496 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(C(=O)O)cc1 1865709087 NJVPAIZDVSOSAE-QFIPXVFZSA-N 500.917 5.307 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865709585 YCHCBPYRCOSIHJ-MUUNZHRXSA-N 578.113 5.401 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865709621 YKDWZUOUEKUDQR-XMMPIXPASA-N 526.980 5.265 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866641054 NEFPAUNDGXFOPJ-NRFANRHFSA-N 504.593 5.178 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866881806 SFYRNPVXMYFDIY-LJAQVGFWSA-N 590.661 6.282 50 10 KKGE C[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946427 OSDWPWWHORBWRK-HJPURHCSSA-N 524.440 5.198 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007907 PPHYAZIOFMNBAH-IZLXSDGUSA-N 564.176 7.244 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867102400 HEDCSQBEHRUFLV-UFHPHHKVSA-N 549.737 6.976 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434201 XTWXNZRKPNOUAM-UHFFFAOYSA-N 513.026 5.967 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752850 WEFJDYKFMYWCLT-QTVDBSQPSA-N 505.777 6.215 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754537 XMIHICIJBQXXLD-KOAPHTDDSA-N 501.608 5.676 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1OC 1872759511 QXGJEZWSLZEERJ-SXBLVHDYSA-N 505.596 5.238 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 1923074284 JPNRBCHQGZAMFW-OAHLLOKOSA-N 551.525 7.990 50 10 KKGE Cc1cc(F)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924586430 XTYBRQOTVWAPOS-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Clc1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595334 XTTUUOMNIJTUBN-SECBINFHSA-N 558.742 7.780 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@@H]32)c1Br 1924616368 OBDVUBJWTWHBEV-JVZYCSMKSA-N 507.911 6.908 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)sc2Br)c1Br 2083335991 WEVMSBIXXRWYLI-LLVKDONJSA-N 582.775 7.591 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2085495072 PBYSUYWROJUOLW-LBPRGKRZSA-N 582.775 7.591 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085495406 KITYARYXTMVWQE-NEPJUHHUSA-N 526.288 6.586 50 10 KKGE Cl[C@H](C[C@@H]1CC[C@H]2C[C@@H]12)c1c(Br)c(Br)cc(Br)c1Br 2141469819 XCDSPGFIJAJRBU-LITAXDCLSA-N 536.327 7.453 50 10 KKGE ClCc1nc2cncc(Br)c2n1-c1ccc(Br)c(I)c1 2151791114 UUZXSIGASNYSCN-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)[C@@H]1OCc1ccccc1 2234072554 ZMESOMNJPTXFND-ICSRJNTNSA-N 512.673 6.857 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1I 2257367897 DODCOMMTGJVRDS-LLVKDONJSA-N 522.427 6.215 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)c(Br)c1Cl 2283557033 ALRYLRUCYIKLQT-LLVKDONJSA-N 503.481 7.036 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(=O)OCCOC)c1C 2296144876 IHCGKJWOHNBMIO-UHFFFAOYSA-N 557.650 5.154 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2297460645 GIPNXPDQLYGUIN-VWLOTQADSA-N 511.603 5.237 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1 2313571004 LDFQRUYNOWQXKR-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 2314479232 GNMYMOCWXZGPRA-XMMPIXPASA-N 586.739 5.607 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 2314490159 YHHYMFVUFZTLNX-UHFFFAOYSA-N 528.593 6.842 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314532482 JJVGDHJKTUMCKC-UHFFFAOYSA-N 532.522 6.349 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 2314533893 UUDDDYHEOADXOD-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592055 KXDZLOYASQZKTF-RUZDIDTESA-N 518.038 6.112 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(CC)cc3)C2=O)cc1 2314592323 QUWVVJNORTZFGW-GDLZYMKVSA-N 539.701 6.665 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314594149 ZSZZAIOWNBPZFV-XMMPIXPASA-N 532.463 6.076 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314616933 NAPRPUFEJSUGJL-HXUWFJFHSA-N 518.617 5.706 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314617274 VDMCLHLALHGTRJ-HXUWFJFHSA-N 570.605 5.384 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314617425 YBOMOELJMXUYMP-UHFFFAOYSA-N 520.633 6.253 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617984 FDBJZGXIFZGNOD-UHFFFAOYSA-N 532.600 5.960 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634811 ORAIRQLUAAEBNT-RUZDIDTESA-N 521.356 5.617 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccc(Cl)cc1 2328799914 SRXRJOKHKLZYHR-QHCPKHFHSA-N 504.027 5.317 50 10 KKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1 2331260202 OKKWXNSFWDPJBM-UHFFFAOYSA-N 513.373 5.267 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 2331282278 YCFJXLMYLJDJDV-UHFFFAOYSA-N 516.044 5.597 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 2331318508 SRPOWHCDTWLXKL-FQEVSTJZSA-N 517.607 5.621 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1 2339649263 UBWFOLOEVMKRKJ-GFCCVEGCSA-N 515.840 6.906 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2339677095 BGADMKNFTQWWPY-IBGZPJMESA-N 543.068 7.722 50 10 KKGE C[C@@H]1CCC[C@](CI)(OCc2c(Br)cccc2Br)C1 2340604836 YUAQTRTYFOFJEB-ABAIWWIYSA-N 502.028 6.112 50 10 KKGE Cc1scc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2343564203 NEFARAZYTYIJTR-NSHDSACASA-N 511.863 7.465 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362227321 CTPVYMLTHCPQQX-LLVKDONJSA-N 601.248 7.232 50 10 KKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@H]1C(F)(F)F 2362228532 OBSILMXJKGGJMI-DADVEIPYSA-N 503.353 7.029 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1C[C@@H](Br)C12CCCCC2 2367598998 AIQMZGGNSCBIAY-CABCVRRESA-N 514.039 6.057 50 10 KKGE Fc1ccc([C@H](CI)OCc2cc(I)ccc2Br)cc1 2367609545 ABAFUXFZECTADQ-HNNXBMFYSA-N 560.970 5.886 50 10 KKGE Clc1ccccc1C[C@@H](CBr)Cc1ccc(I)c(Br)c1 2377353164 NXMWBEHFHZCYKZ-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE N#C/C(=C\Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 2562206 JLYSFHKVBLHRSM-LDADJPATSA-N 514.312 6.450 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C(SCc1cc(F)ccc1F)SCc1cc(F)ccc1F 3052461 UYSXPSGILRQLRH-UHFFFAOYSA-N 506.521 6.923 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3255513 KFAPXNJMUZFJJO-RQZCQDPDSA-N 502.195 6.881 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)C(=O)Nc1cccc2ccccc12 4520330 FJSJYSYIPUUXCL-FXBPSFAMSA-N 521.558 5.236 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14640822 GXCSNWGCVGPDLO-UHFFFAOYSA-N 525.443 6.062 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 29492392 DAXOSIGLAKNIJK-MCLDLAQKSA-N 622.750 8.493 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 33782500 RDRJPAZPSHFQEW-STZFKDTASA-N 510.059 6.901 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 34719954 CEJAYLLQPAFBAA-VECHRTTRSA-N 504.011 5.722 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38681114 IUWKNYHZJKDMID-LJAQVGFWSA-N 512.562 5.079 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCCC(C)C 38684338 WZQIYJLCOZYVKW-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813669 OPWMYADOFPRUNO-RDRPBHBLSA-N 516.381 5.635 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1Cl 58895071 ZJZQUBAETSXJGK-XTYFKDDUSA-N 507.030 6.010 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 100234339 OCFQWHOUHZBOLO-XAHJCJBOSA-N 622.563 7.936 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 101013097 SVJNLUBZUBQSHU-NKFKGCMQSA-N 541.051 7.316 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101372452 MKGXKUYMUMYCDY-MUUNZHRXSA-N 578.021 6.653 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101375461 CMMXTCNHPNTDKJ-ROTAYESASA-N 574.649 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380236 QQKFEVYLDQZAIQ-SSEXGKCCSA-N 591.422 6.914 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384169 KOOAIMKZUUSORX-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(C)cc1 101385412 JINOTIJCCLCLQJ-UUWRZZSWSA-N 576.649 6.402 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Br)cc2)cc1 103741592 XBVJJXRSUSFIEQ-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1Cl 150460185 BCDSNINOJRCDFD-XIFFEERXSA-N 694.011 9.241 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 164616976 QQUPDZMLPAEFLJ-VTNSRFBWSA-N 639.344 6.684 50 10 KKGE O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Cl)OCC1c2ccccc2-c2ccccc21 196207714 GKHIGWPLGJZONE-GDLZYMKVSA-N 512.005 6.481 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 197184103 QJZFVYJIGWEKIR-OPJDJTOASA-N 919.761 9.476 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 205650022 KLSOVECDXPVZRC-HXMIJXCRSA-N 560.606 6.120 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205778104 BFABMOATQOOCLV-NLBMTHMHSA-N 716.819 7.188 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253570034 NBTDYVVKZBJIOZ-ODIUUIGESA-N 697.651 5.652 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254439527 VLYVPQUFEZDKRN-WFDFOECKSA-N 563.610 5.314 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c1 254627001 MFLYFLAKHTUCFF-UHFFFAOYSA-N 550.684 6.092 50 10 KKGE Cc1cc(OCC(=O)Nc2ccc(C(=O)NN=Cc3ccccc3Br)cc2)cc(C)c1Cl 254845695 PJMBPQUEBBDLEF-UHFFFAOYSA-N 514.807 5.501 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1sccc1I 311119361 XCVPTEQLPXLEOJ-GFCCVEGCSA-N 502.009 5.998 50 10 KKGE OB(O)c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)c1 514287304 QDZNPZXQJSDBTC-UHFFFAOYSA-N 522.412 8.302 50 10 KKGE O=C(N[C@H](CCBr)C1CCCC1)c1ccc(I)c(Br)c1 725086306 HENFSFSDZXUXHY-CQSZACIVSA-N 515.027 5.127 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 725393987 OOEYLLSLQBQZBG-QFIPXVFZSA-N 672.155 6.359 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 725410503 BKIUZSBZEWIUID-QHCPKHFHSA-N 535.855 6.588 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 725427365 DUKKOQKZTFSAOI-QFIPXVFZSA-N 719.155 6.201 50 10 KKGE CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 888086414 LWAAOJHWRKLBEH-NUXMPPRLSA-N 616.563 9.566 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCC#N)cc1 1083875102 NSJVFMDLUPXYAR-UHFFFAOYSA-N 513.395 5.882 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl 1083904699 HQAMLHCVJCAKSC-RQZCQDPDSA-N 532.221 6.889 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1083996537 QMJVMMFKWJCCGP-DEOSSOPVSA-N 753.202 7.144 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1 1084068541 MMXVJLKSGSKQKQ-UHFFFAOYSA-N 514.294 5.519 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 1084085632 OBULZSVNZCXOMO-VWLOTQADSA-N 525.418 5.860 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1 1084098279 UISQFOHSMWHQGE-UHFFFAOYSA-N 522.399 5.461 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1 1084440851 LVPKRQHCULWWSD-UHFFFAOYSA-N 719.086 6.887 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(F)cc1 1084594851 HCLHUTXRJPRYPF-CXUHLZMHSA-N 550.211 7.028 50 10 KKGE CC(=NNC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1)c1ccc(OCc2ccccc2)cc1 1084654779 VYGWPZWUEPEEEX-OAQYLSRUSA-N 576.480 7.132 50 10 KKGE O=C(NN=Cc1cc(Cl)cc(Cl)c1Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1088715360 RPWNORJDWQGNMD-UHFFFAOYSA-N 502.612 6.340 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1554495710 QGKIGFYYEOGTJL-QARUYTJNSA-N 597.741 5.351 50 10 KKGE CCCCCCCCCCCCCCCCCCOC(=O)CCCSSCCCC(=O)OCCCCCCCCCCCCCCCCCC 1615944136 ORSMPNIPRPZSDU-UHFFFAOYSA-N 743.302 15.538 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684622 UHBLPWQVJIQCKX-HSZRJFAPSA-N 531.385 5.727 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687674 XQIPIESULCWJCT-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865688939 FXQJHKAMUHPIMI-SANMLTNESA-N 508.578 5.563 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865689516 AZLPCYPTJMOFMY-FQEVSTJZSA-N 502.924 6.332 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865691046 HWERXXOFHCJSAS-AREMUKBSSA-N 504.606 5.819 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(C)cc1 1865693384 NTAYPNVYOQWCLV-AREMUKBSSA-N 506.606 5.922 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865694036 OCHAQWILMQDHMI-RUZDIDTESA-N 557.448 6.317 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(N(CC)Cc2ccccc2)cc1 1865707287 SLIARAGMUYRDFL-NDEPHWFRSA-N 519.649 6.213 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712319 VNOYUGCHXWEUDQ-SSEXGKCCSA-N 534.660 6.478 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866979985 MFUMADSBSUCXBR-IZZNHLLZSA-N 503.624 5.080 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1868277748 HEOVZIMEXPVHJB-JOCHJYFZSA-N 519.074 5.690 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)c(F)c5)cs4)cc3C2=O)c1 1872751819 VLXNDHYLRAEXIS-QQTULTPQSA-N 513.525 6.456 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(Br)c(OC)c1OC 1872757275 YFUJVUZQTSOLGK-PGMHBOJBSA-N 515.429 6.474 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1873795146 UEOPMSWZJQUYST-BXPUGBIQSA-N 508.446 5.962 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)c(Br)s1 1924033963 WTLUBAYXUDHQSL-KSBSHMNSSA-N 518.894 6.670 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925584878 LOYYIUIINUDGGC-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 1950600173 VIERZUYITNZRCP-ARTQYDKTSA-N 509.883 6.041 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1cc(Br)ccc1Br 2027335969 MBXGMRUEEQOMDM-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE C[C@@H]1CO[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493597 DPQMBARWNLMXMP-MVISFBTESA-N 570.739 6.598 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 2086382809 XIGJLRQEMGOZAF-ZDUSSCGKSA-N 502.009 5.998 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206396619 YYRMGQOVNQMDQL-LLVKDONJSA-N 720.511 8.746 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400863 TWBIZZAXPQVDDT-LLVKDONJSA-N 631.609 8.528 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2209349840 UNNYFXCASUWWRE-ZETCQYMHSA-N 586.925 5.638 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCOC[C@H]1OCc1ccccc1 2234055779 DKAMOGPYCPCCAP-PKOBYXMFSA-N 514.645 5.847 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C 2236060965 HSGMUPOJVGQXBK-SFHVURJKSA-N 501.327 5.673 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(Br)ccc2Cl)C1 2245930662 KTWMGDIUWNXGEN-KBPBESRZSA-N 516.601 5.042 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sncc1Br 2260005753 LBEXFXGVSALYSD-MRVPVSSYSA-N 526.820 6.193 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2267651793 PWDFGNGRDKSQPO-JTQLQIEISA-N 518.389 6.525 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 2296506923 LXTHIEOZYOVCKH-QFIPXVFZSA-N 606.851 7.186 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)c1 2296506937 MGMBGBIFXWSVSY-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296507063 RJRPPIXSTZNHKZ-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2297455263 KWSCMEPWIIIRPL-UHFFFAOYSA-N 565.432 6.380 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 2297459929 ZBPSBVAZTGPQMA-UHFFFAOYSA-N 543.472 7.696 50 10 KKGE CCSC(Cl)=C(NC(=O)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497893 CSQGGZVTSJPWLD-UHFFFAOYSA-O 537.472 7.182 50 10 KKGE O=C(Nc1nccs1)C(NC(=O)c1ccccc1)=C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497948 LWKFXOQTYOHOGX-UHFFFAOYSA-O 610.699 6.875 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 2313568645 VQMYNIGUNYKVEI-UHFFFAOYSA-N 509.375 6.420 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CC[C@@H](CC)C2 2314571539 GVLQIZZQIRMUMJ-MRXNPFEDSA-N 509.027 6.899 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593906 VWCAHIHIPGBMQK-NIYFSFCBSA-N 560.517 6.315 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314616455 AXPXBKGSGXVBQJ-UHFFFAOYSA-N 512.997 5.760 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314617569 DUNQYSSTMINXMM-UHFFFAOYSA-N 528.612 6.039 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2C)cc1OC 2314728994 RBRIAHSNUFUFPY-UHFFFAOYSA-N 518.395 6.113 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1 2314754733 ZNTOQLWHPDRVLI-UHFFFAOYSA-N 534.568 5.709 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1coc(Br)c1 2317420537 PZBGHHVKWUZTEM-JTQLQIEISA-N 505.801 6.499 50 10 KKGE CCC(=CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329559886 DIAZSFWEVZJYKP-HHHXNRCGSA-N 531.703 6.119 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)nc2c1 2331046553 SFMLEXLVHKRMSZ-UHFFFAOYSA-N 536.371 6.081 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 2331232005 ZCZDSONIFSWHFL-UHFFFAOYSA-N 521.598 6.059 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c2ccccc2)cc1 2331331616 WAXKWNPZEMBTKY-UHFFFAOYSA-N 520.698 8.928 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1Cl 2331381213 XISOGVNGXAKHGD-UHFFFAOYSA-N 512.975 5.939 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331386790 OSXQXNINYXMRKU-OAQYLSRUSA-N 521.620 5.038 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335355627 JAUFHRUJCAFTDW-LLVKDONJSA-N 511.863 7.512 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360423251 LJTVCAZBOXZEPF-LBPRGKRZSA-N 512.346 6.967 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361173748 VHDXBUNJYIPVPK-ZLGUVYLKSA-N 514.279 5.679 50 10 KKGE CN(Cc1c(Br)cccc1Br)c1cc(Br)ccc1CBr 2366161346 OOTMNIHVXGKOIZ-UHFFFAOYSA-N 526.892 6.505 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 6167475 XRLRTKDYJNZBAJ-NIDPXVSQSA-N 607.729 5.627 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 8398276 SDRFIKPJSDSKJS-UHFFFAOYSA-N 624.162 7.387 50 10 KKGE Cc1ccccc1N1C(=O)[C@H](Cc2cccc(Cl)c2Cl)S/C1=C(\C#N)C(=O)Nc1ccccc1 12273802 VFLGSBRRTHXTHJ-HLELUFFISA-N 508.430 6.367 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14768829 OHXYLNFPOMFURB-NRFANRHFSA-N 517.807 5.153 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 34799117 TXIXXGZNOVQFEN-SDXDJHTJSA-N 519.579 6.298 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1 38678858 XPYFYHKCBDCJKT-VWLOTQADSA-N 519.395 6.065 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1Cl 38688305 WKMBJMWZFUQQQF-QFIPXVFZSA-N 501.753 6.093 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38700895 VMPKRWBINILKPI-AREMUKBSSA-N 508.530 5.582 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc21 38701437 SEQNLLSYQDPQGK-VSGBNLITSA-N 512.562 5.219 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 40514533 KKJSSSFLNMCLQQ-TURZUDJPSA-N 520.633 6.253 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc(Br)c1 48573687 HULWCZZRHPXVRS-LQKURTRISA-N 509.400 5.738 50 10 KKGE COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1Cl 59680164 PFULTKPXWUWPPZ-OPEKNORGSA-N 501.720 5.659 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 100235277 QCTUUBLLZYDDTF-MIIVUHEXSA-N 615.322 6.025 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 100452854 GXUWOVJAMYRTMO-LKHJKXADSA-N 526.247 6.843 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccccc4)c(NC(=O)c4cccs4)s3)o2)cc1 100919880 VZFRMFPFROFSEC-OQKWZONESA-N 551.649 7.625 50 10 KKGE N#C/C(=C(/O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 100989592 GIPZHRAENXVITD-PGMHBOJBSA-N 528.771 7.344 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)S(=O)(=O)c1ccccc1 101012605 FDOWGIKVFUCNNZ-CEUNXORHSA-N 535.600 6.596 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241579 NYZPDEWRPGPITA-IVYNLYIOSA-N 500.451 5.845 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243931 FEDFXTFTRDBDQJ-VQRXHYNNSA-N 525.674 6.006 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101336932 PEZHGJFMFPVOAR-RZZUAFPKSA-N 543.421 5.073 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101337578 LTQZBIUEOGDXAI-WWSKRGBXSA-N 556.666 6.928 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101340421 PAKIJLGWKBMIAQ-CVKSISIWSA-N 533.519 5.379 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1 101367371 FNURXYBXNPKSLG-GDLZYMKVSA-N 549.539 5.620 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367415 YSUFPMOJWDZQGZ-MGBGTMOVSA-N 576.649 6.890 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OCC)c2)cc1 101373978 IZKSMTRCDOMFDE-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101376278 JIWQOZXCTWBMDY-GRKAQFOZSA-N 549.454 7.399 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Br)cc5)ccc43)cc2)cc1 101378491 PAQRCQVHPKYECK-WJOKGBTCSA-N 597.465 6.539 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5Cl)ccc43)c2)cc1 101382168 KCRJNFIXKXFXGL-HKBQPEDESA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382681 CHZMSDGTAHUAAX-PMERELPUSA-N 556.977 6.261 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386592 ZRXWWHNKHFWHJM-WJOKGBTCSA-N 570.548 5.755 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)oc2c1 101393712 UKQZWBIWAWXLCV-SSEXGKCCSA-N 528.564 7.279 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 101396568 HWTJBWAKKUMMMM-PMERELPUSA-N 536.628 7.310 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607243 LCNCZRVAXISQAZ-GZZLJNBRSA-N 573.005 6.594 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1F 101727100 ZFQLZVFHPWRSLV-VFLNYLIXSA-N 586.508 6.542 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 101767325 AZOAUXJZJMSGDT-AXVACJNXSA-N 559.460 6.621 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102943815 NXUMXIWYVRKXMF-IIDMWAACSA-N 598.647 7.928 50 10 KKGE C/C(=N\NC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1)c1ccc(OCc2ccccc2)cc1 103562675 VYGWPZWUEPEEEX-HMIJJWHXSA-N 576.480 7.132 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc(I)cc2)o1)c1cc2cc(Br)ccc2o1 103876921 SEYQUQACOBUPPD-FOKLQQMPSA-N 535.135 5.824 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1 103887506 ZFGJOMXRLWEOOB-JAIQZWGSSA-N 587.255 6.795 50 10 KKGE BrCC(CBr)(Cc1sccc1Br)c1ccc(Br)cc1 118671750 WWCSJFLHAUCTTB-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433133 NKJVQLPXAVGTMU-JGCGQSQUSA-N 635.475 7.313 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433733 NQXMHEPVXACPAE-UUWRZZSWSA-N 669.561 9.026 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442296 FULOAKMWYRQCRL-PMERELPUSA-N 643.548 8.623 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150483113 SJWLZBKUMOHTSP-NDEPHWFRSA-N 633.940 8.878 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483824 WXWNRIJLQMFAMD-BHVANESWSA-N 663.557 8.537 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214243355 SNXLHUYSSTZASB-DYACUJSXSA-N 625.795 6.132 50 10 KKGE N#C/C(=C/Nc1ccc(Br)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216485485 OAIKNDGJDSGKDW-ATJXCDBQSA-N 501.428 5.202 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cc(Br)cc(Br)c1O 252590844 AVYULMIBNBYOQC-ZDUSSCGKSA-N 628.778 5.591 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccccc2C)cc1 252620848 MNKOKYLYXAOSQM-UHFFFAOYSA-N 512.613 6.925 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]4CS3(=O)=O)CCC[C@@]21C 253387388 YAFPKHBUEBAVRS-HAXWRAQHSA-N 508.841 6.568 50 10 KKGE C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Oc2cccc(Cl)c2)cc1)c1ccc(C(=O)Oc2cccc(Cl)c2)cc1 253570336 NLSOGPFWMZOCJF-UHFFFAOYSA-N 595.627 6.973 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2cc(Cl)ccc2O)n1-c1ccccc1 254757518 VHZIGKOGRUYOLU-KRWDZBQOSA-N 646.942 5.782 50 10 KKGE O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 254814815 PSLRUHNDOMQMJR-UHFFFAOYSA-N 503.650 5.819 50 10 KKGE Cc1cc(C)c([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 380454068 QIFKHICHHLXBJO-INIZCTEOSA-N 528.453 7.070 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627080 KIELDCCFMKNOOM-ILHNZTFMSA-N 968.182 6.765 50 10 KKGE in-vitro Clc1cc2c(cc1[C@H](Br)c1scc(Br)c1Br)OCCO2 705466376 UGXNOXIFAZTASQ-NSHDSACASA-N 503.437 6.182 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1 725237724 MODIBWNUEPLCAJ-SFHVURJKSA-N 512.903 5.881 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 725380946 BXLXMLQKWJUUEH-UHFFFAOYSA-N 597.510 5.650 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817463 FAGFLKDXAVYVFV-LXSUACKSSA-N 672.973 7.366 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccccc2C(=O)O)cc1 1083941724 IKJSPFLRISZDRQ-UHFFFAOYSA-N 562.047 5.506 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Cl)c3)c2C)c1 1083983360 PKXSKAGRSSHYLA-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1084189500 IWRWDFUNKVOPQW-XMMPIXPASA-N 541.988 5.198 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084210099 PEUGXANWUBZMDU-OEAKJJBVSA-N 521.444 7.554 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084567669 YYDPBKIKDJBWKX-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 1084646965 VNNXHJGILTXFDM-GDWJVWIDSA-N 534.663 7.067 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccccc2Br)cc1 1084647679 LZHXDCZDBSMEMO-UHFFFAOYSA-N 578.488 5.617 50 10 KKGE CN(C(=O)c1cccc(F)c1)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088669588 YCSALEPKJDEWCF-OAQYLSRUSA-N 518.442 5.086 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653103 DTITZBXYNMIWCJ-VNGAGHNVSA-N 574.544 6.876 50 10 KKGE C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 1615009327 QSIKETLMFYAUIR-MQHXSSBVSA-N 639.709 6.296 50 10 KKGE CC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665402 FYWPUSMWQOIDNY-AMXTVBBLSA-N 535.651 9.113 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865690759 AHHAVUCBVOTDIR-QHCPKHFHSA-N 552.473 5.778 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865692025 HNFONFPMTJYHDP-QHCPKHFHSA-N 537.458 5.580 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865693209 SSFZIAVGRNNIGK-XMMPIXPASA-N 569.475 6.191 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695505 DKUKJQLABVUEQS-XMMPIXPASA-N 543.421 5.602 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865696257 YRMCEFKTVZIPFD-DEOSSOPVSA-N 566.967 6.659 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865702758 DRNXJFKAEMZELJ-DEOSSOPVSA-N 568.958 6.848 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703651 XZMBHNSOARCFBH-QFIPXVFZSA-N 512.532 5.816 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703831 GOOPMTBQVQEFTO-NDEPHWFRSA-N 575.496 6.915 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715214 ZHKYYGURAUJTIR-NRFANRHFSA-N 520.332 5.678 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866990879 KQZDHNLWTMSOQB-IZZNHLLZSA-N 572.583 7.363 50 10 KKGE Cc1nnc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2cccc(Br)c2)o1 1867035355 VGXQLMJIEZAGRI-NOZRDPDXSA-N 576.476 5.732 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1872756776 ADKTYUIWDXMVAN-VZCXRCSSSA-N 507.999 6.125 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914232435 PSIGKUPXGNITRE-GFCCVEGCSA-N 537.033 5.480 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(I)ccc2Br)c1Br 1922946940 WZKSHXLYUIIZAZ-SNVBAGLBSA-N 585.324 7.277 50 10 KKGE Fc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579917 LUJXTSPBFAJXQA-RXMQYKEDSA-N 513.871 6.721 50 10 KKGE Brc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924616452 OVQSIYWLOZESQU-MRVPVSSYSA-N 647.644 8.045 50 10 KKGE C[C@@H]1CCO[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494863 GANKZFZVGPHFTJ-ZSCXHOBISA-N 526.288 6.442 50 10 KKGE Clc1cccc(C[C@H](Br)c2ccc(Br)cc2I)c1 2086145947 SZMJEJFPULTUQN-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 2136380272 SWWSFRYFYAYISA-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE CC(F)(F)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471458 RSYPYADODATWFI-LNJITKNMSA-N 546.269 7.308 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(C)c1I 2145955039 FONVIFITTABUKM-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(C)c2I)c1Br 2201083208 XMYLHFIZRIEXRU-HNNXBMFYSA-N 572.904 7.226 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1C 2215944690 MJILEOSTNOKGIU-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218607017 XYDISEWIUZJGIE-GFCCVEGCSA-N 505.801 6.499 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616046 MPWFDWIHYZWIIL-ZDUSSCGKSA-N 566.803 6.579 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514266 UMBBRXAPEPHXLQ-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234061586 VIQNASKKJLUDNS-GDBMZVCRSA-N 511.689 6.068 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 2235608035 ICKXPCUOWXBEBN-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1I 2269542872 LPRXCJNBFLFLBF-AWEZNQCLSA-N 563.398 5.995 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(Br)c1Br 2272747938 PLCZOGVANNQLDI-ZETCQYMHSA-N 604.728 7.561 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc2cscc2s1 2288496763 LDBZDHJFOJXAFO-LLVKDONJSA-N 503.025 7.250 50 10 KKGE N#CC(=CNc1ccccc1I)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295894375 YDMWFCSXQPNANZ-UHFFFAOYSA-N 576.213 6.260 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=Cc1ccccc1 2297304490 CWHGJDQEJVCBBH-UHFFFAOYSA-N 509.679 6.529 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545999 VBWVGHZCAIUXBF-UHFFFAOYSA-N 628.308 5.888 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1 2313567334 JBJJTLAFBALBBR-UHFFFAOYSA-N 595.335 6.355 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C)cc1 2313567412 JVZXANGQWIVYEN-UHFFFAOYSA-N 502.014 5.492 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc2ccccc2c1 2313570852 HSVJSYILUIDHOI-UHFFFAOYSA-N 557.477 8.398 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1C 2313667271 JLZYYUXPXYMXPE-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 2314433908 XDEDFQUIOOKVMN-GOSISDBHSA-N 554.469 7.596 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593228 JXPQCVHSTUWRIO-AFMDSPMNSA-N 532.065 6.042 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593596 PSWSGDGDLLRXLK-XMMPIXPASA-N 521.564 6.333 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593995 XDQASMFEGHELBR-SKCUWOTOSA-N 509.675 6.422 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 2314617336 WIMMAPQRUYSRFS-UHFFFAOYSA-N 562.601 5.878 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634632 QNIJLPSCZQTKRT-LJAQVGFWSA-N 510.590 5.838 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640659 IIQXIZZBTIHLHU-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643422 XUQRGXWZPOZPAV-PGUFJCEWSA-N 621.133 8.062 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305781 TWXYBOUPUZINSO-JOCHJYFZSA-N 505.621 5.419 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)cc1 2331341674 NQNUREVCIBVTGQ-UHFFFAOYSA-N 517.876 8.001 50 10 KKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2333303789 SZSKLKGGQCHHPS-LVUPCCEUSA-N 582.750 6.598 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccccc2Br)c1Br 2337112873 FXRUTFYWHODKMJ-LLVKDONJSA-N 536.258 7.251 50 10 KKGE CC(C)(C[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br)C(F)(F)F 2362224747 RVOQMKOOVNFKJQ-LURJTMIESA-N 505.369 7.419 50 10 KKGE Cn1nc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1Cl 2362235763 NKHIYNMKOHPPSV-SSDOTTSWSA-N 574.695 6.638 50 10 KKGE Clc1ccc(CO[C@@H](CBr)c2ccc(Br)cc2)c(I)c1 2365644257 BNDRUWPZJJVWRC-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N1CCCCC1 35446087 BSQFCJVCUKKHCK-XIEYBQDHSA-N 506.581 6.177 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 40529757 NCQDZMQAHVTBOM-XMMPIXPASA-N 505.914 5.474 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)c1 40530089 QJTACLNWUAZPRY-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 50860306 UUWHQHGTGJDAPQ-UHBFCERESA-N 529.069 5.783 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1ccccc1 59432759 IBMZHAXBBSWTKX-LICLKQGHSA-N 502.195 6.881 50 10 KKGE CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924198 WIMMWIAJQXLZLL-VTQDYBALSA-N 533.876 5.184 50 10 KKGE in-vitro C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 100096704 BBJPJWLKOGMBCA-PGYFOQMFSA-N 559.460 6.525 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100176155 AVKALHMXHUKQMD-IBGZPJMESA-N 566.496 5.844 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1OC 100869883 ZDVPQYULSYLFBB-MUFRIFMGSA-N 531.392 5.539 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244251 DPORNIZGLHNIBH-PZJRUVIDSA-N 550.511 6.914 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245953 VKUQQTCVLJVGJA-VWOOYDPRSA-N 536.484 6.929 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101334359 QELANEOAWGZUSZ-ZWFLUXFESA-N 560.629 6.648 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101337495 LUNFCANRPYCXQH-QZLJHNFXSA-N 559.582 5.810 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101337506 NVDJCSLBFBCHFV-YWLXHOSYSA-N 631.758 6.067 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 101339134 DMQCSIGDWUBHJJ-YZSQISJMSA-N 609.082 6.053 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101375164 BKNPEEWJBHZKCK-PVAZPRTOSA-N 584.713 7.225 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101375498 RREARBGVRBCBHA-JGCGQSQUSA-N 591.104 7.209 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385521 NYZPFEPFAZOTPM-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385624 GZJSGNNYJUDDQR-YTTGMZPUSA-N 599.039 6.139 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101386949 OIUKWMQLUYNXJW-HKBQPEDESA-N 587.003 6.269 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387767 CEKNKDPSESCDQD-QLJMPRFYSA-N 614.742 8.107 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1Cl 101388168 YWHACKDWRFMVTQ-NDEPHWFRSA-N 559.043 6.817 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)oc2cc(Br)ccc12 101390985 DTDYCONGXJWAFL-SSEXGKCCSA-N 607.460 7.520 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 101395776 ISXSAQCGUAUPSW-HHHXNRCGSA-N 623.558 8.469 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)oc2c1 101398655 RLPZJKJSMPZOSS-HKBQPEDESA-N 560.581 7.205 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2c1CC[C@@H](C)C2 101645376 WALNXOFNBJCPJQ-OZBRXXBKSA-N 556.084 6.446 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 102291976 SEPYQLUCUYIMLN-CAQPMQTCSA-N 582.509 6.226 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 103722023 ZFDBEBLYUSXOJL-MWAVMZGNSA-N 573.716 7.113 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741744 RBBOPARJSZWUTF-DABWLCNRSA-N 577.287 6.092 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2OC(=O)c2ccc(Br)cc2)cc1 150423953 WATPKOVJJYARED-XTRPWQGESA-N 735.389 6.326 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 205666973 FLCDFPOJPBFWHE-GVHZNUNBSA-N 532.571 6.550 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214335298 KNGHWCKWGSZISG-DYACUJSXSA-N 556.666 7.072 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 214389509 WODDOEGREJLFAO-IWIPYMOSSA-N 530.621 5.956 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214428739 JSKOTPIHFKTKIG-FSGOGVSDSA-N 604.638 5.803 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 254346161 BQOUEIWRKXYPFO-UHFFFAOYSA-N 528.638 5.773 50 10 KKGE O=C(NN=Cc1coc2c(Cl)cc(Cl)cc2c1=O)c1cc(Br)c(O)c(Br)c1 254516267 BHQNHMZPTKZFBK-UHFFFAOYSA-N 534.975 5.094 50 10 KKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254550429 OZOMKLRMFBRCIG-UHFFFAOYSA-N 506.722 6.524 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 254763083 VLOSAICRBONSRT-UHFFFAOYSA-N 500.627 6.633 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 254879755 QHBIBURMEVXLRB-UHFFFAOYSA-N 617.787 7.344 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)cc1Cl 721615052 QTNVUIZFBXLKNK-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE O=C(NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)OCc1ccccc1 725238880 RNCFVVXOMJBMOI-RUZDIDTESA-N 521.038 6.780 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 725445476 KMXKDNIDICTGSY-UHFFFAOYSA-N 532.507 7.054 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1)c1ccccc1 1083948418 KDFYDWDLRXCIEX-UHFFFAOYSA-N 622.515 7.679 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084116928 VAWMUANRSIAJFG-OVCLIPMQSA-N 537.186 7.333 50 10 KKGE O=C(NN=Cc1ccccc1Cl)c1ccc(-c2ccc(C(=O)NN=Cc3ccccc3Cl)cc2)cc1 1084237116 GAAKCNUFXJLAFL-UHFFFAOYSA-N 515.400 6.188 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1I 1084269517 ZXPYKBLUDXRTEI-UHFFFAOYSA-N 515.738 5.159 50 10 KKGE CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 1084289808 RBIILFLWRVLKKE-CVKSISIWSA-N 584.749 7.604 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 1084346135 XFEVVPAPPCRWMA-UHFFFAOYSA-N 619.914 5.720 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Cl)c(Cl)c1 1084371147 CLUJNQJVNXXIAV-UHFFFAOYSA-N 555.281 5.097 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747094 DBMFCTZHUKFPNL-UHFFFAOYSA-N 509.562 5.641 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc(Cl)c2)CCC3)c(Br)c1 1772748023 MZOMLFLCVIHNDF-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(Cl)c5Cl)c(C)c43)coc2c1C 1772751576 FTBBNLCPKZZHQX-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865691210 MQUWMKIPHRSVFK-RUZDIDTESA-N 571.475 6.626 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865696393 FSBWHTHGTUCYAP-OAQYLSRUSA-N 529.822 5.281 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCCCc1ccccc1 1865696968 MEGZIWXUSXTMOV-MUUNZHRXSA-N 571.475 6.182 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Br)c1OC(C)C 1865697510 UXWCLNINUPWLAF-NRFANRHFSA-N 574.273 5.720 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701618 ZRUMFHWZGKHUIA-HHHXNRCGSA-N 530.584 5.936 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702158 OEZAIYSNMCEBSA-GOSISDBHSA-N 518.184 5.317 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705332 SMPOIYZLLGIQBH-AREMUKBSSA-N 525.008 5.975 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706293 SKSSHQIWHBQTQO-OAQYLSRUSA-N 504.333 5.972 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865706752 DVLLAESONIMHQO-HHHXNRCGSA-N 564.086 5.011 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1 1865706870 HMODDUVYVMPCGJ-MUUNZHRXSA-N 510.041 6.138 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866666136 UTOLMQLHIOAMEF-VWLOTQADSA-N 517.010 5.915 50 10 KKGE CC[C@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867028180 WNDSRHYOXSJFCC-SANMLTNESA-N 501.652 6.137 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@H]3c3ccccc3)OCO5)nc(-c3cccnc3)n2)cc1 1868564513 CBZQEXWQZMVAIM-WJOKGBTCSA-N 556.651 6.736 50 10 KKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Br)cc2)cs1 1872746460 IYZSULOEWXDRIO-SDXDJHTJSA-N 502.777 5.444 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2cccc3ccccc23)cs1 1872751737 CWWNOIXXBBNUBH-LCUIJRPUSA-N 503.539 6.302 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1C 1872754403 RBGCUEHJSWXOTQ-UZYVYHOESA-N 518.551 5.213 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 1872755022 VBOLCHYPSLBXMZ-QQTULTPQSA-N 506.584 6.066 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1Cl 1872757807 WWNJORKGVGVYQB-GFMRDNFCSA-N 513.962 6.223 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 1872793646 LGEOOKMMDGANAZ-XDHOZWIPSA-N 513.059 7.513 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2sccc2Br)c1 1899890007 AKJWYFJXDGGBDX-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904343314 HIDNTYWJQLGMBC-LJQANCHMSA-N 549.088 6.229 50 10 KKGE CC[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568161 CGJDYHZHHHWBIH-MUWHJKNJSA-N 517.853 6.907 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 1924585181 IKEIXMHVKNAFGQ-RXMQYKEDSA-N 653.673 8.106 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596655 RINLRGYCIGASAX-QMMMGPOBSA-N 647.644 8.045 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984587566 YGEIUKOHXRUEJY-OKKQSCSOSA-N 509.805 6.670 50 10 KKGE Brc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(Br)c1 1994124752 OPEHYHMEMVNGLK-SFHVURJKSA-N 517.080 7.336 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@]23CCC[C@@H]2C3)c1Br 2010968499 PDUVSGAZVDXFBL-NQYJQULFSA-N 507.911 7.052 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 2085493603 DPTTXGXNYMYKQC-YZGOCOMISA-N 569.755 6.171 50 10 KKGE COCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495694 RXYFQLCIDDETQN-LLVKDONJSA-N 570.739 6.599 50 10 KKGE C[C@H]1Cc2cc([C@H](Cl)c3cc(Br)sc3Br)cc(Br)c2O1 2146615278 DZDZMDSRRYUKCN-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1Br)c1ccccc1 2148682166 MLEIJXNOJPIYPC-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1Br 2192383726 BFYBCEIHXRNIQG-GFCCVEGCSA-N 529.896 6.063 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 2202348290 YTOBKMUQYGTSRD-CQSZACIVSA-N 550.843 6.806 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206398986 BBVWMYTXUBCRNT-NSHDSACASA-N 659.605 8.123 50 10 KKGE CC1(C)CCCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404960 CUIAKEYUAIYKIZ-CLAHSXSESA-N 552.370 8.233 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 2206586049 HJJNERASPHQULU-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2207271878 KXLUPFSNQPGHBJ-INIZCTEOSA-N 508.035 6.836 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2sc(C)c(C)c2Br)c(C)c1Br 2237633367 KORVABIPWHVRBP-AWEZNQCLSA-N 501.509 7.597 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)cc1I 2269543874 NOPFYPAOCOWPJT-CYBMUJFWSA-N 516.036 6.225 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277891740 KLTQBFUACHFSCM-QMMMGPOBSA-N 572.769 8.021 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1ccc(Br)cc1I 2278007441 HEIPWAWSMVGBKC-CYBMUJFWSA-N 548.490 7.421 50 10 KKGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cccc(OC)c1OCc1cccc(C(F)(F)F)c1 2295669958 QYASARMYWDXECV-UHFFFAOYSA-N 516.497 5.687 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Br)cc2)cc1 2297458632 NSQYQGBAHIFWQK-QHCPKHFHSA-N 587.326 7.129 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2C)cc1 2297486632 RUDCOJLKVORINM-UHFFFAOYSA-N 524.602 5.366 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 2297491174 NUQQMVWXELVPDP-UHFFFAOYSA-N 516.312 6.174 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)cc1 2313518845 WJXVGWDPAHLZJR-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570668 CMLFUALOBBLEQD-UHFFFAOYSA-N 649.981 8.950 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313570983 KTHZGKKKBFHKHY-UHFFFAOYSA-N 638.245 7.030 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@H](C)C2 2314571114 BHTSKLAKFWAGHU-AWEZNQCLSA-N 529.445 7.162 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 2331445075 CCMNTCWVCJANPB-UHFFFAOYSA-N 514.650 8.341 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 2331450469 MRSXVPZAODOIIU-UHFFFAOYSA-N 515.429 6.451 50 10 KKGE CCC[C@@H](CC)OC(=O)N/N=C/c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 2357019040 REKMPAAKHLVULD-LHSWOKOCSA-N 627.746 5.819 50 10 KKGE FC(F)(F)c1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361179320 VGQNATOWURNJPT-FQEVSTJZSA-N 500.152 7.531 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2365595506 KVJABFSMUPPJMM-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1OC 6060099 DFNVBGVDCKLUEB-DTQAZKPQSA-N 525.637 5.061 50 10 KKGE CSc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491305 UVZQWGOGFSIHSU-FOKLQQMPSA-N 508.235 5.616 50 10 KKGE O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(NC(=O)c2ccccc2F)cc1 20494734 SRGDKMIWRFILEE-KBVAKVRCSA-N 501.945 6.074 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(F)cc1 33554754 ZAYFJNKTRXPBCF-WQRHYEAKSA-N 518.894 7.021 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3)nc12 33763114 OWYJTUNGMROLIZ-MOSHPQCFSA-N 512.374 5.440 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)cc1 35446169 PWWSBJJNPCTRQQ-DIBXZPPDSA-N 516.645 6.783 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCC)cc1 38681581 XKDVLSARPBPVBZ-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38686196 XKXHHTUBEVPATG-IIMAJNMQSA-N 526.633 6.409 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 59500449 JQYJPXGZAIULNI-ZRGSRPPYSA-N 506.183 6.047 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101334998 HOBOKZDBGDDBCE-WGOQTCKBSA-N 549.030 6.384 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374295 UOUNDJDMKJQTFZ-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 101377727 AZDMBRDPCRFPQS-HKBQPEDESA-N 542.632 6.247 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101385504 OQGOBGVCSTYFRU-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386412 NNERLSFAAJQUED-XSJBNIOMSA-N 625.121 7.642 50 10 KKGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1 102420184 JTQDPRGQWQMAGC-KAMYIIQDSA-N 500.374 5.353 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 102664472 AKEPCLXDIFWKEB-ATVHPVEESA-N 567.450 7.713 50 10 KKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665931 YWHIKYMVAUFSQK-UDXHRHDRSA-N 538.854 6.167 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 102666192 OFIALDMDUKNJGY-SJUMRLIPSA-N 546.048 5.890 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1 103806541 IBGRCOUHQJCEJV-ZCTHSVRISA-N 589.743 7.727 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 103884344 IAWDDTZIXVPMBH-XIEYBQDHSA-N 532.471 6.557 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 104954112 VWHWHVOLJDMLGB-SXGWCWSVSA-N 515.227 7.849 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc(Br)c1 105426481 UAGPINBAZCXRJY-QXUDOOCXSA-N 578.466 7.198 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 150390739 KFNBIBNGBFYNQZ-UHFFFAOYSA-N 662.747 5.144 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1 164620034 YZPQLACGJMUNCY-FDALDRLYSA-N 734.432 8.561 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214378388 KNEBHRASYYBDJG-GXBUFBABSA-N 608.673 7.358 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1 234970776 ZAQFTURHACJNDU-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254405354 MIEACXLAOROUHK-UHFFFAOYSA-N 562.626 5.210 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1OC(C)=O 254869447 JAFWIPBFQMCHEV-UHFFFAOYSA-N 557.676 5.408 50 10 KKGE Fc1ccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(I)c1 312459312 ALEHUJBDEPEGIN-SECBINFHSA-N 543.943 6.757 50 10 KKGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(I)ccc2Br)C1 395355437 UUPFGASVNACKDS-SNVBAGLBSA-N 515.027 5.079 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C 575232463 SPHUIJWPZSWHEE-XFGZXHAFSA-N 510.923 10.671 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589218 QKWKXYVKGFKODW-BSDFCTBSSA-N 902.115 9.177 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2csc(I)c2)s1 688077695 AELYVPUOZLRLJE-JTQLQIEISA-N 508.038 5.807 50 10 KKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 721573911 UCMPPKJWWXZHRI-ZUZCIYMTSA-N 515.027 5.127 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc2ccccc2c1 1083943333 ZMZMIWZOKRCTKF-UHFFFAOYSA-N 526.039 8.382 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 1083969906 HRUPRWRWZLOXRS-PLRJNAJWSA-N 534.446 8.664 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Br)c2C)c1 1084057065 OZANYINGWMNQBG-UHFFFAOYSA-N 549.332 6.311 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1084065369 IIZSLVSZVHZFPG-UHFFFAOYSA-N 500.382 5.368 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084160641 BBJCUXSQDOMNDQ-PMACEKPBSA-N 586.655 5.194 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1084307948 ZLSMGKLLZGEQFG-UHFFFAOYSA-N 574.391 6.462 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc(C)c3)cc2Br)cc1 1084337961 CFIUKJQKPQFXFV-SANMLTNESA-N 569.496 6.098 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1OCc1ccccc1 1084424331 YZSYHFPIFRQCSR-UHFFFAOYSA-N 575.662 5.457 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)ccc1OCc1ccc(Cl)cc1 1084485430 VWXCYXJWCYOMAM-UHFFFAOYSA-N 541.044 6.278 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(OC(F)(F)F)c2)C1 1614689732 FCLXEBXGQVHNDY-AEFFLSMTSA-N 505.274 5.372 50 10 KKGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 1772752452 OEUWSYVJUKTLMI-UHFFFAOYSA-N 526.818 5.165 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 1772752715 HTEDDOVWBBLQSA-GOSISDBHSA-N 521.639 5.793 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680290 GHKKMTRJTGHSKK-QFIPXVFZSA-N 521.360 5.484 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865688532 UNABTMVGNZIIJZ-HHHXNRCGSA-N 512.997 5.682 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865695259 ATVVKOCUOGKIAG-MHZLTWQESA-N 537.620 5.739 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 1865697406 RRHFYKTUXXSHIT-NRFANRHFSA-N 564.267 6.264 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCCCc1ccccc1 1865697653 YTUHTJRSVDLGQR-WJOKGBTCSA-N 554.650 6.778 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697949 GQVCAXMEMDERRU-OAQYLSRUSA-N 509.404 5.211 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704120 NTESOCZFMRCQMJ-HKBQPEDESA-N 579.075 7.627 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709031 LYACJGGWMYWYKC-QFIPXVFZSA-N 517.372 5.851 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711662 FAJAXYMCDFHNGB-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714365 IHBYSXJIYYGFKD-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866602221 HJZCYLWAVXIRQL-VWLOTQADSA-N 519.646 5.400 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866966082 SDYGPCOWIHVOOR-KYJUHHDHSA-N 557.716 6.414 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867060562 BKNFLTABFSEARW-LJAQVGFWSA-N 532.625 6.093 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)CC2 1868365497 QOHJVMBBFIGOJQ-PMERELPUSA-N 537.689 7.237 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H](c2ccc(F)cc2)O1 1868544491 HAMBYAWEWXWLLC-LYZGTLIUSA-N 553.707 7.863 50 10 KKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(C)c1Cl 1872746511 LKIKQUAEZNXXHQ-VZCXRCSSSA-N 503.849 7.495 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)CC2=O)cc1 1872757381 CQERDOFOHUSJTP-LDIFMVGESA-N 508.043 6.660 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 1873499235 LBFZZDRODOOCJW-JHUOEDMDSA-N 516.038 5.415 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)n1 1873921043 RCTBPKZMZJRZPI-VYIQYICTSA-N 521.598 6.494 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2(Br)CCC2)c1Br 1960907473 WFYZVBIDTUYGSD-ZCFIWIBFSA-N 546.742 6.789 50 10 KKGE CO[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780170 PNRXNJASZWUNPT-QTLDAMRXSA-N 556.712 6.208 50 10 KKGE O[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2025783809 QLTFXAXJRLCISN-ZROIKLNDSA-N 512.261 5.787 50 10 KKGE N#CC(C(=O)COC(=O)C=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)=C1Nc2ccccc2N1 2042439776 AXYKLFKFFSJMOK-UHFFFAOYSA-N 527.540 5.684 50 10 KKGE C[C@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(Oc5ccc(F)cc5)c([N+](=O)[O-])c4)nc(O)c23)C1 2053574564 JMYRAUDIELEYPQ-AWEZNQCLSA-N 502.527 6.425 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc(Br)cc1Br 2083331772 CMHLDGXUIHBQCC-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cc(I)sn2)c1Br 2085495481 QPQPZZHQFWJHQD-JTQLQIEISA-N 695.632 7.282 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 2097834908 OONSXMTUZPYVNJ-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Fc1c(Cl)cccc1C[C@@H](Br)c1ccc(Br)cc1I 2142283917 WFTBUEYQOGKYKE-LLVKDONJSA-N 518.389 6.525 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2202349698 AKCAJASQEIFIGG-CQSZACIVSA-N 503.843 7.011 50 10 KKGE COc1cc(F)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2202914959 ZBYFJSFVIANEPB-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2202993847 YVTOMYVISKLYMG-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2206566196 IUBSOMFLOUCQQT-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Clc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)ccc1I 2238083407 XYDZHOAMHCZVNC-CQSZACIVSA-N 528.409 6.126 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2279058185 MWTHPSUHNUMRBN-CQSZACIVSA-N 506.392 6.697 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(Br)c1Cl 2283560294 CJGOUDQJLBMLGY-GFCCVEGCSA-N 595.294 6.963 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1C 2288346123 VZPWJAHIEKFDHF-LLVKDONJSA-N 553.886 7.415 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1Cl 2288348987 KPJZBZCFZXZBDY-JTQLQIEISA-N 509.797 7.281 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC(Br)=Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2293161005 JVJDZSNLSLCVPH-UHFFFAOYSA-N 566.912 6.526 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN=CC(Cl)=Cc1ccccc1 2293273342 MQZZLUDEONTVEL-UHFFFAOYSA-N 514.482 6.578 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OS(=O)(=O)c1ccc(C)cc1 2295187783 OEKUYGZCNBHQOP-UHFFFAOYSA-N 516.497 5.336 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295342802 PPRBPGYLSPKSFO-LBPRGKRZSA-N 505.834 7.289 50 10 KKGE N#CC(=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295459588 BKGZEAQTTBCIJG-UHFFFAOYSA-N 520.894 7.277 50 10 KKGE COc1cc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(OC)cc1Cl 2295948583 PARYWDSEMCOFEU-RUZDIDTESA-N 674.606 7.904 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296507163 WLORXAMFVBWXFX-QHCPKHFHSA-N 542.875 7.020 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 2296515127 RADDBQUUHZDEPW-UHFFFAOYSA-N 641.522 5.664 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)C(=CC(C)=Cc1ccccc1)NC(=O)c1ccccc1 2297455782 WEQOPTQUXTVPIT-UHFFFAOYSA-N 503.602 6.106 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(Br)ccc1OCc1ccccc1 2299534018 YZNXXUMPRGAKMM-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521441 OJPVBIVUIFXQMC-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313546000 VCMNXOHUTYYFSD-UHFFFAOYSA-N 601.328 6.599 50 10 KKGE Cc1c(Br)c(C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 2313556188 QBNFSXXRAPPUPL-UHFFFAOYSA-N 533.651 6.818 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571515 YCGDAQCXDXUHFX-UHFFFAOYSA-N 536.198 7.154 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1 2313864648 XXCIDVRSXBCGGN-UHFFFAOYSA-N 535.069 5.239 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314450246 XNUNGQATODQZRH-HXUWFJFHSA-N 531.590 7.100 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593340 LJEKPLOOTBCMIU-XMMPIXPASA-N 574.024 6.818 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)c1C 2316833960 JEZOXSHHSMBACK-ZETCQYMHSA-N 521.898 5.870 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ccccc2)cc1OC 2331281215 UUWKDDGMEBBCKX-UHFFFAOYSA-N 511.559 6.769 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc6c(c5)OCO6)cs4)cc3C2=O)c(C)c1 2331334031 ZUICYPNDHGAXMK-UHFFFAOYSA-N 521.554 5.906 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)c1 2331470125 KQHOYYYSZDIDQD-UHFFFAOYSA-N 512.631 7.259 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c1OCc1cccc(C)c1 2331488884 FEJSXTSXGLMRFU-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE C[C@H]1CCC[C@@](CI)(OCc2cc(I)ccc2Cl)C1 2352253629 MSUGLRAGXDVOOO-XHDPSFHLSA-N 504.577 5.845 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c1Br 2362220634 NHCWICMVUJNWPG-NSHDSACASA-N 570.703 7.904 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccccc2I)c1 2381253436 IEYBDZNBANCTDC-HNNXBMFYSA-N 510.007 6.109 50 10 KKGE COc1ccc(OC)c(-n2c(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)nc3ccccc3c2=O)c1 3222470 WBYYWTSVCGXTBC-XIEYBQDHSA-N 528.615 5.017 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)cc2)cc1 33385854 GYXKCGLLEIRSJA-OOAXWGSJSA-N 521.624 7.378 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678747 ABXPSVZZACCVHC-PSLXWICFSA-N 509.331 5.179 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678898 FFBDHEWQBOBJNL-SANMLTNESA-N 519.395 5.775 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 38679265 SONLNSIXZBPJCT-SOKVYYICSA-N 518.541 5.214 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684808 SABMAWGVIGILMV-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822721 WDAADPMTCVGLPJ-MUGXBBEHSA-N 503.602 5.924 50 10 KKGE CC(C)COc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100149565 HQOPIKKRFIIGQC-UHFFFAOYSA-N 550.247 5.240 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1CSc1nc2ccccc2o1 100185274 RUJMSUVPNIQXIC-MZFJOGFUSA-N 550.640 6.074 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100193683 KWAOZXSLWVRURY-UHFFFAOYSA-N 526.865 5.055 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100210299 SKKJQHDOPHWUBK-UHFFFAOYSA-N 532.262 5.439 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335691 VASBYXXRNVONQO-RQZCQDPDSA-N 589.773 5.986 50 10 KKGE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 101035517 CNCQTLFRXLARRG-UYRXBGFRSA-N 567.158 5.617 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193644 RKWQGWUTRLUSLA-VIZOYTHASA-N 535.831 7.731 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243925 UOKUBEXIVLKJGO-FFPXFJIJSA-N 532.065 6.042 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244407 LBILTVIGXUCARR-OGCOBRASSA-N 522.457 6.621 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101368196 MMOZQAGQQSMIQX-PMERELPUSA-N 540.660 6.855 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101372424 AQFRXAHOBBVAJY-PGUFJCEWSA-N 588.704 7.610 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101375505 ZEFZJFCYKHKCLE-YTTGMZPUSA-N 605.131 7.517 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101387312 AJKCXBMRFKYIAQ-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390020 CRWIJYYEDXRBFA-QHCPKHFHSA-N 535.452 7.769 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)oc2cc(Br)ccc12 101391857 PWXDVAAWKKUFTO-QHCPKHFHSA-N 546.333 5.849 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101395421 ZOVDZMVARKVSKE-WJOKGBTCSA-N 566.654 7.373 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 101397343 XJPJAJPYUQJXCJ-PMERELPUSA-N 536.628 7.310 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405839 UIADCKSTNXOYLI-MODQRLIRSA-N 595.080 5.109 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Br)c1 101726983 ZVXWAEDXPFFAIQ-CCVNUDIWSA-N 568.518 6.403 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 101796130 AHROFMHZEIAQDC-HZHRSRAPSA-N 563.448 5.932 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl 102006746 UDLVCRDPWJBNHG-KKMKTNMSSA-N 529.405 5.340 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)c1 102924101 JUKNSAFOTYHMEJ-CIAFOILYSA-N 517.006 6.807 50 10 KKGE O[C@@H](CCl)CN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103750017 BLBRFKNWQOPVDU-CVTQAYBASA-N 541.558 5.001 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105053464 STMSSZIAIZNVEN-KPGMTVGESA-N 553.829 7.209 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 105626920 NKLAPJVOZMJBNM-MBTHVWNTSA-N 567.396 5.325 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 150430869 RQWHGCNEMJNUTN-XSKYCKKESA-N 729.309 5.746 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 150441768 TVHRJYSEQKZAGW-MGBGTMOVSA-N 645.539 7.791 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)cc1 150455203 QHUVWDSGQLHRDN-OSYJHYBZSA-N 699.583 5.236 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 150497572 MYSWVSDRNMQWME-ZCTHSVRISA-N 645.546 8.218 50 10 KKGE Cc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 164586010 BXHHWYNIIBXGOQ-KNBZMSCYSA-N 634.712 6.048 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C1=O 214243033 FHXWMMMQQNIFIW-ANYBSYGZSA-N 536.676 6.891 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC 252624257 PKHATXPBMVURRV-UHFFFAOYSA-N 582.000 5.278 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 253614641 YQFZNYCPHIXROS-RGTPYUJZSA-N 919.761 9.476 50 10 KKGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1F 254569960 ZQVNSDTYNNMMMG-UHFFFAOYSA-N 515.610 5.371 50 10 KKGE COc1ccc2cc(C(C)=NNC(=O)c3cccc(NN=C(C)c4ccc5cc(OC)ccc5c4)c3)ccc2c1 254572704 RKQAVWBRPUQXTM-UHFFFAOYSA-N 530.628 7.000 50 10 KKGE Cc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc1 254620608 UVXUPXSKNOESSY-HXUWFJFHSA-N 610.525 5.732 50 10 KKGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254814853 WLDWFTSYSIYVMS-UHFFFAOYSA-N 536.495 5.840 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 256018196 IGJDJNSZSVQXGS-OVSOGFKUSA-N 560.441 8.033 50 10 KKGE CCOc1ccc([C@H](Br)c2sccc2I)c(Br)c1 311119890 XGPVOHLRMUJZGG-LBPRGKRZSA-N 502.009 5.998 50 10 KKGE CCC1(CC)[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 311432336 RNZTZRCYAXXLTI-RYUDHWBXSA-N 524.995 6.114 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Cl)ccc2Br)c1Br 383666481 SADNWDZZVBXKJJ-SECBINFHSA-N 513.398 7.430 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616593280 BQOMJQLPYKJIKJ-MHZLTWQESA-N 510.795 7.270 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1083888928 APCZDZQEIYBEMC-GDLZYMKVSA-N 550.486 6.944 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084022925 PIFVFVQKUVEZTC-VWLOTQADSA-N 555.469 5.789 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(N(C)C)c(Br)c2)cc1 1084038163 LVONRTPFHIUSHG-UHFFFAOYSA-N 501.428 6.045 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084279216 QFLLWXDGZLFAOA-MHWRWJLKSA-N 536.640 7.534 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1 1084301839 RWNJTJNBNNGTKK-UHFFFAOYSA-N 604.476 6.511 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 1084470079 GQKSABUPJDSNQG-UHFFFAOYSA-N 613.965 5.851 50 10 KKGE CCCCCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1565517670 IBLKCEBBPZVZBE-AWEZNQCLSA-N 528.241 5.404 50 10 KKGE CC(=O)NC[C@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 1614465077 KGBSGBJFEOXATN-MDSQTPLDSA-N 623.616 6.746 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695394 OBXWNPHKQUGLEQ-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696192 YBYDACQEDOCLJF-LJAQVGFWSA-N 520.633 5.998 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865701394 URNCOMPWOWFAAO-RUZDIDTESA-N 528.996 5.555 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701524 XLOMBUWJPXYPAD-AREMUKBSSA-N 565.888 7.582 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865703272 SALJWMKLVWXUOM-GOSISDBHSA-N 509.315 6.205 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865706510 YGMRWDMAERNBFX-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706670 CDDMLCUCAVLLGY-MUUNZHRXSA-N 505.622 5.688 50 10 KKGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866619639 KCJRDUXBKIKMOB-MHZLTWQESA-N 586.739 5.572 50 10 KKGE CCCC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866974517 RKHQAOPKAOCCNJ-FCHUYYIVSA-N 502.478 6.076 50 10 KKGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)[nH]o1 1868432922 BBRFRWYBVGHHPY-NRFANRHFSA-N 532.029 5.440 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)n2)cc1 1868565085 HHPMQADNUGTBQF-QHCPKHFHSA-N 518.568 7.216 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745145 XEYVNSNYTIWZKE-YDNWMEBPSA-N 505.426 8.202 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1OC 1872753478 ZCYGNWROCYBTGF-MTHFJXNLSA-N 514.607 5.192 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)c(Br)c1 1872758101 LDMCFTVANCTMPA-VKAVYKQESA-N 509.878 7.502 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924596498 PLLBMQKSBCFWCH-MRVPVSSYSA-N 647.644 8.045 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc(Br)c1Cl 1925585440 ONTRIVNLMVCSRB-SSDOTTSWSA-N 514.291 7.718 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2CCC2)c1Br 2025779968 NLQWDCOPYSJNMC-ZETCQYMHSA-N 554.740 7.363 50 10 KKGE CC(C)C(C)(C)[Si](C)(C)O[C@@H]1O[C@H](COCc2ccccc2)[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 2081160892 PMLBKTQVKBWXEV-YODGASFJSA-N 592.849 7.118 50 10 KKGE BrCc1cc(Br)c(OCc2c(Br)cccc2Br)c(Br)c1 2150490931 ZKBSVKZVSMFZMP-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2cc(Cl)c(Br)s2)c1 2172411573 FNGURIRHVUPXGF-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1 2179955539 BRJSDLBEGZDZMZ-OAHLLOKOSA-N 529.319 6.358 50 10 KKGE CN(CC[C@H](Br)c1ccccc1)c1ncc(I)cc1Br 2189900747 MOHQEJVLYWWXGQ-ZDUSSCGKSA-N 510.011 5.411 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 2202347649 VXANJNGEWDJTTR-CQSZACIVSA-N 506.392 6.697 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1C(F)(F)F 2206394113 DXCIDFQASNJJBS-FZYJTZEISA-N 608.710 7.761 50 10 KKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2207273907 XTFOKHCWXDUEGX-NSHDSACASA-N 515.027 5.079 50 10 KKGE C[P@]1(=O)C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199724 FUPIIHVOVSFJNB-KULBSPAWSA-N 515.827 5.889 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1csc(I)c1 2213494148 ZFKBRCRTEROEKJ-LLVKDONJSA-N 510.391 6.345 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(I)sn2)s1 2217983107 JAZOYBHQLSEYHW-JTQLQIEISA-N 523.053 5.593 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1Cl 2224304424 JFVUTUMROJGRPP-MRVPVSSYSA-N 548.736 8.371 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1I 2256335234 GIPJYAVIORVQIA-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE Clc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)cc1I 2278088886 LGLBHBGRISCRMU-ZDUSSCGKSA-N 504.039 7.312 50 10 KKGE COc1ccc2nc(C(C#N)=Cc3cc(OC)c(OCC(=O)Nc4ccc(F)cc4)cc3Br)[nH]c2c1 2294284743 QAIIQWUWVGLXJG-UHFFFAOYSA-N 551.372 5.563 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)cc1 2297551455 LISALTATTZSBCI-UHFFFAOYSA-N 511.412 5.387 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521584 XXUKLLFUSSTEEX-UHFFFAOYSA-N 536.382 6.107 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(F)cc1 2313567572 MAHJJQXEIDUMGE-UHFFFAOYSA-N 525.624 5.788 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 2314490558 YYRLODOVNCAUGC-UHFFFAOYSA-N 621.494 6.226 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610170 DIDIWOZFBKJYNR-FQEVSTJZSA-N 510.663 6.432 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314616543 DEDOEXSJBYXORY-UHFFFAOYSA-N 589.095 7.307 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(C)=C(C#N)C2=O)cc1OC 2314617244 ULCDVBWEPRAZFC-UHFFFAOYSA-N 547.405 5.561 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314617311 VTRCOGYLYVPJEX-UHFFFAOYSA-N 554.650 6.248 50 10 KKGE CCOc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2314749023 YPYNVVMGELEPQE-UHFFFAOYSA-N 538.825 7.193 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2316834892 VSTOLDIMXKPZPL-QMMMGPOBSA-N 521.898 5.816 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 2331343016 NHLMTDRRTQWPHQ-UHFFFAOYSA-N 508.397 5.785 50 10 KKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337097915 OARHTVBBVUDVHD-SECBINFHSA-N 512.851 6.860 50 10 KKGE CCC1CCC(CBr)(OCc2cc(I)ccc2Br)CC1 2367602717 VFHLDZIFDOUBQJ-UHFFFAOYSA-N 516.055 6.304 50 10 KKGE C/C(C[C@@H]1C[C@H](CC#N)C1(C)C)=N/NC(=O)CN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 8398638 KBXRZCKYAOFMGW-DXXBBOKTSA-N 573.698 5.415 50 10 KKGE CCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 38608648 ICBIOWQFVSZBQT-XIEYBQDHSA-N 502.611 5.498 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 38650904 DQZNAOAKSPQYFH-LJAQVGFWSA-N 504.542 5.712 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc(C)c1Cl 38653976 FGZRFHZXYYNCNO-DEOSSOPVSA-N 505.914 5.068 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655858 FSNDOGHTIXONLN-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684607 BZYPSQDKPLNEEL-WRONEBCDSA-N 510.590 5.966 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)c1 40530066 AZQHDTZEHCPHCN-PMERELPUSA-N 512.606 6.075 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 40870015 CQMHOAQOLHFDLK-WOQXGXMJSA-N 507.373 5.844 50 10 KKGE CN(C)[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)c1cccc(P(c2ccccc2)c2ccccc2)c1 100167685 AEPYARMANOGFES-LHEWISCISA-N 566.645 6.913 50 10 KKGE CCN(CC)c1ccc2c(c1)OC(=O)/C(=C\Nc1ccc(CC(=O)NNc3c4c(nc5ccccc35)CCCC4)cc1)C2=O 100190232 CYZIIGRHLSZNAV-HFTWOUSFSA-N 589.696 5.743 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1 100451804 LDTODDXTZKBNGY-CHVMBPBASA-N 593.259 5.597 50 10 KKGE c1ccc2c(c1)S[C@@H](c1nc3ccccc3s1)N2SSN1c2ccccc2S[C@@H]1c1nc2ccccc2s1 100618780 HRDIFRABTALIKP-HNRBIFIRSA-N 602.882 10.039 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(C(C)(C)C)cc3)nc12 101115324 VZJOEBFWSWCQPM-CYVLTUHYSA-N 546.549 6.657 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C1=O 101333569 WBPYBZNOHHYZNU-XHLNEMQHSA-N 552.744 7.604 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 101339440 ZIKLBKZHNRDQTJ-OGLMXYFKSA-N 528.612 5.957 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 101340185 DLFVWDCKONRGKB-VUTHCHCSSA-N 590.655 6.311 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341603 MPFQQMLQOYJKMW-OVVQPSECSA-N 600.647 5.029 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379100 QNOHMTNYXCYYCY-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379798 MPALBNOKQAHLMM-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387686 CYABVYIYJFXRDH-MGBGTMOVSA-N 580.612 6.314 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389128 GNFAJSANYXNART-DHUJRADRSA-N 608.666 7.129 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(F)cc1 101389738 XHXXJZMFJZZTGN-PMERELPUSA-N 581.556 6.149 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610297 NMHMPGKMYSWPOR-GZZLJNBRSA-N 547.438 7.103 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)c1 101613140 AAVQJIFRSUPLIL-GZZLJNBRSA-N 544.007 6.765 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(=O)OCCOC)c1C 102549029 IHCGKJWOHNBMIO-GHRIWEEISA-N 557.650 5.154 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)cc1 103741791 YRTZIVDAMADWIA-FNBPXTNNSA-N 522.424 5.093 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1Br 128274309 CXJZHSFHWSSLSE-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 150419200 OPJLRIVGXPYHEO-VUMGZPTDSA-N 669.159 5.517 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205655135 MVWDVSBGPOYCDR-CDHZXLRLSA-N 580.725 7.789 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(=C\c1ccccc1)c1ccccc1 206686848 JDYAQSZXCXSDSN-FNXMLATNSA-N 518.569 6.048 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214332679 LUNFCANRPYCXQH-YQUKCCFRSA-N 559.582 5.810 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 233778737 NZJGEHGCXAPGPU-GFCCVEGCSA-N 533.905 6.919 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 234795748 HRVVCUOWXNYJIT-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 236225504 AVYUZAAHQJRLQH-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 254316721 KYKTVVQBLDXLSA-FFPPLRJCSA-N 534.741 8.245 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(Br)cc3)c2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 254449951 BEXJTHPJOQKMIV-IZZNHLLZSA-N 655.018 6.815 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 254702118 BBCRYVTYFZTJHB-UHFFFAOYSA-N 500.982 6.124 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnc2-c2ccccc2)cc1 254741617 CUESCCCMVMWRCJ-UHFFFAOYSA-N 511.529 5.204 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Cl)cc1Cl 256028480 PCFREPNQJCDZIX-UHFFFAOYSA-N 559.500 6.342 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 256281180 BLLAWDFADRSHFN-YMVMTBCISA-N 591.664 6.972 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2sccc2I)s1 688078328 FYBLJIYNTWDKOK-VIFPVBQESA-N 508.038 5.807 50 10 KKGE COc1ccc(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 721617764 XYGLWQAOYPLVNV-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 725387847 WDJLBRXHMMQFDO-UHFFFAOYSA-N 611.429 5.915 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1082754831 NBJRFADZXIXCDP-JELKZEKKSA-N 672.642 5.353 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082988582 WDMBZAFGOCGMRW-YRCJTPGCSA-N 602.239 5.050 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 1083877689 ATAYRFVQWQELOR-MHZLTWQESA-N 561.476 6.544 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=Cc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 1083897182 FAYWBJLFPJTDJH-UHFFFAOYSA-N 736.876 5.147 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1083923385 OQHIJELGDPRXOM-UHFFFAOYSA-N 610.202 5.313 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 1084036567 AGTAITSJKHSKHJ-UHFFFAOYSA-N 523.010 6.010 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084291126 OJPNRFIEJYUVEG-UHFFFAOYSA-N 587.698 5.245 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084350416 FNKRCRNCOGKYIG-YBFXNURJSA-N 586.700 8.687 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084413587 YKTURZBHIHYNJA-UHFFFAOYSA-N 574.806 5.467 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 1084576190 MRPFPFMIPOXFHA-VGOFMYFVSA-N 545.602 5.281 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 1772749223 YJEOVDIQUNFUJL-UHFFFAOYSA-N 523.973 6.271 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749719 YGMJKSZPKSVUNN-UHFFFAOYSA-N 546.454 7.136 50 10 KKGE CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440212 KTGXNPIVEQITPJ-SKVCZSCRSA-N 701.030 7.561 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687275 NKGGOSLAQGTRNQ-LJAQVGFWSA-N 520.633 5.916 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccccc1 1865692874 GKOQZRXPTUYHLW-LJAQVGFWSA-N 541.611 6.130 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCCCc1ccccc1 1865696310 DGQDZAWCQWMPNL-HHHXNRCGSA-N 574.603 6.497 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697376 QVKBHQWOQOZWJV-GDLZYMKVSA-N 555.078 6.717 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702583 XHWOTJYHMIFOGF-LJQANCHMSA-N 508.178 5.666 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 1865703572 BOUNKNWXSRNSNT-GDLZYMKVSA-N 575.496 6.969 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706081 NEEXPNAATOAIBP-XMMPIXPASA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711396 XLJKZJRLUIWRJV-HSZRJFAPSA-N 513.395 5.837 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H]1C 1868207031 DHULSRUQXHDLQT-FGZHOGPDSA-N 502.688 5.320 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c(C)c1 1872748869 QNDJEPXJXHRPBO-RFBIWTDZSA-N 505.599 6.216 50 10 KKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749556 WXCOCINQSBWEHB-LGMDPLHJSA-N 509.258 8.104 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1OC 1872781370 BLAGEDHXCKZKEL-CIAFOILYSA-N 519.022 7.132 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1csnc1Br 1899875267 VMDCHOVYGGKPJB-INIZCTEOSA-N 518.068 6.731 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915123907 BPWDVJRVJOODIF-ZDUSSCGKSA-N 504.060 6.028 50 10 KKGE O=C(c1scc(Br)c1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915263048 DZUAKNCEFJRFAU-CQSZACIVSA-N 522.100 6.089 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 1915295057 GFRMFMJZLVHIRC-KRWDZBQOSA-N 509.691 5.713 50 10 KKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924604384 AWMOXPXPOOYCKK-QMMMGPOBSA-N 537.868 6.668 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(I)ccc1Br 1925585820 ROSCSMPNJVNWMP-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE Brc1sc([C@@H](Br)c2cc(I)sn2)cc1C1CC1 2007648781 ZPSIAOLJVNHLGK-JTQLQIEISA-N 505.038 5.933 50 10 KKGE Clc1nc(Cl)n(-c2cc(Br)c(Br)c(Br)c2)c1CBr 2055066686 NYZPWGNHWNHYNN-UHFFFAOYSA-N 542.678 6.362 50 10 KKGE Oc1ccc2ccccc2c1-c1c(P(c2ccc3ccccc3c2)c2ccc3ccccc3c2)ccc2ccccc12 2060322644 XMRVIHFGIUVWJV-UHFFFAOYSA-N 554.629 9.430 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468582 LJULGLYQBMLAMY-JISPFJSISA-N 550.232 7.215 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141469167 SEOXFAVLOLOCTA-SNVBAGLBSA-N 593.187 8.433 50 10 KKGE ClCCc1nc2ccc(Cl)c(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2159734145 MEJBLXCHFFIMFT-UHFFFAOYSA-N 514.884 6.596 50 10 KKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(I)ccc1Br 2179634928 AJBRRTUYSCKIQR-ZWNOBZJWSA-N 515.027 5.127 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206405484 LCJFXTHQOSYPMH-CYBMUJFWSA-N 554.248 7.343 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 2214321523 AITRVSMUAAUDPZ-CHKWXVPMSA-N 511.899 6.429 50 10 KKGE Cc1sc([C@H](Br)c2sc(Br)cc2Br)c(Br)c1C 2215947535 RLGXGYJZCKPMMW-SECBINFHSA-N 523.935 7.198 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 2240994600 AGNTUPSJVCAREI-OAHLLOKOSA-N 554.991 5.623 50 10 KKGE Brc1cocc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2244217326 PNFMNVWOWRUVEF-ZCFIWIBFSA-N 558.709 6.875 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1I 2285951596 ZPOXXRCGNDZTOK-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN=CC(Br)=Cc1ccccc1 2293713068 UXHAYTRBHLUSIH-UHFFFAOYSA-N 539.933 6.114 50 10 KKGE N#CC(=CNc1ccc2ncccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295934440 XYGLLDGLFYBVMK-UHFFFAOYSA-N 501.365 6.204 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1ccccc1 2296706050 QVLFPCKWMMIUQD-DEOSSOPVSA-N 542.614 7.042 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458636 OHXIRQRKXZMVKX-HSZRJFAPSA-N 563.433 5.731 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2301043546 FKPUZJBUBIHGSO-LURJTMIESA-N 528.289 5.860 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl 2313521306 FFQZDPDCNLIRED-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl 2313521416 MKYSUXJULJSHGD-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570738 FFEASNSHAMSMHG-UHFFFAOYSA-N 725.151 8.480 50 10 KKGE Clc1ccc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314504013 YHHZRXUSWLMEEI-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592310 QMADYMPVTHJQFD-VWLOTQADSA-N 562.489 6.221 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314617040 PPIXAHFLLAGPRE-JOCHJYFZSA-N 540.623 5.964 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634409 OXZIUXMVTKBYDF-RUZDIDTESA-N 537.797 5.948 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 2314738099 IEUFFHDMIYWSKN-UHFFFAOYSA-N 544.604 5.708 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OCC)cc1OCC 2314808110 XMBMNEQRZYOPBV-UHFFFAOYSA-N 509.599 5.671 50 10 KKGE N#CC(C(=O)CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)=C1Nc2ccccc2S1 2318370972 MCJBUMIIILUCRX-UHFFFAOYSA-N 528.684 6.557 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1OC 2320487649 LZPDYKCUCBCQLE-UHFFFAOYSA-N 584.723 6.072 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(I)ccc2Cl)CC1 2327241374 BGQWSVWYYAWRQY-UHFFFAOYSA-N 591.655 5.666 50 10 KKGE FC(F)(F)[C@H]1C[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2377313718 DMKSMIWKXXQWEE-BXKDBHETSA-N 526.960 5.344 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cccc(I)c1 2380943633 ZGYULYAPPISFRF-QGZVFWFLSA-N 508.035 6.970 50 10 KKGE N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3Cl)cc2[C@H]1c1cccc(I)c1 3657103 UCCPRCPWWNDJIU-FBXLXJJESA-N 527.749 5.619 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1 19928844 QIKDIBVVUGNPOE-LGUFXXKBSA-N 505.622 6.117 50 10 KKGE O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 33355199 XXWKRFBDONASED-UHFFFAOYSA-N 550.800 5.158 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(Br)c2)/C(=C/c2cccc(Br)c2)C1 33653125 KCXUAJINCYCVHB-ZXSWEOGUSA-N 513.233 5.302 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 38700623 FQYSWQWJKNYBRL-KRGKPIPQSA-N 516.638 6.380 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701254 VLZXBMNGHCTPKS-MUUNZHRXSA-N 508.574 6.666 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc2ccccc12 59305191 WFGPDTRNPGWBPJ-FMFFXOCNSA-N 504.586 7.056 50 10 KKGE CCN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCSS(C)(=O)=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 94303211 IBVPJEWQHNJSGP-UHFFFAOYSA-O 795.060 5.740 50 10 KKGE in-vitro CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100181072 HDTICPSMJUHTBO-UHFFFAOYSA-N 580.523 6.499 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)C1=O 101333462 ABLSNOYNCPANPD-KOEQRZSOSA-N 524.621 5.729 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 101333515 XLJBLNOYRZEXMP-LFVJCYFKSA-N 512.585 5.860 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Br 101334630 JZOZGXDIKASJGM-WSDLNYQXSA-N 545.437 5.559 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1 101367382 QNFUVFNUUVPEHD-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101375167 BKNPEEWJBHZKCK-FLASPHMUSA-N 584.713 7.225 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380570 DXRWGNNUMAMLCS-DHUJRADRSA-N 582.631 7.360 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380791 PLMDOFNHXQOIKB-HKBQPEDESA-N 552.558 5.616 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381171 SJFBWQJTFHSFBD-AREMUKBSSA-N 549.435 7.071 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381227 DOUDICLEQHOZTD-XIFFEERXSA-N 629.540 8.579 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388495 KYIVPVQMLHQRKU-KIMVNOEWSA-N 579.052 7.155 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101392879 HCGJSGSDHNZXMX-VWLOTQADSA-N 561.388 5.958 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396345 SHARXWAAVXPNMP-VWLOTQADSA-N 613.950 8.724 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(Br)ccc6c5C)ccc43)cc2)cc1 101397510 GGBOLVTYXBLXJG-WJOKGBTCSA-N 621.487 7.829 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399573 SOCLGNWFTFUJFU-YTTGMZPUSA-N 604.634 7.522 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399668 KJKIYJYFOVZIGM-DHUJRADRSA-N 614.698 8.027 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597155 BBOUGPXNKJVOIY-OCSSWDANSA-N 534.878 5.891 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598860 FHHXIFOIBLAGNW-INKHBPHZSA-N 523.976 6.470 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 102780473 UVQPJLAXEDGLPE-VIZCGCQYSA-N 557.131 6.043 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4c(s3)C[C@H](C)CC4)ccc21 102940717 WNZPZFVYQIAJRS-GRCQKCIOSA-N 539.708 8.313 50 10 KKGE COc1cc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])ccc1COc1ccc(Cl)c(Cl)c1 103532739 BYBIDCUPXZMJQG-XKJRVUDJSA-N 599.387 5.406 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 103877453 RSIMEWPKWNYBDJ-CCVNUDIWSA-N 537.366 5.635 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103878145 QZZXPTVVWHMQCU-LGJNPRDNSA-N 528.200 6.301 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC#N 103879957 BCAIIHHVTNVLKG-BRJLIKDPSA-N 517.177 5.353 50 10 KKGE N#C/C(=C(/C=C(/CC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 106065619 UNLZWHHCRAWVBD-SUEXKHKLSA-N 539.418 8.693 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118920972 JWEOPRVXJUYGSP-QDKAACNBSA-N 549.678 9.359 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 150462500 QSVRPFAFWWYZGT-WJOKGBTCSA-N 649.502 7.946 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2cc(Br)sc2Br)c1 159841778 XHTJHXJZCDLAHN-JTQLQIEISA-N 557.849 7.539 50 10 KKGE O=C(CCN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 211917705 LHKFAQYBQWHNOR-SFQUDFHCSA-N 523.105 5.218 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214335410 KNYKIELQQHPQHV-ZMIIAFDNSA-N 570.693 7.236 50 10 KKGE COc1c(C)cc([C@@H](Br)c2cc(Br)ccc2I)cc1C 234919333 SATKWDUVGQOKBK-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 235823024 PHTKESZXWLEDAT-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE C/C(=C\C(C)C)[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@@]21C 245189639 YRBTULYADOAUMR-RGIOMVLVSA-N 645.017 9.831 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2OC)cc1 254622609 FIQRJADNUWHWIJ-UHFFFAOYSA-N 622.678 5.743 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc3ccccc3c2)cc1OC 254629857 LLUYGJRNMITEQM-UHFFFAOYSA-N 534.568 5.759 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccc(CC)cc2)cc1 254702768 FSJBIYLPUAUUEZ-UHFFFAOYSA-N 509.562 5.109 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 504374363 MDCOYASBAZJWKP-UQGTVUOOSA-N 935.155 9.826 50 10 KKGE in-vitro C[C@@H](CSSC[CH]NC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21 604939328 MNENLWBLBAYARW-QHCPKHFHSA-N 609.793 7.995 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2sccc2I)s1 688078325 FYBLJIYNTWDKOK-SECBINFHSA-N 508.038 5.807 50 10 KKGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@H]1CCBr 697201365 RNEDWQPRPRFPSQ-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE ClCCc1nc2c(Br)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705612295 WOEKGLNYHMAAHI-UHFFFAOYSA-N 524.890 6.052 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)ccc2Br)c(C)c1Br 724911360 YUSPNXTZAICYQM-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE C=C(CC(C)=O)OO[C@H]1[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OOC(=C)CC(C)=O)[C@@H]1OOC(=C)CC(C)=O 1082654996 SEVWSSHJTWAUDW-GQRFKRSKSA-N 897.927 8.153 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccc(F)cc1 1083931695 YUHYQJMCLVPPHH-UHFFFAOYSA-N 536.195 5.702 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1083962935 CWGRSEJZUDGNBG-UHFFFAOYSA-N 679.106 6.777 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084037548 LWBVOAIQGWOXQQ-GOSISDBHSA-N 660.513 5.623 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084088417 OKALZLUAFGFNHF-KGENOOAVSA-N 720.305 5.639 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084183423 PMBOZSCDKUTGCJ-UHFFFAOYSA-N 542.919 8.111 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1 1084218647 PQPGJNWDSORHMK-UHFFFAOYSA-N 569.547 6.796 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 1084251916 FZBLQFBAFADUBJ-UHFFFAOYSA-N 626.960 6.579 50 10 KKGE COc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1084286241 AJHWPLXYQQUJNM-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 1084325553 ARWMXHVCZIQJLG-SSEXGKCCSA-N 587.543 6.395 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084410900 WNUMHEJZFLRWDH-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084456254 VFSRQZDPRUQDOE-QFIPXVFZSA-N 505.643 5.965 50 10 KKGE Cc1cc(C=NNC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084493498 BXHHWYNIIBXGOQ-UHFFFAOYSA-N 634.712 6.048 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084521281 AEOAPKBYMDMUSD-UHFFFAOYSA-N 536.184 6.984 50 10 KKGE O=C(NN=Cc1cccc(Br)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084591845 XLXHSUTYAIMVCO-UHFFFAOYSA-N 545.093 5.638 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613989252 VVOJMQVGASSUEG-OXHOSHGGSA-N 568.449 5.966 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745027 OWXLUGZAMOEMSJ-HNNXBMFYSA-N 504.518 5.087 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1Cl 1772747779 QVRSBCXNLVYELM-UHFFFAOYSA-N 512.009 6.940 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686106 QSUVBJNRSKCBJK-HXUWFJFHSA-N 508.236 6.716 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865689502 AVOGARPAPMFCRT-FQEVSTJZSA-N 502.924 6.001 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865692503 GMONHTFSEQZZCF-SFHVURJKSA-N 539.341 5.882 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865694100 PPCOZIYLAWXIET-RUZDIDTESA-N 512.997 6.208 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865696769 KDKHMMWSSHVRMI-HXUWFJFHSA-N 518.923 5.950 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699072 KEQWIHXTNMQDFP-NRFANRHFSA-N 523.445 6.502 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701227 PJVPHDCGVCGOFS-QHCPKHFHSA-N 514.969 5.437 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701673 BFAVFMLYWXECKM-XMMPIXPASA-N 510.469 6.255 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703139 NUGPMFBBEWJCGR-MHZLTWQESA-N 529.015 6.474 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706720 DCXIMZWMDQRHLF-RUZDIDTESA-N 543.023 5.810 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)[C@H](c2ccccc2)c2ccccc21 1868206976 BAUBWSCZELSROD-UUWRZZSWSA-N 553.735 8.271 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868342115 KUOZKRVQGCVXCY-QHCPKHFHSA-N 513.711 6.899 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCCCc1ccccc1 1872792415 XLZOXVIVIZAPMG-LGUFXXKBSA-N 508.687 8.192 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 1872795247 VNNYABZSAIGHAU-PXLXIMEGSA-N 509.030 8.268 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)ccc1I 1923065387 BPHHZMMKBKJGFJ-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3CC[C@H]32)c1Br 2025780277 QLDURYOXFRFTQK-CMOFIFEBSA-N 552.724 6.829 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2047661329 BHFIPWSZSYMLON-XPUUQOCRSA-N 523.910 6.431 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2082389550 KNUSANMZCHLGLH-LJQANCHMSA-N 502.655 7.236 50 10 KKGE O=C(O)C[C@H](Br)C(=O)c1c(Br)c(Br)cc(Br)c1Br 2085493727 GHCODHUFICKQHX-YFKPBYRVSA-N 572.667 5.158 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)cc2I)c1Br 2142278705 GXUJLOFUHZRPMM-CQSZACIVSA-N 579.295 7.215 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2166118991 KAGXHDDHZWTVMR-UXCLJVHYSA-N 505.541 7.969 50 10 KKGE C[C@H](Br)CCCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2189280373 TUHZFLGGSBYNBQ-QMMMGPOBSA-N 530.884 5.661 50 10 KKGE CCCCCc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 2197259011 RJLWYXNYSXWMCS-INIZCTEOSA-N 528.091 7.332 50 10 KKGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCCCCC2)CCN(C(=O)OC(C)(C)C)CC1 2227918224 HQLXFMQCIIYTKX-UHFFFAOYSA-N 532.564 5.512 50 10 KKGE Cn1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2263510307 RRHXGALBWYJZKA-SNVBAGLBSA-N 501.842 5.386 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(OC)c(I)c2)c(Br)c1 2285010504 OMSWYYZQZSYFOW-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2297456606 MDYDWOVFXAQJQY-UHFFFAOYSA-N 514.821 7.500 50 10 KKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299529735 FPJXPWIMPIJKGX-GOSISDBHSA-N 531.107 7.645 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(I)c(Cl)c1 2303545519 SHZUGXHUWYUIEC-HNNXBMFYSA-N 522.608 5.045 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1 2313561089 TZIBXYGLHGIYGV-UHFFFAOYSA-N 574.700 7.607 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4nc5ccccc5[nH]4)c3C)sc3c2CCCC3)cc1 2313564953 IHXBETFHSUAXMG-UHFFFAOYSA-N 531.685 7.536 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314490350 XNGKCEQRDQIMSV-UHFFFAOYSA-N 592.014 6.016 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@@H](CC)C2 2314571794 MBWXGTZSIWBDCE-OAHLLOKOSA-N 577.024 7.918 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593297 KYCMHZVOOAEAJL-HRFSGMKKSA-N 563.645 7.132 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593595 PSWSGDGDLLRXLK-DEOSSOPVSA-N 521.564 6.333 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593978 WXDCPQLMYXSRCW-JOCHJYFZSA-N 500.451 5.845 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314611724 ZJCYXLBHJRPMGU-UHFFFAOYSA-N 542.639 6.367 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314616756 JADUDJNZRGEWPA-UHFFFAOYSA-N 586.692 6.684 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 2314792594 AMIPSZUREVETIT-UHFFFAOYSA-N 525.424 6.217 50 10 KKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)cc1Br 2316770363 NOMMVJWUWLTCKD-SNVBAGLBSA-N 544.836 7.045 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1c(Cl)cccc1Cl 2331445584 NWSHGQJFCSKMLO-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)c(OCC)c1 2331473601 MIRIVXBZTKXQTL-UHFFFAOYSA-N 501.402 6.148 50 10 KKGE COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Br)sc(C(C)=CC#N)c1C 2331558975 ZRHQEKMYVBUGFL-UHFFFAOYSA-N 511.825 5.984 50 10 KKGE COc1ccc(CCO[C@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1 2364694300 YTWZGRNMHAUPND-FQEVSTJZSA-N 507.263 5.181 50 10 KKGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2377340679 UZFYXVLGLYVYFO-NXEZZACHSA-N 526.960 5.059 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccc(I)cc2)c1 2381253024 FWAADOFFMIXWPK-OAHLLOKOSA-N 510.007 6.109 50 10 KKGE FC(F)(F)CC1CCC([C@@H](Br)c2sc(Cl)cc2I)CC1 2381953527 FTHQJMPGASYJAR-OIAXGBPSSA-N 501.577 7.201 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 38685500 ISWINLHCJXLFMA-SSEXGKCCSA-N 512.606 6.021 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 59292121 GVUPTFCKLHUDRR-GRSHGNNSSA-N 508.933 5.409 50 10 KKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2I)cc1 100141845 LPCUHHZQBYJKCB-PXDDYHHSSA-N 528.390 5.143 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 100235909 YEYDVSCDNSMDOT-XLBBBYAWSA-N 589.870 5.773 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 100327808 HVXHAHVJBMCNDQ-HSMHNTNPSA-N 578.834 5.496 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 101099481 YKEDKOVWUCNSOQ-UHFFFAOYSA-N 555.365 5.766 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109099 UAQBJDDMZNZJFW-FSGOGVSDSA-N 529.424 5.523 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101334740 YJFVWCWZQREDSA-OCSSWDANSA-N 577.084 7.020 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101338186 LAKPUGMFZLBXIU-UZWMFBFFSA-N 570.693 6.718 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340476 HNVGWOHCIGUQQW-NDZAJKAJSA-N 560.629 6.650 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379546 IWBMHZCSUNEESQ-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381859 BEEATZJZOFCWHF-JGCGQSQUSA-N 546.623 6.882 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385773 JRWCTNDNICERHT-YTTGMZPUSA-N 597.067 7.152 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386485 LESJEPUUNWAJFJ-GDLZYMKVSA-N 618.429 6.927 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387548 GEFIESKUZBBYER-GDLZYMKVSA-N 618.429 6.927 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(F)cc1 101389373 FIEVOGOTLCHIDM-XIFFEERXSA-N 596.611 6.015 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)oc2c1C 101391525 ZUDVPLCZDMCJMN-XMMPIXPASA-N 529.390 6.558 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1OC 101392596 UEBBEMHVXPJLLF-NRFANRHFSA-N 553.423 6.663 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)CC1 101395860 YHZNFYXOCVNYJE-YFCIGXFPSA-N 560.735 7.630 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1Cl 101399718 RWZAPAKMDDWHTN-JGCGQSQUSA-N 621.045 6.861 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405887 UYRZRJPYRWYZRN-FLFHKRBWSA-N 618.715 5.243 50 10 KKGE CCCCc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 102455513 PVHIWRRFSPUHRU-NBVRZTHBSA-N 506.425 6.998 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c(C)c1 102460291 WIKZUQDOTRCLJH-HEQFHQOESA-N 522.457 6.675 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12 102933055 ABRXVTWVXPNGKX-WQRHYEAKSA-N 606.816 6.937 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)ccc1OCc1ccccc1 103649408 YWZQNXYBJCBCTB-MTJSOVHGSA-N 550.467 7.174 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 103742613 RCDWPBWMXHVWLJ-SLSCBCEPSA-N 526.420 6.506 50 10 KKGE Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)ccc1I 103853377 POZSEJOABJLGGS-XODNFHPESA-N 539.339 5.719 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 103879826 CHRDHPWHGOKHSN-XICOUIIWSA-N 550.058 7.458 50 10 KKGE COc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)o2)cc1 104314792 GPHBSTSRDQGXKM-DGPALRBDSA-N 624.701 5.755 50 10 KKGE CNC(=O)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 106444202 BYJOJJSPZNCXKK-ULIFNZDWSA-O 541.611 5.525 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 150441971 IBLXUFJBBZBYMB-SSEXGKCCSA-N 631.910 7.518 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442124 UGCHHDFVQAECKK-JGCGQSQUSA-N 685.958 8.572 50 10 KKGE CC1(C)O[C@@H]2[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 204090779 FGVFROJJJDOTDT-AEKUSUEZSA-N 684.924 8.698 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)c1 206617323 WRLDZXZIFQSTGM-NKFKGCMQSA-N 527.584 6.205 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1cc(Br)cc2c1OCC2 236032528 ULNHDCIZNMPPRG-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1 236066200 WGGULOPNMUQYON-JTQLQIEISA-N 524.297 7.173 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 254289793 FGCAHQXXSYQXOZ-UHFFFAOYSA-N 500.584 5.092 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 254290970 MMIBZYOBIWVQCX-UHFFFAOYSA-N 542.680 5.340 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254440889 MAQWBQPPMGHFMP-UHFFFAOYSA-N 531.568 5.700 50 10 KKGE Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 254736805 OZIYWBXSSCJYAY-UHFFFAOYSA-N 500.558 6.792 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)cc2)cc1 254739566 NGTFYMGWFUFAJT-UHFFFAOYSA-N 553.619 5.552 50 10 KKGE CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 256014871 YZUJIMXHROAZNZ-XEKOPCEBSA-N 518.811 7.225 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 504791567 LKHIBBPOJARUFY-IYKJCGICSA-N 968.182 6.765 50 10 KKGE CC(C)c1cc(C(C)C)cc(P(c2cc(C(C)C)cc(C(C)C)c2)[C@@H](C)C[C@H](C)P(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)c1 725426092 ICKFYFQOSSWBAY-YATWDLPUSA-N 777.155 15.407 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083958201 KAPZTDVCDNOWAF-JOCHJYFZSA-N 566.279 6.307 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c2cccc(Cl)c2)cc1 1084049944 UCCJIODYLCFNQZ-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1 1084193522 DDTUCLVSTCDQCF-UHFFFAOYSA-N 525.312 5.410 50 10 KKGE Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=NNC(=O)c5ccc(Cl)cc5)cc4[N+](=O)[O-])sc3c2)cc1 1084242594 UCZLLZUMLKHFTR-UHFFFAOYSA-N 602.097 7.334 50 10 KKGE Cc1c(Br)c(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1 1084519835 UTJBDCDIRVZERX-UHFFFAOYSA-N 535.305 6.003 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 1084563400 NJLCTOIYVCHHNU-JOCHJYFZSA-N 526.247 6.843 50 10 KKGE O=[N+]([O-])c1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)ccc1Br 1614620285 DEAVNUJFQJYFPL-JKSUJKDBSA-N 501.162 5.008 50 10 KKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772746920 IWBKHLJREOSSDG-UHFFFAOYSA-N 507.406 5.392 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2cccc(Cl)c2)ccc2ccccc12 1772760488 RSJKNGVVCAHWSV-UHFFFAOYSA-N 501.011 6.191 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865692993 HENFKFCPBZBUSV-AREMUKBSSA-N 527.024 6.267 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1O 1865696503 OIUQRANDWLZFGE-JOCHJYFZSA-N 563.839 5.947 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865696896 TVAHCCKFCPNNOS-HSZRJFAPSA-N 526.559 6.385 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865704317 SKWCEGGVZNRYPL-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712059 OUSCHRRQKUWOAJ-XMMPIXPASA-N 532.522 5.815 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746626 QGGYEXZWHALREJ-GKYQZKGUSA-N 505.621 5.338 50 10 KKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872750281 ABDUXYOYABKFDG-AZJLSSPBSA-N 501.564 5.085 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3)cc2)n1 1872758943 XSNKPXCGXBIEAE-CFONORRBSA-N 501.007 7.557 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCc3ccccc3C2)c1Br 1924601488 XWKKPGZTVYBSKE-JQWIXIFHSA-N 543.944 7.277 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cscc1OCc1ccccc1 1939527241 LLZOTONRTMMHJL-CYBMUJFWSA-N 513.103 7.942 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CC[C@@H]1C2 2025779023 BRHRHETZMMOJRZ-XBZVRZDZSA-N 508.273 6.817 50 10 KKGE CC(C)c1ccc(NC(SCC(=O)N2CCc3ccccc32)=C(C#N)c2nc3ccccc3s2)cc1 2053623034 AZOYAKVHPXEJOY-UHFFFAOYSA-N 510.688 7.046 50 10 KKGE CC(C)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085492522 MVDPPESDLYFVNX-GFCCVEGCSA-N 524.316 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CC23CC3)c1Br 2086421733 PBJHHHVITFUFBN-BQBZGAKWSA-N 566.751 7.363 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100210621 NFSUFLATAAYHJV-FXAWDEMLSA-N 501.690 6.818 50 10 KKGE COC1(C(F)(F)F)CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2182020519 TXYALSVXUZTKRD-SIPCTPOTSA-N 565.869 6.829 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sccc2I)c(C)c1Cl 2217612926 JPAAWHULMNFMJR-LLVKDONJSA-N 520.455 6.870 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CC1(Br)Br 2224805391 MWYPQDDCIPTJSF-YUMQZZPRSA-N 518.418 5.447 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1c(Br)sc(Br)c1Cl 2229146760 BQSILNIZESWQSK-QMMMGPOBSA-N 528.318 7.865 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514171 ZRSVNQSHAHFOMQ-NSHDSACASA-N 526.252 7.795 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1I 2256336986 QKERPNNOIMWBGF-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277891762 KURBMSJRWKLPTJ-MRVPVSSYSA-N 617.220 8.130 50 10 KKGE CCn1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)nc1Br 2277959548 UZLPOUJGGDOCFJ-LLVKDONJSA-N 515.869 5.869 50 10 KKGE CCOc1c(I)cc(C=C(C#N)c2nc3ccccc3s2)cc1I 2294510987 MEZZUEIRODYSGZ-UHFFFAOYSA-N 558.182 5.968 50 10 KKGE COc1c(Br)cc([C@@H](Br)c2sccc2I)c(OC)c1C 2295427758 IKGTWCFQGYNWSD-LLVKDONJSA-N 532.035 5.925 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1 2296647329 YBBZRQPHRGEXCZ-UHFFFAOYSA-N 705.359 6.389 50 10 KKGE N#CC(=Cn1cc(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1nn(-c2ccccc2)c(N)c1C#N 2297604777 RWEVKHXGFHTZOW-UHFFFAOYSA-N 509.400 6.700 50 10 KKGE Cc1nc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299490535 ZITUZJNVUVSRFR-INIZCTEOSA-N 532.095 7.040 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521462 POCPEEMMSYZTGV-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1Cl 2313548871 HSYGVCJLJHGTGT-UHFFFAOYSA-N 542.035 7.830 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1 2313567158 HORZPQKVNKQICY-UHFFFAOYSA-N 608.217 5.623 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592022 JZAQLGKBLXATMD-SANMLTNESA-N 584.063 7.856 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594040 YBDBRYCWRSIXNR-AFMDSPMNSA-N 564.538 7.420 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314617471 YWNOXCIZXMGLOR-UHFFFAOYSA-N 532.575 5.522 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314618226 JRMIJXFOHGLJEH-NDEPHWFRSA-N 604.710 7.780 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634330 DIPDJGJEHZYFBE-WJOKGBTCSA-N 538.644 6.618 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634460 UYTLLKJRVQJPDE-YTTGMZPUSA-N 554.643 6.500 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 2314640677 LHOXQOCSPKVJOI-XIFFEERXSA-N 544.607 6.420 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 2314643192 HCHYJRBQZTXVPY-YTTGMZPUSA-N 548.570 6.250 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 2314750871 AJSHVGRPLHQUMN-UHFFFAOYSA-N 536.584 5.457 50 10 KKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 2331293228 JWZOXRNTBQVDNG-UHFFFAOYSA-N 520.695 8.297 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C(C)C 2331356044 IAHJDFMVIQZCLT-UHFFFAOYSA-N 518.551 5.248 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OC(=O)c1ccccc1 2331424725 INJZVZFBPUGMAT-UHFFFAOYSA-N 507.398 7.409 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2333303429 CQHNZDGZGJBUJI-INIFJCPBSA-N 582.750 6.598 50 10 KKGE Clc1ccc(I)cc1C[C@@H](CBr)c1ccc(Br)cc1 2352371105 WUDYKCQFGGPXLF-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE Cc1cccc([C@@H](CI)OCc2ccc(I)c(Br)c2)c1 2377621244 FSXJZXFMDWVPKV-MRXNPFEDSA-N 557.007 6.055 50 10 KKGE Cc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1C 3090527 OCQDEXOSZBEZET-OPEKNORGSA-N 550.203 5.170 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCCCCC)cc1 14648375 LSQZLWOWPSSXFH-UHFFFAOYSA-N 519.480 6.442 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(Br)c1 14649940 QRXUUCFQZIMIJI-UHFFFAOYSA-N 530.463 5.105 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 38606241 SLAVJROEUQZDSR-RGVLZGJSSA-N 515.393 5.210 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)c1 38657122 REIDGRFUGBUIBO-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658871 COHJTVQONHKCTA-HHHXNRCGSA-N 514.578 5.710 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1 38660028 ANTHLMPQPJZTGS-MHZLTWQESA-N 510.571 5.773 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 40950858 YTRWPZAKIFBYGA-OKCVXOCRSA-N 518.455 6.279 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 58889513 LYUPLQGLWRAOOK-ZZXJHYAVSA-N 507.417 6.690 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58895130 BRWFBJZBOPRLGF-LJAKKAIASA-N 517.582 5.265 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 59291995 GPHAOXHAIWOBMM-VCHYOVAHSA-N 512.349 6.425 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212930 XJZKIAVFZQCWNJ-UHFFFAOYSA-N 584.536 5.445 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 100234170 HSEQSOJVAHXSOU-QHGCQYGXSA-N 543.639 6.175 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 101008539 CYCXNYZFHHBLFQ-PQEHTIEUSA-N 569.253 5.395 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101335959 MZLZHLKQHIJKIS-NJZRLIGZSA-N 586.692 6.446 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101376981 XAGHZPQVBNCXHT-MUUNZHRXSA-N 553.442 6.765 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385161 NGIOUGHELLBOEV-PMERELPUSA-N 553.014 6.673 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386528 UAWDWEIHEZTUHD-PMERELPUSA-N 552.558 5.859 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101388002 XTOQYLAHYHSPPK-KXQOOQHDSA-N 622.721 7.928 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388493 ZXPYNOOCOSFECN-YOSUIBEXSA-N 613.497 7.808 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101391410 SSQGEIMQJSRJMH-FQEVSTJZSA-N 572.267 7.408 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(C)c2c1 101399546 NUWTWLISAXVNBC-XIFFEERXSA-N 604.634 7.468 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Cl)c1 103796827 AHVMJHQIDZWHAO-ZSNJKBEMSA-N 568.504 8.411 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806217 SIOIWDKATHYPDY-FDZPKNHRSA-N 603.657 5.938 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccco4)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 103806480 JDIKCLXVBPEBFX-CCVNUDIWSA-N 578.031 6.618 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC 103877276 OQEXSBAEDOJHAZ-ZCTHSVRISA-N 528.450 6.716 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2c(c1)OCO2 103879060 XZNDECOEYDJAQV-XODNFHPESA-N 537.366 5.666 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1cccc(Br)c1)c1ccccc1Cl 105567029 OYWROLCYWRELQJ-XHPQRKPJSA-N 516.873 6.639 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1OC 128293117 VGBHJOJCSHCYKF-LLVKDONJSA-N 501.034 5.783 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 150422071 CEHVVUWNVCWFID-DQSWQQFISA-N 627.306 6.540 50 10 KKGE O=C(N[C@@H](c1ccccc1)[C@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 195932743 GAVLUHWIRDNCEW-DKSDCYBHSA-N 788.868 8.845 50 10 KKGE in-vitro CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205661323 PBNKYTKBNSRSOY-URHHGFGZSA-N 508.618 6.873 50 10 KKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206507987 RCCNUVGGGDKCSS-RQAATEJQSA-N 526.589 5.335 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214407118 KOGBMEQHWFWFJA-MIXAMLLLSA-N 546.602 6.260 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214411964 DJBRBGWJOVYGCW-OYKKKHCWSA-N 514.528 5.735 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 231177822 PPFHNIVPOLWPCF-XIYVOTBMSA-N 541.071 6.075 50 10 KKGE CO[C@@](C(=O)O[C@@H](C)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)(c1ccccc1)C(F)(F)F 238791039 BDGRENIBKYGFGK-QYUDBREXSA-N 506.634 5.564 50 10 KKGE O=C(CCC(=O)NN=Cc1cccc(OCc2ccccc2)c1)NN=Cc1cccc(OCc2ccccc2)c1 254548130 QGYKKJWSFDOLMH-UHFFFAOYSA-N 534.616 5.225 50 10 KKGE C/C(C=NNC(=O)COc1ccc(C)c(C)c1)=C/c1ccc(/C=C(/C)C=NNC(=O)COc2ccc(C)c(C)c2)cc1 254819388 WPAOFQKWYJAEOY-OIHKBKKSSA-N 566.702 6.089 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]1OO[C@@H](CCCCCCCC)O1 256067470 KYGUWEUFTRFTBP-XJXYPRIUSA-O 809.096 10.874 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)c(Br)s2)c1I 379204076 JGQDUIGDPUPIEX-ZETCQYMHSA-N 540.844 5.096 50 10 KKGE CC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@@]1(O)[C@H]1Oc4c(O[Si](C)(C)C(C)(C)C)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 575627071 JSASBOULOIZLBF-CBQNLZMQSA-N 567.887 6.438 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3scc(Br)c3Br)c2O1 720043095 NBBZIEDADCUAGO-KBUNVGBDSA-N 545.916 6.843 50 10 KKGE Clc1cc([C@H](Br)c2ccc(I)c(Br)c2)sc1Br 721591516 CEQXQNDYTXYESY-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1083899661 GWOMSMFXNCIIFU-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccccc2)cc1 1083981586 OEZHFOICMUAPGB-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)COc2ccc(Cl)cc2Cl)c1C 1083986014 LCFXMFZHZVKMEM-UHFFFAOYSA-N 509.231 6.001 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)O 1083999020 HFLAJMSNUSCSAQ-UHFFFAOYSA-N 562.420 5.451 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CSCc2ccccc2)cc1 1084032200 ZMBMHIHJCJQVMJ-UHFFFAOYSA-N 516.666 7.616 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(O)c1 1084043243 KPRZJQOJBRKPSC-UHFFFAOYSA-N 556.736 5.627 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)Cc2ccccc2)cc1 1084082509 BYECEPNOFBGJBA-UHFFFAOYSA-N 605.116 5.007 50 10 KKGE COc1cc(C=NNC(=O)Cn2c([N+](=O)[O-])cnc2C)c(Br)c(Br)c1OCc1ccc(Cl)cc1Cl 1084130568 CWRKXGCFOLDDLO-UHFFFAOYSA-N 650.111 5.669 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084277072 JOYMBBXLZUVEBX-RUZDIDTESA-N 671.359 6.938 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1ccc(Cl)cc1 1084281814 OQTMUYJTHXSSLF-UHFFFAOYSA-N 648.885 5.173 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 1084435878 FGMPGODGHALDCC-YBFXNURJSA-N 511.803 6.544 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084535490 XIZSLHSTUOQWSL-KGENOOAVSA-N 662.753 6.542 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 1772724428 VIRUFCJMHHDFHR-MUUNZHRXSA-N 547.709 6.894 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc(F)cc1)CCC2 1772751192 WWUMPMFGKLOASP-UHFFFAOYSA-N 519.360 5.026 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754653 NKTPDAGOJRLJMF-UHFFFAOYSA-N 529.862 6.508 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772755369 CXVDTDUTNBOWNT-UHFFFAOYSA-N 560.286 6.443 50 10 KKGE CCCCC[C@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665495 OUFIJZVLVZAQTQ-QHAIXRGKSA-N 549.349 10.844 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684867 ATUQXZLGZQKXSL-XMMPIXPASA-N 514.988 6.235 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685080 FBMQDQOLUKCCGX-RUZDIDTESA-N 509.396 7.217 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690021 ZFCGZEYFASRWRB-LJQANCHMSA-N 550.240 5.826 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865691176 LQROVJGUVAZGED-JOCHJYFZSA-N 531.495 6.050 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694364 UGPBAEKKRPIXDT-GDLZYMKVSA-N 555.078 6.733 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695098 JTUXXXIBZRMACU-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865695142 LBPPYRWKXABBIF-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865695288 BFTPNVDDPRKUSH-MHZLTWQESA-N 500.643 5.906 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696088 XIEYSSMGBIOXNC-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696738 QSKPABCQVNNGQI-IBGZPJMESA-N 520.214 5.487 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OC(C)C 1865697413 RVVVOMATLGHLPP-VWLOTQADSA-N 512.997 6.207 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700787 DKWWWKGDELZURF-MHZLTWQESA-N 545.470 6.988 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700978 ISUNYCILXAZQHX-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705370 UEAFVBSLRFMTDF-JOCHJYFZSA-N 527.408 5.608 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865707292 SQSXVFADMKLRCD-HKBQPEDESA-N 555.657 6.982 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709115 OCBTUTDHFHIWLE-QHCPKHFHSA-N 547.398 5.830 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714396 JHCBPLPHYWSWTR-HSZRJFAPSA-N 531.385 5.727 50 10 KKGE CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200501 HEWGYWRWOREOQQ-MUUNZHRXSA-N 545.068 6.037 50 10 KKGE CC(C)c1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)CC2 1868207388 LYGKFXASUPLOOI-BHVANESWSA-N 567.762 8.660 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868342772 ZIAHJKKFRAMNRN-FQEVSTJZSA-N 521.712 5.781 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)n2)c1 1868505603 JUXPZOPLSFUTQH-MUUNZHRXSA-N 535.717 8.108 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743652 FRHDANFOBNGYEK-WUZNOGLBSA-N 519.670 7.448 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1C 1872753884 RPEDYWPNAWFVHK-AEWZPABSSA-N 519.848 7.112 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)cc(C)c4OC)cs3)cc2C1=O 1872756892 GKIJAOVAWMQEEB-KHESLQRKSA-N 507.999 6.125 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1872757305 ZLAPCRXRJLQNFR-QJOMJCCJSA-N 512.975 5.475 50 10 KKGE CC(C)(SC[C@H]1C[C@H]1Br)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893196240 OBHMHTYKPMFPLW-IFZYUDKTSA-N 504.446 5.274 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@H](Cl)COCc1ccccc1 1904344479 VMYGWVRVWBQZLD-INIZCTEOSA-N 508.625 5.310 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccccc1I 1923054838 KUOQCVVQRNWMKZ-QMMMGPOBSA-N 526.846 6.859 50 10 KKGE Cl[C@H](Cc1ccncc1Br)c1cc(Br)ccc1I 1924047785 PTAZMOLWOZQDFM-GFCCVEGCSA-N 501.387 5.734 50 10 KKGE Cl[C@H](c1ccc(Br)o1)c1c(Br)sc(Br)c1Br 1924579432 FGPFIRYYZAMWRP-SSDOTTSWSA-N 514.258 6.719 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2C[C@H]3CC[C@H]2C3)c1Br 1924591343 QALNJMFPAKAIFS-RBXMUDONSA-N 521.938 7.298 50 10 KKGE Fc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924599241 DQOCESGOBPPQSQ-SSDOTTSWSA-N 539.859 6.993 50 10 KKGE Cc1cc(Br)sc1[C@@H](Cl)c1cc(Br)ccc1I 1950207679 JLHFFACOJVHPAG-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)c(Br)s1 2024281113 CNFZWTRGAZCSRN-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012735 HJVZUVSIRAKMNI-APDPVFKCSA-N 784.887 14.392 50 10 KKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br)C(C)(C)C 2059265034 ONZJFMRZZBCRBF-CYBMUJFWSA-N 509.329 6.031 50 10 KKGE CCN(CC)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@H]12 2070736899 LQNXUCJZFHOSCM-CRDCFYADSA-N 510.707 5.739 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ncsc2Br)c1Br 2081055732 XFRZTMMVCDZGFL-SNVBAGLBSA-N 518.894 6.532 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1cc2sccc2s1 2084759249 GSQVHKGJCKTCIQ-ZDUSSCGKSA-N 514.045 6.814 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2141468594 LOAOIQRVFYRWBR-DXJPJRLNSA-N 538.299 6.442 50 10 KKGE O=C1Cc2cc([C@H](Br)c3csc(Br)c3Br)c(Cl)cc2N1 2150344584 NUMCNBQSGPKIPB-NSHDSACASA-N 500.437 5.905 50 10 KKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170610703 WHWYRMAPSBNSTB-RISCZKNCSA-N 515.027 5.222 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1cc(Br)ccc1Br 2175147787 RPBHEPIWMOAOMV-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CCC23CCC3)c1Br 2206397057 DOLRLBBINLBQHH-RKDXNWHRSA-N 594.805 8.143 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)c1Br 2206398521 WAADQOJGIXAFIJ-VJGMYXETSA-N 594.805 7.999 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399339 FXJPEVYHIVOESS-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cscc1Br 2213491686 HPALDHAZPBPMFI-NSHDSACASA-N 507.842 6.659 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Cl)c1Br 2288354901 OHOISCHYKRKQRO-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE O=C(CSc1nnc(SCc2ccccc2Cl)s1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2293735576 HXIQFYKYDFKEAF-UHFFFAOYSA-N 506.034 5.300 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12 2294578390 TWTXFGXPDLAAFF-UHFFFAOYSA-N 580.482 6.937 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O)cc1 2295116834 RDHSPTTVEQOUGZ-UHFFFAOYSA-N 636.728 5.263 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2295499902 DFBZYELUSQFILW-ZDUSSCGKSA-N 519.480 7.765 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OCc2ccccc2)c1C 2296789948 DJKVPGNKVCERBA-UHFFFAOYSA-N 535.672 6.752 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 2297368330 VAOFVHYTSVLHLS-UHFFFAOYSA-N 512.374 5.440 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631254 MWMVWONSVFLTPD-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 2314478726 STAIKQIWZZFNFD-UHFFFAOYSA-N 549.627 6.904 50 10 KKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2314482908 ZDIKYRAYDWZAAZ-UHFFFAOYSA-N 511.541 6.660 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592558 XNQHOIYDAOKDOX-VWLOTQADSA-N 546.490 6.385 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593982 WZJRKXRFCSLXGY-RUZDIDTESA-N 552.483 6.135 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594100 YZPUUPUYWDXCRP-XMMPIXPASA-N 536.484 6.298 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314610385 HJBBCRCOYYKNMN-UHFFFAOYSA-N 605.138 7.944 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314617879 CHOJOWDOWLRLMZ-UHFFFAOYSA-N 612.089 6.959 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 2314634134 QGEDIKJSPLJLIJ-XMMPIXPASA-N 532.210 7.137 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314640738 UWMZDDWSMVDFSM-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 2314643308 PRGIPHMHSYPLJN-MGBGTMOVSA-N 562.597 6.559 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 2314643373 VPWHHHRNONBOMB-XIFFEERXSA-N 597.042 7.294 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 2314646798 OPJLRIVGXPYHEO-SANMLTNESA-N 669.159 5.517 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646930 VAIWWADJAFUOHD-MHZLTWQESA-N 648.741 5.172 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)cs2)c1Br 2315447493 OENRNTVRXKGDJS-SECBINFHSA-N 542.287 7.312 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1I 2316774996 NYSSOUDBKIYWDG-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C)c1-c1ccc(Br)cc1 2329622233 WTLSRBSEBPHWHM-UHFFFAOYSA-N 525.424 6.217 50 10 KKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330521894 NCLYRUSNTIBIHQ-VWLOTQADSA-N 522.095 6.373 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331256687 PTUPYYZGCQCKLN-UHFFFAOYSA-N 502.552 5.540 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)cc1 2331305460 FTIRCBZVHRSYGP-UHFFFAOYSA-N 519.848 7.277 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331349164 WXGAKPXMRHTZCO-QFIPXVFZSA-N 500.605 5.502 50 10 KKGE ClCc1ccc(Br)c(Cl)c1Oc1cc(Br)cc(I)c1 2338885563 RZCCUINLNMDSCI-UHFFFAOYSA-N 536.816 7.001 50 10 KKGE C[C@H]1CCC[C@@](CI)(OCc2ccc(I)c(Br)c2)C1 2350055734 NVRCLLYENVKUJQ-XHDPSFHLSA-N 549.028 5.954 50 10 KKGE C[C@H]1CCC[C@](CI)(OCc2cc(I)ccc2Cl)C1 2352253628 MSUGLRAGXDVOOO-NHYWBVRUSA-N 504.577 5.845 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 2362225576 QRXDTGBOICFYSM-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)c(C)c1Cl 2365595498 KMXNIABRRISAFV-CQSZACIVSA-N 548.871 7.462 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1nc2ccccc2[nH]1 33385775 KFZWRDLZAQFYPF-HKOYGPOVSA-N 511.560 7.198 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 34704811 BZVIQTMIXILUQA-WPONEWDJSA-N 500.618 5.524 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)cc1 35446167 PWWSBJJNPCTRQQ-ZXVVBBHZSA-N 516.645 6.783 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(C)c5)ccc43)c2)cc1 38686606 QDTIKRQZKFBOSP-SSEXGKCCSA-N 502.570 6.320 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38701305 PKZDHTVTRJYZKF-NSOVKSMOSA-N 512.562 5.219 50 10 KKGE CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)(O)OCCN(CCCl)CCCl)OC 100036894 UOGJZXUJZLEORY-MUUNZHRXSA-N 606.653 8.193 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2ccccc2[C@H](C)CC)cc1 100094252 FLKVGYDHAASNGI-IMKPFKJNSA-N 542.680 5.772 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227640 OMDKHQWBIXJCKY-PVEGLGLCSA-N 603.413 5.141 50 10 KKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100261282 UJNJXRQBKXBQAB-KUHUBIRLSA-N 556.295 5.417 50 10 KKGE N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 100404059 YBFSCFYBRRCXDK-ZHZULCJRSA-N 523.397 6.460 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 101115338 KDNRWHREBCOBBL-OWBHPGMISA-N 556.203 6.102 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241284 UFVZOEZAQZXWQB-IEQIIXMPSA-N 562.489 5.590 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101245035 IQSDTCCOWHSXNV-TUJXDINHSA-N 550.511 7.490 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245440 KTCFDSPBFDXOPN-IEQIIXMPSA-N 536.484 6.929 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101303396 NVUGRHAEMWUWBV-NJZRLIGZSA-N 570.649 5.948 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101304858 SFWSCHHLFHBGBJ-WVDSIQFCSA-N 554.650 6.766 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337709 PXOOOMDJBTVADB-IEIKYZJLSA-N 591.111 7.725 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367544 MHAOYKFLFYVCQS-HUBRWUETSA-N 590.676 6.989 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 101375426 NJOAACDFTGSENX-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380906 VTVFRTQUPBEKHU-UUWRZZSWSA-N 556.593 6.924 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383462 ZGDDJZIIWQLHRD-MNAQKMTRSA-N 581.068 7.072 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383881 OJPSEBXTDWSWIZ-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385076 SPUULOFGRHBEPL-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386552 BCXWNBAUSWXGRH-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)c(C)c2cc1C 101394055 NDXXREITMXHWQW-VWLOTQADSA-N 529.390 6.558 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101396995 HEULGCMMVFFREO-GDLZYMKVSA-N 557.046 7.709 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 102664468 CZFDLCSKHHKNTJ-RGEXLXHISA-N 527.558 6.614 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1cccn1-c1ccccc1 103871336 QITMQTZVEOGDCU-LGJNPRDNSA-N 528.204 5.080 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 103891075 ZCCCDFOUDYMZQY-CXUHLZMHSA-N 546.204 6.609 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1Cl 150461216 MCDDFGWVZWKXCJ-JGCGQSQUSA-N 663.529 8.336 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150462485 XPZNQUSLKFTDFT-NDEPHWFRSA-N 681.956 9.026 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214220182 ZIUUMGAHKNGATA-YUMHPJSZSA-N 508.622 5.885 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 234779877 HTEPFEBDDLGWED-JTQLQIEISA-N 554.323 7.182 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 254290431 MAIKGBHVJKDTPG-FYUVASAISA-N 583.560 5.260 50 10 KKGE CC(C)(C)c1ccc(C(CCCCl)=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 254525948 JOPRBRWYYOVTPA-UHFFFAOYSA-N 518.488 8.006 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(OCC)cc3)cc2OC)cc1 254790239 BWQJCLFQZFKWLE-UHFFFAOYSA-N 652.704 5.833 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 254904649 QXGWGNVUKXBNOH-UHFFFAOYSA-N 555.700 6.043 50 10 KKGE COc1ccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc1OC 263630784 XNAMKRNZKHBKRH-UHFFFAOYSA-N 551.550 5.949 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)cc2Br)[C@@H](CI)C1 382686644 GDLILSFAGZIPMC-GWCFXTLKSA-N 500.602 5.488 50 10 KKGE CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3CCCCCCCCCBr 504198411 MQMZNCMIENHRBS-UBZJTREKSA-N 521.580 7.802 50 10 KKGE Brc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1 721572533 LZANPIBIUXKTEW-LBPRGKRZSA-N 544.850 6.495 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)C(O)(O)[C@@H](CCl)C(=O)CCCCCCCCCCCCCCCCC 888085095 SLGDGGKDXPCRKW-QTGFUGCQSA-N 639.446 11.736 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069121 DIMYHZDULFSWLS-TUCBDXJASA-N 641.142 11.150 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 1081030215 SPHUIJWPZSWHEE-QDRGSXGWSA-N 510.923 10.671 50 10 KKGE in-vitro C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(c1ccccc1)c1cccs1 1083844346 QGALPLKHNRFNAJ-IBGZPJMESA-N 502.669 5.187 50 10 KKGE Cc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1083901381 BKSLSJLSYUCFIN-UHFFFAOYSA-N 531.204 5.242 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083908326 WNRSIBUKJVYXGB-UHFFFAOYSA-N 518.404 5.477 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083909702 SQNIKTYEUAATFS-UHFFFAOYSA-N 643.387 5.877 50 10 KKGE CCOc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1083991482 ZTGVVKWHFRUYTR-UHFFFAOYSA-N 510.182 5.519 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084134008 SPPWPBXOMJUVOK-IBGZPJMESA-N 544.438 6.417 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cc(Cl)ccc1Cl 1084147614 CZXUYGZQWQEZQA-UHFFFAOYSA-N 505.199 6.674 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084167062 GSCHKTZAHVMRGU-LPYMAVHISA-N 507.417 7.164 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084256003 DTIOOSABZOCMGC-UHFFFAOYSA-N 619.914 5.720 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084264537 PHGKAMSKSVZCGN-UHFFFAOYSA-N 539.032 5.232 50 10 KKGE CC(C)(C)OC(=O)[C@@H](CSSC[C@@H](NC(=O)OC[C@@H]1c2ccccc2[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1084268873 QGWOYZLGEIXRTK-YXBCIWNZSA-N 789.029 8.734 50 10 KKGE COc1cccc(C=NNC(=O)c2cccc(Br)c2)c1OCc1ccc(Br)cc1 1084390788 GWZSOFZUHWAUDY-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 1084426383 AHICNZKVUMGIBM-UHFFFAOYSA-N 510.373 5.160 50 10 KKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084561995 RZJWYABJFSFWLE-UHFFFAOYSA-N 542.886 5.446 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(OC(F)(F)F)cc2)C1 1614613973 HRGBPYRSQFQDDA-AEFFLSMTSA-N 505.274 5.372 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653195 SHAFLAPCJMRCIM-JQKULGJYSA-N 550.511 6.859 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865688553 VAHQQRQLRBQSBL-HXUWFJFHSA-N 547.812 5.371 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc(Br)c1O 1865688672 YDXRLPURMKOQGW-IBGZPJMESA-N 560.246 5.282 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865690011 YYEDXMPKLUTUFU-LJAQVGFWSA-N 550.659 6.239 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865691414 RDFIEJMVKIUHQL-RUZDIDTESA-N 569.475 6.327 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692975 GZSHQKMOTNHNEV-MHZLTWQESA-N 507.594 5.416 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865695842 IBBARLKUGOOABS-RUZDIDTESA-N 548.565 6.840 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865702998 KJSIFPFEFSRLTM-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865703277 SCPMNAZGWPMDNP-LJAQVGFWSA-N 520.633 5.998 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703514 ABODRJMBRGGCJI-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865709337 UVXJRIZJNHCFQR-XMMPIXPASA-N 527.422 6.091 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711682 FTIQGMWYJMOPLF-AREMUKBSSA-N 559.022 5.504 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711875 KBKDMRNOBQVRCP-MHZLTWQESA-N 511.025 6.334 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 1866580652 WLQDUOVIXQSKAJ-RUZDIDTESA-N 580.760 7.020 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2cccc(Br)c2)c2nccs2)c2ccccc2)cc1 1867041141 WXZAFXGQILIXSI-ILBGXUMGSA-N 577.529 6.497 50 10 KKGE C[C@@H]1Cc2ccccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C1 1868544675 IWGASHGQIBBMOQ-OAQYLSRUSA-N 505.691 8.088 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5c[nH]c6ccccc56)cs4)cc3C2=O)c(C)c1 1872752974 BUGSCPAMGYWGML-QYQHSDTDSA-N 516.582 6.659 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OCC)c1 1872755675 ZLHOLCHJHCYWRC-UZYVYHOESA-N 511.987 5.479 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCC(=O)N(CC)CC 1872792721 NYBWSNNBCHGKPT-HYARGMPZSA-N 519.667 6.146 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915075791 JHSSVMYFTPELBQ-CQSZACIVSA-N 504.060 6.028 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1sc(Br)cc1Br 1922944499 ZGZRVCLUYGGSSC-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(I)c1 1923066747 UMUSLKPCWUPCCK-MRVPVSSYSA-N 589.287 7.155 50 10 KKGE COc1ccc(CC[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924599849 MKJQZLHXLMDUPB-JTQLQIEISA-N 503.481 6.957 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc(C)c1F 1924608200 FHWWZLVQMOOHMD-SECBINFHSA-N 535.896 7.276 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1924614574 PLUFDBJZSANFJX-IVYCMCDPSA-N 521.894 5.895 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 2036570433 BLNADKWCHITBGO-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2115941787 DOAVSIHWCKMZOU-SSDOTTSWSA-N 519.427 7.491 50 10 KKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(I)c(Br)c1 2179630251 SSQPLIVDBUNGRW-ZYHUDNBSSA-N 515.027 5.127 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2213747017 RKJMIVQZTAUHKT-ZETCQYMHSA-N 544.353 7.543 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccoc2Br)c(C)c1Br 2220158744 RGRWXSTVTMVTTG-LBPRGKRZSA-N 501.838 6.668 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(I)ccc2Br)c1 2232136454 SKZMTFARPWZGAN-AWEZNQCLSA-N 534.844 7.039 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2234055996 FMTMGPXFGDSZSY-ZBFHGGJFSA-N 511.689 6.526 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CC1(Br)Br 2234069423 SIASISHTFJUVEG-NKWVEPMBSA-N 550.314 6.367 50 10 KKGE CCc1cc([C@@H](Cl)c2cc(I)ccc2Br)sc1Br 2255987530 BZZWMTGDWZXXEP-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1cc2sc(Br)cc2s1 2278022462 OUTCWRKFHSGEJU-LBPRGKRZSA-N 501.490 7.626 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)OCC)o2)cc1 2296500559 ZARIXUPDZSUAFE-UHFFFAOYSA-N 575.042 7.228 50 10 KKGE COc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=NNC(=O)c3ccccc3O)C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 2297710609 XZIIAFVBBJPEML-XCLLURMWSA-N 636.701 5.144 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1scc(Br)c1Br 2299487881 AOFKEHUAUBMUQD-INIZCTEOSA-N 595.976 8.099 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521562 WZTFFWBDUJCGDK-UHFFFAOYSA-N 597.409 6.340 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556178 PSBJMYSWXQXHQF-UHFFFAOYSA-N 565.386 5.756 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1 2313560790 HBAIOHXDFBPKIB-UHFFFAOYSA-N 511.419 7.344 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 2313568775 WZFNNUPZNPNVCG-UHFFFAOYSA-N 571.225 6.553 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(I)cc2)cc1 2313570788 GIBHXDYEQMALAU-UHFFFAOYSA-N 573.228 6.487 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591853 GGLIJPVSGVYPCF-MHZLTWQESA-N 511.647 6.192 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592253 OZKCWZTUTUJPTR-NDEPHWFRSA-N 509.675 6.746 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 2331259330 QAWAAPRNJACTSW-CYBMUJFWSA-N 505.821 6.803 50 10 KKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331279286 FIGQVADFDLURFG-UHFFFAOYSA-N 509.212 6.102 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 2331410807 GWJBNYUVOPMLPQ-ZDUSSCGKSA-N 516.406 5.980 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c(C(C)(C)C)c1 2331412969 XSKVXWKNKDMBTC-UHFFFAOYSA-N 510.612 6.014 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 2333303761 SHQYFAOPZQJDCW-AXPQPMNGSA-N 582.750 6.740 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2338759702 YVROAAPNBOKVRL-BFHYXJOUSA-N 504.000 5.154 50 10 KKGE CCc1cccc(CBr)c1OCc1ccc(I)c(Br)c1 2377286318 KEJHBSOVDQTHIB-UHFFFAOYSA-N 510.007 6.090 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N 9693483 KXGSSDOSHURYIZ-HXUWFJFHSA-N 506.425 5.830 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1 38660914 YHTBSYPACOQUTQ-SSEXGKCCSA-N 518.569 6.705 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38685176 UQTAPGODURGNQN-WJOKGBTCSA-N 504.586 6.385 50 10 KKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1cccc2ccccc12 40607340 LFOKFTXGYYXLOB-UHFFFAOYSA-N 504.550 5.502 50 10 KKGE CO[C@H]1O[C@H](CBr)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 59269950 GBRWKBAOTRGDCL-JYIVOWJTSA-N 527.455 5.509 50 10 KKGE in-vitro Cc1ccc(N[C@@H](NC(=O)[C@H](C#N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)cc1 97983095 ITOZWTVMTPIRSL-YTMVLYRLSA-O 581.891 6.106 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cc(Cl)cc(Cl)c1O 100061908 MJCNCIWFDTZQIZ-KTZMUZOWSA-N 547.030 5.906 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844213 YMEQWZSXAKLTDG-ZGFHQPTRSA-N 556.855 5.233 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245761 NEKOXQRFXYZHAJ-IEQIIXMPSA-N 551.590 6.478 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101333075 ZHQRGASFRQAJPW-NDZAJKAJSA-N 560.629 6.650 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101340543 CMTUICQRWRJAES-FMFFXOCNSA-N 594.646 7.050 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 101362219 FTQYESHUGSFLIE-MUUNZHRXSA-N 533.024 6.338 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 101373578 AXZBTHNCMLAPBO-LJAQVGFWSA-N 530.577 5.085 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 101377972 BKWMFMQHUHMPDX-JGCGQSQUSA-N 532.640 7.626 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380260 WBQRNMPKHBZKAK-DIRGTLEOSA-N 532.571 6.550 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381619 OKMOSDFLGOYASO-PCKRUSJDSA-N 556.662 7.400 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101388988 MMEISGJHCWGTRR-XIFFEERXSA-N 580.612 6.314 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399987 WMFURHJSTYDMGO-XIFFEERXSA-N 618.661 7.912 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599524 IFZWVZUVEXZGJR-UXHLAJHPSA-N 534.332 6.092 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 101613528 ZFONFXVMQRCECW-AWQADKOQSA-N 535.644 7.157 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1C 102932997 MCGUELKUTUSLDM-NDENLUEZSA-N 606.382 7.142 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OCc1ccc(F)cc1Cl 103563338 HEEGMDSRFAZJPH-DPNNOFEESA-N 545.998 6.012 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O 103741813 VJJPRZQTKMXKRB-SCIJIFGBSA-N 522.424 5.093 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 103880679 WBFOKNATKRLIDW-KEIPNQJHSA-N 564.483 7.558 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(I)cc1 103888205 NGKLFTAFXWAPQF-NDENLUEZSA-N 572.830 6.776 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 150382785 ZIHLAQZUKXHFMH-MGCJZSHXSA-N 625.155 6.517 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCC(C)C)c(Br)c1 150411135 YAIMWPSSHURQRQ-UHFFFAOYSA-N 652.203 5.032 50 10 KKGE CC1(C)c2cc(S(=O)(=O)O)cc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cc(S(=O)(=O)O)cc21 195845603 PVKZQUUTJPBBOL-UHFFFAOYSA-N 738.760 6.128 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O 199746489 MJSKVWNKVOKDNI-XLZGHGBUSA-N 530.910 8.734 50 10 KKGE in-vitro CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205659747 BCFOMWYCYOTDTN-UFZZZVQLSA-N 536.672 7.390 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214360123 QDDXYUPJUWROQL-FJXFDBCWSA-N 609.752 5.495 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214392940 DKOWUJMWXLWOGA-GTWSWNCMSA-N 572.665 6.519 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1CSc1nnc(C)s1 254450131 LFGUPLDFRWOWSE-UHFFFAOYSA-N 518.664 5.799 50 10 KKGE O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 254479688 JZDWVJFFIHELEB-UHFFFAOYSA-N 509.009 5.481 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 254749351 OGZPEHRESDMGCB-UHFFFAOYSA-N 530.580 6.411 50 10 KKGE CCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254795658 WDMSGMDOFVGPDP-UHFFFAOYSA-N 500.595 6.326 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CC[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)c2ccccc21 616589612 JHEKIFKTJCMHSU-AREMUKBSSA-N 511.899 8.572 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Br)c1cc(Br)c(Br)s1 712582370 SRLSCAPQCZVZCF-JTQLQIEISA-N 513.398 7.430 50 10 KKGE COc1ccc(CSCC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(OC)c2OC)N3)cc1 725427273 QYRRJXHOBJQUTB-UALAUUDGSA-N 557.716 6.313 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(I)c2)cc1 1083851357 JWBSQQNTHSUVEI-VWLOTQADSA-N 572.443 5.541 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1083934756 ZWSXWPYOZMAPAY-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N 1083935371 NRDGAGVCQFDZMG-UHFFFAOYSA-N 589.095 7.719 50 10 KKGE CCN(CC)c1c(C=NNC(=O)CCCNc2ccc(Br)cc2)c(C)nn1-c1ccccc1 1084016236 ROXUETWLOMNJEO-UHFFFAOYSA-N 511.468 5.132 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1 1084097001 NMDXRJBPDZGITA-UHFFFAOYSA-N 601.710 6.967 50 10 KKGE COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(Cc1ccccc1Br)O[Si](C)(C)C 1084294748 XWJNTQPWGWTJJN-IQHLRJQLSA-N 527.619 8.147 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084316443 RMINDNKAUVMFML-UHFFFAOYSA-N 599.496 5.375 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1 1084351720 ATHXETSFIIIKKE-XMMPIXPASA-N 606.432 5.381 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)o2)cc1 1084488412 NTFDSMKJWVTTGD-UHFFFAOYSA-N 600.480 5.776 50 10 KKGE Cc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772748961 FRVDFOMXUXQZOF-UHFFFAOYSA-N 501.366 5.658 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(Cl)ccc5Oc5ccccc5)c(C)c43)coc2c1C 1772751777 MTKXYTVCDJIXNJ-UHFFFAOYSA-N 596.083 8.048 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434916 FTUXKEAMZSWESO-NFJNGELFSA-N 677.433 6.812 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1848439770 NAVRDAMMDXOFKH-RJCDUZEUSA-N 649.118 9.804 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865686958 GDMHIQJGAZYWTL-GDLZYMKVSA-N 506.606 5.662 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865690969 GGRRCMREBXCHFM-OAQYLSRUSA-N 523.431 5.738 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865692526 MTNDZOWHBCHZHW-QHCPKHFHSA-N 557.876 6.061 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865693038 KUECDUAVXDCVRJ-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865697172 OOVCHKMJEOUFDM-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702324 SQKBMOCJOAIQSO-HSZRJFAPSA-N 565.830 6.380 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702445 ALZGMBPTYIVVJR-SSEXGKCCSA-N 552.650 6.527 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702862 HCYWSLPHLPLFNR-AREMUKBSSA-N 514.988 6.083 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1C 1865703508 WZGVOUDEBRCVTK-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703582 BVJGBXNDVULQPJ-RUZDIDTESA-N 517.416 6.539 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865703657 YIBQEWMEQQHHJF-XMMPIXPASA-N 550.968 6.709 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704489 XCSXOHXYZLKBPE-VWLOTQADSA-N 512.997 6.029 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(CN4CCOCC4)CC3)n2)cc1 1868528189 OXBOFHOJCZAUDJ-UHFFFAOYSA-N 530.698 5.408 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3c(Cl)cccc3Cl)nc2c1 1872728589 KNHXNTNWXFXJQZ-GZTJUZNOSA-N 536.371 6.081 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872755510 QZUMLGRSERKHHU-UCMOXVNCSA-N 503.580 5.331 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915077152 TWFUGABAPLCKKU-OAHLLOKOSA-N 504.060 6.028 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605514 SIFARYORPRDXDZ-UJURSFKZSA-N 537.859 7.450 50 10 KKGE COC1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493453 CBTPBZYOWBMNDU-SHOFKNTGSA-N 570.739 6.598 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085494966 OINXOOFDPZYYMX-NVNXEXLPSA-N 578.709 7.464 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccccc2Br)c1Br 2138851456 PMWQDOWFCSUBGH-AWEZNQCLSA-N 511.877 6.961 50 10 KKGE Clc1cc([C@@H](Br)Cc2ccccc2I)c(Cl)c(Cl)c1Cl 2143867955 IQFCTFBEUGMBKE-VIFPVBQESA-N 524.838 7.584 50 10 KKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1I 2146623632 WZGVMKYSFUNLJP-CQSZACIVSA-N 572.860 6.235 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)c(F)c1Cl 2201609111 UPXOPPDHJCEQNN-LLVKDONJSA-N 556.797 7.123 50 10 KKGE FC1(F)CCOC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396987 CWKZRRANNLBPCD-ANLVUFKYSA-N 606.719 6.844 50 10 KKGE CC(C)C[C@@H](C(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401240 WAVPKCADGVGGLR-ZANVPECISA-N 598.837 8.491 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)s2)cc1I 2257368865 KESUIGFWGCIMFR-CYBMUJFWSA-N 502.009 5.917 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc(C3CCC3)s2)c1 2271956575 VRLIFGBYDBGNJP-HNNXBMFYSA-N 512.048 6.867 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccc(I)cc1 2285075796 WMPGEYWLTZDOQK-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2293198175 DLUMBUQEOAESBY-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE O=C(C=Cc1ccccc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)cc1 2295113324 ZKXMHSPYCHILJH-UHFFFAOYSA-N 626.854 7.539 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 2295172691 ZECXZCYHWRBFJH-UHFFFAOYSA-N 527.396 5.080 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1C 2296729446 LDKVTQMRVLRVDU-UHFFFAOYSA-N 504.590 6.357 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 2313631733 UXGSHAYTMWXAQO-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Fc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1I 2314492138 VHPOUTJQUGQSCN-IBGZPJMESA-N 531.590 7.100 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314610718 LLJUVMWWZJYHQK-UHFFFAOYSA-N 536.676 6.747 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314616995 OOKWKFLRWCKAQP-HXUWFJFHSA-N 518.617 5.788 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314617140 RKVPRZKIDGCFSL-UHFFFAOYSA-N 534.660 6.562 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314619940 HKVRJBFRJNVILA-UHFFFAOYSA-N 512.993 5.763 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 2314634090 LASDARMJHPCKPV-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 2314634866 XQIRYJSGNMKHKZ-YTTGMZPUSA-N 554.643 6.356 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 2314737998 FJGVRXCQXZTIKK-UHFFFAOYSA-N 547.991 6.025 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(I)c1 2317773190 KEHCJMGYJUKTCY-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254667 MNKLFFDANSUOKY-UHFFFAOYSA-N 503.367 5.812 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331467668 SQIVPOOSHWSWJG-UHFFFAOYSA-N 503.451 7.767 50 10 KKGE Cl[C@@H](C[C@@H]1CC[C@@H]2C[C@H]12)c1c(Br)c(Br)cc(Br)c1Br 2333303876 XCDSPGFIJAJRBU-GLLZPBPUSA-N 536.327 7.453 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(I)cc1 2335287686 CBNXNFMLEDGBLP-LLVKDONJSA-N 538.807 6.984 50 10 KKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336047114 JNYQYRUWSBEFOJ-IBGZPJMESA-N 516.276 5.977 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2337081268 UGMAELHSNGHLLZ-SFHVURJKSA-N 563.486 8.067 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2358265492 UNBBFHIKYFRIMI-KATARQTJSA-N 594.805 7.999 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359121260 RYHQUGMIFLCIGG-MEUQOTJWSA-N 596.777 6.988 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Cl)c(Br)c1 2360426685 NSSNFRMRVJTBSV-NSHDSACASA-N 526.252 7.795 50 10 KKGE C[C@]12C[C@H](C1)[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362913075 QAPFGBTZTFURHR-GVSFJQIHSA-N 596.777 6.988 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(F)c1I 2365190734 HUBQUJDZMOHOHB-LBPRGKRZSA-N 536.379 6.731 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1C 38660901 CLEMTCRVDANDQB-WJOKGBTCSA-N 518.569 6.298 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1C 38684699 SMYVUOQGIYGXKW-SSEXGKCCSA-N 512.606 5.931 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 38688714 VQCUYYOMDUZDHP-MHZLTWQESA-N 510.546 5.894 50 10 KKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(Br)cc1 39852751 HEVWDPJITYKBDS-UHFFFAOYSA-N 511.807 5.430 50 10 KKGE Cc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1Cl 59166060 RYNHEBZYCRJLFY-MEFGMAGPSA-N 500.755 5.231 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 100236281 QEBFODJFLDQRMB-WGNDPNKDSA-N 545.861 6.044 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 100237870 CNQLOVOOYIEXGJ-SDKVIJGTSA-N 608.476 6.386 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1 100400546 KPHORVVJVUARSO-KQWNVCNZSA-N 567.907 9.112 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100452069 CCJFMXDPNHJZKU-NJUOBVAOSA-N 576.318 7.027 50 10 KKGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C(C)C 100870160 NOXZIIKGHFCFEC-GKPLWNPISA-N 543.421 5.562 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337719 JLBRGCKUBNFURO-MOEMHDQYSA-N 558.707 7.395 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101339393 IVFKAXZGNLWBLT-ZCTHSVRISA-N 534.619 6.793 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 101368404 PIXIGLSFOFYXSU-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101375344 KRKWFZIXUXGELL-KWQWTKBTSA-N 573.089 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379422 INWMAJDTQDLEAK-PGUFJCEWSA-N 599.086 7.875 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384241 CIGOCKRNWRMSTD-WJOKGBTCSA-N 550.586 6.224 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384410 JWHSLWHOBNEHEN-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(C)cc1 101387922 ZYDRBWYQYPCOLA-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101389118 YZXISMARPKBFIJ-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 101396558 OVPKFEHEGKKUSK-NDEPHWFRSA-N 543.019 7.401 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1 101697583 MBXRNLWJJQTHRG-LICLKQGHSA-N 546.646 6.990 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 101713145 AUYQQRGJNVFDEI-OPEKNORGSA-N 542.268 5.580 50 10 KKGE COc1cccc(CN2c3ccccc3C3=C([C@H](c4cc(Br)ccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1 102066720 HZOAIVKTQNULAZ-HSZRJFAPSA-N 568.424 5.123 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2nc3ccccc3s2)cc1I 103738763 LWDMFGJEAJGDDA-LGJNPRDNSA-N 538.370 5.115 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103881174 VMQXYBFVLMLGIS-HNSNBQBZSA-N 604.501 6.320 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150428734 KNJZMIFCJHOGNA-HHHXNRCGSA-N 734.847 9.442 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150430336 KJQGDBWAYODZLQ-ULFANGQISA-N 657.332 6.548 50 10 KKGE COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 150624998 UFSSOVYOWKPYQS-ZCNPPDOCSA-N 642.068 5.463 50 10 KKGE CCCCCCCC[C@@H](I)CCCCCCCCCO[C@@H](CC(=O)O)C[N+](C)(C)C 199668052 MGXTULRRIAGWSC-RPWUZVMVSA-O 540.591 7.228 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206501770 SCDJCUSOBGHUFE-LKFJRZABSA-N 506.599 5.323 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(=C\c1ccccc1)c1ccccc1 206686892 JDYAQSZXCXSDSN-WSQVWPRESA-N 518.569 6.048 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214309349 KHDIMMOYUSUYQY-XYGWBWBKSA-N 502.611 5.380 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214311445 SPCHIHAFKXYARE-MWLSYYOVSA-N 557.654 6.070 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214341049 UTGIICBDXOVCCF-VZZDOBOISA-N 570.693 7.236 50 10 KKGE N#C/C(=C/N(c1ccccc1)c1ccc(N)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216499220 JXYKHKFNTUFKKT-FVDSYPCUSA-N 513.645 5.748 50 10 KKGE COCCOc1ccc([C@H](Br)c2ccccc2I)cc1Br 229016212 WYNOHOSUSUMLKT-INIZCTEOSA-N 526.006 5.563 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cccc3ccccc23)c1 232482170 GEEPNCWJXIIYGI-QGZVFWFLSA-N 501.987 6.691 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1csc2c(Br)cccc12 232482978 RMPVPLTWVVGNIC-CQSZACIVSA-N 586.912 7.515 50 10 KKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)s1 232483958 UFWWSGZTAWEZSD-LBPRGKRZSA-N 547.888 6.291 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(N4CCCCC4)cc3)c3ccccc3n2)c(OC)c1 252590341 ARRKMQMDCFWWAD-UHFFFAOYSA-N 508.622 6.063 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccccc2)cc1 254818417 IADPHFACCTWFTQ-XTQYNGJDSA-N 548.466 5.573 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1 254856893 XQLOTRSMXJLBLE-UHFFFAOYSA-N 544.655 6.979 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586676 HKOFRLLVGWKTHV-XKRYSZRTSA-N 560.801 5.253 50 10 KKGE COc1ccc(CC(=O)N[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)C(=O)N[C@H](C)c2ccccc2)cc1 725238379 RIQKIGMWWKSRPJ-BTYSJIOQSA-N 546.784 6.227 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 725425228 VOQPTGAEUUEUSK-UHFFFAOYSA-N 597.140 6.907 50 10 KKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 725426350 UDIMNCXNMIRHKJ-UHFFFAOYSA-N 629.522 5.383 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2cc(C)cc(C)c2)cc1OC 725439772 AFXJDBMSZZOCKQ-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CC1=CC(=NNC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 1081818016 NJXPVAVICLRJJI-BHBFABKRSA-N 545.765 5.847 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083914245 DITVNHWHLUCOBC-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1083936102 GNBGCOBOWRBYLR-UHFFFAOYSA-N 566.054 5.712 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl 1083943309 NLLICHYXNYWVKA-UHFFFAOYSA-N 628.954 8.220 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2ccccc2o1 1083959503 YPKYSMKVTFWQJU-UHFFFAOYSA-N 565.194 6.687 50 10 KKGE O=C(NN=Cc1c(F)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084095480 VRUFNLZEEJDQLV-UHFFFAOYSA-N 518.632 5.668 50 10 KKGE Cc1cc(Br)ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 1084190374 NQVRRJGMYVZIPD-UUYOSTAYSA-N 586.486 7.939 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 1084249490 DLKOBNWURBXIBV-XKZIYDEJSA-N 523.589 6.877 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 1084285296 LTAMANMRSCRGGA-UYRXBGFRSA-N 511.803 6.626 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Br)cc1 1084318562 JPBGXAKSAVWSRO-UHFFFAOYSA-N 637.122 7.072 50 10 KKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1 1084337903 CCLSWYXROJEAJB-UHFFFAOYSA-N 542.705 5.095 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(Cl)cc1 1084357578 NOPURIGEQKGFMP-LPYMAVHISA-N 578.894 6.827 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 1084359195 RRCSURVVGUJEMW-SANMLTNESA-N 547.449 6.154 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc(F)c4)c3C)sc3c2CCCC3)cc1 1084385121 OAUVLNWQQZTPEU-UHFFFAOYSA-N 528.653 6.498 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)COc4ccc(C(C)(C)C)cc4)cc3[N+](=O)[O-])sc2c1 1084501331 JCYOUSDMGPHLIJ-UHFFFAOYSA-N 564.689 6.581 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084588497 GRTDWSZUQZQUGH-UHFFFAOYSA-N 641.143 8.006 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653477 RCEOSUWHCUFDEN-WDJISFPHSA-N 549.618 6.626 50 10 KKGE O=C(NN[C@@H](c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1615946112 BHSNWJAECMHGKS-VWLOTQADSA-N 580.726 7.600 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772745336 XBKAJSFBHAYSIX-UHFFFAOYSA-N 504.543 5.398 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865688692 YKLIWYRBXRHUEW-NRFANRHFSA-N 510.903 5.984 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865692306 DSPNWGRZFIAPDQ-MHZLTWQESA-N 541.051 6.988 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865695761 SLGFJXNRQDIPEG-MHZLTWQESA-N 522.605 5.541 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696916 UFFFCNSQCACAHU-LJQANCHMSA-N 550.240 5.495 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704298 SAXLTTIXQIKVCD-PMERELPUSA-N 551.021 6.983 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705371 UEAFVBSLRFMTDF-QFIPXVFZSA-N 527.408 5.608 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705551 YWTZMEYBBFYQTI-NDEPHWFRSA-N 538.623 6.137 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712240 SUUHSBLURGSNON-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5ccccc5nc43)n2)c1 1868505869 LZCMVIDVXXIISP-UHFFFAOYSA-N 502.603 6.711 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1872751662 RKNRRIHDVUQPSY-UZYVYHOESA-N 510.015 5.988 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 1872757898 BDBSCSMEBSTLSQ-FXBPSFAMSA-N 507.955 6.415 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccccc3Cl)n2)cc1OCCC 1872818272 UXNNLUVFAVPZGI-ATJXCDBQSA-N 513.059 7.693 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)cc2Br)c1Br 1922896888 JEAANHDFCHNPEN-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Br)cc2)c1Br 1922898005 RKQQEGAZAMHCPG-SNVBAGLBSA-N 517.906 7.023 50 10 KKGE Clc1sc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2004902422 LOJCLVAWLCVCDS-YFKPBYRVSA-N 564.771 7.888 50 10 KKGE C[C@@H]1C[C@]1(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025784366 UOHFLQZBCNQXRL-CKHLCZOGSA-N 514.252 6.765 50 10 KKGE FCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085493701 FWPAIVFAXMBTCB-LLVKDONJSA-N 528.279 7.156 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1csc(Br)c1Br)CCO2 2093947964 NUAIOVQCWJAUOK-LLVKDONJSA-N 531.889 6.455 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCOC[C@@H]21 2141468273 IPNLRYSRXLXCHC-GFWYMSRTSA-N 538.299 6.299 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141468378 JLQNTZKIYGBSPK-NSHDSACASA-N 601.156 6.561 50 10 KKGE C[C@@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141478640 YOWYQXNRBBSCCJ-OIBJUYFYSA-N 540.359 8.089 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCOCC1 2173207832 DHISFKUWPKVAQB-SSDOTTSWSA-N 565.869 6.831 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c1Br 2192383727 BFYBCEIHXRNIQG-LBPRGKRZSA-N 529.896 6.063 50 10 KKGE CC1(C)C[C@@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206394355 GWAUTYAPPLEMOD-HTQZYQBOSA-N 598.793 7.378 50 10 KKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396979 CQCPIFKKYGFCAF-RWEMILLDSA-N 596.821 8.245 50 10 KKGE CC[C@]12CO[C@]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206403483 ZYPZOOMULNUOGU-MCIONIFRSA-N 596.777 7.132 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206410353 XHOVAGKBWXFWTR-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE COCCc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2207273391 UOZFLWVZBCIDOX-MRXNPFEDSA-N 510.007 5.727 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(I)c1 2218597642 OHQXLDMBYWLEJQ-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2Br)c(C)c1Br 2227353973 VMPQBKCRHFCYEQ-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2csc(Br)c2Br)cc1Cl 2279140871 CFMISEJPINQOCN-LLVKDONJSA-N 505.453 6.428 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C 2296704193 TZQMKCVQWBAXTL-UHFFFAOYSA-N 641.131 7.115 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OCC)c1C 2296789966 FWDWFALMYKFYQK-UHFFFAOYSA-N 512.569 5.418 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1OCc1ccccc1 2297449086 BUYIZIAWOFCTLV-UHFFFAOYSA-N 506.671 8.510 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCCCCCCOc1ccc(C=C(C#N)c2nc3ccccc3s2)cc1OC 2297612518 UOUAPQXSDRAYLM-UHFFFAOYSA-N 698.870 10.070 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1Br 2300953300 HXZHQZSJFPFWBI-NSHDSACASA-N 506.428 6.561 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521336 HLRKOHZJPIBBRC-UHFFFAOYSA-N 547.674 7.907 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1Cl 2313567682 MHIYMJOYKGKFCU-UHFFFAOYSA-N 528.052 5.912 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 2313568553 UOWSYPSIGCDLKR-UHFFFAOYSA-N 605.124 7.407 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 2313631243 MRLKMZQXLFENPL-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2314488836 PJPURMRDAYHVKB-UHFFFAOYSA-N 512.543 6.096 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592311 QMPGRLMITIUCJR-AREMUKBSSA-N 584.063 7.856 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1F 2314611041 PCTDUWKNPXNUOL-FQEVSTJZSA-N 526.612 6.248 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617971 DXHIUPFOKMBPQW-XMMPIXPASA-N 524.646 5.423 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618549 PKFWFTPCCRCRSZ-XMMPIXPASA-N 542.639 6.682 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646786 NYIZNYDSTISMGT-JGCGQSQUSA-N 666.759 6.035 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2317772257 AMKRPTJXZSKIIZ-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 2328799225 LOZCRIJWUVOBJM-NRFANRHFSA-N 502.011 5.167 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(OC)c1 2331385426 CKQCTFKCIRRUDC-GFCCVEGCSA-N 521.820 6.503 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c(C)c1 2331392990 CJQIGLHEWXAVTN-UHFFFAOYSA-N 506.587 5.876 50 10 KKGE Cc1ccccc1C(CBr)(CBr)Cc1sccc1I 2338756413 ZBEBKWSZHYEZQH-UHFFFAOYSA-N 514.064 5.931 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)c(Cl)s1 2339657379 XONZEZZUPFQHPV-SECBINFHSA-N 556.314 7.621 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1O[C@H]2CC[C@H]1C2 2352547512 DLZIAFUFWWPCRR-TYJPWROHSA-N 538.299 6.584 50 10 KKGE Cc1cc(I)c(Oc2c(CCl)ccc(Br)c2Cl)cc1Cl 2361704494 RVVJEYLWTFGZSR-UHFFFAOYSA-N 506.392 7.200 50 10 KKGE CCn1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2362228556 OGZIYFASCAVEBX-SNVBAGLBSA-N 509.826 6.311 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc(Br)cc(Br)c1O 2839109 PZZRYQPNPWJWNX-BRJLIKDPSA-N 534.204 5.025 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1 14649907 PLZCHRFYLWGENA-UHFFFAOYSA-N 511.416 5.019 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)sc2c1CCCC2 33352350 XNBPSFRXNJPKKD-JCMHNJIXSA-N 501.652 6.374 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCCC(C)C 38684352 ARVIKZBXVHTXKZ-SSEXGKCCSA-N 512.606 5.876 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 38688724 VFDNYMQGFYEQLI-MHZLTWQESA-N 524.573 6.203 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701270 UJEPXKDLWMETLE-MHZLTWQESA-N 512.537 6.497 50 10 KKGE Cc1ccc2cccc(Oc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])c2n1 40618672 MUDUALXPDWJKGH-UHFFFAOYSA-N 506.522 5.309 50 10 KKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815465 PAGFLUDEFKEPSE-JJNGWGCYSA-N 505.618 6.391 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc6ncccc56)c(C)c43)coc2c1 40827033 ULJHYMYNLUZLOE-JGRMKTMXSA-N 520.589 6.151 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(CC)cc1Br 100185824 MNCSDDGPIOLNFV-UHFFFAOYSA-N 556.295 5.573 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 100236002 XVQCEESKDJWGID-POBUXNOSSA-N 620.338 6.162 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 100237809 HZVJMIDKBHEEKF-SWOYFSSUSA-N 603.413 5.141 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(Br)c1O 100437497 VZOOXHQLXIFTCF-RWPZCVJISA-N 524.415 5.477 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242491 LZGNCEUJVSVFRS-BDPHVXEFSA-N 542.444 5.728 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 101245568 JZAQLGKBLXATMD-SCHJHDHGSA-N 584.063 7.856 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101361846 XFHAHDOQENNJOJ-SANMLTNESA-N 525.388 5.985 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101364861 JWKHIJCAQQVODA-NRFANRHFSA-N 516.178 6.193 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369223 VCVSOSQHKCYYCZ-GDLZYMKVSA-N 524.960 6.335 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101374138 LQRPHOWMTPDINX-UUWRZZSWSA-N 574.677 7.220 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 101376270 JVQSWAYFUNVVSY-MUUNZHRXSA-N 529.549 5.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379528 ZFODOLCLUGLGCR-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1F 101386838 WCWAMDXMPUDRSV-XIFFEERXSA-N 580.612 6.233 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101390844 DRUFKCLDHFLVRH-MHZLTWQESA-N 573.443 7.120 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101398354 NMYOWMOSHHNRNQ-XZWHSSHBSA-N 566.997 5.883 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 101398448 SEFDYDCJYNAXTL-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 101733641 HWZFAAPMJZWWPB-CPNJWEJPSA-N 537.410 5.547 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 101762464 RJHBGHCEGZMRDR-KGENOOAVSA-N 543.458 5.779 50 10 KKGE COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 102738569 RGZNKSGYMAZWFW-ZZIIXHQDSA-N 548.621 5.060 50 10 KKGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 102994957 HHEIMEHHAMLTGK-JXAWBTAJSA-N 586.630 5.324 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1I 103722223 JXVYLPTUZGQQOB-KVSWJAHQSA-N 580.209 5.578 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 103879566 IKDMNTSFCQFDNQ-HZQMBONKSA-N 604.150 8.576 50 10 KKGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 105626913 MVDBEEPOAPOHBN-QDTIIGTASA-N 563.235 6.088 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5c(Br)ccc(Br)c5C4=O)cc3)ccc21 105681946 SKJMXIFKSVRQEX-UHFFFAOYSA-N 543.123 5.115 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(I)c2)cc1Br 128805221 LVYRHLHKLGHDNI-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)cc1 205783005 KNQBPFZLOTYQTP-VFJYWVOVSA-N 660.752 5.096 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214336701 XUSALUZJAVPHQU-FVEJEDPZSA-N 528.612 6.210 50 10 KKGE COCCOc1ccc([C@@H](Br)c2ccccc2I)cc1Br 229016202 WYNOHOSUSUMLKT-MRXNPFEDSA-N 526.006 5.563 50 10 KKGE C/C(=N/NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 229711084 IVSAOYOKGQGAQG-IMVAHACLSA-N 577.710 5.644 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(F)cc1I 234866361 XBLYAARKQDKZKV-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253588352 YPNOPKDREFSCOE-CQZOXXEXSA-N 904.120 8.120 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 254590395 SLYYMKOWZGRACD-UHFFFAOYSA-N 511.529 5.204 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)sc2c1CC[C@H](C)C2 254745772 NVSBDFFQQOGHME-IBGZPJMESA-N 583.666 5.511 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1 254895781 CSOITYUOFPXIIQ-UHFFFAOYSA-N 527.675 5.358 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C(C)(C)C)cc1 256028644 ZXPFBVAFZOZINS-UHFFFAOYSA-N 560.745 6.723 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)cc1 616667763 CYTSOTQZIALFJL-GDLZYMKVSA-N 525.926 8.767 50 10 KKGE Brc1csc([C@@H](Br)c2ccc(Br)c3ccccc23)c1Br 705464369 OBXSEZXLXNWRST-ZDUSSCGKSA-N 539.912 7.673 50 10 KKGE CN(C)c1ccc(CN2CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)cc1 725237746 MXNWYJHCEZZYBI-AREMUKBSSA-N 579.088 5.490 50 10 KKGE CN1CCN(CCCOc2ccc([C@@H](C(=O)Nc3ccc(-n4cc(CNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)nn4)cc3)N(C(=O)CCl)c3cccc(C(C)(C)C)c3)cc2)CC1 725238526 LSCMDDVUTVJIOG-QDPHNKLRSA-N 913.590 5.875 50 10 KKGE COc1cccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(Br)cc1 725386705 DRTXSTFVISLREK-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OP(c2ccccc2)c2ccccc2)[C@H]1OP(c1ccccc1)c1ccccc1 1073242229 VDNNRBDPKKKMFA-PQFYTDCXSA-N 650.648 6.338 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084047871 DIGGRTFZGRCSHA-UHFFFAOYSA-N 615.351 5.526 50 10 KKGE CC(=NNC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084069300 MJZJJICVGFARRE-RLPNJSHFSA-N 536.528 7.843 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(OCc2ccc(Br)cc2)cc1 1084086395 MUQRHRUXBOXSAB-UHFFFAOYSA-N 549.852 7.024 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 1084086444 DJPOFTHBDPONAF-HSZRJFAPSA-N 511.416 5.309 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C)cc1 1084141269 YHUCZNXBUDMAOT-UHFFFAOYSA-N 527.802 6.509 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084202021 MKQGMRCNEAPRDR-UHFFFAOYSA-N 640.319 7.149 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1 1084234028 QOFLFOMYBFOSOC-UHFFFAOYSA-N 558.226 6.309 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Cl)c1 1084343220 KUUPDTLDUUFLLC-UHFFFAOYSA-N 504.059 5.729 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(I)c2)cc1 1084399076 MYPHXSFIZJWQGC-XMMPIXPASA-N 558.416 5.233 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084539746 DAPVWCUKYOTROR-QFIPXVFZSA-N 545.817 5.344 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 1772754633 MFPJTTJMQQIGJR-UHFFFAOYSA-N 525.443 6.223 50 10 KKGE CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 1848665522 UISXOAJBTYXLPL-JNKTUOFUSA-N 633.701 6.787 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cccc(Br)c1 1865684021 LHXLIIFEZUNYQQ-VWLOTQADSA-N 519.402 6.673 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687779 AHTCNBAYOWQXPN-LJAQVGFWSA-N 538.623 5.871 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690261 MZZMTKVOPNVJMY-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865694147 UTPBIKSTWONHLJ-LJAQVGFWSA-N 534.660 6.703 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694635 YCDCGWOVRCZPEO-LJQANCHMSA-N 523.342 6.264 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700153 LXQXRSRAFOBLEB-QFIPXVFZSA-N 504.377 5.527 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865705035 KKEMULRFGKQXJK-LJQANCHMSA-N 523.342 6.262 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706987 KOSKYXCUDYLPPJ-MHZLTWQESA-N 564.086 5.342 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865709620 YKDWZUOUEKUDQR-DEOSSOPVSA-N 526.980 5.265 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711456 ZABXVHZDVSQLBN-JOCHJYFZSA-N 522.914 6.438 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 1868301768 XIDXRXBKZRVMTL-UMSFTDKQSA-N 570.766 8.934 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)n2)cc1 1868321110 VUXBLJXVSKQGTH-MUUNZHRXSA-N 519.718 8.408 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n1)C2 1868545126 RXODHIPUEPAPKL-UHFFFAOYSA-N 579.770 8.073 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872754598 ABJITCWQKBCUHS-VHBBHFJJSA-N 517.607 5.721 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)c1OCc1cccc(C)c1 1872794106 KQRKFODEGJYKDK-LPYMAVHISA-N 517.050 7.741 50 10 KKGE CN(Cc1ccc(Cl)cc1I)C[C@@H](Br)COCc1ccccc1 1901945409 BDKKRAWMPARGCF-MRXNPFEDSA-N 508.625 5.357 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)ccc2I)c1Br 1922887154 MJRCBPMXQHKOMC-JTQLQIEISA-N 585.324 7.324 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)Cc1ncccc1Br 1924862169 UMVKRMKXVRDFTR-GFCCVEGCSA-N 545.838 5.890 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)sc2Br)c(Br)s1 2003567335 DHRKKYRYINCTRW-ZETCQYMHSA-N 524.923 6.539 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csc(Br)c2Br)c1Br 2136373138 ADMRFZQHZSFUFN-NSHDSACASA-N 596.802 7.899 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2sc(Cl)cc2Br)ccc1Br 2154476297 VLJBMFVLTXCXNI-JTQLQIEISA-N 513.398 7.430 50 10 KKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1cc(I)ccc1Br 2179634926 AJBRRTUYSCKIQR-MFKMUULPSA-N 515.027 5.127 50 10 KKGE Cc1nn(C)c(Br)c1COc1c(Br)cc(Br)cc1CBr 2185794097 JBCBEXFQMUKGEN-UHFFFAOYSA-N 531.868 5.490 50 10 KKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399005 BFTWGCJJMUGIOM-LWINAJNOSA-N 598.793 7.235 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2225615354 GPIBCLVAXREIMD-ZDUSSCGKSA-N 580.709 7.360 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1csnc1Br 2234069236 RJIRNGUIVLDQLM-RXMQYKEDSA-N 500.441 6.069 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243591295 RMPWZLRLEGHBOY-HNNXBMFYSA-N 506.609 5.761 50 10 KKGE Clc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sc1Br 2263450982 SMRBMGFXKHCIDS-SECBINFHSA-N 538.324 7.368 50 10 KKGE CC1CC(CC[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2274616257 UEKHXWGKBYXOCR-HACHORDNSA-N 582.794 7.999 50 10 KKGE Clc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2278102040 QMBQRRSFGLIGDA-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1Cl 2283586413 YRUMTAPYUNNSKO-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293198252 NIHMRBKPSUPJDZ-DEOSSOPVSA-N 506.002 5.264 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293860145 WBUHPAHBCMHESO-VDKFGBPCSA-N 575.039 9.815 50 10 KKGE Cc1c(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 2297453417 BMAJEVFWGDPFGZ-UHFFFAOYSA-N 518.642 5.981 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)oc1Br 2299503581 GYBFFWXNGAATDB-SFHVURJKSA-N 515.039 7.176 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571403 VOLFCVSIPBIOET-UHFFFAOYSA-N 696.981 8.792 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1 2313738918 YLYZMCRWHUNRJI-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 2314475913 FOGMNEXDEBTEJH-UHFFFAOYSA-N 565.699 5.958 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314501046 TVIQZLODMOONTC-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593095 HLPOWKMHRFCKSL-CCLHPLFOSA-N 530.093 6.767 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314610601 JXYYGJUBTNHBPF-QFIPXVFZSA-N 540.623 5.964 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C(C)=C(C#N)C2=O)cc1 2314619727 DHAMQYVNADQYNQ-UHFFFAOYSA-N 600.719 6.726 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 2314643119 CHIMQCOHEMXGJY-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 2314646650 HYHZXOQZCFSREE-NDEPHWFRSA-N 697.213 6.297 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccccc1Cl 2321721467 LKGTYTQOCLUMEY-IBGZPJMESA-N 502.011 5.025 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 2321721579 OBWNVYRLKZJGDJ-HXUWFJFHSA-N 502.011 5.025 50 10 KKGE CCOc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OCC 2324602994 OAAJVBMSULZFEN-UHFFFAOYSA-N 510.638 5.237 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1C 2331370219 NPRHJPQGTNVXGR-UHFFFAOYSA-N 509.587 6.383 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 2331398474 YWVIWPMDVGDOMC-IBGZPJMESA-N 508.043 6.443 50 10 KKGE CCc1ccc(OCCCC(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)c(Br)c1 2331560240 JPCZUKATSCDEAS-UHFFFAOYSA-N 505.434 5.893 50 10 KKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2343017523 PTCPBMYJQXQNEX-GPGOKOMYSA-N 503.428 6.423 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(C)c1Br 2360438397 VSOQAUPRPZOKMM-NSHDSACASA-N 525.890 7.820 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)cc(Br)c1 2360491940 IRNZTMMSBWRPPQ-LLVKDONJSA-N 570.703 7.904 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362227322 CTPVYMLTHCPQQX-NSHDSACASA-N 601.248 7.232 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363839944 ZBHDKXQLFUWQMY-JUWDTYFHSA-N 519.402 6.474 50 10 KKGE BrCCCCCCCCCOCc1cc(I)ccc1Br 2367270361 DJCFDKXVORILRM-UHFFFAOYSA-N 518.071 6.696 50 10 KKGE CCCCCC[C@H](I)CC[C@H](I)CCCCCCCC(=O)O 11616646 ITMYMILZKSEQKJ-DLBZAZTESA-N 536.276 7.160 50 10 KKGE in-man O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(-c2ccccc2)cc1 14665511 YLBCLRTXYCRIFS-UHFFFAOYSA-N 515.407 5.812 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 16789801 UGJUEWFASJJTGC-CKVBZJJFSA-N 512.393 6.197 50 10 KKGE CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CCC(=O)Nc1ccc(I)cc1 27498133 QJPJKSZFHKCNHH-LCKYRVOGSA-N 503.384 5.339 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1C 38651528 IQOLDNINSADYCF-VWLOTQADSA-N 505.368 5.269 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684666 AYECKKOHVDCCDX-LJAQVGFWSA-N 514.578 5.323 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 38686818 YDCKJZFIRILSEF-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OC)c3OC)c(C)c2c1 38688643 SYZUWDZPFQMBLG-SANMLTNESA-N 510.546 5.758 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1)CC3 39881557 YHAIQZCPIJZQBV-UHFFFAOYSA-N 521.404 5.384 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 40910990 MFPJTTJMQQIGJR-RDRPBHBLSA-N 525.443 6.223 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 100328017 OARQCDREKNHXII-KJTWNORHSA-N 594.449 5.996 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 100452930 HJZQASDRKQLBNC-OADPBGPJSA-N 583.253 6.141 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101293380 XKNRTFYMUUVWMZ-XIFFEERXSA-N 574.633 6.585 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 101336116 RMFODBVFMCCXDV-CIAFOILYSA-N 529.420 5.600 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362626 LRBBOIQFCAUOMB-WJOKGBTCSA-N 532.596 6.492 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380793 CIRVBESDWAOIKV-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384595 FZPSAXVHXXDDAK-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(C)cc1 101385165 VKGWLDGAOIABCH-SSEXGKCCSA-N 597.465 6.783 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1F 101386627 RNQVNSCKRMWMOL-JGCGQSQUSA-N 566.585 5.924 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101386727 CSEUVKRQKUCIMA-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101390833 HNIJMSMPBWBBPK-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(Cl)cc6c5C)ccc43)c2)cc1 101398267 HVAPXTXFRBBRGH-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCCc1ccccc1 101766318 KYYNIXLWXDUGIC-UXHLAJHPSA-N 539.470 5.906 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 102934507 BWCPAPJQTZKTLY-UNOMPAQXSA-N 569.355 5.723 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1 103796799 HLKATDQQYMSVMV-XAZZYMPDSA-N 612.705 8.107 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 104988916 SOJNIIRROVLDMJ-ABLLEORMSA-N 532.482 5.861 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1 150430490 SFKZEOVWXOUWJN-DOCWCXJCSA-N 698.339 6.146 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 150430702 APHPORLBZMEGHS-JFFJSXPNSA-N 667.338 6.004 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 150441790 HJWSNOCYQWQWMY-XIFFEERXSA-N 631.512 7.482 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1F 150484838 LUOGHXRDQSBCPS-RUZDIDTESA-N 724.783 8.883 50 10 KKGE O=C(CCl)Oc1cccc(-c2c3nc(c(-c4cccc(OC(=O)CCl)c4)c4ccc([nH]4)c(-c4cccc(OC(=O)CCl)c4)c4nc(c(-c5cccc(OC(=O)CCl)c5)c5ccc2[nH]5)C=C4)C=C3)c1 150664275 PAJBQIXBJASBAS-UHFFFAOYSA-N 984.676 11.900 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2ccccc2c1 164643248 SPXBTNJCMQJZPR-BKATUZMVSA-N 705.596 8.952 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205657608 IIHIOIKUDHYJJQ-RWKWVMDUSA-N 580.725 7.789 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 214363665 ZOVOLAWIRJQJQC-ONUIUJJFSA-N 538.623 6.392 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214384054 MWYIHISJCONWMM-DICXZTSXSA-N 556.622 5.986 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 214406814 UIAGGDZXWCVOMH-RHANQZHGSA-N 546.602 6.178 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 215781225 LAVSLNMQPNHPSL-YZWXGYMNSA-N 697.001 9.876 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(C)oc2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254492224 GQTKUHUXKLGMFN-UHFFFAOYSA-N 503.477 5.095 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3c(OC(=O)c4cccc(C)c4)ccc4ccccc34)cc2)cc1 254518137 KLEWIWRKTHBOLM-UHFFFAOYSA-N 528.608 7.019 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc3ccccc3cc2O)cc1 254615107 SHSJJQTYHROOJF-UHFFFAOYSA-N 504.542 6.080 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(I)cn1)[C@H]2Br 256019335 VEVZMXUHVGMRRW-LKTVYLICSA-N 606.922 5.311 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 256019420 QGKIGFYYEOGTJL-NZODYPKBSA-N 597.741 5.351 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cccc(I)c2)c1Br 312017935 UGYNVMKMQPIQGT-VIFPVBQESA-N 525.953 6.618 50 10 KKGE C[Si](C)(C)Oc1ccc([C@@H](Nc2cccc(F)c2)[C@@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 607716101 CAVKYMAXMVRYGQ-GOFGAPPUSA-N 716.974 10.041 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591396 YXADDVIQROVGOJ-HPAIXVDQSA-N 630.892 6.196 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2CC[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616595102 VFIYPSIRQFNWRP-NDEPHWFRSA-N 511.899 8.724 50 10 KKGE COCc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)s1 688079968 SKHMYXNFYYGBGD-LBPRGKRZSA-N 536.454 6.352 50 10 KKGE C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3OCOC)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F 725238060 CFUPHMCMJQFWEG-DXURUGBOSA-N 917.279 12.198 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 725395027 PDUMGMRPDCLJSK-UHFFFAOYSA-N 652.571 5.169 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1083899709 OFUPROVEVXOJMV-UHFFFAOYSA-N 657.929 7.419 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 1083914404 UZCZVHLBYOAGAN-UHFFFAOYSA-N 546.092 6.506 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1C 1083918949 VUHBNMCFFZZPKR-UHFFFAOYSA-N 607.574 5.815 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N 1083972497 VMRQYCNKIZCVGX-UHFFFAOYSA-N 619.519 7.438 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C)cc1 1083973883 YYXAQUZEXWSGBZ-VCHYOVAHSA-N 593.248 7.040 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084010452 QNKDTCJLMBWGDZ-GIDUJCDVSA-N 672.100 7.214 50 10 KKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Br)cc1 1084254514 OKZIWYLBNJNOTM-UHFFFAOYSA-N 525.244 6.287 50 10 KKGE COc1cc(C)ccc1C(=O)NN=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 1084259792 WTLJYXLOZGYYBO-UHFFFAOYSA-N 554.716 6.676 50 10 KKGE C[C@@H](C=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]23C=C[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@]12C)n1c(=O)c2ccccc2c(=O)n13 1084288658 CFLHTDQMABEIIR-XJJDRSDKSA-N 602.892 6.995 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1084385171 DYZYACGGNMHOAQ-UHFFFAOYSA-N 682.740 5.550 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc(C)c1 1084447039 DJOWUMFREMODOP-UHFFFAOYSA-N 547.449 6.974 50 10 KKGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1 1084452881 NYKBCQNTPMOTKT-FQEVSTJZSA-N 613.523 5.305 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 1084496995 RLMIWOCKJYGVPK-DEOSSOPVSA-N 555.425 5.089 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc(C)cc1 1084558656 ICBGPIZQHLWKFC-SFHVURJKSA-N 574.492 5.010 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 1084599945 RVMLSHFMPKYZAX-HHHXNRCGSA-N 502.611 5.365 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1F)c1cc2cc(Br)ccc2o1 1084628229 HHHYTNYUBNOSFD-UHFFFAOYSA-N 546.190 6.440 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084636215 SOYCFBIUGMWIAM-SDNWHVSQSA-N 503.805 6.791 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084651829 PKCCMVNHWXUEFF-UHFFFAOYSA-N 701.938 7.047 50 10 KKGE O=C(Cn1cnc2ccccc21)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 1084656355 BUZWJRRMFMQNFL-UHFFFAOYSA-N 538.405 5.019 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614613644 FVNGPHGJSKRUCD-QAPCUYQASA-N 510.272 6.471 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685214 FUQLCRVUMOSRBX-JOCHJYFZSA-N 558.252 7.380 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688438 RYSVMZIXOFHEFR-FQEVSTJZSA-N 574.273 5.672 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865690967 GFGLVJXIMLFZFG-VWLOTQADSA-N 541.479 6.927 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694015 SYZJBRPWZNQNFM-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695025 HZZICJWZKPPXAB-NDEPHWFRSA-N 575.496 6.915 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc(Br)c1OC(C)C 1865696976 MHHPIHUWHGRRJC-HSZRJFAPSA-N 523.431 5.325 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Br)c(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697985 HKSHAZKDLCPGOI-QHCPKHFHSA-N 567.484 5.991 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl 1865702865 HDQHFZCEYGIRGV-NDEPHWFRSA-N 577.468 6.692 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705090 LWOALFQJSPIOLE-DEOSSOPVSA-N 555.462 6.244 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005367 VNYRPOSBAXYESE-KAYWLYCHSA-N 518.082 6.553 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@@H](C)c3cccs3)CC2)n1 1868301712 VOYZNCKDANYVIA-NRFANRHFSA-N 512.708 6.714 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)n2)cc1 1868320175 DUDCNVIHXSANPF-AREMUKBSSA-N 510.598 5.585 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@@H]3C3CCCCC3)nc(-c3ccccc3)n2)cc1 1868365712 VDVVZYJXGCFMNQ-XIFFEERXSA-N 556.739 8.626 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1 1872744482 UPPAPWZEWKIXCX-DAFNUICNSA-N 511.990 6.776 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754132 DQUWPIMQOBACCZ-RGKGDZEFSA-N 501.608 5.939 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(Br)c1 1872756838 CTEOEQPOAJVSIO-ATJXCDBQSA-N 511.485 7.712 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)cc1Br 1912979451 XOAFUKHEYYLWBV-LLVKDONJSA-N 518.894 6.532 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915127473 RXURUKBOVMCFEB-LLVKDONJSA-N 510.089 6.089 50 10 KKGE COc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924596859 UVTZQKGWOKEJRP-MRVPVSSYSA-N 533.905 6.723 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1Br 1924596969 WCHDRCUWGQABEQ-IQJOONFLSA-N 529.917 7.275 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1sccc1I 1925569237 RIAKXYGAWQOYBG-YFKPBYRVSA-N 532.875 6.968 50 10 KKGE C[C@@H]1COc2ccc([C@@H](Br)c3ccc(I)c(Br)c3)cc21 1925679290 KZKWKRVPOUQJQO-JDNHERCYSA-N 507.991 6.034 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)sc1Cl 1950177857 NSKNAXGRIVCKQV-LURJTMIESA-N 520.320 7.732 50 10 KKGE Cc1cc(Br)sc1[C@@H](Cl)c1ccc(I)c(Br)c1 1950215594 RSTHNGBVJRJIKC-NSHDSACASA-N 506.428 6.514 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2033090484 GKQYHCJBWAOHSI-ZDUSSCGKSA-N 517.906 7.082 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cnn(C)c2I)c1Br 2083329623 GBXFIJKZZIHRHB-LLVKDONJSA-N 504.391 5.186 50 10 KKGE Brc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)c1 2094672556 ACJQIXZIIXTJOK-ZDUSSCGKSA-N 529.917 7.397 50 10 KKGE CC(F)(F)C(C)(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468970 PQEJAXWAVHHWLE-SNVBAGLBSA-N 548.285 7.698 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2142287573 NSNVHHGGPLTBKU-CQSZACIVSA-N 514.064 6.897 50 10 KKGE COc1cc(C)c([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2198725732 BUGCZXDGCVWLAX-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206395449 OGMCAFDDUOWPHW-NSHDSACASA-N 676.060 8.637 50 10 KKGE C[C@@H](c1ccccc1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398316 TXJGLYSGAJWPHJ-SDBXPKJASA-N 590.773 7.976 50 10 KKGE Cc1ccc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406028 UIOFJCQPMUOINO-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(I)c(Cl)c1 2208041289 YBKDWRXGNKIMQC-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE C[C@H](COCc1ccccc1)Cn1c([C@H](C)Cl)nc2cc(Br)c(Br)cc21 2225687993 SLYGNTZBBFJJGU-KBPBESRZSA-N 500.662 6.714 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2231826751 SZCMARWQNBTHDR-YLGFNEOPSA-N 507.391 6.283 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C1[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2234075860 YZCXBKKBGLLFOU-GJZGRUSLSA-N 509.673 5.993 50 10 KKGE CCc1cc([C@H](Cl)c2ccc(I)c(Br)c2)sc1Br 2255979605 QWWPWBXVWCOBGY-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2269282842 YYONRRZFKJLRIU-FZTXSHAMSA-N 584.766 6.845 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(I)c(Cl)c1 2288496603 JFPNFRZGCGXJDT-LBPRGKRZSA-N 556.797 7.076 50 10 KKGE C[C@H](CCCCCI)NC(=O)Cc1cc(Br)cc(Br)c1 2295310695 ACXWJWSOPXPQJX-LLVKDONJSA-N 517.043 5.254 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2s1 2296545945 CJLIEGOSGPAOKD-UHFFFAOYSA-N 528.612 7.931 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(Br)cc2)cc1 2296733658 WGELXHZDBRKLLG-UHFFFAOYSA-N 520.427 5.549 50 10 KKGE N#CC(=Cc1ccc(Br)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297212629 GPCOWIQVZADRGS-UHFFFAOYSA-N 514.198 6.506 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2297488356 LHJGOQZTRQMHRF-UHFFFAOYSA-N 500.451 7.155 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1 2313518108 JOSQQHYNLYCUDT-UHFFFAOYSA-N 524.358 5.733 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314493284 VRFUPUINLJZKHG-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591693 BJQULPYGGIKIBJ-VWLOTQADSA-N 552.483 6.766 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592592 YHKNENKRWLAWRN-SANMLTNESA-N 600.062 7.556 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593009 FTNRTOHMGSYHAL-GKVSMKOHSA-N 552.483 6.306 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593084 HIVOEEYOWJOVOW-XMMPIXPASA-N 572.008 6.110 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314620787 VDRSVTWNBZMDFY-UHFFFAOYSA-N 608.673 7.358 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(C(=O)OC)cc2Cl)cc1OC 2314729057 SWHHTLRRNBKXBX-UHFFFAOYSA-N 500.979 5.649 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 2314760628 RUBXGJCLEKRFDI-UHFFFAOYSA-N 543.403 5.973 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc1OC 2320488219 CVTOGPDUHBRSSS-UHFFFAOYSA-N 534.663 5.202 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3c(Cl)cccc3Cl)nc(O)c2cc1OC 2331044392 BRZYWCHFOVGZEJ-UHFFFAOYSA-N 538.387 6.311 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCC(=O)N(CC)CC 2331461917 VUWVDISAZYWLSL-UHFFFAOYSA-N 500.624 6.001 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc(Cl)s2)cs1 2331485083 ORGNEENYTJFPSQ-UHFFFAOYSA-N 502.640 6.820 50 10 KKGE Cc1sc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337088587 NOBQICOUPMAYCV-JTQLQIEISA-N 556.314 7.621 50 10 KKGE Clc1ccc(I)cc1CC[C@@H](Br)c1ccc(Br)cc1 2352431598 JQPFOUPBFYHKFQ-CQSZACIVSA-N 514.426 6.776 50 10 KKGE Clc1ccc(I)cc1CC[C@@H](Br)c1cccc(Br)c1 2352432227 QFNRDTUPXQBFJJ-CQSZACIVSA-N 514.426 6.776 50 10 KKGE Cc1sc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1Br 2362238237 VAJMWCVMBBGNPM-LLVKDONJSA-N 570.341 7.929 50 10 KKGE CCOc1ccc(N/C(SCC(=O)N[C@@H](C)c2ccccc2)=C(\C#N)C(=O)Nc2ccccc2C)cc1 12311858 YGPKDALKECZGDE-ZHLRLBJSSA-N 514.651 5.790 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 33406399 IJCMRGUUYQPSJT-PGMHBOJBSA-N 512.566 6.838 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 38606531 ZEYYUUALVSURIG-LFVJCYFKSA-N 506.562 5.304 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686519 QHEJIMCOXVGNDX-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE Cl[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 72131051 PCQHHGZMQLZGQM-ZJKZPDEISA-N 559.102 6.923 50 10 KKGE in-vitro CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100186796 PQZKQDYXVSJIBY-UHFFFAOYSA-N 629.415 6.009 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(C(C)(C)C)c1 100200901 TVXNCSCYBWCNOY-UHFFFAOYSA-N 541.486 5.803 50 10 KKGE N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nnc(NC(=O)c2ccccc2)s1 100474620 LNZAAPLILYFYGP-SFQUDFHCSA-N 537.479 6.574 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 101012592 PHKDGVJPKTVVSP-XHPQRKPJSA-N 558.613 7.202 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101333465 JKDVYVSOJRIXLD-LFVJCYFKSA-N 573.491 6.483 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C2=O)cc1 101339949 SEEZLGUEWCXIDY-FJEPWZHXSA-N 558.682 6.141 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1Cl 101366163 UWUIRWFXUPGOKF-AREMUKBSSA-N 531.395 6.983 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 101368962 YWBHEXXJEAJQMV-LFPIHBKWSA-N 539.357 5.188 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381283 FKDABUDENHDPJO-JGCGQSQUSA-N 601.486 7.392 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 101385614 CFKANHWCDLUCJJ-WJOKGBTCSA-N 614.010 6.038 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388665 AMQRQXQBQVYLGI-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)ccc1OCc1ccccc1 102390792 OXWQAHXUZRWYLR-HRRCHGLFSA-N 585.726 6.059 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(I)c3)c2C)cc1 103877250 MVKJHRZXKIIYQI-FMFFXOCNSA-N 598.488 7.229 50 10 KKGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 104769296 OZVKLQZYWPYZBH-DFKUXCBWSA-N 543.693 5.482 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 105049463 YOQAVVBBHWLMEJ-GRSHGNNSSA-N 530.249 7.497 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2nc3ccccc3s2)o1 107722373 IZCFCYJSDPSFRI-JXAWBTAJSA-N 525.611 7.007 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)cc1Br 128796269 YSLNIYLUZIWZTI-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1ccc2[nH]c(SCC(=O)Nc3ccc(SSc4ccc(NC(=O)CSc5nc6cc(C)ccc6[nH]5)cc4)cc3)nc2c1 150426859 DQCNOZSCUCAPHT-UHFFFAOYSA-N 656.884 8.317 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433114 CULNXKMNJXCAIP-JGCGQSQUSA-N 651.930 7.827 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214409070 IPCMVZQAKOHIAU-MZFJOGFUSA-N 612.636 7.189 50 10 KKGE Cc1cc(CCl)nc(Oc2c(I)cc(Cl)cc2I)n1 311513009 RTLNPWYNESFTTO-UHFFFAOYSA-N 520.923 5.179 50 10 KKGE C[C@@H]1CCC[C@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 721573900 UCMPPKJWWXZHRI-BMIGLBTASA-N 515.027 5.127 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 725379718 OTVGPQDBGFZHQW-XMMPIXPASA-N 608.302 6.292 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 725442033 CFGUYZVYPNIRNC-UHFFFAOYSA-N 550.055 6.337 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(I)cc2)cc1 1084063528 QHCKFLWPLREWFA-XMMPIXPASA-N 637.312 5.995 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc2ccccc2c1 1084067007 FKAYLGDNJZLYSA-UHFFFAOYSA-N 512.201 6.047 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1C#N 1084183972 GPEOLNMWBPDSHL-UHFFFAOYSA-N 504.340 5.418 50 10 KKGE O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)NN=Cc1cccc(Br)c1 1084199987 HZZXLHYBVINBJR-UHFFFAOYSA-N 526.847 5.593 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084243929 XFKWBDQAPFUSEK-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084460798 XLBPLBIPNCCTNX-JOCHJYFZSA-N 555.425 5.119 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 1565517987 RYCIITYHYVPDFM-SIMBMWGRSA-N 585.060 6.066 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc(C(C)C)c2)cc(Br)c1OCc1ccccc1 1772753637 XCDMIOVWGWZXQP-UHFFFAOYSA-N 511.416 5.689 50 10 KKGE C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772791253 QPXXMJRGPBPGJR-NGOKVRLYSA-N 600.744 6.058 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865687045 IBOQQHJQFLFXJW-XMMPIXPASA-N 550.512 5.895 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690179 KTCFIZZNBNAIGD-SANMLTNESA-N 531.443 6.598 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865690316 OJSHBHQNLYGOLV-NRFANRHFSA-N 516.951 6.391 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690601 WONHDEYNPDDGJY-QHCPKHFHSA-N 520.486 5.886 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865697225 XVCQOYPQZMTIHH-OAQYLSRUSA-N 513.520 5.472 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865697459 SYOSFFAFNNWTKF-XMMPIXPASA-N 573.447 5.936 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865697492 URWCRWASCHCMOE-FQEVSTJZSA-N 553.368 6.271 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701988 KCIKNRVHYZYCAP-JOCHJYFZSA-N 551.803 6.321 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1865702390 URZFIBXOJLAFQG-INIZCTEOSA-N 501.242 5.753 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865703434 VRSZYLDCCLBDJK-MUUNZHRXSA-N 520.633 6.231 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703997 KIKBHRPJLMENIA-SANMLTNESA-N 565.888 7.582 50 10 KKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704010 KQLYFSGBXMAOEM-DEOSSOPVSA-N 527.452 6.358 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704082 MPZGODAMTLRKER-GDLZYMKVSA-N 533.031 7.038 50 10 KKGE C[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866567562 PFNAMFPFPMRDNP-INIZCTEOSA-N 504.662 5.798 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866681817 RYZFRAFTONVKFT-NSOVKSMOSA-N 524.621 5.486 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866694443 JTWLHHHVMKYPJR-NSOVKSMOSA-N 506.631 5.347 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141737 UCFMXPYVRKRRNL-RSXGOPAZSA-N 536.097 6.757 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@@H](Cc4ccccc4)COCC3(C)C)n2)c1 1868506396 WXZJQJHCPYTREZ-VWLOTQADSA-N 537.689 6.695 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)c1 1872750050 UQVAZFYGOFGOJR-UZYVYHOESA-N 503.849 7.495 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 1872782311 CXOPWUHUENYVBR-ZMOGYAJESA-N 513.449 8.913 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 1873795271 VRSUXNSSKZQQGX-ZMRKYAEKSA-N 501.599 5.193 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cocc1Br 1899876217 FSIJFQHTPWAUME-SFHVURJKSA-N 501.012 6.868 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1sc(Br)cc1Br 1922883846 QCFSBHFXKZHGEY-SECBINFHSA-N 506.428 6.400 50 10 KKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CCCC[C@@H]2CCSS2)C1 1952428023 VGOSUAQZFYZQCA-QHAWAJNXSA-N 511.709 6.815 50 10 KKGE CC[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004479618 RHQSECFVYGBHKW-NJGYIYPDSA-N 519.869 7.153 50 10 KKGE CCCc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 2027130638 GVAFFWULRFKWTA-AWEZNQCLSA-N 500.037 6.552 50 10 KKGE N#CC(=Cc1ccco1)c1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1 2040465921 UEYASIGUVLCTND-UHFFFAOYSA-N 504.159 6.099 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2065505699 MKBDPEXOVHDCFS-VPENINKCSA-N 535.843 7.060 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2nscc2Br)c1Br 2081054283 HWBOCBVHXMOHCZ-LLVKDONJSA-N 518.894 6.532 50 10 KKGE Fc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2083094601 DRQWKWTYHBLEOW-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2083317360 FQSXAWKDQHYVEH-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2141632021 AOHDRTHITQFAGZ-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE Cc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2142290567 COSQKRLEWVSNLA-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)cccc1Br 2150493394 AQBRMAZFKFUMHD-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE CC1(C)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC(C)(C)C1 2193418758 GKPBEVPWNOCLOA-SNVBAGLBSA-N 552.008 8.324 50 10 KKGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Br 2197757679 VISZDFZVLMZAPF-HXUWFJFHSA-N 517.283 5.104 50 10 KKGE Cc1cccc(C)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206403711 LIVPIWHJZJWMFY-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Clc1cc(COc2c(Br)cc(Br)cc2CBr)ccc1I 2208037394 WFMONARIRTWRHH-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)cc2Br)c(C)c1Br 2227359671 KLMXLZOQPNMBLT-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)c(C)c1Cl 2232527920 QGVWDPMADNOJDR-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2234061583 VIBXBNVLTYSKMN-ZBFHGGJFSA-N 511.689 6.698 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(C)c1Br 2234465711 YRICJFVYIKUGDT-JTQLQIEISA-N 509.435 7.306 50 10 KKGE CCc1cc([C@H](Cl)c2ccc(Br)cc2I)sc1Br 2255976151 ADENXZOZGZRWJC-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1I 2269542779 JPKQCNFBVKZHBR-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 2293370065 MIYWSTQCDWPRCO-UHFFFAOYSA-N 502.043 6.025 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc(O)c2ccccc2n1 2296546114 ODKILIYHCBIRIH-UHFFFAOYSA-N 539.570 6.970 50 10 KKGE CCOc1cc(C=C2SC(=NNC(=O)c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccccc1 2297709365 WKXGHVWZSOEUEX-UHFFFAOYSA-N 507.999 5.223 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1Cl 2313571410 VULOVSXMJLBDNK-UHFFFAOYSA-N 541.862 7.899 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592964 FDHAFFQMOUSTOP-PIKZIKFNSA-N 509.675 6.115 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 2314616903 MNPDFPDLMGUDJT-UHFFFAOYSA-N 621.093 6.893 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 2314617515 ZOVOLAWIRJQJQC-UHFFFAOYSA-N 538.623 6.392 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1Cl 2314618999 XXRJQIDKZQVLSL-UHFFFAOYSA-N 573.093 6.390 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634512 CCFMWGVIYPIGGN-SSEXGKCCSA-N 526.589 5.720 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 2314643456 YNTAXNHUHXXQCH-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 2314646592 DRYPAQAXFDPCLX-MHZLTWQESA-N 666.731 5.392 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314751226 XLCMBWJPTIGEJR-NRFANRHFSA-N 536.584 5.975 50 10 KKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)C(C#N)=Cc3cccc(Br)c3)cc2C1=O 2329697176 NZJWHCRLRRYEFW-UHFFFAOYSA-N 500.352 5.412 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300603 VQHUZUFTDRZQJX-UHFFFAOYSA-N 500.761 5.315 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1 2331326052 UOIBRWDTDTUPRV-LBPRGKRZSA-N 521.820 6.503 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)c2ccccc2)cc1 2331364528 JRWHJXSYIIIJLO-UHFFFAOYSA-N 506.671 8.476 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 2331377512 GJBOXYFLPOAWLA-UHFFFAOYSA-N 519.022 7.095 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)c(C)nn1C 2365226827 YWTLTTRYIKWXJK-NSHDSACASA-N 533.859 5.948 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2366406581 GUZCNYREYGMMEJ-CYBMUJFWSA-N 509.797 7.281 50 10 KKGE C[C@H](Br)C[C@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377327077 OSQRTPAPABAXTH-GXTWGEPZSA-N 515.071 5.972 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2408715 YCSADTQVYXATCG-ATVHPVEESA-N 532.792 5.785 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C(Br)=C\c3ccccc3)cc2)cc1 6146228 AZCUMIYRMTVHGH-SFHXXFADSA-N 528.428 5.038 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 33554881 BJMJXVDKFVENMF-KVILUOORSA-N 518.661 7.283 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 38686457 WRHOKGSPONAJNM-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 40879698 BCHPXSAXOXQRIS-HAVVHWLPSA-N 512.606 5.437 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914686 WQFFSRHQRQSAMA-HHHXNRCGSA-N 501.067 5.283 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 97968658 RQZXUCJMHXWMLV-MDVMQCDRSA-N 573.299 7.470 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2ccccc2[C@@H](C)CC)cc1 100094253 FLKVGYDHAASNGI-RLYXNXOGSA-N 542.680 5.772 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 100233446 USODZZHFVKPUFW-ZSYYNXLFSA-N 600.466 5.698 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034042 VFVNNMFXSAEGBF-XQNSMLJCSA-N 583.072 8.640 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101333077 NXSJUBPSGSNJCK-VUTHCHCSSA-N 577.084 7.164 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1Cl 101335623 PKGXQZAPAPFGIM-KOEQRZSOSA-N 559.066 6.000 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)C2=O)cc1 101339859 KYSSCECZAMAYHP-CVKSISIWSA-N 609.480 6.111 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C2=O)cc1 101339931 BUKLIPIJSVHJCH-UXHLAJHPSA-N 572.665 6.436 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369462 VGZFBKVZFKFORF-BGOLNKOXSA-N 532.596 6.632 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCCC(C)C 101375072 UCHJEEVFEQPVRZ-JGCGQSQUSA-N 570.686 6.982 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)ccc1Cl 101384887 UNUQRNKASYYEFP-HKBQPEDESA-N 621.904 7.737 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388396 YIUBAHMZHAFMHV-HKBQPEDESA-N 567.041 7.064 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101392081 JPZOUBXSRXIBKA-QHCPKHFHSA-N 564.252 7.526 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101392575 LHNZSBNZPVKSNR-VWLOTQADSA-N 561.388 5.958 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101397071 CBWDCYDCVILNBH-JOCHJYFZSA-N 537.424 7.044 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)c(C)c2c1 101398169 KKMXYNIOADOBED-HKBQPEDESA-N 542.591 7.066 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599746 RFYWFXAGMAMFDK-WPWMEQJKSA-N 536.209 6.347 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(Cl)cc(Cl)c5)c(C)c43)coc2c1C 101619645 ASTMCBSWNBJUEV-WEMUVCOSSA-N 538.431 6.909 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 101684555 ORPPKLBTNWFVJI-OEAKJJBVSA-N 587.426 5.925 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1 101727136 LDFYZCIRDGWMJH-WKULSOCRSA-N 582.545 6.793 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(\CNC(=O)c2ccc(F)cc2)c2ccccc2)C1 102040909 HRLKTNYVEXRYMB-CIJJFRRPSA-N 522.665 5.065 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 102932818 UBSYEZBPNJKBNW-PXNMLYILSA-N 532.767 6.688 50 10 KKGE COc1ccc(C(=O)/C=C\c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1 102947446 XFUBOHBVBKTGQU-VHXPQNKSSA-N 503.558 6.678 50 10 KKGE COc1ccc(N2CCN(c3ccc(NC(=O)CCCCl)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 103133140 BNOCRRGDYQXDIG-JOCHJYFZSA-N 571.143 5.019 50 10 KKGE O=C1C=CC(=CNNC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)C=C1 136034789 QLBPLFNBDZLOMY-UHFFFAOYSA-N 558.634 6.237 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 142436944 CAQAIFJNOVJLOP-DYTRJAOYSA-N 536.588 5.507 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2cc(Br)ccc12 150483481 LDKQADDMFNRIPS-PMERELPUSA-N 641.905 8.174 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150489373 OHWXWHJJVUKJSH-IBGZPJMESA-N 630.695 7.173 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OC)cc1OC 206236122 HQKIVHYSTOZFBO-SZVNPNTASA-N 507.583 5.752 50 10 KKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206683975 SQFCHOSZVFEVPQ-VGLXWCCFSA-N 530.577 5.318 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 207297681 XSQGSCMMVURGKW-NKFKGCMQSA-N 530.621 5.964 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214346639 LCCMVXLWEWBECT-USHMODERSA-N 528.612 5.691 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214411562 UISIVYKMODURKW-YSMPRRRNSA-N 510.565 5.904 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1c(Br)cccc1Br 232134036 PFAYWDQGBHLAQF-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 254305271 CYKFKRIXWSRMSE-UHFFFAOYSA-N 504.583 5.403 50 10 KKGE COC(=O)C[C@H](O)C[C@@H](O)/C=C\c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1 256008387 WCJUVVBQCXVFLK-BMVVDKQXSA-N 573.822 7.345 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)ccc1OCc1ccc(Cl)cc1 256017395 LFDTURSXRWBMBA-KRWDZBQOSA-N 531.834 5.916 50 10 KKGE CN(C)c1ccc(P(c2ccc(N(C)C)cc2)c2cccc3c2Oc2c(cccc2P(c2ccc(N(C)C)cc2)c2cccc(N(C)C)c2)S3)cc1 642813694 HHQUQQVTBFRCHR-UHFFFAOYSA-N 740.894 7.724 50 10 KKGE C[C@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 725238782 PRNPRFDKTPEMCG-KDYSTLNUSA-N 584.138 6.321 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 1083951758 PRZXTULWOWFSRW-AREMUKBSSA-N 643.319 6.750 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1Cl 1083952118 YUYNAGRSCQJVER-HHHXNRCGSA-N 541.475 6.664 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1c(Cl)nn(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1 1084004222 ZXBDSRFQXILWHD-UHFFFAOYSA-N 586.501 5.150 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084189926 DXYHNYWIFVGFES-VWLOTQADSA-N 602.469 5.632 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1C 1084421738 KZDBYDOEUGHUPQ-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1 1084468285 GWWOTOJBFQEYSX-UHFFFAOYSA-N 672.260 7.138 50 10 KKGE COc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1084505373 DLOPNCFWTUHRQA-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084578579 XOSAJSRNYKAVML-UHFFFAOYSA-N 516.919 5.200 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 1084641140 ARYUVCPHWXSMCB-DEOSSOPVSA-N 529.406 5.530 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773632 VIQGGYZFTMULIY-HABBSKFCSA-N 647.146 10.753 50 10 KKGE C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@H]1[C@H]2C[C@H](O)[C@]2(C)[C@@H]1CC[C@]2(C)CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1615950362 UVXRBEYIDJOLOR-MSJBVGBBSA-N 581.581 5.281 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749016 PHURLUKDSFRMIT-UHFFFAOYSA-N 517.629 5.775 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687401 QJJOOQCPEBRXGZ-MHZLTWQESA-N 571.475 6.393 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865693258 TVHJZLGBESBMOK-GOSISDBHSA-N 564.362 5.454 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696862 SJAAZGNOLPAISU-HSZRJFAPSA-N 513.425 6.146 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865696909 LHFGDYJTUOAOSH-HXUWFJFHSA-N 529.822 5.476 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697918 FUGFMJFEZHSZAW-DEOSSOPVSA-N 551.485 5.969 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698103 KRUMKZNGFCFVNW-HXUWFJFHSA-N 503.441 5.268 50 10 KKGE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865701288 RJYVQLFHGOZZRG-AREMUKBSSA-N 517.416 6.593 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702927 ILTJTHIPAKBWTE-SANMLTNESA-N 531.443 6.929 50 10 KKGE CCC[C@@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866932451 JIRSWZDYDWPBGD-RUZDIDTESA-N 535.044 6.667 50 10 KKGE C[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946124 LGBMTNYILNBIPE-MWTRTKDXSA-N 526.431 5.631 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CC2)c1 1868301332 NZQFWUXTNDAPRJ-UHFFFAOYSA-N 536.705 6.142 50 10 KKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1c(Cl)cccc1Cl 1872729054 LGXLVEWPHROQSJ-LICLKQGHSA-N 527.360 6.715 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872758662 KHADJFNGYTVAQY-XXYCHUHASA-N 507.999 5.976 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccoc1Br 1923071293 IDQOAOUKMACYDG-YFKPBYRVSA-N 514.258 6.766 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 1924569369 UKXLZHDGFGGBFM-IMJSIDKUSA-N 505.842 6.763 50 10 KKGE Fc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924599785 LOQZHHWGAYJZIE-LURJTMIESA-N 539.859 6.993 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2025784090 SDEGCLGFZQFCHU-PJPYAQQDSA-N 619.609 7.346 50 10 KKGE CC(C)[C@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049389468 ZTKQTPRQNNGJFV-YLZGDECLSA-N 773.843 6.401 50 10 KKGE CCc1nc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)s1 2050330864 IFSOTCSSGDULOC-ZCFIWIBFSA-N 559.368 7.145 50 10 KKGE CC1(C)CCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477907 VFKNUZZHJCNWHA-FUXBKTLASA-N 538.343 7.843 50 10 KKGE CC(C)([C@H]1CCCO1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395538 OYQVSMOZMAOAOT-RNCFNFMXSA-N 554.342 7.222 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2229319867 LXBHIWIXIIEJDH-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Brc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)sc1Br 2229741201 GWJRGWDKRMKCBP-GFCCVEGCSA-N 531.889 6.455 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccsc1Br 2259999093 LJRYQFROUYLGOG-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE Cc1sc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(C)c1Br 2288491967 ZUWUDAOYSQKSPB-LLVKDONJSA-N 509.435 7.259 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 2294156058 JJUKWKUTUKCLTG-UHFFFAOYSA-N 614.352 6.017 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(F)c1 2295523540 DMMUMYSOJWSPPC-UHFFFAOYSA-N 580.616 5.041 50 10 KKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2295945693 TXNYRJWWDZKXPF-UHFFFAOYSA-N 500.451 7.831 50 10 KKGE N#CC(=Cc1cn(CCOc2ccccc2Cl)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 2296099111 QSGODHPKNSXYCD-UHFFFAOYSA-N 526.021 6.542 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 2297056550 HDRUZLBAKMYWFV-UHFFFAOYSA-N 530.440 7.164 50 10 KKGE Brc1cc(COC2(CI)CCCC2)ccc1I 2306301901 TZERCOMIDUTIGR-UHFFFAOYSA-N 520.974 5.318 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1 2313545778 DZDQMTXXRXHDDT-UHFFFAOYSA-N 532.438 5.292 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566879 CLOODSCEEOQISZ-UHFFFAOYSA-N 599.298 6.185 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 2314476490 PHKDGVJPKTVVSP-UHFFFAOYSA-N 558.613 7.202 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 2314486802 FAWPWLRFWDBXTJ-UHFFFAOYSA-N 574.662 6.999 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314592630 YYNDTUCUGYCGST-NDEPHWFRSA-N 509.675 6.800 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592673 ZWPNQTXTMMHVEA-XMMPIXPASA-N 572.008 6.741 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314619778 FFOSHJYQFSKQEV-UHFFFAOYSA-N 577.464 6.425 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314620930 WJKUOBKAXNISSH-UHFFFAOYSA-N 651.119 5.944 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 2314777438 FHWVIQGZBDGIAP-UHFFFAOYSA-N 526.998 5.085 50 10 KKGE COc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 2328799939 AZCXPJREDZIFJL-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336044815 QTRLAJIKOLHJDE-NRFANRHFSA-N 515.072 8.128 50 10 KKGE CCC1CCC(CI)(OCc2c(Br)cccc2Br)CC1 2366145083 NGPBUEQDXHUACR-UHFFFAOYSA-N 516.055 6.502 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)cc2)cc1 33378986 XXQPTYOHFQMJAV-VXBWEVHPSA-N 518.617 5.629 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38607570 FYAJWBPYPDTBMX-KOEQRZSOSA-N 510.565 5.638 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38658193 XXUQBXVCZXCVJT-GDLZYMKVSA-N 510.590 5.751 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38660127 NIAMIOSYWCLKOD-AREMUKBSSA-N 515.522 5.220 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 38679328 PFMVNVXBVJKJNN-LJAQVGFWSA-N 514.578 5.303 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38685235 ZLHYQYFPSWPQPE-IIMAJNMQSA-N 526.633 6.580 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)oc2c1C 38700607 RCWFMCYXRKZHBL-QHCPKHFHSA-N 502.929 6.588 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1C 39858852 VAYZYQRCFVSPBY-PDGQHHTCSA-N 519.388 6.265 50 10 KKGE O=C(Oc1ccc(-c2ccc(OCCO)cc2)cc1)c1ccc(OCCCCCCBr)cc1 90443414 XXWPGENGJDKYAH-UHFFFAOYSA-N 513.428 6.278 50 10 KKGE CCCCCCCCCCCc1nnc(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)n1-c1ccccc1 100166756 FTSAVOCRABYIIT-ZXVVBBHZSA-N 542.731 6.553 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100209217 GRQIOFNMOZPDTJ-UHFFFAOYSA-N 577.328 5.285 50 10 KKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101033918 UKCVFTFWUDNBKP-XNTDXEJSSA-N 546.358 6.911 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(Br)cc3)nc12 101115355 OXKPWOWJSPYQIO-VBKFSLOCSA-N 535.785 5.757 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101244018 HWUGKKJENZQXRR-ZBLJKLLZSA-N 600.062 7.061 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 101365225 UBGIIHUYFNWXCN-HSZRJFAPSA-N 527.360 5.457 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101368459 CBHHUYFRPZHFMI-ICACTRECSA-N 570.686 6.835 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 101370447 XAPDNFXAJZQKGY-QUGAMOGWSA-N 533.422 6.164 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccccc1Br 101370464 NBUNURARCGARIT-QGZVFWFLSA-N 567.264 5.347 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376439 CCCMLLJVVDUFFW-QFIPXVFZSA-N 574.502 6.154 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 101376839 NZJOYCGEXBXLNP-NDEPHWFRSA-N 533.024 6.338 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379219 RACKHGGXZJPTLF-UUWRZZSWSA-N 573.048 7.438 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384385 OFIZVWBCGHULTL-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(F)cc1 101389276 QQBWEQGJPQLBIX-HKBQPEDESA-N 566.585 6.249 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2cc1C 101398808 PLNRIUWORFELKF-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399691 SZIWUFAYUXMLRY-UMSFTDKQSA-N 614.698 8.082 50 10 KKGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc(OC)c1OC 101463836 OBBCAHXYYIPHHD-ACXHZZMFSA-N 612.477 5.443 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 101598145 VJICWPKHAQBRLX-OVVQPSECSA-N 531.325 5.054 50 10 KKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OCC 101730094 YUBMLODIUNZMCD-NGRIYPKZSA-N 530.577 5.318 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1 103806548 NMDXRJBPDZGITA-FDAWAROLSA-N 601.710 6.967 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 104767470 LTCZKCAOBFKXOH-WEMUVCOSSA-N 533.657 6.087 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151494 LCEABUUAHMJODP-SMZKAPSWSA-N 579.129 7.258 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 105412473 UMCQDLQTPQIGSY-KBVAKVRCSA-N 594.303 7.134 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118920946 HQCIIKWOMRRRPN-JTXAPHOZSA-N 521.624 8.723 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)sc1Br 126731535 DPEJPOBHOCRLLP-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE O=C(c1cc(Cl)sc1Cl)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 139028160 CSRQNFBOLUMJHZ-QPSGOUHRSA-N 546.211 6.609 50 10 KKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 150387967 QMBKOZDYTYWPCF-JPIVCVLESA-N 648.941 6.620 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCc4ccccc4)c(Br)c3)cc2)c1 150422104 SITCAHGELPREHJ-UHFFFAOYSA-N 631.552 5.581 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432817 XWEKETUEAVCWIZ-UOUHTQAHSA-N 647.942 8.461 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc(OC)c1OC 150462333 IZUOYSCJMSQEAA-PMERELPUSA-N 633.484 7.036 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481769 USKSMAGCNSHMFH-NDEPHWFRSA-N 633.940 8.878 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc2ccccc2c1 252616620 KBZKSJQATFQVAG-FQEVSTJZSA-N 541.080 6.317 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254844402 LNCNEIDHDJYZSR-UHFFFAOYSA-N 550.611 5.997 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 256313457 OGAQVUGJYFZLEO-XSZXZGGWSA-N 589.648 6.892 50 10 KKGE Clc1cc(I)c(Oc2ccc(CBr)c(Br)c2)c(I)c1 311496557 OJYFQDIYIQNOAK-UHFFFAOYSA-N 628.267 6.999 50 10 KKGE O=[N+]([O-])c1sc(CBr)cc1Oc1c(I)cc(Cl)cc1I 404269232 HDQYGGGPZURDGH-UHFFFAOYSA-N 600.397 6.206 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 409421693 DIMYHZDULFSWLS-XKMZHAMDSA-N 641.142 11.150 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@H](I)C[C@@H]21 504219154 PJELOCOCQXOYAR-SRTHINIRSA-N 841.943 5.389 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)[C@@H](O)C(=O)C(C)=C([C@@H](O[Si](CC)(CC)CC)C(=O)[C@]12C)C3(C)C 575627526 LRPKSMWQVVMTCU-QMSQDFMDSA-N 787.108 6.320 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 725432708 ZMZPKTMGDLIYES-UHFFFAOYSA-N 658.416 5.960 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2N)(c2ccccc2)c2ccc(OC)cc2)cc1 1083805756 YQKHBJHBEGXBKB-MPTUZOFLSA-N 787.006 7.720 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1 1083885865 WMSJFRRUXVVDTN-UHFFFAOYSA-N 781.432 8.404 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084203771 OPEYOCFCCXUUGI-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084226740 ZJJCIWYIWGAUJS-VCHYOVAHSA-N 574.205 6.594 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 1084475051 XGMOVOGDGMLALP-CXUHLZMHSA-N 522.215 7.433 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccc(Cl)cc3)c2C)c1 1084480005 KDYGHDAKLMRGAW-UHFFFAOYSA-N 504.881 6.451 50 10 KKGE CCOc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720634 UTPFJHICSWRMSL-UHFFFAOYSA-N 558.587 5.013 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Cl)c1 1772755144 PNTBTTKZQRFIPI-UHFFFAOYSA-N 558.512 6.947 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682498 QBBAANNIYRBLFZ-RUZDIDTESA-N 511.025 6.717 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865686226 SKCODCFRDTZHBJ-FQEVSTJZSA-N 528.226 7.371 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCCc1ccccc1 1865688505 UCMWSFJOINKUSG-SSEXGKCCSA-N 575.068 7.041 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865689009 HMKQFRLBXWAQGN-SANMLTNESA-N 508.578 5.563 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865691581 VXIXTNMGQHAUDB-HXUWFJFHSA-N 503.441 5.270 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865691762 AHOJRLMFTBOKQQ-JOCHJYFZSA-N 531.495 6.050 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695767 HEAZETFBCKUIMY-RUZDIDTESA-N 541.479 6.596 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696397 FTKXAZHBCBQKLU-LJAQVGFWSA-N 536.632 5.682 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865696845 RSIBDUYLEMQNNS-QFIPXVFZSA-N 568.258 6.591 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCCCc1ccccc1 1865697508 UXKJZOYAAFBIHW-GDLZYMKVSA-N 506.606 5.478 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700873 GKZLYAYZKSJSDU-OAQYLSRUSA-N 572.301 5.950 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702615 BZHUTAXILDEMGT-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703929 IWOXHJFQUVZFRO-HXUWFJFHSA-N 553.368 6.424 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704132 OEJWVFACXUWASP-HHHXNRCGSA-N 579.459 6.745 50 10 KKGE Cc1sc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccc(Br)cc1 1866129317 NLMHIEBNHRPJKR-XNTDXEJSSA-N 503.219 6.189 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868231329 CPCHLHYQNNMFAC-FQEVSTJZSA-N 507.685 5.607 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)n2)cc1 1868321111 VUXBLJXVSKQGTH-NDEPHWFRSA-N 519.718 8.408 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2CC)ccc1OCc1ccc(Br)cc1 1872730672 JAARPLXNSDIBNX-RCCKNPSSSA-N 502.412 6.861 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(Br)c(Cl)s2)s1 1900918269 DSAYHJJNYMXACJ-ZETCQYMHSA-N 532.875 6.968 50 10 KKGE Cc1csc([C@H](Br)c2sc(Br)cc2Br)c1Br 1939883094 ZMCWTZPOLOCVQW-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE COc1sc([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2034629530 NWYBHFOHOQJWRH-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OC(=O)c1ccc(OC)cc1 2053612503 IMVIHLHIKRHMGR-UHFFFAOYSA-N 692.260 6.134 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C[C@H]3O 2054328282 XFDOVQPSOPEMRW-SPDLNWCWSA-N 520.871 7.596 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCCC23CCC3)c1Br 2117007038 IZPWLWMKTGZNLD-PSASIEDQSA-N 535.965 7.832 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1Cl 2138643341 QNAXALSHVZOYRS-SECBINFHSA-N 509.872 7.073 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1c(Br)cccc1Br)CCO2 2150496437 VRYWVNFCFMRTEV-HNNXBMFYSA-N 525.860 6.393 50 10 KKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170615711 SGAIWPLDWBJRNQ-GXTWGEPZSA-N 515.027 5.222 50 10 KKGE COCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206396068 RUUJDCYCXPRKOX-ZDUSSCGKSA-N 554.342 7.223 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2Cc3ccccc32)c1Br 2206398739 YJAVBXKOOQVHNQ-RNCFNFMXSA-N 588.757 7.513 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1Br 2206400901 FJDDDTQCGMGVBY-MWODSPESSA-N 594.805 7.999 50 10 KKGE Cl[C@@H](Cc1ccc(Br)cc1)c1c(Br)c(Br)cc(Br)c1Br 2206409957 SXSGMSOHFUKKEB-NSHDSACASA-N 611.191 8.022 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2224018198 KGLZAKFAIFZPEG-YFKPBYRVSA-N 542.316 6.215 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2225632968 GTCNUHSCBZZBIH-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)cc1C 2227714023 OLNCGMVIVSSEPB-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(I)c(Br)c2)c1 2232148683 QRHPYDCQLQVEIY-LBPRGKRZSA-N 534.844 7.039 50 10 KKGE Brc1cccc([C@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236085749 SFXXIVWKPDKWEX-NRFANRHFSA-N 549.243 5.192 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2sc(C)c(C)c2Br)c(C)c1Br 2237633368 KORVABIPWHVRBP-CQSZACIVSA-N 501.509 7.597 50 10 KKGE Fc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1I 2277962903 NFXRJDACZFPXHS-GFCCVEGCSA-N 562.840 6.634 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1Cl 2283562488 KPJXGXBCRLJXMM-GFCCVEGCSA-N 548.294 7.120 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293198241 MOOPGKBDIVHVIO-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198328 VAHIQGXNWQZIRI-DEOSSOPVSA-N 556.902 6.432 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293198348 XJSXGDGPFBMSLS-JOCHJYFZSA-N 563.293 7.365 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818740 QLSYJKBJUYGQTE-FBXZRAPESA-N 827.244 14.626 50 10 KKGE COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296798330 BQOQLHZYUMVLBE-UHFFFAOYSA-N 508.353 5.442 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 2296834501 ZGOSOKSXNUFIOM-QHCPKHFHSA-N 566.466 6.235 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(SC(F)F)cc3)o2)sc2c1CCCC2 2297490840 KYCSCNRIAQJVPY-UHFFFAOYSA-N 528.602 6.924 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521322 GLOKIFCYWPULKJ-UHFFFAOYSA-N 513.775 7.053 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571390 VDVDFQBOZLRHPI-UHFFFAOYSA-N 567.185 6.862 50 10 KKGE CCN(CC)c1ccc([C@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 2313620835 VTXRFBOAMCQPRE-PMERELPUSA-N 617.237 5.571 50 10 KKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 2313631378 PFGHHCCPIAZCFF-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCc1ccccc1 2314478489 NXTLGBSNPOKEGE-UHFFFAOYSA-N 528.587 6.481 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592883 DDBJNKMQORSJMG-MUAVYFROSA-N 523.702 6.731 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593719 RXGMGQWQLXQISF-VWLOTQADSA-N 546.490 5.809 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 2314646740 LUYBCDIXJFOGDB-HKBQPEDESA-N 731.230 6.697 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 2314772557 IEATZCVFDKTLDL-UHFFFAOYSA-N 589.313 8.210 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2315594619 XJZAKVFTQHMQFA-SECBINFHSA-N 505.805 5.331 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(I)ccc2Br)C1 2319222290 BXZNIUBOPPXOCO-SFHVURJKSA-N 589.106 5.735 50 10 KKGE N#CC(=Cc1cccc(F)c1)C(=O)Nc1c(Br)cc(Br)cc1Br 2329672303 LRYZPPIRCODSBM-UHFFFAOYSA-N 502.963 5.659 50 10 KKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)c(Br)c1 2331343905 CBSIMVQMIOSOTC-UHFFFAOYSA-N 515.448 7.661 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cn(C)c(Br)n1 2339680546 XWMMUXHHDBKLSX-VIFPVBQESA-N 519.832 5.639 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1sccc1I 2352794832 WKNJLEILZQPOTI-AWEZNQCLSA-N 514.064 7.031 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361200001 FWSDLYKCRAKQLU-QUCCMNQESA-N 500.221 7.680 50 10 KKGE Cc1c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)nn1C 2362253629 QCAHXAPLGKLLNW-SNVBAGLBSA-N 509.826 6.137 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)c(Br)s1 2380936991 JYCBSHNEHYCUBA-AWEZNQCLSA-N 545.960 7.952 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 2372703 PUUARZGUCWRNGH-VKAVYKQESA-N 531.366 5.112 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(=O)OCC)c1C 2398005 SWAURLXAKVYZOP-RCCKNPSSSA-N 529.643 6.829 50 10 KKGE COc1cccc(N/C(SCC(=O)Nc2ccc(Br)c(C)c2)=C(\C#N)c2nc3ccccc3s2)c1 3223117 OZLYGMWFMBIJRW-QQTULTPQSA-N 565.518 7.052 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c1 38606533 XKUWWVFZPKNMFO-ZXVVBBHZSA-N 524.621 5.347 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812859 NATYCRLVCZBFOU-TURZUDJPSA-N 514.807 6.035 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815545 XHVYLZPXYQXFBS-IWBSIUBASA-N 512.009 6.482 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822556 JEJQWBYODDJQRK-INKHBPHZSA-N 512.009 6.309 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 58990040 DOVUQEQMYMTJMY-MWAVMZGNSA-N 529.666 5.092 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914725 DQKVMJQXMWOYTB-WNEJPSKBSA-N 507.096 5.549 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)=C2N2CCOCC2)cc1 97984572 LMOCCTWAOMXHRJ-HRIHIPSLSA-N 550.625 6.404 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Br)c1 100288162 BGVOMGLDAINKQM-IBGZPJMESA-N 580.523 6.352 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 101013012 YLQVRKSCVRBUFB-UCQKPKSFSA-N 524.429 6.583 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243815 SEOKCMASAUMCAE-VDDKWWLYSA-N 511.647 5.697 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101295901 CNJKCAMZLKAWFQ-AREMUKBSSA-N 557.400 6.506 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101334372 UWGIXYVVOMKMAC-DNXOAJKNSA-N 592.699 7.662 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101367984 SMFHMCZCOJOXFJ-JHGHDKQOSA-N 545.035 6.755 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 101376304 IBRYWBLPHKJJIL-MUUNZHRXSA-N 544.604 5.719 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)C)cc5)ccc43)cc2)cc1 101378871 ZFMLWQANXKJORN-UMSFTDKQSA-N 560.650 6.900 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388438 XFDOUJAXLUIGJS-PMERELPUSA-N 571.004 6.894 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101395934 HAOJYSYVBWUAHW-MGBGTMOVSA-N 594.708 8.153 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(C)cc4)cc3)c(C)c2c1 101397470 QYWYHTLNFIIGPF-MGBGTMOVSA-N 570.645 7.628 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1C 101727072 CJCIYWPSNNNQSJ-IPPBACCNSA-N 582.545 6.711 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 103822819 UGHCVHMGQQQISP-DEDYPNTBSA-N 521.367 5.671 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103888248 UCQASIFSJYTTLO-JAIQZWGSSA-N 536.382 6.189 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105070221 VOQNWKPWXQOCIJ-MHDJOFBISA-N 612.307 7.626 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 130461441 UIUQXCQFSXWIMT-LLVKDONJSA-N 503.879 6.828 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150460877 UPXCHHUXNVSIKJ-DEOSSOPVSA-N 711.212 9.389 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 150495056 BVQVOZJXXWCFNV-ZTKZIYFRSA-N 651.163 7.224 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@H](C)CCC3)cc1OC 206694682 CMMJIQUQSZDESU-DSPRMBBKSA-N 524.683 6.878 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214335181 QLEYRGYVMRMZIT-BCDHINTGSA-N 560.629 6.821 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(I)ccc1Br 234805388 XFVRKRIOSSZHSY-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C/c2ccccc2)cc1OC 254635068 WPZGRCTZODFGQB-JOCBIFMVSA-N 534.410 5.013 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)cc2)cc1 254765261 XJBLQJLQKXHKJH-UHFFFAOYSA-N 654.896 8.172 50 10 KKGE Cc1ccc2cccc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)c2n1 256019152 NLXAFUSPKNOGKZ-UIAACRFSSA-N 545.113 6.168 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(Cl)c(Cl)c1Cl 404917059 HCPYJVFLILCVIG-JTQLQIEISA-N 545.256 7.996 50 10 KKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 724982761 AXNJLNGOMJFKRX-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237598 KURQQUYBLQYHLI-URXFXBBRSA-N 537.003 6.282 50 10 KKGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)CC1 725409947 ZNVQSYJMVRMHEO-UHFFFAOYSA-N 590.555 6.496 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1083978026 AJCPDJDNAJMABL-CYBMUJFWSA-N 565.226 5.730 50 10 KKGE COc1cccc(C(=O)NN=Cc2ccc(Sc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)o2)c1 1084013313 CDQAIIABAUGDOX-UHFFFAOYSA-N 559.651 6.528 50 10 KKGE COc1cccc(C(=O)NN=Cc2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)c1 1084137296 PPVUBMWEGWLMGQ-UHFFFAOYSA-N 505.210 5.392 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084191007 KPMIGMBNYPHCPM-CQSZACIVSA-N 602.765 7.628 50 10 KKGE CCOc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1084196161 MUBWMWSRBOOBNQ-UHFFFAOYSA-N 534.465 5.512 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084250243 CQRRAEDKFSLQKY-UHFFFAOYSA-N 590.771 5.869 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084251007 HVGPSKQVJHYKPG-HSZRJFAPSA-N 580.306 6.698 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747935 MEZRYTFCNONUOW-UHFFFAOYSA-N 543.426 5.467 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)cc1Cl 1865686433 VWSULPUSHLQUHN-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865689715 CUFRIJJNOLJXJG-MHZLTWQESA-N 524.596 6.143 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865690256 MTHZERZGAPXUSA-HHHXNRCGSA-N 508.597 6.525 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865692650 OJFJPYSIXFDLGX-DEOSSOPVSA-N 537.458 5.798 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCCCc1ccccc1 1865697575 XAOYYRGTKFPHKD-SSEXGKCCSA-N 555.638 6.173 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697863 DFDYWLDFJNTOQX-QFIPXVFZSA-N 557.876 5.924 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698808 CXOPEBJPICXSSB-FQEVSTJZSA-N 509.418 6.443 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701041 KHUCEOKQYUVORU-SANMLTNESA-N 549.433 6.737 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865706511 YGMRWDMAERNBFX-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707052 MQYSBSHDUZCUGZ-MUUNZHRXSA-N 507.613 5.878 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(Br)cc1 1865715055 UNYSFSPFTOJXRL-QFIPXVFZSA-N 501.359 5.718 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](Oc4ccccc4)C3)n2)cc1 1868544884 MTJCGYSKBJPPED-MHZLTWQESA-N 535.717 7.806 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1872755670 ZFYDPCVBGJXJSS-NMWGTECJSA-N 507.999 5.982 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)ccc1OCC(=O)N(CC)CC 1872791895 VUWVDISAZYWLSL-DEDYPNTBSA-N 500.624 6.001 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc4cc[nH]c4c3)cc2)sc(C)c1C 1873496121 DFPKRIMLYNRQKR-ZTCTXGLISA-N 532.622 5.193 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 1873793813 YHPCIOABURIMMY-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915087252 SPGSSTAAWBMJRM-CQSZACIVSA-N 513.139 5.885 50 10 KKGE COc1ccc(OC)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923072523 PIHZALSBLWNCRM-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595350 XYJRYBFTRJEFFM-JTQLQIEISA-N 538.324 7.435 50 10 KKGE CCCc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924612952 FLVBPGIDZUJPMQ-NSHDSACASA-N 531.933 7.472 50 10 KKGE CC(C)([C@@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616911 VBBWXNHGMRIVGV-RCOVLWMOSA-N 525.926 6.677 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048972098 XHIACRSMZCVSSQ-XCBNKYQSSA-N 531.880 7.297 50 10 KKGE Oc1ccc(C(F)(F)F)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079243461 WFNUUHFXRUXGPS-UHFFFAOYSA-N 529.016 5.174 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@H]1C2 2085491978 DGTNYXHSSQFYKP-WBKRDIRUSA-N 522.300 7.207 50 10 KKGE C[C@@H]1COC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493820 HMDCBKYYUWUPRQ-DGAHNEANSA-N 570.739 6.455 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 2086378453 NQQWFTPHBBZXLE-ZDUSSCGKSA-N 502.009 5.998 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c1Br 2138850432 MDUCMQLQCGNTKX-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE CC[C@@H](CC(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467831 CPSWNEXIMVNMBC-UFBFGSQYSA-N 584.810 8.245 50 10 KKGE CC[C@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170610704 WHWYRMAPSBNSTB-SMDDNHRTSA-N 515.027 5.222 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(-c3cccs3)s2)c(I)c1 2207260485 GDSCIOBBNQPBRM-OAHLLOKOSA-N 540.083 7.328 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)s1 2233032856 WOUIVNSPWITTHA-LBPRGKRZSA-N 534.026 6.275 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1c(F)cccc1I 2255902671 SRHCLEXPRNOJAC-CYBMUJFWSA-N 504.000 6.301 50 10 KKGE CCc1cc([C@H](Br)c2ccc(I)c(Cl)c2)sc1Br 2255990268 YYASCLXGVLIXJF-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC(C(F)(F)F)C1 2264517689 MTSZRMCKJIZOHF-POUYQYJTSA-N 549.870 7.450 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2scc(Br)c2Cl)c1Br 2264604809 IBLYCZMYZFOBRT-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2sc(Br)cc2Br)c1 2265968418 BTDKGPCIXICVDF-ZDUSSCGKSA-N 531.933 7.643 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2F)cc1I 2269541401 ICOOUZLNVLQEQP-AWEZNQCLSA-N 546.943 5.528 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 2293115918 NPARJZUUWNBRIG-UHFFFAOYSA-N 510.063 6.020 50 10 KKGE Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 2295195986 GQNLNWZYYNVBCB-UHFFFAOYSA-N 528.546 5.510 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2295945940 ZBZUWBZXDRJKPF-UHFFFAOYSA-N 510.833 7.978 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 2296507239 ZHZVOJPFAFSIBF-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CC(C)(C)OC(=O)N1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2296651301 YFWOQBJKRYYPKI-QHCPKHFHSA-N 510.421 6.389 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1 2297491201 XRMDDFNFKXYDEV-UHFFFAOYSA-N 538.354 5.586 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cnsc2Br)c1 2300334501 TWBBQYSJNRAKHR-JTQLQIEISA-N 504.867 6.109 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4ccc(Cl)c(Cl)c4)c3C)sc3c2CCCC3)cc1 2313543651 ZDHWNTSIORMXLN-UHFFFAOYSA-N 603.575 8.448 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 2314433802 ULAIECVQHLSVFR-UHFFFAOYSA-N 558.666 6.095 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2314485791 CEFGKWLSNDXREQ-SFHVURJKSA-N 529.070 6.491 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593070 GXTMBNUFCWAJRX-VWLOTQADSA-N 501.608 5.154 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593130 HWUGKKJENZQXRR-WXTAPIANSA-N 600.062 7.061 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593695 REQONEPKGBBMIU-QYBDOPJKSA-N 566.510 6.696 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314610165 DFLMLZXRWZTVNJ-UHFFFAOYSA-N 536.676 6.747 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(C)=C(C#N)C1=O 2314610424 IFPSYVYJLFGRQY-UHFFFAOYSA-N 543.465 6.474 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 2314618603 QFWGZZOZKXKAAG-UHFFFAOYSA-N 552.675 6.046 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634712 CCQJPUIQXIHIIB-SSEXGKCCSA-N 545.035 6.755 50 10 KKGE CCC(=CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 2321359371 RCBQMEKNESUZAA-SANMLTNESA-N 550.478 6.320 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)OC(C)C)c1C 2329663724 DDVXGKNAUJDTMN-UHFFFAOYSA-N 505.390 5.107 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331393832 WXSAEDMTCQGNFL-UHFFFAOYSA-N 512.975 5.475 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OCC)c3)n2)cc1 2331445211 UPHXVLPHCHTQER-UHFFFAOYSA-N 510.659 7.949 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 2331469904 JLKXWSQDOITYCP-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 2331474502 MTLFPPDLBXKEGQ-UHFFFAOYSA-N 519.848 7.015 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2331478761 VBPYGMLOPCJVBA-UHFFFAOYSA-N 517.695 6.836 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1sc(Cl)cc1Br 2345963147 GMIUTIYJAXNLBM-UHFFFAOYSA-N 509.872 7.007 50 10 KKGE Clc1ccc([C@H](CI)OCc2cc(I)ccc2Br)cc1 2367599231 BTLFCVYCOGBUCR-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 10683640 QBRXJBNJBYBCEH-KDYSTLNUSA-N 529.681 6.369 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 33599897 LNYWPMFDEOUIRV-STZFKDTASA-N 505.983 5.404 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)c(C)c2c1 38688333 DPEIBJNPDMUSHG-VWLOTQADSA-N 519.384 7.048 50 10 KKGE Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 40924910 UKWAWXYOBAVXMO-CCVNUDIWSA-N 508.068 6.593 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 58893171 XLARVWKRDWTVQN-YNAQZEJMSA-N 511.416 5.391 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccccc1OCc1ccccc1Cl 58991743 KEDPMMANFAUTLV-BRJLIKDPSA-N 513.000 5.679 50 10 KKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 59167249 BINKXALLBKAXGF-QCKNELIISA-N 500.385 6.264 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1 59680013 NMYNVKQBCOKRDG-UVHMKAGCSA-N 513.775 6.200 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100164000 DCURNQFLKRIIEV-UHFFFAOYSA-N 625.589 6.127 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1CSc1nc2ccccc2o1 100185253 NALJGQDXPADGPG-MUFRIFMGSA-N 542.642 6.206 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)c(C)c1 100185767 AGQMQJIKWOYPQL-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212186 QCDIFIDILWRYEJ-UHFFFAOYSA-N 582.676 5.327 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100336033 OCTXVVOYJVEKCK-DJKKODMXSA-N 550.223 7.558 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)cc1 101034082 GWRAOYBRBBZJDD-AQTBWJFISA-N 524.378 5.611 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034134 HIDVUBVFEJWREO-MHWRWJLKSA-N 569.358 8.022 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337393 BXKFCABRLCACLR-FFCJBUTOSA-N 541.431 5.742 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337621 KSKKEWQJQUKBLB-MOEMHDQYSA-N 542.639 6.682 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101367932 ACJWDGFOQDGKDE-HHHXNRCGSA-N 563.448 6.464 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 101368993 UUUVTASFIQERON-SANMLTNESA-N 527.374 6.048 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 101374482 FLIOQSJKKNHTDM-SSEXGKCCSA-N 546.595 5.996 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101374574 QHHHDEJWEBLWMI-MUUNZHRXSA-N 543.576 6.000 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 101375277 WVZCRYJLJWFGOZ-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1 101377929 MIBBAMYNCCDGIF-XIFFEERXSA-N 568.714 8.042 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383183 LEZKFVZMNJHZCS-HKBQPEDESA-N 553.014 6.430 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1C 101384397 NQFMEBUVQAXGJZ-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387411 AQTSMHBFSQQPNW-PMERELPUSA-N 587.459 7.327 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 101399581 BRAMQFXDICVNTN-SSEXGKCCSA-N 587.003 6.513 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc3ccccc3c2)c1 102349965 ZDPCIXPKGZJYIS-OYKKKHCWSA-N 554.668 7.335 50 10 KKGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C\c3cn(CCOc4ccccc4Cl)c4ccccc34)sc2c1 102471113 VWAHOYHPELOHNV-JXAWBTAJSA-N 577.087 5.933 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742896 NHWYMNJKXSZNCU-GPSDDGMOSA-N 597.332 6.585 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)CSc4nc5ccccc5s4)c3C)sc3c2CCCC3)cc1 103865743 PHHFCLNNVOGIIC-ATZGPIRCSA-N 613.834 7.447 50 10 KKGE C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103878109 LLHHDORGGVBYOI-UZWMFBFFSA-N 603.460 6.232 50 10 KKGE CCCCCCCCCCCC(=O)Sc1cc(C(Br)Br)ccc1C(Br)Br 150387339 KGKFPVCEDNSDEP-UHFFFAOYSA-N 636.126 9.803 50 10 KKGE CCCCCCCCCCCCCCCCCCNC(=O)NCCSSCCNC(=O)NCCCCCCCCCCCCCCCCCC 150388142 WBMXIGRJSYEWFJ-UHFFFAOYSA-N 743.310 13.489 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 150488736 XXHZTKVVKQESIM-YBFXNURJSA-N 694.263 6.117 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2ccccc2c1 164646593 DSNMQILOJIBRRY-KPGMTVGESA-N 669.313 7.695 50 10 KKGE CC(C)[C@@H](Br)c1nc2sc(Br)c(Br)c2c(=O)n1Cc1ccccc1 168670100 ZORDHXGRQRUFNB-GFCCVEGCSA-N 535.099 6.123 50 10 KKGE CN(C)[C@H](c1ccccc1)[C@@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 199828490 CRDKMPRXRRQNBW-UODIDJSMSA-N 659.495 9.666 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 205651985 WOOZXBYIGONFSW-XGRABPSDSA-N 516.553 6.324 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214337913 BVECAKUHOIUIAX-ABLHTGRPSA-N 574.656 7.211 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 214369516 WUVBDUMLOMTFCO-COEJQBHMSA-N 602.691 6.099 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 214387935 CJIIYKPQMQDMSW-QRQIAZFYSA-N 572.621 5.849 50 10 KKGE CCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214403867 ZYCRVYQPRNVDDF-BWAHOGKJSA-N 502.611 5.498 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=C/C=C/c1ccccc1[N+](=O)[O-] 254391395 ZMGRSKAQGOBNFR-LTPMMCRSSA-N 521.649 5.799 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cc(Br)c(Br)s1)CCO2 308411684 GFVOAPMOJRHRDJ-LBPRGKRZSA-N 531.889 6.455 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590363 QXQZQDMMTWVWDX-VRSORNKBSA-N 654.920 8.706 50 10 KKGE ClCCc1nc2cc(Br)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705613018 XOTPTZDLSPMLLS-UHFFFAOYSA-N 525.878 5.447 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725385636 ZYLHLJFFDZTGQV-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 1083956046 NQZJLYNVEPIPSH-UHFFFAOYSA-N 617.555 5.167 50 10 KKGE CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084018854 ITZIERGMGYCFSJ-UHFFFAOYSA-N 639.025 5.567 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1084063912 DNOBVWMIPZSXNT-VWLOTQADSA-N 602.469 5.550 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084175872 OFNRUIFRIPPVFW-UHFFFAOYSA-N 609.247 7.086 50 10 KKGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 1084251051 XBIKTMUQCNZVTI-UHFFFAOYSA-N 505.647 5.838 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 1084321656 DWSMBBCAMFPGDH-UHFFFAOYSA-N 690.379 8.163 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084334559 PBTIDAADHUPXKB-OVCLIPMQSA-N 659.987 8.406 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)c3cc4ccccc4o3)cc2Br)c1 1084342421 FNWYCSONIULXFR-UHFFFAOYSA-N 542.227 6.609 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1084472142 ZRNLNPMWWSIIOR-MUUNZHRXSA-N 561.635 5.664 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 1084493042 IUXSAIRDHLYDRU-NDEPHWFRSA-N 608.476 6.386 50 10 KKGE CCn1c(SCCCC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)nc2ccccc21 1084579772 ULAYPUFYFGTUOC-UHFFFAOYSA-N 540.281 5.309 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 1084630972 UJYQNZNSDGXIAD-UKWGHVSLSA-N 525.388 5.923 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357457 CRQINLQHLROTFQ-RIURJSNOSA-N 555.315 5.912 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685092 FKROMRXVKMCJNJ-JOCHJYFZSA-N 502.933 5.567 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Cl)c(Cl)c1 1865692816 JBACGWWMDUUACB-JOCHJYFZSA-N 513.425 6.147 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccc(Cl)c(Cl)c3)cc2)cc1 1865693213 MJBRFXYVKBRCOJ-HSZRJFAPSA-N 571.386 7.304 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865693923 MXZZCQWGYKSHJG-GDLZYMKVSA-N 528.612 6.708 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OC 1865697670 ZALBDXURTYDTSJ-MUUNZHRXSA-N 554.622 6.152 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865703629 XJDAVWCDXHZOJA-SSEXGKCCSA-N 542.614 6.843 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865706749 DUFGVLMCCXZYCD-WJOKGBTCSA-N 572.112 7.496 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866682066 WFCXCKZVRBLCGO-NSOVKSMOSA-N 522.630 5.053 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199275 ZDOQHEDBHQDXCD-FTJBHMTQSA-N 566.521 6.224 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@H](CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867219574 LLMVANMRCQSDFI-IZZNHLLZSA-N 522.070 6.367 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4cccc(Cl)c4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456880 VYIQGZMXJXBIHJ-UHFFFAOYSA-N 532.044 7.301 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745385 KRJQSLHSQOPGKQ-WMYZDNAPSA-N 503.580 5.331 50 10 KKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745934 KKPFUZTVMNQPJO-HWCXCKHPSA-N 508.397 5.686 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752849 WEFJDYKFMYWCLT-CJJSWDBDSA-N 505.777 6.215 50 10 KKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915789284 UYIHCAUXCGZIPG-UHFFFAOYSA-N 506.609 5.714 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)c1Cl 1925586865 DPVFTBJCXMJDKC-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)c(Br)s1 1939962534 NNZCFHVEAYVYEX-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE CO[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780171 PNRXNJASZWUNPT-ZJKWWJTRSA-N 556.712 6.208 50 10 KKGE Cl[C@@H](c1nscc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492566 NFTBHXCJZIDVFA-SECBINFHSA-N 604.181 7.284 50 10 KKGE BrCc1ccc(Br)cc1OCc1c(Br)cccc1Br 2094093922 WEZPEBPNCQPMIA-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1ccc(Br)c(C)c1Br 2138850820 IKTANBXAYABZAE-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(F)c2I)c1Br 2138873756 ZMEBMGQSKGTTJI-CYBMUJFWSA-N 518.389 6.592 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cccc(Br)c2Br)cc1Br 2202350571 FPJMXWWRFXPNFY-AWEZNQCLSA-N 503.843 6.964 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cccc(C)c2I)cc1Br 2202354083 VVJMUJZYLRHTKN-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCC[C@H]2OCC3)c1Br 2206397253 HCNZUHYTMLROGN-IIMNLJJBSA-N 596.777 7.132 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1 2206397679 LUTAZVJQRHNIRY-CYBMUJFWSA-N 590.773 7.838 50 10 KKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398163 RNJGDVJQTBRHMT-SXMVTHIZSA-N 598.793 7.378 50 10 KKGE COc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)cc1C 2227733758 WBEYASALOFHQPU-NSHDSACASA-N 533.905 6.837 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)c(F)c1Br 2227803728 BXXBFKAMFOMZHU-MRVPVSSYSA-N 543.822 6.937 50 10 KKGE Clc1ccc(I)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2229150011 BCKITKZYBYFKLH-LBPRGKRZSA-N 534.844 7.039 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(C)ccc2I)cc1Br 2241002757 XCFWPRNAVJILLI-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Cl)c(Br)s1 2247957624 KNHGAEZYFJHCKV-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1I 2248219733 AZQZHVWQNIZZDH-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCC23CCC3)c1Br 2266134579 XDGMDBZXSXQNJI-WRWORJQWSA-N 580.778 7.753 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)c(F)cc2Cl)c1Br 2270435631 YRFFNWLBFKSODQ-JTQLQIEISA-N 511.863 7.465 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(I)ccc2Br)c1 2277960285 ZFMLYADJWUIZFU-CQSZACIVSA-N 623.746 7.257 50 10 KKGE CN(Cc1ccccc1I)c1c(CBr)ccc(Br)c1Cl 2280258441 SUCJZNSQVKZSSM-UHFFFAOYSA-N 529.441 6.238 50 10 KKGE CON(C)C(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C[C@H]3O 2294818769 XZQBRLRNHXZLEG-RIGCEDDYSA-N 674.055 7.997 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295335821 OECMCSMPQKSXEH-LLVKDONJSA-N 533.830 6.931 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297488317 FDFWWDXAKQEXAE-UHFFFAOYSA-N 550.924 6.528 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2298420705 YOKOQVCFJZMIPW-JVZYCSMKSA-N 507.911 6.908 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 2313548693 CGQNTUZCXBWCRG-UHFFFAOYSA-N 523.589 6.877 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)cc1Cl 2313631790 VUCMWMKGIVZYHG-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592291 QBQJKRNWVZDNHB-RUZDIDTESA-N 502.039 6.330 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593237 JYFFQTAPMKDLQM-IQGLISFBSA-N 518.038 5.652 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314610903 OBZZKQZJAKNUAI-UHFFFAOYSA-N 577.084 7.164 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618591 QDHPRRCFSRGICD-UHFFFAOYSA-N 502.954 5.703 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314618968 XNDADFVKPUISCB-DEOSSOPVSA-N 534.619 7.046 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)s1 2317394700 AGULMMZAXUZOLT-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242852 RJGPVXANPGTWPX-FQEVSTJZSA-N 521.620 5.038 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C(C)C)cc5)cs4)cc3C2=O)c(C)c1 2331340206 PXDICFVBTQDKQX-UHFFFAOYSA-N 519.626 7.301 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c1 2331376576 UYBGVRZOGGNJLT-UHFFFAOYSA-N 503.580 5.477 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331455659 DZUWNNLBOILMTK-UHFFFAOYSA-N 523.630 6.058 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1C 2331468564 YNOCHNPZJGCZJU-UHFFFAOYSA-N 519.497 8.994 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336041363 NJYHHRAYLHAOCR-FQEVSTJZSA-N 502.580 7.444 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(I)c(Br)c1 2365188312 JZPRROIJOINMTD-GFCCVEGCSA-N 641.736 7.511 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sc(C)c(Br)c1C 2365226988 ALEFJKRHTGITGI-LBPRGKRZSA-N 549.923 7.584 50 10 KKGE COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)n2-c2ccccc2)cc(OC)c1OC 2705028 CIGUQYOKJIZQHX-IBBHUPRXSA-N 571.581 5.221 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 29491694 ARZAFDCJVXFKHV-LHLOQNFPSA-N 567.715 6.204 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 33570922 QHUNQVGQLVNWQO-QPQMVVSWSA-N 518.436 5.192 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650899 OQSXGQSKFLBKSJ-GDLZYMKVSA-N 504.542 5.712 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650932 IQUPRKRDIXFODJ-NDEPHWFRSA-N 519.513 5.611 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 38651734 LOVMPALNMRUPEL-RUZDIDTESA-N 505.368 5.269 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38660301 FGKRVRGEMAMVMO-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38685472 LPNOGRWJWCBHNC-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685516 QTNXZVALBHXNBK-URAOTHONSA-N 526.633 6.409 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 38701207 SPWFTYIDSHCYDJ-QHCPKHFHSA-N 511.361 5.838 50 10 KKGE COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 40858892 FZKKASLEKRNRPH-XQNSMLJCSA-N 517.610 6.750 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 58890174 XHBJWNWRPKXDMV-WHXCVRPHSA-N 515.379 5.140 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)cc1 59303709 LVONRTPFHIUSHG-RDRPBHBLSA-N 501.428 6.045 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 72131498 RNQDQJFAEAQNIS-IOXPMDAXSA-N 633.398 12.083 50 10 KKGE in-vitro CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100194157 UQXJQFGZMYNKCH-UHFFFAOYSA-N 625.589 5.983 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccccc3Cl)nc12 101115552 FYUQQZCBDVQVLK-VBKFSLOCSA-N 535.785 5.757 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240863 OUXVIUVNUGKLTE-KVILUOORSA-N 536.484 6.298 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 101241846 MALBUDAHMRPEGX-SSXUBFHHSA-N 502.423 5.121 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 101374467 PFFHQKKGHYWPRD-SSEXGKCCSA-N 563.050 6.510 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101375611 FJESGVRYZHCJJJ-MGBGTMOVSA-N 584.713 7.661 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1Cl 101385560 DRVHAXPKBGKEIU-PMERELPUSA-N 569.013 6.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386296 WWJTZCGEBMQKPA-KKIUXKEOSA-N 601.030 6.658 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1Cl 101394071 HHCXSYHUCZUIGT-XMMPIXPASA-N 588.285 7.372 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101395713 BJMWGORKQBAXID-SSEXGKCCSA-N 570.617 7.285 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc6ccccc6oc5=O)ccc43)cc2)cc1 101397402 LZCLUYJTMFWVEV-WJOKGBTCSA-N 556.574 6.118 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399554 SQRJIVBHKPILKE-YTTGMZPUSA-N 625.052 7.867 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(=O)OCC)c1C 102924607 JPVHTGLFWRNXBI-FOWTUZBSSA-N 514.028 6.330 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103742014 TUQHYVJCHJXINH-SLSCBCEPSA-N 587.326 6.499 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cccc(I)c2)c1 104041668 ILCZLLRCQHACJM-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105069344 MYPMWCZBGXTUFH-ROPCREHHSA-N 588.274 7.862 50 10 KKGE C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc2ccccc2c1 105466476 KGQRSJDQWHLHCX-DICXZTSXSA-N 526.228 6.437 50 10 KKGE CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C 118920361 UISXOAJBTYXLPL-WGTDOLRSSA-N 633.701 6.787 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 150388353 LCDUTTZEBAZNEG-UHFFFAOYSA-N 627.767 5.947 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 150441726 YMKQKPRDMGQFFA-QNGWXLTQSA-N 643.139 8.273 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150462373 MQJTZOOVZOBVBB-LJAQVGFWSA-N 656.349 8.715 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 205782251 RKKHEMVLNFTAFX-NIMQULRPSA-N 696.785 6.044 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214377706 AXXOXVJZQWRWGO-ZXSNDDASSA-N 604.710 7.528 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 214399767 DHJJVFPVLHTKCT-YQYKVWLJSA-N 584.676 6.256 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccc(N2CCCC2=O)cc1 253568313 LBGISTHDLLWLGV-JWHWKPFMSA-N 566.750 6.543 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253570907 OFWJPDDXYIZYBE-PJJLUWSFSA-N 521.711 7.599 50 10 KKGE CCCc1cc(C(=O)NN=Cc2ccc(OC)c(CSc3nc(C(F)F)cc(C)c3C#N)c2)cs1 254395444 MNAAQIAKGRXEIN-UHFFFAOYSA-N 514.623 6.278 50 10 KKGE O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(-c2ccccc2O)nc2ccccc12 254516632 LRYCGPBWYIDUML-UHFFFAOYSA-N 523.596 6.283 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1Cl 256017583 UQFYSPCQUOWPQB-GOSISDBHSA-N 501.410 6.115 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 404959413 USAJFNHKDJHZDI-JTQLQIEISA-N 500.805 7.886 50 10 KKGE Cc1ccc(S[C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 575431943 WVWWUFMFIQABLU-DJLQKWJRSA-N 705.005 7.920 50 10 KKGE Fc1cc2c(cc1I)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705617560 NNSGZADFKXHKPR-UHFFFAOYSA-N 589.880 6.033 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(Br)s1 721592125 DWICAYYJCPERPK-JTQLQIEISA-N 615.748 7.125 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 725431947 UBTVTXHRJFNNCJ-JOCHJYFZSA-N 566.279 6.307 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 1082989077 CYCXNYZFHHBLFQ-ZPHLSHKRSA-N 569.253 5.395 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 1083936823 DVHXWGVRCGNYKP-VWLOTQADSA-N 555.027 5.379 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 1083986872 GBZHGZNSWYWTKI-XMMPIXPASA-N 531.436 5.944 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1083995740 DDXHUOWKCXOZDK-UHFFFAOYSA-N 673.891 7.538 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084012245 DFSVXKPPQHGWQI-UHFFFAOYSA-N 508.166 5.295 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084194497 YUGFQEGKWWMDQD-UHFFFAOYSA-N 589.039 6.112 50 10 KKGE Cc1cccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)c1 1084201091 XPZCUBCNIZEFHX-QGOAFFKASA-N 503.389 6.441 50 10 KKGE O=C(NN=Cc1cccc(Cl)c1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3cccc(Cl)c3)cc2)cc1 1084413498 KQPBZSUZQGUPKO-UHFFFAOYSA-N 579.465 5.354 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084418204 APCANEINNXODIG-QHCPKHFHSA-N 529.406 5.530 50 10 KKGE CC(=NNC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084613234 VMJOMKRICQXZQV-AHPZMPFVSA-N 546.534 7.049 50 10 KKGE CC(=O)N(C(=O)N/N=C1/c2ccc(F)cc2C[C@H]1N(C)C(=O)c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1 1614360629 HWFWSXSNASMKCP-YMOGFNOQSA-N 560.479 5.027 50 10 KKGE CCOc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720223 JJZQWMMZAAVGOL-UHFFFAOYSA-N 830.844 5.355 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744880 LWPSFMQVELJWGQ-UHFFFAOYSA-N 536.588 5.809 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747077 CUGGBGLQUINRMK-UHFFFAOYSA-N 592.777 5.477 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748848 FFHPFHHCEVQDCO-UHFFFAOYSA-N 628.296 5.277 50 10 KKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772749886 QZEGSXTUALNDFA-UHFFFAOYSA-N 515.393 5.966 50 10 KKGE Cc1ccc(OCCCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(Br)c1 1772755464 IQBOANAGBBNKSC-UHFFFAOYSA-N 560.286 6.408 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865691064 IKKHYOCDILGTBB-HHHXNRCGSA-N 522.605 5.954 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695395 OBXWNPHKQUGLEQ-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865696718 QMMXLVBPWCVIHX-GDLZYMKVSA-N 552.650 6.923 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703855 HASWVHNDWIBJMK-SSEXGKCCSA-N 547.058 7.429 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703871 HPTRNMCVZHBALP-SANMLTNESA-N 572.974 7.495 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703959 JORZMICFVGEMOR-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865704015 KSGVSRXMQSQUGR-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccccc2)C2CC2)cc1 1866719514 GVSKHKARCDOABI-RRPNLBNLSA-N 515.704 6.200 50 10 KKGE CC[C@@](C)(NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867214754 VJQAAKGOQOJTGT-XUZZJYLKSA-N 502.478 6.076 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1868341970 GFWWSLCSHZUAAP-QHCPKHFHSA-N 512.683 5.772 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@@H]2c2ccccc2)n1 1868388329 IQTBMAGBAFTBRU-YTTGMZPUSA-N 519.718 8.021 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)C2 1868432918 AWLQVSACVYAFBQ-UHFFFAOYSA-N 558.107 7.429 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746627 QGGYEXZWHALREJ-HFBCPUAESA-N 505.621 5.338 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872753356 SZKPKLPTFJNBON-ROMGYVFFSA-N 508.640 7.135 50 10 KKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758149 NFPGPIOTSSSWPD-UEBMVEOSSA-N 512.418 6.620 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 1873921090 UUZYCJHSEAKKTK-AIBBPYECSA-N 521.598 5.827 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922896160 CFKGHYMLWDOADD-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2Cl)c1Br 1922896396 DXCZROXYBXLFIS-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)sc(Br)c2Br)c1I 1924604577 DRQUGKDNOCKWLT-YFKPBYRVSA-N 619.740 5.858 50 10 KKGE Brc1sc([C@H](Br)c2sccc2I)cc1C1CC1 1945803596 LSMOOSFOHLHGHZ-JTQLQIEISA-N 504.050 6.538 50 10 KKGE CCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025783312 SXMRRAHKXSETBL-LLVKDONJSA-N 510.289 7.207 50 10 KKGE Clc1cccc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2050320528 UIGNZZVXECKFTQ-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061009501 XMSCGAAHYUJGLL-LKHWLPBLSA-N 523.910 6.429 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccsc2Br)c1Br 2085496635 XJFRGVSAQWDPAA-QMMMGPOBSA-N 647.644 8.045 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1Br)C1CCCC1 2092336672 AHBAHNQBNVHAKL-UHFFFAOYSA-N 517.925 6.721 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2ccccc2Br)c1Br 2138851458 PMWQDOWFCSUBGH-CQSZACIVSA-N 511.877 6.961 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2(CC3CC3)CC2)c1Br 2141472937 JNCAQKWHFRVONS-CYBMUJFWSA-N 580.778 7.753 50 10 KKGE BrC[C@@H](Cc1ccccc1Br)Cc1cccc(Br)c1Br 2148760279 KXULDBQPURTHCZ-NSHDSACASA-N 525.904 6.770 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CC2(CCCCC2)CO1 2166259614 CQXNSDAFEGEYTL-WPRPVWTQSA-N 507.513 7.102 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2206408663 KSFWYILIHPICAU-ZDUSSCGKSA-N 678.609 8.323 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 2227356870 SZFCNWVNGHUOBH-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE Cl[C@H](c1cocc1Br)c1c(Br)sc(Br)c1Br 2244211595 ZDCGZELPMLJMMK-SSDOTTSWSA-N 514.258 6.719 50 10 KKGE Cn1ncc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1I 2263518126 ZRWREMFTNZNWLI-NSHDSACASA-N 548.842 5.228 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(I)ccc1Br 2264358621 COOIKJCTSUPXBD-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277958580 IDLKQYWXJJRRDZ-AWEZNQCLSA-N 532.295 7.306 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2297458661 QWDLRHHCGAMRSQ-XMMPIXPASA-N 540.447 5.918 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2297458665 RBBOPARJSZWUTF-NRFANRHFSA-N 577.287 6.092 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cccc(Br)c2Br)s1 2300953091 FLLAFGQKXMQGLR-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2307417361 KZYOIIZVDQGGMI-BWDYXRCQSA-N 509.883 6.039 50 10 KKGE CCOC(O)=C(C#N)[C@@H](c1ccccc1F)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501664 JXNBDZWWPRADRK-PKTZIBPZSA-O 511.371 5.169 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2313571355 UGSZYEQHEWEJAM-UHFFFAOYSA-N 548.386 7.042 50 10 KKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646639 HIYQFLTYJLUGJH-MUUNZHRXSA-N 602.716 5.381 50 10 KKGE N#CC(=CNc1ccccc1Sc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603006 PQUZANGIAPAETJ-UHFFFAOYSA-N 530.697 6.591 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)CC2=O)cc1 2331396235 AFYDOOLZQCAOPN-QFIPXVFZSA-N 513.707 7.604 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OC)c1OC 2331413613 DQSHLRPMTVKDIC-UHFFFAOYSA-N 508.556 5.294 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccccc1C 2331478935 JBKBTXLYRTYUJU-UHFFFAOYSA-N 522.714 8.766 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336083407 JXBRINPWPNBXBG-OAQYLSRUSA-N 515.072 8.081 50 10 KKGE Clc1ccc(OCc2cc(I)ccc2Br)c(CBr)c1 2341780291 OLGKDXYPLWKBHS-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1scc(C(F)(F)F)c1Br 2364236632 SBDQGBDLHJYWPR-LURJTMIESA-N 517.390 6.116 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2csc(C)c2Br)c1Br 2369482785 PYBOESCHCXRVKJ-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1ccc2ccccc2c1 8576025 USBHZXBMRDYYOM-OAQYLSRUSA-N 506.635 5.664 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(OCCc2ccccc2)cc1 14041583 IZMODKHXIWAJER-UHFFFAOYSA-N 519.395 5.064 50 10 KKGE O=C(Cc1nc(CCl)cs1)Nc1c(Br)cc(Br)cc1Br 37302784 NGELUVBFURNNIF-UHFFFAOYSA-N 503.441 5.351 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)c1 38684562 NXUXOHOMFFQKHB-GDLZYMKVSA-N 510.590 6.258 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)o1 38688686 XVWRJARSQGTTKH-QFIPXVFZSA-N 505.324 5.843 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38700801 BGXVYJDCXMYTGH-LJAQVGFWSA-N 522.601 6.974 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701122 UDKSFHIVGJKPQT-IZLXSDGUSA-N 512.562 5.075 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812936 MJWZCISBCZPVQW-VUTHCHCSSA-N 518.367 5.588 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1Br)c1ccccc1Br 72231278 XVXQNDBWZBSPGK-ZMOGYAJESA-N 501.178 5.228 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100092064 OEPRKOGOPHTEQH-UHFFFAOYSA-N 584.264 5.637 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 100237145 KBOTXOBSIFNDDP-ZZJXEYPFSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1 100238510 RLBVKSHCEKILTO-DVMDLWDRSA-N 620.459 5.771 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240811 BYAXJAHGPUULSB-GHRJURJJSA-N 509.675 6.115 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101341052 PFVIYKQQNIRCAE-RDRPBHBLSA-N 590.611 5.413 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1C 101362569 DYSOXQNBEHYNFE-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OCC)c2)cc1 101373994 JUZASRPYXVSFBI-PMERELPUSA-N 540.616 6.266 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101377479 AHRIPKPQKXGJOU-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380853 UIUKKXGBVMAZBL-HKBQPEDESA-N 550.586 6.629 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101381021 JKABFRYTCUCCAD-PMERELPUSA-N 536.559 6.241 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382862 OZULRRUMSRELDV-WJOKGBTCSA-N 567.041 7.144 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384509 PBTOZYNKUPLZIB-DEOSSOPVSA-N 612.482 6.303 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101387681 RQPOUYRCIVOOJT-MGBGTMOVSA-N 562.622 6.175 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597444 MALZVJXARQCBRG-WGPBWIAQSA-N 534.528 5.725 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1Cl 101614776 MGFUQXXEGITPHB-IURWMYGYSA-N 527.824 5.792 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 101683330 FFRAOLIAPLXPJN-DEDYPNTBSA-N 554.868 7.457 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc2ccccc12 103878747 IDWYOYZTMDEGTQ-DPNNOFEESA-N 569.455 7.429 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1ccc(I)cc1)OCCCO2 109865023 HSGDQHNVSHKILZ-INIZCTEOSA-N 523.990 5.699 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433533 KMDQLOUWEOJGBT-UUWRZZSWSA-N 659.566 8.443 50 10 KKGE CCN(c1ccc(S(=O)(=O)O)cc1)S(=O)(=O)c1cc(O)c2c(/N=N/c3ccccc3S(=O)(=O)Oc3ccc(NC(=O)CCl)cc3)c(N)ccc2c1 159638143 OJMHLRYUUXUNOH-BSRQYYOTSA-N 774.255 5.950 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5c(Br)c(Br)c(Br)c(Br)c5C4=O)cc3)ccc21 164192593 LXGVBXQUWKIRSZ-UHFFFAOYSA-N 700.915 6.640 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)c(C)c1 214225842 BFHZCUUYAFWJBP-USHMODERSA-N 522.649 6.419 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1 236061939 HOOSZULXBGMFGT-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 252608840 HNVYDILJPGMXJV-UHFFFAOYSA-N 617.986 6.438 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccccc2Br)cc1 252629777 UNMZSLZNAKEGSB-UHFFFAOYSA-N 522.402 6.772 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)S(C)(=O)=O)cc1C 254391520 HCBVFSSOFMVJRT-UHFFFAOYSA-N 546.605 5.202 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c(OC)c1 254443735 JSQVOECWJBXLPC-UHFFFAOYSA-N 564.594 5.391 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(/C=C/c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 254568086 WUMPMFXIFJDDFE-ZGHZJFAMSA-N 500.602 6.480 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)cc1 254748626 BMVZPJRRPJCAAY-UHFFFAOYSA-N 655.776 7.587 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 254754148 CYCNHWSREOSUPG-UHFFFAOYSA-N 544.607 6.476 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nc3ccccc3c2=O)cc1 254797940 KBUFBNLDSKZAIV-UHFFFAOYSA-N 544.636 5.943 50 10 KKGE Cc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1sc2c(c1C#N)CCCC2 254877889 LRCYPAKAJMMOHK-UHFFFAOYSA-N 529.544 5.526 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616587917 VDGXXUHIBDZWQR-MUUNZHRXSA-N 526.914 8.246 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1 616593309 BZCAUOHQOZGTIF-NDEPHWFRSA-N 507.772 7.134 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)s1 688087424 SISCGUAPCOFLJP-VIFPVBQESA-N 539.934 6.728 50 10 KKGE Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1cc(I)cc(I)c1 690418612 DOHYEZGWEOMRMJ-SECBINFHSA-N 513.544 5.113 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1 725441907 HYLMWPRUONNDFX-UHFFFAOYSA-N 549.096 5.397 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1083901394 GOYMMPNZWWBENI-YDZHTSKRSA-N 531.837 7.689 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1083933224 PVFCFCVYVMVYQD-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4C)c3C)cc2)S(C)(=O)=O)cc1C 1083962954 MMPMPODTIYTXOS-UHFFFAOYSA-N 542.705 5.750 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084003330 DCGKBCWDXVARMA-UHFFFAOYSA-N 551.002 6.902 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1084049957 YITPSIVDHYNJFN-XMMPIXPASA-N 682.309 5.904 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 1084097620 VYKVMMKNWRCNPO-VXLYETTFSA-N 525.786 6.234 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Cl)cc1 1084150518 KHTFODVAOCBHKW-HZHRSRAPSA-N 506.433 6.137 50 10 KKGE COc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1OCc1ccc(Br)cc1 1084212159 VKDIKHKTQJYQRA-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084323676 KQTKEVIHVKBJCM-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1 1084349834 CUBUYEQGTNSXNC-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1084379177 BNDHRWNZZBFWQW-UHFFFAOYSA-N 578.419 6.574 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084386982 SBSNOCQHTYUUFR-XMMPIXPASA-N 583.766 5.192 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1 1084403583 CRZKKNMOYGGLCA-RGVLZGJSSA-N 572.830 6.695 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 1084443773 TWUPTUWAUTWDLK-PXLXIMEGSA-N 550.873 8.179 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1084503263 BQIGPDQGOWCRLC-UHFFFAOYSA-N 558.395 5.790 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4cccc(Cl)c4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084540970 YMFNPEPZGQSVPV-YIIWZEITSA-N 560.119 6.727 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O 1084559957 JWBGCGKXJALIMP-UHFFFAOYSA-N 502.546 5.089 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084601897 LWLITMOBRYTNDI-UHFFFAOYSA-N 517.796 7.135 50 10 KKGE Cc1c(Br)c(C=NNC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 1084648234 RUZURZQANNWZAB-UHFFFAOYSA-N 539.655 5.802 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653254 YBDBRYCWRSIXNR-DOBDGBOWSA-N 564.538 7.420 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748375 WORIRDSTDJAJOC-FQEVSTJZSA-N 535.619 6.846 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1772754973 DJESVNDWRSWBOT-UHFFFAOYSA-N 607.382 7.701 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865686851 CLOCCTRPBVBOEP-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689703 CREDDVHPRIMEAB-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692934 JXXAYMIFBFCCCI-SSEXGKCCSA-N 512.613 6.694 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865693563 WWIPLKLRAIVEEY-QFIPXVFZSA-N 538.446 5.388 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694833 CVWSMBKVQHJIPC-VWLOTQADSA-N 503.389 6.285 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700962 IHXFCCCOQPGOKU-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865701841 GOVHVWUXPRSLAR-QFIPXVFZSA-N 517.358 5.668 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714072 BYLLNFNAGSZZMZ-HSZRJFAPSA-N 547.930 5.231 50 10 KKGE O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)N(CCCl)CCCl 1866302453 RXSLUQFAWWDUMX-UHFFFAOYSA-N 605.730 5.355 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866704448 CSPWTCSDNXZHGN-URLMMPGGSA-N 552.725 6.038 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866758689 YNBUKQMWDYFINR-KAYWLYCHSA-N 552.165 7.100 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867087838 LHCWMGSOEFZGAN-HKBQPEDESA-N 572.690 6.013 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1868301081 KEBWAZOWLYBUME-VWLOTQADSA-N 558.505 7.109 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](Oc4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415298 XEZFVXCSHMYYSY-QFIPXVFZSA-N 514.054 7.162 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456870 VSLDOYWYUYMHGU-RUZDIDTESA-N 551.691 7.408 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4ccc(Cl)cc4)CC3)n2)cc1 1868528535 USHSWQFOBHBFHG-UHFFFAOYSA-N 558.107 7.560 50 10 KKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n1)CC2 1868545543 ZKBOOTHAVGMJNF-UHFFFAOYSA-N 537.689 7.469 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc(Br)c1OC 1872749998 RSLDESIGYFROIU-LJMHTFSHSA-N 501.377 6.543 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)\c2ccccc2)cc1 1872755121 ZCYPADHBTTYEHU-XJBRANNNSA-N 508.643 7.868 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872780479 AGJBNBWPWCSHBW-XSFVSMFZSA-N 510.059 6.564 50 10 KKGE O=C(c1cc(I)ccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915760559 QEEZWPGLWCCEQO-UHFFFAOYSA-N 563.071 6.014 50 10 KKGE Fc1ccc(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924594975 RRFILFWMJMTUGL-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596904 VLCLSSXVRYNJQX-MRVPVSSYSA-N 694.644 7.887 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)c(Br)s1 1925568766 MHSCPSLMSZSMTC-YFKPBYRVSA-N 520.320 7.732 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 1925592688 FHRWZCUQZFVJGY-OAHLLOKOSA-N 507.074 7.881 50 10 KKGE FC(F)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995046792 BCVGMYLSJPWXMH-ZETCQYMHSA-N 510.167 6.579 50 10 KKGE C[C@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995285845 LPBJTBYPGJETDB-CYBMUJFWSA-N 506.609 5.714 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)sc2Br)nn(C)c1Br 2002830264 PJGIGTAWVXPJAC-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCC[C@H]2C3)c1Br 2085495497 QWCJYFFINIKQHY-MYWNEDRFSA-N 566.751 7.363 50 10 KKGE CC(C)[C@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121070484 NUGJEMAKHVOQFJ-NSHDSACASA-N 563.857 5.489 50 10 KKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2123201448 WXWMDNKFLUBAND-ZDUSSCGKSA-N 535.348 6.419 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2169660760 DZEZPHNFOUNXIT-CQSZACIVSA-N 511.954 5.612 50 10 KKGE CO[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206393723 ASMMRAADYARPNT-WFEFGEHDSA-N 554.342 7.222 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCC12CCC2 2206398468 VJZOSYKXSJUFIQ-XLKFXECMSA-N 550.354 7.987 50 10 KKGE Brc1ccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206400689 SHGZPAYLKBPDOC-VIFPVBQESA-N 655.642 8.178 50 10 KKGE CCC12COC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206403482 ZYPZOOMULNUOGU-IYXRBSQSSA-N 596.777 7.132 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@@H]1CCCBr 2206653311 VXHCURXAAJJHGM-GFCCVEGCSA-N 515.027 5.224 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2207272008 LJYBLPLQWZLBDW-QGZVFWFLSA-N 508.035 6.737 50 10 KKGE CC1(C)C[C@@]1(Cl)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2222046454 AAMPULBINHDCJW-ZYHUDNBSSA-N 544.734 7.424 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2234057569 MNKYCKGLSVBZFD-LHSJRXKWSA-N 511.689 6.482 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)c(C)c1Br 2235613229 VVZLWWCOJKVFKY-CYBMUJFWSA-N 529.896 6.117 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238083586 ZRFGHEOZBAIEJI-HNNXBMFYSA-N 572.860 6.235 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)co1 2244201324 PYFFOOPTVSVUJJ-ZCFIWIBFSA-N 514.258 6.766 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1 2294619880 GIAQXYAXCWXZQX-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295277287 PBWQUYSYUUERRP-LBPRGKRZSA-N 505.834 7.289 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)c(Cl)s1 2295372062 DZFWVZFGGFGARP-LLVKDONJSA-N 523.899 7.381 50 10 KKGE COc1ccc(C=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1COc1c(F)c(F)c(F)c(F)c1F 2295672254 GOHOVXQAMHPJQH-CQSZACIVSA-N 502.439 5.754 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2)cc1I 2313510989 HTSVXDUUWPPBAT-UHFFFAOYSA-N 556.141 5.006 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 2313568834 XQMFOXUYCXGHNL-UHFFFAOYSA-N 591.218 6.626 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519441 OVXGWSXUDOSPMX-UHFFFAOYSA-N 525.593 7.788 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592096 LTRYLFAHNDTARM-LJAQVGFWSA-N 523.702 7.019 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592499 VOFMNINKOWMRST-NDEPHWFRSA-N 525.674 6.500 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593687 RCEOSUWHCUFDEN-IBVKSMDESA-N 549.618 6.626 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593760 SHAFLAPCJMRCIM-DWXRJYCRSA-N 550.511 6.859 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314610193 DSXJEUAJVKLAAB-QFIPXVFZSA-N 522.649 6.417 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314617112 QXRPWCJNDPEUIG-UHFFFAOYSA-N 544.586 6.036 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Br)o2)c1Br 2315449239 MJCOROHXXJPQBU-VIFPVBQESA-N 526.219 6.844 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cscc2OCc2ccccc2)c1Br 2315453249 KZSLKWODJGDGPS-KRWDZBQOSA-N 525.064 7.973 50 10 KKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2336083789 NJGUEENTBMAQFO-NRFANRHFSA-N 541.077 7.284 50 10 KKGE Clc1ccc(C[C@H](CBr)c2cccc(Br)c2)cc1I 2337220881 IHCNTELJTUBKGT-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE ClCc1ccc(OCc2ccc(I)c(Br)c2)cc1Br 2350077697 WRDIVXLWJRSBJZ-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE C[C@](CBr)(OCc1ccc(I)c(Br)c1)c1ccccc1 2377612970 TXSJANFFONAOLS-MRXNPFEDSA-N 510.007 5.881 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)c1C 33497137 LEPKGVNRNSJXKI-FQWZWQHVSA-N 524.621 5.352 50 10 KKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3ccccc3oc2=O)cs1 35519711 IUSDCHODCBCOTJ-WQRHYEAKSA-N 512.572 5.455 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 38684328 LQLFLOKPSFNMNX-GDLZYMKVSA-N 512.606 6.256 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)oc2c1 38700574 GSRSLGHELYCKSD-DEOSSOPVSA-N 519.384 7.102 50 10 KKGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39858566 KLHRSFDTMVLXFI-SSZFMOIBSA-N 506.440 5.060 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1 58894536 BYVXVCYMRWQLQZ-NNVPUZBJSA-N 512.448 5.528 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59154011 ZRUBSRQZTJNZTN-HINPGWETSA-N 502.785 5.481 50 10 KKGE CCOc1ccc(/C(C)=N\NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59377028 UTMCHJWLSJGVIA-PKAZHMFMSA-N 520.438 5.128 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F 59679931 YMOADUWIOTVUSB-WKULSOCRSA-N 507.359 6.406 50 10 KKGE O=C(COc1cccc2ccccc12)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 96401647 FXEMOPKXJQOCFV-XZALUDAMSA-N 502.014 5.438 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100172599 JGGCAGIHRCOBBB-UHFFFAOYSA-N 559.288 5.895 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1I 100452038 OVEDVVSWMYNRMG-KGLTWBCMSA-N 618.269 5.468 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101303421 BFPWULUAVODVGD-MTDXEUNCSA-N 561.041 6.550 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 101337065 KOGPDVKUZCPBNJ-HLHNIQGOSA-N 554.622 5.629 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCCC(C)C 101368478 OLHZKUBZGBPFGI-QHCPKHFHSA-N 604.528 6.018 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1Cl 101392826 BVGCYXTUFOBKLT-RUZDIDTESA-N 555.414 6.237 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cc(Br)ccc3OC)c(C)c2c1 101393628 IGMYKCNNCHGLRH-AREMUKBSSA-N 559.416 6.512 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101396146 AHVDSGMSZVTWOM-HHHXNRCGSA-N 528.992 6.929 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1Cl 101397112 YZQXQDORQLMOEN-SANMLTNESA-N 553.442 7.008 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccccc12 101397879 CGLOWVVJAKFEIY-SSEXGKCCSA-N 546.554 6.897 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2-c2ccccc2)cc1 101711126 UCIKVMXUHZLZTH-SWKFRHMKSA-N 551.646 7.842 50 10 KKGE O=C(NCc1ccc(F)cc1)c1cc(NC(=O)[C@@H](Cl)c2ccccc2)ccc1N1CCC(Cc2ccccc2)CC1 103139198 PMINZKPZTRXMHB-YTTGMZPUSA-N 570.108 7.133 50 10 KKGE CCOC(=O)C1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 103165592 DSWHXQHNIWPNKA-XMMPIXPASA-N 576.159 5.026 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 103742089 URDLUQJZRJBVKR-GUNDDFSMSA-N 532.463 5.500 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 103878986 DLKHAMOVZZNEEN-KPGMTVGESA-N 621.329 7.708 50 10 KKGE C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103879030 JWHPKTXKPDWYBN-UZWMFBFFSA-N 558.476 6.943 50 10 KKGE CNC(=O)N1C[C@@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1 139464818 BREAVWOTKQHAAN-RNAHPLFWSA-N 522.654 7.049 50 10 KKGE Cc1ccc(N2C(=O)/C(=C\NNc3cccc(C(=O)NN/C=C4/C(=O)N(c5ccc(C)c(C)c5)C(=O)c5ccccc54)c3)c3ccccc3C2=O)cc1C 150600829 AZNLZLZAFQEWJA-YEITWXIVSA-N 716.798 6.527 50 10 KKGE FC(F)(F)C(O[Si](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F 196123406 BBAPGYPPYPFUOP-UHFFFAOYSA-N 696.198 7.461 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205650404 UQNUUVCJFJOPEA-JBXJFQBWSA-N 552.671 7.009 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)cc1 205781324 SPOJRWHLUJQIJF-LVWIFPILSA-N 690.822 6.198 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214312204 IBELUPXSZHNHEN-YUMHPJSZSA-N 531.641 5.839 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214322303 SQPWKKFELLSDGT-OZVJIIIZSA-N 536.632 5.408 50 10 KKGE CCOc1ccc(C)cc1[C@H](Br)c1cc(I)ccc1Br 233781911 VWMBYEHHLRQOGU-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OC 254415114 QMIFQHMPOICHCA-UHFFFAOYSA-N 543.693 5.882 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 254458631 UMTWTMQWIJMCIR-UHFFFAOYSA-N 589.605 6.650 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)c5cccnc5)CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1cccnc1 504217404 DKNFYEFBCLXZNI-HAFJNNSKSA-N 512.654 5.751 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616682521 CHWVCLLYOPFVOP-AREMUKBSSA-N 512.887 8.203 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 725388861 NBYGNTXLFFXZFL-GVQINVNESA-N 560.119 6.727 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl 1083895557 XJAKEDKBRZTKRA-MHWRWJLKSA-N 628.091 7.485 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 1083914296 WBVSIKSXVDJANV-UHFFFAOYSA-N 516.601 6.322 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1083986797 PXVNXIPWAABFCJ-UHFFFAOYSA-N 638.993 8.940 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084015405 PCTPEMPYQYZYAW-UHFFFAOYSA-N 701.096 6.747 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C 1084279253 INENYISTDCRMKS-UHFFFAOYSA-N 580.979 8.183 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3cc4ccccc4o3)c2-c2ccccc2)cc1 1084561685 QQDQXFJTDYYUOX-UHFFFAOYSA-N 553.618 7.498 50 10 KKGE C/C(=N\NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615527113 ZXDUBFFUOGWFSM-IYUNHONGSA-N 655.796 5.706 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1775963583 WAXZORJPNLBJCF-MOJARNSWSA-N 516.927 9.389 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)ccc1O 1865681789 WYLJIXWZZWYJLR-VWLOTQADSA-N 546.986 5.722 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685978 PQFBFGRPNVSIEV-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865691640 XEBWAMLWUNGKQI-NRFANRHFSA-N 517.468 5.804 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865694476 WCVLNPLGUQGJHA-GOSISDBHSA-N 509.315 6.205 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695497 DKFNXKAOVJINBH-HSZRJFAPSA-N 529.394 5.293 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865696026 WLYARLKPKJTQDW-HKBQPEDESA-N 556.666 7.488 50 10 KKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705312 RSIZTXRUDXZSAM-JOCHJYFZSA-N 527.408 5.608 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 1865705604 ZXKHGERNAAQGNX-GDLZYMKVSA-N 572.596 6.183 50 10 KKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1I 1866130868 QOQDOHAPAOEZPI-IZZDOVSWSA-N 531.973 5.362 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866681818 RYZFRAFTONVKFT-VSGBNLITSA-N 524.621 5.486 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 1868544954 PGUKNRWYRBIRJI-HHHXNRCGSA-N 573.688 9.118 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1c(Cl)cccc1Cl 1872784282 IIJYYLXQNVLQGC-LDADJPATSA-N 523.441 7.777 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 1872791286 CEHVRVMRVYPBSW-UDWIEESQSA-N 507.442 8.077 50 10 KKGE CCC[C@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1878020850 OOGHWIJQKFDLIB-FXPVBKGRSA-N 537.981 8.078 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914230538 WSRUBXYGHOFJDS-GFCCVEGCSA-N 537.033 5.480 50 10 KKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915287821 CLNGEVYTFJYUAD-SFHVURJKSA-N 520.636 5.960 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2c(s1)CCCCC2 1923074281 JOHOYZSHMCWYGD-LLVKDONJSA-N 519.549 7.741 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1Br 1924041996 YGAWXBAOHZCDTG-RMLUDKJBSA-N 512.865 6.609 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)oc1Br 1924568350 FKQMQYRNQKXNBR-ZETCQYMHSA-N 528.285 7.028 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1Cl 1924589432 BWJWGTBOJODCQZ-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924589986 GKVDDSHTIVHHFW-MRVPVSSYSA-N 521.869 6.967 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1991471318 NYSQKNZXRPSGHK-DENWMYQTSA-N 513.476 5.572 50 10 KKGE COc1sc([C@H](Cl)c2cc(Br)ccc2I)cc1Br 2034628498 FXTHEMNORRCUOY-LLVKDONJSA-N 522.427 6.215 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 2036573611 YEVVVQAHCLOKFF-JTQLQIEISA-N 542.287 7.312 50 10 KKGE COc1cc(C)c([C@H](Br)c2csc(I)c2)cc1Br 2078003416 MDEZODHPFQNECV-CYBMUJFWSA-N 502.009 5.917 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2083317359 FQSXAWKDQHYVEH-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Clc1cnccc1C[C@@H](Br)c1ccc(Br)cc1I 2086149241 LOLQSUMTHQJIJB-LLVKDONJSA-N 501.387 5.781 50 10 KKGE Cn1c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cnc1Cl 2141469956 XZKDWYXMRDXRIZ-SNVBAGLBSA-N 601.156 6.608 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2CCCCC2)c1Br 2141470666 JFVPKDTWDCUFKQ-SECBINFHSA-N 582.794 8.143 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2142287618 FBANKYDBWGUKQX-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc2c(cc1Br)OCC2 2169660151 ABVPFEFAJWANRE-OAHLLOKOSA-N 511.954 5.612 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]1C1CCCCCC1 2199993260 ZIYNORXLGVJXDV-HOSYDEDBSA-N 505.541 7.969 50 10 KKGE CCc1nc([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2201063807 GEQAIZIROYMWQY-LBPRGKRZSA-N 502.497 6.938 50 10 KKGE CC1(C)CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398129 RFIJALQLXSRKMW-CLAHSXSESA-N 552.370 8.233 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1Cc2ccccc21 2206404799 YLNYKUSHKYUOAC-BJOHPYRUSA-N 544.306 7.356 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(I)c1 2207276031 RSDYCFUNMICVEA-CQSZACIVSA-N 619.860 6.078 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2218967507 DWGKVPCPDHBVLE-LBPRGKRZSA-N 521.869 6.967 50 10 KKGE COc1ccc([C@@H](Br)c2sc(C)c(Br)c2C)cc1I 2269543675 KMHVRZJEZVZTMZ-CYBMUJFWSA-N 516.036 6.225 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(Br)c1Cl 2283562372 ORLDAMPABVGGTI-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2285673900 DYSXHNGOANLKPE-BAJZRUMYSA-N 604.747 7.854 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 2294175248 LBJUPSMIWPSTJL-UHFFFAOYSA-N 634.255 6.583 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2295265813 VUYPMOBUEGOBAA-GFCCVEGCSA-N 548.294 7.120 50 10 KKGE CC1CCN(C(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 2296507173 WUVWXBHZCXYDQG-OAQYLSRUSA-N 500.451 5.678 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2297458647 PHSDKRNJRVLTAM-DEOSSOPVSA-N 601.353 6.541 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1sccc1I 2300647616 YVGBZWVYLKTYNV-LLVKDONJSA-N 506.066 6.614 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313567847 MGJWGHLGJWKZJM-UHFFFAOYSA-N 553.325 5.921 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(C)c1 2313567880 OPSZCNSUUMZADU-UHFFFAOYSA-N 560.492 5.991 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314617379 XCOXOSMYUQGDDR-UHFFFAOYSA-N 625.128 7.607 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314618903 WKMQVBMXQAHAQV-HXUWFJFHSA-N 530.584 5.557 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C(C)=C(C#N)C2=O)cc1 2314619629 CNTJBHUOFBZKBT-UHFFFAOYSA-N 564.645 6.536 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314620040 JRRXXNPZHSHMAW-UHFFFAOYSA-N 502.549 5.779 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314620399 PFPBNDNLHDEMOM-UHFFFAOYSA-N 567.418 6.233 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 2314640662 IWXLAELNCRWZAC-JGCGQSQUSA-N 530.580 6.111 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 2314737020 HIXFVXDFSGLTFC-UHFFFAOYSA-N 549.421 5.282 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(Cl)cc1I 2316658151 GEHWVRRYYTZODD-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 2331318383 GFZCXDZMPRURLV-UHFFFAOYSA-N 503.580 5.181 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCCC[C@H]23)c1Br 2333521115 VABSUENKWMRHQR-OICUOVSFSA-N 537.937 6.677 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Cl)cc2I)c1Br 2365597778 KHBUCSMOMOKOOH-SECBINFHSA-N 560.398 7.272 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1888934 MADWGEWHSLLJNX-VECHRTTRSA-N 506.002 5.264 50 10 KKGE N#C/C(=C/n1cc(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1nn(-c2ccccc2)c(N)c1C#N 33370952 RWEVKHXGFHTZOW-JZJYNLBNSA-N 509.400 6.700 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38656041 IMKPPUBROOGTKE-SANMLTNESA-N 509.389 6.319 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 38660403 SFXKNKCAMJSMCN-HHHXNRCGSA-N 518.997 6.211 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822782 MLWXYKQGDZJEPG-YQCHCMBFSA-N 515.569 6.493 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823217 ZBLVRUPLYQKGBQ-RDBJDIMPSA-N 519.417 5.169 50 10 KKGE Cl[C@H]1C[C@@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCCC2 97646533 OFEFWHWCLQQOTE-UONOGXRCSA-N 501.484 7.073 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)c(C)c2)cc1Br 100173161 UQYQGKJWLVMOJI-UHFFFAOYSA-N 556.910 5.085 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 100173356 JLEFBNFBHQFPLC-UHFFFAOYSA-N 571.335 5.428 50 10 KKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCCc2ccccc2)c(Br)c1 100212020 ULGBVAGMOGHBPR-UHFFFAOYSA-N 529.843 6.014 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(I)cc1 100236646 LIPFAQFISHDGBX-XTYFKDDUSA-N 598.481 5.961 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 101036769 SDRUDPSDFOESCC-VWLOTQADSA-N 570.621 8.347 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242337 WBXJHZKWUOOJPN-JSIHEXFSSA-N 527.524 5.050 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245192 LRNGCZIQCRCSLI-NNHPPCHPSA-N 518.038 6.112 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245402 XTMAFSXVLBAHPC-UZEPBSNMSA-N 502.039 6.276 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 101336160 ITAWTSNEQQEAFK-MTDXEUNCSA-N 538.648 5.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101339747 YVEZFQGMLDDDPU-OKCVXOCRSA-N 600.675 6.404 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1 101367259 BWGPNYFABGEZSD-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101372244 PKXIGYGDBANSSG-JGCGQSQUSA-N 570.686 7.126 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380687 YYBDNPFNKNKUBQ-RFYICLFZSA-N 552.989 6.895 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387339 SRGHTQZDIQRAOH-PPGPUPIYSA-N 594.639 6.567 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390493 RKJJXPWQYHLIDJ-OAQYLSRUSA-N 557.842 7.307 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101394827 RKDFHXUTJJMSKG-WJOKGBTCSA-N 601.099 8.108 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1 101717206 GLFMNVMSALEGGP-ODLFYWEKSA-N 588.829 6.477 50 10 KKGE Cc1ccccc1N1C(=O)[C@@H](Cc2c(Cl)cccc2Cl)S/C1=C(\C#N)C(=O)Nc1ccccc1 103627401 WDIVLBRZDYIKGQ-HWBIBUKPSA-N 508.430 6.367 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741873 WUVGIJZBPWGONJ-ABPPERTMSA-N 601.353 6.541 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104996599 NSQAWUVFLZVHFI-WSVZGAEUSA-N 526.431 5.277 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCC(=O)Nc1ccccc1OC 112171811 RZNSMWHUOAQABJ-UCQKPKSFSA-N 600.469 6.573 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(I)cc2)c2ccccc12 127473434 GQVRVXCXSYPDEO-KRWDZBQOSA-N 501.987 6.691 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 150411054 SGNGQIWQHVJIPF-YGUAJQJCSA-N 714.775 6.183 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150461626 VAIWWADJAFUOHD-XTYFKDDUSA-N 648.741 5.172 50 10 KKGE Cc1cc(SCC(=O)N/N=C2/CCC/C(=N/NC(=O)CSc3cc(C)c(Br)cc3C)C2)c(C)cc1Br 150649307 QMXMKBUABVSXMH-NAZWXXJZSA-N 654.494 6.848 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 156132352 JQYOMULNIXJVTC-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2)cc1Br 164601730 FWACLWAIHBCFMX-RUMWWMSVSA-N 651.539 6.224 50 10 KKGE COC(=O)C[C@@H](CC(=O)/C=C\c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C 201129037 MQGVAZIDAZIVGR-DHOHLHFPSA-N 607.821 5.728 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-] 214718579 TUUHVVPLIGLLEQ-XKKJXBDVSA-N 686.304 13.559 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(I)ccc1Br 233784425 URTKFEPLMGGOPB-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)sc2Br)sc1Br 236071190 SCNNUQXWPRLBAA-SSDOTTSWSA-N 530.326 7.235 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 254313424 SGYOHBNXGOZOAE-UHFFFAOYSA-N 662.960 9.009 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254518952 RRXVUQMGOVOFHH-UHFFFAOYSA-N 531.657 6.012 50 10 KKGE C/C(C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)=C/c1ccc(/C=C(\C)C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 254908797 UPRMNWRERHRDHA-XYSCZMQMSA-N 735.026 10.283 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2Br)ccc1OCc1ccccc1Cl 256017332 GIGLKZUIADZDKL-KRWDZBQOSA-N 531.834 5.916 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146241 CYABQVXMGTVARC-RRUHBBGGSA-N 845.308 9.000 50 10 KKGE Br[C@H](c1ccccc1OCc1ccccc1)c1cc(I)cc2c1OCC2 312122961 WUQKFZBFWNFCNS-OAQYLSRUSA-N 521.192 6.289 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@](C)=O 504642261 MEIKKMCUTRNHMT-OWXSEPQOSA-N 679.405 5.437 50 10 KKGE C[C@H]([C]1C=CC=C1c1ccccc1P(c1ccccc1)c1ccccc1)P([C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 604982872 CGFLFABMIGBJIL-CRBNDANQSA-N 573.721 9.220 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 616680150 KQIVDMATELTUMJ-SANMLTNESA-N 508.760 6.613 50 10 KKGE C/C(=C\C[C@H](O)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 725407265 IDHLZOWJDYQQSB-BAKIOAQASA-N 738.237 10.845 50 10 KKGE in-vitro C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 1083847811 IQTOMHOZDAGFAU-UHFFFAOYSA-N 613.714 7.652 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1083896361 VNNBELWNTDPNNE-UHFFFAOYSA-N 506.773 5.323 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1083948507 PNTCOHFFUSHWJF-UHFFFAOYSA-N 530.665 7.247 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 1083956052 PUQLWNOTHZIONI-UHFFFAOYSA-N 548.599 5.367 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083999727 OUYXCXPGWCMOSQ-UHFFFAOYSA-N 552.303 6.331 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)o1 1084022125 XRJKYMIIGZIHRL-UHFFFAOYSA-N 505.933 5.976 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084041482 JACLCBYUUSHVIO-XMMPIXPASA-N 531.436 5.944 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)cc1 1084092474 XXBSXNUYYHAHGV-RQZCQDPDSA-N 506.216 7.733 50 10 KKGE C#CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084217015 KQJFBFFRYGOHEI-UHFFFAOYSA-N 649.020 5.180 50 10 KKGE CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084291067 PRUQINJAOWWMTL-UHFFFAOYSA-N 675.308 6.825 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084308547 PQNCQFVNYSLWKH-UHFFFAOYSA-N 583.483 5.341 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084339165 ZXLKYAOXWRIJAN-UHFFFAOYSA-N 664.836 9.053 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1084343845 YNVIHOBIXWRHOL-HHHXNRCGSA-N 537.056 6.019 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 1084350359 RARMGALZUFLUJV-DEOSSOPVSA-N 671.757 6.649 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684438 YILPZTGPJPZFJB-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865691753 AEOJZHVUPMFETD-SANMLTNESA-N 579.539 6.669 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865693460 VWQIQVBFVWLYBM-HSZRJFAPSA-N 555.448 5.801 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694470 YJGYBBSRSLYKOS-MHZLTWQESA-N 511.025 6.253 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865695519 PFJNYFQIDNTMFM-RUZDIDTESA-N 512.997 5.877 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OC 1865695700 RNGYYGKYRBXKTG-AREMUKBSSA-N 526.568 5.372 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OC(C)C 1865696594 IGGPFUYBAFPMMD-RUZDIDTESA-N 512.997 6.207 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697580 XEDQLUCGQZUIPH-HHHXNRCGSA-N 540.595 5.760 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700958 IGAZZQJIGQATJQ-AREMUKBSSA-N 547.442 6.547 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701437 VPMNOHSYUCHLOP-VWLOTQADSA-N 551.861 7.192 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865702240 QHKFJCSAGURTDV-HHHXNRCGSA-N 523.612 5.810 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865706185 PMWXIOBVLBSHRF-SSEXGKCCSA-N 570.649 6.662 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865709270 SOPDFISOAZITAB-MUUNZHRXSA-N 564.086 5.147 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866657451 ACHQWHYRVXDNMK-VWLOTQADSA-N 500.555 5.401 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867097518 COVNLWRGZSHVOL-AJTFRIOCSA-N 521.633 6.424 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749107 BJSCGZBPUZZRKF-ANFIVWSKSA-N 505.426 8.202 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)\c2ccccc2)cc1 1872751394 GCCRLNIALNRQNO-MOEACLASSA-N 500.570 7.909 50 10 KKGE N#C/C(=C(/O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753868 QVGKHGGGUXNUKD-IKPAITLHSA-N 500.579 7.783 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 1872757956 DSYPVHJIUKCMEN-MQPOEVEDSA-N 503.580 5.068 50 10 KKGE CN(C[C@H]1C[C@@H](Br)C1)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887892297 FJKOPEPHGTYFNQ-DMDYGQEQSA-N 509.488 5.950 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915288951 OLXNZVMUSSTKJN-CQSZACIVSA-N 524.116 6.335 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1scc(Br)c1Br 1939456953 VWAZNXPCFSTVFI-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)cccc2Br)c(Br)s1 1945321520 HGGMXHNGQVGMSJ-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(I)sn1 1983286372 PFTPVOGFTOEJPC-YFKPBYRVSA-N 578.314 6.472 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2csnc2Br)c1Br 2024294889 NYAFAGFKPBXFRT-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Cl)CCC1 2025779464 HQLGXTWEGBIGIC-SNVBAGLBSA-N 530.707 7.178 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2082389549 KNUSANMZCHLGLH-IBGZPJMESA-N 502.655 7.236 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(I)sn1 2083445162 JKZUEROMTUAZRW-NSHDSACASA-N 502.997 5.312 50 10 KKGE C[C@@H]1CO[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085492794 RQCOEROYPQCQMD-WNBSSGNCSA-N 526.288 6.442 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC23CCC3)c1Br 2085499391 HQOGNMYKHHSGFN-LHLIQPBNSA-N 566.751 7.363 50 10 KKGE O=S1(=O)CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500141 XIEULPLECOBIPZ-MRVPVSSYSA-N 590.751 5.217 50 10 KKGE C[C@@H](Br)CCc1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2132755973 JYLRTJRVNAOLHD-SSDOTTSWSA-N 516.857 5.271 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2cccc(Br)c2)c1Br 2138852770 OPWWWAAZUVIONM-CQSZACIVSA-N 511.877 6.961 50 10 KKGE CC(C)(C1CCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469010 QENNVHVRYDEFHT-ZDUSSCGKSA-N 582.794 7.999 50 10 KKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471737 VMLPXWUXKBCTDZ-OUAIYISWSA-N 584.766 6.988 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472760 HWCQTWPYFHHOHB-JTQLQIEISA-N 661.671 8.353 50 10 KKGE CCC1CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473393 OJMADQRJAONRLU-OIAXGBPSSA-N 538.343 7.843 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1c(Br)c(Br)cc(Br)c1Br 2141477100 LIIZNOYSJGDFBD-SNVBAGLBSA-N 682.089 8.651 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1CC2(C1)CC1(CCC1)C2 2157156295 LNNAKARUQQWORC-SNVBAGLBSA-N 503.525 7.723 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(F)ccc2Br)c1Br 2201071859 SHQZSMCDXVYAQT-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Cl 2201614508 HZIMCGBJQNLUMX-LLVKDONJSA-N 556.797 7.076 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)c(C)c1Br 2227361679 GCKJLGZFUDDEPB-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509361 CNQXIALVVQXLTQ-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE CCc1cc([C@H](Br)c2cc(Br)cc(Br)c2)sc1Br 2255989121 QCBMGUBASLQCMF-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Cc1sc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2263445127 ACECUGQXFPLHAY-GFCCVEGCSA-N 517.906 7.023 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc(I)cc2c1OCC2 2264606599 CDWFZGGNLXVUEE-JTQLQIEISA-N 534.438 6.188 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Cl)c(Br)c1Cl 2283563875 UVOSQFGLEAOELZ-LLVKDONJSA-N 503.843 7.011 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1Br 2285946043 OJCZKNPVPVKZGE-CYBMUJFWSA-N 503.456 7.427 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2297456593 HIIPWKKXWLEPJG-UHFFFAOYSA-N 514.821 7.500 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1OCc1cccc2ccccc12 2297551502 OKGRYQACSXMLJQ-UHFFFAOYSA-N 547.489 6.900 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1 2313521368 JHRWMTGBJQYFFQ-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 2314414799 MRQFUPVVUAOLSD-UHFFFAOYSA-N 552.055 7.110 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(OCC)cc3)C2=O)cc1 2314591955 IMHQRLGIDPMYEA-LJAQVGFWSA-N 539.701 6.801 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 2314616664 GRWYISOROZUOLA-UHFFFAOYSA-N 506.606 5.781 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634376 JTLYOJWVOJDKFS-NDEPHWFRSA-N 516.981 5.974 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)c(Br)c1 2331259888 NTILAXLJDNOZOH-UHFFFAOYSA-N 513.457 7.104 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(Br)c1O 2331414079 DKVDJANBENOLJG-UHFFFAOYSA-N 503.421 7.408 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(=O)c1ccccc1 2331432120 RIIBONZPBACWIQ-UHFFFAOYSA-N 517.404 6.865 50 10 KKGE Brc1cc(Br)cc(CO[C@H]2CCCCCC[C@H]2I)c1 2337096907 JBXRMHPQXHZDOJ-CABCVRRESA-N 502.028 6.255 50 10 KKGE CCC[C@@H]1CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349809463 SYDGXFUSAWSESN-MRVWCRGKSA-N 500.056 6.576 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2OCc1cc(I)ccc1Br 2367601677 LSCOGTBFKPOFLB-HMTTWLPMSA-N 514.039 5.913 50 10 KKGE Fc1cccc([C@@H](CI)OCc2ccc(I)c(Br)c2)c1 2377620617 BCYNDPYRWOXOLD-OAHLLOKOSA-N 560.970 5.886 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650947 DUPKAUKDBIBFKL-MUUNZHRXSA-N 519.513 5.611 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)oc2ccc(F)cc12 38688334 UBBDXRDGFZLKLS-HSZRJFAPSA-N 509.320 6.625 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1 59304865 QGUFWMJRMOAJGH-KKMKTNMSSA-N 501.739 6.331 50 10 KKGE CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 100217733 DRIYRNYSBPNDOQ-VBKFSLOCSA-N 522.380 5.832 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 100235315 IOCQWUXCZBOFEZ-PEHSQKLVSA-N 536.426 5.262 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241005 ABDWNFULXMYUJB-VBGHIBASSA-N 550.511 6.859 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(Cl)c1 101363123 YXZGRTUNICSSFV-QGZVFWFLSA-N 605.088 7.810 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101367773 GSJWPYSRCLKDGX-WJOKGBTCSA-N 556.659 6.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101368378 PPJWQKCMHAMSLS-PMERELPUSA-N 563.050 6.285 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379615 NGPGJAJSUWGWTC-HKBQPEDESA-N 569.013 6.130 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380355 VLJVVFPELSWJNJ-HKBQPEDESA-N 550.586 6.629 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC 102416213 ABFIIKNNPIJEQR-CYVLTUHYSA-N 600.052 6.803 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 103741927 AMPKMCWIQPESNG-NJEMLTPYSA-N 546.490 5.543 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 150386825 HZNVRRINEJXEPH-UHFFFAOYSA-N 732.882 6.569 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150429025 HSBUWCRHQPMKPO-UUWRZZSWSA-N 635.116 8.427 50 10 KKGE O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(NC(=O)Oc6ccc([N+](=O)[O-])cc6)cc5C4=O)cc3)cc1)C2=O)Oc1ccc([N+](=O)[O-])cc1 164262938 PXRIADDSTMTIDB-UHFFFAOYSA-N 820.683 8.118 50 10 KKGE O=C(NCCc1ccc(Cl)cc1)c1ccccc1SSc1ccccc1C(=O)NCCc1ccc(Cl)cc1 196120773 NWOHNNXTLGTLRE-UHFFFAOYSA-N 581.590 7.738 50 10 KKGE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[Si](C)(C)C(C)(C)C 198071078 NHCAHEFPDDXPRN-SJVCMWPYSA-N 526.922 9.785 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2C)c(OC)c1 206692191 NROJBOVQRSMJJL-NRINLWNTSA-N 592.648 6.417 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 214234139 ULTLMYVUCDFFBY-DICXZTSXSA-N 508.666 6.123 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2ccccc2CN[C@@H]2CCCC[C@H]2NCc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)cc1 225711577 JXYDDLYRBBLEEG-AWSIMMLFSA-N 718.906 8.627 50 10 KKGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)cc(Br)c1O)=C\c1ccccc1 252620818 MMPCNKKUDUBXJX-HFHQBJOMSA-N 583.280 5.785 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3OC)nnc2-c2ccccc2)cc1 254288180 CVQJHMSGQOIIKN-NRHAWSCWSA-N 513.623 5.249 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254721645 SEEYKNPQCSZUDJ-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE O=C(OC[C@@H]1O[C@H](Cl)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 503926480 XVLSIQHWHHLLPV-AFXVXQJMSA-N 584.235 6.219 50 10 KKGE Brc1csc([C@H](Br)c2csc3c(Br)cccc23)c1Br 705447746 LZBBCNDJKNYFCI-SNVBAGLBSA-N 545.941 7.735 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1Br 721614518 PHKXYSNVYSVQQH-LLVKDONJSA-N 566.803 6.579 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c(C)c1 725390921 NCQZAYYLDAMMBV-GOSISDBHSA-N 518.908 6.758 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1Br 725414107 VRBCTBRFOXAUPI-UHFFFAOYSA-N 637.600 6.136 50 10 KKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1I 725434422 HTSVXDUUWPPBAT-ZROIWOOFSA-N 556.141 5.006 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 1082442196 SOPUVCDECLALCY-WDZFZDKYSA-N 502.292 5.703 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1083919454 TUVCEJPPYAMYCW-UHFFFAOYSA-N 587.764 8.476 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1084050487 ROTSITRHUNKZEJ-UHFFFAOYSA-N 604.548 8.287 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(OC)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084128446 JSBPFVQOWYFUSJ-UHFFFAOYSA-N 503.433 5.577 50 10 KKGE Cc1cc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)ccc1Br 1084349133 JBOOPSZDUYSZDP-UHFFFAOYSA-N 565.515 7.695 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084431994 CZZNMRGPUOMVLE-UHFFFAOYSA-N 677.426 9.264 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084450927 BDXCMPLFPAVZAG-UHFFFAOYSA-N 572.422 5.802 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084499283 ZHCGCPKLRAEKPA-UHFFFAOYSA-N 619.065 6.121 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 1084517858 VHMKMTFLQDBRLH-UHFFFAOYSA-N 664.911 5.628 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084551581 UJJUENMPSLMEHT-UHFFFAOYSA-N 671.617 7.025 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2ccc(Cl)cc2C)cc1 1084601409 PSCLDIBWJCCMNG-UHFFFAOYSA-N 508.402 5.095 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653217 VWCAHIHIPGBMQK-SKUBCJEJSA-N 560.517 6.315 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743971 MXRYUMGLXJLDMG-OAHLLOKOSA-N 538.417 5.942 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744181 RNGJMDMMNLYXPH-UHFFFAOYSA-N 502.310 5.493 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772753691 CDRKHPSRGHRFNC-UHFFFAOYSA-N 521.828 6.380 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccccc1Cl 1772754565 KOKGRDYJISSDCL-UHFFFAOYSA-N 579.878 6.886 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686213 SDKLCNQLOBKGAH-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688296 OPLIXCQHPCLKIB-MUUNZHRXSA-N 514.585 5.987 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865690112 IXTYEYLVIIRVLW-AREMUKBSSA-N 511.025 6.649 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OCC 1865691270 ODUUMIICLNQYOD-HHHXNRCGSA-N 500.643 6.070 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865693661 XSQYJBKZGKGWJB-HSZRJFAPSA-N 523.431 5.739 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695359 BVMJHCNDYWAWRU-QHCPKHFHSA-N 577.410 5.441 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865695829 HRQFWPKHYNSGLB-QFIPXVFZSA-N 512.532 5.995 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865695840 IAFDNJWWIPWISN-GDLZYMKVSA-N 534.660 6.784 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Br)c1OC(C)C 1865697439 SLSMCBKZVURHJY-VWLOTQADSA-N 545.437 6.110 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cc(Br)ccc1F 1865702706 ZYDLHJQHYSLAQR-INIZCTEOSA-N 511.248 5.209 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865706184 PMWXIOBVLBSHRF-PMERELPUSA-N 570.649 6.662 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710728 GKZIRHDPLCQOIQ-JOCHJYFZSA-N 557.359 7.092 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1872756789 AWSUQOWKBQAVKW-SDXDJHTJSA-N 508.768 6.335 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(OC)cc1Cl 1872793829 VNMMXRHEFOURNF-YBFXNURJSA-N 523.441 7.777 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OC(=O)c1ccccc1 1872794334 VWXHXXWURFLCLX-HZHRSRAPSA-N 508.643 7.708 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873940757 GDKAFMYGGJXVQU-ATJXCDBQSA-N 508.515 5.474 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1csc(Br)c1Br 1902796072 IASKTFSHYSEHDH-GFCCVEGCSA-N 526.088 5.373 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1sc(Br)cc1Br 1922947045 YFIPLRMKQXVHJO-JTQLQIEISA-N 524.297 7.126 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1Cl 1924589414 BQGNAYUHYGVIBW-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc(I)c1 1925572148 YJXBBXSESHKQJP-QMMMGPOBSA-N 526.846 6.906 50 10 KKGE CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@]3(O)O[C@@]45OO[C@@H]4C[C@@]4(C)[C@@H](CC[C@@]2(C)[C@@H]34)[C@@H]5C)/C1=C(/CCC=C(C)C)C(=O)O 1933246805 VPEQUHJEAVHCJW-GCDSPLBQSA-N 544.685 5.300 50 10 KKGE CCC[C@H](CCC[C@H](O[Si](C)(C)C)[C@H](CCCCC=C[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C)O[Si](C)(C)C 1933278079 JYEGXNRWPXAYNW-DWZFQDHRSA-N 750.448 10.310 50 10 KKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(CCCC[C@H]2CCSS2)(C(=O)O)CC1 1952011528 NNIXLCSBGJGZMS-FQEVSTJZSA-N 511.709 6.816 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)n1 2005276923 BDJHZYNLOYLYNX-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3S2)nc2sc3c(c2c1=O)CCC3 2042440845 PVSCXXSZXCFTLP-UHFFFAOYSA-N 528.684 5.859 50 10 KKGE FC(F)(F)c1cccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c1 2079250120 AKKSXLREPPUQLI-UHFFFAOYSA-N 513.017 5.469 50 10 KKGE CCOC(=O)C12CCC(CI)(CC1)O[C@@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2080420400 NIEVRUZXKYVXFH-ODIFPOPNSA-N 536.250 6.093 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1ccc(Br)cc1Br 2083333350 GJSMWRYYMDGXOG-GFCCVEGCSA-N 501.813 6.598 50 10 KKGE Brc1cc([C@@H](Br)c2cc3sccc3s2)ccc1I 2084764773 MYMKBBLGPMBURQ-CYBMUJFWSA-N 514.045 6.814 50 10 KKGE Brc1ccc([C@H](Br)CCc2cc(Br)ccc2Br)cc1 2118533272 XZEBLCZUWKTEIV-CQSZACIVSA-N 511.877 7.043 50 10 KKGE Cc1nc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136376704 IJXZQISIPBOSTL-NSHDSACASA-N 532.921 6.840 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(I)cc2)c1Br 2136378220 BQZNAOZQXIQALJ-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Cl 2136695163 PZPVQVCEBLSRFF-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1I 2137070487 KASCXJXYQMKKPZ-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3CO2)c1Br 2141472369 CQHNZDGZGJBUJI-BDEXQROLSA-N 582.750 6.598 50 10 KKGE Clc1cc(CC[C@H](Br)c2ccccc2Br)ccc1I 2142941016 RYZHNNXKBFVXSB-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)cc1Cl 2203687681 XUBRXCFYUXHYAW-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE FC(F)(F)COCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399403 GYXOXAMOXVOCPN-RXMQYKEDSA-N 612.698 7.142 50 10 KKGE COc1ccccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406050 USDFLWIHICMHEW-CQSZACIVSA-N 548.294 7.073 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)s1 2217975899 BQMIDMASDYAISQ-SFHVURJKSA-N 502.293 7.172 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 2225615685 KMVVALPTWXTIKE-CYBMUJFWSA-N 627.709 7.202 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2225617541 PIECCRNPQHVGLQ-ZDUSSCGKSA-N 627.709 7.202 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2229319866 LXBHIWIXIIEJDH-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 2232091216 DEPDHFJSVCMNTF-SECBINFHSA-N 509.872 7.026 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 2235610121 DJDFPFHWPCHIIC-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240431344 ICZBXTFKWMNMML-VFZGTOFNSA-N 528.047 6.103 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Cl)c2Br)c1Br 2256136344 JVMGMRQSXUSGJU-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)c(C)c1Br 2282889495 VGWXTIBVAVWBNG-HNNXBMFYSA-N 532.416 6.900 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)c(F)cc2Cl)c1Br 2285949598 UMWKDLVLZKMSHJ-AWEZNQCLSA-N 550.285 7.559 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccccc1I 2295359935 KVTSZGVYYHTPMN-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 2296545346 JCJDJFGFPSSNLX-UHFFFAOYSA-N 526.401 5.749 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313521321 GKHOOTOWMDAVHJ-UHFFFAOYSA-N 584.668 8.293 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313730240 JFRCDZNQJTZABW-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC[C@H]1CCCO1 2314478438 LORKSTUVJCALCV-GDLZYMKVSA-N 522.580 5.460 50 10 KKGE CCOc1cc(C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314610387 HKEMIECKILNYNQ-UHFFFAOYSA-N 513.421 6.219 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314621111 YZHZCKVHJXXDHU-UHFFFAOYSA-N 565.428 6.903 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5Cl)ccc43)cc2)cc1 2314640612 DBLHZOZKIBEQBB-JGCGQSQUSA-N 583.471 7.718 50 10 KKGE BrC[C@H](Cc1ccccc1Br)Cc1sccc1I 2316737242 VMXYVCZEOOBPBV-SNVBAGLBSA-N 500.037 5.912 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC)c(OCc2ccc(Cl)cc2)c1 2328795170 VPWRPPYWNVLLBR-SBUREZEXSA-N 504.027 5.317 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)c1 2331248864 WZODJEFROUBXJP-UHFFFAOYSA-N 505.821 6.886 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331255887 FWUNQSCDFSTCFR-UHFFFAOYSA-N 505.599 6.903 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc2)cc1 2331351569 GCCRLNIALNRQNO-UHFFFAOYSA-N 500.570 7.909 50 10 KKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c1O 2331467689 UTAGYEWTAYGEOF-UHFFFAOYSA-N 512.212 6.666 50 10 KKGE Fc1ccc(C(F)F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2363687493 VPORSYWBYNEDGL-QMMMGPOBSA-N 513.398 7.488 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)c(C)c1Cl 2365595571 LMXWQMAENLCTRS-HNNXBMFYSA-N 504.420 7.306 50 10 KKGE COc1ccc(Br)c(CBr)c1OCc1sc(Cl)cc1Br 2372267832 APHZWGOBNNVOJW-UHFFFAOYSA-N 505.453 6.409 50 10 KKGE Brc1cc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@@H]32)ccc1I 2377334430 JQBAHPYURBMBJU-IOASZLSFSA-N 513.055 5.582 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 935377 SOIORIDFEMAAPF-QBHDBVHESA-N 577.287 6.092 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 8456045 AJAQKWMFKZGIDZ-BJKOFHAPSA-N 562.686 7.052 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 8456046 AJAQKWMFKZGIDZ-ZEQRLZLVSA-N 562.686 7.052 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccccc1 35446004 ATLXZHGGAQGLCK-TURZUDJPSA-N 510.597 6.342 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c(OC)c1 38657068 CFQKQHLHVMOOOS-AREMUKBSSA-N 520.969 5.177 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660840 ATPBJFVKFRYTJQ-GDLZYMKVSA-N 504.542 6.315 50 10 KKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(Cl)cc1Cl 39852760 JRLRNERUTLXXSP-UHFFFAOYSA-N 501.801 5.974 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812190 XPQPKOHTYAGUOT-OVVQPSECSA-N 501.326 5.526 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(CC)cc2Br)cc1 40992609 VIIJSALQICWVQX-LTGZKZEYSA-N 513.432 5.599 50 10 KKGE COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 100848686 ICYWDEWKHOGWNI-JEBQAFNWSA-N 538.074 5.098 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 101286697 ZTANATDUGXYXRQ-OGLMXYFKSA-N 530.584 5.798 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101293373 XSABFLIWFOJFSI-PMERELPUSA-N 540.616 6.122 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101334980 FORNORDXQVMSDH-TWKHWXDSSA-N 558.707 7.224 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101338129 JFIQPMFLNUPUEL-ZTKZIYFRSA-N 591.111 7.207 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101339003 WZTQGBOZCCINRD-LRGHTXIMSA-N 623.779 5.885 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365372 BOYTYTBKJQXORK-MUUNZHRXSA-N 527.407 6.949 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1C 101379270 YCZMRCXVVWPBSM-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383152 QVMSOOQBYVWBSM-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388053 QRZNANFYUJJVQM-HKBQPEDESA-N 567.041 7.064 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101397788 ZQZWANHQKSTUOW-PMERELPUSA-N 619.476 7.938 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 101459709 ZCCSNSYOSRAWJG-HAHDFKILSA-N 593.536 7.364 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 105151686 XHVPGVPZRCNOSM-ZIQIHHEHSA-N 618.589 5.870 50 10 KKGE Brc1cccc(C[C@H](Br)c2cc(Br)sc2Br)c1 109869862 LXTBWDKJVTUSDL-JTQLQIEISA-N 503.879 6.714 50 10 KKGE CCOc1ccc([C@@H](Br)c2csc(I)c2)c(Br)c1 126696289 HABJHSUSMRUMEA-ZDUSSCGKSA-N 502.009 5.998 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411358 XKEMWXLKHVDTSF-MODQRLIRSA-N 639.531 5.218 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430550 GTFHZDZMFSKOPM-UMSFTDKQSA-N 635.116 8.427 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431543 FLYMZPBJTVPKII-KDBUODIZSA-N 631.487 7.947 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 150431858 JOYMBBXLZUVEBX-DXTDMJPYSA-N 671.359 6.938 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc2c1CCCC2 150485687 NGXGRUUJAFCOIH-WMTABHRUSA-N 669.800 6.870 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 150623151 VHUPOFGXDWSYEV-PDGQHHTCSA-N 621.241 7.038 50 10 KKGE Cl[C@@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155254507 NYXRIHUUSDBFND-OLZOCXBDSA-N 628.457 6.209 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 164638206 JTIHCOIMXLMFOH-JEPNHJGPSA-N 686.506 7.317 50 10 KKGE Clc1cc(Br)ccc1CC(CBr)(CBr)c1ccccc1Br 168969509 IELFVBLSVDLBPB-UHFFFAOYSA-N 560.349 7.135 50 10 KKGE C=CC(=O)OC[C@@H](Cc1ccccc1)[Si](C)(C)O[Si](C)(C)[C@@H](COC(=O)C=C)Cc1ccccc1 170025196 UEEGQAUULCLARS-CLJLJLNGSA-N 510.779 6.097 50 10 KKGE N[C@H](CSSC[C@H](N)C(=O)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1 199858702 BWUAPPCDSBVNTK-PIYFIQLCSA-N 742.970 10.365 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205661679 FSCFLNJDHVUBGE-IAYMEUQHSA-N 510.590 6.101 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214363207 LBKHCVWVNROCGA-MIXAMLLLSA-N 534.660 6.499 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 252611777 INPLUNUPIFVKPZ-ANBYXCMOSA-N 564.440 5.125 50 10 KKGE CCc1cccc(CC)c1-n1c(SCC(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)nnc1-c1ccc(OC)cc1 254833848 ZCVICXRSANFMIW-UHFFFAOYSA-N 671.918 7.485 50 10 KKGE Cc1cc(C)cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 256018939 BDUZTKVGWMDTEF-JEBQAFNWSA-N 508.092 5.928 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(I)cc1Br 312303948 VFBUFWNBIJOWJS-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)NCCCCCCN3)cc1 642813656 BUIIEHUBLBYWLX-UHFFFAOYSA-N 634.744 8.268 50 10 KKGE COCc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)s1 688079960 SKHMYXNFYYGBGD-GFCCVEGCSA-N 536.454 6.352 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)c1 721592323 GPZAKBPVZSCUTC-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE O=C(NCc1ccccc1)OC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238768 PQMDTVMDJLOGEZ-VWLOTQADSA-N 594.055 5.997 50 10 KKGE CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C 888085235 RSHARCJKDILKNP-ZWKVGKEBSA-N 691.243 13.427 50 10 KKGE CCO[C@@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(C/C=C(\C)C=O)OC2(C)C)OC(C)(C)C=C4 1078362841 IKFKEJSONUWRCD-YLZWYYJWSA-N 590.713 5.722 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1083980807 UNYBIISYMISHQJ-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE O=C(NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1083997998 PQJOTOOEDABLOZ-UHFFFAOYSA-N 522.070 5.788 50 10 KKGE O=C(NN=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1Br 1084073771 TYWGJWVFNGBAOQ-UHFFFAOYSA-N 504.340 5.853 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1Cl 1084224428 KECSGQKXNCHTRX-VCHYOVAHSA-N 603.800 6.376 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 1084377162 CHSSHROFLZWRIR-WQRHYEAKSA-N 501.302 6.593 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084540933 ZTYYWZNMPWFCCL-UQARTHHBSA-N 502.083 6.940 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)ccc1OCc1cccc(Cl)c1 1084586071 YOMNLGATKCZCPL-UHFFFAOYSA-N 638.211 6.694 50 10 KKGE Cc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)ccc1[N+](=O)[O-] 1084596088 VYSRACOHGGKYSW-UHFFFAOYSA-N 576.201 5.150 50 10 KKGE C=CCOc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC 1084653963 KUUWLHGHMDLWKW-UHFFFAOYSA-N 604.128 6.381 50 10 KKGE Cc1c(C)c(C)c(CSCC(=O)NNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(C)c1C 1088727758 DPNOTGPQENLHJR-UHFFFAOYSA-N 509.908 5.432 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccccc6C[C@H]5C)c(C)c43)coc2c1C 1772751792 NCFSAXBBZDOEBV-GOSISDBHSA-N 509.606 5.942 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686111 QUSFVQNFTUYHOZ-QFIPXVFZSA-N 521.379 6.271 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865688165 LRVUUPPAYJKAHE-HXUWFJFHSA-N 541.327 6.034 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3cccc(F)c3)cc2)cc1 1865693679 PWOGREJJRYFOFU-DEOSSOPVSA-N 534.513 6.195 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865695468 CZLDKSJFURAADZ-INIZCTEOSA-N 525.712 5.290 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696372 DXDDLBMKKRCCRR-RUZDIDTESA-N 559.464 6.366 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865702366 UHSPZGKZZMKFKN-IBGZPJMESA-N 532.364 5.718 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704815 FJGKJPLQBRIFPZ-NDEPHWFRSA-N 559.025 6.689 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868300855 JGKUBFMCLBQZBQ-HSZRJFAPSA-N 555.729 6.459 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCCCc1ccccc1 1872781566 JKURCXKUSCPYJD-KGENOOAVSA-N 521.469 8.201 50 10 KKGE CCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OCC 1872790130 MQGPBIZWMBLVNR-XQNSMLJCSA-N 506.668 7.639 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCCCc1ccccc1 1872790666 XEKGWMJSNSTEAQ-HYARGMPZSA-N 521.469 8.201 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccc(Cl)cc1 1872795265 WIFCVHIZHKVRBY-YBFXNURJSA-N 523.441 7.777 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1sc(Br)cc1Br 1922933240 UHKVMWVZUAETGP-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)c(Br)s1 1924033964 WTLUBAYXUDHQSL-UPONEAKYSA-N 518.894 6.670 50 10 KKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924615281 YSMDWACEQCLVFN-CHKWXVPMSA-N 511.899 6.287 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCOCC2)c1Br 1924615609 DGVDGHZOAYPRJM-XPUUQOCRSA-N 511.899 6.288 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cscc1OCc1ccccc1 1939528523 PHVWRGNKKWEYBZ-ZDUSSCGKSA-N 557.554 8.051 50 10 KKGE CC[C@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 2059972456 KASDHRXLYQOAKZ-FJBFPUKSSA-N 810.466 5.719 50 10 KKGE CN([C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080761123 BRPXMMWNFBEZDO-ZMEFLVBSSA-N 607.740 7.013 50 10 KKGE COCCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469251 UBMDAHRIEFVGPC-LBPRGKRZSA-N 584.766 6.989 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2141471180 OVESFDKRZIESBY-IICLESHCSA-N 534.311 6.919 50 10 KKGE Clc1cc(C[C@@H](CBr)c2ccccc2Br)ccc1I 2142938897 CBXQUZHJERNLHX-NSHDSACASA-N 514.426 6.428 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(F)c1I 2145959890 ZROKPMGZNNULLA-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1csc(Br)c1Br 2150344982 XPIXAWZFZCKRQW-LLVKDONJSA-N 547.932 7.145 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2nn(C)c(Cl)c2Br)c1Br 2201064918 LTJOAOXRZXNXFK-LLVKDONJSA-N 505.863 6.306 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)ccc2I)c1Br 2201083026 VSVYPAHRNYOVMJ-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1Cl 2201616965 CELOCPZTLBFCPM-LLVKDONJSA-N 509.797 7.281 50 10 KKGE FC(F)C1CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394542 HUYNUBLVFPUPBK-BIFUPNIPSA-N 560.296 7.698 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 2206406161 VZRPXPYSEJSMES-QNXKQYJZSA-N 548.338 7.309 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C(C)(C)COCc1ccccc1 2225686811 LKZKOURBXFIBAU-CYBMUJFWSA-N 500.662 6.813 50 10 KKGE Brc1cc([C@H](Br)c2ccc3c(c2Br)CCO3)ccc1I 2238060322 NSUCIYJBJHTHGG-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1sccc1I 2252836694 FSKQYRYRVIMUJS-SNVBAGLBSA-N 506.428 6.400 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(F)cccc2I)c1C 2255962986 HIMBQKZEKUCURH-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(I)c(Br)c1 2277967235 ZDWKZQOBSICCCV-CYBMUJFWSA-N 579.295 7.101 50 10 KKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1 2296373958 KLZYSWQNXIPWLB-UHFFFAOYSA-N 516.432 6.073 50 10 KKGE CC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1sc(-c2cccs2)nc1C 2297635206 GLFZFMYRJJPEQS-UHFFFAOYSA-N 502.668 5.196 50 10 KKGE C[C@H]1C[C@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2312064004 MZDJDHOBYQNASX-OVKOADNCSA-N 566.751 7.219 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 2313562040 AALWGPSPGNYKNX-UHFFFAOYSA-N 548.712 7.449 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313568350 RGWDJSZDCFUROA-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313637870 IZNJTWCKUBOQMK-UHFFFAOYSA-N 560.275 7.506 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591989 IZYMXDSQCHKMFF-DEOSSOPVSA-N 572.008 6.822 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593744 SEOKCMASAUMCAE-IDISGSTGSA-N 511.647 5.697 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1OC 2331418389 WTGWCESGZVBLDI-UHFFFAOYSA-N 504.611 7.624 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2362232603 PUYUFMCILZSYRB-BLTYZCFWSA-N 501.362 6.112 50 10 KKGE Brc1cc(C[C@H]2CCCCCCCC[C@@H]2Br)ccc1I 2377289460 CZMAIOPNBUSWCG-CABCVRRESA-N 514.083 7.110 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)sc2c1CCCC2 3283262 KWGYXGRGYYLGJT-KPKJPENVSA-N 554.260 5.580 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14041268 ZDDHNSPVAINBLR-LBPRGKRZSA-N 504.208 5.163 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2Br)cc1 14832345 ODKPNUQPTAYCJI-GOSISDBHSA-N 505.453 5.762 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491614 WGDVWWCTIMLQOQ-NCELDCMTSA-N 558.642 5.672 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38660306 QFYKZEIOLVWNLD-SSEXGKCCSA-N 528.605 5.639 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 38687299 BQOUSERFGDMHKA-QHCPKHFHSA-N 502.979 6.309 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 100173378 ZXXKZJAXQOUMTH-UHFFFAOYSA-N 577.545 5.342 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)cc1CSc1nc2ccccc2o1 100185601 RCAHYFGAXFPLLA-FZPRHHONSA-N 601.084 6.807 50 10 KKGE COC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)sc2c1CCCC2 100921938 DPXOPWMOJFQSHP-UIAACRFSSA-N 598.195 6.038 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244221 VCKZORUJWHRCID-VAMWZUOXSA-N 550.511 6.914 50 10 KKGE CCCCN(CCCC)CC(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 101260392 PUNAQRUCXBPIDU-LQKURTRISA-N 530.898 6.065 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 101286641 NGDMUZLFLUEKQZ-VUTHCHCSSA-N 550.659 5.820 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101336952 CVKTVDLQHKSHDV-XFAVVLCKSA-N 550.659 5.735 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1 101367394 JEFIQMCRTWWJQR-HKBQPEDESA-N 579.565 5.385 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)c1 101375132 QEGFUAGRPNOISF-YTTGMZPUSA-N 570.686 7.126 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380517 IQUMJJXZDWQERK-XFSFLGPDSA-N 564.613 6.558 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381517 VRSTUPVHJQOOPP-WJOKGBTCSA-N 534.568 5.477 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1Cl 101385855 QOOXSCZKBWYBMP-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386046 LVSDKUZXSIVHNW-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386096 CARPRXNVQFJABN-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389808 NBJRFOYKKXWMTM-YTTGMZPUSA-N 617.485 7.174 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101395226 VTDUQFGIDWLNOK-NDEPHWFRSA-N 538.556 5.418 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCC(C)C 101395598 QUCQEAPYOFHQNQ-MUUNZHRXSA-N 603.469 6.985 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccccc1Cl 102348913 KIELWFRVENCPLX-QNGOZBTKSA-N 534.996 5.241 50 10 KKGE N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(F)c2)c(Cl)c1 102977855 JEQVXCVNVUEHFD-GDWCLCACSA-N 524.861 5.988 50 10 KKGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 103099039 SMBKGZUJDDXIFU-HPZACDGNSA-N 528.870 5.918 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 103726151 CQZGCOLXUUKEPI-OKCVXOCRSA-N 567.427 5.568 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 103795922 AOYFMWGLYZCCIA-RQXXSLPSSA-N 614.702 7.831 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(F)cc1 103879720 YKXVOCHHXGQSMU-WCMJOSRZSA-N 551.412 6.805 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc2ccccc12 103880327 DIUPSVGNQOPKRG-SBWWSWLISA-N 579.700 8.348 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 103880959 HPHGXXZPMRHEJD-VFLNYLIXSA-N 606.698 7.353 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 104993151 HBYISHRLHPJGNF-YQYKVWLJSA-N 591.706 7.252 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2C)cc1Br 128756268 QYXLUBSQTVTTGZ-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 150382816 XIPWUGAJHIPUFB-OADPBGPJSA-N 672.155 6.359 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433045 UGXUAGPGSSQBQJ-PGUFJCEWSA-N 673.593 8.471 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150480680 FSHBOCXZHUKMSL-NDEPHWFRSA-N 622.302 7.772 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481798 ALWCFOSAAAIDBH-MHZLTWQESA-N 702.830 10.185 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 150484137 NZSJBOREHNWWBZ-MHZLTWQESA-N 658.003 9.267 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 164644988 YJLSAWCYENDDPV-KVSWJAHQSA-N 715.123 7.056 50 10 KKGE CN(C)[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)[c-]1cccc1P(c1ccccc1)c1ccccc1 198318161 HVDULZQYVUWPIO-KXQOOQHDSA-N 566.645 6.573 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214260652 DIDIWOZFBKJYNR-WFSKJOQISA-N 510.663 6.432 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214427079 ANVRXJXUOZUOKZ-CEUNXORHSA-N 566.658 5.572 50 10 KKGE COCCc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 234694642 UVJASSOWWWHHNI-MRXNPFEDSA-N 510.007 5.727 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)s1 235823892 NMDPNXXNNHJGIU-LLVKDONJSA-N 506.428 6.514 50 10 KKGE CC(=O)N(N=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2c(=O)n1-c1ccccc1 254817072 PVXAKRMWTZLFOP-UHFFFAOYSA-N 524.584 5.625 50 10 KKGE CC(=O)O[C@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC=C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 256015991 ZMHSQCDYRJMLIO-NVLDWDGTSA-N 664.991 6.352 50 10 KKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)s1 309835074 IHAQGZJQIWLYCY-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 719532833 CFVRPGQOXZFNSZ-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE COc1cccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c1 1083886591 BANQMCAWRZMIMZ-UHFFFAOYSA-N 503.780 5.463 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1 1083945497 CYTBOSLWKAMWFU-UHFFFAOYSA-N 686.860 8.045 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl 1083972612 QOQREQNAUJGIJK-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(F)cc1 1083986182 JCYXPQMVTXSZIL-LGUFXXKBSA-N 511.597 5.398 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084047210 YTTXCAIOWZQQQN-UHFFFAOYSA-N 601.729 5.024 50 10 KKGE CC(C)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084147013 ZRMRPJZULQHHJF-UHFFFAOYSA-N 568.017 5.739 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084281393 QIVAJFTXCNFHNE-UHFFFAOYSA-N 583.483 5.341 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084443102 CMQOERPONMTRSZ-UHFFFAOYSA-N 644.537 5.972 50 10 KKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084468042 OHDOJZIUAYQIPT-UHFFFAOYSA-N 515.009 5.704 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(F)cc1 1084487267 DHUHBIFQQBPKME-CXUHLZMHSA-N 597.211 6.870 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 1772754567 YRQDNGKCZURZDV-UHFFFAOYSA-N 552.252 6.181 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(OC)ccc3ccccc23)cc1 1865688283 OMXLIVUANRSDMQ-MHZLTWQESA-N 500.558 5.928 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865696238 YQCPRZVNLHGNFN-RUZDIDTESA-N 546.549 6.314 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OC 1865696569 HWTWEUCYKOITFS-VWLOTQADSA-N 525.024 6.082 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702783 FFZJPTRRODPHIK-LJAQVGFWSA-N 555.078 6.983 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705577 ZKFZMMUJRVCFMN-VWLOTQADSA-N 510.981 5.916 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc([N+](=O)[O-])c1 1865705748 DQHIVMGUZQCKAG-JOCHJYFZSA-N 501.905 5.517 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865706916 IQYCOEQAWVBCMT-PMERELPUSA-N 577.685 5.462 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866643373 NPSAVNPONABGAD-SANMLTNESA-N 526.618 5.146 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866643896 LGMLWMZNXOSBDI-SANMLTNESA-N 510.619 5.440 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2csc(-c3ccccn3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867054263 XGIHZROSXZZEFB-SANMLTNESA-N 571.684 5.002 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 1868253394 GCWIQZFATOVDDS-WJOKGBTCSA-N 538.721 7.148 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748040 FDJBZJMEOIEYEP-BZZOAKBMSA-N 511.990 6.252 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753638 HGLPKAYXUUZHFI-LCUIJRPUSA-N 507.571 6.471 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872754014 YMVBRPZZJONBBO-SQVRLAAPSA-N 521.642 7.319 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1Cl 1872793609 JYZPWJVMIBFVKU-YBFXNURJSA-N 523.441 7.777 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccsc2Br)c1 1899879780 PTPUYUVRGFBEBW-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923037922 GWNZYYRXLSJWNO-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CCC2CCCCC2)c1Br 1924590989 MRYKMZWHYPZNOU-VIFPVBQESA-N 523.954 7.832 50 10 KKGE CC(C)Cc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924616964 VUTXIXJRFAQILP-ZDUSSCGKSA-N 501.509 7.562 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)cccc2Br)sc1Br 1945322001 JQLBXOLMDPEBSG-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Cc1cccc([C@H](Cl)c2ccc(Br)cc2Br)c1I 2083330656 RIAXLKQGMRPLCM-CYBMUJFWSA-N 500.399 6.453 50 10 KKGE Clc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)nc1 2086149368 NDHLYNHSFYJAGY-GFCCVEGCSA-N 501.387 5.781 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2138643254 QDGPNFOSUJRTKJ-SECBINFHSA-N 509.872 7.073 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 2141468912 PBWVCISRESRAKR-IYCUSSIYSA-N 580.778 7.753 50 10 KKGE CO[C@@H]1C[C@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2141469964 YAYODKVUSPSSFE-BUHBCEKZSA-N 538.299 6.442 50 10 KKGE FC1(F)CC12CC([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206397126 FIQPCPCFMBHGIR-JTIOZCSCSA-N 558.280 7.452 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)c(Cl)c1Cl 2232518575 DLORQIBXBDNJAW-NSHDSACASA-N 589.707 8.105 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)c(C)c1Cl 2232530533 SDYIHMYNOHMEQI-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)cc1C 2236017235 KJXUTCSULRRLTN-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1I 2257370170 ZVUXVHUNZSQPQA-LLVKDONJSA-N 566.878 6.371 50 10 KKGE FC(F)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2257858193 CFTJNQLORZYWCI-BFHQHQDPSA-N 531.880 7.153 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)cc1Br 2267749836 PJVBCWLPGGEZEN-MRVPVSSYSA-N 621.183 8.075 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272746983 DYCBQBTZFZXSDM-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2280668050 NHRCRHZPKQTHRQ-LLVKDONJSA-N 566.378 8.297 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2280676309 DKAVFBXMMKBULE-LLVKDONJSA-N 521.927 8.188 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2296506942 MJVKEZNDDPTAJQ-RUZDIDTESA-N 536.484 6.984 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 2297504856 BSMLWKFBNMAXHE-MHZLTWQESA-N 500.429 6.655 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@H]54)[C@@H]3[C@H](Br)C(=O)[C@@]2(O)C1 2297643201 NZMXPNPAWOZZDY-SPRFDWGJSA-N 567.561 5.032 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568780 YONQNZKMMUYTNR-UHFFFAOYSA-N 605.747 7.244 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593459 NDKRRIMDKUBSAI-JIPXPUAJSA-N 511.647 5.616 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314616603 FOCSVRQONIRUQR-UHFFFAOYSA-N 529.556 5.548 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314617280 VGBSWLSKNLPMOQ-UHFFFAOYSA-N 570.693 7.065 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314620327 NAVQOLVEHFKASD-UHFFFAOYSA-N 552.631 5.180 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccsc1Br 2317399946 LKVFQDYPEOBCPB-SECBINFHSA-N 521.869 6.967 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331051539 JFYZVIQUJJEFMN-UHFFFAOYSA-N 547.778 6.978 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1 2331345504 PMJVYIHEOGTPJP-UHFFFAOYSA-N 511.087 8.465 50 10 KKGE Clc1c(Br)ccc(CBr)c1OCc1cc(Br)cc(Br)c1 2362214227 OKBKSXLIPDQMAZ-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE BrC[C@H](OCc1c(Br)cccc1Br)c1ccccc1Br 2366182186 FDPOIFYQXSZATJ-HNNXBMFYSA-N 527.876 6.627 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 38677607 HCPGZFISJVHFHX-LJQANCHMSA-N 516.422 5.147 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 38681157 UFHQXQDXGOMXSS-GDLZYMKVSA-N 512.562 5.025 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38682917 PBNZJXNQQTZBJY-DNOBIOAJSA-N 502.542 5.596 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCC(C)C 38684207 UWHQHISYKGCUHF-GDLZYMKVSA-N 528.605 5.955 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 38687264 CXPYPSYCCQYHFM-RUZDIDTESA-N 500.938 6.149 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)CC1 38688725 URIDREUDCRLWSC-KGBCOHSOSA-N 504.627 6.214 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)oc2ccc(Cl)cc12 38700599 HIPGVEGRDDHPHT-QFIPXVFZSA-N 509.320 6.625 50 10 KKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Br 39852757 QLJSZIJOYYBOOB-UHFFFAOYSA-N 511.807 5.430 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813729 XGGJCZPDFQIMFE-OVVQPSECSA-N 501.326 5.526 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(Cl)c(C)c5)c(C)c43)coc2c1 40827035 XPPCHJWXSQOFBO-DFKUXCBWSA-N 518.997 6.531 50 10 KKGE CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1 53277540 MPXBQLHFJSFHPS-QGMBQPNBSA-N 562.265 6.799 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232663 XHAIASOAGYSGBB-CIAFOILYSA-N 550.409 6.498 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 100452637 LOVMWXDSYPGZOY-CNIQOEEMSA-N 596.319 6.908 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1 100453176 KSOKDUUTZGSQAW-CHVMBPBASA-N 548.808 5.488 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240972 CQLPNSHKPDREMC-HFVAWESISA-N 516.066 6.206 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241317 QUEFMYLAIMHSJD-BUPOLARFSA-N 509.675 6.170 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337690 BVECAKUHOIUIAX-PCEWRDAZSA-N 574.656 7.211 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101338044 MZMVYBCTAKVPKH-OVVQPSECSA-N 519.004 6.028 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362601 LFYNFFCQJWJEGG-YTTGMZPUSA-N 532.596 6.031 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Br)c1 101363510 BFKLWJWECJFXEE-NRFANRHFSA-N 516.178 6.193 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(Br)cc1 101363929 INESDCHHRNSDHR-OAQYLSRUSA-N 526.730 5.448 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 101368101 CPVHNCXOTIFWEG-WJOKGBTCSA-N 542.632 6.084 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101375594 XSUVYGKCYUHVTK-WYOOIXGGSA-N 584.713 7.198 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 101377804 ZGRWAVFJFCKHFB-MUUNZHRXSA-N 551.470 7.780 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 101377947 LCVMKOXZCLJKTA-URAOTHONSA-N 544.623 6.766 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379625 CQQULPXDTPMCIN-PMERELPUSA-N 607.877 7.428 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381870 NRFDCWHKGSDTLO-DEOSSOPVSA-N 594.492 6.164 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1F 101388880 UOYHBMOOFKSPDB-XIFFEERXSA-N 580.612 6.314 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccc(F)cc12 101397946 VHLLJUVCUQEIOL-PMERELPUSA-N 564.544 7.036 50 10 KKGE CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2sc3c(c2C#N)CCCC3)N1 102806847 OTIRQCPIYXRCQV-SANMLTNESA-N 612.762 6.408 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NNC(=O)c1ccc(Cl)cc1 104461231 DFMYYKPDTAOBIN-UHFFFAOYSA-N 543.052 5.239 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 150428891 WPVWQHYMDWJRHJ-KVSGHJDXSA-N 640.372 7.306 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 150429189 NRAIVVSCKZHIQP-HQYUJTHISA-N 682.309 5.904 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150461916 GIJXIGQLXPXBKY-QHCPKHFHSA-N 686.803 8.734 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1)c1ccccc1F 164016049 CILCXORCXUOJEU-HIWRWHBISA-N 640.505 7.818 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214298776 GKTIDULWIHNQHE-YQYKVWLJSA-N 572.665 6.137 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214348551 ZPQQUTPGDJWVKC-OFWBYEQRSA-N 558.707 6.876 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214377356 QQAOBMFLUBHYLY-MNBJERMJSA-N 570.693 6.983 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214392074 BXOLHFVFDQWQEB-YUMHPJSZSA-N 589.608 5.647 50 10 KKGE CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 252595517 CBJRFQOWPCWWSA-UHFFFAOYSA-N 560.890 7.341 50 10 KKGE CC(=NNC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(-c2ccccc2)cc1 252621129 MTMITJXKNVUTEY-UHFFFAOYSA-N 516.233 6.106 50 10 KKGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253562606 DLRZFODVVNGEME-RQXXSLPSSA-N 691.910 6.465 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc1 254521692 QMMKMAVMENQWDK-NDEPHWFRSA-N 512.631 5.548 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nc4ccccc4n3Cc3ccc(C)cc3)ccc21 254750738 BBPBWEHCKAACSS-UHFFFAOYSA-N 531.685 6.763 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254857861 FVJTVFZWCGDVGB-UHFFFAOYSA-N 738.794 6.100 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256019810 GAMNXVXEYMVDAJ-QSICNLLCSA-N 875.999 7.761 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C)[C@H]2Br 256020055 UQRIKZUEUWQUAI-VEIIVLAUSA-N 568.346 6.677 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)cc3c2OCC3)sc1Br 311551739 LAOLWLDJMOUYSE-GFCCVEGCSA-N 514.020 5.843 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c1 695017384 WBPSSEHGHHOIPH-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F 725414275 ZVKIAARLYBNTLN-UHFFFAOYSA-N 603.066 6.496 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 725429043 DJQHCQAPPWIILY-UHFFFAOYSA-N 623.573 5.249 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(COS(C)(=O)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105633 DWRKLKGDQOGDDU-SSWBUFBLSA-N 557.797 6.443 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 1083946909 VNPLICBUVYDWAP-UHFFFAOYSA-N 531.410 5.738 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2ccccc2c1 1084006753 HDJCRCFRPOFVNT-WJOKGBTCSA-N 522.645 6.510 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 1084238719 RNECQKBNBJACFT-XMMPIXPASA-N 555.425 5.089 50 10 KKGE O=C(CSc1nc2ccccc2o1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 1084422629 QIFSEAHCJWCRJT-UHFFFAOYSA-N 500.363 5.596 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084423224 PTXFUJGUKBCWLQ-MKMNVTDBSA-N 649.981 8.950 50 10 KKGE Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)c(C)c3C)o2)ccc1Br 1084522589 UTVDIXBIVGFXFN-BOPFTXTBSA-N 514.217 6.943 50 10 KKGE COC(=O)C1=C(C)C(/C(C)=C\C#N)=S=C1N=Cc1ccc(C=Nc2sc(/C(C)=C\C#N)c(C)c2C(=O)OC)cc1 1084593493 RDGOEDVBMMITKZ-VCSZBRHASA-N 570.696 5.948 50 10 KKGE CC(=O)N(C(=O)N/N=C1/c2ccc(F)cc2C[C@@H]1N(C)C(=O)c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1 1614360628 HWFWSXSNASMKCP-SNUSDTRYSA-N 560.479 5.027 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688896 DNSGERORJIFJFZ-INIZCTEOSA-N 555.738 5.298 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701552 YDALQZFZVAKETD-AREMUKBSSA-N 565.888 7.582 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704579 ZDWKSCZKZXGYKN-SANMLTNESA-N 517.416 6.344 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705535 YPPUCMWONVFAOT-NDEPHWFRSA-N 524.580 6.285 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709172 PWXMPOVWANSYNH-HSZRJFAPSA-N 512.953 5.177 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711578 BSDDRESXNFVFBV-GDLZYMKVSA-N 528.587 6.535 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712479 ZSRYDSLVYCSDOO-MHZLTWQESA-N 574.603 6.934 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866676527 TVRSRRVEKARALK-MHZLTWQESA-N 572.712 5.831 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867208183 ADXKCMMXEGXJNZ-LJQANCHMSA-N 518.477 5.694 50 10 KKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868208317 ZWXNHUUILLRJKH-NRFANRHFSA-N 512.708 6.329 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c(OCC)c1 1872755358 JQGPDFUZUIBQAP-RFBIWTDZSA-N 500.620 7.413 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)n1 1873921097 UYXCDVKFZONFSG-JLCUBGNXSA-N 508.643 7.948 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1Br 1922897945 QYGLCTDJBRAWOM-NSHDSACASA-N 517.906 7.137 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cs1 1923067034 XRFKKKCFGPDJIK-ZCFIWIBFSA-N 519.427 7.491 50 10 KKGE Cc1csc([C@H](Br)c2cc(Br)sc2Br)c1Br 1939883514 IGUNIGYRVQKYCX-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Br 1995047263 FHPBRIPLUCUKBL-JISPFJSISA-N 542.685 5.553 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012784 VXKLAISHHCZDBL-NBQHMYOKSA-N 756.833 13.612 50 10 KKGE COc1cccc(NC(SCC(=O)N(c2ccccc2)C(C)C)=C(C#N)c2nc3ccccc3s2)c1 2040466416 ABEAGSCBTVJDHM-UHFFFAOYSA-N 514.676 6.784 50 10 KKGE COC(=O)c1sccc1NC=C(C#N)C(=O)c1cccc(CSc2cccc(C(F)(F)F)c2)c1 2040565493 SFGKYLIACBKNEV-UHFFFAOYSA-N 502.539 6.548 50 10 KKGE COC(=O)C[C@H](CC(=O)C=Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C 2053584523 MQGVAZIDAZIVGR-QHCPKHFHSA-N 607.821 5.728 50 10 KKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2066676349 ZYYXGONSALYFGR-POYBYMJQSA-N 527.898 5.666 50 10 KKGE C[C@@H]1C[C@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469246 TZKJPZGOKVFLQA-BRDIYROLSA-N 540.315 6.832 50 10 KKGE CC[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141470034 DLBMJLXRCVSWDI-QWRGUYRKSA-N 546.269 7.452 50 10 KKGE Brc1sc(Br)c([C@@H](Br)Cc2ccc3c(c2)CCO3)c1Br 2168660405 HTEQLSYDDOFMJF-VIFPVBQESA-N 545.916 6.649 50 10 KKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(Br)ccc1I 2199539938 ORDZNUWTQIKPEV-HNNXBMFYSA-N 515.027 5.079 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCC23CCC3)c1Br 2206396997 DACCPDYDLIXKHQ-PELKAZGASA-N 594.805 8.143 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2282897607 VKQOLRQXVPEHMW-LLVKDONJSA-N 573.252 7.637 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Br)cc2)cc1 2293198421 NDUZOJOKJWMBQF-QHCPKHFHSA-N 563.433 5.731 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3OC)nnc2-c2ccccc2)cc1 2293707229 CVQJHMSGQOIIKN-UHFFFAOYSA-N 513.623 5.249 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC1CCCCC1 2296730196 FTBSOSLVELZXQK-UHFFFAOYSA-N 520.608 6.613 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)CC1 2314475660 AAMOUERAMIKDHA-UHFFFAOYSA-N 562.699 5.911 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)c1 2314476662 STRCUHQSNWWRDF-UHFFFAOYSA-N 574.728 5.688 50 10 KKGE Clc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314501101 UHDHUNNXWYFZQZ-LJQANCHMSA-N 501.045 7.819 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591834 FXOIJNQICQZHBL-XMMPIXPASA-N 504.011 5.722 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 2314617798 AYGXOBHQAYWELJ-UHFFFAOYSA-N 552.675 6.126 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 2314618345 LSQFMNFTLWURTR-UHFFFAOYSA-N 528.584 5.094 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314620939 WOWGGURTVFJSEZ-UHFFFAOYSA-N 548.643 6.583 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 2314646761 MUJOXRGACXIILZ-GDLZYMKVSA-N 662.768 5.643 50 10 KKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Cl)cc1C(F)(F)F 2325409445 UAEXYDIACCUFDY-UHFFFAOYSA-N 505.665 5.730 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1Cl 2331397429 AXVBLJAQNYPTKG-UHFFFAOYSA-N 503.451 7.603 50 10 KKGE Clc1ccc(CC[C@H](Br)c2ccc(Br)cc2)cc1I 2337219642 VEOMRNLMXMFMRX-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCCCC[C@H]1Br 2341836148 DFOLMQGURRYUHU-HUUCEWRRSA-N 502.028 6.057 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)c(C)c1Br 2343477766 VEFJYOFHTYHFKF-AWEZNQCLSA-N 531.933 7.445 50 10 KKGE COc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1Cl 2365840974 RVWONRXGABCKRG-VIFPVBQESA-N 511.407 6.698 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 9404123 QUZGNDQFDRRNCP-ATVHPVEESA-N 508.372 6.441 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1[C@H](C)CC 14648239 RESQFLQRONGEHR-GOSISDBHSA-N 505.453 5.762 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1 29492072 YXURICVJYSILPT-SWKFRHMKSA-N 620.713 6.770 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684180 LNBHFFWWQBOFFN-MUUNZHRXSA-N 514.578 5.566 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 38688727 CWLUFWAVWYCISZ-RUZDIDTESA-N 506.942 5.193 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825771 NLIHCUHXPJKDEO-ZZBAYNBJSA-N 510.569 5.727 50 10 KKGE Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3C)o2)ccc1Br 58832660 NYCVNPBKLPVEDF-LFIBNONCSA-N 500.190 6.634 50 10 KKGE O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O 97972346 GDMKBGZBHZWAHN-UHFFFAOYSA-N 608.566 7.258 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1[C@H](C)CC 100186573 MJQUWXSUKMFDNN-GOSISDBHSA-N 564.546 5.636 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246029 VWEQKSVQUPGMGO-LVVXZCGBSA-N 550.511 7.490 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 101333015 MEGLJSWBTUHQPC-LFVJCYFKSA-N 512.585 5.860 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 101335263 KKPDXDRKUPXNKF-VFCFBJKWSA-N 538.648 5.737 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362552 DEDYYKPKXJHSLR-MGBGTMOVSA-N 560.650 6.766 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379196 NTUPTADQDHPHBR-HKBQPEDESA-N 567.041 7.144 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101380422 XVHBBNCHMLQQPH-LJAQVGFWSA-N 605.449 7.548 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101383064 IMTFFHQQOWWGAP-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101385386 LUUGTMOVUSOZNX-UMSFTDKQSA-N 568.629 7.173 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101386986 MAMXLYTUGXYPEO-YTTGMZPUSA-N 578.640 7.148 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388706 XGXOICNHKDXDQX-UMSFTDKQSA-N 611.094 7.083 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)sc2c1 101393999 RCSICCPYJWZJPM-QFIPXVFZSA-N 551.849 7.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 101394315 LFPQARSSFJGRPC-IBGZPJMESA-N 596.706 8.606 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)cc1 101592691 XWKRUKYKCMGHBN-TWKHWXDSSA-N 532.394 5.897 50 10 KKGE CCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 101727120 WOWJNXUYUONYSZ-VULFUBBASA-N 548.528 6.393 50 10 KKGE N#C/C(=C/c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102327740 QLHXDSVEAWAUQR-HKWRFOASSA-N 557.632 5.632 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccc(F)cc1 102933298 FXVCDYFHEIFQOY-MFOYZWKCSA-N 556.344 5.725 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(/C#N)c4nc5ccccc5s4)cc3)cc2)C[C@@H](C)O1 103465221 UYHHGHATHSRWIJ-SQGFFGQFSA-N 559.669 5.378 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)cc1 103755230 KNTVNHHGJPQXBO-LPYMAVHISA-N 552.412 6.431 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl 103795865 SJCUEMRRKRZYTM-AMVVHIIESA-N 602.710 7.683 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(F)cc1 103881024 CPCKUTHZDANTBR-FJEPWZHXSA-N 537.385 6.414 50 10 KKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)[nH]c(=O)c23)cc1 103908596 GQIFEXQSYSLDBD-ULJHMMPZSA-N 516.673 6.389 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1csc(I)c1 124404277 DECLUFRATPPUOK-LLVKDONJSA-N 522.427 6.262 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)cc2)cc1Br 128773642 AORWMWITGXAYFM-CQSZACIVSA-N 544.850 6.609 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205657554 DBAWYMAKLFVVDJ-QDFMTWCFSA-N 554.643 6.500 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OCC)c1 206288967 KAJBXEXUFSDFOV-WHXQNIATSA-N 527.573 5.762 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 214241341 LNCOPIKNUHSHRP-DIBXZPPDSA-N 522.649 6.419 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214366119 YEZFUYFHBLKTEF-YKQZZPSBSA-N 548.687 6.808 50 10 KKGE CC(C)(C)[Si](O[C@H](CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1 215739479 CRBPHYMIRLKDFY-IZNNDHRXSA-N 647.838 8.473 50 10 KKGE CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 245204695 GAYMGJQYVVDZLC-KCACMQSDSA-N 965.425 6.690 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(Cl)cc1Cl 256028324 FPBLKDQBPXGDTF-UHFFFAOYSA-N 652.423 7.495 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cccc(C)c2I)c(C)c1Br 312815850 SDOVGOKWLRLPOL-MRXNPFEDSA-N 508.035 6.772 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1I 383328125 XYDGBXSCSJVUQW-CQSZACIVSA-N 554.991 5.623 50 10 KKGE CCOc1ccc(Cc2cc([C@]3(O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)ccc2Cl)cc1 504210203 UTFIOIDDBKLFAJ-UZYORVLWSA-N 713.609 8.385 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@@H]([C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](C)Cl)N(C)C1 605697920 KNWRANWQYPIVSF-XSZBVZHLSA-N 641.540 5.967 50 10 KKGE in-vitro c1ccc(P(c2ccccc2)c2cccc3c2-c2ccccc2[C@]32c3ccccc3-c3c2ccc2oc4ccccc4c32)cc1 642813951 HDSUJTBCYGAEBW-QLKFWGTOSA-N 590.662 9.688 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1cc(Br)ccc1O 1081086797 NAOLDJCHIGMHDZ-UHFFFAOYSA-N 504.178 5.260 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1 1084085578 RJPXLXMKESRGMS-HAVVHWLPSA-N 579.438 5.135 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 1084276315 GYWGZRAORFBUKT-CIAFOILYSA-N 520.416 6.328 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Br)CCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537075 UAMJDBHGEBLGGF-DOKJZSFYSA-N 579.773 10.898 50 10 KKGE CCCCN(CCCC)CC(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742834 PUNAQRUCXBPIDU-UHFFFAOYSA-N 530.898 6.065 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 1772754246 SXYPENYVBHIHPA-UHFFFAOYSA-N 531.834 5.836 50 10 KKGE CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(NCN=c3nc(O)n([C@@H]4CS[C@H](CO[Si](C)(C)C(C)(C)C)O4)cc3F)ncnc21)OCOC(=O)OC(C)C 1848434478 FVBLNPPIUUZCSK-DMTNHVFBSA-N 892.974 6.075 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865687794 ANTAIWAJPBTPMN-GDLZYMKVSA-N 534.660 6.710 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688926 FTWSRDABYYVHFH-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865689237 NCAZSKOCUROOMW-MHZLTWQESA-N 575.496 7.319 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865692071 ABDRDWYWAAXHHN-SANMLTNESA-N 538.604 5.572 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865694511 WQKGVDUEVDRZHZ-NDEPHWFRSA-N 510.569 5.575 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695051 ILCWIMQZLUXOBL-QHCPKHFHSA-N 513.425 5.816 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702492 AZAKMDULJWJDOU-MHZLTWQESA-N 511.025 6.584 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704989 JQRXCJWTYJOUQW-SANMLTNESA-N 506.562 5.271 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865706743 DSBOXQOMNSHXCW-XMMPIXPASA-N 516.960 5.626 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706827 GLECKZKTDFNTBD-MHZLTWQESA-N 543.668 5.070 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707174 PVTMAVUHMORGGO-PMERELPUSA-N 571.722 5.365 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc(C(=O)OCCOc2ccccc2)c1C 1865911658 WFHCXBMIYZUDTN-CAPFRKAQSA-N 504.564 5.015 50 10 KKGE CC(C)(C)c1ccc(CC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1868433627 OQGYXPPNTMLMSA-UHFFFAOYSA-N 568.190 8.870 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 1872747122 OEXMTQMSJWTCFU-RWEWTDSWSA-N 507.571 5.607 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C(C)C 1872753796 NFZWVARKLIBZOX-BTELEZHFSA-N 501.652 6.653 50 10 KKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OCCC)c(OCCC)c2)cs1 1872817961 FUKGVWDSXGSSKU-LNVKXUELSA-N 506.624 6.824 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915297718 KLOQMIBOYXVDGI-KRWDZBQOSA-N 502.190 5.059 50 10 KKGE FC(F)Oc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924601747 NUFMMZZRVULKPO-QMMMGPOBSA-N 555.858 7.121 50 10 KKGE CC[C@H](C)O[Si](O[C@@H](C)CC)(O[C@H](C)CC)O[Si@@](C)(O[Si](O[C@@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[C@H](C)CC 1933268195 JTMGSJWZRADOSX-JAEXENSQSA-N 833.411 10.248 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2050466651 DAHQBMNUZHBSAR-VIFPVBQESA-N 589.287 7.108 50 10 KKGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2I)c1 2053623203 LJKRHVUEYARAPL-UHFFFAOYSA-N 699.670 6.891 50 10 KKGE C[C@@H](CCCCCBr)NC(=O)c1cc(Br)ccc1I 2117892257 CTPULTFOCGZNLY-JTQLQIEISA-N 503.016 5.127 50 10 KKGE Cl[C@@H](CC1CCOCC1)c1c(Br)c(Br)cc(Br)c1Br 2141471323 QGKONQDNZYJWQT-JTQLQIEISA-N 540.315 6.833 50 10 KKGE Cc1nc(Oc2c(I)cc(Cl)cc2I)nc(C)c1CCl 2169482971 AUVNOVHKACUPHK-UHFFFAOYSA-N 534.950 5.487 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2206399079 BZZOLBRBDSVUHZ-LOKDSWTASA-N 594.805 7.999 50 10 KKGE Clc1cc([C@@H](Br)c2scc(Br)c2Cl)c(Cl)c(Cl)c1Cl 2264605338 OAIKCRPUYJVOOC-ZCFIWIBFSA-N 504.285 8.262 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277958208 BVUFBXAATAGTAI-CYBMUJFWSA-N 515.840 6.792 50 10 KKGE Cn1nc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1Cl 2288357780 UGJSXYALIHEPHJ-SSDOTTSWSA-N 558.240 6.124 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1OC 2296732345 XUZUELZOXVLTHQ-UHFFFAOYSA-N 533.675 7.749 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)C1=CNc1cccc(NC=C2C(C)=C(C#N)c3nc4ccccc4n3[C@@H]2O)c1 2297532098 QKPXRAGTEDXSSD-AQOUDTPCSA-N 578.636 5.981 50 10 KKGE Cc1scc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2303600414 ICATTWQIQCZMPV-IBGZPJMESA-N 531.107 7.645 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@@H]2CCO[C@@H]21 2312063736 AKSJBKVAIFXUJK-YZHYPFCGSA-N 524.272 6.051 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 2313518551 IQYQCWQIHZLVKS-UHFFFAOYSA-N 522.355 5.881 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521445 OTDXABGUAIEOGC-UHFFFAOYSA-N 511.803 5.913 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556573 DPNCIHLBSPKOQA-UHFFFAOYSA-N 518.386 5.914 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1 2313568580 WTPUZLBZSKFXNG-UHFFFAOYSA-N 550.428 5.432 50 10 KKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313624117 MWXYMPHQKRHHHT-UHFFFAOYSA-N 514.379 5.404 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314618909 WMIHHLFXRNUGRV-UHFFFAOYSA-N 594.671 6.510 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643465 ZBGQJTXUAGGJMR-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646976 XIDNJIDPXKONPS-HKBQPEDESA-N 690.822 6.424 50 10 KKGE Clc1cc(Oc2cc(Br)cc(I)c2)ccc1CBr 2316759990 PHVWOJJFWPAOPX-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE CCCOc1ccc(C(=O)NN=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)cc1[N+](=O)[O-] 2325902406 AANGKYSSVUSVJU-UHFFFAOYSA-N 511.888 5.591 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1Cl 2331480395 NRIVIGQNRCDFTG-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 2338759704 YVROAAPNBOKVRL-MELADBBJSA-N 504.000 5.154 50 10 KKGE CS(=O)(=O)c1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361196512 YKTIFQXFODESTQ-OAQYLSRUSA-N 510.247 5.916 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Br)cc2Cl)c1Br 2362224896 NTGBXRYYCQGXIV-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE COc1ccc(C[C@@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1 2364261553 RCAXZERNCRTQDP-LLVKDONJSA-N 547.932 7.031 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2365190240 CMOINLBSSDVMMI-SNVBAGLBSA-N 523.899 7.381 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 33347215 NXJQCOAJUMCBSC-LTGZKZEYSA-N 504.608 6.243 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccccc1Cl 33684193 MMVYVLBXCDRYSB-UNOMPAQXSA-N 507.930 5.780 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 35517379 PJPURMRDAYHVKB-ZHZULCJRSA-N 512.543 6.096 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 38682006 WWMSEGMOVDJLJL-PMERELPUSA-N 512.606 6.021 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39992894 MOAFYWOGKVPKMB-QGOAFFKASA-N 504.468 5.668 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 40514540 LINDCKJDOMHTLZ-WPWMEQJKSA-N 520.633 6.170 50 10 KKGE CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Cl)C[C@]4(C)[C@H]3CC[C@]12C 56897646 NNFGKFKPLQYECP-BYXNGVTISA-N 503.039 6.521 50 10 KKGE in-man CS(=O)(=O)SCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 72131328 MZCNISZPXRZDFX-KPSZGOFPSA-N 528.687 5.302 50 10 KKGE in-vitro COc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 97914924 YNDPDPOHAJTTIC-SANMLTNESA-N 521.485 5.547 50 10 KKGE CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)CSc2nc(-c4ccccc4)cc(-c4ccccc4)c2C#N)c1O)CCCC3 100073387 OCNDWONAJXGEEK-LALXJTNGSA-N 614.771 8.158 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCCCCC)cc1 100186850 HQXZZWNATUAIGG-UHFFFAOYSA-N 578.573 6.317 50 10 KKGE O=C(CCCN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 101035795 UGZRYGPDJACTJR-CYVLTUHYSA-N 551.159 5.651 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246453 BTWHKFAYEIGBIF-GJRHSESZSA-N 511.647 5.939 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101332273 LCWNWNFWFWZDGD-ZCTHSVRISA-N 550.618 6.494 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101336463 XJQZXTKISLENMW-UXHLAJHPSA-N 571.681 6.460 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 101337001 KAVPBWMFNDNGGR-CPVAOEHFSA-N 536.632 5.408 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101340380 XUEAGPOHDNNZMC-YZSQISJMSA-N 557.046 6.161 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362605 DTYZTPANVUOVQW-XIFFEERXSA-N 546.623 6.592 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101368057 DTHDLEIGJWUQHR-SLQAJWMNSA-N 546.595 5.994 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc21 101368862 FDKUAOWTORUMLY-OFFQSKLJSA-N 537.797 5.948 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 101368959 YWBHEXXJEAJQMV-SHACYNPGSA-N 539.357 5.188 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5)ccc43)cc2)cc1 101378640 WKFFISBUCNTZHV-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384705 VEDDGXVRENKIGP-MUUNZHRXSA-N 612.296 8.317 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101386268 QCYLNWMBXLNDBH-QPHCHLROSA-N 601.030 6.658 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1Cl 101388300 UEMGUNOPLTZYEF-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388761 YLDKKTBUQMHBBL-JGCGQSQUSA-N 567.041 6.684 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 101395731 FXPYACGZSPYQKB-GDLZYMKVSA-N 563.050 6.754 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101398664 OSPLWXCFVPEEOZ-MUUNZHRXSA-N 591.422 7.157 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccc(Br)cc2Br)c2cc(Br)ccc21 101647283 KGGAQOQCTBPXLA-QOMWVZHYSA-N 602.121 5.410 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Br)cc1 102263099 PHSKIHUHWFILGY-WQRHYEAKSA-N 579.800 7.645 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c12 103138938 JRADGUFJUCMAEI-MUUNZHRXSA-N 555.057 5.483 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 103729956 VMMKUJDFOUEXKA-XPXRSFDGSA-N 560.492 5.985 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 103797226 OAODCCLZGXLFFB-FDAWAROLSA-N 524.964 7.038 50 10 KKGE COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103879515 PSCJGQAHUOBCMD-KBVAKVRCSA-N 531.996 5.430 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 103887261 GUQJPIRFKDTHGB-ZDLGFXPLSA-N 560.673 7.298 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 104952113 MEYIEBQBHKGECD-YVLHZVERSA-N 587.326 7.693 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430620 DCCBDZAOOXDKRO-YTTGMZPUSA-N 685.958 8.572 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150482170 REQLELYCCHFBBT-NDEPHWFRSA-N 642.322 8.325 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 199695436 SKNLXHRBXYGJOC-UNTKAMPNSA-N 861.062 8.511 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1OC 214368563 FNJLBBHEHFMNDC-ONUIUJJFSA-N 619.634 5.308 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](CC(=O)O)OO 224710270 DNDIIQPNVUZGCE-KAYWLYCHSA-N 574.649 6.811 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 226423765 ZATGYRPVDYINRF-OMUYGTQKSA-N 660.840 5.211 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 235821331 FHKKIJDHLGRZTA-CQSZACIVSA-N 576.746 7.529 50 10 KKGE Cc1cccc([C@H](Cl)c2cc(Br)c(Br)s2)c1I 235903967 BUSLEFHSXKLOSZ-JTQLQIEISA-N 506.428 6.514 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 253530141 HQCIIKWOMRRRPN-LTWYFJMYSA-N 521.624 8.723 50 10 KKGE biogenic CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254412318 TZMFPUGUGFXVOK-UHFFFAOYSA-N 539.673 5.410 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254439524 VLYVPQUFEZDKRN-IFDGBGKSSA-N 563.610 5.314 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 254491487 UDPKTDICTZGNBE-UHFFFAOYSA-N 544.681 5.040 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 254619192 KZPRAYNXLNQZAY-UHFFFAOYSA-N 559.478 7.676 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nnc(CNc2ccc(C)cc2)n1-c1ccccc1 254757878 AQWQLKSJLCDMLB-IBGZPJMESA-N 579.524 5.590 50 10 KKGE O=C(CC(=O)NN=Cc1c2ccccc2cc2ccccc12)NN=Cc1c2ccccc2cc2ccccc12 263629969 ZHLKROOMVOPRSJ-UHFFFAOYSA-N 508.581 6.290 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575346886 YPNOPKDREFSCOE-SLUOAJQDSA-N 904.120 8.120 50 10 KKGE N#C[C@H](C(=S)NC(=O)c1ccccc1Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 616444423 MFBIOBLEMFLWFX-AREMUKBSSA-O 544.434 5.393 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2Br)cc1Br 698693963 NVXDELNDAWAWIO-NSHDSACASA-N 503.879 6.828 50 10 KKGE COC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2 725417063 DNEARUTUWYZAFK-YHZCLNAOSA-N 539.997 6.328 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1081168696 LYUFHAGBVBUQDB-UHFFFAOYSA-N 535.167 5.073 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083816846 YXADDVIQROVGOJ-JFDBCFPISA-N 630.892 6.196 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1083891093 VKZMHGXJRMSNQX-UHFFFAOYSA-N 548.220 6.854 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1 1084188363 BNOHFSKNFRSENF-UHFFFAOYSA-N 606.698 7.353 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084236124 RYWBUHVHMFAMES-PMERELPUSA-N 577.537 6.939 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2F)cc1 1084334551 NPJHWHIUZRLJDB-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1 1084384498 RWUUNUYNYATHGT-UHFFFAOYSA-N 553.840 6.929 50 10 KKGE C[C@@H](Oc1ccccc1Br)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084442075 YBGHVDHYXSNSOF-MRXNPFEDSA-N 532.232 5.708 50 10 KKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1cccs1 1084450846 PIURYHMVQXGOBZ-BKUYFWCQSA-N 503.421 6.466 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccccc2F)c(I)c1 1084469389 SBRGLFUOZMULLA-QFIPXVFZSA-N 658.249 5.578 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1Br 1084486671 CNLWFHSPHUMHBT-HXUWFJFHSA-N 540.252 5.139 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 1084549909 XKFRJIGJRBIMBD-UHFFFAOYSA-N 542.060 6.377 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1614653105 FLSVDXHRVUEYES-RGRZXYTLSA-N 539.701 6.341 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OCC 1865686791 AYBULMHPOKYVPT-LJAQVGFWSA-N 566.658 6.352 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865696027 JUPMFJKFPDNPHF-HHHXNRCGSA-N 535.088 6.723 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865696593 IFMJDZODIBRDBP-QHCPKHFHSA-N 526.559 5.973 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865702761 DSJVALGVNKXACJ-MHZLTWQESA-N 506.606 5.922 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)c1OCc1cccc(C)c1 1865705474 WQVXINUFOKCCJS-AREMUKBSSA-N 512.997 5.948 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705612 ACTSXDSYRIHFFI-HHHXNRCGSA-N 541.051 6.261 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706896 IDVLLQIBYRKCNO-RUZDIDTESA-N 546.986 5.635 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866981472 WUHTZOWDVWGRNZ-UIOOFZCWSA-N 505.615 5.513 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)c1 1868365751 WKNITQKYURZLKI-UHFFFAOYSA-N 500.631 7.502 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434226 YKQCZXBBZBXVMD-UHFFFAOYSA-N 575.569 7.522 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 1872754787 JCAMDAQOWIHANQ-BZZOAKBMSA-N 513.619 6.314 50 10 KKGE O=C(c1c(Br)cccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915756928 QEMUGJUZWHUARQ-UHFFFAOYSA-N 516.071 6.172 50 10 KKGE O=C(c1cc(Br)cc(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915759649 FZKWJKJTGXYWHL-UHFFFAOYSA-N 516.071 6.172 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Br)cc2F)c1Br 1922905854 DDKQGARLXZMNQW-VIFPVBQESA-N 535.896 7.162 50 10 KKGE Cc1cc(F)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924584662 AWEDBYROTLRTTM-SECBINFHSA-N 521.869 6.967 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Br 1995047071 DHMVJAJBPBJGFT-JISPFJSISA-N 561.131 6.800 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)nn(C)c2C)c1Br 2067854442 FMXFSNVLYSAFHH-MRVPVSSYSA-N 521.898 5.870 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2csc(I)c2)c1Br 2085493314 AMENHYTWNDPMCM-SECBINFHSA-N 694.644 7.887 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccoc2Br)c1Br 2085496926 YRSQXXKWKMYZLM-QMMMGPOBSA-N 631.576 7.576 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1Cl 2086149644 QFIDJFHQEBSFLQ-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccccc2I)c1Br 2136372918 WYVGYSOZSXNRPG-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2138872767 LUNTYFJFCLPSSW-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)c(Br)c2)c1Br 2201068989 JAZBSYKRHZMDON-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE FC12CCC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CC1)C2 2206395738 QAFGRBHREKJZHV-HSBZDZAISA-N 554.317 7.689 50 10 KKGE CC(C)(C1CCCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398897 AARLBLLONBSPME-AWEZNQCLSA-N 596.821 8.389 50 10 KKGE C[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2214911484 VVJOWULDWNOLJD-GOZTUDAPSA-N 554.740 7.219 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2225617850 WCZBKSFIWCQGKK-ZDUSSCGKSA-N 580.709 7.360 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2232835892 ZYCDIQGLBZQMNI-LBPRGKRZSA-N 524.838 7.651 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1Br 2235609053 MNVSNSCASCKQAI-INIZCTEOSA-N 525.904 7.384 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)cc1C 2236017597 LDVOGWSMUIVHNL-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288348108 BNICFQAYNJBBPR-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 2294168333 FFBILXORHOQFCF-UHFFFAOYSA-N 527.418 7.126 50 10 KKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2295292738 VMURQEMCMGLQRB-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)sc2Br)cc1Br 2295430182 JCHOIAYSNZFVOJ-LBPRGKRZSA-N 549.904 6.537 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C[C@@H](C)O1 2296544445 GRCHLKQVNWMTCX-FGZHOGPDSA-N 581.723 6.011 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347334 NFCKSSBWQPNHCJ-UHFFFAOYSA-N 528.590 5.267 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1 2313555873 BUDZSFHFCLTOLW-UHFFFAOYSA-N 530.422 5.784 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1 2313570747 FJOPUNYDIITRIW-UHFFFAOYSA-N 611.117 7.652 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Br)cc2)s1 2314433880 WDYYLLMRIFTKBD-UHFFFAOYSA-N 637.562 6.858 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593271 KNSDZINBJQCOPW-KDYSTLNUSA-N 511.647 5.697 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314594155 ZYGPWQUHFYZXFW-VWLOTQADSA-N 502.039 5.700 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314616747 IWUYIYPONRHMSR-UHFFFAOYSA-N 631.758 5.549 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314617920 DBYNALRLMFXBOZ-UHFFFAOYSA-N 534.641 6.427 50 10 KKGE BrCC1(CSc2cc(I)ccc2Br)CCCCC1 2316386172 CZUDFIBVGUMHNQ-UHFFFAOYSA-N 504.069 6.491 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1F 2328835319 PINGVMVOZJSTPS-UHFFFAOYSA-N 501.599 5.339 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCCc1ccccc1 2331429853 MYTOVAURQYJMDM-UHFFFAOYSA-N 517.448 7.267 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1OCCC 2331437768 AKYLGGUKNQUCQJ-UHFFFAOYSA-N 524.642 7.671 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336074354 FJIGPIRKCPTWEX-LJQANCHMSA-N 502.580 7.444 50 10 KKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2338886977 KQJXLVLYZCCXQB-MGPQQGTHSA-N 504.000 5.010 50 10 KKGE Fc1ccc(C(F)F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2363673685 PRFQEWXBISNYEX-SECBINFHSA-N 513.398 7.441 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1CN1CCCc2ccccc21 3064505 MWRBJTHVHMRZLO-JVWAILMASA-N 525.390 5.017 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 33467044 FZLNNRSQAHNHFT-YVLHZVERSA-N 505.328 5.885 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 100452508 DAPVWCUKYOTROR-MGCJZSHXSA-N 545.817 5.344 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243321 HLPOWKMHRFCKSL-MGLWIZMLSA-N 530.093 6.767 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101336193 CUMCQWAWNBATQW-TWKHWXDSSA-N 580.729 6.680 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C2=O)cc1OC 101339143 WSDVNSJJWBEKNI-VUTHCHCSSA-N 586.692 6.317 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc(OC)c1OC 101368657 BICDAIRPOUTENO-MHZLTWQESA-N 530.577 5.185 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccc(Cl)cc5)ccc43)cc2)cc1 101378925 RABMDZMQWJUZMU-HKBQPEDESA-N 537.015 6.594 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379154 XIYKWXNQDOSOIF-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381033 MHRRFYJJAOZMHH-DEOSSOPVSA-N 612.482 6.303 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384590 SUUMYCFFTXLFEN-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387562 HJBDJIJBVDHWKE-MGBGTMOVSA-N 623.492 8.172 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1Cl 101392824 BVGCYXTUFOBKLT-VWLOTQADSA-N 555.414 6.237 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101397730 LFCDHBVPNZHEHF-NDEPHWFRSA-N 617.485 8.364 50 10 KKGE CCOc1cc(/C=C(/C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccccc1C 101397753 ZMKFANKBYIUQKF-HMAPJEAMSA-N 538.438 6.695 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399087 MJLCYPLUMXSECO-XIFFEERXSA-N 600.671 7.691 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC(C)C 101727479 DMKKEBUKZOKJAV-KIBLKLHPSA-N 554.919 6.264 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccccc1Cl 101766592 FMBFKVNSQMGFGH-MUFRIFMGSA-N 545.861 6.308 50 10 KKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 102666327 AESPXFCPZQPPLF-ALAMRGAJSA-N 528.848 6.712 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C\c3cc(C)n(-c4ccccc4F)c3C)c2C)c1 102941626 FIWSRMRDISVRHR-MXAYSNPKSA-N 553.590 6.004 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 103741663 CFIXAAZZMJWZGT-SCIJIFGBSA-N 538.854 6.167 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103742000 NHVMQXFJXYMUIU-QPQMVVSWSA-N 563.433 5.100 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1 103797258 LAONGQGYWSKEGM-KKMKTNMSSA-N 565.194 6.687 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 103888389 TWAMSAJKCSJRMX-NDENLUEZSA-N 536.382 6.189 50 10 KKGE Nn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccc(Br)cc1 104768904 IRZPOHHDMYEEET-XODNFHPESA-N 616.339 5.005 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 104996642 ONSLRWZSJNDCCZ-GXVXDJONSA-N 538.047 6.112 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2csc(I)c2)cc1Br 128688087 KDIAABZYPFOITB-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 150497876 HILSXMYVTLUKLD-FADJLKOXSA-N 655.154 7.615 50 10 KKGE Br[C@@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155253480 OEPUJWMPMQIGOR-VXGBXAGGSA-N 658.881 5.975 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@H](C)C2 205778410 JGBZEPIDRFFBBZ-ZHYVSFMGSA-N 630.726 5.088 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214340868 WNVASWKCVVHYOC-VJIBAWDSSA-N 645.785 6.313 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2=O)cc1 214391422 OFUCDKMAGSKUEB-DXJNIWACSA-N 550.618 6.494 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 233778817 IUIWOCBRUCNVCW-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c(O)c1 252614281 JIIUQNQCSAFOFJ-UHFFFAOYSA-N 514.655 5.037 50 10 KKGE COc1c(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(C)cc1C=NNC(=O)COc1ccc(-c2ccccc2)cc1 252626761 RFCAMFWNGAQDPB-UHFFFAOYSA-N 626.713 6.396 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CCCSc1ccccn1 253565319 HPHSHYJMAMDGQI-JGRMKTMXSA-N 558.796 7.070 50 10 KKGE CCC(=NNC(=O)CNc1c(Br)cc(Br)cc1Br)c1ccccc1 254739434 FSBQMHUDXLVDFG-UHFFFAOYSA-N 518.047 5.317 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 256028551 ULJZDBSWJYQICJ-UHFFFAOYSA-N 529.474 6.333 50 10 KKGE Cc1ccc(-n2c(CCl)nc3cc(I)ccc32)cc1I 383525507 KEGQVFZVSXXXND-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE CC1(C)C[C@H](Br)CCN(C(=O)c2cc(Br)ccc2I)C1 395356867 VGLBUMVTFBZEET-LLVKDONJSA-N 515.027 5.079 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575626917 ACJHNDYFTFXEOF-MZZWOSIPSA-N 984.181 5.736 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)s1 688086034 MXUBEDPTLMOEFA-VIFPVBQESA-N 539.934 6.728 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1083888929 APCZDZQEIYBEMC-LJAQVGFWSA-N 550.486 6.944 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1 1084025721 VHCYYAARUNSSKV-UHFFFAOYSA-N 608.536 7.875 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084059206 YCRQYEXRNOYJBE-UHFFFAOYSA-N 507.801 6.397 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084390674 NLVMJAXHGKKRKO-UHFFFAOYSA-N 578.090 5.582 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084524023 RSOODCPWYDGCKV-UHFFFAOYSA-N 623.087 5.490 50 10 KKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084619087 SXZWWUDQRSPHDF-UHFFFAOYSA-N 504.377 5.087 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 1848434253 SPHUIJWPZSWHEE-NREZLWPYSA-N 510.923 10.671 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865697235 YCYAOHBLFJFFHZ-QHCPKHFHSA-N 526.559 6.136 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865697237 YDRYIHYEOBWLTN-SFHVURJKSA-N 522.186 5.182 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707990 LDNXLLQELYJZPW-MUUNZHRXSA-N 530.584 5.936 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865708719 DRFDZLQSHLQMQX-MHZLTWQESA-N 564.086 5.342 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865708792 GFEXZDHLMKVKOD-PMERELPUSA-N 577.685 5.793 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865710977 MVNCMQLHDYNVKN-XMMPIXPASA-N 514.969 5.437 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866725838 VNHWUDUFKISXTQ-WDYNHAJCSA-N 543.758 6.817 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H](C)N1c1ccccc1 1868207222 KEFKAMXJZWYLTB-DHIUTWEWSA-N 506.679 6.488 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc(Cc3ccccc3)n2)cc1 1868208309 ZMWRXRZDJWUOFZ-UHFFFAOYSA-N 545.672 5.828 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)n2)cc1 1868320805 OGELMDISRVUBSD-AREMUKBSSA-N 536.636 5.854 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)n2)cc1 1868321123 VZIAISWJCMGGKP-UHFFFAOYSA-N 555.151 7.177 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)c1 1868413551 AEROHCQTQFEYNS-UHFFFAOYSA-N 557.123 6.487 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(C)c1 1872794326 VPACBEAXZMJCQS-WSDLNYQXSA-N 505.470 8.685 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2sc(Br)cc2Br)c1 1922941523 ONWJLYNFEPVINQ-JTQLQIEISA-N 571.297 7.015 50 10 KKGE O=S1(=O)CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924609211 UDRGGDHSYBWHCU-NJGYIYPDSA-N 531.911 5.049 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)cc(Br)c1 2010827030 LCOVMWJUYYPHDC-UHFFFAOYSA-N 500.322 5.207 50 10 KKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2047871400 FEOMOHKDIZJILG-UJURSFKZSA-N 533.852 6.143 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2083333847 KAFMNZGTOKDHSW-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)cccc2Br)c(F)c1Br 2094094876 HAIPWUODMPJALD-NSHDSACASA-N 519.803 6.737 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@H](Br)C(F)(F)F)c1cccc(Br)c1 2106789398 YFKQDJFRFIDUCM-AWEZNQCLSA-N 504.185 5.496 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141468899 OZOZAXQZZWLWJH-FRSIUCEKSA-N 540.315 6.832 50 10 KKGE Cc1csc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141476749 GJXFBNIJERMGLK-LLVKDONJSA-N 572.769 8.088 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)cccc2Br)cc2c1OCC2 2150503014 HFAVLQCLNRNPNS-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 2154360376 CIGJDLYDALXJNW-UYAOXDASSA-N 512.717 6.488 50 10 KKGE C[C@H](Br)CCCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2189284367 IYRSUSBYZZIHIG-QMMMGPOBSA-N 530.884 5.661 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2202366197 NTLHHKSZUIHLDP-VIFPVBQESA-N 507.835 5.745 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206397313 HVDLVUPPVWUWAC-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398262 SOIRWDOEVWGSBF-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE COc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404717 BPQRQTMTVBYTRZ-AWEZNQCLSA-N 548.294 7.073 50 10 KKGE Cl[C@H](c1cc2c(s1)CCC2)c1c(Br)c(Br)cc(Br)c1Br 2206404756 CCWWRBLXKURNJS-CQSZACIVSA-N 564.362 7.615 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616044 MPWFDWIHYZWIIL-CYBMUJFWSA-N 566.803 6.579 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232514167 ZRSVNQSHAHFOMQ-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2csc(I)c2)c1 2252836147 YLSFGXPVIQPYBT-NSHDSACASA-N 550.879 6.556 50 10 KKGE CC(C)(C)CCN(CCBr)C(=O)c1cc(Br)ccc1I 2289866342 FOKSAPCKHAMBQW-UHFFFAOYSA-N 517.043 5.327 50 10 KKGE CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C=C[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@@H]2Br 2293438635 KCHBNJFXKOPVID-FWGLHTQWSA-N 616.026 6.115 50 10 KKGE N#CC(=Cc1ccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1)c1nn(-c2ccccc2)c(N)c1C#N 2296647867 SDXMFGAVBQTGHI-UHFFFAOYSA-N 544.582 5.094 50 10 KKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1csc(Br)c1Br 2299526521 YNDZQDLEBYDCTL-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23COC[C@@H]2C3)c1Br 2312063975 LSFGVVUDJRYJAR-ZTWXUTTESA-N 568.723 6.209 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc(C)c1 2313568277 TVULEUZFONQOPX-UHFFFAOYSA-N 521.661 5.957 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1 2313571484 XJAGTXBYBXEHGP-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313631941 ZLSSCPPMEGNRFC-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314571072 BCSJRQPWXZLIGK-UHFFFAOYSA-N 501.361 7.003 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592169 MZJBXFKRQGXMLN-VWLOTQADSA-N 536.484 6.984 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592966 FEDFXTFTRDBDQJ-DFHRPNOPSA-N 525.674 6.006 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314617359 WSXIBSWKCUDDAA-UHFFFAOYSA-N 558.638 6.129 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 2314619541 AVDVVICSVHMMCJ-UHFFFAOYSA-N 575.068 6.858 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(Cc4ccccc4Cl)C(=O)C(C#N)=C3C)o2)cc1 2314620731 TXWSJHHAJDMMDP-UHFFFAOYSA-N 500.938 5.569 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314640640 GRPBHYGAEPDBCG-JGCGQSQUSA-N 536.672 7.390 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643337 SKPAGJROMPSFMX-UUWRZZSWSA-N 609.078 7.163 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1OC 2314750925 DQLUPZMQKMLMEP-VWLOTQADSA-N 574.630 5.182 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)NN=Cc2cnc3ccccc3n2)cc1 2321698199 JKNCQVASVZAXPB-NRFANRHFSA-N 523.637 6.047 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C)cc5)cs4)cc3C2=O)cc1 2331312091 DSPDSIIDUBRJCN-UHFFFAOYSA-N 507.571 5.873 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331405573 YMBRCKUMSRKUGG-ZSEKCTLFSA-N 512.418 6.620 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2352540051 WHTNTFOQVADFCP-TYJPWROHSA-N 582.750 6.740 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@@H]2C(F)(F)F)c1Br 2362239441 YCSVOTXCZCQXIM-DQSPEZDDSA-N 503.353 7.029 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Cl)cccc1Br 2365196291 KTTXAPXQHPWXOG-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Cc1ccc(OCc2cc(I)ccc2Br)c(CBr)c1Cl 2367519974 OLCYGEYGSSTPFH-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE C[C@@H]1CC2CC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368040865 XXPNUPZPRYPAFX-XXNGCHEGSA-N 596.777 7.130 50 10 KKGE Brc1cc(CN2C[C@H](Br)C[C@@H]3CCCC[C@H]32)ccc1I 2377317640 PXXLXGQWSACWIC-WOSRLPQWSA-N 513.055 5.582 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38676742 ZGKJNTNIJIZFSI-HHHXNRCGSA-N 505.486 5.824 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCC(C)C 38684227 ZTWYIIIAXLRVLG-PMERELPUSA-N 528.605 5.549 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)cc1Cl 38688405 DYGLMRIVDXOTBA-NRFANRHFSA-N 501.391 6.281 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccoc3C)CCC4)ccc21 40823405 XZXKBCSKVDXTNT-AWSUPERCSA-N 508.578 6.340 50 10 KKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 40890573 BVTJVCNLRNAZCU-LPSAYDQGSA-N 503.982 6.829 50 10 KKGE CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 72399861 ZIFSFLGSUTZFCP-IOLKCIIWSA-N 592.759 5.435 50 10 KKGE in-vitro CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100189182 ICCUXULDQPWNQX-UHFFFAOYSA-N 556.482 5.010 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100190871 RCJZUQUPNXKBDD-UHFFFAOYSA-N 607.752 5.004 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1 100237771 DNOBVWMIPZSXNT-ZSYYNXLFSA-N 602.469 5.550 50 10 KKGE CCCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21 100870235 JKWJLVHXRMXIRP-PJJLUWSFSA-N 571.475 6.344 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245198 MDZIJPGHOKMKOV-IDJUBOEBSA-N 518.038 6.112 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101246880 WQOGZFMDAJOQBB-KVILUOORSA-N 552.483 6.684 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101336536 KHLOUVMCEVYXGU-KZJCWCHPSA-N 541.611 5.359 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378882 MPZASWNUFLQZRP-NHRFMIRVSA-N 560.650 6.728 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381148 RIUPCWGYKZGPIJ-NUGVRVGBSA-N 603.889 8.063 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 101382312 VIYDFPVDNQATDK-UMSFTDKQSA-N 574.677 7.074 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101389048 QIJTUJWEENMWMI-PSXMRANNSA-N 600.646 7.323 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1Cl 101392545 YLKQFBTUYVRNCQ-AREMUKBSSA-N 569.441 6.627 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101397189 CEYIGQFLIZOTPX-MUUNZHRXSA-N 581.496 7.789 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2Cl)c1N 101531824 BGFUCKBVDGYLAJ-UHFFFAOYSA-N 503.135 7.362 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OC(C)(C)C)c1C 102924595 ZGQBJSHYQROQNP-GHRIWEEISA-N 525.652 6.297 50 10 KKGE CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 102934576 IQNMYUPVUSFZBQ-RCCKNPSSSA-N 521.598 6.859 50 10 KKGE O=C(NCCc1ccccc1)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCC(Cc2ccccc2)CC1 103266712 RNSGIHMVGBUXDO-UHFFFAOYSA-N 524.492 5.860 50 10 KKGE COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 103879478 CGLKUKNYWBGNKC-XICOUIIWSA-N 544.655 6.719 50 10 KKGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 150388641 IGNWZZBMZUTIEE-UHFFFAOYSA-N 674.209 5.169 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 150418923 SUUQDDFHWPTDJF-UHFFFAOYSA-N 631.552 5.581 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1 150461673 CQMHYABPPNABLS-RUZDIDTESA-N 624.518 6.172 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2I)c1 150602973 LJKRHVUEYARAPL-IUXPMGMMSA-N 699.670 6.891 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 163408152 NFEZVECVWYWEEM-UVUYFVAOSA-N 646.558 6.618 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 164650927 YJPVZUHBHUPBTO-SEBMTOOBSA-N 649.545 8.195 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778026 HVJQOUCDOFRZLQ-HIQWWTPOSA-N 632.742 5.635 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 214359943 DMAVAFSCJVORKB-USHMODERSA-N 583.714 5.105 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214422628 HJFZOBREQAYZJQ-YKQZZPSBSA-N 590.611 5.413 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214426848 UIEUDCJURQJKNZ-XYGWBWBKSA-N 556.594 5.013 50 10 KKGE Cc1[nH]c2ccccc2c1C=NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 254295581 BWXXJPVTNZOINI-UHFFFAOYSA-N 500.502 5.060 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 254753714 QCDAPCLAWUINIF-YISGMLETSA-N 527.513 6.250 50 10 KKGE CC(CC(=O)Nc1ccccc1Br)=NNC(=O)COc1cc(C)c(Br)cc1Br 254789579 UGYLNUUSYATMDN-UHFFFAOYSA-N 576.083 5.182 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)sc2c1CCC2 256017270 BDOWCQVASOKXLL-UHFFFAOYSA-N 528.030 5.810 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025269 VXKLAISHHCZDBL-GJXJAZRWSA-N 756.833 13.612 50 10 KKGE Fc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1Br 380345668 ZLLDESAJIGIATD-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Cl)ccc2I)C1 382698301 BOLBJHYOPGBLHT-RHSMWYFYSA-N 534.619 5.692 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@@H]([C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](C)Cl)N(C)C1 605697919 KNWRANWQYPIVSF-ITWYXLNQSA-N 641.540 5.967 50 10 KKGE in-vitro CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)F)CC[C@]23C)C1(C)C 685945331 CXLNOXUBAXSJIP-DFHVBEEKSA-N 500.739 8.216 50 10 KKGE Brc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1I 721593764 LQEGXORACNEDNQ-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE Fc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Br 721613203 KGFOLGNQLFALJV-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725384047 FOVSUGLCCWRGPC-UHFFFAOYSA-N 535.431 6.069 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(I)cc2)c(Br)c1 725387728 ACXYYJHBAPMEFD-QFIPXVFZSA-N 593.259 5.597 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 725398891 VOYJWXWPGXLIKF-UHFFFAOYSA-N 603.959 6.784 50 10 KKGE O=C(NN=Cc1ccc(I)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 1081086909 YOAYASJCUNUEDQ-UHFFFAOYSA-N 535.179 5.397 50 10 KKGE CN(C)[C@H](c1c[cH-][cH-][cH-][cH-]1)[c-]1cccc1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1083049491 BSLSZELRRWJSJY-AREMUKBSSA-N 654.455 8.890 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1083965849 DHJIZFZPUBRBDH-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)C(C)C)n[nH]1 1084047912 WXRYUQMWQITHQX-UHFFFAOYSA-N 620.828 5.112 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084072859 IAFIZBZMSXVQOP-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084076824 RJESRDODOPGREB-UHFFFAOYSA-N 613.567 5.793 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2)cc1Br 1084078476 MGTVFDSCEIERTQ-UHFFFAOYSA-N 627.536 5.658 50 10 KKGE COc1cc(C=NNC(=O)c2cccs2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084136530 ASNPPGISDCLBCL-UHFFFAOYSA-N 514.228 6.169 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 1084215343 VHFSJVLGKRGARP-MHWRWJLKSA-N 536.640 7.534 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2cc(Br)ccc2o1 1084255146 VUQDOJRAROAYGO-UHFFFAOYSA-N 522.402 7.115 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084426411 QQNPIGVQSBSRMZ-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1I 1084460834 FXYAMXUDCIEKLQ-UHFFFAOYSA-N 547.352 5.365 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1F 1084464266 XBAXIRFEYXFIAJ-LPYMAVHISA-N 562.439 6.313 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 1084536183 ILUZAQMQEYYTNG-HSZRJFAPSA-N 541.000 5.019 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084542419 LAXDTMFSCCYUJM-QHCPKHFHSA-N 634.321 5.882 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084560050 XEWWHWXVRNFQAA-DEOSSOPVSA-N 592.861 5.886 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772743508 AOSBUKPEQRKHSC-UHFFFAOYSA-N 526.387 5.090 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682684 VPOMIROHKYLEKE-RUZDIDTESA-N 555.476 6.826 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCCc1ccccc1 1865688198 MXZNRFHPMVCEEA-HKBQPEDESA-N 572.640 6.586 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865688509 UDUJHTKNCGHOAX-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865693538 KNDLVUSCQCUDLP-VWLOTQADSA-N 564.539 6.285 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865694371 XEFINSCJSOFAKP-SANMLTNESA-N 522.605 5.541 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695737 SCTWWJMAPSIYLT-PMERELPUSA-N 575.068 7.307 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698967 HDDHVADRSDCIFU-SANMLTNESA-N 539.998 6.109 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700684 BDRFWACRHJDSSZ-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865703193 PKJSMMLRPCDWMV-SSEXGKCCSA-N 555.638 6.439 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707475 XQRPVECNOZFVRV-MHZLTWQESA-N 554.492 6.442 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1865711743 HFDAYSFSMIMXNX-SANMLTNESA-N 535.560 5.113 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866658392 RKOPOBVSSLLLRG-SANMLTNESA-N 560.676 5.962 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866771974 PDDSUBCNUYRRMH-VSGBNLITSA-N 561.773 6.763 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866783498 QUTYTMFRBOFARN-XZWHSSHBSA-N 569.727 6.978 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCCC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 1866798289 JOIRBCXMYQETTR-RUZDIDTESA-N 536.451 5.871 50 10 KKGE Cc1[nH]nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867282181 ZKJLYJXESMMRHL-XMMPIXPASA-N 527.675 5.629 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)[C@@H](c2ccccc2)c2ccccc21 1868206975 BAUBWSCZELSROD-UMSFTDKQSA-N 553.735 8.271 50 10 KKGE Cc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1868480848 VKUBQLQEJUBDEB-JOCHJYFZSA-N 505.047 5.436 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c1 1872754706 FIQIDCZYMHRFJX-QOCHGBHMSA-N 519.450 7.566 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1872757197 UKMMHEKZUKWIHS-VLGSPTGOSA-N 518.866 7.768 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c(C)c1 1872757276 YGKZWYKNAQKPHB-PNHLSOANSA-N 505.599 6.481 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCCc1ccccc1 1872784307 JOWIQUXINPZPBP-HYARGMPZSA-N 517.448 7.267 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)c1ncc(I)cc1Br 1888099012 NCXCNUFFXFOFQZ-GFCCVEGCSA-N 524.038 5.629 50 10 KKGE Fc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924586221 VMJFKYOSYKKXPT-QMMMGPOBSA-N 521.869 6.853 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)Cc1ncccc1Br 1924862171 UMVKRMKXVRDFTR-LBPRGKRZSA-N 545.838 5.890 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1(Br)CCC1 1960901297 WYTMXECNZFFHLB-ZCFIWIBFSA-N 502.291 6.680 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2009621036 AKCITWVFQPGOKJ-UHFFFAOYSA-N 501.490 5.213 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2016568788 UUVHYWLHXNBSBS-UUARJNLQSA-N 505.895 6.374 50 10 KKGE Brc1ccc(Br)c([C@H](Br)Cc2ccccc2I)c1 2027336002 MINODCHKTZTRLR-CYBMUJFWSA-N 544.850 6.495 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C/[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OS(C)(=O)=O 2065314104 AAPWYQTYJAUTOY-ATDHTMIPSA-N 627.876 6.726 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2085497460 WRQMALBETHRVPB-LLVKDONJSA-N 558.742 7.780 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNc1ccc(I)cc1C(F)(F)F 2125294538 VVVUFODIFONQLB-UHFFFAOYSA-N 522.396 5.628 50 10 KKGE Clc1cc(CC[C@@H](Br)c2ccccc2Br)ccc1I 2142941015 RYZHNNXKBFVXSB-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3scc(Br)c3Br)cc(Br)c2O1 2146616953 VBINVIWUALRSFV-KSBSHMNSSA-N 545.916 6.843 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1c(Br)sc(Br)c1Br 2163396447 OXIAEZVSNVHJQD-POYBYMJQSA-N 557.918 7.687 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)Cc1ccc2c(c1)CCO2 2168658540 ACFMBUMVNXZRTO-VIFPVBQESA-N 501.465 6.540 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204521780 KMDQQTKYPVCZQE-ZWKOTPCHSA-N 514.689 5.477 50 10 KKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(Br)cc1I 2240007035 OVFQLWZBGWSJRX-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE Brc1ccccc1[C@@H](CI)OC1CCN(Cc2ccccc2)CC1 2250381803 BAVFSEYWOCPIGS-HXUWFJFHSA-N 500.218 5.606 50 10 KKGE CCc1cc([C@H](Br)c2cccc(F)c2I)sc1Br 2255977376 ILSPJOASNLLOMG-LLVKDONJSA-N 504.000 6.301 50 10 KKGE CCc1cc([C@@H](Br)Cc2ccccc2I)sc1Br 2255979898 RMOQNAQILNELAU-NSHDSACASA-N 500.037 6.356 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 2258107539 MFVJSPLWRYTJBN-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)s1 2264607715 PPOGCHOOCJPAAL-VIFPVBQESA-N 509.510 7.009 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1Cl 2296507040 QFELVKJKWZCKDO-MHZLTWQESA-N 524.045 6.867 50 10 KKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 2297551425 JCJQSAMGKIWCCQ-UHFFFAOYSA-N 515.545 5.327 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(Br)cc(Br)c2)s1 2300953976 QQAAWQIKDSBDSY-JTQLQIEISA-N 571.297 7.015 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F 2313567101 GHJYUHIGUXEYQK-UHFFFAOYSA-N 520.004 5.713 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(C)c1 2313571385 VBLRLWCKIPYPJM-UHFFFAOYSA-N 593.248 7.040 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447963 CYYVYTAUNMFGCW-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2314531487 BKVGKPOZXDEQID-UHFFFAOYSA-N 506.440 5.060 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 2314531564 CGQAECDJQAFMEK-UHFFFAOYSA-N 549.370 5.516 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592271 PNGDVCBQYSRCDI-XMMPIXPASA-N 548.462 5.831 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592650 ZMRFMZWFZPUGGD-RUZDIDTESA-N 501.583 5.462 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593129 HWUGKKJENZQXRR-QYBDOPJKSA-N 600.062 7.061 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 2314634114 NNOHBFRBLJPFOI-VWLOTQADSA-N 503.352 5.295 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 2314643329 REDGFRRRLPFNBX-XIFFEERXSA-N 562.597 6.640 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 2314773987 MXEWNIALQZBCNQ-UHFFFAOYSA-N 502.567 5.400 50 10 KKGE COCc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 2315096788 CWRPZROKTJDCOO-CYBMUJFWSA-N 502.009 5.746 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 2331397462 FJSNPJKENMUKAY-SNVBAGLBSA-N 516.233 7.692 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccccc1 2331491930 XWLQCUKAJGAEAY-UHFFFAOYSA-N 503.023 7.514 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2335295193 YVZHLVGZPFRXDZ-VIFPVBQESA-N 532.281 7.857 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 2337081202 SQYRDKHNWCJRCA-GOSISDBHSA-N 563.486 8.067 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2scc(Br)c2Cl)c1Br 2337088569 NKGKIOTUEQLDCA-QMMMGPOBSA-N 576.732 7.966 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2c(C)nsc2Br)c1Br 2365179707 PMTXKRLXAINAKF-LLVKDONJSA-N 504.469 6.384 50 10 KKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)Cc1ccccc1Br 2377331877 LDMAHGLEKHDQNE-LBPRGKRZSA-N 572.904 6.613 50 10 KKGE O=C(NCCc1ccccc1)[C@@H](c1ccccc1F)N(C(=O)CCl)c1ccc(Br)cc1F 3034989 SBGQTGFJRMVUSX-HSZRJFAPSA-N 521.789 5.399 50 10 KKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14038767 SJFPJLHVGQCIAG-GOSISDBHSA-N 525.443 5.407 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)cc1 58894907 FCNGVPRSYLCUGF-KJTWNORHSA-N 525.045 5.989 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1 100074152 RALYQAKSTYQXKQ-AQTBWJFISA-N 506.468 5.547 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100188244 KLNNZCCOYMRKMV-UHFFFAOYSA-N 593.110 5.301 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101374519 PAENIRUTMTYOIA-JZVRGSIDSA-N 593.507 7.798 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379359 KDRDHSYBENLXDZ-DHYKOVJISA-N 595.095 7.633 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1 101386030 BEXHYAUIMUCLFR-GDLZYMKVSA-N 617.883 7.127 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388132 HNKXCRKQPHGDPZ-AIKJVNBHSA-N 613.497 7.808 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2cc1C 101390921 FDZFGKORGZUJDO-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(Br)c1 101767551 MLSOEISWEMPRIW-WKULSOCRSA-N 545.861 6.172 50 10 KKGE N#C/C(=C/c1cn(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c2ccccc12)c1nc2ccccc2[nH]1 102516476 GAITYCJDMPUFAN-HKWRFOASSA-N 570.575 6.076 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)sc2c1CCCC2 102846971 NXOKAXQZCHQXBK-ICFOKQHNSA-N 575.046 5.803 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccc(F)cc1Cl 103563438 XOYRNFWIJHHCTM-AABVJFSESA-N 596.442 6.502 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cccc(I)c1 103627415 GMRFNKJERYJUCX-ZMOGYAJESA-N 535.179 5.397 50 10 KKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 104768882 MSDQDAQZLPOUIP-ZCTHSVRISA-N 590.547 5.833 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1cccc2ccccc12 150621974 KLKFNPGVFCQAAO-MTJSOVHGSA-N 698.311 7.638 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 161124130 KQTPEZMYVBLTPE-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 163798721 RTMXRYDWSNWNRR-XZYGTATASA-N 782.376 7.913 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205648157 POMYJXGLCZYNRL-MRYVLCKJSA-N 506.602 6.386 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C2=O)cc1 214401559 FABAWLHZOQFGAO-LJUMEUDFSA-N 572.709 6.184 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 254493419 REFLNWNJDDFGFM-UHFFFAOYSA-N 559.761 5.723 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccc(C)cc2)cc1 254515481 FCIXCKHSRKDGHR-UHFFFAOYSA-N 507.619 5.652 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C)[C@H]2Br 256018986 DURBFBTURBNBLM-VEIIVLAUSA-N 566.378 6.743 50 10 KKGE CCCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019769 CWIWACROUMGRDD-VEXUSMLFSA-N 617.172 6.998 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)[C@H](O)[C@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575626903 ACJHNDYFTFXEOF-HLCALKKPSA-N 984.181 5.736 50 10 KKGE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)[C@@]21C 642773279 YHPXZUQZLHUBSP-HBHXJXKISA-N 908.876 10.633 50 10 KKGE C[C@@H](COC(=O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)O[Si](C)(C)C(C)(C)C 888086351 GBGSABGMRFQABY-PWUYWRBVSA-N 561.239 6.017 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1083976639 XTCCKBNHEIZXEG-UHFFFAOYSA-N 640.593 5.743 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)cc1 1084072834 XQAKZUMPQARDMS-VWLOTQADSA-N 559.888 6.353 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084096129 NHSNACWZTCURMZ-OVCLIPMQSA-N 526.634 8.078 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(C)cc(C)c2)cc1OC 1084294805 WOTALIFSDHYELL-UHFFFAOYSA-N 602.757 5.691 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c2cccc(C(F)(F)F)c2)cc1 1084429576 AGZYNFOEYPSKEE-UHFFFAOYSA-N 605.635 5.080 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 1084563388 MJLLJRXLGVCWLB-UHFFFAOYSA-N 579.520 5.587 50 10 KKGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 1084599802 JJOHSVAWRQTFEF-UHFFFAOYSA-N 546.874 5.504 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(C)c1 1084618025 GUFCZEAPVHVVIO-YBFXNURJSA-N 607.275 7.430 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746209 CYHMUVWKNZFZDZ-UHFFFAOYSA-N 532.644 5.688 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746900 ILRIJNIBMROONF-UHFFFAOYSA-N 550.615 5.738 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(CCC)cc2Br)cc1OC 1772755926 IXCYDOCXWKHJHZ-UHFFFAOYSA-N 505.453 5.898 50 10 KKGE C[C@@H](N=[N+]=[N-])[C@H]1O[C@@H](Cl)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1848435226 KAPPXTKBLHJLHL-SAWSSABUSA-N 508.018 6.405 50 10 KKGE COC(=O)[C@@H]1C[C@@H](C)[C@H](C)[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857741813 IAQGGZUSUWICMM-UMDHIVLISA-N 505.699 6.091 50 10 KKGE CC(C)(C)[Si](C)(C)OCCC[C@H](Cl)[C@H](O)C[C@H](O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1857787948 ILRYZFNKUNXGJL-JJZPZGAKSA-N 593.397 6.865 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688905 DTMRBUJIJHVGST-XMMPIXPASA-N 557.448 5.910 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689634 UYMZDYOISIUTPG-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865690293 NNOGVONULAKNOI-MHZLTWQESA-N 506.606 6.335 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865692741 HUEJUGSTKFUVHD-RUZDIDTESA-N 508.578 5.563 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865693318 NBHLIRZXRVJTHQ-XMMPIXPASA-N 547.442 6.531 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865693648 LIXKKIXCESEZPD-NDEPHWFRSA-N 510.569 5.575 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865694233 RKDZYQTTWNVOBT-XMMPIXPASA-N 500.961 6.008 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695283 NDDWQZOBKLWQOK-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695285 NDDWQZOBKLWQOK-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1O 1865696136 KFFBYBQZNOHDEM-JOCHJYFZSA-N 533.813 5.938 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc(Br)c1OC(C)C 1865696977 MHHPIHUWHGRRJC-QHCPKHFHSA-N 523.431 5.325 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865704327 SNARHQFBIWCIAW-MHZLTWQESA-N 541.051 6.665 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704340 TUKZNVUNKNNVBN-RUZDIDTESA-N 548.430 5.942 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704804 FDROFBDGSQKZII-RUZDIDTESA-N 512.997 6.207 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCC(=O)N(CC)CC 1865707375 VMWMTTLQIUONCQ-SSEXGKCCSA-N 565.674 5.452 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709234 RMJKTVMPCABQDY-AREMUKBSSA-N 514.541 5.617 50 10 KKGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2)CC1 1866900690 FCTNAKDPOFQPFS-HHHXNRCGSA-N 555.704 5.064 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867134234 MGPCGRWZHLTMQA-FQLXRVMXSA-N 584.539 6.910 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867194251 QKTXBNJZNHLMJN-MHZLTWQESA-N 574.666 5.532 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5cccc(C)c5nc43)n2)cc1 1868320233 FWHYHTBGLBKPDG-UHFFFAOYSA-N 500.631 7.320 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1868387870 AVZIJZWHJWGYCA-HSZRJFAPSA-N 533.101 6.080 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1OC 1868413637 CTPAXRDOZXLCIK-OFVILXPXSA-N 574.106 6.833 50 10 KKGE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414919 QGIMXCHQMOELDG-UHFFFAOYSA-N 500.071 7.528 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccccc4)C(=O)C3)n2)cc1 1868545148 SNILIZAXEZMYPR-UHFFFAOYSA-N 534.689 6.611 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1OCc1cccc(C)c1 1872790443 IYHMAATYHXECFO-CIAFOILYSA-N 507.442 8.077 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)c(OCC)c1 1872793668 MIRIVXBZTKXQTL-OVCLIPMQSA-N 501.402 6.148 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872794006 FOAQAJKOQHHIMJ-UDWIEESQSA-N 507.442 8.077 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 1873941035 SVTPDKFBUZATIB-GEHZHUCRSA-N 509.587 5.986 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(C)nn2C)cc1Br 1877174799 IINZSVMOOZETQK-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE CCc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1877185386 DKXCKNXXPKFTIQ-ZETCQYMHSA-N 511.892 6.313 50 10 KKGE O=C(c1ccc(I)c(Cl)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311451 FRJOVIBKDBWURX-SFHVURJKSA-N 518.620 5.761 50 10 KKGE O=C(c1cccc(Br)c1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915757198 WCFHITQYFLTXFO-UHFFFAOYSA-N 516.071 6.172 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593265 DAWIADUSJWZYBT-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)sc1Br 1925572111 YCNQHVUFDHPNOY-YFKPBYRVSA-N 564.771 7.888 50 10 KKGE CC[C@H](O[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933247613 QJHWBZLGSFIVFC-KRCBVYEFSA-N 651.239 9.741 50 10 KKGE CO[C@H](CCCC[C@@H]1CCSS1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952232079 WZCWLBNSKUQGHD-VEYWIMSWSA-N 501.670 5.707 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2scc(Br)c2Br)c1C 2024024841 YCRRWDFBZNFSKY-SECBINFHSA-N 523.935 7.198 50 10 KKGE Clc1cc(I)c(OC[C@@H](CBr)C2CCC2)c(I)c1 2029292207 WVSZNKDZCNJSFX-SECBINFHSA-N 555.419 5.739 50 10 KKGE COc1sc([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 2034628499 FXTHEMNORRCUOY-NSHDSACASA-N 522.427 6.215 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2nscc2Br)c1Br 2081054284 HWBOCBVHXMOHCZ-NSHDSACASA-N 518.894 6.532 50 10 KKGE BrCc1cc(OCc2c(Br)cccc2Br)ccc1Br 2094090265 FTNXETPWQNJMCE-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE O=S1(=O)CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472031 ZBSBLXKNRZYLLV-MLUIRONXSA-N 604.778 5.607 50 10 KKGE COc1ccsc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477378 PJRXXEZLAOFENE-LLVKDONJSA-N 554.323 7.135 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1c(Br)cccc1Br 2150487057 FZGVEMSZPRTBOT-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206406188 WKZAAQBUGMIFFT-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CCBr 2207273053 RAWAUJZWYUSWMG-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccccc2Br)c(Cl)c1Cl 2224305420 SABREUGLKBAFMR-LLVKDONJSA-N 508.262 7.656 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)oc1Br 2227346917 GKMOQZZBPXZZOK-ZDUSSCGKSA-N 515.865 6.977 50 10 KKGE Cc1c(F)ccc([C@@H](Br)c2cc(I)ccc2Br)c1F 2231078561 HQHUFJXCTCCOPY-CYBMUJFWSA-N 501.934 6.125 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Cl 2232528010 QLVFWGWTUWQDBS-AWEZNQCLSA-N 546.322 7.729 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2241001529 PFOFAUXEJXMQKQ-LBPRGKRZSA-N 702.642 8.134 50 10 KKGE C[C@@](CI)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250382792 GAEHPTDPRDSODB-PXNSSMCTSA-N 500.218 5.390 50 10 KKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sc1Br 2263450938 RVQYXVKMUMHKIV-NSHDSACASA-N 517.906 7.023 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Cl)c2Br)c(Br)c1Cl 2283547388 PTKVMJPHTRPONF-NSHDSACASA-N 503.843 7.011 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Cl 2283569313 YILOAMPYJAQGRX-NSHDSACASA-N 556.797 7.123 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Br)cc1 2294619923 MSSBKUNXEDWBLI-UHFFFAOYSA-N 570.281 6.962 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Br)cc1 2294619956 RPKAHNZONFTGSJ-UHFFFAOYSA-N 568.092 8.170 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1 2313518420 BRJMVEBASRQSIO-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521571 XHAIASOAGYSGBB-UHFFFAOYSA-N 550.409 6.498 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1C#N 2313570600 AUMIIHPREGDTSJ-UHFFFAOYSA-N 571.258 7.151 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571380 UXKNOPAVAMWWDS-UHFFFAOYSA-N 675.091 7.327 50 10 KKGE CCc1nc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2314499676 FPTFNPUSFTZLGC-QGZVFWFLSA-N 546.122 7.294 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3Cl)nc12 2314531689 CREXZYPCLZSUSF-UHFFFAOYSA-N 524.886 6.013 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593005 FSDNPWHYYARIMZ-NDEPHWFRSA-N 525.674 5.780 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634834 RUNPPXGYZCNRDH-MHZLTWQESA-N 521.400 6.619 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331256096 VAMLMQDUCJFBAK-IBGZPJMESA-N 508.043 6.660 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 2331371669 AXLMORIZVCGOHP-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCCN1CCOCC1 2331489728 AWTAMGALRTVDEP-UHFFFAOYSA-N 512.031 5.256 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCC[C@@H]2C[C@H]12 2333303694 PWYQLRNXTFGOOT-JPHADGFYSA-N 536.327 7.453 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1F 2336041364 NJYHHRAYLHAOCR-HXUWFJFHSA-N 502.580 7.444 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1Br 2362223494 JRKAPPPGSCZCKX-NSHDSACASA-N 525.890 7.773 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccc(I)cc2)c1Br 2365184075 NMEZPTWOCFKXGU-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE C[C@@](CBr)(OCc1cc(I)ccc1Br)c1ccccc1 2367601548 KTANRNIXTQIOHM-INIZCTEOSA-N 510.007 5.881 50 10 KKGE Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1C#N 20294809 AGEAIBIHGBNUCN-SFQUDFHCSA-N 518.982 5.048 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 32519919 KSDKUHGQIQBDNX-PPDIBHTLSA-N 515.422 5.700 50 10 KKGE N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33391215 XFURHNRTLSMCCC-ACAGNQJTSA-N 504.192 7.050 50 10 KKGE O=C(c1cc(Cl)sc1Cl)N(/N=C/c1ccco1)c1nc2ccc(Br)cc2s1 35565423 YTWRGZGIWXGSKO-ODCIPOBUSA-N 501.214 6.701 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38688583 FDUKUJQSGJXDCR-MUUNZHRXSA-N 506.558 6.306 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 58894261 PFCUSDPCZMYGFY-TZMKENEKSA-N 511.018 5.680 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212151 XLLTXJUWGWZFLM-UHFFFAOYSA-N 538.442 5.130 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243420 DKZXUIGSESDDDS-PDLXOCGWSA-N 598.090 7.786 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246442 FMHIJAYIAGQESL-DBTLDAOKSA-N 518.038 5.976 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341347 DPBYXMSJXCFHDT-YZSQISJMSA-N 587.076 5.917 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373870 ISVKTXFSFREYCW-GDLZYMKVSA-N 583.468 6.774 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381834 FENICHLGZCLHEQ-KCEHZKJRSA-N 546.623 6.419 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1 101386147 CEBLGNRGNWXTMG-MHZLTWQESA-N 545.016 6.426 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)oc2ccc(Br)cc12 101391608 GISXOUWGVIQWQT-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1OC 101392660 QCQOMNAKINIVGH-XMMPIXPASA-N 561.388 5.958 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc(OC)c1OC 101393441 JPMHAMOTYWUSMY-DEOSSOPVSA-N 563.031 6.326 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 102601970 WSPWODJXSPAFPT-ODLFYWEKSA-N 527.415 5.083 50 10 KKGE CCOc1c(Br)cc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102933157 RNUXLCQYLUPLKA-WZUFQYTHSA-N 529.572 5.718 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(Cl)cc1 102935042 QANVFLJWGXDEQF-PXNMLYILSA-N 605.772 5.692 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 103816768 GCTAYPUDFPCPKN-SFQUDFHCSA-N 528.244 7.197 50 10 KKGE O=C(Nc1nccs1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 103943974 LUSXHSCTVOYLET-BYYHNAKLSA-N 549.592 5.895 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461511 WQTUEPGRHINSOQ-WJOKGBTCSA-N 627.480 8.073 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccc(Br)cc4)s3)o2)cc1 150480811 FMIPETTZDXNLNJ-XIEYBQDHSA-N 638.543 8.634 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 164640532 APDYDZRGSWONQY-RQRWGXNHSA-N 712.269 9.627 50 10 KKGE c1ccc(P(c2ccccc2)[C@@H]2OB(c3ccc(B4Oc5ccc6ccccc6c5[C@H](P(c5ccccc5)c5ccccc5)O4)cc3)Oc3ccc4ccccc4c32)cc1 195810598 OAXQPHMXXTVZLV-XWQGWOARSA-N 810.444 9.865 50 10 KKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 210033883 LOMPUGXDUQXPNP-MOHJPFBDSA-N 522.605 5.221 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 214317438 OGUBYLSTLYQMDP-VEILYXNESA-N 532.600 6.104 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 252597233 CQFNCAZAPDYPHI-UHFFFAOYSA-N 518.198 6.025 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 254590463 VWNBIRAZVMOXAB-UHFFFAOYSA-N 573.671 5.019 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)=C\c1ccccc1 254626687 AKQIQWSAQZDFJQ-CLVCPOKHSA-N 502.043 6.194 50 10 KKGE CCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 300470682 JRBMLKIZNSTNBL-XXILOJSOSA-N 618.418 5.054 50 10 KKGE CC[C@]1(C)[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 310663680 XQRSPMRUWHRKOO-GMXVVIOVSA-N 510.968 5.724 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(I)cc2c1OCC2 379938865 BJKBEJILCFROBP-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE Brc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)sc1Br 381884276 BHOOLMLMTUFGPY-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ncc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575119009 SCAQOUPRHPDRDK-LLSHUCONSA-N 988.212 11.054 50 10 KKGE CC(C)(c1cc(Br)c(OCCC(Br)Br)c(Br)c1)c1cc(Br)c(OC[C@@H](Br)CBr)c(Br)c1 606228184 LGZUGAYBUZLCCV-ZDUSSCGKSA-N 943.621 10.485 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591391 YXADDVIQROVGOJ-CCSDVLNMSA-N 630.892 6.196 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616594627 OGTWGXSDMPYJSM-MUUNZHRXSA-N 507.772 7.134 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccccc3c2c1 642814374 XKEMQJBDCSICRN-UHFFFAOYSA-N 533.567 8.323 50 10 KKGE O=C(NC1(CCBr)CCCCC1)c1cc(I)ccc1Br 687327628 MHTMPVWTXMMEOR-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE Brc1csc([C@H](Br)c2ccc(Br)c3ccccc23)c1Br 705464361 OBXSEZXLXNWRST-CYBMUJFWSA-N 539.912 7.673 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)CCCCCC(=O)Oc1cc(C)c2c(c1)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 725237784 QLSYJKBJUYGQTE-ZUEZSQJISA-N 827.244 14.626 50 10 KKGE CCCCCCCCCCCCNC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238833 XYMDHCFEBMSDMK-VWLOTQADSA-N 545.111 8.117 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl 725440997 WHMIZRXRCNHUEG-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1Cl 1083911823 NJZBFPFWWRZYNL-HHHXNRCGSA-N 585.926 6.773 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C#N 1083938457 QJYAEYOEPPGBQZ-VXLYETTFSA-N 526.807 7.042 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C)c1C)S(=O)(=O)c1ccccc1 1084014778 HWYHHGDDEREOMR-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)cc2)cc1 1084066287 ROHLEKYOZOMKDV-VWLOTQADSA-N 558.416 5.233 50 10 KKGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084120531 KTTHOEYNIWNNSS-UHFFFAOYSA-N 539.963 5.103 50 10 KKGE COc1cc(C=NNC(=O)CNc2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084232492 PQZFOQBCKVTSLD-UHFFFAOYSA-N 581.250 5.634 50 10 KKGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1C#N 1084409015 UUWANESLBAPDQV-UHFFFAOYSA-N 669.303 5.436 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 1084427071 KCCPSVMJJPEOPO-QFIPXVFZSA-N 684.268 5.137 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084428086 VAXFVSUNMSEKPQ-UHFFFAOYSA-N 541.583 5.456 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084491721 AAVNTVUQKSSISX-UHFFFAOYSA-N 531.609 5.059 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 1084549644 XVMQPCJIPPJTBM-UHFFFAOYSA-N 508.625 7.220 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084608934 QGZOYBMKJPDZEM-ONNFQVAWSA-N 549.002 5.527 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)c2)C1 1554268782 JDHIFVYHWAXWEX-BQQWPYPHSA-N 557.720 5.125 50 10 KKGE CCOC(=O)Nc1ccc(NC(=O)N/N=C2\c3ccc(Cl)cc3C[C@@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1614983125 KUNZWNTVUACJGQ-NHPKWMKWSA-N 558.397 5.581 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748823 OJEUFQVLEINFLQ-UHFFFAOYSA-N 579.656 7.335 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccccc1 1772755559 MDPAUENCSRVYAU-UHFFFAOYSA-N 511.416 5.654 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682213 IYJPCRUPAIMVEP-MHZLTWQESA-N 502.549 6.117 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865682311 LSPTWRRPRZHBSC-LJQANCHMSA-N 521.370 6.773 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687346 PBLMQXDBPOPJQW-GDLZYMKVSA-N 520.633 5.998 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688682 YGBGKYVERHNTCL-HHHXNRCGSA-N 522.605 5.427 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689846 XPRGNSMIELADLV-AREMUKBSSA-N 520.976 6.278 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865690963 FZFNRZHZMJURLC-SANMLTNESA-N 523.593 5.349 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865691576 VWQWNCBZJDURNV-AREMUKBSSA-N 555.506 7.317 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865691894 DNDLMALARHKCBK-HSZRJFAPSA-N 571.903 6.646 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865694428 YEEMEUJHSCKFSC-MUUNZHRXSA-N 520.633 6.394 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702595 XOEZJLODYUJAPZ-AREMUKBSSA-N 567.418 6.821 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703976 JWLOBDHIJDJGMH-RUZDIDTESA-N 503.389 6.285 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704101 NFDXKPTYKCSTTB-VWLOTQADSA-N 506.562 5.140 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704200 PUZURKYGDLNQTM-AREMUKBSSA-N 565.888 7.251 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705283 QKLSVYOXSRWVOD-SANMLTNESA-N 506.562 5.271 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710906 LDPUTFUIZIDIJP-HSZRJFAPSA-N 502.496 5.844 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 1865897626 UXZUKIBOPAAYOX-OAHLLOKOSA-N 565.265 6.719 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866657450 ACHQWHYRVXDNMK-RUZDIDTESA-N 500.555 5.401 50 10 KKGE CC(C)[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866754551 IJWQXXZCISXUNB-IZZNHLLZSA-N 506.071 6.409 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007909 PPHYAZIOFMNBAH-VSGBNLITSA-N 564.176 7.244 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)c2ccccc2)cc1 1867194680 FQGSNADIBLWKCQ-GDLZYMKVSA-N 544.640 5.957 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867208468 BOXLLPZKKOSZKC-AVRWGWEMSA-N 508.043 5.977 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)nc(Cc3ccccc3)n2)cc1 1868207401 MHWLPFMAWWXYCE-RUZDIDTESA-N 514.054 6.615 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@@H]3C2)n1 1868231543 KATOKAZNEXGAGE-QHCPKHFHSA-N 533.101 6.251 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H](c2ccc(F)cc2)O1 1868544495 HAMBYAWEWXWLLC-RBTNQOKQSA-N 553.707 7.863 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)cc1Br 1872728821 VYPDBHKDKWFNGY-LTGZKZEYSA-N 502.449 7.801 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 1872758289 UBUYOGXLSNEYJJ-UZYVYHOESA-N 514.390 5.699 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCCCc1ccccc1 1872782893 VXKLGKZIDKOUEE-MTDXEUNCSA-N 506.671 7.773 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915115950 PESHICIKRRDBQH-OAHLLOKOSA-N 551.060 5.870 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915258942 FAMIOLSEFXEUEF-GOSISDBHSA-N 507.188 6.530 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923065717 GQMVVJQMMPLGJE-MRVPVSSYSA-N 515.826 7.295 50 10 KKGE FC(F)Oc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923073060 UMJBXUOWVNUYOK-MRVPVSSYSA-N 511.407 7.012 50 10 KKGE CC[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924611618 CWBGCNOVPUOUDR-JGVFFNPUSA-N 525.970 7.934 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@]23CCC[C@H]2C3)c1Br 2010968498 PDUVSGAZVDXFBL-KJNMHVQDSA-N 507.911 7.052 50 10 KKGE CCc1nc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2050331024 JUMQSJCEQGAMCH-RXMQYKEDSA-N 514.917 7.083 50 10 KKGE CN([C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080746115 AEPFTTAAOMKDCM-KGAOLOCMSA-N 621.627 7.966 50 10 KKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)c(C)cc1Br 2142288567 SXVRDNGIRVDXMN-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE Clc1cc(Cl)c(OCc2ccc(Br)cc2Br)c(CBr)c1 2148685196 LZCIODSHGCORAO-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2198737374 ONIOQWKHPJXUFA-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Cl)ccc2I)c1Br 2201079052 QFAKFVDSGTWNDP-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1I 2201620049 XECLTVWHIFOSPM-NSHDSACASA-N 536.379 6.778 50 10 KKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399291 FLPMHIRULSZTLI-LDWIPMOCSA-N 618.805 5.997 50 10 KKGE Clc1cccc(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404581 BBQRPSCVDMPGEX-LLVKDONJSA-N 566.740 7.913 50 10 KKGE CCC1CCC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206406365 YQQPWANVVPYTAH-WDQARJOWSA-N 552.370 8.233 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Br)c1F 2225635174 UDXZOYZSXITLKS-LBPRGKRZSA-N 519.803 6.737 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 2235609036 MJQCHQXVUMQRPB-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE COc1ccc(Br)c(CBr)c1OCc1ccc(I)cc1 2236042774 YMZQETYQDUPOQX-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE Cc1sc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1C 2237630656 YQSGGFCTULVVAT-VIFPVBQESA-N 513.036 7.455 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)cc1I 2256335233 GIPJYAVIORVQIA-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE Fc1cc(C[C@@H](Br)c2cc(I)ccc2Br)ccc1Cl 2277908802 DNUSFKQKUDKDCB-GFCCVEGCSA-N 518.389 6.525 50 10 KKGE CN(Cc1cccc(I)c1)c1c(CBr)ccc(Br)c1Cl 2280257044 JUMPTYUFLYIOOR-UHFFFAOYSA-N 529.441 6.238 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)ccc1Cl 2288344496 KFWNEAJLPREZQQ-NSHDSACASA-N 554.248 7.390 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 2293198225 LGJQQSYKEZBXKG-XMMPIXPASA-N 522.457 6.675 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198480 YPGNSALMTXCFIU-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2295869844 KUNHRKDRVRHOSK-UHFFFAOYSA-N 547.976 6.959 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 2297321530 VIGLOYRNZAVXOY-UHFFFAOYSA-N 659.438 6.438 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2c(Cl)cccc2Cl)C(=O)N1c1ccccc1C 2297467140 IYXXGPXTFAKYEG-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE Cl[C@@H](c1ccc(I)cc1)c1cc(Br)ccc1OCc1ccccc1 2299497717 RXASPGRWJGTGAW-FQEVSTJZSA-N 513.600 6.961 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1sc(Cl)cc1I 2301081100 LESCATLVMDNBPN-QMMMGPOBSA-N 510.420 5.295 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 2313567005 ARVRNCCTCFWWAG-UHFFFAOYSA-N 541.445 7.434 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448010 DGGVAZXODBUIRG-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591798 FDBLTGOPVDJNIO-VWLOTQADSA-N 552.483 6.629 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1Cl 2314609981 BGJQACDCDGBQQN-UHFFFAOYSA-N 529.040 6.374 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314610192 DSXJEUAJVKLAAB-JOCHJYFZSA-N 522.649 6.417 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 2314616451 AUQMADLZGLLGRX-UHFFFAOYSA-N 534.660 6.643 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314617528 ZZDZEFHOEOLWML-UHFFFAOYSA-N 549.030 6.036 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314618953 XIIAZGAOFJZQPK-UHFFFAOYSA-N 601.062 7.157 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 2314634353 HNNJKYSCGZCYQQ-GDLZYMKVSA-N 540.616 5.847 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643339 SPIBIUJMZBCGMK-PGUFJCEWSA-N 655.578 8.715 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 2314720078 DCXPEEHUWMFHJD-UHFFFAOYSA-N 501.922 5.812 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)ccc1C 2314760613 QDMSKTJYJATBQP-UHFFFAOYSA-N 502.567 5.283 50 10 KKGE COc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331030077 PTTPGCWHEXTRPL-UHFFFAOYSA-N 512.780 6.947 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)cc2C1=O 2331402829 VYVNGMXNSIMQHM-UHFFFAOYSA-N 503.580 5.018 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2364237106 SWRBJRJJESMOHW-ZETCQYMHSA-N 602.691 6.233 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)c1 2365187280 YSWGRJFQYPKYOR-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE FC1(F)C[C@@](CBr)(Cc2ccc(I)c(Br)c2)C12CCC2 2377336317 AJMHCPXUEYKXDT-CYBMUJFWSA-N 519.993 6.187 50 10 KKGE Cc1ccccc1[C@H](CI)OCc1ccc(I)c(Br)c1 2377611169 HVEWJIGTXOYFIK-INIZCTEOSA-N 557.007 6.055 50 10 KKGE Clc1cccc([C@H](CBr)OCc2ccc(I)c(Br)c2)c1 2377611208 IHCRVXOFGDENMD-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)sc1Br 2380947735 UXQGIEOCFHUUJV-CQSZACIVSA-N 545.960 7.952 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2381264176 BGCWYRVIJZBCRP-LBPRGKRZSA-N 501.871 7.506 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 1790519 VAHIQGXNWQZIRI-ABPPERTMSA-N 556.902 6.432 50 10 KKGE CC(=O)c1c(C)nc(SSc2nc(C)c(C(C)=O)c(-c3ccccc3)c2C#N)c(C#N)c1-c1ccccc1 33353076 LILSKYMGBCRWIE-UHFFFAOYSA-N 534.666 7.375 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C(C)(C)C)C3)cc1 33596170 WQMFRABIWBEDOV-LDETYFQJSA-N 508.684 6.800 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 38685278 KSZVWTJHCGBEMV-LJAQVGFWSA-N 510.634 6.990 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)CC1 38700968 NNBJQYFNIGJTSE-SWFUTCNKSA-N 532.681 6.850 50 10 KKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816330 JYVBAFQQVQDRMM-TWKHWXDSSA-N 514.409 5.103 50 10 KKGE O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cc2ccccc2cc1O 59165249 CNLABWVCQQDKMS-GNVQSUKOSA-N 514.379 5.031 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100108604 DQBJVORETXRNIH-UVTDQMKNSA-N 509.341 5.872 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12 100224667 UOPXKJKCNAPMAR-LSPBCGFTSA-N 534.656 7.009 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@@H]2Br 100848613 UGHMDNWDHHKOQZ-RLCCDNCMSA-N 558.934 6.073 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241356 MRQRXSGMYYJYQC-NNHPPCHPSA-N 536.484 6.353 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245734 GHRPLILJUHNLNU-DBJYNHDPSA-N 511.647 6.076 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101378985 IPGBYHWFZKLATL-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383939 OEEVPIWIBCUWCF-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101393229 XHVMROUKKUHNQN-WJOKGBTCSA-N 566.654 7.319 50 10 KKGE CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 101490797 FKHUMSQTMBYVSF-UHFFFAOYSA-N 540.580 5.216 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599179 LXSDYJMDRYCTHS-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Br)cc1 101726968 FYYHVYLZDZLSGF-CCVNUDIWSA-N 568.518 6.403 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741638 FSILSWCGKGEONO-FNBPXTNNSA-N 583.305 6.277 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 103797161 NMDGPEJNZUEQJT-KVSWJAHQSA-N 592.671 6.963 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 103887871 NNYWKWQBMFBRCH-GRSHGNNSSA-N 569.355 5.641 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)cc1 150410934 CNLLVQWQMYRMKU-ZOUCTGKASA-N 632.742 5.390 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433602 OUSXVQZBWDHHOL-SSEXGKCCSA-N 632.456 7.317 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1 150484198 JMYLGNHIBBVMQD-RUZDIDTESA-N 658.963 6.826 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 161113089 UVAMLWYZFKDPAF-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 214385490 RQWLBOAAXWRXPK-QFEZKATASA-N 576.584 5.598 50 10 KKGE Nc1ccc(Oc2ccc(Oc3ccc(N)cc3)c([P@@]3(=O)Oc4ccccc4-c4ccccc43)c2)cc1 219127046 GVODIMVJNQEQMO-QNGWXLTQSA-N 506.498 6.724 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1Cl 234992629 JYVIDBZHGKDRHN-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 235823446 HRLFUVQFQANNGP-CQSZACIVSA-N 532.295 7.373 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254479224 BLQIPCLNGPOGRX-UHFFFAOYSA-N 510.590 6.075 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254488427 FVEOLOZJLYRRFM-UHFFFAOYSA-N 575.691 5.206 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254904381 CNACFXLKQVPEDN-UHFFFAOYSA-N 534.587 6.666 50 10 KKGE CCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 300470681 JRBMLKIZNSTNBL-GGZOMVNGSA-N 618.418 5.054 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)oc2C)cc1Br 396446696 AKRHFWMJZVYNRJ-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCC(=O)OCc1ccccc1)[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504264656 XRPFCOIIXPPJCL-ZKGCFCFKSA-N 745.166 10.578 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCN1c2ccccc2NC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616585721 NIVOFILWGWIHME-HHHXNRCGSA-N 512.887 8.203 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1083943375 RSIMEWPKWNYBDJ-UHFFFAOYSA-N 537.366 5.635 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)NN=Cc3ccc(OCc4ccc(F)cc4Cl)c(OC)c3)cc2)cc1 1083943497 VGPSIGSVUJSDQV-UHFFFAOYSA-N 576.024 6.020 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2ccccc2c1 1083944123 LKFFYNWTRALLBD-SSEXGKCCSA-N 522.645 6.510 50 10 KKGE O=C(NN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1083975759 UTSIBPAXHKVLSH-UHFFFAOYSA-N 504.679 6.014 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084012775 GMFVPWYTNICYLZ-JOCHJYFZSA-N 531.834 5.654 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084153289 JHDPIBHIGZCASO-XMMPIXPASA-N 586.439 5.308 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 1084192459 QEBFODJFLDQRMB-XMMPIXPASA-N 545.861 6.044 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Cl)c1Cl 1084371309 UFGBEDKZQDKPJV-UHFFFAOYSA-N 510.450 5.602 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084446417 VTKDUQKVSYUSJM-OAQYLSRUSA-N 561.111 5.940 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084503370 JEXXBDZGRHURLM-VIZOYTHASA-N 601.111 8.196 50 10 KKGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1084557420 MVVPKSSIDRHOCU-UHFFFAOYSA-N 541.254 5.102 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Br)cc1 1565517595 PVFAQTUDIMDTDE-UHFFFAOYSA-N 640.531 6.828 50 10 KKGE CC(=O)N(C(=O)N/N=C1\c2ccc(Cl)cc2C[C@@H]1NC(=O)c1ccc(F)cc1Cl)c1ccc(OC(F)(F)F)cc1 1614330624 JFVIOLRWLCOGLV-WYXKJYECSA-N 597.352 5.853 50 10 KKGE Clc1ccc(Oc2cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccc2Cl)nc1 1615217117 WZKYYBAJCZHPEC-UHFFFAOYSA-N 515.400 7.675 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1Cl 1772744343 VZWDOICLYYRZCT-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(Br)c6cccnc56)c(C)c43)coc2c1C 1772751734 LBQFIUJQVCAGRZ-UHFFFAOYSA-N 600.469 6.880 50 10 KKGE CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1857792175 RJGJTFMRBABKDS-VZZHGAMSSA-N 859.937 5.830 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683839 JFYHEFQFIGOYNF-QHCPKHFHSA-N 513.395 5.837 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865687076 JAMOULGJZQAXHW-DEOSSOPVSA-N 550.512 5.895 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865688085 IVSIUSKSYVMEJU-OAQYLSRUSA-N 510.903 5.984 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689712 CTUOFGXFMRAEQC-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 1865690044 ZORJXJLFBHSWIT-AREMUKBSSA-N 567.860 6.947 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695635 FJXPYDXXJKZTHR-OAQYLSRUSA-N 567.395 6.994 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697377 QVKBHQWOQOZWJV-LJAQVGFWSA-N 555.078 6.717 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699634 YVLGZYQVUMCMRN-MUUNZHRXSA-N 515.617 5.934 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCc1ccccc1C 1865703408 VIFSNNGUSFATGR-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706706 CXQVIPHFCWEALD-HKBQPEDESA-N 525.656 6.833 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708222 QZBDQWKHPRSBJQ-HHHXNRCGSA-N 522.605 5.459 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715006 SQGCSMWKQMLZII-JOCHJYFZSA-N 517.904 5.223 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)c2ccccc2)cc1 1867132159 OSMZZMYKLODONK-IRPSRAIASA-N 527.596 6.556 50 10 KKGE CSCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134471 OENAELDPDHYYOH-JWQCQUIFSA-N 568.562 6.421 50 10 KKGE CC[C@H](CC(=O)N[C@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867137137 IJCFAAVBZUBHNZ-VOIUYBSRSA-N 518.477 5.838 50 10 KKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413873 DVMXAJLEOUAQHD-GOSISDBHSA-N 514.054 7.453 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)nc(-c3cccnc3)n2)cc1 1868564817 FNOQINCHWUHANA-PMERELPUSA-N 540.696 7.592 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 1872746689 TWHKVUWTHPUGFR-OMEIHDDLSA-N 508.397 5.917 50 10 KKGE O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915172750 QHNKIDAOPQTGFF-QGZVFWFLSA-N 552.126 5.576 50 10 KKGE O=C(c1cc(Br)ccc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915760215 MSOPATOOBFKUSK-UHFFFAOYSA-N 516.071 6.172 50 10 KKGE COc1cc(Cl)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923073605 YKCSYLSITFXVFA-SECBINFHSA-N 509.872 7.073 50 10 KKGE FC(F)(F)C([C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923073669 ZFOBRWFASQRALD-UWTATZPHSA-N 519.324 7.103 50 10 KKGE CC(C)(C)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782536 NLKPTDKAJMJDAD-QMMMGPOBSA-N 512.305 7.453 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012764 POHNLKHHAZMWED-ZWVQMNBASA-N 644.617 10.491 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1Br 2040326921 ULRMTMRDSXQOPQ-UAKXSSHOSA-N 525.882 5.133 50 10 KKGE Cc1cc(Br)c(CCl)c(-n2c(C)nc(I)c2I)c1 2053201910 FLLAJECVESGNEE-UHFFFAOYSA-N 551.391 5.200 50 10 KKGE COc1cc(OC)cc(P(c2cc(OC)cc(OC)c2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)c1 2060322109 HYRCRHGEJMSHIC-UHFFFAOYSA-N 574.613 7.158 50 10 KKGE CC(C)Oc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079245474 GAIGXJYGRFOUKG-UHFFFAOYSA-N 503.100 5.237 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Br)ccc1Cl 2166833720 VKADFEZLUKYBBW-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399269 FCPNJPLCPREECN-NSHDSACASA-N 615.154 8.013 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)s1 2224797087 SZBZKTOGABTQQQ-JTQLQIEISA-N 553.961 7.118 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Br)c1C 2229321277 BFRRXZVRKLDDLV-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(Br)ccc2I)c1 2232145712 GWWQDANBOSYPEL-CYBMUJFWSA-N 534.844 7.039 50 10 KKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2234069139 QUBNBOWPFONBGS-OAHLLOKOSA-N 511.689 6.526 50 10 KKGE COc1ccc([C@@H](Br)c2csc(I)c2)c(Br)c1Cl 2256325951 UPZRWKDEKLLJJY-JTQLQIEISA-N 522.427 6.262 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(C)cc1Br 2268278912 PLQJESXBOFRHRL-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(OCc2ccccc2)c1 2272856376 WFLTYRWIAWATSO-LJQANCHMSA-N 502.580 7.397 50 10 KKGE Cc1c(CBr)cccc1NC(=O)c1ccc(Br)cc1I 2283558994 MQIUYUBJXPODIY-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 2295937264 HHYPXGOVLGJNMS-UHFFFAOYSA-N 520.839 7.434 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCc1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2295948576 NTMUGDRRYNWZRE-HHHXNRCGSA-N 537.084 7.795 50 10 KKGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)c1nc2ccccc2s1 2296546356 VWJVENAYNKSQQJ-UHFFFAOYSA-N 525.637 6.575 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@H]1CCCO1 2296706109 YHTNTCUBDOPMCW-MUUNZHRXSA-N 522.580 5.460 50 10 KKGE C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)(CC1=NNC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 2297643336 VXLVRWWWBQOCCJ-OHZUUNIUSA-N 541.605 5.868 50 10 KKGE Clc1sc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299490427 YNMLPLGAYSXSNA-KRWDZBQOSA-N 507.074 7.834 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2314476649 SKFXSRKLLBECCA-UHFFFAOYSA-N 567.715 5.573 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314490073 XTAJBQRYSSVHBS-UHFFFAOYSA-N 545.370 6.701 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592084 LNWKQBQOEFXMCG-SANMLTNESA-N 550.511 7.490 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594093 YZEZTGUQOUJNTG-DEOSSOPVSA-N 506.027 5.799 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314619895 GVSZENFKFKDFEE-UHFFFAOYSA-N 629.091 7.703 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643311 PSPHAVRJUUFPLU-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 2314738147 JTTARHVVRXJQHO-UHFFFAOYSA-N 513.546 5.372 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2363276235 YGJGUZZBICZXQN-CYBMUJFWSA-N 545.960 7.667 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cc(C(F)(F)F)ccc3Cl)C3=C2C(=O)CC(C)(C)C3)s1 6284032 CJSOXHGLTLZNLQ-NRFANRHFSA-N 505.993 6.924 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1COc1cc(C)c(Cl)c(C)c1 20615808 HDBATZATINSNGZ-UVHMKAGCSA-N 501.808 6.071 50 10 KKGE O=C(Cc1cccc2ccccc12)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59148584 WAPXUQHLPHUJQC-ZXPTYKNPSA-N 516.370 5.351 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 100236450 LTEHQMDPMQKXHE-WRIMGEDOSA-N 541.442 5.399 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 100335542 PFDHGUYRAMGJER-VXLYETTFSA-N 522.355 5.799 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244150 DEWFBDJFUPVXER-HHTKWUNRSA-N 516.066 6.261 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101337703 LPNVIANPHBOIIM-UMBPSLTKSA-N 625.128 8.125 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C2=O)cc1 101339941 FPHHTEGJQKNVGB-UZWMFBFFSA-N 600.719 7.074 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380058 PSUNYPYTULCVSO-PMERELPUSA-N 557.433 6.939 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385682 DQCCFWLNCBLIIB-NDTAFNIQSA-N 595.051 6.773 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c1 101389608 UDJRRFLGZYKJHX-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101445329 YUZXUDSLNLAZOS-BWAHOGKJSA-N 572.086 6.882 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618878 SOBSGPVTIOHNLP-TWKHWXDSSA-N 564.383 5.464 50 10 KKGE CCCCCOc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103739176 FPEOYKJNRKXKMD-UXHLAJHPSA-N 567.427 6.075 50 10 KKGE O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2cc(Br)ccc2o1 103878130 FIDHJJAZQAFKJX-WCMJOSRZSA-N 522.402 7.115 50 10 KKGE O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 105633240 HVQHBKXOZBYJTK-MZJWZYIUSA-N 559.585 5.946 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(Br)sc1Br 128852140 JWWBMWLMSGODHU-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)c2)CC1 150448205 DCUDECCLHFRGJQ-MEFGMAGPSA-N 653.761 5.447 50 10 KKGE CCC[C@H](C)c1nc(N2CCCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 169678446 MHLKGEAWDUTUAR-FNZWTVRRSA-N 549.094 6.185 50 10 KKGE c1ccc(P(c2ccccc2)[C@H]2OB(c3ccc(B4Oc5ccc6ccccc6c5[C@@H](P(c5ccccc5)c5ccccc5)O4)cc3)Oc3ccc4ccccc4c32)cc1 195810603 OAXQPHMXXTVZLV-YWSWRHJRSA-N 810.444 9.865 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214334825 LBPRXVIDFOVPIH-BCDHINTGSA-N 528.612 6.210 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214340933 KCZRDQUBWKLNKP-WSOOWADESA-N 554.650 6.525 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C2=O)cc1 214394252 RPDZLYGQDQNFRP-ZXSNDDASSA-N 606.682 6.919 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)c(C)cc1Cl 235862223 XRPNSVUUMLKSLS-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE C[C@@]1(C(=O)NN=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)CC1(Br)Br 252625998 QTYDJQJIBMMOCY-INIZCTEOSA-N 525.024 5.512 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)ccc1C 253622518 NUMVLTTXMWDTRM-ZXFRHMGNSA-N 538.773 5.861 50 10 KKGE COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NN=Cc4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1 254404979 AWLYGXKMJFUCBH-UHSQPCAPSA-N 607.633 6.520 50 10 KKGE CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 254596311 TVQZCKBJHKEVAS-UHFFFAOYSA-N 546.215 5.593 50 10 KKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1c2c(nc3ccccc13)CCC2 254631322 JVWUKPHSXYWMLU-UHFFFAOYSA-N 517.507 5.966 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)OCC(=O)c1ccccc1)[C@H]2Br 256020027 SISMSKWECWEIMA-KKXDTOCCSA-N 523.059 5.098 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2Br)C1 382697068 BJNISYJFKZAKOC-PBHICJAKSA-N 534.619 5.890 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616683834 IUPRRECRRTYWFS-RUZDIDTESA-N 511.783 6.749 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3ccccc3I)c2O1 720052644 NVFZNDLSLUPMCI-PSLIRLAXSA-N 507.991 5.861 50 10 KKGE Cc1sc(C)c([C@@H](Br)c2ccc(I)c(Br)c2)c1C 722483410 IPVVOEZZPUMDRJ-AWEZNQCLSA-N 500.037 6.525 50 10 KKGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(Br)ccc1I 725037272 LKXPJYBOYQMJJC-CQSZACIVSA-N 515.027 5.127 50 10 KKGE CCC(=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(OC)c(OC)c1 725409013 OASMRDXJZKUDNE-UHFFFAOYSA-N 606.144 6.605 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 725436265 XCWMCDAQHGRYPL-RUZDIDTESA-N 529.008 5.819 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1083955224 OYJXBFFIECASDZ-RGVLZGJSSA-N 691.282 6.361 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 1083968515 DYUDAUAKPPDCEN-JOCHJYFZSA-N 536.253 6.299 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1083969325 SXWPRWQARXDOBY-YVLHZVERSA-N 519.292 6.732 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(Sc3nc(-c4ccc(F)cc4)cs3)c([N+](=O)[O-])c2)cc1 1084170656 KTZCLPUANHDGIO-VWLOTQADSA-N 580.663 6.371 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cccc(Oc2ccccc2)c1 1084181692 MYIZXRVXCCLFOM-UHFFFAOYSA-N 534.679 7.988 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084187600 ZEIOSLXKYQEHTE-FYJGNVAPSA-N 581.854 5.845 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)cc(Br)c3O)cc2)c1 1084285168 CVFJQHDXSYGYQV-UHFFFAOYSA-N 531.204 5.242 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1084372569 GESOSAWBQAEOIH-UHFFFAOYSA-N 652.987 8.375 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084414882 CLOODSCEEOQISZ-KGENOOAVSA-N 599.298 6.185 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc(Br)c1 1084494731 DHXIHRAOAJDCAD-UHFFFAOYSA-N 531.179 5.032 50 10 KKGE CC(=NNC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084506071 KHGUXHALPFLKDE-RZIGYZOXSA-N 522.501 7.452 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084629559 NDYBNTSKPUEEDW-UHFFFAOYSA-N 623.285 6.194 50 10 KKGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 1084654667 DUXCKONKUUPIFH-UHFFFAOYSA-N 615.495 5.075 50 10 KKGE COc1ccc(-c2cc(=NNC(=O)CCCNC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 1565518364 SDPRZQVXVVSTIM-UHFFFAOYSA-N 575.706 6.373 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434899 RGULCXDJBDOAKJ-MXJLBQEBSA-N 635.352 5.642 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865689560 SMRATNFQHXIODW-INIZCTEOSA-N 515.706 5.834 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698184 MPFQVNNEBRSFAM-NRFANRHFSA-N 543.849 5.865 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700923 HSOSJMGZFSGUBI-NDEPHWFRSA-N 541.051 6.261 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701123 MLWPVDHJPLZHNM-LJAQVGFWSA-N 555.078 6.570 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701489 WTPSBQVHMCQHHH-MHZLTWQESA-N 561.469 6.937 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865711425 YAUNPYCCNBJBBE-XMMPIXPASA-N 549.414 6.090 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)OCC(C)C)c1C 1866128993 WVZDPXMEWRJHRB-MHWRWJLKSA-N 519.417 5.354 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccccc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866718379 UCNUXPMZZROAGX-VSGBNLITSA-N 527.646 5.435 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041290 YRCYLXFVNPTIJI-YADHBBJMSA-N 557.539 6.314 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1916355137 QKPYEVDHZVSNGX-OAHLLOKOSA-N 509.160 5.520 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923073323 WHXFOBFOUOVHRB-LLVKDONJSA-N 501.509 7.708 50 10 KKGE Cl[C@H](c1ccc(I)cc1)c1c(Br)sc(Br)c1Br 1924585390 LBFZRQXDUGNSDW-SECBINFHSA-N 571.297 6.968 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1F 1924599477 ICXOGTQZVZVCDX-ZCFIWIBFSA-N 543.822 6.937 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)c1cccc2ccsc12 1924605080 MBVJRJCYVAVPPU-SNVBAGLBSA-N 501.490 7.579 50 10 KKGE O=C(C1CC1)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946434136 GKMHIVWUZXPEOH-SNVBAGLBSA-N 536.827 5.101 50 10 KKGE C[C@H]1[C@@H](C)[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025779986 NOBSCQVWDWVKFY-RUPFFVNYSA-N 554.740 7.075 50 10 KKGE O=C(NCCSSCCOC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21 2049389279 AGIVFCCLDSHUIE-UHFFFAOYSA-N 540.619 6.030 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F)Cc1ccccc1 2059290899 DYBOEYBKKTYTTM-UHFFFAOYSA-N 584.349 5.806 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2169669239 YZBMFGUJTOCMJZ-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 2201078243 MCQYJKWCCIZASZ-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Cc1oc(C)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206397123 FHUMEJYLBZTZTM-AWEZNQCLSA-N 594.761 7.739 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1C1CCCC1 2206398203 RZEMHACWSNKFCO-UTEYVOQOSA-N 550.354 7.843 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1OC 2207271034 FOIZLKQZVKJLBU-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1ccc(Br)cc1I 2218809905 ZYOPNVGIGQKMQQ-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(C)c(I)c2)s1 2233018369 DHVCDXKBLHJHCG-AWEZNQCLSA-N 530.063 6.444 50 10 KKGE CC[C@](C)(Cn1c(CCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2234069461 RQYZIYKOTRICBR-OAQYLSRUSA-N 513.705 6.601 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)c(C)c1Br 2235609136 MUVYCFXMUSEBKR-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cccc2I)c(Br)c1C 2255956755 GRPZQKOXZHQEIH-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)s1 2255967098 XQPUAWSLNJVSKK-LBPRGKRZSA-N 504.000 6.301 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OCC1CC(Br)C1 2268362143 ZUIHTBAKASLGBU-UHFFFAOYSA-N 552.421 6.307 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278104119 WTDYAPKZDMNMJD-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE CCOc1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)N3CCOCC3)c2-c2ccccc2)cc1 2294171888 HGKOQERFPPOGJQ-UHFFFAOYSA-N 503.602 5.976 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 2295165161 UCMVMZVVRBTWCW-UHFFFAOYSA-N 550.061 9.164 50 10 KKGE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S)NNC(=O)COc1ccc(Cl)cc1Cl 2297293624 JDUJNDUJAFNCOD-UHFFFAOYSA-N 579.314 5.118 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2297456597 KBSUIWRLYIZRAP-UHFFFAOYSA-N 524.827 6.955 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 2313510906 CNDSMNXMLFIZCG-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571568 ZHOLCOBXOMJBLP-UHFFFAOYSA-N 581.091 7.643 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630385 JCJYAESGEKHQEW-UHFFFAOYSA-N 518.436 6.386 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314592515 WBDAHXMQXZSXNI-MUUNZHRXSA-N 525.674 6.493 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314616627 FYJMAOOOPYBFBD-UHFFFAOYSA-N 640.743 8.106 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314619039 YTZCTIKXNPRAID-NRFANRHFSA-N 536.632 5.190 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634779 KRYZKQVTUZQOSA-GDLZYMKVSA-N 515.009 6.602 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(C)c2Br)cc1Br 2320497618 OAMYWHFGMJCGMD-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1scc(Br)c1C 2339683229 AWTDJHDBINAMBP-NSHDSACASA-N 535.896 7.276 50 10 KKGE Cc1ccccc1[C@H](CBr)OCc1cc(I)ccc1Br 2367602417 SDPGSXQBGJMCRJ-INIZCTEOSA-N 510.007 6.015 50 10 KKGE Clc1ccc(I)cc1COc1c(Cl)cc(CBr)cc1Cl 2380521225 DMFASPVOXIUZDN-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 3102944 ANDNKNMCCDAOIF-UVHMKAGCSA-N 502.195 6.862 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 29492121 FNKNGDZCAQPTKI-XLNRJJMWSA-N 535.007 5.536 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 38650933 DJQOPLBWNQPCNV-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 38660347 KLSZJJXRGDPVFA-HHHXNRCGSA-N 518.997 6.211 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 38686625 PQWYUPGFMUIWOB-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)o1 38688701 KYFKVUUMXMHCEY-JOCHJYFZSA-N 505.324 5.843 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38700790 WHVSBYWATLNUJR-MUUNZHRXSA-N 508.574 6.666 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2)c1ccccc1 40823297 QISIOJNHNOSFOX-AMVVHIIESA-N 507.406 5.244 50 10 KKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OCC 40869442 UMVPENHOGVUXIK-RPFVZBSZSA-N 503.982 6.829 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1 97915149 ADPDYZLZEZRQBP-LJAQVGFWSA-N 513.122 6.712 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2Cl)c1 100389695 NAUUAGMHNZFWFM-KBVAKVRCSA-N 562.851 6.698 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 100401326 JVTRVFPILNUSDJ-IMIUQWTHSA-N 614.554 7.887 50 10 KKGE N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(I)c1 100419362 TZSWNAUJYJWLAK-STZFKDTASA-N 580.403 5.758 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241099 BSMONNJYUJEHKD-NLTRVXJZSA-N 504.011 5.091 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243825 KNSDZINBJQCOPW-UVGSMNACSA-N 511.647 5.697 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101332538 OMKJVAPHWFIHBD-OGLMXYFKSA-N 549.030 6.384 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384721 ZCNLZZZCCDWZBQ-SANMLTNESA-N 533.367 6.603 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(C)cc1 101385436 OPJQGGBYIMOLML-XIFFEERXSA-N 597.067 6.747 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OCc1cccc2ccccc12 101701744 BOPBOJCXLFQDHV-XYGWBWBKSA-N 555.472 7.688 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 102262666 DTONBCPRDAMADL-NDENLUEZSA-N 531.395 7.310 50 10 KKGE Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103723132 PLCJCQIBNYSEBW-WMQZSVIDSA-N 549.331 5.784 50 10 KKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C)c(C)c1 103726523 JZCDSSZYJKKYAD-YLKCYHHESA-N 564.753 7.615 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cc(Br)ccc1O 103742263 DDRZCMUXHYWSIJ-LKNXVUQUSA-N 537.477 6.664 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Cc4cccc(C(F)(F)F)c4)c3C)sc3c2CCCC3)cc1 103870328 HHQKREYLLGKIQE-IZYHBKOJSA-N 592.687 7.307 50 10 KKGE O=c1[nH]c2cc(Br)c([C@H](Br)c3cc(Br)ccc3Br)cc2[nH]1 161100566 CCFUWZLMXKDARK-CYBMUJFWSA-N 539.847 5.628 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214322662 KAVPBWMFNDNGGR-GPMZVODXSA-N 536.632 5.408 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 214365212 KVCWZRFNQCREJJ-USHMODERSA-N 536.701 6.966 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2=O)cc1 214391901 LOKVMEZKKFQDSE-QRQIAZFYSA-N 514.585 5.649 50 10 KKGE Brc1cc([C@@H](Br)c2csc3c(Br)cccc23)c(Br)s1 232482927 ULEVAXXEBIDXDJ-LLVKDONJSA-N 545.941 7.735 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(I)ccc3Br)ccc2O1 235407095 MDLHIGGCHWNYJM-JDNHERCYSA-N 507.991 5.861 50 10 KKGE O=C(N1[C@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@@]1(Cl)c1cccnc1)N1[C@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@]1(Cl)c1cccnc1 256001327 SHJZHHTTXUUMMY-PJEHFJQTSA-N 849.278 8.989 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C 725237388 FUVKOFYYHKWFJK-CBLVEMQTSA-N 550.973 8.285 50 10 KKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 725424621 VDNMSQSXBGQYHZ-VWLOTQADSA-N 677.621 5.089 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)C(=O)O 888085925 JDNCCENFXJWTKB-NJVDBBQISA-N 562.908 7.425 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccccc2)sc2c1CCCC2 1083931059 YUCUSIIYXLEZIS-ZHZULCJRSA-N 521.038 6.582 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083958237 BDJGBJZQLWWYDX-UHFFFAOYSA-N 579.144 7.201 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1083993238 GNRVQDFHAJKZSZ-XMMPIXPASA-N 627.306 6.540 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1C 1084074448 WDACZIRSGLZLCO-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(I)cc1 1084109902 DFFFIJPPHYIVPB-PXLXIMEGSA-N 613.883 5.788 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 1084123417 BAERCRIHOKVBST-UHFFFAOYSA-N 507.373 6.720 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084191778 OBSUBTRYXDSGPM-RUZDIDTESA-N 556.015 5.589 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)Cc2ccccc2)cc1 1084193169 QVJKXYAZYRMUPQ-UHFFFAOYSA-N 636.572 5.156 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1084284999 ZHGKTGATQWZZNS-NDEPHWFRSA-N 547.051 6.443 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2C)cc1 1084324499 UYAZMWGBFSFAAX-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)c2cccc(Cl)c2C)cc1 1084450320 BQJVCMRCQJTVOA-UHFFFAOYSA-N 523.964 5.321 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3O)cc2)c2cccc3cccnc23)cc1 1084505274 RKSYQRHEHQNANI-UHFFFAOYSA-N 550.640 5.408 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1Cl 1084519805 FOCFWCSMFPSLNX-PXLXIMEGSA-N 522.432 5.837 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CSCc2ccccc2)cc1I 1084613233 VDFFCPIYXDNHNO-UHFFFAOYSA-N 541.414 5.125 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751700 JWZPQEWRWADAFX-UHFFFAOYSA-N 528.561 5.356 50 10 KKGE O=C(OC(c1ccccc1)c1ccccc1)C1=C(CI)CS[C@@H]2[C@H](/N=C/c3ccccc3)C(=O)N12 1848440294 WLJILNIIHIZJSJ-CCVCDZMCSA-N 594.474 5.411 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C)c1-c1ccc(Cl)cc1 1860746945 LXYXQHDOGKMDQG-UHFFFAOYSA-N 500.001 5.704 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687120 JTWGIMIIZLDLOE-AREMUKBSSA-N 521.061 6.333 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687840 BKGMNIMPSHGDPD-NRFANRHFSA-N 509.404 5.218 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690227 LYQFPPFGEAFHIW-LJAQVGFWSA-N 528.587 6.535 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865692776 PFXNVXDBVGATHW-HXUWFJFHSA-N 503.441 5.414 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865695130 KTKLBMKBTQSZDI-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708107 OHAOFKJBNMMCCO-SANMLTNESA-N 508.578 5.151 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1C 1866775760 PDNBCOAHBKYCLJ-LBNVMWSVSA-N 501.652 6.203 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)CC2 1868432946 CAJWCDRQZDYUQB-PMERELPUSA-N 572.134 7.891 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(Cl)cc2Cl)n1 1872754287 LGENXVGNXUTUDX-LGMDPLHJSA-N 502.206 7.304 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCCN1CCOCC1 1872792614 IHOMWZYRYKHTHY-BUVRLJJBSA-N 503.668 5.828 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)c(OC)cc1Cl 1872793772 RZZRVVMDDQPMES-CIAFOILYSA-N 503.023 7.432 50 10 KKGE CCC(CBr)(CBr)Cc1ccc(I)c(Br)c1 1904321093 GKJCUFLBEOOJQQ-UHFFFAOYSA-N 524.860 5.782 50 10 KKGE BrCC1(N(Cc2ccccc2)Cc2ccc(I)c(Br)c2)CCC1 1904337912 HUOXGNSVYNSOQV-UHFFFAOYSA-N 549.088 6.374 50 10 KKGE CC(C)(C)OC(=O)NCCCC[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1911599476 WSKYDBFZQQQLHU-MJPWBCPGSA-N 885.971 8.342 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@H]2OCC3)c1Br 1924615636 DRLKVEDMTATMJQ-IDALBHDPSA-N 537.937 6.821 50 10 KKGE COC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025779249 FCIWMZFLTAFXSU-JTQLQIEISA-N 556.712 6.352 50 10 KKGE Cc1c(Cl)cccc1NC(SCCOc1ccc(Br)cc1)=C(C#N)c1nc2ccccc2s1 2053623293 PTCICQMQPLIUCB-UHFFFAOYSA-N 556.938 8.137 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(F)cc1 2053623417 WZUVNFFIUYZPKZ-UHFFFAOYSA-N 596.318 6.582 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1scc(Br)c1Br 2082381650 GONFNADMUZOWBO-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2scc(Br)c2Br)c1Br 2083322809 VADMWZHIHTVTEF-JTQLQIEISA-N 582.775 7.591 50 10 KKGE F[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085493374 BABSLDSNKJEDCW-JGVFFNPUSA-N 542.184 6.917 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 2107099540 VYCRLTPLEOFIMI-JTQLQIEISA-N 509.872 7.026 50 10 KKGE CCn1cnc(Oc2c(I)cc(Cl)cc2I)c1CCl 2118713995 XALQITAZNAKUJL-UHFFFAOYSA-N 522.939 5.297 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)oc2C)c1Br 2136384917 VRDHPQHYDHCLII-CQSZACIVSA-N 515.865 6.977 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141470369 GOBRHZWDYMSJBX-QWHCGFSZSA-N 540.315 6.976 50 10 KKGE CC1CCC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141472039 ZECQMPVBIOAIKG-TYAJBCFHSA-N 582.794 7.999 50 10 KKGE Cc1cc(C(=O)CCl)c(C)n1-c1cc(Br)c(I)c(Br)c1 2151785735 YONWJOMAORNDLB-UHFFFAOYSA-N 531.413 5.645 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC3(CCCCC3)CO2)c1Br 2166267668 QYPSSEJXVKBQMR-WPRPVWTQSA-N 551.964 7.211 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Cl)c2cc(Br)sc2Br)c1 2172413387 WTGXHAXGOQEPLH-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Cn1nc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)n1 2214372754 KIMGORZQZQWLQI-VKHMYHEASA-N 529.277 5.302 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2225632334 BLZDULKVARPODU-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE CC1(C)CCN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2231336688 JLVXVZCAIGASCR-UHFFFAOYSA-N 500.706 6.488 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2234060722 YBKDLFGDBHTOGH-HUUCEWRRSA-N 513.705 6.772 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)cc(C)c(Br)c2C)ccc1I 2235614792 LMSDIJQGAZCATR-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Cl)c(Br)c1Cl 2268254504 BAABNOGGFMMGIK-VIFPVBQESA-N 509.872 7.073 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(Br)c1Cl 2283552767 ITFMHYRIWSUTGJ-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 2294193456 RBXQMPNCPRUKKV-UHFFFAOYSA-N 574.478 8.128 50 10 KKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2295956202 AWJMNLOOUQZTAL-UHFFFAOYSA-N 510.457 7.286 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 2296544520 VBGHJGASUGZEAN-UHFFFAOYSA-N 550.434 5.513 50 10 KKGE COc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=NNC(=O)c3ccccc3O)C[C@@](C)(O)[C@@H]2C(=O)OCc2ccccc2)cc1 2297710607 XZIIAFVBBJPEML-RMCTXKKHSA-N 636.701 5.144 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313570812 GSHFINPHFVKGSN-UHFFFAOYSA-N 590.257 6.977 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313570953 JYGFMFXXUJHQRF-UHFFFAOYSA-N 615.138 8.586 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 2314533094 OLLGUQYAQGTXBT-UHFFFAOYSA-N 504.468 5.668 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593511 OHAPTLXETIUZBN-QHCPKHFHSA-N 526.445 5.946 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314617559 DFPWKEYZCWMTHD-UHFFFAOYSA-N 532.575 5.870 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643215 IOKFIOQFWLIIEX-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc2)cc1 2331250976 CUCZUWDOBQGJHB-UHFFFAOYSA-N 505.426 8.159 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331452207 SLSISYRFYNNKLU-UHFFFAOYSA-N 521.425 7.531 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359125184 YCAUZMBBQUPEEO-VRRBYHOISA-N 552.326 6.832 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361172296 OCSCQGOKHUBUBN-QYEYTSMBSA-N 506.156 6.574 50 10 KKGE ClCc1ccc(Br)c(Cl)c1OCc1ccc(Cl)cc1I 2365647897 OHNKQSOEMDTENA-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2369230405 QNJXMKSZRPMODP-WGZSSWNPSA-N 552.370 8.089 50 10 KKGE Cc1ccc([C@H](CI)OCc2cc(I)ccc2Cl)cc1 2380345646 DALDVDIPFMBSAD-INIZCTEOSA-N 512.556 5.946 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Cl)c1nc3cc(Cl)c(Cl)cc3nc12 33366337 JDMZONGMQFZZSW-RPWUZVMVSA-N 503.817 5.380 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38700424 GCFOXGZIDMSPBB-WDYNHAJCSA-N 518.525 5.442 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc([N+](=O)[O-])c3)c(C)c2cc1Cl 40547522 FVHJNOMMSSOARR-XMMPIXPASA-N 515.909 6.049 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816358 YHKGOIAGLJREFY-RDRPBHBLSA-N 504.345 5.522 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 59336592 GIMHLHNBXNHPGL-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE O=CC[C@@H](C[C@@]1(F)C(Cl)=CC(c2ccccc2)=C[C@H]1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 95936667 YKZMRPKLINDMDF-WAHZDWKKSA-N 516.396 5.707 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)ccc1OC(C)C 97914871 OMMGSRBUBVRMAY-MHZLTWQESA-N 535.512 6.284 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCCCC)c(OC)c2)c(OC)c1 98027961 MLIBOGADWLKNTO-GKWGMDFUSA-N 504.583 5.101 50 10 KKGE O=[N+]([O-])c1cccc([P@](=O)(C2=C[C@]([N+](=O)[O-])(C(F)(F)F)CC(C(F)(F)F)=C2)c2ccccc2)c1 100044013 SOKYBVCKWVZSJD-FFZYEISDSA-N 506.295 5.263 50 10 KKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100261266 RWTWJUKMNILMHR-KDOFPFPSSA-N 542.268 5.109 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 100327367 LQFGLKWNTRTHRB-SQEMJAKJSA-N 531.834 5.654 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 100327542 RRCSURVVGUJEMW-IAEWTUJKSA-N 547.449 6.154 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101340419 UDRKSVQAFNNNAM-ZCTHSVRISA-N 574.656 6.896 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101388956 DSROXESRPMPSGK-DOABURPNSA-N 592.623 6.649 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101393176 NUHRRVJULFKQEM-FQLXRVMXSA-N 542.588 5.228 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)cc1Cl 101396116 JLIDDPMAWSBJFI-MHZLTWQESA-N 567.469 7.398 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)CC1 101397965 VKMKENQZBALIHA-PNXIIMKTSA-N 554.662 7.525 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101398771 FKYXYPXAMWKZAL-PMERELPUSA-N 560.537 5.948 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741656 SZCOGIGWMJQYCB-IQQNDYETSA-N 573.299 6.821 50 10 KKGE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(N(CCCl)CCCl)cc1 103812936 VRESBQIRDDNGJM-JVWAILMASA-N 566.529 6.105 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)OCC 103880031 BKFKNDYXSVBVBH-FADJLKOXSA-N 565.670 6.286 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104996602 NSQAWUVFLZVHFI-VDVYRTJISA-N 526.431 5.277 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433069 CUMUFTWEUWXYBH-DHUJRADRSA-N 659.566 8.297 50 10 KKGE COc1ccc(C(=O)Oc2ccc(CNNC(=O)CCCCCCCCC(=O)NNCc3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 150440989 XJBPXRKWSRVSQS-UHFFFAOYSA-N 770.880 6.222 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463247 BUBCZJUQRCNTLA-YTTGMZPUSA-N 641.507 8.381 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481794 VROZCVOGANYFMC-MHZLTWQESA-N 668.385 9.531 50 10 KKGE O=C(OC[C@@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150670859 WISFGQOOKBVKPD-CDTAUBPISA-N 659.485 5.640 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205780547 XIDNJIDPXKONPS-NGQJREMFSA-N 690.822 6.424 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C2=O)cc1 214396346 VANSBOAKYSUHCU-MNBJERMJSA-N 572.665 6.436 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214398009 XCYQHDUJJQHLDO-YUMHPJSZSA-N 522.601 5.774 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 214406137 PAKIJLGWKBMIAQ-YSMPRRRNSA-N 533.519 5.379 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214426735 DAABFKOLDXYGGA-OFWBYEQRSA-N 580.685 6.044 50 10 KKGE CC(C)Oc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 232688304 MNPRYFAEUUYQNZ-INIZCTEOSA-N 510.007 6.325 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2I)c(Br)c1 233790300 ZPEQHCUXNFWWPE-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 234913228 AUABZYJYKIXHKB-CQSZACIVSA-N 534.388 6.339 50 10 KKGE CC(/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)c(Br)o1)=C\c1ccccc1 252627818 SCCMNLODXFIADO-MNAQEZQTSA-N 557.242 5.672 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 254660140 YMFYAGRLAKCOKH-PWKBZBBGSA-N 655.549 6.054 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)cc2)cc1 254825237 AXQALEOTGYVDEE-UHFFFAOYSA-N 513.619 5.707 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OS(=O)(=O)c1cc(C)ccc1C 254835136 WJTPUULPEIPFEB-UHFFFAOYSA-N 544.629 5.276 50 10 KKGE CC(=O)O[C@]1(C[C@@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@@H]3Br)[C@H]24)CC[C@H](Br)C(C)(C)C1 256445359 SJYSXOUMHQMJSR-QDYOMNNKSA-N 520.302 5.537 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(I)cc2c1OCC2 380190864 DQXXWNRXPPKFOD-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584194 AQLURWHBCUUICR-ASSGPCQYSA-N 710.852 7.267 50 10 KKGE COc1ccccc1NC(=O)NN=Cc1c(Br)c(C)n(-c2ccc(Br)cc2)c1C 1083905493 FSYPCTHVUPZSKO-UHFFFAOYSA-N 520.225 5.783 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 1084041538 JUZUELJDKISLHT-QFIPXVFZSA-N 670.285 5.447 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084187656 RMBWUDIOCHKDKT-RUZDIDTESA-N 545.463 6.334 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 1084243195 UDGYFNCTTXTYLF-UHFFFAOYSA-N 588.922 8.756 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(Cl)cc1Cl 1084447110 JVENKJIIAHIFMD-UHFFFAOYSA-N 521.173 5.576 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720344 KHAUZSNCSLHEFJ-UHFFFAOYSA-N 688.870 6.239 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749689 XKFLPPCMWRPJBN-UHFFFAOYSA-N 522.561 5.737 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 1772760636 LGADEXMVFNFOIH-UHFFFAOYSA-N 525.428 5.155 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865689978 YGJHKQIEZRIHDW-IBGZPJMESA-N 536.213 5.242 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865690752 ACJGHIKXXXCGLQ-GOSISDBHSA-N 549.347 5.669 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865692892 PWVUJYOIBIYBLG-DEOSSOPVSA-N 511.453 6.588 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694589 ZSEPOJTWSYBPSG-QFIPXVFZSA-N 513.425 5.816 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696124 CQYLOOWDOGENIC-DEOSSOPVSA-N 513.425 5.952 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OCC)c(OC)c1 1865697440 SMMNVKOELBRRKO-FQEVSTJZSA-N 509.404 5.348 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702752 DMZPGVSBXUHVEF-RUZDIDTESA-N 561.867 6.648 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702777 FCBOYCKTKKDXIX-SANMLTNESA-N 541.449 6.303 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704739 CUCFZUQTACLQRD-VWLOTQADSA-N 555.432 6.025 50 10 KKGE Cc1nnc([C@@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867026802 FEMYXCAXNZQESF-UIOOFZCWSA-N 557.701 5.530 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1OC 1868456089 JKLBNWJXALEOHU-NOZRDPDXSA-N 557.651 6.319 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)ccc1F 1872749832 KBQPXASZADJCFV-CLCOLTQESA-N 515.953 6.662 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1873941049 UEVULFXYHHEGBX-NOFMQFDGSA-N 519.626 6.981 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 1909851800 FQDHHHXQWBVTIB-HCPJGSBBSA-N 509.883 5.898 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccsc2Br)c1Br 1922913263 VZXDVZWUZLHRTI-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)Cc1ccc(Br)cc1 1923065783 HJVLIALXGUDBGC-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(I)ccc1Br 1923066702 TYXGPNYDZNTKAB-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1923067138 YWPFWCZDTLEWJB-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE FC(F)CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025783606 PDHNUPNEEPVNTR-BYPYZUCNSA-N 564.682 7.218 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23COC[C@@H]2C3)c1Br 2085494413 LSFGVVUDJRYJAR-LVRCTXOYSA-N 568.723 6.209 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(I)sn3)c2O1 2120030675 XQKLWXMNFJPRCB-PWCHPLFNSA-N 515.008 5.318 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 2122801473 MDGCCXAOFHNOIM-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccccc3I)cc(Br)c2O1 2146628536 OLPBTLKFNZLRCT-RFAUZJTJSA-N 507.991 5.861 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1csc(Br)c1Br 2150344774 SCUDVZXBLCUTKF-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE ClCc1nc2ccncc2n1-c1cc(Br)c(I)c(Br)c1 2151777615 BERUREFIEBUFQC-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE CCn1cc(Br)c(COc2c(Br)cc(CBr)cc2Br)n1 2181151875 TTZJUSOJUADJSL-UHFFFAOYSA-N 531.868 5.664 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206393899 CIEIERMFSBXQAA-JTQLQIEISA-N 676.060 8.637 50 10 KKGE Brc1ccccc1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395264 NGSLKLPABLVYQP-SECBINFHSA-N 655.642 8.178 50 10 KKGE CC1(C)C[C@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206396222 UMNGBDJRUVTTAX-XVKPBYJWSA-N 554.342 7.222 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1Br 2227354251 WPAPJDLCVCNKBJ-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(C)ccc2I)cc1Br 2241002760 XCFWPRNAVJILLI-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE FC1CC2(C1)CC([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2287695427 PLOFVNCJVKMICM-URPYPMCZSA-N 598.768 7.701 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293198213 JGGFWUDCQZHTAG-QFIPXVFZSA-N 522.399 5.653 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)sc2c1CCCC2 2296719366 IRQRFUVPOSFISK-UHFFFAOYSA-N 596.709 6.447 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2297458714 YQSAZUKKTZMOMO-QFIPXVFZSA-N 522.945 5.452 50 10 KKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 2297551397 HOXNVDVFMUABAV-UHFFFAOYSA-N 515.545 5.327 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Cl)cc1 2313556728 JRSZARIAMKNXRO-UHFFFAOYSA-N 512.997 5.413 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(I)cc1 2313557137 VBRQLPXNOHJHPZ-UHFFFAOYSA-N 617.487 6.354 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567557 LTXPHBQCWLHLJO-UHFFFAOYSA-N 662.753 6.542 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313570923 JFZJWBJJAWDDSW-UHFFFAOYSA-N 586.269 7.307 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 2314478470 MSGUUIKIFQGCNB-UHFFFAOYSA-N 606.686 6.462 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2ccc(I)cc2)cs1 2314489317 SCERWZLXQVITPC-UHFFFAOYSA-N 524.339 6.437 50 10 KKGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1OC 2314489874 UAOCDYNIPHQYRY-UHFFFAOYSA-N 522.966 5.585 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617190 SIMLZHYDPZWJEH-UHFFFAOYSA-N 577.420 6.102 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617959 DTCPJGOVALCESG-HHHXNRCGSA-N 536.632 5.345 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314618074 GRHCAFZLKBVFAB-UHFFFAOYSA-N 586.692 6.526 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 2314643100 BESUREJESSVFDN-UUWRZZSWSA-N 574.652 7.539 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644627 XWEKETUEAVCWIZ-XIFFEERXSA-N 647.942 8.461 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646700 JOWPRDSPMKLVNS-LJAQVGFWSA-N 632.742 5.553 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 2314737776 RYRWRWPLJWJQNK-UHFFFAOYSA-N 509.989 7.373 50 10 KKGE O=C(CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2320488256 VOEFICPTEGJANM-UHFFFAOYSA-N 615.180 7.418 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344303 DPHFIFBZDRBWTI-UHFFFAOYSA-N 512.360 5.581 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331396303 JWPNLNAJDZSMKK-VWLOTQADSA-N 513.663 6.920 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)cc1Cl 2351643564 XAVYDOCPDZWZEK-SECBINFHSA-N 532.281 7.810 50 10 KKGE Fc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362239452 YCTDPFBSUWTBKW-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 2362248212 AUNHWOPWUBXYBI-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Br)c1sc(Cl)cc1I 2364123327 DNZQNZPCBMJCJL-SNVBAGLBSA-N 515.947 7.163 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1F 2365215744 NDJQEMQPOTVSTD-NSHDSACASA-N 533.830 7.045 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)ccc1I 2365223251 LKBFLEHIZHXTND-CYBMUJFWSA-N 597.285 7.354 50 10 KKGE BrC[C@H](OCc1c(Br)cccc1Br)c1ccc(Br)cc1 2366145758 XPWDPCSCZGFDGR-HNNXBMFYSA-N 527.876 6.627 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2ccc(I)c(Br)c2)c1 2366901607 BCKAHFXSVGNEGI-CQSZACIVSA-N 504.420 7.273 50 10 KKGE Cc1nsc(Br)c1-n1c(CCl)nc2cc(Br)c(Br)cc21 2380354602 BMAKIDOICNDSSQ-UHFFFAOYSA-N 500.441 5.817 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1 8448730 BDTPACHQOZSPKC-SFTDATJTSA-N 509.400 5.813 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCC(C)C)c(Br)c3)cc2)c1 14652987 PXUZJLJYXWQWGL-UHFFFAOYSA-N 524.415 5.119 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 29503140 MGEAAVSBTFYBMO-QLYXXIJNSA-N 595.725 6.048 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@H]1CCCO1 34806123 YHTNTCUBDOPMCW-TUPCFRFDSA-N 522.580 5.460 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 35446035 JQMLLJHOMKJBNM-ULJHMMPZSA-N 527.024 5.831 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38607562 QBPTYEPNLGRECM-OVVQPSECSA-N 506.602 5.808 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815691 IIZPAAZDHXOAQO-FDAWAROLSA-N 503.908 5.912 50 10 KKGE CCCCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870039 MCTUPYVSSOASBC-AVEIJRTDSA-N 614.791 5.668 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241350 PYWZSCCMLOXIJZ-IEQIIXMPSA-N 502.039 5.700 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101333753 GZKUZHSGNKSSPV-WPWMEQJKSA-N 508.622 5.965 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 101372310 MEPAIOGXRSEARH-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 101377742 CHVMANRLYONNFA-WJOKGBTCSA-N 526.633 6.547 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382989 GJYSRPUTCZBBPA-HKBQPEDESA-N 587.459 7.083 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384463 YZGLNLKNPJFANP-GFJKYASSSA-N 564.613 6.558 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)oc2ccc(Cl)cc12 101394351 SWYQLJIUTORMSD-JOCHJYFZSA-N 525.775 7.139 50 10 KKGE C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(Br)cc1 101506011 XNGSKNNBUPVBJO-WSDLNYQXSA-N 527.922 5.879 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600304 BKALFEUCVSXPQB-WGPBWIAQSA-N 534.528 5.725 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603283 CIXARLCSSAGIIB-GEEQJVDWSA-N 528.411 6.486 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)cc1 102621553 ZMBQOGNSOSHSDM-HCWVEKLQSA-N 591.737 6.243 50 10 KKGE N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1nn(-c2ccccc2)c(N)c1C#N 102923730 WNXURWPUFVLQKN-ODLFYWEKSA-N 575.264 6.494 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c(C)n1CCC(C)C 103071041 MSQDYZIQKPTYPM-KLKBWYFJSA-N 547.055 6.226 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741627 ZDSPKCAVXZRTKC-FNBPXTNNSA-N 522.399 5.653 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1Cl 103816567 HSYGVCJLJHGTGT-SSDVNMTOSA-N 542.035 7.830 50 10 KKGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 104997208 GVAXLRMUIKIOAW-BRPDVVIDSA-N 596.751 5.781 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411518 ZSEMQBNSQJLBRE-ISPANKDXSA-N 684.749 6.174 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 150431957 CKIXUVZCSPLAJK-APTYXWLQSA-N 681.365 6.394 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432864 CAVWMLHVPPXTTA-AYLZSAKASA-N 649.502 7.701 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433698 XWZVIPGBMCKUAY-MGBGTMOVSA-N 689.979 9.425 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1Cl 150442090 PWRRBLNHCMIFIM-UMSFTDKQSA-N 635.116 8.427 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 150473217 RWNKPCYKJGTSBF-HZHRSRAPSA-N 627.523 8.749 50 10 KKGE C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 169993837 VLEKPQBXDHFSQO-UHFFFAOYSA-N 829.776 9.138 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 213572694 RKPWDVVMCBUEMP-KDNSLJGTSA-N 644.482 7.762 50 10 KKGE in-vitro CC(=NNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254560414 SRXMNSOVVSRWKH-FCHUYYIVSA-N 522.443 6.236 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254567432 UUBRVDBMQKVLDM-UHFFFAOYSA-N 563.635 5.932 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccc(C)cc2)cc1 254735903 CVSVXXQWEFQSII-UHFFFAOYSA-N 525.556 5.513 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254749596 UQCKYYTUOVAYON-UHFFFAOYSA-N 593.661 6.022 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(O)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@@H](O)[C@@]1(C)O 255973349 GAYMGJQYVVDZLC-BICYAAARSA-N 965.425 6.690 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025279 VXKLAISHHCZDBL-SJMKIHAOSA-N 756.833 13.612 50 10 KKGE O=C(OCc1ccccc1)[C@H](CCI)NC(c1ccccc1)(c1ccccc1)c1ccccc1 575370567 UUTMRIFXFSZLFB-NDEPHWFRSA-N 561.463 6.505 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616672212 KZGMRIKHAODPOV-MUUNZHRXSA-N 525.926 8.419 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(CCC(=O)NCCc2ccc(O)cc2)cc1O[Si](C)(C)C(C)(C)C 725239747 YWOAVAWNIKCWNG-UHFFFAOYSA-N 529.870 7.452 50 10 KKGE O=C(CNc1ccc(I)cc1)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1083972961 AWNALQLRDDGQBM-UHFFFAOYSA-N 503.343 5.751 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1083974993 TYQVLZAAIDKDMT-UHFFFAOYSA-N 555.281 5.492 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3cc(C)cc(C)c3)o2)Cc2ccc(Cl)cc2Cl)cc1 1083986097 SWHYXTAGSDHSAZ-UHFFFAOYSA-N 627.550 5.992 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1 1083989191 QOIVEEOKVGEKKY-ODLFYWEKSA-N 530.249 7.497 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084177866 KUASYKCDESHPTC-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl 1084390085 HKBSYSTVYRHTQU-VIZOYTHASA-N 545.204 5.571 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1 1084400575 JIHYRTVKUBSKHY-UHFFFAOYSA-N 653.698 7.195 50 10 KKGE O=C(CSCC(=O)Nc1ccccc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084431046 QQXLREPNBJWQMP-UHFFFAOYSA-N 534.641 5.015 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 1084551610 GVKQGFCUQALYHA-XMMPIXPASA-N 563.851 6.183 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c(Br)c1 1772755506 KALQPNOASPIVES-UHFFFAOYSA-N 559.888 6.562 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686816 BOEYZPPHDJFSHK-HHHXNRCGSA-N 510.569 5.439 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687326 OOKUREGJRNQJDX-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688434 RYBRMRRIBLOOQQ-MUUNZHRXSA-N 559.041 6.135 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688626 XFKJJNHBSFGRKL-HSZRJFAPSA-N 526.559 6.062 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1 1865693811 LZXMHWSZZFDKCC-HHHXNRCGSA-N 571.475 6.393 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865694105 ULFMCDFGMGIDHS-GOSISDBHSA-N 504.896 5.229 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694891 DZIXOLGHGOZGLO-VWLOTQADSA-N 503.389 6.285 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865695995 WEFOKUAAEWOMCX-PMERELPUSA-N 575.068 7.307 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696034 WMBPDEROYVTIFB-SANMLTNESA-N 514.988 6.083 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865697467 TZMFLZNABYDFRF-QHCPKHFHSA-N 537.458 5.499 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)c1 1865702358 UDWLGIHJWJHRKU-DEOSSOPVSA-N 529.413 6.335 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865704427 VODUGWXVMNBBBU-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(OC)c1O 1865715112 WMCMTLWVXKDMDN-HSZRJFAPSA-N 514.969 5.193 50 10 KKGE CSCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866849675 DSGYYFFMSDXFJR-HXUWFJFHSA-N 544.500 5.007 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)n1 1868342570 WLJIJTXTOHSGES-LJAQVGFWSA-N 535.673 6.972 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 1872726738 DMCOPDLIQCFDAL-MHWRWJLKSA-N 516.247 8.009 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Br)cc1 1872728748 RGSZJCDWXTWJGG-DEDYPNTBSA-N 510.384 6.649 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)cc1Cl 1872756500 MNODFYSLGXUXAT-XLNRJJMWSA-N 509.971 5.435 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1OCCC 1872818366 ZCHGWZRMQROJOJ-XDOYNYLZSA-N 513.457 7.186 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924593976 JGFYUROBNIHGAK-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE C[C@H](Br)Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951710385 XUKMPWYSQWLKCW-ZETCQYMHSA-N 691.911 6.173 50 10 KKGE N#CC(=Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2ccc(NC(=O)C(C#N)=Cc3ccc(F)c(F)c3)cc2)cc1 2053622187 PCHIJMIJTVZSMF-UHFFFAOYSA-N 566.514 7.001 50 10 KKGE CN([C@H](c1ccc(C(C)(C)C)cc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080758899 LDRFSVNOZYUAIR-VZWFPNHASA-N 541.741 7.226 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(C)c2C)c1I 2082883622 HCOCZYACAVYAFK-GFCCVEGCSA-N 500.037 6.525 50 10 KKGE Cc1c(CCl)ccnc1Oc1c(I)cc(Cl)cc1I 2127096920 SVWGSXYRWXRZFN-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 2136372916 WXPFRZLILOMRDW-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2142289608 RNZBUVLPEZTKQI-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2I)c(F)c1Br 2142291345 KRCMHERZPFATMD-LLVKDONJSA-N 566.803 6.579 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3csc(Br)c3Br)c(Br)cc2N1 2150344053 BGKHSKAXKCZLFL-LLVKDONJSA-N 544.888 6.015 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 2202999660 MMRNIYYOUACIEU-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)cc(C)c1Br 2220199813 HPUHJMLJDDLCEH-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2225635898 XPNUYIQQXRPQAA-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE COc1c([C@H](Cl)c2c(Br)sc(Br)c2Br)csc1Cl 2256860741 RNQNGJTVIKCIPJ-LURJTMIESA-N 515.901 7.087 50 10 KKGE Cc1c([C@@H](Br)Cc2cc(Br)cc(Br)c2)nn(C)c1Br 2277966104 QFAWVYKFZGYSOS-NSHDSACASA-N 515.869 5.695 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc2sc(Br)cc2s1 2295494531 KBXVGLZCOSBCNQ-JTQLQIEISA-N 515.517 7.773 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CC[C@@H]2C3)c1Br 2297848143 DNTAZSIFHLUBJC-IDTHNEBUSA-N 552.724 6.973 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2I)c1 2301084889 YSDXKULHUDZHJG-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301121501 YONRIDSGGRLMNC-CYBMUJFWSA-N 522.079 5.007 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314447671 ASFMSAJIDRIPBX-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314454203 DJUANCYYQLJLQF-SFHVURJKSA-N 529.070 6.317 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 2314475953 GGDFEHSRCOBIEB-UHFFFAOYSA-N 565.699 5.814 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 2314531792 DXXWXUIFBHNEAK-UHFFFAOYSA-N 550.615 5.815 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592465 UNRYRXLEJRSJGQ-VWLOTQADSA-N 535.591 6.641 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593145 IFCYFNCDHRPOER-DCFHFQCYSA-N 513.638 6.253 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314611648 YMDVYOGMRVVMFO-QHCPKHFHSA-N 536.676 6.889 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314617098 QQAOBMFLUBHYLY-UHFFFAOYSA-N 570.693 6.983 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618547 PJQQHUFVIMTCJE-XMMPIXPASA-N 542.639 6.600 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618577 PXOOOMDJBTVADB-DEOSSOPVSA-N 591.111 7.725 50 10 KKGE CCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OCC 2314737244 UCKXTNTWYMURSP-UHFFFAOYSA-N 526.589 5.335 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1cccc(Br)c1 2314760160 INDMNSURUHXUIN-QGZVFWFLSA-N 539.382 5.037 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cnsc2Br)c1Br 2315617702 UMHQLWGSZDOLHG-ZETCQYMHSA-N 543.275 6.707 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)OCc2ccccc2)c1C 2331123718 KZDONGLIQWMFJI-UHFFFAOYSA-N 548.617 5.161 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2cccc(Cl)c2)cs1 2331293861 LQYCBZSVAVSAMV-UHFFFAOYSA-N 518.381 6.867 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCc1ccc(C)cc1 2331489406 ZTFXCTOLXJMTDO-UHFFFAOYSA-N 518.638 7.932 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1scc(Cl)c1Cl 2339654035 OSXWCZBYGOQEFU-VIFPVBQESA-N 511.863 7.512 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H](Br)C1CCCC1 2349839551 ILQDDLPUNJJBJI-CQSZACIVSA-N 501.044 5.439 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2364065042 YKWUDQXEHMLTBJ-SECBINFHSA-N 529.852 5.127 50 10 KKGE N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1767616 DRKTVCAGZBJALU-VBKFSLOCSA-N 535.379 6.210 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc2c1CCCC2 6167453 FVSZNKFCESCGFW-UZMMJWQXSA-N 563.676 5.372 50 10 KKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 10683717 SSMWBBUAEXJJJX-UWJYYQICSA-N 519.480 5.644 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665498 NHIKGJHXMFASRO-IBGZPJMESA-N 525.443 5.424 50 10 KKGE O=C(COc1ccc2ccccc2c1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665539 FNJVFAHHNZWPHV-UHFFFAOYSA-N 519.395 5.064 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC(=O)c1ccc(F)cc1 33687081 PHDOHCMXAGQJJU-XSFVSMFZSA-N 514.538 5.612 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 33897674 LVKGAAZWSVXHIK-NDENLUEZSA-N 504.970 6.937 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38681316 YCZZLINSEZTNNY-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684779 JHSNROXXWGKDDS-NDEPHWFRSA-N 502.542 5.597 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 38701311 DPZJWDXULBGTQQ-MUUNZHRXSA-N 508.574 6.748 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 40911838 DSLNKPVQHPEUHI-STBIYBPSSA-N 525.443 5.711 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 58888995 RDOREYALICYCHG-RJNBOEKGSA-N 501.808 5.645 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(C(F)(F)F)c1 96438576 MHXQDHAMNBQFCL-HAHDFKILSA-N 516.519 7.382 50 10 KKGE O=C(CCc1ccccc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100283034 RPULZQNYGXODNA-UHFFFAOYSA-N 540.639 5.177 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 100452414 VJJHUMTVRYDINV-ZZXJHYAVSA-N 551.868 6.799 50 10 KKGE Cc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CCC(C)C 100870114 HZBNHPVEKMXZBD-PJJLUWSFSA-N 555.476 6.500 50 10 KKGE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 100924059 GZSHTIMVPSVPCP-CQJGBVBZSA-N 548.308 7.055 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242737 SDQOFPRSHVZNGY-YMGIJWJESA-N 536.451 5.402 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101372073 YDTCGMDICJEOFP-PMERELPUSA-N 607.501 6.619 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1c(F)cccc1Cl 101394415 TWPQVCTULNOSEY-HXUWFJFHSA-N 545.806 7.438 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399733 XRPCCRPNYPSHAO-JGCGQSQUSA-N 607.062 7.810 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 101479308 FZRUFINEWNATMD-UHFFFAOYSA-N 543.669 6.943 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599773 FMSIGVLUCUPXNN-NDZAJKAJSA-N 597.263 6.351 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccccc1OCc1c(Cl)cccc1Cl 102347552 QNGCMXXTGHPWHE-BOPFTXTBSA-N 529.445 7.090 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1)OCCO2 102347579 PHOFCPRROBQMRP-WQRHYEAKSA-N 559.338 6.364 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741434 WFHBWRWVSRHTFM-RILMWAFASA-N 526.239 5.745 50 10 KKGE O=C(N/N=C/c1cccc(Cl)c1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)cc1 105448961 KQPBZSUZQGUPKO-LTTYKRRRSA-N 579.465 5.354 50 10 KKGE Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C/c1cccc([N+](=O)[O-])c1)=N/NC(=O)C[N+](C)(C)C 105756331 YFHFIBWGRXORPO-GVOZGOAYSA-O 606.732 6.119 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 150433472 YDWCQTGCPSAZAX-UHFFFAOYSA-N 653.643 6.907 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 150441227 YYMPUCVLXSJHNC-UHFFFAOYSA-N 657.384 5.701 50 10 KKGE O=C(CCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 150590467 BOFNHWZSVRKTHA-FQMUTUERSA-N 762.543 8.701 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2I)cc1 150639539 KULQTIWLAJVQEY-IUXPMGMMSA-N 681.224 5.943 50 10 KKGE O=C(OC[C@@H]1O[C@@H](N=C=S)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150670864 RITGYQZMPNVVEG-GICZQSFYSA-N 637.666 5.348 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1 164631704 WETRQOJKVPNURI-NNLKUIAGSA-N 683.444 9.049 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205656502 DGUQDUSONLFMEM-HWJJOBPGSA-N 526.589 5.720 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205661418 HUXNSGSUVQEDPL-LUSKWHGUSA-N 564.726 8.170 50 10 KKGE COc1cc(Br)c(Oc2cc(Br)ccc2CBr)cc1Br 218336935 KUTSNQNMAVNGPM-UHFFFAOYSA-N 529.848 6.670 50 10 KKGE CCCOc1ccc([C@@H](Br)c2ccc(I)cc2)cc1Br 229008813 CZJJNHWUUPALPV-INIZCTEOSA-N 510.007 6.327 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254447706 VHYPXTLRHNWNRH-UHFFFAOYSA-N 525.517 5.019 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=C/C=C\c1ccccc1 254559222 ZRBKVJICESHKHH-KUNBPVRCSA-N 518.646 5.940 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 254722042 VONDPAVAUZWPBU-UHFFFAOYSA-N 536.757 8.626 50 10 KKGE C[C@H](C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)O3)[C@H]21)[C@@H](C)O[Si](C)(C)C(C)(C)C 575232026 ALHDGNSPBBXBJX-UOGIYUTHSA-N 981.707 14.369 50 10 KKGE in-vitro CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616595440 LRADHVLLERDASV-MHZLTWQESA-N 510.795 7.270 50 10 KKGE CC(C)(C)c1ccc(CNC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238338 RYHIUPIXKHJZDB-HSZRJFAPSA-N 523.020 6.694 50 10 KKGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240332 ZQAGWXUKPIARBB-AFJUYQOFSA-N 503.850 5.593 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1 1083913550 BZCSMQWOWLYOGK-RQZCQDPDSA-N 550.667 7.842 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2C)cc1 1083960234 KYPILIKFHCQKBO-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccc(Br)cc1 1084044986 DMDYNWPITHHKKF-BOPFTXTBSA-N 532.221 6.889 50 10 KKGE COc1ccc(OCC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084068552 RQIKPKZGGOWHQY-UHFFFAOYSA-N 570.715 6.133 50 10 KKGE CCc1cc(C)cc(OCC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1 1084084727 OGYZFYNOSBWBRT-UHFFFAOYSA-N 582.770 6.995 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1 1084091512 ZOCAOTXVSZHSHH-UHFFFAOYSA-N 563.679 6.073 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084130656 VZRQXSOUGJVUCK-HNNXBMFYSA-N 517.365 5.197 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084252846 GLDKIHPMYYAGPU-UHFFFAOYSA-N 629.953 6.635 50 10 KKGE CCc1cccc(C)c1-n1c(C)cc(C=NNC(=O)COc2ccc(Br)cc2Br)c1C 1084303900 SZXUEPRZDASPIK-UHFFFAOYSA-N 547.291 6.019 50 10 KKGE Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1 1084414923 VMCCUPLACBBGHE-WOJGMQOQSA-N 563.222 7.031 50 10 KKGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc(OC)c1OC 1084473709 IEGIXRMQJTWCHW-UHFFFAOYSA-N 533.584 6.035 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(Br)cc1 1084562692 SYXUPKPNFZDGMM-UHFFFAOYSA-N 532.232 5.953 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc5ccccc35)CCC4)c2n1 1772748431 QCQIXJHWXKNRJI-UHFFFAOYSA-N 503.558 6.287 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865689694 CNQVLWMITSITEM-KRWDZBQOSA-N 505.294 5.270 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccc(C)cc3)cc2)cc1 1865693294 NAFZLUNAQPFENE-PMERELPUSA-N 524.624 6.953 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865694393 XMVVLXQLYXTPNY-RUZDIDTESA-N 543.023 6.217 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695256 ATSBRTWNHCTBRS-HSZRJFAPSA-N 563.839 5.947 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865696120 CPTFKZXHZVIEMA-KRWDZBQOSA-N 569.765 5.932 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc(Br)ccc1O 1865697233 XZAXZPQAZUJUDS-QFIPXVFZSA-N 551.803 6.077 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCCCc1ccccc1 1865697613 YAIVPRAMMRKLMJ-NDEPHWFRSA-N 527.024 6.073 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700703 BMHNLZNSYQVCAN-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705510 XLZOMSDLVFNDMW-HHHXNRCGSA-N 504.590 5.630 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711555 BFWMIOSESUEBME-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712650 DRYBHXTWSAMCGF-HSZRJFAPSA-N 531.931 5.526 50 10 KKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1c(Br)cc(C#N)cc1Br 1866128904 RSGUFGSWUXIXMV-LFYBBSHMSA-N 509.983 5.391 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215308 MZYYTDMIVMLKPG-XMHGGMMESA-N 510.999 5.816 50 10 KKGE CSCC[C@@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866854446 KGXKHCHQQSPIOC-OAQYLSRUSA-N 560.532 5.731 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014653 YUOSLIOXWYKTSL-WDYNHAJCSA-N 559.757 6.599 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@@H]2CC(=O)c3ccccc32)cc1 1867243864 VOHCGCJORYKGJX-CPJSRVTESA-N 515.660 5.377 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCCc4ccc(N5CCCC5)cc43)nc(Cc3ccccc3)n2)cc1 1868207190 JBAUUVSRGYSAHO-UHFFFAOYSA-N 518.690 7.069 50 10 KKGE COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231978 YYHNJAVGHKEIGN-SSEXGKCCSA-N 555.679 7.225 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 1872744986 RXZZAIGJDDZRIJ-UZYVYHOESA-N 514.390 5.699 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872749343 MUSRAIKAIORWDE-SLYVZIKFSA-N 515.034 7.866 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749413 QHDHYDHFSFTREL-FOSWXRMZSA-N 501.608 6.102 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 1912969923 AYSJCCISBVDUMN-SSDOTTSWSA-N 510.896 6.285 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915131148 TXUWDCBOCAJSRM-CYBMUJFWSA-N 551.060 5.870 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924593335 DTIWAQWQZYAYIE-SECBINFHSA-N 542.287 7.265 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)s1 2026221655 NGYZUUQNEQOPLC-NSHDSACASA-N 550.879 6.670 50 10 KKGE COC1(C[C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 2049789616 YXUWRVUEZUULFM-SSDOTTSWSA-N 525.926 6.821 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccc(F)cc1 2053623189 KORCZBHKNCBTHU-UHFFFAOYSA-N 596.318 6.582 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CCOC2)c1Br 2085495549 RJTYODXBSCQGCH-RQJHMYQMSA-N 570.739 6.599 50 10 KKGE FC1(F)C[C@]12CC[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2099916671 UZULEIPSAXNUBB-AODONOJDSA-N 543.891 7.297 50 10 KKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467943 FGCIPQXDDPIXOL-DNSOKLHBSA-N 582.794 7.855 50 10 KKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141468746 NFBWZYDKZPDWLU-BWZBUEFSSA-N 584.766 7.130 50 10 KKGE CCOc1ccc([C@@H](Br)Cc2ccccc2I)cc1Br 2143867488 CTFJBDPCERGKAR-ZDUSSCGKSA-N 510.007 6.131 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)[C@H]1CC[C@H]1OCc1ccccc1 2179831581 YPMNHNKDAVPLGF-RBUKOAKNSA-N 517.283 5.021 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(I)ccc2F)cc1Br 2198733719 ZBEGXZPNNCTVMV-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 2201079105 QQQMAOXQUOKROY-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@H]2C[C@H]1CO2 2206396545 YCAUZMBBQUPEEO-YNIIMROSSA-N 552.326 6.832 50 10 KKGE Cc1cccc(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206402476 AYVYCZDHOIJSFI-LBPRGKRZSA-N 546.322 7.568 50 10 KKGE Clc1cc(CC(CBr)(CBr)C2CCOCC2)ccc1I 2208035639 GOJUVFPZWPVCSH-UHFFFAOYSA-N 536.473 5.690 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNc1cc(Br)c(Br)cc1N 2213525169 ANRVCIIMLBMGOJ-UHFFFAOYSA-N 501.310 5.112 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)cc1Br 2226086416 OVNQOHGTTWIXMR-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE CCc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2232176871 GVSHODWIYJDUOW-ZCFIWIBFSA-N 556.343 6.469 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)s1 2233008661 JIRIKCNJTCETOS-CYBMUJFWSA-N 506.030 6.633 50 10 KKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233976843 QPONPYLDQCPACV-NSHDSACASA-N 507.038 5.300 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1ccc(Br)cc1Br 2246464424 BZYPJVJHEVWCHH-VIFPVBQESA-N 524.297 7.173 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1C 2253515740 GKMSKYVRBMCXJZ-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Cl)c2Br)c1Br 2283199702 JKZVUJBXXHDJTB-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2293189950 YQDATUTZMOERME-UHFFFAOYSA-N 547.976 6.959 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 2293713046 LGKKZDRTRWLQAI-UHFFFAOYSA-N 539.705 6.456 50 10 KKGE O=C(Nc1ccccc1)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2295113303 LIWFNRAGVIOAPC-UHFFFAOYSA-N 542.575 6.438 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568362 VDLCHDPZMFRNFM-UHFFFAOYSA-N 618.302 6.433 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 2313670681 OTEYJBQYQRHIHH-UHFFFAOYSA-N 540.255 6.899 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3ccc(OCC)cc3)c2)CC1 2314475835 DCUDECCLHFRGJQ-UHFFFAOYSA-N 653.761 5.447 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@H](CC)C2 2314571638 JDJABECEFOQFGB-HNNXBMFYSA-N 543.472 7.552 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593958 WNQWNTMHTCHGRW-MHZLTWQESA-N 511.647 5.561 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314610600 JXYYGJUBTNHBPF-JOCHJYFZSA-N 540.623 5.964 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314620944 WRSFDJLYCQZRNY-UHFFFAOYSA-N 502.611 5.354 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 2314643316 QALGBORQYKUNLA-JGCGQSQUSA-N 548.570 6.250 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2314754024 IQYJRRIHQURUKH-UHFFFAOYSA-N 509.562 5.538 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 2321721465 LBFZZDRODOOCJW-HXUWFJFHSA-N 516.038 5.415 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Br)c(OC)c1OC 2331232575 WXLZTDFLEBQOAW-UHFFFAOYSA-N 518.345 5.456 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c(C)c1 2331393073 MMRIOYDAPSCBQS-UHFFFAOYSA-N 519.626 7.103 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2338757792 MQJXIISHJOCZNB-SEWBAHNZSA-N 500.012 5.775 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2362222767 DKYLPKPKMOLDTM-GFCCVEGCSA-N 570.703 7.857 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2scc(Br)c2Br)c1 2381240359 GDWGMDXNGLTEDF-GFCCVEGCSA-N 503.481 6.935 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1 29491715 XVINIEPFLUJCOV-OFWBYEQRSA-N 588.755 5.997 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38683676 GOUNHMWMYYQSMO-CLYVBNDRSA-N 512.562 5.188 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 38684132 LWHSPIQCQNVHAY-SANMLTNESA-N 504.970 5.821 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 38688722 KDSWKMJAFJGFTC-NDEPHWFRSA-N 524.573 6.203 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 40530043 VFBFHRKFAMYXLO-VKGTZQKMSA-N 516.569 5.986 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 96610724 XSLCAMPVVCGIBH-NLIUNQKYSA-N 522.270 6.937 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 100920321 DPHRPGAFRIBYIU-ZRZWOPFXSA-N 576.682 5.261 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 101012503 AVJBKGUXPAUHHD-DXJNIWACSA-N 566.082 7.419 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc(C)c1C 101033222 VXOWNJXWGCSIAG-XSFVSMFZSA-N 531.037 6.593 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245190 NYJUXQMFAMNTFS-RAMZYJDASA-N 501.583 5.598 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245722 IZHNOMGRWBGUMM-UZEPBSNMSA-N 518.038 6.112 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246446 XSHCRZCJHYDCLW-KVILUOORSA-N 518.038 5.976 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1C 101332989 FGVNWCBCMFKAOR-NLRVBDNBSA-N 506.606 5.805 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 101340632 JYCYXGXAMDCCEI-KOEQRZSOSA-N 504.602 6.366 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101367619 NYLKQEUQRCWQRD-SANMLTNESA-N 549.421 6.074 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101368195 MMOZQAGQQSMIQX-SSEXGKCCSA-N 540.660 6.855 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384067 ZCSMSMXVAVLXSQ-PMERELPUSA-N 601.428 6.370 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387602 XTEKOHZEOXUMAM-HKBQPEDESA-N 587.459 6.947 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101392038 SNBBSFVYHYXJQR-HXUWFJFHSA-N 562.261 7.952 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101393051 GDYLRHKTYTUQGK-SANMLTNESA-N 569.441 6.627 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101393173 NUHRRVJULFKQEM-VMPREFPWSA-N 542.588 5.228 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 101393183 UZOCTNXJOZWRPL-LJAQVGFWSA-N 538.600 6.756 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101395621 FQNAKKKJHXMKEM-LJAQVGFWSA-N 603.140 8.268 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccc(F)cc12 101397942 VHLLJUVCUQEIOL-SSEXGKCCSA-N 564.544 7.036 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602109 PMOFFGIDKLFIQX-LQKURTRISA-N 535.771 6.179 50 10 KKGE N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102463039 DIRGSCDNYIOIFI-JLHYYAGUSA-N 518.314 6.674 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Br)cc1 103755134 FKRLLDRTUIKLLS-RGVLZGJSSA-N 617.281 6.804 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 103887689 SPOCSTOCEFRHOI-OYKKKHCWSA-N 544.392 6.878 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150463673 JDNYGDJOURATHQ-SGKMTROSSA-N 662.768 5.562 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497483 PZGAAPXATKTGJN-FNTLCPBMSA-N 640.743 8.372 50 10 KKGE CC(C)(C)OC(=O)N1C(=O)CN2Cc3cc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)ccc3N=C21 198233248 JRWHKUYDFOFQQL-UHFFFAOYSA-N 541.724 5.206 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205777732 ZSEMQBNSQJLBRE-LVWIFPILSA-N 684.749 6.174 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205777859 IEVZKGQYNXLAKZ-KEBVBBACSA-N 684.749 6.174 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1 214240678 IMAQZCQIVVBBQV-SXBRIOAWSA-N 564.730 7.671 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1F 214297896 WEHKOHWTZFUZLM-ITYLOYPMSA-N 556.638 5.876 50 10 KKGE CCCC[C@](C)(C/C=C/[C@@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C 215738211 SNUSPEKJEHUDOM-YVUMXBJSSA-N 568.988 8.842 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254792345 WACNZZQPGXIOAF-UHFFFAOYSA-N 559.707 6.555 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1cc2c(cc1Br)OCC2 308421942 YFQBRPSHMTVIFP-HNNXBMFYSA-N 572.860 6.235 50 10 KKGE Fc1cccc(CBr)c1Oc1c(I)cc(Cl)cc1I 311436324 TXVGBMZMMPDXEP-UHFFFAOYSA-N 567.361 6.376 50 10 KKGE ClCc1nc2cc(Br)cnc2n1-c1cc(I)ccc1Br 312657891 VWSKUFUUIWHCLA-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE O[C@]1(C(Cl)Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 380981693 ISTHNDHHKHNGJB-ORDGYQPLSA-N 623.573 6.851 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(Br)c2)[C@@H](CI)C1 382699822 XISZSXNPWNADPO-FUHWJXTLSA-N 500.174 5.236 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 719532963 CLQASETVKAQWAP-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084011177 TXSUIEYGLZEWAE-UHFFFAOYSA-N 541.254 5.102 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC#N 1084231299 VMVVSEPOMHAADG-MDWZMJQESA-N 542.160 5.445 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084312669 JKYCRCZNXXCWOL-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 1084347828 NZCKHWDSWOQPLY-DEOSSOPVSA-N 525.443 5.699 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1 1084528762 CKYZUUDKYGDKDQ-UHFFFAOYSA-N 654.845 5.770 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc2ccccc12 1084570585 WFGPDTRNPGWBPJ-UHFFFAOYSA-N 504.586 7.056 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)C1 1554268763 FEWNGVNCCGVVKT-XDRFESMUSA-N 586.739 5.544 50 10 KKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCc1ccc([N+](=O)[O-])cc1)/N=C/c1cccc(C(F)(F)F)c1 1615949643 OGLQZTJGKUBUDH-IBBHUPRXSA-N 540.420 6.623 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865682987 CIRHFJVUXIXWRJ-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865691299 OXEZESREAJKKSN-XMMPIXPASA-N 571.903 6.783 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692093 AMWKFPYGEFZNSS-SANMLTNESA-N 531.443 6.847 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865693658 PUEVKTNHDPTTNE-IBGZPJMESA-N 536.913 5.758 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cc(Br)ccc1O 1865695320 BKJTTYPOLOXIMA-QFIPXVFZSA-N 517.358 5.424 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865695668 GGDIGKQZSIQVFU-AREMUKBSSA-N 521.061 6.664 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(Cl)c1O 1865706954 JUQPQOYFAIRXAF-NRFANRHFSA-N 505.361 5.778 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867183508 WXXOKNSNRZCJNN-MUUNZHRXSA-N 556.663 6.394 50 10 KKGE CC[C@H](NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867209087 NNDDBAGDPZICRS-FPOVZHCZSA-N 518.477 5.694 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(C)ccc4[C@@H]3CC(C)C)n2)cc1 1868527783 HUDOUDMTXVVEIE-PMERELPUSA-N 549.744 8.317 50 10 KKGE Cc1c([N+](=O)[O-])cc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1[N+](=O)[O-] 1872753831 OYYTUQIQZUJNLR-GFMRDNFCSA-N 500.492 6.677 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1nscc1Br 1899887138 YRNDLRFLNODUKG-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Br)cc2)c1Br 1922898004 RKQQEGAZAMHCPG-JTQLQIEISA-N 517.906 7.023 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(I)cc1 1925570660 JDPUNZZPWCDDQC-QMMMGPOBSA-N 526.846 6.906 50 10 KKGE COc1sc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2034630627 XOCGZGPPKAWQNR-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](c1ccc2ccccc2c1)c1ccccc1P(c1ccccc1)c1ccccc1 2080760375 NPFQPRKFPNKJDT-OCZFFWILSA-N 521.666 6.739 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)c1C 2082873935 PACWZPKPZQJNFL-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cc(Br)sn1 2084090901 ATZPBBNZZBUOTA-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE C[C@@H]1C[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141468898 OZOZAXQZZWLWJH-DDZXGWPLSA-N 540.315 6.832 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Br 2141469405 ANLWWRAWYPUKLK-JTQLQIEISA-N 726.540 8.807 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@@H]1[C@@H]1CCN(Cc2ccccc2)C1 2154363664 QTIWWRBBXLXIRO-UYAOXDASSA-N 512.717 6.488 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c(F)c1Cl 2201612041 WJRRBTDQNYTCCU-NSHDSACASA-N 509.797 7.234 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC23CCC(CC2)C3)c1Br 2206396612 YXFYJHCWHVEGHL-PZRTYGLHSA-N 594.805 8.143 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)c(C)c2)cc1Br 2207110010 CVNFIULJJRCFEQ-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(I)c1 2207261880 VVQBMPGNUSSFOG-CQSZACIVSA-N 572.860 6.235 50 10 KKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1ccc(Br)cc1I 2207265937 XZBOSIQVMXDTNJ-LBPRGKRZSA-N 510.951 5.641 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1sc(Br)cc1Br 2210635896 OTCGJVJUKQYWAH-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)c(C)c1Cl 2224306926 IYAFLQHLFOKCRK-JTQLQIEISA-N 552.351 7.790 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)c(Cl)c1Cl 2224314057 WYJYFJHDEWINGH-JTQLQIEISA-N 548.736 8.324 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)s1 2224789363 NUDRCXMYZADQTG-JTQLQIEISA-N 509.510 6.962 50 10 KKGE Clc1cc(I)c(OCCCCCI)c2ncccc12 2227430786 GYNZVXSCNRHAIU-UHFFFAOYSA-N 501.533 5.477 50 10 KKGE COc1ccc(Oc2c(I)cc(Cl)cc2I)c(CBr)c1 2235982513 YKLFVIGNPFOXDA-UHFFFAOYSA-N 579.397 6.245 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1Cl 2268256477 ZPKWXLQXHOWBPP-SECBINFHSA-N 509.872 7.073 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(N3CCN(c4ccccc4)CC3)nc12 2296731404 UYKIMFADZUEGGX-UHFFFAOYSA-N 504.619 5.003 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 2297321386 AYHVEDRVWRPORI-UHFFFAOYSA-N 584.470 5.958 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 2297457173 UFGPNYCFKQVNJX-UHFFFAOYSA-N 542.579 7.408 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571177 PDWQDFNOBOTLKT-UHFFFAOYSA-N 662.536 8.139 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313738595 ISCNTYAAOFJTDC-UHFFFAOYSA-N 501.302 6.593 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314449231 OIGHFBKEASVJBG-IBGZPJMESA-N 529.041 7.414 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314488365 NUGOLIPGONMHIA-UHFFFAOYSA-N 501.361 7.003 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592118 MDZIJPGHOKMKOV-RUZDIDTESA-N 518.038 6.112 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592139 MLPWQURPZKXJQC-SANMLTNESA-N 549.618 7.202 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314611044 PCXYUZOVDPGQQC-QFIPXVFZSA-N 577.084 7.162 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314617130 REPLSRJCDIHZOA-UHFFFAOYSA-N 508.647 6.186 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 2314640756 WBQRNMPKHBZKAK-JGCGQSQUSA-N 532.571 6.550 50 10 KKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)c(F)cc1Br 2316600110 AVMQMLUXTOLJCJ-JTQLQIEISA-N 528.381 6.531 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329655644 AJJJOFCOUICHSN-UHFFFAOYSA-N 529.843 6.726 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(Cl)c3)nc(O)c2cc1OC 2331042612 RHSIKXNCACWYEA-UHFFFAOYSA-N 503.942 5.658 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(Br)c(OC)c(OC)c3)n2)cc1 2331305559 UACGBTUICQVMSX-UHFFFAOYSA-N 513.413 6.495 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c2ccccc2)cc1 2331339263 SQMHMFVSIPMDBZ-UHFFFAOYSA-N 514.650 8.784 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)c1 2331470061 CLCOVACRSDCFHW-UHFFFAOYSA-N 501.402 6.148 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2335298026 ANGINQXUTKSXMD-SFHVURJKSA-N 519.035 7.958 50 10 KKGE COc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2365840034 HLQCUFDEKBIVNW-LLVKDONJSA-N 588.768 7.788 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790710 DLUMBUQEOAESBY-FNBPXTNNSA-N 512.393 6.197 50 10 KKGE Cc1ccc(CSc2ccc(C(=O)NNC(=O)c3ccccc3Br)cc2[N+](=O)[O-])cc1 3020686 HAYRHQJRHSYNAL-UHFFFAOYSA-N 500.374 5.033 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 3186631 PXGSJEVXZTXFKN-WKULSOCRSA-N 526.037 5.985 50 10 KKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 20530032 BAERCRIHOKVBST-UXHLAJHPSA-N 507.373 6.720 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38650704 UXUSHDCSYRXDDD-MHZLTWQESA-N 504.970 5.640 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1 38660026 ANTHLMPQPJZTGS-HHHXNRCGSA-N 510.571 5.773 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685458 LMAHGYUMZLLZDJ-VKGTZQKMSA-N 516.569 5.986 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812427 GZZAGMGZOQZHGH-XXSAHEEDSA-N 509.541 6.865 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1OC 40911953 HUBAVBVOVDVENG-MZJWZYIUSA-N 505.453 5.709 50 10 KKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 100153713 CHKPDJLEEWDDTQ-UHFFFAOYSA-N 556.295 5.709 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212072 CJOGMYDQPFQLGI-UHFFFAOYSA-N 566.279 5.998 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 100327942 ANPWAJNEAAWLDQ-PVEGLGLCSA-N 558.416 5.151 50 10 KKGE COc1ccc2nc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)sc2c1 100935375 YBLJPLRQFPJISK-OCBCSQNSSA-N 567.141 5.929 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244538 UIQUPJVROWUOCG-IDJUBOEBSA-N 570.036 7.547 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101314696 JVJFFEWBBILVFF-HSZRJFAPSA-N 583.880 7.864 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101338010 SUAAKXYSRINVEU-OVVQPSECSA-N 544.611 5.391 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101367996 HQBNZIGWZBPXHM-YTCNQMHGSA-N 545.035 6.755 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101368018 VQZZOAURJMHWSJ-CDFXGTJGSA-N 566.698 7.399 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381341 RTCWOTJQVNTSOQ-QTYPKTMWSA-N 615.513 7.726 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(C(C)C)cc5)ccc43)c2)cc1 101382440 GYDZFBHQLDTOJM-PBUKZNKTSA-N 574.677 7.289 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382744 PAMIQHSOSSEBPT-GSDIUPAVSA-N 534.999 6.756 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386166 QEPXBAVEMVMVRV-MJXKIBSNSA-N 595.051 6.773 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101393820 HWLARIWQPZVHLZ-QFIPXVFZSA-N 521.425 7.208 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cc(C)c(Cl)c(C)c5)c(C)c43)coc2c1 101620522 OZWZHRRIPCHIIB-WEMUVCOSSA-N 533.024 6.840 50 10 KKGE CCOc1cc(/C=N\NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 101907931 VWNBIRAZVMOXAB-QXPFVDMISA-N 573.671 5.019 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102664419 YGYGUTJLTNPRAW-AQTBWJFISA-N 531.521 6.445 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)cc1Br 128796496 YSLNIYLUZIWZTI-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE O=C(c1ccc(Cl)s1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 139019290 BKMVHYAZZCYHCU-DNTJNYDQSA-N 527.834 6.424 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OC(=O)c1cccc(F)c1 150414838 RNOMZXSPXXBUOT-IPBVOBEMSA-N 659.100 5.870 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 150430410 FVGMRMXHELFXFM-PCYMAAINSA-N 702.302 5.977 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150460883 QUQIBPRBPBVPTP-XMMPIXPASA-N 628.937 6.817 50 10 KKGE CCOC(=O)c1cn([C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C)c2cc(F)c(Br)cc2c1=O 202686859 ABRLFILUFAWDIN-FQEVSTJZSA-N 514.508 6.299 50 10 KKGE in-vitro C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205654307 BLKVIPMRYBNBPZ-YDJDLLCHSA-N 510.546 5.106 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205777615 DSWWTULHPLGXRN-RBABYGSYSA-N 600.656 5.202 50 10 KKGE Cc1cc(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](O)c2ccccc2P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2cc(C)cc(C)c2)c1 209147420 BUMSPXJFXAIWLY-FAIXQHPJSA-N 731.677 9.615 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214254915 ZBZAAKJCVNDKTD-DCLYXHRQSA-N 583.714 5.105 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)c(F)c1 234989111 BVAGKCKDJIZNCJ-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1 234995713 IMRAOMPLOFTRHW-CQSZACIVSA-N 513.849 6.467 50 10 KKGE COc1ccc(Cl)cc1C(=O)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 245285689 YLEZSOFMMFBNRH-UHFFFAOYSA-N 500.982 6.271 50 10 KKGE COc1ccc2cc(C(C)=NNC(=O)c3ccc(NN=C(C)c4ccc5cc(OC)ccc5c4)cc3)ccc2c1 254590865 ZUIFVBHJJBZFJY-UHFFFAOYSA-N 530.628 7.000 50 10 KKGE CCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254751951 IMJVEFLNPPPXKZ-UHFFFAOYSA-N 522.693 7.709 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cccc34)CC[C@@]1(C)C(=O)[C@@H]2Br 256019750 BPJGYKSUGQNXHG-HTNBNMOKSA-N 672.458 7.035 50 10 KKGE CC1(C)[C@]2(C(=O)N[C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 256022788 AGSGUFCWCBDQMN-RGFDKFPQSA-N 540.178 6.003 50 10 KKGE O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NN=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 263627977 HIZSBILHFGFPKY-UHFFFAOYSA-N 562.976 6.970 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1083902028 OVPSGXBSRQARPN-UHFFFAOYSA-N 639.506 7.475 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1083999706 JKOZOCWQJCVZHA-UHFFFAOYSA-N 547.508 5.570 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084078524 LZYNYZKRCXGEJT-UHFFFAOYSA-N 581.094 5.110 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084191826 LGYLORKEYXYSAZ-ZUWWUPDZSA-N 527.690 6.551 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 1084272722 ZIUVSTFMANGFEU-QFIPXVFZSA-N 531.834 5.654 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084287765 CPERVRKREVRGSH-UHFFFAOYSA-N 586.611 5.906 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1Cl 1084290531 LDZYJXNMYPCWFB-UHFFFAOYSA-N 508.405 6.526 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 1084478590 XUYRNMTUIAGYRZ-UHFFFAOYSA-N 582.292 7.106 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc(C)c3)cc2)c2ccc(C)cc2)cc1Br 1084486535 WWPNLISNQJMSOB-UHFFFAOYSA-N 606.542 6.234 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(I)c2)cc1 1084543575 CWQRIDPLWDNLOE-VWLOTQADSA-N 572.443 5.541 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2 1084618039 NFPAUEWBNMJHJB-UHFFFAOYSA-N 541.784 7.319 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1614356753 PJJLVQMJVBMKCG-VJQVYVLQSA-N 555.315 5.912 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747089 CZLFIVCPNNTICW-UHFFFAOYSA-N 529.596 7.256 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Br)cc2Br)c2cc(Br)ccc21 1772752423 KGGAQOQCTBPXLA-UHFFFAOYSA-N 602.121 5.410 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688210 NBRPSHYUWMAVLG-MUUNZHRXSA-N 524.596 5.481 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865695047 IKKKGDYIHFARFJ-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865696556 HMAASDIOEUFZIF-NRFANRHFSA-N 516.495 5.495 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697116 XKHYUYHLKPRJCQ-JOCHJYFZSA-N 549.812 5.888 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702517 BGTOOGYYNNVMSY-HHHXNRCGSA-N 563.460 7.127 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865703414 VIZBTNDWLSLEJM-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705634 ANFZBDUKKQGEBG-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707058 MVFHDSYKWQOYAM-JOCHJYFZSA-N 579.838 5.896 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707448 XEYYIWBRHYUQFT-GDLZYMKVSA-N 538.095 6.782 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129181 GSUPFRACDUSCFZ-FYJGNVAPSA-N 535.463 6.779 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866571926 FYBDGSMRSOLKQK-AREMUKBSSA-N 514.676 5.731 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](C)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867169673 OMNYYEYYXRJDFD-WXTAPIANSA-N 536.053 5.698 50 10 KKGE CC[C@](C)(NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207069 GFVIZDSCHZKVNB-CPJSRVTESA-N 532.504 6.084 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(c4ccccc4)[C@@H](C)C3)n2)cc1 1868527670 FSQQIZDJNHYTER-GOTSBHOMSA-N 536.705 6.963 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 1872755003 UIFKVGASMVDCEB-GYHWCHFESA-N 505.640 6.128 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)ccc1OCc1ccccc1 1872792653 KHRKKASKJUTIGW-VXLYETTFSA-N 523.441 7.777 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 1873795740 ZQFZRKQLZHRZNT-UXHLAJHPSA-N 501.599 5.339 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915288950 OLXNZVMUSSTKJN-AWEZNQCLSA-N 524.116 6.335 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)c1ncc(C(F)(F)F)cc1I 1916342106 KTRQBEVNTQNYGI-CQSZACIVSA-N 529.138 5.122 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923072702 RATWCKABTAONGJ-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Br)s1 1951015990 HNJSBDWAIGUKGH-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE CN(Cc1cc(Br)ccc1Br)C[C@H](Br)COCc1ccccc1 1982458648 ZGQCUUGRZKIHAC-KRWDZBQOSA-N 506.076 5.624 50 10 KKGE Clc1nc(Cl)n(-c2cc(Br)ccc2I)c1CBr 2006648287 QWRXFMBPUOXBJQ-UHFFFAOYSA-N 510.782 5.441 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Cl)c1)Cc1ccccc1 2009621545 HDPSSSHNDDVQKU-UHFFFAOYSA-N 521.908 5.558 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)s1 2029233685 WJSTVYOYVPJBPR-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)cc1Br 2034562132 POIFEZQAGAAINM-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Cc1cc(C(=O)C(C#N)=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c(C)n1-c1ccccc1F 2053575430 YKBYAMCSOUYKOJ-UHFFFAOYSA-N 509.493 6.151 50 10 KKGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)C34CC5CC(CC(C5)C3)C4)=C2N2CCOCC2)cc1 2053612150 YPKSXDINKYNPFS-UHFFFAOYSA-N 516.730 5.615 50 10 KKGE CCCCN(CCCC)c1ccc(C=Cc2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)O[C@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 2054622914 SXFGKYGUYHUANQ-QLKFWGTOSA-N 744.883 11.527 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC(C2CC2)C2CC2)c1Br 2206394878 JQWUUHWBWASXEQ-SNVBAGLBSA-N 594.805 7.999 50 10 KKGE FC1(F)CCC[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397998 PKDXKEMTRGVZRL-BQBZGAKWSA-N 604.747 7.998 50 10 KKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206400062 OZSHVPZDXAZLHQ-DNSOKLHBSA-N 598.793 7.378 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 2229147429 KDKZXVZJPPZHJK-MRVPVSSYSA-N 572.769 7.974 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1Br 2234468192 BPDOKMARUHVZOC-SNVBAGLBSA-N 542.345 8.334 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)sn2)c1 2252831997 WTBYOHITDMGNGH-SECBINFHSA-N 504.867 6.109 50 10 KKGE Cc1sc([C@H](Br)c2cccc(Br)c2Br)c(Br)c1C 2253474221 FFRKQGIBVZIBLH-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2C)cc1I 2257364058 FBSPJQPVZDLWTB-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Clc1cc([C@H](Br)c2cc3sc(Br)cc3s2)ccc1Br 2278102041 QMBQRRSFGLIGDA-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1ccc(I)cc1 2285075795 WMPGEYWLTZDOQK-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198280 PYJOODPQRLDIHC-XMMPIXPASA-N 532.463 6.131 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198295 RKEREHWXUBQHMR-XMMPIXPASA-N 522.457 6.045 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)NN=CC(Cl)=Cc1ccccc1 2293700541 FZQREWNAWBVLGA-UHFFFAOYSA-N 542.879 6.715 50 10 KKGE CC(C=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br)=Cc1ccccc1 2294780508 MMYOLYNQVIXWJM-UHFFFAOYSA-N 508.254 6.228 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC 2295934397 PXKOGWZQBUWFER-UHFFFAOYSA-N 546.048 7.005 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545782 FJYPDGDCBVXKLK-UHFFFAOYSA-N 536.857 5.937 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 2313557237 XSDSKSMCFPCORF-UHFFFAOYSA-N 540.461 6.504 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 2314772724 QJFWLAJRZLBDKH-UHFFFAOYSA-N 601.881 6.309 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 2321721552 IGAPUWJWHABESL-OAQYLSRUSA-N 516.038 5.415 50 10 KKGE Cc1sc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)nc1-c1ccc(Br)cc1 2329663644 NLMHIEBNHRPJKR-UHFFFAOYSA-N 503.219 6.189 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699382 NNDIEGOAQIXPFI-UHFFFAOYSA-N 509.425 6.517 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336048100 RBGZISWBOLZCGI-IBGZPJMESA-N 502.580 7.444 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360494080 TXZIFXPJIMWUEP-ZDUSSCGKSA-N 505.834 7.450 50 10 KKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1scc(Br)c1Br 2366230546 QUECEUGJTHCFMC-QMMMGPOBSA-N 502.091 5.933 50 10 KKGE Clc1ccc([C@H](CBr)OCc2ccc(I)c(Br)c2)cc1 2377621768 KSGLUGCZRXAOED-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 3073162 MQBHFQGJQOKJBD-UZWMFBFFSA-N 530.609 5.976 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)sc2c1CCCC2 29492398 NYXAUBVHZAELMY-RNPUWLSKSA-N 600.744 7.705 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1 33657350 JTJWCCRGXXZMTF-QPSWJSTDSA-N 508.430 6.367 50 10 KKGE CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc(O)c4ccccc4n3)cc2OCC)cc1 34988359 WMRPKMNORCCGJR-HKWRFOASSA-N 510.550 5.214 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 38660141 OYSGCIRCFCESEO-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38686077 HJTRTEGDWUJYAC-SANMLTNESA-N 523.416 7.000 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 38700534 GCPMUOGGKCXEFE-NDEPHWFRSA-N 524.573 6.284 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701156 XJYBFJYUDTUPNL-NDEPHWFRSA-N 526.564 6.887 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc(C)c1Cl 40822830 RJRSHFTYFQIFKQ-INKHBPHZSA-N 527.020 7.215 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1 100154516 XLCDRSLGRVVKJY-UHFFFAOYSA-N 556.910 5.166 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)c(Br)c1 100229647 OQLBMEYHWXSWMN-UHFFFAOYSA-N 583.104 5.421 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240903 HNMHANWOMUCLRN-IEQIIXMPSA-N 546.490 5.754 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246176 SLJYDLRHURGLCQ-NLTRVXJZSA-N 548.462 5.831 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101303405 XQKFODRAJLUUBI-RDRPBHBLSA-N 544.586 6.036 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 101340176 LVXLQQUHVFGSOC-MTDXEUNCSA-N 576.628 5.921 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101362120 UIDVGFSVLPQHAM-NRWLJYDGSA-N 535.427 7.009 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101369118 QKGGZNRHYCNADQ-GOSISDBHSA-N 597.290 5.356 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101374478 MKXFZBBMHPDVAZ-PMERELPUSA-N 607.501 6.619 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 101377635 BHGRWRBWUBZDSN-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101378395 CMKAPDQQANNPHE-QFIPXVFZSA-N 574.502 6.154 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 101735068 TZDFUIBPNHBOSZ-PXLXIMEGSA-N 537.012 5.937 50 10 KKGE N#CC1=C(N)OC2=C([C@H]1c1ccccc1Br)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 102066217 YSPZASRKMSHYET-QFIPXVFZSA-N 538.398 5.115 50 10 KKGE Cc1ccc(C)c(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1 102780344 FZTNSNQBOTUCLA-BMSZIDLJSA-N 608.163 7.851 50 10 KKGE Cc1c(Cl)cccc1N/C(SCC(=O)Nc1ccccc1OC(F)F)=C(\C#N)c1nc2ccccc2s1 102931711 YZXURJTYAZAJQA-JLPGSUDCSA-N 557.047 7.536 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4ccc(Cl)c(Cl)c4)c3C)sc3c2CCCC3)cc1 103795306 ZDHWNTSIORMXLN-PXLXIMEGSA-N 603.575 8.448 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1 103796836 HVLOYYHFMWTPAO-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 103878304 OELLZXSIYQHQGR-VWJSQJICSA-N 602.312 7.972 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(Br)cc1 150475522 XTYAATNFZGKKDG-QGZVFWFLSA-N 649.539 7.919 50 10 KKGE Fc1cccc(CC(CBr)(CBr)c2ccc(Br)cc2)c1Br 157925591 FVUVXZNJGXZVDX-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)CC(=O)N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 163777275 LHMLAZXXRXFKSK-WXLCFFRTSA-N 636.837 6.845 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205776300 GCCIFUPPMCBJJZ-QVKATGLSSA-N 630.726 5.329 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(SCc4ccc(C)cc4)s3)ccc21 254378173 MWFKAJARMYPECK-UHFFFAOYSA-N 531.732 6.509 50 10 KKGE CN1/C(=C\C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C(C)(C)c2ccccc21 254382419 BCGDZCQUOIPTPP-UHSGYAGPSA-N 500.602 6.027 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 254521051 QSIKETLMFYAUIR-NKGGCWJSSA-N 639.709 6.296 50 10 KKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(C(=O)c2ccccc2)cc1 254836634 RWYZLBIZFPZWFW-UHFFFAOYSA-N 530.502 6.161 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2OC)cc1 254838866 UXDFOXMWISJZHV-UHFFFAOYSA-N 518.610 5.664 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254847861 CGGFKKVPZOFIJC-NLRGBRNTSA-N 583.622 5.016 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 254851536 OUBSJZNXCKQCTJ-FYIPRRRJSA-N 515.573 6.380 50 10 KKGE C[C@@H]([C]1C=CC=C1c1ccccc1P(c1ccccc1)c1ccccc1)P([C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 585658281 CGFLFABMIGBJIL-NUEQXIPLSA-N 573.721 9.220 50 10 KKGE COc1cccc(OC)c1SSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 607695004 DZTHFLRLDQLVNK-NRFANRHFSA-N 511.621 5.436 50 10 KKGE COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 725387742 FGWFVKUYDAHDPI-AUWJEWJLSA-N 558.157 5.067 50 10 KKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c(C[C@H]4CC(c5ccc(F)cc5)=NO4)c(OC)c4c(c3OC)OCO4)c(-n3cccc3)c12 1081098375 ZLDYBBVKRIIMGT-QHCPKHFHSA-N 685.734 5.926 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 1084000444 BMNCBJXQNAKIEB-JOCHJYFZSA-N 578.834 5.496 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084046399 BBWPYGXNKUKYCY-UHFFFAOYSA-N 520.438 5.128 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C=NNC(=O)c3ccc(OCCCCCCCCCC)cc3)c(Cl)n(C(C)C)c2Cl)cc1 1084076930 MBOOGHOJQGSGGV-UHFFFAOYSA-N 782.898 11.943 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084231273 LTCAHBBKMNIAQS-UHFFFAOYSA-N 567.223 6.406 50 10 KKGE CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=NCCSSCCN=c2sc(C(=O)OCC)nn2-c2cccc(Cl)c2)s1 1084304144 TVUOYCHYALBLOD-UHFFFAOYSA-N 685.706 5.724 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 1084349126 FPZAJIKGDJRVAH-UHFFFAOYSA-N 503.599 5.363 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084375205 DCXWGUUUAJTCKT-RUZDIDTESA-N 621.210 7.640 50 10 KKGE N#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084385068 QELHAFIFBXKAQB-IZZDOVSWSA-N 624.003 5.651 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1084502632 XCTKIHLOJZBBSO-DEOSSOPVSA-N 559.432 5.538 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653268 GKHHSMXFUCCSDF-MHRJKILUSA-N 539.701 6.512 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746875 IARNSVFYYVVNQK-UHFFFAOYSA-N 515.353 5.455 50 10 KKGE CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848432706 QPYJMHIDEUSFNK-PZVXMVRISA-N 807.813 7.094 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1O 1865681966 BZQVCANSMHMVIK-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(Br)c1 1865683626 GJPLZDREZKWVFZ-NRFANRHFSA-N 548.238 6.282 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1865685457 IYIYDEKROBUNCW-MRXNPFEDSA-N 517.697 6.268 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865687321 OJPOTRWHEMBVTK-WJOKGBTCSA-N 554.650 6.713 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 1865688838 CGYYDUGPBFCOSI-HHHXNRCGSA-N 565.432 6.492 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865691335 PSIKOXGJQXKGMS-QHCPKHFHSA-N 544.549 6.275 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692534 GVIUFNHTKNBSTR-NDEPHWFRSA-N 559.497 7.296 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865696211 YMLNOLJZTAVBHH-RUZDIDTESA-N 512.997 5.877 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865697096 XAAJFFUGORULTR-HSZRJFAPSA-N 561.004 6.789 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCCCc1ccccc1 1865697509 UXKJZOYAAFBIHW-LJAQVGFWSA-N 506.606 5.478 50 10 KKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865711791 IEAPMYKSLZVLTB-SSEXGKCCSA-N 540.623 6.463 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712144 QLZIGDNVHIWGKB-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866658391 RKOPOBVSSLLLRG-AREMUKBSSA-N 560.676 5.962 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc43)n2)cc1 1868544978 QPKZTIHQVCIRHV-UHFFFAOYSA-N 505.691 8.187 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1OC 1868564800 FHDMPKCPWKHHCJ-UPVQGACJSA-N 540.649 5.575 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(Cl)cc2)cs1 1872747953 ALJYXGCUGGZKLK-MNDPQUGUSA-N 510.240 7.531 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCC(=O)N(CC)CC 1872781353 APTBIHZSQMKWMV-FYJGNVAPSA-N 521.639 5.537 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 1898078455 NXPUQEINEJXUIO-QWWZWVQMSA-N 540.669 5.703 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923066017 KQIUGSNLVYQRPR-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Brc1cnccc1C[C@@H](Br)c1scc(Br)c1Br 1924070813 OTTLEDKQOAOSOW-SSDOTTSWSA-N 504.867 6.109 50 10 KKGE FC1CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924615704 FIBJHMFTSWMSGS-QIECLKSESA-N 513.890 7.000 50 10 KKGE CCCC(C)(C)OOC(C)(C)[C@@H](CC)[C@]1([C@@H](CC)C(C)(C)OOC(C)(C)CCC)C[C@H](C)CC(C)(C)C1 1933223690 SJVUGAIYXOTMTL-ZLFFOLKFSA-N 526.887 10.482 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@]23CCOC3)c1Br 1950635779 ZPIXADIOJFFGOE-DEHACQHWSA-N 509.883 5.898 50 10 KKGE CC1(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025778919 AHYZWUGWXXIAEJ-MRVPVSSYSA-N 554.740 7.363 50 10 KKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2026221143 JMTZDUPECWNLBM-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2037838758 HAYVDHBKYABBBI-UHMMXCHCSA-N 645.174 11.764 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1C 2059312411 LCLRXPCJKMWLGJ-UHFFFAOYSA-N 515.517 5.521 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(I)ccc1Br 2104781685 JOYTUYSUXYYRRO-GFCCVEGCSA-N 534.844 7.039 50 10 KKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2141469227 SZSKLKGGQCHHPS-BVJGAWNJSA-N 582.750 6.598 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2142287879 HAQWYBHWTFJEAO-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2203003049 QAUYOSJREUNEJC-ZDUSSCGKSA-N 548.294 7.120 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396755 AQXBOLVUGLYHRK-NSHDSACASA-N 706.605 7.965 50 10 KKGE Fc1cccc(F)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398303 TVLUTVBCFVINLO-ZDUSSCGKSA-N 598.699 7.499 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2206571869 VBDPYGMXIMGMHU-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Cc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1I 2212992368 MKSZQGDLPDZFNV-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509237 BVVWZZZFGAMQJC-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE C=CC[C@]1(CBr)CCCCN1c1ncc(I)cc1Br 2272105292 GOCKMYFDTREGBT-CQSZACIVSA-N 500.016 5.149 50 10 KKGE Fc1cc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Cl 2277801249 LWBOGUYQMCHTIP-ZETCQYMHSA-N 511.863 7.351 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(F)cccc1I 2282782170 AOCVLQUQFJFGQA-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2284738942 RDPOTZRYMYKLFR-CPCISQLKSA-N 596.777 7.132 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)ccc1OCCC(C)C 2296540299 NVSMTEOXBRVARG-UHFFFAOYSA-N 501.634 7.224 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 2313571103 NKDLNBYEIATNAE-UHFFFAOYSA-N 552.255 8.034 50 10 KKGE N#CC(=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313624604 XJBMWABUABNBLU-UHFFFAOYSA-N 532.369 5.543 50 10 KKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 2313630872 GULXOPPCXOPPQD-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1nc2ccccc2[nH]1 2314414731 KFZWRDLZAQFYPF-UHFFFAOYSA-N 511.560 7.198 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 2314450674 KZGFYXKFCLNCBG-UHFFFAOYSA-N 504.546 6.238 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592183 NLRBNXNSEDRVSN-NDEPHWFRSA-N 509.675 6.746 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592222 OEFSZTNYVHIQAD-RUZDIDTESA-N 502.039 6.276 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592561 XSHCRZCJHYDCLW-RUZDIDTESA-N 518.038 5.976 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 2314617583 HEFSJRXDMCFZNK-UHFFFAOYSA-N 508.622 6.111 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2csnc2Br)c1Br 2315442017 OFYQVGNFPCPTDA-SSDOTTSWSA-N 543.275 6.707 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(Cl)cc2I)c1 2316774355 IEXCLRRKYKKRHV-SNVBAGLBSA-N 524.418 6.700 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699499 MEWADAXTLIXFEB-UHFFFAOYSA-N 526.368 5.808 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 2331351943 OCEWJINHCAAUED-UHFFFAOYSA-N 511.775 7.156 50 10 KKGE FC1(F)CC[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2335362621 BHMPPWUCYKZYGI-RITPCOANSA-N 590.720 7.608 50 10 KKGE COC1(C(F)F)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2343013762 INIPXHJEXDQYKL-YQAWMQRYSA-N 547.879 6.532 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1Br 2364123650 WRFXYASNWYWOQZ-SNVBAGLBSA-N 560.398 7.272 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 20468131 ZOCYOQCMSSJFGU-RLVADGNTSA-N 525.476 7.132 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 38679257 SONLNSIXZBPJCT-CRYYWNKWSA-N 518.541 5.214 50 10 KKGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 39858817 BKVGKPOZXDEQID-SSZFMOIBSA-N 506.440 5.060 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 59679910 LWLITMOBRYTNDI-VFLNYLIXSA-N 517.796 7.135 50 10 KKGE O=C(OC[C@H]1O[C@H](Cl)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 72131055 XVLSIQHWHHLLPV-LDVJMBRRSA-N 584.235 6.219 50 10 KKGE Oc1c(-c2ccccc2)cccc1-c1cccc(P(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1 100427858 PEYAYNDCLXEMPP-UHFFFAOYSA-N 502.447 7.041 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245241 MUMUOAYVTXEWNL-NNHPPCHPSA-N 586.035 7.131 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245322 YMDWCWXWPPLIOC-DHHFVULLSA-N 536.484 6.984 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 101375262 BJFYOBMRZYQZCV-PMERELPUSA-N 526.633 6.790 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381205 WEYSHEBDVZAHHF-PMERELPUSA-N 607.877 7.428 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OC(C)C)cc5)ccc43)c2)cc1 101382202 YWCMGJFGFMFISV-JGCGQSQUSA-N 546.623 6.799 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382625 BDWPSUSOZXVJKF-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384629 VSVMMFJQWBTTNJ-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385285 VGQUOOLYKCSDQD-SNSVSFJOSA-N 574.633 6.428 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386179 XUQRGXWZPOZPAV-NFNOPJSLSA-N 621.133 8.062 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1Cl 101393857 VOYBHPZRXYWVKB-AREMUKBSSA-N 537.443 7.172 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101395251 HYYNHNCQDJHZSB-SANMLTNESA-N 569.441 6.627 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 101395434 MHISGYKPLLEREH-MUUNZHRXSA-N 549.023 6.364 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)c(C)c2c1 101398166 KKMXYNIOADOBED-WJOKGBTCSA-N 542.591 7.066 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(C(=O)O)cc1 101704581 VJJWBSPLELMHRB-HYARGMPZSA-N 551.426 6.943 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1C 102933030 CNAPXVDAGUIIEE-NDENLUEZSA-N 556.375 6.262 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 102972389 JYWKEWCGPNSEFA-LGMDPLHJSA-N 554.024 6.951 50 10 KKGE CCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 105064057 HBVASFPJFCDZRC-FEZSWGLMSA-N 502.703 7.699 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432976 OMEUQXLSDHBSML-AREMUKBSSA-N 707.435 7.869 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 162429963 ZBQWNRNYQBSENX-FJEPWZHXSA-N 658.522 5.104 50 10 KKGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c3ccccc32)cc1 163295450 WEXHGFZXSZEBSR-GZZLJNBRSA-N 630.768 6.860 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 164619662 MWPAAURQDXAFOK-HASSKWOGSA-N 668.389 8.192 50 10 KKGE C=C[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1 170154380 QDCWUTLAACGNPT-UHFFFAOYSA-N 927.611 10.099 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](COC(C2CCCCC2)(C2CCCCC2)C2CCCCC2)O[C@H]1N1CCC(=O)NC1=O 204906797 NXFLDYPAAWUSED-GEIIOTBESA-N 620.948 6.901 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 205671347 QDBMOEQIBVGREI-KIJMZOAMSA-N 592.623 6.649 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 214407170 JUXGGCXTASTVGG-YUMHPJSZSA-N 564.592 6.399 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2I)cc1Br 235971214 IAPBMOFZRXVXQR-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)sc2Br)cc1Br 235974169 HCBQMLZKDMJBAF-SECBINFHSA-N 509.908 6.890 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 236061783 BHZBJKBVXPPKAN-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CCCNc1ccc(Cl)cc1 253573674 RRYFJPOXCYBZOE-XBQJKBNESA-N 575.201 7.648 50 10 KKGE C/C(C=NNC(=O)CNc1c(Br)cc(C)cc1Br)=C/c1ccc(C(C)C)cc1 254296496 UKMPYBLTJCJTGG-OYHMHQBOSA-N 507.270 6.261 50 10 KKGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 254396584 SFBPQKWQVTWKNM-UHFFFAOYSA-N 553.663 5.387 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254660172 YQJYZQUTXPVVBR-UNTKXZHKSA-N 639.577 5.344 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254700672 JMQXIAUFLLVGJM-UHFFFAOYSA-N 557.676 5.269 50 10 KKGE CCc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254759961 UPOAUOLLNKNMPO-UHFFFAOYSA-N 502.665 5.131 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254798040 SPUAPIRMZDCQAJ-UHFFFAOYSA-N 501.627 5.766 50 10 KKGE Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=Cc3sc(N4CCOCC4)nc3-c3ccccc3)cc2)c1 254861051 ZJQDIGGWXCTKOY-UHFFFAOYSA-N 554.716 6.421 50 10 KKGE Cn1c(-c2ccccc2)c(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 254873692 NDCKPPVYGYTBBO-UHFFFAOYSA-N 514.632 5.472 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@H](Cl)C23CCCCC3)c(I)c1 394316010 ATZXWWULSDJPOI-QWHCGFSZSA-N 537.006 6.258 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 504672029 RWIUJRXXJFJUFX-CJXYESMESA-N 701.893 5.876 50 10 KKGE CCOC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)OC)[C@@H]3[C@H](O)[C@H](Br)[C@@H]2C1 605693817 XUAVJFKSCMFOON-SZUXHNFMSA-N 557.566 6.121 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1 725435566 JZGVDKALYVOWLQ-UHFFFAOYSA-N 560.561 7.671 50 10 KKGE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085438 AVEUCVNGXYJNAM-UXPBPJRISA-N 673.041 6.524 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084094548 LHEKTYGOCUBHBT-UHFFFAOYSA-N 554.477 8.102 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084317764 AOLCZMFLJGMSFC-UHFFFAOYSA-N 690.063 7.978 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084434087 KZGZUNXZGVCKHA-UHFFFAOYSA-N 548.495 7.692 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685990 PBHJYPNMYARGHP-NRFANRHFSA-N 558.252 7.380 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686220 SHTQNJHGKULQOJ-NRFANRHFSA-N 523.807 6.726 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687841 BKGMNIMPSHGDPD-OAQYLSRUSA-N 509.404 5.218 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865691159 KYIPJWVSFYEFMK-OAQYLSRUSA-N 516.495 5.495 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865694267 RXUMDJQLJHDYSZ-LJAQVGFWSA-N 506.606 5.744 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865696121 CPTFKZXHZVIEMA-QGZVFWFLSA-N 569.765 5.932 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701044 KIQOSCFDXCHVSR-AREMUKBSSA-N 531.443 6.929 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703045 LNSQKSCGGKVSED-SANMLTNESA-N 517.416 6.344 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865703377 UXADPAZAFJNUBP-LJAQVGFWSA-N 520.633 6.247 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705896 ISWNSMFOBKWMTM-AREMUKBSSA-N 527.024 6.202 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706724 DEQODOIPXVRTML-HHHXNRCGSA-N 564.086 5.342 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865709052 MLUWRFZCQLVZJS-HHHXNRCGSA-N 543.668 5.214 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709397 BJJHNOSPWKSXRC-XMMPIXPASA-N 516.960 5.626 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865711868 JYZRXPGVRFOPEG-JOCHJYFZSA-N 522.483 5.288 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868253770 SMJUVXMVYFCUIK-JOCHJYFZSA-N 503.628 5.151 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(C(C)C)cc4[C@H]3c3ccccc3)n2)cc1 1868320086 AVSLOLNVCOJSRA-PGUFJCEWSA-N 567.762 9.044 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868342777 ZLSPPVVBCMDKJY-NRFANRHFSA-N 522.516 7.065 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)cc1 1868505002 BXCYMJZIESHQLK-MGBGTMOVSA-N 571.706 7.630 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc(Oc5ccccc5)cc4)CC3)nc(-c3cccnc3)n2)cc1 1868566159 VGWSWDASFCMDAG-UHFFFAOYSA-N 557.683 6.974 50 10 KKGE O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc(OCc3ccc(CCl)cc3)cc2o1 1871436630 IHVXQIOGHVVGOE-UHFFFAOYSA-N 523.766 6.647 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1F 1872752517 HDAMJOKVQIPAPS-UYRXBGFRSA-N 521.364 5.696 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c1 1872754675 DECPZGUPWXZTEW-LVWGJNHUSA-N 517.607 5.809 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1C(C)C 1872793146 KRCAJQFXQCHKBA-OEAKJJBVSA-N 515.078 8.547 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1Cl 1872794694 QMHWUOFTZDWICF-LPYMAVHISA-N 503.023 7.432 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1C 1872795112 NUYGQMOAZLYPNQ-CIAFOILYSA-N 521.469 8.386 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)n1 1873920984 OOPLULHQBQUKPV-VYIQYICTSA-N 521.598 6.494 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915112023 XSJXQSJWDZKUOJ-LBPRGKRZSA-N 510.089 6.089 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1sc(Br)cc1Br 1922906686 MBSXTIJEWOEJNM-SSDOTTSWSA-N 510.896 6.285 50 10 KKGE Fc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924585340 KOTLALVWWJMYAC-SSDOTTSWSA-N 521.869 6.853 50 10 KKGE Fc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924585341 KOTLALVWWJMYAC-ZETCQYMHSA-N 521.869 6.853 50 10 KKGE Fc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924585820 QRLYKJWXIWBEPU-QMMMGPOBSA-N 521.869 6.853 50 10 KKGE CCCCC[C@H](C=C[C@@H]1O[C@H]([C@H](CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C 1933246585 GHSCHPFIJMZDGG-LVIOGHJBSA-N 659.218 9.435 50 10 KKGE N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)=C1Nc2ccccc2S1 2042440137 VJWFHHPIXHHYGN-UHFFFAOYSA-N 503.559 5.827 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2csc(I)c2)c(F)c1Cl 2081845924 XAVLQAXVKBZZGT-VIFPVBQESA-N 528.381 6.531 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)c(Cl)cc1F 2113350876 JRFBJZBIUWHJMG-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)ccc2I)c1Br 2138850484 MLMMCRBBPHUVOW-CQSZACIVSA-N 579.295 7.262 50 10 KKGE Cc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2138852578 OKEPJGDUELDCII-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2OCCC[C@@H]21 2141468596 LOAOIQRVFYRWBR-ZLRYRUSLSA-N 538.299 6.442 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCCC[C@@H]2C3)c1Br 2141468911 PBWVCISRESRAKR-ISEFBEROSA-N 580.778 7.753 50 10 KKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141475118 JEPRTPBZASQQIB-CIQYLNAISA-N 584.766 7.130 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)c(Cl)s3)c2O1 2172558742 AGAHOEMMWXPZJF-SREIQFSDSA-N 501.465 6.734 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]1C1CCCCCC1 2199993259 ZIYNORXLGVJXDV-CKYFFXLPSA-N 505.541 7.969 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2F)cc1Br 2202348514 ZGGSNONISIYIHA-CQSZACIVSA-N 534.388 6.339 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(C)c1I 2203828606 FZXMFGQQRXTKFI-AWEZNQCLSA-N 510.007 6.163 50 10 KKGE CC1(C)CO[C@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394496 HJBPJJGIJDWFAQ-GMSGAONNSA-N 554.342 7.222 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206405284 INZKXJYJZIDKQE-CQSZACIVSA-N 550.285 7.512 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1sccc1I 2213491575 GIRUKGNGWURQPA-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(I)ccc2Br)c1C 2218787147 GUWSNQVOGUHMGA-NSHDSACASA-N 520.455 6.823 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)c(C)c1Cl 2232530296 QKSOFEUUINFINZ-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2277961738 XPIIPIYGRVQELF-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@@H](C)C2 2296500537 WLIGUPMRTXETTH-CQSZACIVSA-N 529.445 7.162 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296721744 MZAUUVJJOQEOHQ-UHFFFAOYSA-N 578.488 6.194 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1 2297453538 CSHIHBBBWFFRMD-UHFFFAOYSA-N 532.431 5.529 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2300290880 PLXKKSAPLOBYMI-INIZCTEOSA-N 515.043 6.008 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 2313518192 RHYIKRQEHOQGBJ-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611467 UVTIUZUYRSWCNN-DEOSSOPVSA-N 611.768 5.742 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314618388 MRRBPBDQESKXKP-LJAQVGFWSA-N 640.743 8.625 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1Cl 2314618452 NVNXWYNNNYDTBE-UHFFFAOYSA-N 559.066 6.000 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 2314643403 XHGNITZGCVJKPH-HKBQPEDESA-N 518.544 6.242 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 2331281754 OEXMTQMSJWTCFU-UHFFFAOYSA-N 507.571 5.607 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 2331345837 CMQIFLZPORLZSB-UHFFFAOYSA-N 521.897 9.069 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331349327 KTHIAJAVXGZJBQ-UHFFFAOYSA-N 515.635 6.461 50 10 KKGE ClCc1cccc(OCc2ccc(I)c(Br)c2)c1Br 2349803985 COMPLPANGCHSIK-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE Fc1cccc([C@@H](CI)OCc2cc(Br)cc(Br)c2)c1 2362236984 DSYIPTHZXCUJRG-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)Cc2cccc(Br)c2)c1Br 2362254788 ZALBKBULAAQFDZ-JTQLQIEISA-N 505.834 7.289 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(-c2ccccc2)nc2ccccc12 2702330 ODCDORRUJXBWCS-LGJNPRDNSA-N 525.200 5.896 50 10 KKGE O=C(CSc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1-c1ccccc1)N/N=C/c1ccccc1O 8400209 ZBNXYMFCEGPPQD-IPPBACCNSA-N 591.512 5.825 50 10 KKGE O=C(NN(c1ccccc1)c1ccccc1)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 33514612 AQBWVSDARGPENQ-UHFFFAOYSA-N 506.609 7.689 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 38660388 YMBZTHSCWOPJMF-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 38679936 IFGLDHBACMGXQU-DEOSSOPVSA-N 509.389 6.610 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)c(C)c32)c1 40811372 RTJGUCUUVHSXCC-PARHTJLUSA-N 505.578 7.035 50 10 KKGE Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@]2(C)OO[C@@]1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O 85552414 IEVJARSTOGQGJT-LQFQNGICSA-N 654.624 5.403 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1C 97657848 PNBZQXWUTUPQJZ-GLSAMTQTSA-N 519.001 5.589 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100236172 MGAGDFSUQDBCFV-HODYDLGBSA-N 596.478 6.027 50 10 KKGE CC(C)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100921923 UHLGNTHJWCOSTN-ZOCIIQOWSA-N 522.119 6.434 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243264 IFCYFNCDHRPOER-YJTZCDGXSA-N 513.638 6.253 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339239 YPRYZYXGCMORCX-ZTKZIYFRSA-N 604.732 6.503 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101340492 MMZJJOQSIJMAMP-MEAKTTDOSA-N 544.586 5.794 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 101374765 YTILZOKWFHWJJM-PMERELPUSA-N 542.632 6.490 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385207 LUNRBZCEGAASPY-MGBGTMOVSA-N 578.621 5.794 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385491 ZHYOSNIOMNUPRU-JGCGQSQUSA-N 567.041 6.602 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c1 101388686 SEIPJZPRGVOYSU-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101393010 LKWMCVDZXTZKHH-MUUNZHRXSA-N 538.556 5.418 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101395274 CFJNOKNOHXRAAK-GDLZYMKVSA-N 573.045 7.328 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 101397666 QXSZKJCTPCJAMT-NDEPHWFRSA-N 607.877 7.672 50 10 KKGE CCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 101727461 JVQIJUCNHHFKBL-OPEKNORGSA-N 554.919 6.266 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccc(Br)cc1 101965580 TXZBQFVEEUJDLM-IPPBACCNSA-N 604.295 5.975 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)ccc1OCc1ccccc1 103649386 ZHTFSJDMFJTZEQ-NHDPSOOVSA-N 584.019 7.539 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 103876721 PDVRELVUPPDJGD-UVHMKAGCSA-N 523.339 5.245 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 150406373 WOOGGGPJCQCSEL-UHFFFAOYSA-N 627.127 5.555 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 150460275 MUJOXRGACXIILZ-YJQDUFNZSA-N 662.768 5.643 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214315980 GSMBSGBCZNJZEV-DXJNIWACSA-N 580.644 6.812 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232345512 LTWIDAJFTBKJKA-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(OC)c1Br 234975897 SUTWDIXHYLMHCD-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3cc(Br)ccc3O)nc3ccccc32)cc1 252622926 OGCAUEPCLFWMHF-UHFFFAOYSA-N 509.429 5.104 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OC 254290237 KCSMJAFMGVAAQZ-UHFFFAOYSA-N 622.678 5.228 50 10 KKGE O=C(NN=Cc1ccc(O[C@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1ccncc1 254409047 UBXDGNWIRZTCDO-VWLOTQADSA-N 541.822 5.504 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 254556230 IRCFRALMHZEMSG-HXUWFJFHSA-N 569.687 5.300 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OCC)c2)c(OC)c1 254746134 KCYPTGPROHXLKF-UHFFFAOYSA-N 546.620 5.360 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](O)[C@@]3(O)C[C@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146816 OPJUXNZWUHWYAM-SQGSSYOASA-N 741.200 7.135 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1OC 1083966539 XGJOTBOBQAIUJA-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1084079989 RRTMVSGGCVQYCF-UHFFFAOYSA-N 671.229 5.546 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1 1084080036 KYVUCYFXATXYHK-UHFFFAOYSA-N 652.169 5.989 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 1084167055 BBQWRFAEOLJKKZ-UHFFFAOYSA-N 606.402 6.038 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1[N+](=O)[O-] 1084341781 KUWQZKOBROCPMN-UHFFFAOYSA-N 574.622 6.428 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084346295 AEYICVMFHIIYOT-UHFFFAOYSA-N 556.756 8.843 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 1084394853 YGKQUIIPVMHCSL-UHFFFAOYSA-N 614.145 9.001 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1Cl 1084527877 YGJLFMJDHSISQR-UHFFFAOYSA-N 531.749 6.162 50 10 KKGE FC(F)(F)c1cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc(C(F)(F)F)c1 1614619491 XBVRVQAZQFJWGJ-YJBOKZPZSA-N 513.263 6.375 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@H](O[C@H]1CC[C@@H](N(C)C)[C@@H](C)O1)[C@H](C)C2 1848433220 ZFKWIQIRGQWRDP-LTWOLFDWSA-N 957.329 5.512 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688066 HZRCTGSNMGHOFT-FQEVSTJZSA-N 564.267 5.886 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865691288 ONCXIEQRGPRCEE-HSZRJFAPSA-N 544.549 6.275 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692091 AMWKFPYGEFZNSS-AREMUKBSSA-N 531.443 6.847 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694850 DCTHSKMXPDYLLG-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696465 NJKMGYUZZZFSKJ-SANMLTNESA-N 555.506 6.986 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865697379 QVWRLFAJNCDBRJ-SANMLTNESA-N 571.475 6.707 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700647 AEWMFYPIKJVZCP-NDEPHWFRSA-N 541.051 6.343 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 1865700885 GYCHWLPUQNQSNK-SSEXGKCCSA-N 549.030 6.793 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702837 GJHBKAIRJXUCHS-LJAQVGFWSA-N 520.633 6.329 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706483 XRHDZHTVXHXIGK-MRXNPFEDSA-N 510.259 5.383 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710529 AVTUYDMFSYRLBE-QHCPKHFHSA-N 536.941 6.497 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867188963 DMRJUKAEAYXQCP-VWLOTQADSA-N 584.771 6.148 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccc(Cl)c4)C3)n2)c1 1868506201 UDZLOKFKBIMODS-VWLOTQADSA-N 530.053 6.700 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872781793 RJDDKFFYDSEHEI-LZYBPNLTSA-N 501.402 6.061 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(Br)c1OC(C)C 1872782881 VJWHWOVVJYAPJS-UFFVCSGVSA-N 509.469 7.311 50 10 KKGE Clc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922943329 VDHKGNDFROWPQI-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Cn1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)n1 1924608848 OGOIZEFIGADQJV-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCOCC2)c1Br 1924615608 DGVDGHZOAYPRJM-SVRRBLITSA-N 511.899 6.288 50 10 KKGE Cc1nc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)s1 2024294468 MFIHESZJOOENAY-VIFPVBQESA-N 504.867 6.223 50 10 KKGE COc1ccccc1CNC(=O)CSC(Nc1ccc(C)c(C)c1)=C(C#N)c1nc2ccccc2s1 2040466440 BNARESHNFRYNOK-UHFFFAOYSA-N 514.676 6.276 50 10 KKGE N#CC(=C(Nc1ccc(F)cc1F)SCC(=O)Nc1ccccc1OC(F)F)c1nc2ccccc2s1 2053623273 PAGUJQXRPAJVEN-UHFFFAOYSA-N 544.555 6.852 50 10 KKGE Brc1cnsc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499210 GJSSOAMFRUVSEX-SECBINFHSA-N 648.632 7.440 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cn(C)c(Br)n2)c1Br 2136368668 YFWBWYXCUJKLCG-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)c(F)c1Cl 2201617618 ZNJQPWJHVVHVLA-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206404527 AJNJOEUYZQEGBI-CYBMUJFWSA-N 587.158 8.372 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2occc2Br)c(C)c1Br 2220156241 ODJHNJFZTNAENP-GFCCVEGCSA-N 501.838 6.668 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2226834758 KIRSREGHKULNLK-CIQYLNAISA-N 540.315 6.974 50 10 KKGE Cc1c(F)ccc([C@@H](Br)c2ccc(I)c(Br)c2)c1F 2231076034 JCPJMNWHYKAIQX-ZDUSSCGKSA-N 501.934 6.125 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)c(C)c1Br 2235606822 DQXSFUJODLQNLA-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE COc1ccc([C@H](Cl)c2scc(Br)c2Br)c(Br)c1Cl 2268266296 PSCZDGJFVYLITO-JTQLQIEISA-N 509.872 7.026 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc2sc(Br)cc2s1 2278102388 WMHGGTRRYFJCIO-ZDUSSCGKSA-N 548.490 7.421 50 10 KKGE N#CC(=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 2294187435 ODZUDZKNXGLRCG-UHFFFAOYSA-N 517.810 7.380 50 10 KKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1I 2295300966 GBPLUPBCQSVFJB-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE N#CC(=CNc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 2295937289 OXWBIDZHYZBFOB-JOCHJYFZSA-N 503.889 6.399 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2296506945 MLQBXZUHDUMLCQ-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296720894 PHZNJKQTGHIAMO-UHFFFAOYSA-N 588.668 5.436 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(F)c1 2313567499 KKYNUOIPXQFVQU-UHFFFAOYSA-N 550.428 5.432 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571070 MPDMCIXHQKENPX-UHFFFAOYSA-N 626.088 7.551 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@@H](C)O1 2314476954 YRMXEMKFPHHWGW-FGZHOGPDSA-N 623.156 5.329 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314610460 IQZLMNXDHGQLAW-UHFFFAOYSA-N 522.649 6.275 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314616765 JHDXKXKMZCOGOD-UHFFFAOYSA-N 625.128 7.607 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(Cl)c3)C(C)=C(C#N)C2=O)cc1 2314617095 QPATUIJRQVFNEL-UHFFFAOYSA-N 565.029 6.002 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314618663 RFPAVPZLGZTZKT-AREMUKBSSA-N 625.128 8.125 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 2314640699 OLVIERPQOPCPIL-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644618 WQSLGJJUJHYFAF-BHVANESWSA-N 669.605 9.106 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 2314646797 OPJLRIVGXPYHEO-AREMUKBSSA-N 669.159 5.517 50 10 KKGE C[C@H]1CC2CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319522438 ARFDNUYRIBPYSA-SRMMIXQFSA-N 523.910 6.429 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 2331402759 NRZCKLLQHDSWIH-INIZCTEOSA-N 510.015 5.943 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccc(C)cc1 2331451342 TVDPWYJUAGIGGZ-UHFFFAOYSA-N 510.615 6.932 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1csc(Br)c1Br 2335290877 RKJXAWGVZKPCOH-SECBINFHSA-N 532.281 7.810 50 10 KKGE Clc1ccc(CO[C@H]2CCCCCC[C@H]2I)c(I)c1 2340111206 YXAXLZGSNKOVKM-HIFRSBDPSA-N 504.577 5.988 50 10 KKGE Clc1cccc(CBr)c1OCc1ccc(I)c(Br)c1 2349807507 NFNHYSBQBWALIH-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2364064840 WJPMIQBCEUHGSP-YFKPBYRVSA-N 546.699 7.043 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(F)cccc1I 2365236962 QUIRYOGPKGMIFO-ZDUSSCGKSA-N 536.379 6.731 50 10 KKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2377264223 SBTGQGZVANGOKG-XBFCOCLRSA-N 514.083 6.822 50 10 KKGE CC(C)C[C@@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2382185440 YPLKAWCKWKWBBP-KRWDZBQOSA-N 506.323 6.228 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 20073269 VUZCJNKPAUZZLL-MUFRIFMGSA-N 521.570 5.650 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 20826825 ZCYQLIOFLRWGBG-QHCPKHFHSA-N 524.694 5.514 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655851 IDSNPPULECJTKA-HSZRJFAPSA-N 512.305 5.104 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 38701218 RLGCFBAJUFPNNN-AREMUKBSSA-N 514.965 6.539 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812021 POBJATMLESNMMR-OCSSWDANSA-N 505.880 5.689 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(C)cc3Br)c(C)c21 40813227 FEHZXZKURCDDOK-TURZUDJPSA-N 510.388 5.390 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 40813744 MWDLEKIXLFXJJA-MWAVMZGNSA-N 513.421 7.016 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1OC 40853634 PTRGWZPPHSIZLQ-NBVRZTHBSA-N 504.368 5.805 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 40929622 IMDNKMIHMFPUJH-UDWIEESQSA-N 508.958 5.156 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3cc(C)c(Cl)c(C)c3Br)cc2)cc1 40950775 SXNQFEKGEHEYJE-XODNFHPESA-N 515.835 6.136 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 58892275 SKKRYSASPYAFDY-KAECXJSPSA-N 517.582 5.265 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061523 NZLUTWCROVYVHS-LLVKDONJSA-N 591.083 5.665 50 10 KKGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100142562 UYBFFOFNCRLOGT-UHFFFAOYSA-N 623.367 5.648 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NCc1ccco1 101012382 FVFYZWULVZXKDB-JLPGSUDCSA-N 535.003 6.588 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CCCC2 101193690 OOTWOBDRGNLEEO-QGOAFFKASA-N 532.021 6.811 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101293422 XDTOAAJZGRZBHQ-WJOKGBTCSA-N 554.643 6.512 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101338947 FBVDAFCCLMIKPZ-AJBULDERSA-N 603.122 7.697 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 101373857 KNHXDWSZCUMSSO-LJAQVGFWSA-N 532.568 5.606 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 101378083 SNOJYZLQAYGMSU-YTTGMZPUSA-N 540.660 6.801 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Br)cc5)ccc43)cc2)cc1 101378475 BFBRMYRNDQXZPN-GDLZYMKVSA-N 567.439 6.774 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383681 DTLKZUPDTFPMGL-SYHMHQOJSA-N 532.571 6.550 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389847 PPIXJNJCBSHXOY-PMERELPUSA-N 605.449 7.548 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101393103 GWXGMLACRFALLQ-PMERELPUSA-N 552.627 6.983 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602072 FCUKHLXZXDTBNL-LQKURTRISA-N 523.958 5.482 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12 102933480 OCBMCTZTLZZILG-ZHZULCJRSA-N 586.398 6.674 50 10 KKGE CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)=C2N2CCOCC2)cc1 102942158 LMOCCTWAOMXHRJ-OQOPXYDQSA-N 550.625 6.404 50 10 KKGE Cc1cc(OCc2ccc(C(=O)NNC(=O)/C=C\c3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)cc2)ccc1Cl 102995080 HJDYCGGVYRGQCI-YVLHZVERSA-N 610.519 6.156 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2ccccc2o1 103877474 APEXYUZSMISQMK-LUOAPIJWSA-N 527.758 5.920 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 103878276 VPTCLAJBICGKAF-UACWCTJZSA-N 603.726 8.075 50 10 KKGE O=C1OC(=O)c2cc(Oc3cccc(N4C(=O)c5ccc(Oc6cccc(Oc7ccc8c(c7)C(=O)N(c7cccc(Oc9ccc%10c(c9)C(=O)OC%10=O)c7)C8=O)c6)cc5C4=O)c3)ccc21 150408158 ITFQWHUVGKZTOK-UHFFFAOYSA-N 876.742 9.078 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484845 SUBDMWSRDLCBMB-GDLZYMKVSA-N 652.328 7.781 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497501 IYMJGXDJNZWWFN-HPNXWYHWSA-N 661.161 8.717 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 163408966 SZFRYHRZKFLDHB-SMZKAPSWSA-N 670.580 7.209 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)ccc1O 164604389 KIKKWIWIRXMECM-KCSSXMTESA-N 638.540 5.640 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2OC)cc1OC 207091604 WJRNJLIIJBUVLB-WMCDJEJZSA-N 520.626 5.715 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)C1=O 214240618 UMVLPGUSIBTEQV-ITYLOYPMSA-N 508.622 6.029 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 214363907 FPHAJAQZTQJJPW-COEJQBHMSA-N 548.687 6.952 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1cc(Br)ccc1Br 228452003 SCDHAZKLIVVBDM-LBPRGKRZSA-N 518.268 7.112 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254385070 FHKFZFTVLFOENG-UHFFFAOYSA-N 575.738 7.150 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2cc(Cl)ccc2O)n1-c1ccccc1 254508319 IFIIBFVKCFWFTC-QGZVFWFLSA-N 555.491 5.831 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C)C(=O)[C@H]2Br 256019822 GZULQEGYIKAKAS-CFKSZREYSA-N 700.464 7.482 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 380141806 PWRQPOCZRBEDOM-JTQLQIEISA-N 513.398 7.383 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C[C@H]3O 390823259 XFDOVQPSOPEMRW-QUCBNNNRSA-N 520.871 7.596 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)c1 616678170 FPQQHJGBQGEJBS-GDLZYMKVSA-N 525.926 8.220 50 10 KKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616691724 LSJGPRHZSOWXTF-HHHXNRCGSA-N 510.795 6.723 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CNc3ccccc3N2S(=O)(=O)c2ccccc2)c1 616691772 NPFWOECTUQJETF-HHHXNRCGSA-N 508.760 6.613 50 10 KKGE CC1(C)C[C@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721579114 QCIWIIQNKVDDOL-LLVKDONJSA-N 515.027 5.079 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1 725439815 PGIVTJLRXSTYNY-UHFFFAOYSA-N 540.111 5.829 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](O)C=CC=C(C)C2 888086891 KVEGDZGBBWHXMS-KKETZNFMSA-N 981.584 5.188 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1083958168 XTUGGHQTFODKMP-UHFFFAOYSA-N 593.105 5.338 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)o1 1084137192 WGNAXMOGFPAXEN-UHFFFAOYSA-N 559.051 5.706 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084167720 VOZZYDLYMNYOSA-KOEQRZSOSA-N 678.368 7.042 50 10 KKGE COc1ccc(NCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 1084251801 IXYHENLSNHNXHD-UHFFFAOYSA-N 542.728 6.223 50 10 KKGE O[C@@H](CCl)CN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084349829 BLBRFKNWQOPVDU-HNNXBMFYSA-N 541.558 5.001 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N 1084465021 PEQCVIFJXJPGQZ-UHFFFAOYSA-N 633.546 7.829 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1 1084483308 IKTGPDXHZQNSRA-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084640395 DWADXXRZZVDLFV-JOCHJYFZSA-N 615.149 7.061 50 10 KKGE O=[P@@](OCC(CBr)CBr)(OC[C@H](Br)CBr)OC[C@@H](Br)CBr 1088617122 MORVLXJAZXFKOH-KVMNZBFOSA-N 711.640 5.867 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1cccs1 1565517807 BVGRBCUIDNTULJ-UHFFFAOYSA-N 537.819 5.311 50 10 KKGE CCCc1ccc(C(=O)N(C)[C@@H]2Cc3cc(Cl)ccc3/C2=N/NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1614015099 BJQVXOQKZIKNQA-RDXMDRQKSA-N 558.988 6.414 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(C(C)(C)C)cc1Br 1772755505 JZRQIOOOVKPZQB-UHFFFAOYSA-N 512.242 5.437 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688444 SCUNGRBBNLZXSN-JGCGQSQUSA-N 556.666 6.826 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3c(F)cccc3Cl)cc2)cc1 1865693893 ROJMKIPMCAFVAI-PMERELPUSA-N 577.059 7.497 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865695370 CBNUKQSZPRCLBI-PMERELPUSA-N 536.676 7.164 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1OC(C)C 1865696562 HPDVDSSAWQBYGV-FQEVSTJZSA-N 518.923 5.618 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700769 DBKAHBAGYKJZAG-MHZLTWQESA-N 561.469 6.606 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701118 MJZSTQSGGPZVOY-NRFANRHFSA-N 552.226 5.783 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1OCc1cccc(C)c1 1865704835 FSBMVFCTSUZXRH-SSEXGKCCSA-N 572.640 6.852 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706570 ZQNLNVYJKJDWIK-AREMUKBSSA-N 506.606 6.074 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)OCCc2ccccc2)c1C 1866130105 ALNMPRSINDLNHZ-RCCKNPSSSA-N 548.617 5.196 50 10 KKGE CCC[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866601260 NYNACPYDQVCCNP-XMMPIXPASA-N 538.739 5.586 50 10 KKGE CC[C@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867138577 RRUWZIFKQDCOKV-YWZLYKJASA-N 504.450 5.448 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)\c2ccccc2)cc1 1872745990 MOWOFJLPSMQVGW-YKGZCTIFSA-N 515.432 7.615 50 10 KKGE Cc1scc([C@@H](Br)c2sc(Br)cc2Br)c1Br 1902871905 NFPCXSVHLPTRPB-SECBINFHSA-N 509.908 6.890 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1914229468 RYTHNPOQOHJNLT-LBPRGKRZSA-N 537.033 5.480 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067106 YNZNGLHKICXDOT-SSDOTTSWSA-N 558.742 7.827 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)sc1Br 1924034128 XFXWFKAACXPSKC-KSBSHMNSSA-N 518.894 6.670 50 10 KKGE Brc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924616453 OVQSIYWLOZESQU-QMMMGPOBSA-N 647.644 8.045 50 10 KKGE Clc1sc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2004901474 ADFGMEJRBKIJLW-YFKPBYRVSA-N 520.320 7.732 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012785 VXKLAISHHCZDBL-NMFUZMRPSA-N 756.833 13.612 50 10 KKGE COc1ccc(N2C(=O)N[C@@](c3ccc(C)cc3)(C(F)(F)F)SC2=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2053623393 VUGHUCMCAGWEQP-WJOKGBTCSA-N 647.683 5.991 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C\[C@H](OCc1ccccc1)[C@@H](F)[C@H](OS(C)(=O)=O)[C@@H](COCc1ccccc1)OCc1ccccc1 2065316150 CMHRNCKCIHDRBI-QHHJJFLKSA-N 659.893 7.065 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCn3nccc3C2)c1Br 2108966071 PFNLABYKEAYRBT-RCOVLWMOSA-N 533.909 5.931 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3cc(I)sn3)cc(Br)c2O1 2120030785 YCCGBXUITIRXSA-QTTZVWFDSA-N 515.008 5.318 50 10 KKGE FC(F)(F)C(F)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477520 RHXFDFJSBMCRJD-SSDOTTSWSA-N 560.174 7.214 50 10 KKGE O=S1(=O)CCc2cc([C@@H](Br)c3sc(Br)cc3Br)ccc21 2170070232 KRVLIQJCEXTCCN-GFCCVEGCSA-N 501.059 5.087 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(Cl)c1Cl 2203447972 OVGDRCMIUQRSJR-GFCCVEGCSA-N 506.392 6.697 50 10 KKGE C[C@@H]1CC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2214910581 NKBLXSVNZJVPNT-YZGOCOMISA-N 510.289 7.063 50 10 KKGE Fc1cccc([C@H](Br)Cc2ccc(Br)cc2Cl)c1I 2229146636 ALZZWPDOQRXNLH-LLVKDONJSA-N 518.389 6.525 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 2232082500 VHVAHVJHHMXJMC-SNVBAGLBSA-N 554.323 7.135 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Cl)c(C)c1Br 2235603561 JWKYZERRRZWBHJ-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cccc(F)c2I)c(F)c1Br 2236112370 TWYDJYQSUNUXHH-JTQLQIEISA-N 523.887 6.094 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198250 NHWYMNJKXSZNCU-HSZRJFAPSA-N 597.332 6.585 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)NN=CC=Cc1ccccc1 2293735583 KCGHYHJZKJHLRO-UHFFFAOYSA-N 518.440 5.604 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642426 DMXPKHGQUDHEGW-AQTQYONQSA-N 676.210 5.021 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556944 OYJXBFFIECASDZ-UHFFFAOYSA-N 691.282 6.361 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1 2313565048 OFQRXLNPQICXBF-UHFFFAOYSA-N 526.105 8.313 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313671125 HKGDVEAHAJGUOV-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2314487691 HQAWSNPMBZDAKF-UHFFFAOYSA-N 516.420 6.654 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591824 FPOMHUXSBDLUDS-VWLOTQADSA-N 562.489 6.085 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592574 XXOPXZXKAAOETI-XMMPIXPASA-N 548.462 5.913 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCCC(C)C 2314634756 GSSITSLETLKBCJ-WJOKGBTCSA-N 559.062 7.001 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5Cl)ccc43)c2)cc1 2314640608 AZFKXLSOKKWITL-JGCGQSQUSA-N 583.471 7.718 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cnsc2Br)c1Br 2315620714 YRJKIMSCHDIBSB-SSDOTTSWSA-N 648.632 7.440 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(F)cc2)sc(C)c1-c1ccc(Br)cc1 2329641123 VUMSCIBCEOOTSC-UHFFFAOYSA-N 513.388 6.348 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)nc2c1 2331046572 VDUDOODRRIYNBX-UHFFFAOYSA-N 536.371 6.081 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331391860 PVHUJHIFACTPDD-OAQYLSRUSA-N 507.999 5.894 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076348 XWDUFTJXLKFBTP-NRFANRHFSA-N 541.077 7.284 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Cl)cc(F)cc2Cl)c1Br 2340800872 DQLONTHHJFYSES-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O 2331836 RAZDODOUPLDNHQ-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE COc1cc(/C=N/NC(=O)c2cnc3ccccc3c2)cc(Br)c1OCc1ccccc1Cl 2946119 PAKTYOGKFRCMHA-VFLNYLIXSA-N 524.802 6.002 50 10 KKGE COc1ccccc1CNC(=O)C(C#N)=C(SCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1 3052470 GYMLXNCONPJGON-UHFFFAOYSA-N 529.514 7.220 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 29491646 GGDFEHSRCOBIEB-LGUFXXKBSA-N 565.699 5.814 50 10 KKGE Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 33958888 MTJXKKXARRXQKI-QXUDOOCXSA-N 521.064 7.586 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 35239714 DMSACDAPMQEELN-QNGOZBTKSA-N 511.464 5.049 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1C 38678822 XXSGXNRFKVJJMW-VWLOTQADSA-N 505.368 5.269 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OC)c3OC)c(C)c2c1 38688644 SYZUWDZPFQMBLG-AREMUKBSSA-N 510.546 5.758 50 10 KKGE CCCCOc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1 40620083 PJFXMKXYZZNXIX-UHFFFAOYSA-N 512.570 5.583 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(C#N)/C(O)=N/c2ccccc2Cl)cc1C 97966728 UIYQJJPTFGQQDV-QNJFXAKOSA-N 556.902 7.978 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100141323 JYEPQDZCPZPPEK-UHFFFAOYSA-N 532.449 5.067 50 10 KKGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(OCc2ccccc2)cc1 100212202 LNADLXBKCMTUFQ-UHFFFAOYSA-N 545.433 5.724 50 10 KKGE O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100290720 UHVNQOZPROOGFG-XCVCLJGOSA-N 538.623 5.258 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1Br 100311238 WQCCZPSTCVHSLA-LICLKQGHSA-N 560.217 6.484 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1 100920345 PJMUXIGPIQUXLJ-LGUFXXKBSA-N 535.607 6.727 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1 101333558 BHMIJNPGOIVRDS-VFCFBJKWSA-N 520.633 6.277 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101339916 WSXIBSWKCUDDAA-NDZAJKAJSA-N 558.638 6.129 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362600 LFYNFFCQJWJEGG-JGCGQSQUSA-N 532.596 6.031 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367523 UAZINILNMIPRIR-ULKXQASOSA-N 576.649 6.428 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101367665 HOHYREAOPLXICQ-HLBRERCFSA-N 565.453 7.018 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381041 FHWKLLIAMUHTFW-PGUFJCEWSA-N 582.631 7.360 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381084 UNHXUKCHTSJWPK-HKBQPEDESA-N 599.514 8.307 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381390 VHZHRYZNUJHINB-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101385632 ZUGJDNAPHOOHJL-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386053 XLBILONEGISGNF-HKBQPEDESA-N 603.458 6.784 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101386639 PRGIPHMHSYPLJN-ISYDNLPHSA-N 562.597 6.559 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387475 PYKCEEOEWJADET-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101388581 OWUJSTAQPMWIPV-XIFFEERXSA-N 611.094 7.544 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101393264 MZFAEUHMCXWFPZ-MUUNZHRXSA-N 549.023 6.364 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(F)cc6c5C)ccc43)cc2)cc1 101397482 AXKNOIZZWPZHSR-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccccc12 101397882 CGLOWVVJAKFEIY-PMERELPUSA-N 546.554 6.897 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398304 KCUPKEKTOLUFBZ-PMERELPUSA-N 553.014 6.673 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1cccc(Br)c1 101735356 INDMNSURUHXUIN-DAQNXSASSA-N 539.382 5.037 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(Br)c1 101767043 HYEFZOWHLGHLKJ-OCSSWDANSA-N 604.339 6.671 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 103741901 VOJQYIPBQUIWAV-NJEMLTPYSA-N 546.490 5.543 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 103742546 ATBPDAQZZCEECS-SCIJIFGBSA-N 601.295 6.416 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 103876628 XBWDOADMLLRNRX-FDALDRLYSA-N 608.094 7.546 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1Br 109869693 LPXXHTDNOMUQPW-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432992 UBNVFFGONIQZKS-XIFFEERXSA-N 679.984 8.444 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(I)cc1 163804277 KSXPNYKGJWZJEB-HZQMBONKSA-N 695.601 8.527 50 10 KKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F 217254266 UAEXYDIACCUFDY-LUAWRHEFSA-N 505.665 5.730 50 10 KKGE Clc1cc([C@H](Br)Cc2cccc(Br)c2)ccc1I 232386384 PVDZYGGZBHMGBA-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)CSc3nc4ccccc4o3)cc2Br)c1 254685708 MEXOGDNNHYUHMV-UHFFFAOYSA-N 589.309 6.483 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254866228 BXVDCGSRHOYOKI-UHFFFAOYSA-N 550.784 9.016 50 10 KKGE C[C@@H](Cl)c1nc2cc(F)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390465150 FINTZXQKYCAPBD-LJQANCHMSA-N 514.870 7.330 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@@]12C 504817640 CZPMLPQARRFNQN-IIKMKBEISA-N 537.692 9.728 50 10 KKGE CN(C)c1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(N(C)C)cccc1P(c1ccccc1)c1ccccc1 642814166 NWYCTGSQYILAPZ-UHFFFAOYSA-N 608.706 7.002 50 10 KKGE C[C@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CCBr 697199969 JFEWGSZIBDUOCE-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE COc1cccc2c1CC[C@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237403 GCKXPIUQGXDWKY-AUSIDOKSSA-N 522.976 5.892 50 10 KKGE COc1cccc2c1CCC[C@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238775 XCVSJIRLESITSK-YKSBVNFPSA-N 537.003 6.282 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2)cc1 725423714 JPNNZZVZCZQYPZ-UHFFFAOYSA-N 562.667 5.286 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817599 SAHJWPXTHJECLJ-AALIFHQRSA-N 755.034 6.751 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1Cl 1084019551 ZJZQUBAETSXJGK-MHZLTWQESA-N 507.030 6.010 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2ccccc2c1 1084332984 IVZPKEWBMFNETO-TURZUDJPSA-N 596.525 6.836 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1 1084386997 SWTOHFAOEQUNGM-HKOYGPOVSA-N 593.465 5.525 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 1084551609 GVKQGFCUQALYHA-DEOSSOPVSA-N 563.851 6.183 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720214 IUDTYDVJQYOFNX-SFHVURJKSA-N 571.026 5.210 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747793 RALHQVJKKGVABF-UHFFFAOYSA-N 520.614 6.587 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686514 XDGRQEQNIXFZTM-JOCHJYFZSA-N 521.379 6.271 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688814 BQDZHNXIAMYBAF-AREMUKBSSA-N 547.442 6.547 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865690598 WOKMMHJACPSKLE-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865693819 ZLUFHJAGCIRZSD-DEOSSOPVSA-N 551.485 6.383 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694185 RCULTKIJNSCOHM-GDLZYMKVSA-N 573.068 6.872 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)c1 1865694715 ZUUALCRARIILGO-SANMLTNESA-N 527.024 6.267 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865700993 JEHOCYDKQVUOJH-XMMPIXPASA-N 566.967 6.659 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701014 JSFCDVLQSACRFK-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865705464 WLLJTMATDJXRRY-MUUNZHRXSA-N 575.024 6.639 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708888 IKUFEPFTLQMADG-PMERELPUSA-N 571.722 5.447 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866737386 UWZVQNVWEJJOGS-RRPNLBNLSA-N 573.740 5.972 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866767107 DHIMFUKYBHZBAM-RRPNLBNLSA-N 515.679 6.073 50 10 KKGE CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1 1868365890 XQLLDRCYKAOCQD-MHZLTWQESA-N 505.691 8.099 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)n2)c1 1868505857 LTLAZWCYCKXWKG-AFMDSPMNSA-N 527.625 6.574 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 1872756528 NVTBNYOWFIRYBX-FRUQYNCGSA-N 511.814 7.048 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872780897 PEBNBCKYQKGDPA-DEDYPNTBSA-N 507.840 7.869 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)cc1C(C)C 1872793331 UXNHTTQIAPEPSH-OEAKJJBVSA-N 515.078 8.547 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccc(F)cc1 1873794408 HVRFOHGQBNBQGJ-DTSNDPNPSA-N 501.599 5.193 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1sccc1Br 1899881395 FPTAJEQROXFDIX-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE COc1cc(Cl)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923073606 YKCSYLSITFXVFA-VIFPVBQESA-N 509.872 7.073 50 10 KKGE COc1cc(OC)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924601145 JOBSPJSXHGMNFA-SNVBAGLBSA-N 549.904 6.537 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2OCC3)c1Br 1924615639 DRLKVEDMTATMJQ-TXMMPKFLSA-N 537.937 6.821 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(I)cc1 2036570130 ACWQQYBJIRWRCQ-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2040363015 YTWRPZDYDJFXOL-UHFFFAOYSA-N 512.590 7.713 50 10 KKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)c(C)cc1Br 2092331167 QXNOIEVXXRPTQX-CQSZACIVSA-N 511.877 7.075 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(I)c2)c1Br 2136381379 ZYVRHRMAQADJMN-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE CCCC[C@H](CC)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478097 WOJNTIYHNYGWLG-RMLUDKJBSA-N 540.359 8.233 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)cc2Cl)c1Br 2201068431 FYCQLJXGZWWFGY-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 2202348087 YBGOETGCAALNET-CQSZACIVSA-N 506.392 6.697 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CCCCCCC2)c1Br 2206397382 ITDUACWAMSMTQK-ZDUSSCGKSA-N 596.821 8.533 50 10 KKGE Brc1cccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400032 OPRRCMOMDCMSRQ-SECBINFHSA-N 655.642 8.178 50 10 KKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)c1cccc(Br)c1 2222472325 OUSZSSNTUVYONZ-QMMMGPOBSA-N 538.324 7.321 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(F)c(Br)c2F)cc1I 2224627463 LNJDIMGDTOZGBJ-LBPRGKRZSA-N 501.934 6.125 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)ccc1Br 2229154767 SATULSAYZCZUPM-ZDUSSCGKSA-N 532.295 7.306 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)s1 2233011077 YLADXYDSZYFZRC-CYBMUJFWSA-N 550.481 6.742 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1 2272726180 KSAOTMWMTOKYGT-LJQANCHMSA-N 502.580 7.397 50 10 KKGE Fc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2288343983 DXBZKMGEIXEHKS-NSHDSACASA-N 537.793 6.876 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198319 UGBRJCMTWCPRPX-XMMPIXPASA-N 522.457 6.045 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818678 CTECQHMOPOFQJP-PQJHBKESSA-N 799.190 13.846 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 2296544533 WWHKSUVSIKDJDJ-UHFFFAOYSA-N 501.340 5.103 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518798 UBWVOBKSRHKLKS-UHFFFAOYSA-N 536.196 7.250 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 2313724753 ZDHLYPNMUXNLAO-UHFFFAOYSA-N 546.248 6.567 50 10 KKGE CCc1nc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2314444485 LMMNQOVUJMRTAR-QGZVFWFLSA-N 501.671 7.138 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634369 JBTYHPVSKKVSPN-HKBQPEDESA-N 536.628 6.394 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 2315450556 FDTHBYNJCJADIK-INIZCTEOSA-N 569.515 8.129 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331251446 SRBSNLLQWBHWDK-KRWDZBQOSA-N 512.462 7.087 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 2331279447 ZSWPIQPPGWSHOE-ZDUSSCGKSA-N 508.397 5.917 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c1 2331376287 UIFKVGASMVDCEB-UHFFFAOYSA-N 505.640 6.128 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)c(OCC)c1 2331386672 YCKFIOFITUJHQC-UHFFFAOYSA-N 508.596 6.139 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2361200571 KTJFQXAHPBEBAI-MAODMQOUSA-N 500.221 7.680 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362227717 IORIQRHOWOROIU-JTQLQIEISA-N 570.341 7.929 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)sc2Br)c1Br 2365191666 QBGIPEJSMADGEB-LLVKDONJSA-N 547.932 7.145 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Cl)cc1I 2366707032 MNXYMNGXRMWFJI-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE BrC[C@H]1CN(Cc2ccc(I)c(Br)c2)CCC12CCC2 2377340451 RXPMGVPZVLILEN-ZDUSSCGKSA-N 513.055 5.441 50 10 KKGE CSc1sc(C)cc1[C@@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981804 NAWWBJPINSMOTL-HXUWFJFHSA-N 504.508 7.026 50 10 KKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33378978 RFRPBTCKRWRMPY-HKOYGPOVSA-N 510.569 5.317 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38649724 YBNAHQNAEUEKBU-SANMLTNESA-N 523.416 6.493 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 38679277 IOWGIRIKTRQSJI-CBZJRKILSA-N 518.541 5.214 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 38686712 CJGHMFPDLDYBCS-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)oc2c1C 38688297 WIVTYUNXQKIVIW-DEOSSOPVSA-N 519.384 7.102 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 54624883 IECXUWGLCPDPHC-XQNSMLJCSA-N 516.594 5.708 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc(C)c1 59333306 YBQHTDKDHNCTKV-VFCFBJKWSA-N 507.634 5.567 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100098904 KHZYRVGIXOIUCI-UHFFFAOYSA-N 597.263 5.457 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100452063 CCJFMXDPNHJZKU-MIIVUHEXSA-N 576.318 7.027 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccccc1Cl 101362881 IVNBBBGJTFRTHM-QGZVFWFLSA-N 605.088 7.810 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCC(C)C 101374269 VLAZMLOFYRCSDG-MUUNZHRXSA-N 560.603 5.193 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376211 QZJPYWVSFACKLV-QFIPXVFZSA-N 574.502 6.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379018 OZGNHENILSOHPT-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383499 XLLSGJPOVSVQHW-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384524 VSUNYDLJMNQKCO-PGUFJCEWSA-N 582.631 7.360 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101385823 OVJLXNYHIGCNCB-XIFFEERXSA-N 589.047 7.518 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(C)cc1 101387799 SPDNOKYKOXOQFA-UMSFTDKQSA-N 590.676 6.792 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101398363 NMYOWMOSHHNRNQ-IHLOFXLRSA-N 566.997 5.883 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(F)cc1 101399914 QGHCPHRYUQOEOM-JGCGQSQUSA-N 604.590 6.347 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OS(=O)(=O)c1ccccc1 101853729 JQIJMYLGFYGYSP-WJDWOHSUSA-N 536.915 5.681 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665953 FPOFBWAIUZZUKR-SCIJIFGBSA-N 522.399 5.653 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 102813755 RCVWXLHVKCSNAH-QNGOZBTKSA-N 516.619 5.937 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 103737694 SDVRMFMVNOUNMT-XYZDCVNTSA-N 532.021 5.582 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Br)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743088 UYKSCTSDQWCXNM-NJEMLTPYSA-N 546.490 5.543 50 10 KKGE Cc1c(Br)c(/C=N/NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(Br)cc1 103842455 NMPVSLCWYFIUKG-LGJNPRDNSA-N 548.279 5.214 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887710 ADOMQWGMYQSVAR-ZSOIEALJSA-N 558.157 5.149 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 104803647 QTWLSAAQJARBJH-CYBMUJFWSA-N 577.328 5.056 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 150429450 LDIMKOPLQWRLGH-ABZYITTCSA-N 637.312 5.995 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 150431993 PFIASDZLVRITSX-DVMDLWDRSA-N 646.478 5.330 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150463258 VZFNDAOWDXJWJP-WJOKGBTCSA-N 700.402 9.114 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCC(C)C 150486457 ZMILSORPPWUHSY-RUZDIDTESA-N 629.949 8.342 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 150497941 GVSZENFKFKDFEE-BIZUNTBRSA-N 629.091 7.703 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214386192 IGSUVYVDDAMSFL-MZFJOGFUSA-N 634.692 6.948 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214407625 VDRSVTWNBZMDFY-UCMJSZAQSA-N 608.673 7.358 50 10 KKGE COc1ccc(OC)c([C@@H](Br)c2cc(Br)ccc2I)c1 234961840 OTUPJEFBAWFZEF-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc4ccccc4c3Br)ccc21 252462077 POFSRYSXGSLWKS-UHFFFAOYSA-N 500.396 6.259 50 10 KKGE CCCCCCCCCCCCC(=O)NN=Cc1cc(OCC)cc(C=NNC(=O)CCCCCCCCCCCC)c1O 252617119 KMRGHMQBQZCQLK-UHFFFAOYSA-N 614.916 9.313 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 252629347 UEEJNHZLXCFOSD-OGYIDRFLSA-N 557.994 5.495 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CSc1nnc(N)s1 253564760 GXKSZPVLTRWSNB-STBIYBPSSA-N 552.774 5.329 50 10 KKGE C[C@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C)OCCO5 253610072 ZDVCXQFUENFUQE-JCWGCGOSSA-N 550.897 6.768 50 10 KKGE in-vitro Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254520727 NNMMZXXOSXFWKH-UHFFFAOYSA-N 515.639 5.194 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc1 254704966 UODOSSWVMBPFKF-QFIPXVFZSA-N 667.621 6.270 50 10 KKGE C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 504264669 YQDQKLZJQQTFEU-WNLFSRAISA-N 612.702 6.527 50 10 KKGE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 575232357 OFDIKJKJPJTORF-PSLQFQAMSA-N 705.251 11.282 50 10 KKGE CC(=NNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725380089 ZEFBEQYBWIQMLS-QFWKVIGSSA-N 730.312 5.771 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 725441348 KIHGPLMNFKYPAI-UHFFFAOYSA-N 579.520 5.587 50 10 KKGE O=C(CSCc1ccc(Br)cc1)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1083933238 WYOLTATZIHZSOQ-UHFFFAOYSA-N 605.539 6.276 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 1083948558 MCQCACGIKNEQDB-UHFFFAOYSA-N 598.530 8.501 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(C)c1 1083962481 UIIFSDHGOOQUSA-UHFFFAOYSA-N 564.085 7.766 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084047922 AJDHFHWWYSQSCD-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE CCOc1cc(OCC)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084220120 GZTRBFBXZRTYBJ-UHFFFAOYSA-N 510.182 5.519 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 1084226752 GMQHRDYTTWMPCH-UHFFFAOYSA-N 566.662 5.194 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1 1084246507 CFNZZAQAYOXLLL-UHFFFAOYSA-N 619.209 5.872 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084255148 WJMCAABPHWXUHO-DEOSSOPVSA-N 590.858 5.952 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084394226 YVJSTAFUVOYXJR-UHFFFAOYSA-N 527.518 5.724 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084399854 QJPTYPDYEWYTMJ-UHFFFAOYSA-N 532.232 5.628 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1307273375 DIMYHZDULFSWLS-SIXRHKMJSA-N 641.142 11.150 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCc1ccccc1 1772755180 SIKLGFDRQRDVJJ-UHFFFAOYSA-N 596.572 6.835 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)ccc1O 1865681652 SLYNJBODTCYVPR-RUZDIDTESA-N 512.541 5.069 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865687687 XYQYFWMBTRRLSM-MHZLTWQESA-N 547.442 6.352 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690619 XAMUFIJRBQNDMM-LJAQVGFWSA-N 510.597 6.396 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865695762 HDKJRSZTQYZMMN-HHHXNRCGSA-N 535.088 6.723 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700852 GBELIMOWZCHUKZ-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703214 QFNSPRKAGVXWPE-HHHXNRCGSA-N 500.643 5.996 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704028 LCDNPFMBNMCELA-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)CC1 1868300611 GBEGNFVNNJLJJH-UHFFFAOYSA-N 550.732 6.532 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2Br)c1Br 1877356014 KEABWIZAIDETIH-PAKKCRSFSA-N 532.715 6.255 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)Cc1ccccc1 1880809827 MLRMFMNAQAGXCE-UHFFFAOYSA-N 515.292 5.797 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1916355136 QKPYEVDHZVSNGX-HNNXBMFYSA-N 509.160 5.520 50 10 KKGE Cc1coc(C)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924572543 ZOSJZVZCTIVPHS-MRVPVSSYSA-N 507.867 6.730 50 10 KKGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1991461477 NYSQKNZXRPSGHK-WSZYKNRRSA-N 513.476 5.572 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2042444543 RVTWBPRTIVPKPB-UHFFFAOYSA-N 525.971 5.663 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)cc2F)c1Br 2138848296 AKBLUSFIHFLADW-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 2201068695 HSFINQHFHMRLBP-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Clc1ccc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206408699 LFWRAKJDKUYHLF-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE C[C@@H]1CC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2214910582 NKBLXSVNZJVPNT-ZWBHMBAVSA-N 510.289 7.063 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2225633329 ILFDCQLJRPJCKE-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2233037809 DCRUHZZBGBORDT-RQJHMYQMSA-N 505.863 6.258 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1sc(Br)cc1Br 2263451785 BFLATQBWDKPNRV-JTQLQIEISA-N 538.324 7.321 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2280668053 NHRCRHZPKQTHRQ-NSHDSACASA-N 566.378 8.297 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198164 BODDXCYPGABUOO-HSZRJFAPSA-N 597.332 5.954 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(F)cccc1I 2295371169 WMNIHXDNMFFLNK-ZDUSSCGKSA-N 534.388 6.339 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296506933 MEJTUPQTWVEIHW-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 2296723180 RAXIREXTBJLPPU-UHFFFAOYSA-N 546.819 6.094 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2297458648 PHSDKRNJRVLTAM-XMMPIXPASA-N 601.353 6.541 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)OCC(=O)c3ccc(OC(F)F)c(OC)c3)c2C)cc1 2297486636 WTJQTVSAUGUJBJ-UHFFFAOYSA-N 524.520 5.436 50 10 KKGE Cc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299534443 DFQIHQJHSKBOMK-LJQANCHMSA-N 531.107 7.645 50 10 KKGE COc1ccc(C=CC(=NNC(=O)CCCCC(=O)NN=C(C=Cc2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 2313530569 QHOMLDRNAWIXIB-UHFFFAOYSA-N 674.798 7.049 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1 2313568251 QMEAGAQZVBWWDW-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1 2313568929 ZFGJOMXRLWEOOB-UHFFFAOYSA-N 587.255 6.795 50 10 KKGE C#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313571357 UHMSGFWQSYZFGB-UHFFFAOYSA-N 541.172 5.554 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N1CCOCC1 2314476441 OPROGOBAWLVCBS-UHFFFAOYSA-N 508.553 5.023 50 10 KKGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(I)cc3)cs2)cc1OC 2314490349 XKEJJIGXAPVVNL-UHFFFAOYSA-N 546.386 5.429 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591731 CNBNFPAYZXXUHL-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592663 ZQVBIFPEMZKVII-MHZLTWQESA-N 511.647 6.021 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593635 QESRWSUPMHBDLQ-PZGXJGMVSA-N 523.702 6.676 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314617467 YVTYXOKHUXWLOD-UHFFFAOYSA-N 570.605 5.625 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314618152 IFNFKNZJLLMKPO-UHFFFAOYSA-N 544.611 5.357 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618281 KOGPDVKUZCPBNJ-VWLOTQADSA-N 554.622 5.629 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)c1cc(Br)c(Br)s1 2314770815 VNZAIZVPUNRMAJ-UHFFFAOYSA-N 519.214 6.565 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2316718937 YZIZFKLHVXACCZ-OAHLLOKOSA-N 593.939 6.771 50 10 KKGE COc1sc([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2317772427 CKPWQJLEMYFQET-NSHDSACASA-N 522.427 6.262 50 10 KKGE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329524217 IKGDGOAAZFRBQA-NDEPHWFRSA-N 527.646 5.517 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(F)ccc1C(F)F)C(=O)OC(C)(C)C 2363553283 QXOLHOOKVSBGEV-IBGZPJMESA-N 501.327 5.731 50 10 KKGE BrC[C@]12CCCC[C@@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377355206 PUOOSILPXOYBNQ-CJNGLKHVSA-N 513.055 5.441 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](OCc1ccc(I)c(Br)c1)C[C@H]2Br 2377592735 CEVYZUJMCICZTK-HGGPSHQYSA-N 514.039 5.913 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 35131365 RJJSDZXBCKTZFF-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 38604354 OSGBTRGMGVACEC-WPWMEQJKSA-N 508.622 6.027 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650906 UJQQCCZXDHMWGR-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651542 NAHFSCVKDKJWTC-SANMLTNESA-N 519.395 5.775 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38682186 OXTZBOBFPNBXMY-XMMPIXPASA-N 513.402 5.918 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCCC(C)C 38684332 HVYCOPCDIHWCIY-GDLZYMKVSA-N 512.606 6.256 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825801 DBBNZDMVNZGEOQ-AJBULDERSA-N 507.377 6.166 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 58895274 PAUPNMJPXCZFPP-KPHTWCJLSA-N 520.601 5.504 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1 58992836 LEJRYWDRMBKUAV-FDAWAROLSA-N 555.660 5.008 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)ccc1OC(C)C 97914675 MQKPYAGOJJQADN-SANMLTNESA-N 505.030 5.379 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 100061920 VAXFVSUNMSEKPQ-NUGSKGIGSA-N 541.583 5.456 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 100327629 KXFFGBAXVDPZQG-WHXCVRPHSA-N 531.834 5.654 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Cl)cc1Cl 100328584 UOWSCESVRNJBKK-IURWMYGYSA-N 589.273 6.421 50 10 KKGE CCOc1cc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100983385 JIZCLVXOYRYMGU-ALWIMONLSA-N 584.610 5.195 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 101036743 KGDFRHSEZFYXBZ-RUZDIDTESA-N 537.069 7.982 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccccc1Br 101134695 APFXVBSYVCHZKP-UHFFFAOYSA-N 527.422 5.930 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241281 UFVZOEZAQZXWQB-UZEPBSNMSA-N 562.489 5.590 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246038 DSQPNDZSABNUQG-VBGHIBASSA-N 550.511 7.490 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 101336980 SQPWKKFELLSDGT-RBABYGSYSA-N 536.632 5.408 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101338057 YWNOXCIZXMGLOR-YZSQISJMSA-N 532.575 5.522 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101375781 MWYJJHNBXFBUPB-VWLOTQADSA-N 539.415 6.618 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101378390 CMKAPDQQANNPHE-JOCHJYFZSA-N 574.502 6.154 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380063 JGBWNDSOIIELKV-WJOKGBTCSA-N 553.014 6.294 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101386762 YUXZXNNMLBEQMW-RQZFFVEVSA-N 584.575 6.143 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 101390149 PEDUKOKKZZVPOW-AREMUKBSSA-N 551.470 7.517 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)c(C)c2cc1Cl 101391356 ZFBNIHCZTADXRY-DEOSSOPVSA-N 549.808 6.903 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101395262 GXDYIFXSWUMKHF-NDEPHWFRSA-N 559.018 7.020 50 10 KKGE O=C(COc1cc(Cl)ccc1Cl)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101647249 ZSLGMLPJDYPXND-IADYIPOJSA-N 567.654 5.855 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 101698473 WVKKHAFJEGSADC-GFXGDVFHSA-N 549.463 6.644 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)sc2c1CCCC2 102847189 NJNSRJGFEGSPHQ-VLGSPTGOSA-N 540.601 5.149 50 10 KKGE CN1/C(=C(\C#N)C(=O)C/N=C2C(=C3/Sc4ccccc4N3C)/C(=O)CN/2CCc2ccccc2)Sc2ccccc21 102848828 YWZIHKGMCDFDQE-LZONKQQESA-N 577.735 5.512 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1 103755125 WZJWDMPEKKFKCW-YDZHTSKRSA-N 566.439 6.740 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 103884607 HKAYCQIJIOTXRY-LGUFXXKBSA-N 538.604 5.167 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C 105049815 FRHNPJLLTYKMKD-GRSHGNNSSA-N 530.249 7.497 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)c2)cc1 110554593 FMGUVYCHKBHHTR-UZWMFBFFSA-N 545.664 7.074 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 204881933 ODSRALKJXTXMBT-QAUCNWNASA-N 577.011 9.272 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 205657265 LVJGGXXCQSRALC-BRNRZMGGSA-N 552.671 6.864 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccccc2Br)cc1)c1ccc(NC(=O)C2CCCC2)cc1 252643285 ZTVCGMYGNNHFCC-UHFFFAOYSA-N 534.454 6.311 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Sc3nnnn3-c3ccccc3)o2)cc1 254569891 XIZZXNWBIFLDFQ-UHFFFAOYSA-N 546.697 6.690 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC 254627834 ATMCYPGNMOUMDD-UHFFFAOYSA-N 573.719 5.808 50 10 KKGE COC(=O)c1ccc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 256022818 LJHFQUKNSWISNX-DOPJRALCSA-N 539.058 5.064 50 10 KKGE C[C@H](CCCO)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)n(-c2ccccc2)c(=O)n14 575417532 YVFROTRYFPTITL-BRBIHXEKSA-N 647.977 7.206 50 10 KKGE in-vitro CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616582859 AGVGARCDVYETCC-SANMLTNESA-N 511.783 6.749 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1scc(Br)c1Br 705409281 MGHNHAPZMHLHCA-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCOCC4)cc3)c2C)cc1C 725382223 UTUZDVHTCHCOCF-UHFFFAOYSA-N 523.475 5.070 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3cc(C)cc(C)c3)o2)cc1 725427732 DQWMEPJLAQIUGK-UHFFFAOYSA-N 593.105 5.338 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1083930854 HJXXMIVZKVFQOK-UHFFFAOYSA-N 538.354 5.845 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1083965824 VNABBBSSGUMEAF-DEOSSOPVSA-N 633.439 5.150 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1083984103 NFZHINFOJVGNBT-UHFFFAOYSA-N 556.732 6.180 50 10 KKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 1084108708 SHNPCRLDIFVEIG-WOJGMQOQSA-N 504.368 5.641 50 10 KKGE CC(CCc1ccccc1)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084172057 OUEHNTNLGMMOPM-UHFFFAOYSA-N 560.119 6.782 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084426410 QIMQTONXKVYSQR-UHFFFAOYSA-N 625.086 7.202 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1084447814 UWQFFKCDLIPHJJ-UHFFFAOYSA-N 580.422 6.195 50 10 KKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccccc1Br 1084519128 DWYPSGCHBYUFIB-UHFFFAOYSA-N 522.624 6.208 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084568850 MHLFSXFSEAWYNV-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE C=CCOc1c(CC=C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084578971 GUYLCNJYBPVDHT-UHFFFAOYSA-N 505.618 6.519 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)cc1 1772746527 WEFZSVFTRWKFLW-UHFFFAOYSA-N 519.907 5.992 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccccc1Cl 1772754834 XVMODTDXZIQKJH-UHFFFAOYSA-N 559.888 6.517 50 10 KKGE CC(C)(C)c1ccc(COc2ccccc2C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772755004 GFKOCSLGDNKBHL-UHFFFAOYSA-N 550.149 7.582 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1OC 1772755558 MDDGCDCTTPEULW-UHFFFAOYSA-N 528.241 5.237 50 10 KKGE FC(F)(F)c1cccc(N(CP(c2ccccc2)c2ccccc2)CP(c2ccccc2)c2ccccc2)c1 1857786163 XQCYDEACIXDQON-UHFFFAOYSA-N 557.536 7.693 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681558 QLQUFMMFAASSJT-GOSISDBHSA-N 525.314 5.579 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCCc1ccccc1 1865688473 SMKJGDZTKGLXSW-NDEPHWFRSA-N 510.569 5.227 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OCC 1865689613 UHYWJRVBOINBCP-LJQANCHMSA-N 549.347 5.669 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865694760 AXTYQOHJWBTKKS-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697175 OPPSRKCZDOQBLN-MHZLTWQESA-N 522.605 5.621 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703050 LRBXAKNNRNBLKQ-HHHXNRCGSA-N 545.470 6.906 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704596 ZMIMAABLBBCELT-MGBGTMOVSA-N 578.647 7.688 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705203 OMRBRWAHJLUHHY-OAQYLSRUSA-N 536.897 5.982 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 1865705257 PPMWXYQUAFTHRC-SSEXGKCCSA-N 552.634 6.653 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712253 UAIUCPHTACGRTR-XIFFEERXSA-N 576.656 7.498 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866737385 UWZVQNVWEJJOGS-KAYWLYCHSA-N 573.740 5.972 50 10 KKGE CSCC[C@@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867062098 CEGQFBNNDUXDRW-XMMPIXPASA-N 500.649 5.898 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1C 1868455764 BKSOKBNPCAWHNL-RUZDIDTESA-N 539.636 6.768 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 1924602202 UGGRTZZOSCGPIH-HNNXBMFYSA-N 595.976 8.099 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@H]32)c1Br 1924609499 YOBKQAWGRXUPEC-JXOAFFINSA-N 507.911 6.908 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2csc(Br)c2)c1Br 2024295876 VUSFLDCNQHMROE-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE CCC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2025343519 ISGVPXVVMHLACH-RRQHEKLDSA-N 509.927 7.298 50 10 KKGE CCCC[C@H](C)CC[C@H](Br)c1c(Br)sc(Br)c1Br 2086056523 IPFGCSDCUPECPN-IUCAKERBSA-N 525.970 8.078 50 10 KKGE C[C@H](Br)CCc1cn(-c2c(Br)cc(Br)cc2Br)nn1 2132752972 GZATVZVKMKEARN-ZETCQYMHSA-N 516.857 5.271 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(F)c1Cl 2136966202 HLWKNQMLVNQUIP-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141473992 WETSBQOEZGMBJJ-LLVKDONJSA-N 645.607 6.717 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)c(C)cc1Cl 2142286472 CZEAATUWEUIUBH-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(Br)ccc1I 2155826912 ZIAYQRAFDWRAJI-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1cc(Br)ccc1I 2179637253 SGTKHEAVGOXYNH-ZWNOBZJWSA-N 515.027 5.127 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2200838370 PMXKFUHJQXOFPW-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE CC1(C)[C@@H]2CC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206396164 SWMDDKDLRZUXLG-WFEFGEHDSA-N 550.354 7.699 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1Br 2206398519 WAADQOJGIXAFIJ-KDZIRCDLSA-N 594.805 7.999 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1scc(Br)c1Br 2218596815 HVPDCCXZYMIBBT-JTQLQIEISA-N 542.287 7.265 50 10 KKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2222047673 LISYYWOMJDFBFB-JQWIXIFHSA-N 589.185 7.580 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232512331 NHXNBKBKCDUTQU-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)s1 2234469826 JBDMZSVLQHYJET-LBPRGKRZSA-N 503.119 6.972 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277952593 HCRBEPGMGWYXTI-NSHDSACASA-N 515.869 5.695 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277956329 OMVCDUXVFWHZBG-NSHDSACASA-N 562.840 6.634 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(I)cc2)cc1 2293713042 KCUBVTFYKNBQGI-UHFFFAOYSA-N 587.255 6.741 50 10 KKGE N#CC(=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 2294137546 MAVUSCRCTMDYMQ-UHFFFAOYSA-N 566.499 6.433 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3ccc(CC)cc3)c2-c2ccccc2)cc1 2294193044 KJKQIYKTVFJQQT-UHFFFAOYSA-N 565.673 8.096 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 2295459643 IVOONLCYDUPIPA-UHFFFAOYSA-N 552.337 5.139 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 2296703387 BKVLRTWUSJDGIS-UHFFFAOYSA-N 506.606 6.579 50 10 KKGE COc1ccc(OCC(=O)NN=CC(C)=Cc2ccc(C=C(C)C=NNC(=O)COc3ccc(OC)cc3Br)cc2)c(Br)c1 2297321490 SWNAERQPBGUDJW-UHFFFAOYSA-N 728.438 6.397 50 10 KKGE Cc1cc(I)cc(C)c1OCC(=O)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2297451852 OKOCYAGMPSBWQK-UHFFFAOYSA-N 623.241 5.411 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2ccc(I)c(Br)c2)s1 2300994525 NWQMQYLIQPVCHI-JTQLQIEISA-N 573.846 6.701 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1 2313518122 KSJKZPFWLVYAIA-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2ccccc2c1 2313567390 JSCHBAJKWNKLQS-UHFFFAOYSA-N 582.498 6.446 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2313567823 LPKRWCZAMCDFLF-UHFFFAOYSA-N 501.797 7.089 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571556 YWVMBDDCCLLCEH-UHFFFAOYSA-N 593.204 6.421 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 2314532578 LOPMZYKNXUYADI-UHFFFAOYSA-N 528.952 5.171 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@@H](C)C2 2314571651 JLIBSZFNXIKHNS-QGZVFWFLSA-N 511.603 6.403 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591916 HQPYNZABQWHTAJ-XMMPIXPASA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314617449 YPVZUOUTPGTOMQ-UHFFFAOYSA-N 546.558 5.508 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314618507 ORINFTIUHFXEOY-UHFFFAOYSA-N 608.698 6.900 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314619015 YFCPRRFZPXGNAD-RUZDIDTESA-N 522.605 5.018 50 10 KKGE Cc1nc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)n1C 2315631495 URTXHYLNUYTXPK-LURJTMIESA-N 542.316 6.168 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 2316725189 FYVYQIBEIIVHCN-RXMQYKEDSA-N 607.185 6.622 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331396757 AGYTVXLRVAIUSU-UHFFFAOYSA-N 516.579 5.803 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2nscc2Br)c1Br 2339655457 ZCLSUVCHYAJOCN-VIFPVBQESA-N 534.893 6.232 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 38606123 HAJBUSFOHFDQLV-KOEQRZSOSA-N 512.635 5.280 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38683091 AKTQDZYQTGTNQV-IIMAJNMQSA-N 526.633 6.580 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 40960044 YLLBKWRMCUQXPC-RWPZCVJISA-N 515.835 6.163 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1 59248805 YGNNRROHGAZHKB-FDAWAROLSA-N 510.546 5.169 50 10 KKGE O=C(CCC(=O)N/N=C/c1ccccc1OCc1ccccc1)N/N=C\c1ccccc1OCc1ccccc1 100232461 ZFZVWJRHJXBKAD-NRYMNODQSA-N 534.616 5.225 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245718 UFAQLVNODIVTGB-RAMZYJDASA-N 518.038 6.112 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101332951 HYVCZWGCJDWGEQ-HYARGMPZSA-N 545.437 5.703 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101333634 GTLKDLDHYXTMJV-LDQYXZLGSA-N 534.660 6.344 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCCC(C)C 101375117 XSFCSCOQNPBUTR-YTTGMZPUSA-N 556.659 6.330 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccccc5Cl)ccc43)cc2)cc1 101378561 FOYNWAPDDFEQTJ-FQUAKNSKSA-N 549.026 7.064 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379184 LWPLWOOHVQKPIZ-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379609 NGPGJAJSUWGWTC-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384634 VSVMMFJQWBTTNJ-PMERELPUSA-N 573.432 6.775 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101387079 RWVZRTHAWAIVHF-GDLZYMKVSA-N 567.529 5.759 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101394170 OITFNFLQCZWEFM-VWLOTQADSA-N 581.477 7.443 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101395352 USSYCCCHVCUYRQ-LJAQVGFWSA-N 552.583 5.808 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 101396483 RICXHWOLDRVIFX-AREMUKBSSA-N 545.060 7.561 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 102665829 BVAKQILYKFWWLP-FNBPXTNNSA-N 538.854 6.167 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 102932909 JIKJTXVUNOKBPW-PXNMLYILSA-N 577.218 6.797 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(/C)CC(C)(C)c2ccccc2)c2cc(C)cc(C)c2)cc1OC 103896065 UJBVIBRMBBSTLX-SXBRIOAWSA-N 551.709 5.376 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2cc(C(C)(C)C)cc3c2Oc2ccc(C(C)(C)C)cc2C3(C)C)cc1 114350846 SNZTVUCDSZKUNW-UHFFFAOYSA-N 534.724 9.088 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 150408290 JDYQVJTZCMOUMU-UHFFFAOYSA-N 637.394 6.038 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCc4ccccc4)c(Br)c3)cc2)cc1 150422135 QRJWJFSHWKTNPN-UHFFFAOYSA-N 673.633 6.570 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 150431902 OOQPFRUPTRQTEN-ZUKORFBESA-N 646.478 5.360 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463271 CMYINAQRJRFBHT-WJOKGBTCSA-N 661.925 8.726 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@H]2CCC[C@@H]2P(c2ccco2)c2ccco2)c1 200124554 YLYQEMBYAKXUDN-OYFGVDPJSA-N 502.575 7.229 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1 206396369 PBVSIJTXMIFVGR-NRSWLNAZSA-N 574.633 6.125 50 10 KKGE C[C@H](c1ccccc1)c1cc(CO)c(O)c(SSc2cc([C@H](C)c3ccccc3)cc(CO)c2O)c1 206704528 RRQBBIRJCZYLES-WOJBJXKFSA-N 518.700 7.185 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 214304538 IGXGWBFVKWZYEO-USHMODERSA-N 550.659 5.820 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 214378073 HXTWNKAVVCBVAB-RHANQZHGSA-N 528.612 5.957 50 10 KKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 252587505 YSPVXIYTLPBXDC-UHFFFAOYSA-N 562.851 6.698 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(C(C)C)cc2)cc1 252626348 RAUIUVJSUPRDLT-YHYQKYPGSA-N 517.073 6.231 50 10 KKGE CCCCCCCC(=O)NN=C1CC[C@H]2C[C@H](OC(=O)c3ccccc3)C[C@H]1C2=NNC(=O)CCCCCCC 254295557 PJTFIWCSJCSZJI-GMQQYTKMSA-N 552.760 6.697 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 254521062 QSIKETLMFYAUIR-QPFJYYDMSA-N 639.709 6.296 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)c1cc3n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 254753713 QCDAPCLAWUINIF-VEIGQSBUSA-N 527.513 6.250 50 10 KKGE C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C/C=C\C[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1 255233780 MGVIMUPHKPHTKF-OWZZQVFLSA-N 867.086 5.951 50 10 KKGE in-vitro C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 256392859 SPHUIJWPZSWHEE-AUPPYIBOSA-N 510.923 10.671 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](n2ccc(O)nc2=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(=S)Oc1ccccc1 504774038 SWCSKDJCJJBGIZ-MWPYFISESA-N 736.963 7.995 50 10 KKGE Cl[C@H](c1cc(I)cc2c1OCC2)c1scc(Br)c1Br 705447686 KBZNISQDLKHWLE-LLVKDONJSA-N 534.438 6.141 50 10 KKGE O=C(Nc1ccccc1-c1ccccc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238588 VYFWGINGUOOOKJ-RUZDIDTESA-N 528.983 7.386 50 10 KKGE CC(C)(C)c1cccc(N(C(=O)CCl)[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)c2cccs2)c1 725238719 OUHPZHOEYLQBRV-AREMUKBSSA-N 528.093 5.847 50 10 KKGE CC(C)(C)c1cccc(N(C(=O)CCl)[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)c2cccs2)c1 725239088 WMABNPIQIGQWME-AREMUKBSSA-N 516.151 5.836 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 725382950 BAKIQYPMUQITAV-UHFFFAOYSA-N 531.749 6.162 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725398553 YYFRBUYTWFPWCR-NRLRRCJSSA-N 663.602 7.695 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1083932308 BJKFEUUUXGQWOJ-QFIPXVFZSA-N 510.974 5.010 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Br)c2C)c1 1084292960 GDAASMZQDRORSP-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE COc1cc(OC)cc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)c1 1084335825 VNFIYKDTPUDMGD-UHFFFAOYSA-N 533.806 5.471 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 1084517806 KFKSHVQUXNUBTF-UHFFFAOYSA-N 595.508 5.981 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 1084569962 LQSOJMUTMQCKLC-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1 1084590644 WJVXPZIKRMPWRR-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cc2ccccc2o1 1084622719 KKWVUONGWXIQIM-UHFFFAOYSA-N 526.552 7.230 50 10 KKGE O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1 1565517618 URARFWYBOGFYMH-UHFFFAOYSA-N 611.630 5.522 50 10 KKGE CCCCCCCCCCCC[C@@H](CCCCI)CCCCCCCCCC 1772502294 UZSKVCRYJPHFPF-MHZLTWQESA-N 506.641 11.050 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744436 VISHEZCHUKDRJK-UHFFFAOYSA-N 509.581 6.040 50 10 KKGE C[C@H]1C[C@H]2[C@@H]3C[C@@H](C)[C@](OC(=O)c4ccco4)(C(=O)CCl)[C@@]3(C)C[C@@H](O)[C@]2(Cl)[C@@]2(C)C=CC(=O)C=C12 1848433094 OTOVEDFARPCAAR-XMZMYXNASA-N 535.464 5.115 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701079 LBRNOZVMCUHKIB-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1OC 1865701175 OHVSEGZZTMPLNU-MRXNPFEDSA-N 511.287 5.433 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865703467 WCCZAVQKODPVAH-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704704 CEUCPTXADCPMPI-JOCHJYFZSA-N 550.924 6.041 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707766 FLJNFLXHPFDGKK-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(Br)c(OC)c1OC 1872751385 FRWTXWSIPBIGPU-PDGQHHTCSA-N 509.328 5.826 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)\c2ccccc2)cc1 1872757814 XFPPQSXQNASLGC-KOGQMRHXSA-N 515.034 7.904 50 10 KKGE FC(F)(F)c1cnc(N(Cc2ccccc2)C2(CBr)CCC2)c(I)c1 1915768494 OGLZKGRPZDBZGD-UHFFFAOYSA-N 525.150 6.029 50 10 KKGE Cl[C@@H](c1csc(Br)c1Br)c1sc(Br)cc1Br 1922888321 YZFUIVNNSBVYOT-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922929283 HVNLEXNSTMSASA-SNVBAGLBSA-N 535.896 7.276 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(I)c1 1923054068 ADWFWORTRIBKLB-MRVPVSSYSA-N 544.836 6.998 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066438 PMEDZKJFYAWVJW-VIFPVBQESA-N 538.324 7.482 50 10 KKGE CCCC1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568842 MKRPPZHPELKFHD-QXUHLLMWSA-N 509.927 7.298 50 10 KKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924592340 YONJBWDFRMJKIU-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE CC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780458 SQHMUJMMQDLTEQ-KORWRZNCSA-N 554.740 7.219 50 10 KKGE CCC[C@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121073857 RMLAFTLTJLQYFN-QMMMGPOBSA-N 516.857 5.791 50 10 KKGE COc1cc2c(cc1Br)nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2137609082 PDIWTGLRRFOGLO-HXUWFJFHSA-N 526.906 7.200 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)cc2)cc1Br 2137639691 ITMVVHWOKGVHSS-CQSZACIVSA-N 516.398 6.200 50 10 KKGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2Br)CO1 2179859188 ZKZOFVREVDTLPO-KRWDZBQOSA-N 517.283 5.102 50 10 KKGE Cc1cccc(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408706 LLALMJXKFZERRC-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Cc1ccc([C@H](Br)c2sc(C)c(Br)c2C)cc1I 2217864989 AAPLDDXGQCVRNW-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)c(C)c1Br 2235603120 HMBLNMGLQKOTHF-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1sccc1I 2269606136 XKIDBLZQLCLOMI-CYBMUJFWSA-N 516.036 6.225 50 10 KKGE Cc1cc(Br)c(CBr)c(N(C)Cc2ccccc2I)c1 2280257655 NLHWJFISSXFLEM-UHFFFAOYSA-N 509.023 5.893 50 10 KKGE N#CC(=Cc1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2295623517 QLHXDSVEAWAUQR-UHFFFAOYSA-N 557.632 5.632 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1nc2ccccc2s1 2296543709 ZZAZSURPUQVJDO-UHFFFAOYSA-N 501.365 5.923 50 10 KKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2ccccc2c1 2313567620 JAGNOJRLJKCJCA-UHFFFAOYSA-N 512.347 5.027 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 2313631897 YIXPVNUTIYFXIK-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCCn1ccnc1 2314414675 IPTGNIVQDOKJKG-UHFFFAOYSA-N 563.061 6.082 50 10 KKGE Brc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314448374 HEJQCFRNIZCJPM-FQEVSTJZSA-N 525.078 7.469 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(Cl)cc3)nc12 2314534103 YLWWDLPCOPCWSK-UHFFFAOYSA-N 524.886 6.013 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593119 HTVGEZKYRRUVHD-JOCHJYFZSA-N 500.451 5.845 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2317780149 ZGPBQBIUQACJIL-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235147 VZRIWIQWIPCNKW-LLVKDONJSA-N 506.765 6.394 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1C 2331402715 IXQILWWZUPNDSN-UHFFFAOYSA-N 521.598 6.182 50 10 KKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccs3)cs2)cc1OC 2331450989 ZJCPBLJGTOQPJJ-UHFFFAOYSA-N 503.487 7.666 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)cc1Cl 2331472504 ZJFJFFZJZCAJOC-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 2335298025 ANGINQXUTKSXMD-GOSISDBHSA-N 519.035 7.958 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2338859452 GLDMDOBCBQOUFV-JTQLQIEISA-N 536.287 6.107 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2363844899 VUYSWVJCYVFLFK-BDODKLCJSA-N 519.402 6.427 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1I 2365188792 OHPMJZXBFRSUES-SNVBAGLBSA-N 576.867 6.942 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1nn(C)c(Cl)c1Br 2365227268 DDUFCRDPNZKKGC-VIFPVBQESA-N 509.826 6.137 50 10 KKGE Cc1ccc([C@@H](CI)OCc2cc(I)ccc2Br)cc1 2367602003 OWIHKBZGWBPZIB-MRXNPFEDSA-N 557.007 6.055 50 10 KKGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(I)ccc1Br 2367689962 TUVYTVWBUDYNQX-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE BrC[C@H](Cc1ccc(I)c(Br)c1)Cc1ccccc1Br 2377331876 LDMAHGLEKHDQNE-GFCCVEGCSA-N 572.904 6.613 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1 35350957 ZGVGONXHBOYIRJ-RRAHZORUSA-N 510.597 6.342 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38685464 ISYBZHYOMOTMSC-JGCGQSQUSA-N 518.613 6.775 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cl 39858752 NQQMOERZGGOZTP-ATVHPVEESA-N 505.361 5.956 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)ccc1OCc1ccccc1Cl 40911102 NLYRSEGTPZCORD-LGJNPRDNSA-N 503.780 5.219 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N 59335375 YDGYEYDGZSNMDK-NHDPSOOVSA-N 502.368 5.762 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)NC1CCCCC1 59535065 GXKWEEVYGAVAQI-LDADJPATSA-N 518.249 6.146 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100232107 QAPOZKWGJFVBTO-SLLOZXFSSA-N 555.425 5.089 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 100236382 ZFHJPWZMBVIQAX-RQUFEXHESA-N 605.529 6.943 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 100451708 DYUDAUAKPPDCEN-MGCJZSHXSA-N 536.253 6.299 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244761 IZYMXDSQCHKMFF-OGCOBRASSA-N 572.008 6.822 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101307143 PNZYHPCDEGINNF-OAQYLSRUSA-N 574.458 5.158 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101336378 HLEQZIRDBYYCAF-JFLMPSFJSA-N 513.601 5.652 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337672 XUSALUZJAVPHQU-ZZUBLQEUSA-N 528.612 6.210 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCCC(C)C)c(OC)c1 101368465 APHKMRNBXNKMID-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 101374029 AEDIPPKRKIZABI-HKBQPEDESA-N 534.612 6.855 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380323 NPURJYFZPWITGW-HKBQPEDESA-N 536.559 5.916 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382605 YKQZKPKBBNIAJA-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382917 SHXHRWKRUYZHJU-UMSFTDKQSA-N 573.048 7.438 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384599 BAUVVELZLNCNKF-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385137 WNXSSKJYFYJJTQ-WJOKGBTCSA-N 548.595 6.029 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1Cl 101392831 UXHVKKMAVAWCME-AREMUKBSSA-N 569.441 6.627 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCCC(C)C 101393395 HQHJGPJLHYPXSU-GDLZYMKVSA-N 556.590 6.751 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)ccc6c5Cl)ccc43)c2)cc1 101398191 RTWHPQQKGOOGBJ-LJAQVGFWSA-N 613.522 8.533 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399338 DLINSCSMICJAQX-XIFFEERXSA-N 621.089 8.036 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 101595335 OLIDDSKKPKQXRE-ZTKZIYFRSA-N 538.398 5.250 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614451 BDHZLIMMNSIUOM-QNKGDIEWSA-N 593.865 6.914 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 101711051 FKUBGFZDZSCDTH-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)sc2c1CCCC2 102846964 AVQLGQXNRUNQBA-ICFOKQHNSA-N 619.497 5.912 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 102851203 RAXIREXTBJLPPU-PDGQHHTCSA-N 546.819 6.094 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c1 110557886 XIXZGYFEADFVQA-LKUDQCMESA-N 559.736 5.706 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1Br 124610752 LXDUYUYDQXJQIJ-CYBMUJFWSA-N 551.820 7.477 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150461977 FDNYJWXOGNRHIN-SSEXGKCCSA-N 643.548 8.542 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485166 PZPYPRQAMGDDEQ-WJOKGBTCSA-N 663.510 7.044 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C2=O)cc1OC 150497999 VYVXOPROONQROL-STKMKYKTSA-N 668.725 7.110 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 161110228 HKSXTNIIQDNHGL-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CS[C@H]12 196051995 OOIQPSQFCZGLFG-JPCITIMXSA-O 759.888 7.210 50 10 KKGE in-vitro COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1C 206509186 PBBPAXHQBYVWKL-DLTKUIBBSA-N 540.616 5.642 50 10 KKGE O=C(CCN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 211936883 JIEYIZNWYDQSBC-NBVRZTHBSA-N 537.132 5.261 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214347193 QZLITDCHUJPPMU-ZZAQJSIPSA-N 540.623 5.698 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214349319 YRRBBDLGJWKMHK-GBRROFQCSA-N 645.785 5.795 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(Br)c1 233818942 SMCVJBMCAJQGED-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2cc(I)ccc2Br)cc1C 235844519 OXWVDYRTRPEERG-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE CCc1cc(C(=O)Nc2ccc(C(C)=NNC(=O)C3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)cc2)cs1 254318667 GXCJXYIFHABMSN-UHFFFAOYSA-N 566.749 5.121 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575346883 YPNOPKDREFSCOE-FEDRVQBRSA-N 904.120 8.120 50 10 KKGE CCO/C(O)=C(\C#N)[C@H](c1ccc(OC)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145760 YGRHOGUIPLPHJO-XUURCLJPSA-O 523.407 5.038 50 10 KKGE CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1083070976 APKSFMCFWBVVSU-GLKGTMTBSA-N 535.776 10.126 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2c(c1)OCO2 1083965217 FQSGBZPHQSCKRU-RQZCQDPDSA-N 590.257 7.008 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 1084006734 CGZXSELRMDFBJS-MOHJPFBDSA-N 613.342 9.426 50 10 KKGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 1084136565 IZBADIKYLHGPTG-UHFFFAOYSA-N 508.372 5.089 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1084229872 XOSZCWSRPJNAEI-UHFFFAOYSA-N 791.808 7.889 50 10 KKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084242549 ANKDOOLQEMMMOU-YVLHZVERSA-N 512.747 6.135 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc([N+](=O)[O-])c4)cc3[N+](=O)[O-])sc2c1 1084354767 OGJSSDJODJJGLM-UHFFFAOYSA-N 612.649 6.589 50 10 KKGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084409536 ICKSPVIGFKPECP-UHFFFAOYSA-N 584.901 7.756 50 10 KKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc(Br)ccc1O 1084425009 IQGLZYRNCIYUFJ-UHFFFAOYSA-N 519.182 5.142 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084564638 BYUGINPJEZHOGG-CAOOACKPSA-N 545.806 6.899 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 1772746735 DBXGXRRAVYDBPM-UHFFFAOYSA-N 540.536 6.040 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc(C)c1Cl 1772747808 RJRSHFTYFQIFKQ-UHFFFAOYSA-N 527.020 7.215 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1772754969 DCYNNIQRXIPONZ-UHFFFAOYSA-N 607.382 7.701 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCc1ccccc1 1772755162 RCGXKQVFCABBDT-UHFFFAOYSA-N 616.990 7.099 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865682382 NGGHIYDTOTWFII-GOSISDBHSA-N 517.349 6.169 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685402 IGFMHNMWWBJPEX-JOCHJYFZSA-N 503.389 6.132 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 1865688120 JXISLPBRRMBQKV-GDLZYMKVSA-N 536.632 5.948 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688623 XBRUNGCITKCYNW-HXUWFJFHSA-N 529.822 5.563 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689403 RJPQCRGBTSSTIX-QFIPXVFZSA-N 545.393 5.243 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693675 PWIXSSCZFSFPMC-NDEPHWFRSA-N 508.597 6.129 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695108 KFBAGBQVYBMHGJ-MUUNZHRXSA-N 506.606 5.608 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865697180 OTZWCNFOUQBLJV-FQEVSTJZSA-N 518.923 5.950 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1C 1865703506 WZBUMWVKELRVKJ-HKBQPEDESA-N 548.687 6.615 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704388 UTDLEAFRMNMUTF-FQEVSTJZSA-N 502.924 6.008 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865707294 SRTLYHKAFXWFNF-GDLZYMKVSA-N 563.658 5.403 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2)cc1 1867026606 LELIWMWZSPRRIL-HKBQPEDESA-N 549.696 7.099 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868231330 CPCHLHYQNNMFAC-HXUWFJFHSA-N 507.685 5.607 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CCO2)cc1 1868301353 OQYOVDRCHLRJFV-MHZLTWQESA-N 507.663 6.909 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4ccc(Cl)cc4)CC3)n2)c1 1868505885 MIWNFUTVVBPYCC-UHFFFAOYSA-N 544.080 7.170 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c1 1872754788 JGLRENSYHJLHSD-CEUZYJICSA-N 517.651 6.324 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)c1OC 1872758992 AEUZVXQORXZZPK-BZZOAKBMSA-N 514.603 6.450 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1C 1872795090 MTQMALDUGXGLTR-LPYMAVHISA-N 517.050 7.741 50 10 KKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1876919124 OTYXJBJBNUBNSO-VIFPVBQESA-N 598.774 7.291 50 10 KKGE Clc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924582799 BAPVKOFPTVQGCN-MRVPVSSYSA-N 524.297 7.173 50 10 KKGE Cl[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995047557 IHQYSAXWDOFBHM-STMJTCIHSA-N 561.131 6.800 50 10 KKGE CC[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 2004479620 RHQSECFVYGBHKW-XINAWCOVSA-N 519.869 7.153 50 10 KKGE CCCCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780690 WDDHJRMUYYFHMW-ZETCQYMHSA-N 556.756 7.753 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@H]2COC[C@H]12 2085492391 KSHJNMCQWVQIKJ-OBEXGGKMSA-N 524.272 5.909 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3sccc3I)cc(Br)c2O1 2090468631 XTIGEIKZRHULEZ-KRTXAFLBSA-N 514.020 5.923 50 10 KKGE C[C@]12CO[C@]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141475305 LNFSIVROAKCVGL-RWMBFGLXSA-N 582.750 6.742 50 10 KKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2156334059 GRTDKNQJGMXXMH-SNVBAGLBSA-N 517.043 5.231 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(I)cc2c1OCC2 2169667627 HUTTYDQOXQCNOB-CQSZACIVSA-N 514.503 5.298 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@@H]32)c1Br 2206401332 IPHQIGDYRDXDSB-ZLPBOKGHSA-N 592.789 7.465 50 10 KKGE CCCC[C@@H](C)CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2207146134 WYSRHZMJAOCRGL-SKDRFNHKSA-N 554.386 8.623 50 10 KKGE Clc1cc(COc2c(Br)cc(CBr)cc2Br)ccc1I 2208035956 JACYMUCFALQYGR-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c1Br 2218093186 VKIMXZRHFOMABS-CVUIIHQFSA-N 523.910 6.287 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2225887527 ZYMVRMMCQAVKTM-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2I)c(C)c1Cl 2232512911 OXSURNZRQPTYJM-CYBMUJFWSA-N 532.416 6.947 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2232516123 GMWLXJSWGUYHPJ-LLVKDONJSA-N 589.707 8.105 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(C)c(I)c2)cc1Br 2232837959 ZKAZYNKFYBIEFA-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 2235609364 NIRIVJABBNEIJA-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE Clc1ccc([C@@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236086262 WNSRKCWOUIIFPE-OAQYLSRUSA-N 504.792 5.083 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 2293198202 HUZSWTMLNSBSTB-RUZDIDTESA-N 502.039 5.434 50 10 KKGE N#CC(=Cc1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571452 WSGXLKJUUMSQMA-UHFFFAOYSA-N 643.002 5.212 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630456 ADYHGSVGYFTCFD-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593943 WGMUGUOQGRBKBA-DCFHFQCYSA-N 511.647 5.561 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C(C)=C(C#N)C2=O)cc1 2314616871 LOKVMEZKKFQDSE-UHFFFAOYSA-N 514.585 5.649 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314617432 YFPPCTYNKLMZEB-UHFFFAOYSA-N 554.650 6.248 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314619542 AVJNBPOELMVTSD-UHFFFAOYSA-N 566.658 5.428 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314620375 OODRCDOCGBCWJG-UHFFFAOYSA-N 580.685 5.818 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2314643115 BYZJCLLWMISWRJ-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(F)cc2F)cs1 2331286631 SDGJSAIKJIPTST-UHFFFAOYSA-N 519.916 6.492 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2334776609 SHRNDWXKTZOLQC-HGDANNRKSA-N 580.778 7.753 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 2339682600 UKLMTJNOZKGRJG-JTQLQIEISA-N 556.314 7.574 50 10 KKGE Clc1cc(CBr)ccc1OCc1cc(I)ccc1Br 2341779867 PHUWFJDBINEMRE-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CS(=O)(=O)c1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361177522 JXTCDVRTZYNTMB-OAQYLSRUSA-N 510.247 5.916 50 10 KKGE COc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1C 2364233420 ADTQKEDWZZFHIN-JTQLQIEISA-N 531.868 5.509 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2c(Br)ncn2C)c1Br 2365195452 BOWRIWSOPLJDNF-VIFPVBQESA-N 531.868 5.509 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccc([N+](=O)[O-])c(C)c1 20175838 OMBURTSNSSCTJM-MUFRIFMGSA-N 513.506 5.144 50 10 KKGE CCOc1ccccc1N/C(SCc1ccccc1C)=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 20645686 GYEVQSRNWDYWSN-BGABXYSRSA-N 531.678 5.850 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl 33406723 WVERKLUCODLDQA-UYRXBGFRSA-N 500.904 6.882 50 10 KKGE CCCn1c(-c2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Cl)s2)nc2ccccc21 35554293 HLONKGPECUBSEZ-UHFFFAOYSA-N 503.411 5.322 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38683161 RQZMQIWARIEMMT-MHZLTWQESA-N 504.970 5.721 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 38683945 IEDDKPNIQIRSTD-PMERELPUSA-N 528.605 5.639 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 38686251 UWTKTBIENWVPPS-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 40530398 GLXHGZNTLANOGQ-AREMUKBSSA-N 514.965 6.621 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813673 KRRANQRPNRZVPT-DFKUXCBWSA-N 512.437 6.960 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 58890613 SXXCDRROCYYVAY-LLQGPRFRSA-N 516.041 6.290 50 10 KKGE Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 58890825 FHIOTKGKVBSFFL-FYFIDXDESA-N 513.554 5.154 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1 58892541 IUFGFANSHOORBR-XQFNZYGSSA-N 517.423 6.145 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 58893765 ALPSREMJHWZIFW-OXOGFPMKSA-N 525.443 5.699 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 58894833 NQUUBASSIPNEDV-WJUWAZFDSA-N 505.618 6.205 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59146754 FDVMEIKKWBYWFR-OGLMXYFKSA-N 518.526 5.872 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914875 HASPXURSCAPTBD-NDEPHWFRSA-N 515.094 5.673 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100235709 FQQGKQWWIQWUDN-VROBKZIKSA-N 620.371 7.426 50 10 KKGE COc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c([N+](=O)[O-])c1 100869403 IAUZPMBKFZFPFE-OAUYIBNBSA-N 555.061 5.228 50 10 KKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067460 MGYAEZVVUHFWPQ-UHFFFAOYSA-N 533.386 5.111 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101368216 NIXGSRHZKUSQRY-HHHXNRCGSA-N 563.448 6.320 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101372148 GCTOZFATGXRYOI-NDEPHWFRSA-N 567.469 7.398 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379031 MUCDWAZDQWLOLE-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101383088 DTTDSCNCAVICBJ-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 101384914 MIKOUDGASLLQJB-YTTGMZPUSA-N 601.486 7.392 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101390873 POAGOEYSDPURQH-NDEPHWFRSA-N 565.050 7.571 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 101397188 OYBSKXIADBSCDV-YTTGMZPUSA-N 564.682 8.145 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101727253 VWWKGJMJWQAJSK-XODNFHPESA-N 528.486 6.938 50 10 KKGE CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1 103806508 QKZOBJWIWFLGKR-CCVNUDIWSA-N 604.626 5.705 50 10 KKGE CCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 105051487 XHWLPTLTVQZCLG-JJNGWGCYSA-N 530.757 8.479 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 150420039 GIZRMCIDFNPNQM-KXJQYHRCSA-N 650.350 6.038 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150422095 VQEWNXZZUCKIIM-UHFFFAOYSA-N 657.384 5.701 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432878 CAVWMLHVPPXTTA-GTJUCTONSA-N 649.502 7.701 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463076 HHLWOEVAHQLYST-WJOKGBTCSA-N 627.480 8.073 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 150475273 AJDKPNBBJFYOEA-QGZVFWFLSA-N 639.533 8.463 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 159846939 GLVQHFYIUJCABZ-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Br)sc1Br 161203548 MBSNMXMFLGAHJA-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1 163261309 PNEXYPFREDIVNU-RBWYEQHESA-N 654.383 5.539 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 170152701 PPFHNIVPOLWPCF-SXYSDOLCSA-N 541.071 6.075 50 10 KKGE O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198741063 LMYAKRCRHKVVHU-IZYHBKOJSA-N 603.889 8.362 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214291980 ONFSABKJJRRRHO-CEUNXORHSA-N 576.628 5.886 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1OC 252630298 UYVBUYRDDULNQI-UHFFFAOYSA-N 602.687 7.205 50 10 KKGE Cc1ccc2c(-c3ccccc3)cc(-c3ccc(OCC(=O)NN=Cc4ccc([N+](=O)[O-])o4)cc3)nc2c1 252676455 XDEWSRVADHSOGT-UHFFFAOYSA-N 506.518 5.908 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253531007 ZIOPTNAQQBNLAA-CINQUSKXSA-N 649.788 5.330 50 10 KKGE biogenic CCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254395342 QCTGBNZOJHMYBD-UHFFFAOYSA-N 502.655 7.439 50 10 KKGE CCOc1ccc(/C=C2/CN(Cc3ccccc3)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 254400460 NIMAEIGAJWYFAX-CLIWZENYSA-N 519.645 6.145 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccc(OCc2ccccc2)cc1 254518963 NVOSEUWNPAOHQF-UHFFFAOYSA-N 500.554 6.402 50 10 KKGE Cc1nn(-c2ccccc2)c(O)c1C(=NNC(=O)Cc1c(C)n(Cc2ccccc2)c2ccccc12)c1ccccc1 254570562 HUGCSHFHXGVAMP-UHFFFAOYSA-N 553.666 6.309 50 10 KKGE O=C(CN1C(=O)C(=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21)Nc1ccccc1 254708067 UEOCBBAVRXLQNM-UHFFFAOYSA-N 525.568 5.021 50 10 KKGE COc1cc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 254740474 RTQNGZRFYUWSTF-UHFFFAOYSA-N 619.678 5.024 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1OCCOc1ccccc1 254745109 MZUJIAANNWPOKZ-UHFFFAOYSA-N 508.603 5.823 50 10 KKGE O=C(OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 255999263 RITGYQZMPNVVEG-SEZOVNKOSA-N 637.666 5.348 50 10 KKGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019819 GQEINFYWMYDUMD-SVMQPZJDSA-N 805.864 6.505 50 10 KKGE COc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@@H]3Br)C4(C)C)c(OC)c2)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019882 JYXNTDAPFPRGLE-XEGHCTPASA-N 758.548 7.566 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 256019933 MUQIWWZCIJTIOK-XGFFMVSESA-N 624.366 5.815 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 256028481 PDSQUVAQVBSABJ-UHFFFAOYSA-N 564.531 5.010 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nc3sc4c(c3c2=O)CCCC4)cc1 263632729 FWYADAJDDOGCQZ-UHFFFAOYSA-N 580.735 6.669 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1scc(Br)c1Br 705411598 YSRZTQXYBBGWKZ-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1Br 1082753834 PBTVJOKUDNBZPW-UHFFFAOYSA-N 516.779 5.136 50 10 KKGE CCN(CC)C(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 1084228194 BWUDEDDUCBAKIS-HAVVHWLPSA-N 514.695 6.371 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)ccc1OCc1ccc(F)cc1Cl 1084489087 LALCFYDNLVRGKF-UHFFFAOYSA-N 576.024 6.157 50 10 KKGE O=C(c1ccccc1)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)s1 1084630225 SBEILWZFACODQB-UHFFFAOYSA-N 866.988 9.724 50 10 KKGE CC(C)(C)[Si](OCC1=C[C@H](OCOCc2ccccc2)C2=C[C@H](O)O[C@H](CO)[C@@H]2[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1307318224 RKLZMEQGFZXALC-LZDNAHPASA-N 706.908 5.540 50 10 KKGE Nc1cc(C(F)(F)F)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614640124 FDPQVEXUWYVEFS-WMLDXEAASA-N 504.290 5.075 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c(Br)c1 1772752091 WWVCTLSUQMRJMQ-UHFFFAOYSA-N 562.464 6.674 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865682709 WCEKQEDECMZBAM-LJQANCHMSA-N 504.915 6.258 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693281 ISUPQSAMWTYWMR-DEOSSOPVSA-N 533.415 6.472 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865695793 TZEUMKPRDHEGKB-DEOSSOPVSA-N 532.522 6.005 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865697417 RWUSOGKIBJZYOO-OAQYLSRUSA-N 527.394 5.021 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1OCc1cccc(C)c1 1865704628 AKDMAWRNVNDZKF-HHHXNRCGSA-N 561.469 6.661 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712176 RLPDXTOGFCMIBR-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE Cc1ccc([C@@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866955029 DXQANTQRJDFSEB-SVBPBHIXSA-N 517.720 6.365 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867062706 PTFUPIAGCICMME-HHHXNRCGSA-N 542.636 5.685 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)c1 1868207608 PFARWMAJKRTTRR-UHFFFAOYSA-N 536.705 5.757 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868300608 FZYRIUHQTODDJF-UHFFFAOYSA-N 555.729 6.459 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 1872748461 YHOHDIJXENAJRH-LNVKXUELSA-N 501.926 6.353 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 1872757398 DCSQUEAROWVTJG-NMWGTECJSA-N 518.019 6.314 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 1872794481 DOTXZTMDUGJRNC-VIZOYTHASA-N 505.821 6.706 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)\c2ccccc2)cc1 1873940713 DMWWEGGJFMSKKE-TYOAKIJPSA-N 509.587 7.539 50 10 KKGE FC(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1894336325 HAAIAKSDUMVIND-KUCRYNDESA-N 503.826 6.373 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(I)c(Cl)c1 1924041887 XJSNUDHUSRRWJY-CLAHSXSESA-N 515.414 6.342 50 10 KKGE FC1(F)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CC2 1924571284 QGLOFOKAYGMGIA-INEUFUBQSA-N 515.837 6.517 50 10 KKGE CCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)s1 1924584086 SXZSJSUCSGCKPE-QMMMGPOBSA-N 523.935 7.144 50 10 KKGE Cl[C@H](c1cccc(Br)c1)c1c(Br)sc(Br)c1Br 1924585531 MUWOZUFIIOUJHW-SECBINFHSA-N 524.297 7.126 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924605191 NSBYGAOJWHUAII-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)c1Cl 1925622828 RMOIOAUWGPIUOG-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE Brc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1981400946 DIYZHRZDXGDQAY-LURJTMIESA-N 574.777 7.344 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCOCC1 2005761390 KBXWMQYXHOTPGD-MRVPVSSYSA-N 511.899 6.288 50 10 KKGE N#CC(=Cc1cccc(NC(=O)C(F)(F)F)c1)S(=O)(=O)c1cc(Br)ccc1Br 2040490666 PWKLWAUTMOSNFD-UHFFFAOYSA-N 538.139 5.051 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1 2053623240 NXISHLKYTVNHOY-UHFFFAOYSA-N 571.327 5.038 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2085499888 KWVWSNZIOIQSCK-MQNJHXBQSA-N 569.755 6.171 50 10 KKGE COc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1Br 2138876259 NTPQFKFCSIRWDE-CQSZACIVSA-N 513.849 6.467 50 10 KKGE CC(C)([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141468211 HMWKNPGPQDEFOR-SECBINFHSA-N 552.248 7.605 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)c(F)c1Cl 2201618922 MGFJVDPBGAYEIQ-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(I)c(Cl)c1 2202995420 AUSQLBYZMGLSDL-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1 2206397680 LUTAZVJQRHNIRY-ZDUSSCGKSA-N 590.773 7.838 50 10 KKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206409647 RSTDFEDQHIMUGN-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 2227347749 KBZBESVJTLWZGE-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(Br)cc1I 2240007233 QEAQZFBHZZHPDD-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)s1 2260073173 ICICWZBRENDXGG-VIFPVBQESA-N 525.832 6.798 50 10 KKGE Clc1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263448738 PVWTWUIMADZARU-VIFPVBQESA-N 538.324 7.368 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)cc1I 2269539548 FAEKEIRLTYUJNY-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12COCC(C1)C2 2273075627 ZTDOHLCNUJFUGN-SKPUXYCPSA-N 538.299 6.443 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1 2293198237 MFRPSUDIVXXUBR-HSZRJFAPSA-N 536.426 5.962 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccccc2)N(c2ccc(Br)cc2)C1=O 2293198397 GTPDLWWXOGGFQZ-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE O=C(C=Cc1ccc(F)cc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)cc1 2294963531 SFCDHIXRKXHQFS-UHFFFAOYSA-N 662.834 7.817 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2295672207 AYDIBFRIYBPXIF-UHFFFAOYSA-N 501.905 5.845 50 10 KKGE Cc1cc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 2296506707 BDBRMWRAOIDPAF-RUZDIDTESA-N 540.048 5.899 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)cc1 2296506999 OJJBMCDPXDCGHQ-XMMPIXPASA-N 522.457 6.675 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507061 RJDMMKWKUGAPRX-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@H](O)C1=CNc1cccc(NC=C2C(C)=C(C#N)c3nc4ccccc4n3[C@@H]2O)c1 2297532100 QKPXRAGTEDXSSD-KKLWWLSJSA-N 578.636 5.981 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1Cl 2313670491 ARUYZWLONKWDPL-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(C)c1Br 2314446878 YADPZZGMDSIUAR-IBGZPJMESA-N 500.683 7.797 50 10 KKGE Brc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314489490 HSFYBMLCQKVBLP-HXUWFJFHSA-N 525.078 7.469 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](CC)C2 2314571148 BUQGWMMXJAEAJR-HXUWFJFHSA-N 514.647 6.564 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592849 CUPGNUVQEYCNHO-BCHFMIIMSA-N 516.066 6.206 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592893 DEWFBDJFUPVXER-IBVKSMDESA-N 516.066 6.261 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592943 DTITZBXYNMIWCJ-NFQMXDRXSA-N 574.544 6.876 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314610390 HMXXBLBJGNKZCG-UHFFFAOYSA-N 529.040 6.230 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314610393 HOBOKZDBGDDBCE-UHFFFAOYSA-N 549.030 6.384 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616420 AAIILRBYUGKCCB-UHFFFAOYSA-N 685.180 7.624 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C(C)=C(C#N)C2=O)cc1 2314616491 BZMFYTIPEKMZDO-UHFFFAOYSA-N 542.639 6.266 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618645 QVHHBLNEXKBGIT-UHFFFAOYSA-N 569.618 5.254 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643250 LHHUICYYGRULTO-YTTGMZPUSA-N 617.460 7.557 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1Br 2314754848 FMUQVKKSIYZPQE-UHFFFAOYSA-N 604.251 5.411 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)c1C 2316833959 JEZOXSHHSMBACK-SSDOTTSWSA-N 521.898 5.870 50 10 KKGE CCc1cc([C@H](Br)c2ccc(Cl)cc2I)sc1Br 2317774417 QADIFVDAURPDGH-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1OCCC 2331437772 AOVSBLSMMOIJGQ-UHFFFAOYSA-N 510.659 8.031 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccc(Cl)cc1 2331468385 FTKKPTQTKVVMCZ-UHFFFAOYSA-N 515.078 8.349 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(I)ccc1Br 2365189512 VUCDBFJPYCVZHT-ZDUSSCGKSA-N 597.285 7.354 50 10 KKGE C[C@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CCCC1 2368869749 BQPKBMDXXXBBRZ-JTQLQIEISA-N 515.027 5.222 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1Cl 2358659 OTGCHKJUHHNDAK-QPSWJSTDSA-N 508.430 6.367 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3scc(-c4ccc5c(c4)CCCC5)c3c(=O)[nH]2)cc(Br)c1O 2614506 AEKSDUJBCTVGRK-IPBVOBEMSA-N 599.532 5.250 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([C@@H](C)CC)cc1 14648352 BGIIVIMEOBNDNF-SFHVURJKSA-N 505.453 5.762 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 20352826 SZZBJQZWLYDWBU-PHOBKQTLSA-N 515.610 6.042 50 10 KKGE Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccc(OC(=O)COc2ccc(Cl)cc2C)cc1 33353402 JXCQSJGYKYDHED-OKCVXOCRSA-N 529.420 5.904 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930162 SJPGFQJYSDHNMH-YVLHZVERSA-N 512.747 6.135 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1OC 34380048 DSCFVRZWRAYLJK-ZDLGFXPLSA-N 516.450 6.774 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(Br)cc1 38651661 OFTBGTXFGRHVAT-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 38686850 CITIQGJGXBMUJL-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 38700648 KJADRXVVNPJVBB-AREMUKBSSA-N 514.965 6.621 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccccc1 40866572 WELUJEHTOPNFJZ-QNKGDIEWSA-N 508.618 6.129 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 100236835 WNCYHNMHGMMEQU-PCYMAAINSA-N 535.855 6.588 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 100327192 PPXUPKHWBRTHPM-KJTWNORHSA-N 547.449 6.154 50 10 KKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 100716601 YVAPLEWWMYEIBY-DWXRJYCRSA-N 548.481 6.965 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101230988 HLIZQEVSWHEAAF-VUTHCHCSSA-N 540.623 6.205 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101336543 ZBFUWYOOEJDNON-MUFRIFMGSA-N 543.627 5.822 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101366472 LLWHJBSBTUOLOF-RUZDIDTESA-N 527.360 5.213 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101381017 WVPYZDHBZUGMOA-NBLPZQPVSA-N 578.640 7.119 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(F)cc1 101386993 LIHBFCDLOIOHRS-PMERELPUSA-N 552.558 5.859 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101388282 HUGGFASKUCIAPL-PSXMRANNSA-N 617.101 7.837 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389577 QKJMMGRJPFEXBV-MGBGTMOVSA-N 629.084 7.276 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101390458 DTOKCKHCRAPRCV-XMMPIXPASA-N 531.362 5.950 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 101396008 VYGNOSPANOOPII-JEPZBRSCSA-N 574.762 8.165 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)oc2c1 101398855 OAGCPNQQMYDKHO-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(-c5ccccc5)cc3)CCC4)ccc21 101613391 JFUBEQPHNWVCBJ-DGTMVHHHSA-N 580.688 8.106 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)cc1I 103730670 ZYJUQUBHTLFCQE-IPBVOBEMSA-N 551.718 5.437 50 10 KKGE COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103747971 IUGSXSRWCFQWCP-PPDIBHTLSA-N 538.276 5.941 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 103879548 LNXBXKDDUCBQEI-UVHMKAGCSA-N 542.227 6.609 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 103880437 DAPCWNGSLIAXDI-GUBAARJWSA-N 560.097 8.178 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 150431919 AKUBVWXXJZBQIM-RQUFEXHESA-N 652.529 6.785 50 10 KKGE CCCCCCCCCCCCc1ccc(O)c(SSc2nnc(SSc3cc(CCCCCCCCCCCC)ccc3O)s2)c1 159761692 PMQMHBDOSZSSTH-UHFFFAOYSA-N 735.229 14.475 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 205643132 HLSTZUFJYVHCPY-PSRGZHHASA-N 500.554 6.103 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 214020013 MRSAJDPPUGDIOC-PXNMLYILSA-N 534.535 5.165 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214274109 KGKGEMLMUHLURW-DICXZTSXSA-N 508.622 5.883 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214345164 GEYJNZXEBREPMD-BRPDVVIDSA-N 528.612 5.773 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 214363080 AJGYOLNINKGSHD-USHMODERSA-N 532.644 6.338 50 10 KKGE Cl[C@@H](Cc1ccc(Br)cc1)c1cc(Br)ccc1I 236018116 SVOSQGUSEMYVFW-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 252693373 CZPMLPQARRFNQN-NOOGSKNPSA-N 537.692 9.728 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(N3CCOCC3)s2)c(C(C)(C)CC)c1 254602053 XYGZZQPYAYCAPZ-UHFFFAOYSA-N 513.748 6.269 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254617913 CYBSVZVPRFZCHT-UHFFFAOYSA-N 515.639 5.317 50 10 KKGE CCCCOc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 254735974 AYMAMTNCFPFQEF-UHFFFAOYSA-N 538.304 6.054 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C(CC)c3ccc(OC(F)F)cc3)cc2)cc1 254761791 IDYYIEUBSLQZCZ-UHFFFAOYSA-N 517.554 5.032 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308418434 RVFXKGZZZAEROD-HNNXBMFYSA-N 572.860 6.235 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@H](c2cc(Br)ccc2I)C1 382707110 FTBUDUXVFSXQKQ-ZWNOBZJWSA-N 500.602 5.243 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)COc1cccc(C(F)(F)F)c1 504815882 WOAZYHLGNODOFU-AIKQYVCNSA-N 666.809 8.875 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O 575416031 OIGMHIMRSGHQEE-PAGPCZPMSA-N 926.263 6.456 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616584543 DJWYSLVSBLMOCS-VDBMQBGUSA-N 795.947 7.144 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(OC)c1Cl 707834382 IZJQOMLYEFMEIL-SECBINFHSA-N 505.453 6.428 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1 725401151 WTHWFSSCYRWPLM-UHFFFAOYSA-N 539.123 6.966 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N 1083955265 GZPSHENMBFLYLH-UHFFFAOYSA-N 593.275 6.901 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1083987788 BTNKBWRFEOHOPK-UHFFFAOYSA-N 597.568 6.870 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1 1084064032 DXGGRBKEWMDVAH-UHFFFAOYSA-N 546.534 7.530 50 10 KKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Br 1084366037 RRZZEAOSXATMDT-UHFFFAOYSA-N 512.618 6.752 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4cc(OC)c(OC)c(OC)c4)o3)sc2c1 1084437056 RHGXXEMIMFVNMP-UHFFFAOYSA-N 513.597 5.229 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653317 ZPFOOOYYNLDQPT-DSLZUCJSSA-N 525.674 5.951 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750932 CZOACQQHJBJUSO-UHFFFAOYSA-N 506.484 5.878 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COS(=O)(=O)O[Si](CC)(CC)CC 1848441201 KIULOCFIEWPETC-COKMMPLWSA-N 815.328 13.800 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685147 GFXLMJSHRNVEOZ-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCCc1ccccc1 1865688036 HDJALSGGDIGHGQ-GDLZYMKVSA-N 541.611 5.783 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688967 GHNDOZGNRITHAR-SANMLTNESA-N 527.024 6.267 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689384 QZQBVAIKBNXOFQ-JOCHJYFZSA-N 517.383 5.283 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695770 HEAZETFBCKUIMY-VWLOTQADSA-N 541.479 6.596 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865697460 TVELITCRNARQPZ-NRFANRHFSA-N 516.495 5.495 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698007 HVSPHUCGCNBZDB-HXUWFJFHSA-N 505.397 5.590 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701579 YSOAZVYABAYNPP-SFHVURJKSA-N 548.210 5.082 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702812 FVRDIELUELOYRV-PMERELPUSA-N 552.650 6.527 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704597 ZMIMAABLBBCELT-XIFFEERXSA-N 578.647 7.688 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705365 TXCZNVARULNVHR-MHZLTWQESA-N 520.589 5.579 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707526 YSWAJVBTLSUVPO-GDLZYMKVSA-N 503.650 6.129 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710426 XWGWCJPOGCKFFD-DEOSSOPVSA-N 533.415 6.141 50 10 KKGE CCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040049 PGVYYDYFEIJAMY-SFTDATJTSA-N 543.512 5.924 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)nc2c1 1872728542 IFKYUBSDZZECDS-RQZCQDPDSA-N 585.241 6.834 50 10 KKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)o1 1872728653 MYFXLVNCDLKNHF-HMXFMCBNSA-N 501.586 7.265 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)c(Cl)c1 1872728741 QSBIURBIZCQUPC-RCCKNPSSSA-N 508.018 6.969 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)c(C)c1 1872749023 XSORYZKDSSIGRN-ATJXCDBQSA-N 516.044 5.051 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1Cl 1872794811 XWIZWGODIDUOAT-YBFXNURJSA-N 507.398 7.409 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1sc(Cl)cc1I 1901023523 MPGNMFUYMDEWMS-MRVPVSSYSA-N 512.457 6.623 50 10 KKGE C[C@@H](Cl)c1nc2c(Br)cc(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 1912670152 PKHOFPBFGFPDDE-LJQANCHMSA-N 514.870 7.330 50 10 KKGE Cc1scc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924604415 BKKZMSQKUCMBNA-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1999515917 WACMUNLIEAJTNH-UHFFFAOYSA-N 506.526 5.673 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCOC1 2025783963 XXNFRIXNAFRCLW-GCXOYZPQSA-N 512.261 6.053 50 10 KKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2049575755 ZSFPVINVONSQJF-CBAPKCEASA-N 523.954 7.688 50 10 KKGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2I)c1 2053589362 CGFIODFCQIEPAG-UHFFFAOYSA-N 699.670 6.891 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)C1CCCCC1 2059265377 URYAARWMRGKYGY-UHFFFAOYSA-N 507.313 5.929 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccccc2)c1Br 2085494842 NXOVXAPSEGXXOX-NSHDSACASA-N 562.719 7.221 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1I 2086024171 RZCSNFVRFAAVDS-SECBINFHSA-N 585.324 7.324 50 10 KKGE FCCOc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2189495460 QPZKBXWGNCDLKI-NSHDSACASA-N 507.444 6.712 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Br)c2C)c1Br 2201067997 CBORBJGVVVUTRX-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)c(F)c2)c1Br 2201068067 CUCPDEXEVGGBOT-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395526 OWCWBJOJXZJOBX-DADVEIPYSA-N 604.703 6.454 50 10 KKGE O=S1(=O)C[C@@H]2[C@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206397212 GOTWOTCLQWYBFQ-ZGVUKUBGSA-N 572.338 5.307 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1I 2207111845 SXOHBJMEOOXUSU-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1I 2217865567 WXNFGVVZYPFWOD-SNVBAGLBSA-N 585.324 7.277 50 10 KKGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](CBr)C(C)C 2227662369 NNRICVSYBGEYNH-KRWDZBQOSA-N 505.272 5.068 50 10 KKGE CCn1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2232516796 MNNNIUMWMPLUDS-SECBINFHSA-N 526.281 6.873 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1ccc(Cl)c(Cl)c1 2233977100 SMZYRHWCJGDBCE-VIFPVBQESA-N 505.834 7.336 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2234059513 TXUFCYYXYMLWAL-IBGZPJMESA-N 603.786 7.333 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263447626 CFRQMWZTMMWBSF-NSHDSACASA-N 517.906 7.023 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(F)c2C)cc1I 2279138759 DVRSRTSHKUTHCZ-OAHLLOKOSA-N 511.998 6.602 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1OC 2283448580 GURDDMDAMYGOIG-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295345269 KCQSAKBUZAFXAB-AWEZNQCLSA-N 527.876 6.661 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500379 MUKZOJSVLQOFDV-QFIPXVFZSA-N 504.409 5.514 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccc(OCc2ccccc2)cc1Br 2299501263 MMOCFTUNJFBLIA-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592240 OTGAPIPJEYAQHY-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314611616 YBINQSFUSSFAJA-UHFFFAOYSA-N 515.013 5.982 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640728 SEISLXMAXLTJNN-HKBQPEDESA-N 603.889 8.063 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 2314737714 LYIQWHLWFURIRO-UHFFFAOYSA-N 534.634 6.334 50 10 KKGE CCC[C@@H](NC(=O)C=C(CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 2321347534 FRELFKILXFRTBR-OAQYLSRUSA-N 516.461 5.748 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c2ccccc2)cc1OC 2331346913 MPBAQJZPTWJGFT-UHFFFAOYSA-N 505.599 7.342 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)nc(C)n2C)c1Br 2362485028 BELJYVMNJLUZSE-LBPRGKRZSA-N 529.896 6.117 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cccc(I)c2)c1Br 2365183453 IFHULBKMVZBMEQ-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686593 FHEIGOOPSXPCMO-MUUNZHRXSA-N 519.513 5.611 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813044 DUJFPRZDODCSOK-BGABXYSRSA-N 523.549 5.450 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813431 ZMXZCCPRFAVAPW-YESFSUCFSA-N 506.946 5.211 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1 58895574 FAXAEFXYYLJZCU-WVVPCBRLSA-N 511.416 5.391 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113174 HYHUTBBJSUKGTC-WCMJOSRZSA-N 569.765 6.140 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243977 APHDCEZYZNWDHD-POXSGSEBSA-N 566.510 6.696 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101365289 BYSKXQJLGKVDAM-QFIPXVFZSA-N 550.225 7.136 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368320 HBGRSLRSMHVVGZ-PMERELPUSA-N 544.604 5.331 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101370781 QWIDDPDQUSJHRP-JGCGQSQUSA-N 546.623 6.440 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374105 OFOKQCDDPYNDSW-BGOLNKOXSA-N 556.659 6.418 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101378102 HJZYGUAHLQOEIC-IANOAQMISA-N 568.714 7.750 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387276 TWAUXYSGBIQXIT-UMSFTDKQSA-N 608.666 6.913 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 101387429 ULJZLAPHIBWLEA-SSEXGKCCSA-N 603.458 7.027 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388668 AMQRQXQBQVYLGI-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389853 SNTCCNKVQAHVGC-PMERELPUSA-N 621.904 8.062 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101390204 OAGFAHMEYBQZSY-OAQYLSRUSA-N 523.397 6.654 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCC(C)C 101395530 QEYGRBWGJHHPAZ-AREMUKBSSA-N 569.441 6.483 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 101832326 FMRZJSBANPXVDQ-LTGZKZEYSA-N 585.495 5.286 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Br)cc2)cs1 102455003 KHVPZKILQVZKOA-QINSGFPZSA-N 544.481 5.806 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2C)cc1 102479270 YBKAXPKZTCDZRV-ORBPGINVSA-N 522.457 6.675 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)sc2c1CCCC2 102546728 FCJJONIUFAHLOC-QINSGFPZSA-N 582.501 6.773 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 105626743 BEUOJMLFWXYXJY-NCAUGAEKSA-N 561.046 7.046 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1)c1ccccc1Br 118879015 FHKKIDMKVVFOQQ-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CCCOc1c(OC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CCO[Si](C)(C)C(C)(C)C 199515525 BNBFMYPWFLLWPZ-BJKOFHAPSA-N 624.869 6.898 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205776169 ULUIBUYKPDGBFV-JXXQQCOQSA-N 636.705 5.384 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214325093 GBMWKTFVGPTESD-CJIBNMNCSA-N 588.639 6.029 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216493868 YBTLTNFBJJILDC-QOCHGBHMSA-N 524.974 6.112 50 10 KKGE O=C(c1cc(Br)ccc1I)N(CCBr)Cc1ccccc1 232487539 YUTRAANNQOTONT-UHFFFAOYSA-N 523.006 5.091 50 10 KKGE C=CCOc1ccc2ccccc2c1C=NNC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 252620490 MEYOTLHAJBSCRD-DEOSSOPVSA-N 517.423 6.628 50 10 KKGE O=C(CN1N=C(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1)NN=Cc1ccco1 253531451 PMNQVPHCHGGBJR-HHHXNRCGSA-N 594.469 6.264 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(C=NNC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc32)cc1 254296981 ZEKMJTGHZPHXSQ-UHFFFAOYSA-N 573.759 6.570 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254766767 XATDCNSIMHYUDT-UHFFFAOYSA-N 525.646 5.020 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 254813112 AHZNKBOPOFECNK-UHFFFAOYSA-N 520.589 5.472 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCc1ccccc1 256028586 WKAVOCXIUZFONW-UHFFFAOYSA-N 504.637 5.078 50 10 KKGE CC(C)(C)OC(=O)N1CCC([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCCl)CC1 616575046 UXMSOXKHFDTICS-XMMPIXPASA-N 529.033 5.280 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)s1 688086012 MXUBEDPTLMOEFA-SECBINFHSA-N 539.934 6.728 50 10 KKGE O=C(Nc1cc(I)cc(I)c1)c1ccc(CBr)cc1 690346689 OTRQTPFNQHHYJB-UHFFFAOYSA-N 541.952 5.043 50 10 KKGE CCCCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721574188 VZDHJBLVDYWNLM-KRWDZBQOSA-N 508.035 6.881 50 10 KKGE O=C(NCC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)OCc1ccccc1 725238446 JBBRVUONHMOZCV-AREMUKBSSA-N 608.082 6.245 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725445257 GEKLDZLWAHRSIY-XHWIWGEHSA-N 506.650 5.499 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1083940528 IMWDWLCYDYJUPB-UHFFFAOYSA-N 599.514 5.913 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 1084003358 QNBVRVKKCOOCJI-UHFFFAOYSA-N 639.700 5.455 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084279335 ROCDQGBSICAVAS-UHFFFAOYSA-N 541.482 7.931 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 1084303233 ANSQCEJNDQOORN-YBEGLDIGSA-N 501.753 6.420 50 10 KKGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(I)cc1 1084361606 YPUCJYDYEPZVIE-UHFFFAOYSA-N 581.863 5.065 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1 1084392939 SXPHOVMOGUDEQQ-UHFFFAOYSA-N 580.979 8.183 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084408842 VGMOYXDJYMYRMF-UHFFFAOYSA-N 645.565 5.772 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1OC 1084409543 MMGCYCAXQXNERP-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084441586 KJOJIKSKYXPQQD-CAOOACKPSA-N 561.650 7.406 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1084477222 PJNUUXWFJGUVFR-UHFFFAOYSA-N 515.020 5.375 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084588154 KQBVLBLWZTVHCF-UHFFFAOYSA-N 565.493 5.202 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084589208 CFVZHBZWCGEQFL-UHFFFAOYSA-N 677.404 6.689 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Br)cc1 1084621000 JURMQSFESUYYQU-UHFFFAOYSA-N 594.509 7.567 50 10 KKGE O=C(NN(C(=O)c1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1 1088681157 PMBDLOXHQDMHCU-UHFFFAOYSA-N 510.478 6.480 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1 1772721877 DWEFOAFZTVKXLF-VQIMIIECSA-N 521.853 6.815 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCN(c6ccccc6)CC5)c(C)c43)coc2c1C 1772752124 UXLYITJUNCFIDV-UHFFFAOYSA-N 538.648 5.313 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752380 ADHFTWNODWTAPJ-UHFFFAOYSA-N 533.209 5.202 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1772755179 SFPXRXWMNYOGKZ-UHFFFAOYSA-N 562.931 7.592 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC 1848441518 UEBRWCSUMBZNBW-KXVGXDOASA-N 855.374 14.645 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687925 DEAPOGBOBKFYGI-WJOKGBTCSA-N 542.639 6.436 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865689670 CGBPKUCXLUHEII-MUUNZHRXSA-N 504.634 6.694 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865689775 WLSPOPJWPINEEP-SANMLTNESA-N 561.469 6.921 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865692657 HIUJQNRDMIVUTI-RUZDIDTESA-N 510.569 5.753 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693435 OMAADMDYDMUBKI-MHZLTWQESA-N 529.015 6.392 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865694610 XSMUDBNRLUOZKM-HHHXNRCGSA-N 574.603 6.763 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694958 GQBKYSYUHUIIFN-MUUNZHRXSA-N 522.605 5.558 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OC(C)C 1865697392 RBSZHTLBSHVSOO-HHHXNRCGSA-N 506.606 5.921 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703960 JOZKHRLGWFOFKA-PMERELPUSA-N 567.476 7.497 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704065 LVVQWCUCFDKAIF-YTTGMZPUSA-N 540.667 7.143 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705301 QYSXRBAYBOVEOH-MHZLTWQESA-N 520.589 5.330 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707559 ZNMAMSAEXPJEJT-XMMPIXPASA-N 528.996 5.501 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714057 BPJXDEFFDWZBKS-VWLOTQADSA-N 501.502 5.524 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715185 YSWKEHJZACHQBU-QFIPXVFZSA-N 515.913 5.033 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)nc(Cc3ccccc3)n2)cc1 1868207142 HPLBTHRVZOCHHW-HHHXNRCGSA-N 539.108 6.457 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872793548 FYCFMEDVFVGLEH-CIAFOILYSA-N 511.485 7.831 50 10 KKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)c(Br)s1 1900924819 QMUHMXUTWMYGJJ-QMMMGPOBSA-N 512.457 6.623 50 10 KKGE FC1(F)CC12CC([C@H](Br)c1c(Br)sc(Br)c1Br)C2 1924568886 NAKFCVJZPTVZOM-SIPCTPOTSA-N 529.864 6.907 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924593256 CYIOIGUBXWJBEG-SECBINFHSA-N 582.775 7.591 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2Cc3ccccc3O2)c1Br 1924596087 IZKQQVQMNMISPP-WPRPVWTQSA-N 531.889 6.475 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3c(s2)CCCCC3)c1Br 1924600186 BOPVYKXHPUVCDO-NSHDSACASA-N 564.000 7.850 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)cc1F 1924600383 QPJKYQSZCZAHHC-VIFPVBQESA-N 539.859 7.107 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 1924605194 NTXYCZLLPXXVND-BYPJNBLXSA-N 509.883 6.039 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)cccc1Br 1945322512 MNFJHRUQNAAQFT-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CCl)c1I 1951354933 SYIXDMIJKZYKLG-UHFFFAOYSA-N 619.406 5.586 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)sn2)cc1Br 2007645046 PGMZPCZQGVOEFB-LLVKDONJSA-N 551.867 6.065 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2(Br)CCC2)c1Br 2025779845 MIOBBRMQYVYNOW-JTQLQIEISA-N 619.609 7.490 50 10 KKGE CCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025783313 SXMRRAHKXSETBL-NSHDSACASA-N 510.289 7.207 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(I)c1 2026221755 OYLSCLWCYXOJBZ-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1sc(Br)c(C)c1Br 2065891307 XIQZQCAOAGUPAL-MRVPVSSYSA-N 521.898 5.870 50 10 KKGE COc1cc(-c2cc(C(=O)NN=C3C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3n2)cc(OC)c1OC 2069682107 QEAXNRRMKFEIGC-PMERELPUSA-N 559.622 6.586 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cccc(I)c2)c1Br 2083318038 MBQKQRWHQXSOTQ-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500959 TUUQQZKIMJLOJQ-AMXGMDGSSA-N 568.767 7.609 50 10 KKGE BrCc1cc(OCc2ccc(Br)cc2Br)ccc1Br 2092268689 ZRBVIHODROTXJC-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE CC(C)[C@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123254777 PORXUJQJTQECKN-AWEZNQCLSA-N 507.263 5.719 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 2138865054 PZNFSJMGBOQGHZ-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE CCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141469359 AFFCIARDJYGCBR-ZDUSSCGKSA-N 582.794 8.143 50 10 KKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473261 NARJNNWCLGBXPG-UFBFGSQYSA-N 584.810 8.245 50 10 KKGE Cl[C@H](c1cccc(I)c1)c1c(Br)c(Br)cc(Br)c1Br 2141477185 MUXPPFWRHPCDJH-CYBMUJFWSA-N 644.164 7.669 50 10 KKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(Br)ccc1I 2150545334 MFVGAVKHDDPQDA-HNNXBMFYSA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)c(F)c1Cl 2201619146 OFXKEQHPINNPSH-NSHDSACASA-N 509.797 7.281 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396337 VQPLZUHGBADILR-LLVKDONJSA-N 767.511 8.588 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1sccc1I 2213491574 GIRUKGNGWURQPA-JTQLQIEISA-N 510.391 6.345 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2225619357 IBAINSCTWKNJOO-ZDUSSCGKSA-N 627.709 7.202 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)c(C)c1Br 2227360241 QKIHLENWYCGLEV-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE Brc1ccc([C@H](CI)OC2CCN(Cc3ccccc3)CC2)cc1 2250383892 LHTCQVCHWVILKA-FQEVSTJZSA-N 500.218 5.606 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(F)c(Br)cc2Cl)cc1Br 2282899955 UJZPRZAIVIUVEI-CQSZACIVSA-N 505.834 7.403 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 2297458705 XCDVITOUQLVFKB-RUZDIDTESA-N 546.490 5.543 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 2313567635 JIZACTHMHTUJTN-UHFFFAOYSA-N 618.225 6.395 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 2313568498 TYUIABBOJYQPQL-UHFFFAOYSA-N 525.786 6.264 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N2CCCCC2)c1 2314476039 HRXLMZKRCIMXMC-UHFFFAOYSA-N 545.709 5.269 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCc1ccco1 2314476086 ILTHYDNWWIHAMG-UHFFFAOYSA-N 518.548 6.074 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2 2314571536 GUGRARDDCCCKRP-MRXNPFEDSA-N 519.579 6.072 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591841 GAKAQFKRWZOPSZ-RUZDIDTESA-N 536.484 6.929 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593839 UOKUBEXIVLKJGO-NIYFSFCBSA-N 532.065 6.042 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314617103 QSWJOFPGIDTNFN-UHFFFAOYSA-N 526.596 5.897 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314617525 ZXCBSRXZCOFIIE-UHFFFAOYSA-N 638.655 6.779 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1coc(Br)c1 2317420538 PZBGHHVKWUZTEM-SNVBAGLBSA-N 505.801 6.499 50 10 KKGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 2328796686 VPSMCHFTJZLLHU-NRFANRHFSA-N 504.027 5.317 50 10 KKGE Cc1csc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2337112362 DIIGYDUBRNWHSK-SECBINFHSA-N 511.863 7.512 50 10 KKGE Clc1ccc(CO[C@H]2CCCCCC[C@@H]2I)c(I)c1 2340111208 YXAXLZGSNKOVKM-ZFWWWQNUSA-N 504.577 5.988 50 10 KKGE Cc1nn(C)c2sc([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)cc12 2361196436 XUURDJCUCKDDQY-FQEVSTJZSA-N 506.263 6.769 50 10 KKGE CCc1nc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2362236023 NVWSUOKHJZDNJL-SECBINFHSA-N 571.329 7.270 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1F 2365215707 MUJSSUWTJRMGDC-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 3282875 IWLRHVOMDRXXQP-UHFFFAOYSA-N 551.628 5.113 50 10 KKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2ccc(Br)cc2C)C2=C1C(=O)CCC2 9981466 NEAVUGSHHFDAAT-FQEVSTJZSA-N 500.487 6.236 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14650757 BUMVJYHCPBFFPT-UHFFFAOYSA-N 530.463 5.468 50 10 KKGE COc1ccc(/C(C#N)=C\c2cc(Br)c(OCCOc3ccccc3)c(OC)c2)cc1OC 15939024 PROCNKKWBNKPNO-MOSHPQCFSA-N 510.384 5.997 50 10 KKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1Cl 20616405 JVQIAVJHDSZOSE-IXFVIFRSSA-N 505.021 7.125 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1C 38651527 IQOLDNINSADYCF-RUZDIDTESA-N 505.368 5.269 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687486 VOFBNBKXSKOROX-DEOSSOPVSA-N 517.006 6.781 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 39858779 BYUUEWQIKZMAOU-JWGURIENSA-N 522.561 5.134 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822744 YXFRSGYSQZOSOV-QFMPWRQOSA-N 508.534 5.886 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 40888737 LNHBSEYOQHVGMD-WKULSOCRSA-N 501.410 6.063 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 101115368 RRWCERNFLWWXBD-VKAVYKQESA-N 531.366 5.112 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OCC)cc3)C2=O)cc1 101245693 ACJHUOBNTQXHKI-KTNRVYNWSA-N 539.701 6.801 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101333312 ULTLMYVUCDFFBY-JFLMPSFJSA-N 508.666 6.123 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101333318 RWVOOIAUNIGJKW-TWKHWXDSSA-N 591.111 7.554 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 101335603 ZYKHNANRLAYJGL-ZXVVBBHZSA-N 540.689 6.060 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362633 UISFDSACNRGKHJ-XMMPIXPASA-N 594.492 6.164 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 101363606 LFCMVPXLNMVMGT-DEOSSOPVSA-N 525.786 5.614 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381200 DQKIMMJMKZNCOL-SSEXGKCCSA-N 618.429 6.683 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101392819 KWNHLDSYVQZJIA-QHCPKHFHSA-N 527.360 5.457 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101395043 MLPLWCPEHCTLPA-VWLOTQADSA-N 539.415 6.618 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602112 QVLHOHHALGEQTE-RWPZCVJISA-N 535.771 6.179 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103877215 MGHFXNDTACBYSD-AJBULDERSA-N 529.482 6.825 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 110557428 IHHOTSHGAYEQKV-TWKHWXDSSA-N 586.739 5.607 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1csc(I)c1 125735086 QZQFCRWIDKSLMC-CYBMUJFWSA-N 516.036 6.225 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 150430916 GIPRKJWTXVHTAE-ZZJXEYPFSA-N 718.757 6.491 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 196944905 DAZIGOPASNJPCJ-ODMCWUKSSA-N 787.990 7.753 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214226283 JEOABYFJZFDVTP-USHMODERSA-N 536.676 6.665 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215666511 CXEJHJXCKOQGRK-ATRLRFGRSA-N 618.771 5.452 50 10 KKGE biogenic Brc1ccc(I)cc1[C@H](Br)Cc1nc2ccccc2o1 232480260 GAMCOAPUSLFPQT-GFCCVEGCSA-N 506.963 5.874 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 234814200 LNJJLIDBQQTODW-CQSZACIVSA-N 513.849 6.467 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 235971224 HCBQMLZKDMJBAF-VIFPVBQESA-N 509.908 6.890 50 10 KKGE COc1ccc(N2C(=O)[C@H](O[C@]3(C)C[C@@H]4[C@H](C[C@H]3Br)C4(C)C)[C@H]2C#Cc2ccccc2)cc1 252600406 DQUSZKHWPBFKMI-KGLBKLLTSA-N 508.456 5.436 50 10 KKGE COc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1COc1ccc(I)cc1 252603603 FSJPWVVOJHEFFG-UHFFFAOYSA-N 558.460 5.935 50 10 KKGE COc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1cccc2ccccc12 254308095 OXPBYHMLTNIREG-UHFFFAOYSA-N 541.607 6.046 50 10 KKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254484969 WILQGSKEXVNXRF-KSJIGLADSA-N 506.678 5.900 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1scc(Br)c1Br 705465025 PKWAKTYKRSIUJE-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 725396490 HZKSQQWHXGMWHH-DEOSSOPVSA-N 580.306 6.698 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)/C=C7\SC(=O)NC7=O)CC[C@@]6(C)[C@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@H]3C1 1076011146 LAPUCWPKWZCJAA-LFZZACKZSA-N 703.740 7.687 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1083918255 YQXKYDKLLLLIQI-UHFFFAOYSA-N 654.543 5.427 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F 1083947133 OXYFOMQLQSATJS-CXUHLZMHSA-N 550.211 7.028 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1Br 1083983524 ZUUSQQDNPBFGMO-UHFFFAOYSA-N 688.442 6.282 50 10 KKGE O=C(CCc1ccccc1O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084028609 DBTXLPFCEPLVSO-UHFFFAOYSA-N 568.636 5.630 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Cc4cccc(C(F)(F)F)c4)c3C)sc3c2CCCC3)cc1 1084105291 HHQKREYLLGKIQE-UHFFFAOYSA-N 592.687 7.307 50 10 KKGE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1084121932 MIJLESZZTIXHCG-UHFFFAOYSA-N 530.628 6.631 50 10 KKGE COc1cc(C=NNC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084410149 FCVXEKXXPGXDPB-UHFFFAOYSA-N 509.187 5.502 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084478530 MGNVCLAQSVDMML-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 1084514070 OIRQJRVJLUGXSS-BOPFTXTBSA-N 515.780 6.810 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084606588 FRSGNAYVIBJOAU-UHFFFAOYSA-N 584.503 8.111 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Br)cc1 1084609385 XABWQRJPSORDAV-UHFFFAOYSA-N 558.226 6.309 50 10 KKGE ClP1(Cl)(Cl)n2c3ccc2[C@@H](c2ccccc2)[C@H]2C=C[C@@H](N2)[C@@H](c2ccccc2)c2ccc(n21)[C@H](c1ccccc1)[C@H]1C=C[C@@H](N1)[C@@H]3c1ccccc1 1307259454 YEYOZUHMZWTTAC-DBWBKEENSA-N 760.149 10.879 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772748903 PATHAMFKBUEKHT-UHFFFAOYSA-N 549.627 6.006 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865693156 RYQVWEPBTQCJNT-RUZDIDTESA-N 551.485 6.025 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865693207 SSFZIAVGRNNIGK-DEOSSOPVSA-N 569.475 6.191 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698277 PEVZNWMNLAWRGB-QFIPXVFZSA-N 523.431 5.520 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698589 YAPSKFAOZRORRA-OAHLLOKOSA-N 515.330 5.088 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703027 LFVFSIPAQCCLEJ-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865703274 SBRPLMWDMLBOJR-PMERELPUSA-N 559.069 7.357 50 10 KKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704353 UCOIGOLQYMWLDG-WJOKGBTCSA-N 512.613 6.499 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704841 FVMZBWDGPHCGIX-XMMPIXPASA-N 527.378 5.381 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714148 DYUVSESRZFGHTA-JOCHJYFZSA-N 560.364 5.142 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714726 OMPQAUBFJNOBNS-HSZRJFAPSA-N 549.414 5.846 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714794 QJTRIPZIZRVTCO-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)CC2 1868414387 LUPGXAWFFIJUPR-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4cccc(Cl)c4)CC3)n2)c1 1868505568 IMVMTHOQVWVEDI-UHFFFAOYSA-N 571.150 6.877 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4c(C)ccc(C)c43)n2)c1 1868506199 UDLYNMHFWJRPNE-LJQANCHMSA-N 507.663 7.416 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3c3cccc(Cl)c3)n2)c1 1868506595 ZVBWMUKOODAOOR-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2cc(C)c(Cl)c(C)c2)n1 1872751293 AKGLVWHBWLBRLO-GYHWCHFESA-N 511.087 8.038 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc3ccccc3c2)n1 1872754083 BLHGPSSRUNMSEX-FLFQWRMESA-N 511.430 7.931 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(OC)cc3)n2)cc1OCCC 1872818131 OABYRDUPHZPQEW-BZZOAKBMSA-N 508.640 7.048 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1OCCC 1872818246 TVZOWSOXTUAXIX-CLCOLTQESA-N 516.623 6.050 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)N/N=C/c2cc3ccccc3n2C)cc1 1873496965 GURAKEDXRZJWTH-ODIUUIGESA-N 524.665 6.595 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Br)cc2Br)c1Br 1922935763 RXZYVZVDNJJXKM-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)co1 1924604432 BOGVMXUHPGPZQV-LURJTMIESA-N 558.709 6.875 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(I)sn2)c1Br 1983293907 YYOGSQJUUBEAQB-SSDOTTSWSA-N 557.896 6.127 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995286460 UBYLRWBYIPTTBB-CQSZACIVSA-N 551.060 5.870 50 10 KKGE COCCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1996214912 NFWLSKBSBQSJAL-MRVPVSSYSA-N 511.899 6.288 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)oc1C 2015324729 DSFULTLDQIEXJR-QMMMGPOBSA-N 507.867 6.730 50 10 KKGE CC[C@@H](C)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780096 OWUMUYKKPUNMJX-RQJHMYQMSA-N 556.756 7.609 50 10 KKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2100838613 MJWMFMUUVNWCRI-SCZZXKLOSA-N 537.981 8.078 50 10 KKGE COc1cscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467817 COUACAQSWUFSTA-JTQLQIEISA-N 598.774 7.291 50 10 KKGE Fc1cccc(C[C@@H](Br)c2ccc(Br)cc2I)c1F 2142278666 GKOUMNMXMFMHHE-LLVKDONJSA-N 501.934 6.011 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(I)ccc1F 2203812257 FNABYEDMQTXCMK-CQSZACIVSA-N 513.970 5.994 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)sn2)c(C)c1Cl 2217616941 BGCMENZADZRISM-LLVKDONJSA-N 521.443 6.265 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)c(Cl)c1Cl 2217619287 XCSZWLLEMYVIEW-VIFPVBQESA-N 514.291 7.718 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)c(Br)cc2F)nn(C)c1Br 2225615457 HPOYLBHYPPYGIL-JTQLQIEISA-N 519.832 5.639 50 10 KKGE BrCC(CBr)(Cc1nscc1Br)c1ccccc1Br 2227092590 RTGTZYUNFMCVCC-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)c(C)c1Br 2227360353 RIMAHYDAWYIFFQ-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Clc1cc(Br)c([C@@H](Br)Cc2ccccc2I)c(Cl)c1Cl 2232521550 UPUMCJIVJPUZAV-QMMMGPOBSA-N 569.289 7.693 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1Cl 2268264337 RCOOIFLLHLMIMD-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272720863 AUJOEBHQGVDHQU-MRVPVSSYSA-N 540.847 6.502 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc2c(cc1Br)OCCO2 2279288219 PHOSNZZNNKUMEC-NSHDSACASA-N 503.437 6.182 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OCCOC)c1C 2296789947 DJEFXXNANQANLA-UHFFFAOYSA-N 525.652 5.753 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 2300268644 ZHUAHOJXYAWTQE-SCSAIBSYSA-N 572.740 6.016 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1sc(Cl)cc1I 2301084495 UKZCCWJSSOBGAM-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 2313518581 JWZTYYOISGGFRG-UHFFFAOYSA-N 536.382 6.189 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 2313567603 IRVXDKVRIAMPBL-UHFFFAOYSA-N 540.461 7.290 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448868 LBMIEUQANJMSLS-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@H](CC)C2 2314572226 WIIKPIMOLIXLPR-INIZCTEOSA-N 553.478 7.008 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314591993 JBTVNORRECNHSE-HHHXNRCGSA-N 511.647 6.192 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611299 SNXLHUYSSTZASB-VWLOTQADSA-N 625.795 6.132 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618218 JNHCYPFIXVLWPE-VWLOTQADSA-N 556.666 7.072 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Cl 2314620197 MHVFUOGICGXHAG-UHFFFAOYSA-N 569.448 6.647 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1cccc(Cl)c1 2321721448 IRTUCSTVGLMMEU-HXUWFJFHSA-N 502.011 5.025 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@@H]2CCCO[C@@H]21 2333303597 LOAOIQRVFYRWBR-LVUPCCEUSA-N 538.299 6.442 50 10 KKGE C[C@]1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H]1C(F)(F)F 2362228531 OBSILMXJKGGJMI-CYUDJLOBSA-N 503.353 7.029 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Br)cc2I)c1Br 2362232368 NKVVARLBONVVQT-LLVKDONJSA-N 662.154 7.856 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364063092 GDHQNCMRSDDWOI-JTQLQIEISA-N 531.868 5.591 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)cc(Br)c1 2365187988 GPWGBETVYACKLP-ZDUSSCGKSA-N 550.285 7.512 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1I 2365192394 CBBWGHAZNWPKSY-GFCCVEGCSA-N 641.736 7.511 50 10 KKGE Brc1cc(CO[C@H]2C[C@@H](Br)C23CCCCC3)ccc1I 2377596623 YPMBUJVLYDUKQT-CABCVRRESA-N 514.039 6.057 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)cc1Cl 2379737530 SDEBTSWXYHIDMB-CYBMUJFWSA-N 509.797 7.281 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)cc1 12491819 FLKMKXLZYZNXIQ-QNKGDIEWSA-N 505.618 6.579 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1C 34983908 KEDPXBSWAXLQTG-PTGBLXJZSA-N 501.590 6.740 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 35519285 FDBQOFKWEKNCLV-MOSHPQCFSA-N 509.396 7.545 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl 59304896 UTULSMLUGQPBPS-FJEPWZHXSA-N 509.389 6.820 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccc(I)cc1 97353807 JWXZLGDPORKITA-SECBINFHSA-N 508.528 5.535 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100172581 GBWFKIHNMCEREK-UHFFFAOYSA-N 552.469 6.044 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243971 KZZZKOQYWKFQQO-ZNPULDPUSA-N 566.510 6.696 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246480 RVYSJCJUJGQICE-NNHPPCHPSA-N 551.590 6.341 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101361708 LCFKZTVTXLACIU-XMMPIXPASA-N 525.388 6.228 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373817 AHRNGJGPFNIWFF-PMERELPUSA-N 540.660 6.999 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCC(C)C 101374337 HNCPDOXBFAPOKI-GDLZYMKVSA-N 549.023 5.894 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc21 101378272 PNHIVXQHJXRGNZ-VLRYHXLNSA-N 536.672 7.390 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388082 FNYHCKHWDWPSBT-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5Cl)c(C)c43)coc2c1C 101619856 MTMYPICBIHQDMX-DFKUXCBWSA-N 547.011 5.079 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCc1ccc(F)cc1 102443547 HOZMEAMNBINWTG-ODLFYWEKSA-N 565.424 6.344 50 10 KKGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@H](Cl)[C@@H]1Cl)c1ccc(Cl)cc1 102629297 TZAHICNSZWGOQL-DCCIBLSLSA-N 576.310 5.578 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3Cl)nc12 102851813 QACACJJIXZJXPE-AQTBWJFISA-N 512.374 5.440 50 10 KKGE COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C2\Nc3ccccc3S2)cc1OC 102957019 RCIJSZVEAKZJNO-LCDYLYEVSA-N 575.646 6.418 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 103878931 VKZMHGXJRMSNQX-KVSWJAHQSA-N 548.220 6.854 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 150428536 WSONAUDITFZIPZ-PCYMAAINSA-N 671.757 6.649 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150488515 YZNWYWAOGGERSM-FQEVSTJZSA-N 626.707 7.721 50 10 KKGE CCN(CCOC(=O)CCCCCCCC(=O)OCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c1ccc(C=C(C#N)C#N)c(C)c1 159695419 YFQBDOXXTMOVIJ-UHFFFAOYSA-N 662.835 7.334 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 159846650 QVPITXIIXVRZPI-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214332844 NVDJCSLBFBCHFV-SPFMNHKYSA-N 631.758 6.067 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC 214374796 HBDNVGWEDOAUMK-IWIPYMOSSA-N 556.590 5.265 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C2=O)cc1 214393007 JADUDJNZRGEWPA-MNBJERMJSA-N 586.692 6.684 50 10 KKGE CCCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530138 HOLIBVBKAUVEFC-UKYFZTQFSA-N 563.705 9.893 50 10 KKGE biogenic O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 254632406 UTUZDRKLKADIBC-UHFFFAOYSA-N 551.569 6.740 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 254756571 VFXNRVLRJQKJRF-UHFFFAOYSA-N 564.667 5.082 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1c(Cl)cccc1Cl 256028558 UZVZJWXADXVYHR-UHFFFAOYSA-N 577.313 5.020 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 306147334 XOHRAGVYVNTJQV-OKNVFKEHSA-N 600.788 5.606 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1Br 691633252 DCEYQGFHJOYBAV-NSHDSACASA-N 519.803 6.737 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c(C)c1 725390922 NCQZAYYLDAMMBV-SFHVURJKSA-N 518.908 6.758 50 10 KKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1OCc1ccccc1 1083896530 BLZROQARTCSNHE-UHFFFAOYSA-N 511.651 5.071 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 1083951759 PRZXTULWOWFSRW-SANMLTNESA-N 643.319 6.750 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 1083995777 RMPUSSXUVVYTHR-RUZDIDTESA-N 620.459 5.771 50 10 KKGE N#C/C(=C\c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084041508 WSGXLKJUUMSQMA-ONNFQVAWSA-N 643.002 5.212 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1084176528 HQSQWUBYZSHFIZ-XMMPIXPASA-N 586.439 5.308 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 1084284279 ZKRLDEAMHCMGHC-SANMLTNESA-N 516.594 5.055 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F 1084476485 GHJYUHIGUXEYQK-XQNSMLJCSA-N 520.004 5.713 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 1084483948 GEBGCCPJTITRCQ-DEOSSOPVSA-N 541.442 5.399 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C 1084552301 KJTPDKUPXLHYAR-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(OC)c(Cl)c3)C(=O)N(CC(=O)NN=Cc3ccco3)C2(C)C)cc1Cl 1565517394 GIEFGZAKCOTKDS-XMMPIXPASA-N 619.462 5.024 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Br)CC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537081 UKWGOBGGUGJZAH-QNYOUJHGSA-N 551.719 10.118 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc6c(c5)OCO6)c(C)c43)coc2c1 1772752041 SGYTXKGGEBUFIR-UHFFFAOYSA-N 513.550 5.331 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC)[C@@H](OC)[C@H]1OC(C)=O 1848435610 RRWCFRRJDLLSIP-MYFOLEFESA-N 628.747 5.082 50 10 KKGE CC[C@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440253 REAIXLIMKILMDP-PLNXVLCSSA-N 685.031 8.590 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687752 ZJRTWTPMHHABFL-MUUNZHRXSA-N 541.051 6.343 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1c(Cl)cccc1Cl 1865689228 NALLHCLFNCKXPK-HHHXNRCGSA-N 565.432 6.492 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865691539 VEKQJUZMYIWLSO-MHZLTWQESA-N 524.596 6.143 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692924 JWZGNPXKFBANLZ-HKBQPEDESA-N 526.640 7.084 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696098 XKHKMJWBEKQOBW-SANMLTNESA-N 577.468 6.539 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865702103 MSBKNLAQNWEVLQ-OAQYLSRUSA-N 556.222 6.966 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703126 NMLVARIALOQAKP-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704225 QPIVIFPUJRKWGZ-SSEXGKCCSA-N 547.058 7.098 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865709159 PJYNYUBPLCKBLE-QHCPKHFHSA-N 514.944 5.396 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868301315 NTKQLUAWJJTZJH-FNZWTVRRSA-N 511.626 6.874 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433178 GVDTWZJAOSDTMB-DEOSSOPVSA-N 552.025 8.474 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1868455748 AZGXXSOYJHRSDE-UHFFFAOYSA-N 527.625 6.656 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)CC2 1868455774 BNSCVVUDXYVONN-YTTGMZPUSA-N 559.670 7.760 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c2ccccc12 1872794994 HTCVCRCAARZCFF-CJLVFECKSA-N 509.030 8.268 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2csc(Br)c2)c1 1899857768 RZJDEDCMXLYLAT-GOSISDBHSA-N 517.080 7.336 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cnsc2Br)c1Br 1900418816 LIFJSQPXKSEYOA-LURJTMIESA-N 510.896 6.285 50 10 KKGE C[C@H](Cl)c1nc2c(Br)cc(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 1912670149 PKHOFPBFGFPDDE-IBGZPJMESA-N 514.870 7.330 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Cl)ccc1I 1924040237 OSEAAKABPIYUFG-RMLUDKJBSA-N 515.414 6.342 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 1924569370 UKXLZHDGFGGBFM-IUYQGCFVSA-N 505.842 6.763 50 10 KKGE CCCC(C)(C)OOC(C)(C)[C@H](CC)C1([C@@H](CC)C(C)(C)OOC(C)(C)CCC)C[C@@H](C)CC(C)(C)C1 1933223688 SJVUGAIYXOTMTL-QKDODKLFSA-N 526.887 10.482 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCl)c(Br)c1)Cc1ccccc1 1946825606 AZQXTRKXYMHOJL-UHFFFAOYSA-N 521.908 5.511 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1sc(Cl)cc1Br 2003649827 NVOQTJAKUKYIKU-JTQLQIEISA-N 510.391 6.392 50 10 KKGE CC1(C)C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780505 UEULQSFQYRDGGV-SSDLBLMSSA-N 554.740 7.219 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(CO)c3c(Cl)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C 2037504661 AXAPBUXBGVNXIJ-FHWLQOOXSA-N 528.242 6.277 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)(C)C 2179827283 CIOOREYBKZUVGW-INIZCTEOSA-N 517.327 6.278 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(I)c(Cl)c2)c1Br 2201074748 AYNGZNWYIQKPKM-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE CC(C)(C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2206398992 BCTUSDQIBRPHJO-SSDOTTSWSA-N 610.726 8.151 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206399046 BQNVQIJZXRHQFG-NSHDSACASA-N 659.605 8.123 50 10 KKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401679 YUVSHESLDGMJOW-WRWORJQWSA-N 598.793 7.378 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccccc1I 2218597481 MIVCMVRYEDCKQH-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 2220154041 XYEZSFDJYDMFQV-HXUWFJFHSA-N 545.134 7.953 50 10 KKGE Fc1ccccc1[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2222472063 NNVWFQDYFSOKOV-ZETCQYMHSA-N 521.869 6.853 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)nn1C 2232510700 NOAUDHPZWQWQII-SECBINFHSA-N 526.281 6.698 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 2235608513 KIJKJMBKANSQMX-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 2243919188 QEERHCWRDORLCQ-ZPHNUYGRSA-N 513.476 5.572 50 10 KKGE FC1CC(CBr)(COc2c(I)cc(Cl)cc2I)C1 2254450226 QSQRFPAJRYJCGZ-UHFFFAOYSA-N 559.382 5.441 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619897 JHKRKDDLIZLXHG-UHFFFAOYSA-N 558.086 8.714 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 2296721803 YUFVKIYZIMMJAV-UHFFFAOYSA-N 513.619 5.740 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 2313560878 JXNRZKKMJWHBMQ-UHFFFAOYSA-N 506.356 6.099 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568864 ZTIIZNIEKUDEOZ-UHFFFAOYSA-N 673.305 5.797 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 2314476768 VJKJVJJQRZSVHK-UHFFFAOYSA-N 586.739 5.751 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1cc(Br)ccc1I 2314511263 GLGVECJTOWUWKZ-SNVBAGLBSA-N 540.873 7.215 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](C)C2 2314571270 CNGIGQZITHFZBL-LJQANCHMSA-N 500.620 6.174 50 10 KKGE CC(C)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593161 INFFHFSXRAXTPR-DJUQAAIZSA-N 537.729 7.237 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640764 WPOXOLIHAMTOGK-HKBQPEDESA-N 587.434 7.548 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 2314643332 RYJBHXIWVJJLKQ-UMSFTDKQSA-N 558.634 6.810 50 10 KKGE Fc1cc(CBr)c(Oc2cc(Br)cc(I)c2)cc1Cl 2338758355 QSWKPCUSRMFBKQ-UHFFFAOYSA-N 520.361 6.533 50 10 KKGE C[C@H](Br)C[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349828108 KOHSEQGVYCIIMA-WCQYABFASA-N 501.044 5.582 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364051301 NZUXXBVCRXJDHJ-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 935112 QRNWTAZWVSYATF-FNBPXTNNSA-N 522.399 5.653 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1OC 6167545 GVRXXOPMRMYZFT-RAKJDDDUSA-N 635.783 6.407 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)n(-c2ccccc2)n1C 29503159 UNVCJDJOCXMPKG-XAYXJRQQSA-N 661.788 5.448 50 10 KKGE COc1cc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)cc1Cl 29747777 JHHYLTRQKAPNJG-JLHYYAGUSA-N 544.814 6.326 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38658222 HUAJGWGCZIEXCH-HHHXNRCGSA-N 502.954 5.416 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660876 JKGHVYCRAFJZLO-ADXZGYQBSA-N 522.532 6.209 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40826988 SFQZCMSYNJCNGS-WEMUVCOSSA-N 527.577 5.389 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 58891169 YTCKWPXKMBXIPT-HUTJOEHLSA-N 506.740 5.235 50 10 KKGE ClCCCCCCOc1c(I)cc(I)cc1I 59088374 KIKKSTBYSUWDCW-UHFFFAOYSA-N 590.408 5.678 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 100360585 WMXVRUSRWAFWJK-HYARGMPZSA-N 590.417 6.586 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 101013554 NMESZBCGSHMZKD-IMRQLAEWSA-N 581.119 5.562 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242701 OHAPTLXETIUZBN-YDYXIROLSA-N 526.445 5.946 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101303398 VUXZSBLLQSVRDJ-MWAVMZGNSA-N 540.623 5.939 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101334300 BXBFPHIUZKSYPD-GQXLBWHRSA-N 577.084 7.162 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101339720 WRQYVIKTANOZRX-XODNFHPESA-N 572.665 5.861 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341308 ANVRXJXUOZUOKZ-VUTHCHCSSA-N 566.658 5.572 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341614 OFQYECDTJPIZBK-YZSQISJMSA-N 603.075 5.153 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379967 PWFPSGCMFMHKLM-HKBQPEDESA-N 567.041 7.145 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380532 VAVTZIUQEPYKIN-DHYKOVJISA-N 578.640 7.119 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385587 PSMXATGLUNIZFQ-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCCC(C)C 101393352 YKLBWGSAVINMNI-HKBQPEDESA-N 566.654 7.229 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1 102835472 HQIHDLZFRFYOSO-USHMODERSA-N 511.647 6.673 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccn3c2=O)cc1 102845419 CKHAWOSIPXFPLO-RRAHZORUSA-N 546.652 5.548 50 10 KKGE N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 103797001 WUYIVHYTDKYEAN-XODNFHPESA-N 553.210 6.172 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 103879792 XPGBDPNYCXVIEV-KEIPNQJHSA-N 560.610 6.712 50 10 KKGE COc1ccc(C)cc1N(CC(=O)N/N=C(/C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1 103902746 SLOSBQHQHFSKES-NHYZDEDTSA-N 619.143 5.953 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 105151298 VTKDUQKVSYUSJM-ZPOUEADKSA-N 561.111 5.940 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 105660893 RMXWMPGYMMRGGT-LQKURTRISA-N 545.275 6.133 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@@H]2Br 150400401 MWMJYPKSKUJTAY-ICTDUYRTSA-N 639.270 6.606 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1F 150442840 GYNIXIUUXSBQMT-AREMUKBSSA-N 738.810 9.273 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 150473719 HYFBETRVJMYTBP-VIZOYTHASA-N 720.088 7.235 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 150592445 DOBQIXCYBDYCOM-PLRJNAJWSA-N 644.731 5.376 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198746193 OSMXLRRPPQUMES-KPGMTVGESA-N 539.846 7.569 50 10 KKGE CNC(=O)COc1ccc(COC(=O)[C@@H](CSSC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1 199050988 AQIPDLUQMOGNCZ-MUUNZHRXSA-N 638.808 5.950 50 10 KKGE O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1 201707994 MPYFOPBFHMGXPI-VWXDNAKMSA-N 544.615 6.780 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205656582 YBCSLOOAXOBGMJ-JBXJFQBWSA-N 552.671 7.009 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@@H]2CCCCO2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 211874381 VAQLZJZVGRUENW-UYZBEYOASA-N 729.292 13.315 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214262743 PUJOCYARPAKKIT-LBRHQESJSA-N 508.622 6.026 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214348794 UAJRVNLFVMQQBW-NVMPUMLXSA-N 608.673 7.092 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214434306 FEFFRPJXVZEFMW-RGXNXFOYSA-N 634.664 5.429 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253576913 WKUDHDIPCAIQLC-DEOSSOPVSA-N 587.193 6.948 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1 254349901 PEORMYIRCFPBAJ-UHFFFAOYSA-N 630.705 6.068 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254438788 DJGUFIMBXIGQCV-UHFFFAOYSA-N 600.844 10.169 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1 254439038 KAEOWBUHQCKWAG-UHFFFAOYSA-N 522.601 6.428 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)COc2ccccc2C)c1 254700876 YQADOYYENKOEQU-UHFFFAOYSA-N 560.242 5.577 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)n2-c2ccccc2)cc(OC)c1OC 254836613 ZVGXVCPPDGBODU-UHFFFAOYSA-N 595.681 5.995 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C(Br)Br)[C@H]2Br 256019276 RKNYBCOHRMGSLV-SPTKLTMTSA-N 960.076 9.661 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)cc(Cl)c1)[C@H]2Br 256019299 SETOXOJHJUZSQB-UVBJJODRSA-N 548.928 6.618 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2I)c(C)cc1Br 300476511 JHZLRUZBJMXCDB-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cccc(Br)c2F)C1 382685626 IKEUXNQKENSYHX-GDBMZVCRSA-N 518.164 5.375 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2I)c(F)c(F)c1F 395618502 SNUZBTAPULAUJL-JTQLQIEISA-N 523.887 6.094 50 10 KKGE C=C1/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 504040576 DCCWLTTWSBJXFK-BIHGIASXSA-N 771.257 11.465 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616588997 VMFYLWGANHVWAU-WWYOLODGSA-N 958.186 11.045 50 10 KKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1 721573385 RFAKIKPVUIZVOZ-LBPRGKRZSA-N 510.951 5.641 50 10 KKGE O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238021 OOFAZKCJXSKLFH-VWLOTQADSA-N 680.976 9.549 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccccc1Br 1084012819 CPMPCEBBLRIDDZ-UHFFFAOYSA-N 629.920 5.175 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(Br)cc1OCc1ccccc1C#N 1084134050 GPUATSFGHSPCGO-OCKHKDLRSA-N 508.397 5.193 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1 1084272716 UUKYPCAJDNALCR-UHFFFAOYSA-N 539.123 6.966 50 10 KKGE BrC[C@H](Br)CN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084644926 YNQQRINKWJPEBR-NSHDSACASA-N 648.906 6.560 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750937 DBBNZDMVNZGEOQ-UHFFFAOYSA-N 507.377 6.166 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2Cl)cc(Br)c1OCc1ccccc1 1772753874 CXVYJORHUAHQQK-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755678 OINYEUPJTSVEEI-UHFFFAOYSA-N 570.322 6.226 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(SC#N)cc2)sc(C)c1-c1ccc(OCC)cc1 1860748268 VOHOIITWRCHNIM-UHFFFAOYSA-N 509.609 5.449 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688117 JUUVXUOXKXWPQG-SSEXGKCCSA-N 542.639 6.604 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688123 JXSRWSRRBMKWIJ-LJAQVGFWSA-N 555.078 6.386 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689839 XNDKKAUIAAMXSA-QHCPKHFHSA-N 577.410 5.441 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)c1 1865692854 GGRRQFGBIZZMSX-AREMUKBSSA-N 510.569 5.753 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865696363 ZTXOIEHKIJSKGA-PMERELPUSA-N 559.069 7.357 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702721 CIVYCHLFRHZNQA-SANMLTNESA-N 517.416 6.344 50 10 KKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865702855 GTXXQVKBKKJZHS-XMMPIXPASA-N 513.425 6.104 50 10 KKGE Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)c(C(C)(C)C)c1 1865759670 LRXBVQBJYCBSOD-UHFFFAOYSA-N 500.426 5.810 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)sc2c1 1866128274 GYLUYSGSKBIMDO-GHRIWEEISA-N 503.049 5.306 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C[C@@H]1C 1868320594 LLYJJVGHOGCSPU-VXKWHMMOSA-N 502.688 5.704 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434235 YTTKPUWGLQMUSM-VWLOTQADSA-N 568.146 7.922 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCCc4ccc(N5CCCC5)cc43)n2)cc1 1868527887 JVDJPZLWDMANRE-UHFFFAOYSA-N 548.716 7.544 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C)cc5)cs4)cc3C2=O)cc1 1872749163 DSPDSIIDUBRJCN-LCUIJRPUSA-N 507.571 5.873 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 1872755873 KIGTWDCBRIQROK-HOUAUGALSA-N 514.434 6.528 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 1873499315 PNDHMIGEOWKLTH-BLLKKSLCSA-N 516.038 5.415 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924594596 ONIMERVZPIBOET-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE FC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782107 GIORKFCLXRTUSC-DQSPEZDDSA-N 558.703 6.778 50 10 KKGE Cn1ncc(Br)c1COc1c(Br)cc(CBr)cc1Br 2087324944 GJWCMUOTQRHPQR-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE Cn1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)n1 2141470520 HVVCZWAQYQYFLQ-JTQLQIEISA-N 601.156 6.561 50 10 KKGE CCc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2141477174 MPVPBUQVDJSEQP-ZDUSSCGKSA-N 552.351 7.689 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206398962 AVYFEQBGRPLNIM-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)cc2I)c1Br 2207263417 XHSDNUPWHGYCRD-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(Br)c2Br)c1C 2218779424 GXIZWOGFEXWVEE-LLVKDONJSA-N 517.906 7.137 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2234071608 XGWPWDWOPHZCJE-UHFFFAOYSA-N 508.645 5.636 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2I)c(C)c1Br 2235609011 APTBAPNUCDLAAJ-CQSZACIVSA-N 576.867 7.056 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(Br)c1Cl 2283560675 JYSWDYBNONDEJN-GFCCVEGCSA-N 595.294 6.963 50 10 KKGE Cc1ccc(CBr)cc1NC(=O)c1ccc(I)c(Br)c1 2296115615 MDHVKPXHRGERMY-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296506696 AESPXFCPZQPPLF-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)CC1 2296648392 QCOXMGIFPDYXEL-UHFFFAOYSA-N 550.667 5.771 50 10 KKGE N#CC(=Cc1cc2cc(Br)ccc2nc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 2297315991 CQKTZWIDGQDJPQ-UHFFFAOYSA-N 520.795 6.945 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297322421 GBLNXETVVXRUDM-UHFFFAOYSA-N 540.417 6.187 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 2313567451 HONQYJWZELDHRL-UHFFFAOYSA-N 642.118 7.794 50 10 KKGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(I)cc2)cs1 2314486505 DEKHDBSRZBHVAF-UHFFFAOYSA-N 524.343 6.178 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@@H](C)C2 2314571115 BHTSKLAKFWAGHU-CQSZACIVSA-N 529.445 7.162 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592161 MUMUOAYVTXEWNL-VWLOTQADSA-N 586.035 7.131 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314610592 JQGVULJBYJXFJV-HXUWFJFHSA-N 506.606 5.419 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314621004 YJLLMSGYASDVTK-UHFFFAOYSA-N 645.546 8.218 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634788 LIFYTCYRFZHQCN-WJOKGBTCSA-N 524.617 6.410 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(Cl)cc2I)C1 2317800225 INHOMNFITVNCSI-GOSISDBHSA-N 591.655 5.666 50 10 KKGE N#CC(=CN1CCC(Cc2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599228 WVFXZZYWUFENDH-UHFFFAOYSA-N 504.678 5.282 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331256754 XWBSSJBTSIOZDD-DEOSSOPVSA-N 517.676 6.363 50 10 KKGE CC(C)c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 2331327748 OYTNRNIEEFRKCW-ZETCQYMHSA-N 505.210 6.357 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c(C(C)(C)C)c1 2331376854 CUTNEOUGIRZRAC-UHFFFAOYSA-N 515.031 6.658 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)c(C)c1C 2331468342 ZWGNHMCFYDUNIE-UHFFFAOYSA-N 513.457 7.058 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426683 NSCMEQYZDNLDAD-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1I 2362237941 UCQAGAJTSXQGIT-LBPRGKRZSA-N 597.285 7.401 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)c(Cl)c1 2365222245 BHYAIKXIDLRMBG-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE CC(C)C[C@H](CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2382185441 YPLKAWCKWKWBBP-QGZVFWFLSA-N 506.323 6.228 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(Br)cc1OCC(=O)Nc1ccccc1C 2779826 POJNFAQGPZCGEM-YDZHTSKRSA-N 570.443 6.483 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2F)ccc1OCc1cccc2ccccc12 6600620 JUGZIQGRKFCHSO-HMAPJEAMSA-N 545.408 7.265 50 10 KKGE Cc1ccccc1N1C(=O)[C@H](Cc2c(Cl)cccc2Cl)S/C1=C(C#N)/C(O)=N/c1ccccc1 13749150 WDIVLBRZDYIKGQ-GJFYNSNLSA-N 508.430 7.016 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38682846 DFMXUXPYCZBADR-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccccc1 40846814 UHNHSDQJIDACEA-BIZUNTBRSA-N 502.655 6.517 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59154010 ZRUBSRQZTJNZTN-MOUZGGBRSA-N 502.785 5.481 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100143365 BAWQBVGBDJRIRP-UHFFFAOYSA-N 550.247 5.240 50 10 KKGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100179324 ITMGSUXNXBTWPD-UHFFFAOYSA-N 560.720 5.611 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 100237111 GZBAHPKNUZVRBI-JNJFLXMWSA-N 547.051 6.443 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245706 DDNPXFMAPFAQFH-UZEPBSNMSA-N 501.583 5.598 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101339515 CNSCPTQPIOIJLL-FMFFXOCNSA-N 608.673 7.358 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101339819 QXKQBHJULHXULK-AUEPDCJTSA-N 547.394 6.094 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101340427 CAAQCRAFWPFFHH-CVKSISIWSA-N 533.519 5.379 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101368176 SXSCAANGSSARGR-UUWRZZSWSA-N 574.677 7.220 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 101375362 XCBHHCFKNYRARS-MHZLTWQESA-N 518.635 6.543 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378549 QNSGNXJWSUBRLH-CDFXGTJGSA-N 528.608 6.719 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385387 RUQBCROSUVVTSL-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387185 LGSKUCPQMRQSBE-HKBQPEDESA-N 587.003 6.269 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 101391199 VSALFXPJTSVMAW-FQEVSTJZSA-N 527.816 7.299 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101395591 NCPAJMPTYXJYHK-HHHXNRCGSA-N 534.996 5.829 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(-n2ccnc2)cc1 102832646 WNKUKRRIKPGJDR-GMEAVFFOSA-N 616.118 6.210 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 103887319 YQEKOCQRMNEZIH-JMIUGGIZSA-N 551.238 6.516 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 103887488 NOGWZUVSILVOAI-ZDLGFXPLSA-N 591.218 6.626 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1 103888242 OSFDOECRDGMNAV-NDENLUEZSA-N 617.281 6.886 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1 103888822 LXYZIGXLKLYQGI-YVLHZVERSA-N 532.221 6.889 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)C1 110559479 QGXUDZFDRPRSBU-ZRZWOPFXSA-N 565.724 6.634 50 10 KKGE CCCOc1c2cc(CCl)cc1Cc1cc(CCl)cc(c1OCCC)Cc1cc(CCl)cc(c1OCCC)Cc1cc(CCl)cc(c1OCCC)C2 150342590 XCYJNZCPDHLBRV-UHFFFAOYSA-N 786.708 12.474 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 150478788 UNGROQMBXJZGTL-QFDQHJFZSA-N 671.853 8.363 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 150483582 OIBPFDWDJUELNR-PMERELPUSA-N 635.931 8.452 50 10 KKGE CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)ccc1OCc1ccc(Cl)cc1Cl 163623209 FXEVTMOGKKIJHT-VVEOGCPPSA-N 674.479 5.584 50 10 KKGE CCCCCCc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(CCCCCN)cc(P(c3ccccc3)c3ccccc3)c1O2 195934687 HADOXTBMWSZLKN-UHFFFAOYSA-N 747.944 10.429 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 205671071 YSBGRDYMTGGXHQ-ATDHEJMJSA-N 618.705 7.938 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 205780441 NXGPQJJYDCMLHY-CPVAOEHFSA-N 652.704 5.002 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](N)CO[P@@](=O)(O)OCC[N+](C)(C)C 210109283 VHUANLHPOICHQL-VFZFTLRCSA-O 579.900 7.801 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)cc1Br 235824301 NGPZPJITBYAPDL-CQSZACIVSA-N 518.389 6.592 50 10 KKGE COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 245297179 POIMRNZXDNXRME-JQSHXNIYSA-N 563.890 7.727 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1 254399174 JMRLIUQKNOXKFL-UHFFFAOYSA-N 536.588 5.005 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](Br)C[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 254402856 LRUCATHKPYDWOQ-LPMSNZIOSA-N 571.684 9.707 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nnc2-c2ccccc2)cc1 254819040 OUHVWCGFMGNUIO-UHFFFAOYSA-N 563.683 6.154 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)o2)cc1 254834204 UXAYTIVXMSLEJO-UHFFFAOYSA-N 507.590 5.446 50 10 KKGE CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 257157205 PODSSBXKTWSWQL-AHBQBRTCSA-N 510.923 10.360 50 10 KKGE Fc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(I)c1 312459326 ALEHUJBDEPEGIN-VIFPVBQESA-N 543.943 6.757 50 10 KKGE Clc1cc(Br)ccc1COc1c(Br)cc(Br)cc1CBr 312734619 WTDZWYDSCTWDMK-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C 504743104 UYCWFCMOPJKMKJ-UXTXHUDBSA-N 533.281 10.416 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(Br)c(Br)s3)c2O1 720123085 GAXSHPDETDWEJZ-INWYIAFRSA-N 501.465 6.687 50 10 KKGE Fc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721591656 DMDGTQOQTKSHJT-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE Cc1sc([C@H](Br)c2cccc(F)c2I)c(C)c1Br 724927070 DYPQDTKXQBICRL-LLVKDONJSA-N 504.000 6.355 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1C 725448037 LMRNEVAAIDNACB-JAIQZWGSSA-N 540.255 6.953 50 10 KKGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 886012585 LJZYUHILMGEOPH-WRLRLNKNSA-N 615.863 5.756 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCCCCCCCCCC 888086714 MFRRUFKMHQGENX-WBVITSLISA-N 755.694 16.324 50 10 KKGE CCCc1c(C=NNC(=O)c2sc3nc(C)cc(COC)c3c2-n2cccc2)c(OC)c2c(c1OC)OCO2 1081098333 BJWKQKWKROIQJD-UHFFFAOYSA-N 550.637 5.004 50 10 KKGE C=C(c1ccccc1)c1ccc(/C(=C2\N=C(C(c3ccccc3)=c3ccc(=C(C4=NCC(C#N)=C4C#N)c4ccccc4)[nH]3)C(C#N)=C2C#N)c2ccccc2)[nH]1 1081824425 PDZCYRHHZLACTR-XZICDYGZSA-N 730.835 7.859 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1083942751 ALARMKJRCNRUEO-UHFFFAOYSA-N 541.482 7.931 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084008971 ZLOWKPYBKWZUDR-SXGWCWSVSA-N 502.741 6.680 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1Cl 1084032905 AJNKNVVWUAZCCT-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084160640 BBJCUXSQDOMNDQ-BGYRXZFFSA-N 586.655 5.194 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084297362 PMXKMBKXAFHFIO-UHFFFAOYSA-N 609.546 5.601 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1 1084333032 KGYQZLQCIFSAFB-UHFFFAOYSA-N 565.673 7.957 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCc1cccc2ccccc12 1084334361 OOQAQSSAQQYOIY-UHFFFAOYSA-N 664.500 5.673 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1C#N 1084335752 IFCZELMLUWWNPE-UHFFFAOYSA-N 512.791 5.716 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1 1084379349 MBTXINJWIAIVQA-UHFFFAOYSA-N 529.625 6.519 50 10 KKGE CC(=O)Nc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 1084418932 GLJMFTRWTCNSQY-UHFFFAOYSA-N 540.712 6.375 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084501322 HOHFULROKIPKDM-UHFFFAOYSA-N 623.731 6.090 50 10 KKGE CO[C@@H]1C=C2[C@H]([C@H](CO[Si](C)(C)C(C)(C)C)O1)[C@@H](OC(=O)c1ccccc1)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@H]2O 1307258403 SKCXTWWSSAUDLN-LDVAZLSXSA-N 715.048 7.025 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)COc2ccc3ccccc3c2)cc(OC)c1OC 1565517611 SOCSJTIRQVIQEN-UHFFFAOYSA-N 672.326 6.139 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Br)CCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536949 FZJXXSXLNFVUGM-NAVCKDPZSA-N 563.705 10.182 50 10 KKGE CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614987422 DKITXMAGJGKRLG-UTHYLGFQSA-N 548.924 5.529 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719606 DMBICMPGLKATNC-SFHVURJKSA-N 541.000 5.201 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772745231 UJZZFGGIVLCHPL-UHFFFAOYSA-N 517.383 5.621 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747994 HNAMBXSAAKYGRT-UHFFFAOYSA-N 517.629 6.170 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 1772755163 RCKCXFHGPURMEI-UHFFFAOYSA-N 538.094 6.602 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1865684547 RUGLZWZGDJAGMD-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865686736 ZBRZNTISSIOYMW-NRFANRHFSA-N 542.253 7.430 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865695472 DCVMMTRUIHSJTN-HHHXNRCGSA-N 500.643 6.319 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701267 RAELHRTVIBLPSW-LJQANCHMSA-N 578.692 5.986 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1F 1865702160 OIZDAMWXOOZUSR-JOCHJYFZSA-N 535.804 6.372 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708382 VSBVKYMJKSZEMQ-RUZDIDTESA-N 546.986 5.635 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712423 YBDSQMWUPLKGRP-MHZLTWQESA-N 529.015 6.474 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 1865715172 YNRYFHQCODHHLX-NRFANRHFSA-N 538.232 6.827 50 10 KKGE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218324 AMCAPSLTBUKSRP-BJKOFHAPSA-N 521.614 5.472 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342568 WICRKGJYMNTADF-MHZLTWQESA-N 517.699 6.868 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433191 HDHUKVCNTLZFBR-UHFFFAOYSA-N 576.147 6.804 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1OC 1872745346 IUVPMAOVZXGUNG-DAFNUICNSA-N 509.543 5.578 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OCC)cc3)c3ccccc3)n2)cc1 1872749433 RDFNGFQLPZWLOA-IZDCIWNSSA-N 508.643 8.031 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1 1872752944 AITVDUZWUFYMDE-GPEDRGBMSA-N 520.698 9.193 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 1872755875 KIGTWDCBRIQROK-LLCFEACKSA-N 514.434 6.528 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 1872818326 XFAHRQNMKMNTQA-ATJXCDBQSA-N 503.461 5.978 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc4cc[nH]c4c3)cc2)sc(C)c1C 1873496120 DFPKRIMLYNRQKR-UVPDUMAMSA-N 532.622 5.193 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc(I)sn2)c1 1899873831 GLVCECQIHICDLR-KRWDZBQOSA-N 565.068 6.574 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1sc(Br)cc1Br 1922947046 YFIPLRMKQXVHJO-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CC2 1924571289 QGLOFOKAYGMGIA-XINAWCOVSA-N 515.837 6.517 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2c2ccccc2)c1Br 1924596970 WCHDRCUWGQABEQ-WCABBAIRSA-N 529.917 7.275 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1I 2026133890 WVLXKOAHRBUOQP-NSHDSACASA-N 550.879 6.670 50 10 KKGE N#CC(=Cc1c(-c2ccc(Cl)cc2Cl)nc2sc3c(n12)CCCC3)c1cccc(C(F)(F)F)c1 2040742202 UTQDBEYCUMTJPO-UHFFFAOYSA-N 518.391 8.331 50 10 KKGE Cc1ccc(NC(SCC(=O)Nc2ccc(OC(F)F)cc2)=C(C#N)c2nc3ccccc3s2)cc1 2053623095 DSWLZKHMHRXOGJ-UHFFFAOYSA-N 522.602 6.882 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cnn(C)c2I)c1Br 2136380173 RXRGRBUJBTTZLO-GFCCVEGCSA-N 518.418 5.495 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCC23CC3)c1Br 2141470828 LCZXYPRTMFIMOY-RDDDGLTNSA-N 580.778 7.753 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206396731 AKVGZJGZRROCPW-LLVKDONJSA-N 598.699 7.499 50 10 KKGE Brc1csc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229717413 DYUJEGMGCKQHBC-LLVKDONJSA-N 531.889 6.455 50 10 KKGE Brc1cc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)ccc1I 2240435287 YRCYOFWTKCGFJE-MEBBXXQBSA-N 528.047 6.103 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2241001528 PFOFAUXEJXMQKQ-GFCCVEGCSA-N 702.642 8.134 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CCCC23CC3)c1Br 2255271972 YTVRMASVOCLRRW-SFYZADRCSA-N 521.938 7.442 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2260511478 IFESOMWPOCJYMN-LIEFSGRHSA-N 521.938 7.442 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(I)c1 2272849915 OBZQCFNTEKTJAH-LLVKDONJSA-N 566.803 6.579 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1csc2c(Br)cccc12 2282895495 YMOYWTDFZOSJEO-AWEZNQCLSA-N 526.006 6.892 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1Cl 2283558226 AJYKOSDWPFNACJ-LBPRGKRZSA-N 548.294 7.120 50 10 KKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2F)cc1I 2285014905 YJAPWVKSSULHKU-LBPRGKRZSA-N 513.970 5.880 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)cc1 2295489482 OAACIMGYZKBBGN-UHFFFAOYSA-N 582.664 6.948 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccccc2)cc1 2296506981 OAUFOFXWQHPNLU-XMMPIXPASA-N 565.573 5.947 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OC(=O)c1ccc(OC)cc1 2297559927 VSFPHXNSPXAGTA-UHFFFAOYSA-N 535.350 5.009 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccs4)c(NC(=O)c4ccc(Br)cc4)s3)o2)cc1 2314432503 AKDOOQVGOFXTGD-UHFFFAOYSA-N 630.545 8.387 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489680 VFVNNMFXSAEGBF-UHFFFAOYSA-N 583.072 8.640 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592064 LCNMGWKGMPZVKT-SANMLTNESA-N 550.511 7.490 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314618077 GSSGZYLKLGHOJK-UHFFFAOYSA-N 544.611 5.357 50 10 KKGE FC1(F)C[C@@]1(CBr)COc1c(Br)cc(Br)cc1Br 2326816599 ZVOOLZGZLOPIFU-SNVBAGLBSA-N 513.796 5.773 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 2328818804 WFADBOXWBVKPKI-HNNXBMFYSA-N 510.418 5.334 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 2331273692 NUHYYFMJAXSMDZ-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 2331376996 UMKFFVXTNBVNAH-DOTOQJQBSA-N 510.015 5.883 50 10 KKGE Clc1ccc(I)cc1CO[C@H](CBr)c1ccc(Br)cc1 2380345811 FULJLZTUGUHQNP-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12492094 WANCCPGCAOEUQZ-UHFFFAOYSA-N 501.627 5.374 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659835 ZKYPHYGWUJNQHU-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38681986 ZNOFVUKUSTYCFJ-SANMLTNESA-N 504.608 6.153 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38686192 QKSBVMQICXOEHO-PMERELPUSA-N 512.606 6.021 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100181949 KZOZTDCDIRJLEF-UHFFFAOYSA-N 623.367 5.504 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc(C)c1Cl 100206055 BZYLBHNESQCQRE-UHFFFAOYSA-N 531.834 5.181 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101245062 DVUASVPTSOQGJT-SCHJHDHGSA-N 560.517 6.946 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101334723 RPYPQPUJGLPVEG-WKULSOCRSA-N 611.529 7.673 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C2=O)cc1OC 101339256 URQCBQKXHCYJHY-OVVQPSECSA-N 589.608 5.300 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 101363619 VHUYSTPGAJVIOR-WGDIFIGCSA-N 533.422 6.164 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101367750 AMLNVHQXJMYASM-XDBZFTIUSA-N 532.568 5.604 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383258 XUCJCMXONBDWED-CQCQKMNVSA-N 591.107 8.053 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383943 JVHQHVDVHBGFMX-DEOSSOPVSA-N 612.482 6.303 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1F 101389082 VMHQDSNJEIOIES-UUWRZZSWSA-N 594.639 6.623 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101393070 QQJBWYQWSRLIBW-NDEPHWFRSA-N 559.018 7.020 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCCC)c(Cl)c3)ccc21 101397322 RKTIGNBYDWKENS-LJAQVGFWSA-N 595.523 8.179 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)CC1 101399351 HNUQECAJQUWEET-CJJUWATJSA-N 601.143 8.048 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 101683472 CAVNLGYJNDQFAC-NCELDCMTSA-N 538.043 7.723 50 10 KKGE O=C(CCCCCCCCC(=O)N/N=C/c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl 103627036 POHFTBNFYHNQMB-CMNXJCJSSA-N 544.310 7.021 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103741497 NVPXHUUZKUUNFB-IQQNDYETSA-N 573.299 6.821 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 103852042 ZCLNSPJXYLSBOO-FJEPWZHXSA-N 542.419 5.970 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)sc1Br 135308617 CANHBEKZFLJKKO-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 150429089 LHJNEXNUQUYRNS-ZZJXEYPFSA-N 634.321 5.851 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433004 LWJVKLBDZKOJOY-UMSFTDKQSA-N 645.539 7.791 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 150460752 MDJFMJKPNFBXJB-AREMUKBSSA-N 643.976 8.732 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 170152705 PPFHNIVPOLWPCF-SSTJLMRISA-N 541.071 6.075 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214422087 XSHNMBGQTVGCEE-FSGOGVSDSA-N 572.621 5.274 50 10 KKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 217254166 XAFMFQVNOHUODH-LUAWRHEFSA-N 539.217 6.095 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1I 236038499 YGFCYWLXXOTZGP-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE Clc1cc([C@H](Br)c2cc(I)ccc2Br)c(Cl)s1 236071206 BNIWELDVKVGRPY-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 252620817 MMPCNKKUDUBXJX-CLNAUNSCSA-N 583.280 5.785 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1OCc1ccccc1 254294049 PFAUEVDDXWWIIX-UHFFFAOYSA-N 610.761 6.156 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254846616 NXOAHUILRDIQJI-UHFFFAOYSA-N 653.651 8.193 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019117 MIUAZYCXOGJNJS-GOWPGPDZSA-N 882.946 8.902 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1cc(I)cc2c1OCC2 306059404 RZRXTQSMHQQGJQ-LLVKDONJSA-N 534.438 6.141 50 10 KKGE Clc1cc([C@H](Cl)c2scc(Br)c2Br)c(Cl)c(Cl)c1Cl 705473543 AQZWJYUNGMKPJC-QMMMGPOBSA-N 504.285 8.215 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@H](C(=O)Nc2ccc(-n3cc(CNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cc2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 725238119 DFYPXYLXXBRPOO-FERZZSJZSA-N 927.617 6.228 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 725432380 QTTDNBOFHMYYCT-UHFFFAOYSA-N 644.389 5.965 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1083941353 FEWCWTRUSCQFBK-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 1084023760 IBBRMTGOUSHDGC-UHFFFAOYSA-N 579.520 5.587 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1 1084059208 ZDHGSTVTSQTRDC-UHFFFAOYSA-N 600.513 6.680 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1 1084069361 ITOCEEMYTAFNPG-UHFFFAOYSA-N 613.677 6.449 50 10 KKGE COc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Cl)cc1Cl 1084168472 XSWALEYHEMPCSB-UHFFFAOYSA-N 535.427 5.967 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084242552 BBRLIPZCYCQVLN-VWLOTQADSA-N 545.463 6.334 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccs1 1084264463 JTDAILQVRFODPV-UHFFFAOYSA-N 515.966 5.156 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 1084273284 MVKUVOYIKSEYMT-QHCPKHFHSA-N 558.416 5.233 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1 1084387936 RXMHPYDXMHJSAK-QFIPXVFZSA-N 593.259 5.597 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1084394874 HZVJMIDKBHEEKF-XMMPIXPASA-N 603.413 5.141 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc(F)c1 1084415546 ZSFBZWHHWLQLIX-NLRVBDNBSA-N 511.597 5.398 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Cl)cc1Cl 1084521235 GVAWXXZBTZFDRD-UHFFFAOYSA-N 569.308 5.140 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084530922 XIEJHHXFFKWPQW-FQEVSTJZSA-N 573.356 5.030 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1 1084638568 SRTJTISRHSSYAB-UHFFFAOYSA-N 572.253 6.699 50 10 KKGE COc1c(I)cc(I)cc1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 1565517510 HKQUZZXPYHTTBY-UHFFFAOYSA-N 693.320 6.056 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Cl)CCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537977 FRORSYDIKBYDEQ-IWROOGOWSA-N 505.227 9.635 50 10 KKGE CCOc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 1772755553 LZDPQUYLBNTFOP-UHFFFAOYSA-N 556.295 5.923 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682818 YAJLZWRIMOTQBP-HHHXNRCGSA-N 553.449 7.285 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865684802 YSIRNUYIZBPTER-NRFANRHFSA-N 505.361 5.778 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cc(Cl)ccc1O 1865689452 SHYQUMAOMWKHAY-HNNXBMFYSA-N 511.685 5.231 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865691924 FBGNTCIYOSNXGC-DEOSSOPVSA-N 516.960 5.626 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696525 GZLNAERCTDXGPS-IBGZPJMESA-N 539.341 6.212 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696596 IGJFDLRUKZMLNV-AREMUKBSSA-N 527.024 6.598 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865702931 IPIRDFFGVILSJQ-LJQANCHMSA-N 539.341 5.942 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703840 GQNSAJABSHZYIV-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703899 IFNMORMVIGJJAW-VWLOTQADSA-N 551.861 7.192 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703962 JPKAPUXBTMSOFK-PMERELPUSA-N 547.058 7.098 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704104 NITCFXIFPSSOKT-AREMUKBSSA-N 572.974 7.495 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867067490 NUECHWVJDPEWQY-HHHXNRCGSA-N 540.645 5.251 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)n2)cc1 1868527979 LKDNKXIGJLHOIC-NDEPHWFRSA-N 552.679 6.418 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872753971 WQAFIUGPELPVFZ-BMJXPWMWSA-N 501.608 5.939 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c2ccccc12 1872758896 VWQQDTFNXIUHCE-QLYXXIJNSA-N 514.563 5.667 50 10 KKGE Brc1ccc([C@@H](Br)c2csc(I)c2)c(Br)c1 1994134533 DTLFOQREZPXPQK-NSHDSACASA-N 536.852 6.362 50 10 KKGE CCc1nc([C@H](Br)c2sc(Br)cc2Br)c(Br)s1 2003570494 JSJASEHVRUVCGV-ZETCQYMHSA-N 524.923 6.539 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2ccc(Br)cc2I)c1Cl 2086139654 RNCGCMHKFVYEBI-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE BrCc1ccc(Br)cc1OCc1cc(Br)ccc1Br 2118520233 RZLAMRIQTQHQGO-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)nn(C)c2Br)cc1Br 2129264849 FVCULTMUBVEELY-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2138864285 OEUIDNYRHAFBAC-CQSZACIVSA-N 532.295 7.373 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)ccc1Br 2145957411 PPBDJXLZTQAWJM-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1cc(Br)ccc1I 2146719999 QMCPOWOZIDJPHO-HZMBPMFUSA-N 515.027 5.127 50 10 KKGE Cl[C@H](c1cccc(Br)c1Br)c1cc(I)cc2c1OCC2 2148749120 GRMIIDMWMVWWSG-CQSZACIVSA-N 528.409 6.079 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2156115040 ATJOAHJQBJIRAK-AKGNYGMASA-N 513.467 7.531 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1I 2203000444 JUVFGXJWUBICGQ-CYBMUJFWSA-N 595.294 6.963 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCCCC2 2206394062 DABIFXBVAAGVSJ-XLKFXECMSA-N 550.354 7.987 50 10 KKGE CC1(C)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2216422248 VBZCEGJYKBRZLQ-LDWIPMOCSA-N 509.927 7.093 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sccc2I)c(C)c1Br 2220156495 HQHAGBKNHCZFAB-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)s1 2229318052 PLUOAURXNVIVDZ-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)s1 2229326048 QNZRIBRBQAXXIU-GFCCVEGCSA-N 514.020 5.843 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 2233033281 YWBRKRBDUFFGHU-ZDUSSCGKSA-N 594.932 6.899 50 10 KKGE O=C(C=Cc1ccco1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)cc1 2294970656 LHMWVIRWEARZFE-UHFFFAOYSA-N 606.776 6.725 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)C(=Cc1ccccc1O)NC(=O)c1ccccc1 2296646530 KUSUSOILOMRYTF-UHFFFAOYSA-N 530.378 5.336 50 10 KKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2308643617 XBWSKTCTPUMMPT-SOWDYBQPSA-N 529.864 6.763 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314448945 MACLNPXXASIZNN-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1Cl 2314476330 MWEVXDJUKMCJJS-UHFFFAOYSA-N 511.050 8.045 50 10 KKGE CC(C)c1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593164 INFFHFSXRAXTPR-YUDQIZAISA-N 537.729 7.237 50 10 KKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314611059 PJHJFUXXYWVDNE-UHFFFAOYSA-N 507.030 6.490 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617776 ALZXWFDPIWIMET-RUZDIDTESA-N 572.734 7.785 50 10 KKGE COc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 2328796673 SKVXNPLVTAUSAM-NRFANRHFSA-N 504.027 5.317 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1C(C)C 2331356007 CSXQWWBSGAXERQ-UHFFFAOYSA-N 503.668 7.034 50 10 KKGE Clc1cccc(OCc2ccc(I)c(Br)c2)c1CBr 2349811976 XIBDFTPOMVNHIL-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CC(C)Oc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 14658826 JZPXEFJMUQDJMB-UHFFFAOYSA-N 504.208 5.163 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 38660691 JXJNLFPQGKEVFH-JOCHJYFZSA-N 511.759 5.548 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 38684108 UECBYWFVTWGATI-GDLZYMKVSA-N 526.633 6.465 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 100227454 WRVRJULHDWWCSF-XDHOZWIPSA-N 603.254 6.577 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101109080 KKZXDLNAILSAHE-USHMODERSA-N 509.404 5.214 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)c1 101115365 WJPHBCPSANTFON-RGEXLXHISA-N 529.394 5.720 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101245052 FLWGGZDHQHXHFB-SCHJHDHGSA-N 549.618 7.202 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246644 AIGFGJJREBSDBF-PMVZMBLOSA-N 554.455 6.076 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101334760 CURRZSQFXXPMGR-WWUWQWKFSA-N 597.741 5.208 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc(C)c1Cl 101362547 RLPLNODBMZJNBA-WJOKGBTCSA-N 567.041 6.738 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101367826 IBDOPUOSQIJOIL-PRAQEBQASA-N 542.632 6.028 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccccc1Br 101370481 AAYPXLPXKSAWKF-MUUNZHRXSA-N 537.413 6.405 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101372357 OHIVMQABXUDKDT-MGBGTMOVSA-N 570.686 6.980 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101375036 CGVDYVMNFOWGGN-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Br)ccc43)cc2)cc1 101378471 AXPUAVMWPLOZKS-GDLZYMKVSA-N 567.439 6.774 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380977 JBTIKFHJGIZTQU-HKBQPEDESA-N 571.004 6.569 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386170 QEPXBAVEMVMVRV-DOJVYNIVSA-N 595.051 6.773 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387555 ZHDKRDMSHLQSDF-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(F)cc1 101389482 WTOAWVNNHPYSBA-XIFFEERXSA-N 594.639 6.623 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101393548 FZHQIHOHAHBBTM-QHCPKHFHSA-N 581.875 7.072 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCCC(C)C 101395814 JHWAEGIXQZLIIG-YTTGMZPUSA-N 580.681 7.619 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 102006584 XIZXGBBDDMVFEH-UZWMFBFFSA-N 528.641 6.325 50 10 KKGE CN1/C(=C(\C#N)C(=O)C/N=C2C(=C3/Sc4ccccc4N3C)\C(=O)CN\2CCc2ccccc2)Sc2ccccc21 102848829 YWZIHKGMCDFDQE-VWHDDHJFSA-N 577.735 5.512 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccc(Cl)cc1 102935095 XTKNIZWHUORTHV-YVLHZVERSA-N 521.322 7.145 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 103795900 XDFURLGLAUICAZ-ODNPBWNPSA-N 588.922 8.756 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Cl)cc1 103879194 RWUUNUYNYATHGT-FJEPWZHXSA-N 553.840 6.929 50 10 KKGE CCOc1ccccc1N/C(SCc1ccccc1Cl)=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1 105423083 CJARVHCNPSNRBJ-IADYIPOJSA-N 552.096 6.195 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccc(O)c1 105509126 HSVXMPXBTYDVNA-UZWMFBFFSA-N 536.429 7.043 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150462011 DLKGNVGQJJAPSX-MUUNZHRXSA-N 698.411 9.540 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150479406 SWFCMCASSRFHPI-DEOSSOPVSA-N 711.212 9.389 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC 150497385 VGTRBWKXLYSZDS-FMFFXOCNSA-N 719.625 8.277 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 163268346 NXKLDEXFDRCZTB-MWAVMZGNSA-N 618.713 7.021 50 10 KKGE O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)OC3=O)c1)c1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)OC4=O)c2)c1 164242806 HLMVFQPNVJHFHE-UHFFFAOYSA-N 640.560 6.397 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232342419 RJLHFYWNZWMSBE-CQSZACIVSA-N 516.398 6.200 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]2Br 256019017 GLINZRHBGBMBIC-UVBJJODRSA-N 548.928 6.618 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](n2ccc(O)nc2=O)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O 306147335 XOHRAGVYVNTJQV-RJIGRWNCSA-N 600.788 5.606 50 10 KKGE Fc1ccc(Br)cc1COc1c(Br)cc(Br)cc1CBr 380172421 BKZOODXOASNWCV-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c(F)c1F 398579212 KUMRIIRLHYTTBM-NSHDSACASA-N 584.793 6.718 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)cc1OC 705466943 WPMWVVVGOBZSPN-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 721585802 HONMPSQRJNYAST-LLVKDONJSA-N 536.852 6.362 50 10 KKGE COc1ccc(CC(=O)N[C@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)C(=O)N[C@H](C)c2ccccc2)cc1 725238380 RIQKIGMWWKSRPJ-RNWIMVQKSA-N 546.784 6.227 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C 725397176 CWTMMKOHEGZHGQ-UHFFFAOYSA-N 689.420 14.642 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1083968625 ZHVOHJSNNXHVDC-CXUHLZMHSA-N 577.218 6.797 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1 1084092816 LMHBPJPBKQSJDF-UHFFFAOYSA-N 596.675 5.805 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084377180 JLYRLYSRXNFRFT-UHFFFAOYSA-N 595.121 5.419 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 1084493041 IUXSAIRDHLYDRU-MUUNZHRXSA-N 608.476 6.386 50 10 KKGE O=C(NNc1c(F)c(F)c(F)c(F)c1F)N1C[C@H](c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1 1088723215 ATDAWYKOVDKEOJ-CQSZACIVSA-N 515.269 6.229 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3C)CCC4)ccc21 1772744229 VAVPKKPKFSDZSX-UHFFFAOYSA-N 518.617 6.747 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746414 FIKXTFAQNHRAJB-UHFFFAOYSA-N 558.248 5.592 50 10 KKGE Cc1cccc(C)c1OC(=O)[C@@H](C)[C@@H](O)[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@H](C(C)C)OCN1Cc1ccccc1 1848434260 VVDXXAUDVUNJDX-CRRPKPRTSA-N 555.832 6.481 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682887 ZTUBXYGTHBTURH-QHCPKHFHSA-N 535.387 5.787 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688301 OWCLCMGXWMOSRQ-NDEPHWFRSA-N 506.606 5.591 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865689728 DBBCUSAZJLACDC-HHHXNRCGSA-N 525.052 7.039 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691493 UDGLZYRBGQCSJA-QHCPKHFHSA-N 561.004 6.789 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865693943 NCHOGRSDLNNSTM-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865694507 YPDJLQUMIKEMKP-LJQANCHMSA-N 518.923 5.619 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700839 FOAWKTSKKBZYLE-OAQYLSRUSA-N 558.347 6.390 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701092 LRXHFNGTKVYMGQ-GOSISDBHSA-N 509.315 6.026 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703209 PYJQOXMLBRDOEW-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705987 LGKFLDSJYDWUJM-MHZLTWQESA-N 541.051 6.261 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 1865712195 RUJMIMACUZVDPL-WJOKGBTCSA-N 538.651 7.012 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 1865897624 UXZUKIBOPAAYOX-HNNXBMFYSA-N 565.265 6.719 50 10 KKGE O=C([C@@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O)N(CCCl)CCCl 1866312586 QIMJYAXEIWHIEU-GFCCVEGCSA-N 922.892 5.619 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(Cc3ccccc3)n2)cc1 1868207343 KYWBRPKQJDOWBL-UHFFFAOYSA-N 545.716 6.230 50 10 KKGE Brc1coc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 1899877787 VUYTUQGLNMJDJS-SFHVURJKSA-N 501.012 6.868 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cccc(I)c2)s1 1901027241 YLQQZJMSGOIMDX-JTQLQIEISA-N 539.401 6.095 50 10 KKGE Clc1ccc(I)c(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c1 1915154808 WZEXUJQGRBKESS-LJQANCHMSA-N 504.637 6.120 50 10 KKGE Cl[C@@H](c1ccccc1OCc1ccccc1)c1c(Br)sc(Br)c1Br 1924602003 QOIMBMNJTCTWDK-INIZCTEOSA-N 551.525 7.943 50 10 KKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)sc1Br 1937734185 DTTVZUNVNCELSI-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Cl)cc2Br)c1I 1948823724 QPZLSNJVCCDYPK-JTQLQIEISA-N 506.428 6.561 50 10 KKGE C[C@@H]1[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025780019 NWBWSQCDHWYBEL-UMAXCYLZSA-N 510.289 6.919 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)ccc1I 2026132033 COMIEWWTXNAQNE-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cn(C)c(Br)n2)c1Br 2083318421 PGUUKJVRIMQMKD-NSHDSACASA-N 501.842 5.500 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673230 IZSWSLPIVUEGNC-CYBMUJFWSA-N 529.917 7.397 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1Cl 2136959279 RAFAJJRUHFWAOR-SFHVURJKSA-N 502.580 7.444 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146629707 SOKJFHYVHIDINN-CQSZACIVSA-N 528.409 6.126 50 10 KKGE Clc1ccc(Br)c(CO[C@@H](CI)c2ccccc2Br)c1 2200754896 VQVLQOSCMWVGPS-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)cc1Br 2202912723 WYVRGLMNRWNKNN-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE CC12CC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CCO1)C2 2206395864 QHUKYXYQQFCJHW-IYXRBSQSSA-N 596.777 7.132 50 10 KKGE Cc1ccc(F)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404559 AVFOZHVMJSOOAF-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1cc(Br)cc2c1OCC2 2207271666 JTDDICJLUWYOEU-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE Brc1sc([C@H]2CN(C3CC3)C[C@H]2Br)c(Br)c1Br 2216417264 FDWGXIKWHWBZIE-NKWVEPMBSA-N 508.899 5.361 50 10 KKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234061588 VIQNASKKJLUDNS-HOCLYGCPSA-N 511.689 6.068 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)cc1Br 2277892464 SHZHQMHSNCWPLB-CQSZACIVSA-N 532.295 7.259 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)cc(Cl)c2OCCOc2ccccc2Cl)c1 2293582733 JHXYZIROPWRETD-UHFFFAOYSA-N 501.797 6.959 50 10 KKGE C=C1C(=CC[C@@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293771963 NUBKILNTQUZPAJ-OSCWDSEASA-N 661.173 11.636 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2296647886 XNHBLFHZWSOFKS-UHFFFAOYSA-N 595.099 6.327 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1sc(Cl)cc1Br 2301118986 KGALLTLJCMAZIT-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518853 WSQALEBQFOJBQF-UHFFFAOYSA-N 570.641 7.903 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521311 FNGQDJZLLUMMEP-UHFFFAOYSA-N 560.775 6.895 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313571199 PPRXJFDLDJFYRL-UHFFFAOYSA-N 655.188 6.761 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(C)cc1 2313571487 XKAOYJNAPIDBFG-UHFFFAOYSA-N 507.417 7.164 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314415041 VLDNOQKRCNACBJ-UHFFFAOYSA-N 528.587 7.112 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450466 ZQNIZPWOXTYJBV-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Cc1ccc(-c2ccc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 2314572148 UPDPMIIICICLRV-UHFFFAOYSA-N 509.362 6.747 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592671 ZWOIZOGCTCQANM-SANMLTNESA-N 513.619 5.467 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314619555 BGCIMFGIUOYTGV-UHFFFAOYSA-N 533.519 5.379 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 2314634741 DVVRUUGSYZGJLK-GDLZYMKVSA-N 565.453 6.874 50 10 KKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646947 WAONGLGTIFMVPI-GDLZYMKVSA-N 632.742 5.491 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 2314755188 XLBIZIGGLRHHPA-UHFFFAOYSA-N 502.567 5.318 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1ccc(Cl)cc1Cl 2321672335 QVZULUSAHVBNPG-UHFFFAOYSA-N 522.432 6.705 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)C=Cc2cc(Br)c(OC)c(OC)c2)n1 2331322882 BYCXRKOBVOZYGE-UHFFFAOYSA-N 513.413 6.413 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331344780 LZTVEAGEHRJFDY-LJQANCHMSA-N 515.635 6.637 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 2331429226 GFGZWZBUSCMHQE-UHFFFAOYSA-N 515.078 8.458 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331443768 RUVQVYGKTGXXKA-UHFFFAOYSA-N 524.267 7.741 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2cc(Br)cc(Br)c2O)n1 2331469833 AIDPHZPISDSVDN-UHFFFAOYSA-N 520.246 6.730 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335302495 QKVFMXFATYPLDB-SNVBAGLBSA-N 511.863 7.512 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2337090149 JTBJENHXQXDSBQ-LJQANCHMSA-N 519.035 7.911 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)ncn1C 2339647550 BMVHQVDOCKHULA-SECBINFHSA-N 519.832 5.639 50 10 KKGE ClCc1cccc(Br)c1OCc1ccc(I)c(Br)c1 2349804595 FKCIJYCJMUGJMP-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(I)c(Br)c2)O1 2349839475 HVXWOXUXPYUCJS-HNNXBMFYSA-N 502.028 5.709 50 10 KKGE C[C@@H](Br)CN(Cc1ccc(I)c(Br)c1)CC(C)(C)C 2349858839 ZQJJZBCYGXYYTQ-LLVKDONJSA-N 503.060 5.685 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362249902 ICGQIBZUVNUXQI-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE COc1c(C)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2362872474 JKSPLMAZIIZQQI-NRFANRHFSA-N 510.653 7.483 50 10 KKGE Brc1cc(C[C@@H]2CCc3ccccc3[C@@H]2Br)ccc1I 2377250872 BHTGQXCQTVBXME-SUMWQHHRSA-N 506.019 6.295 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1790154 INBPIIYJMZBBNX-IQQNDYETSA-N 556.844 6.307 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccnc1 2323636 IYRRVBLHZOEDFQ-UHFFFAOYSA-N 521.418 6.733 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)sc2c1CCCC2 33343174 VTQVVSNZNWDZRJ-PGMHBOJBSA-N 514.603 5.877 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1 33855363 IVGWYODORVGCGL-CCUBOOHYSA-N 504.011 5.722 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38660074 DJKATGJZDXNDGE-SANMLTNESA-N 504.970 5.965 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38681998 IBKOIFHBEMZSOX-NDEPHWFRSA-N 516.569 6.231 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38684000 AZDLQDGLZNBUNE-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc1 59475101 UAAGSYOCEGNKDE-LTTYKRRRSA-N 515.400 6.188 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1 100234613 ZDWSLBWXKYADJB-ABZYITTCSA-N 545.861 6.044 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1 100452623 ACXYYJHBAPMEFD-CHVMBPBASA-N 593.259 5.597 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101231033 GFXRFNFFSNIFAZ-LQKURTRISA-N 595.486 7.203 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101332566 UJKGBSCQLGZYSF-WPWMEQJKSA-N 549.030 6.384 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384429 SZAHHUQFLCFASJ-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386069 CESFAALJEQDFBP-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387514 RIUFQQJZRQSUDW-GDLZYMKVSA-N 618.429 6.927 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101388323 MRWFUHGIMYIJGF-PMERELPUSA-N 587.459 7.408 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccccc1Br 101394004 SPPJXGDHXKMNBX-NRFANRHFSA-N 572.267 7.408 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccccc6c5C)ccc43)cc2)cc1 101397418 RPEOACBPXFXYIC-WJOKGBTCSA-N 542.591 7.066 50 10 KKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 101775370 VUZFGDGFLDXDMN-NCELDCMTSA-N 532.662 6.074 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 102457221 HEABLYYUPRSVKR-NLTRVXJZSA-N 504.011 5.804 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1 103878581 SKOSLBBXOCBCKU-ZSNJKBEMSA-N 568.048 7.597 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1OC 128292906 VGBHJOJCSHCYKF-NSHDSACASA-N 501.034 5.783 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 150389590 JFVWYNHFNWAPQL-IADYIPOJSA-N 656.556 6.074 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 150484873 OLHNDPGRJCNMSQ-WJOKGBTCSA-N 639.576 8.577 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCCC1 164014329 IZCFXQYCDYSKMJ-FABQOPTDSA-N 740.736 6.424 50 10 KKGE O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)cc1 164608213 LHDNUWYPJVWMEN-KKMKTNMSSA-N 666.209 5.683 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 196520341 GEYKFJRDKMXPMQ-YZWXGYMNSA-N 702.964 7.691 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 201841542 NOATULMQVVEPQO-HXSDOOPWSA-N 904.120 8.120 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205777675 NYIZNYDSTISMGT-IWBJQXMWSA-N 666.759 6.035 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214242189 UGIDODVOHRUFSO-JDCMOKTRSA-N 570.693 7.291 50 10 KKGE C[Si](C)(C)Oc1cc2c(cc1O[Si](C)(C)C)[C@H]1c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3OC[C@@]1(O[Si](C)(C)C)C2 230601788 CFAQAGCVXBLKID-MVSFAKPFSA-N 663.197 9.212 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1I 235927771 TXYJQAFMXWOLOS-CYBMUJFWSA-N 544.850 6.609 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Br)ccc2Br)c1 236069084 DAWKFCSVCSZGAO-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE CCc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 252592270 BEMFGFCJUYBODF-UHFFFAOYSA-N 500.280 5.499 50 10 KKGE COc1ccc(O)c(C=NNC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1 254288736 ARRWPLKZIPLUOJ-FQEVSTJZSA-N 552.660 5.378 50 10 KKGE C/C(C=NNC(=O)CNc1cccc(C)c1)=C/c1ccc(/C=C(/C)C=NNC(=O)CNc2cccc(C)c2)cc1 254492228 FWRQXFYCCMOZEG-XRSXJCIXSA-N 536.680 5.538 50 10 KKGE CCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)cc1 254700261 LWCXIRANASMNMU-UHFFFAOYSA-N 564.726 8.348 50 10 KKGE CC1(C)[C@@H](OC(=O)Nc2ccccc2)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@H]2Br 256020016 RIQXORNCRAGFJP-YQPCPPDFSA-N 588.960 6.437 50 10 KKGE Cc1ccccc1NCC(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 263631427 YOZNMWOODDJLEP-UHFFFAOYSA-N 563.221 5.441 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1cc(I)cc2c1OCC2 380243409 MVVHXCXTSHHJRO-AWEZNQCLSA-N 575.409 5.921 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2sccc2I)c(F)c1F 398514996 KBPMYCCSMWMFJF-MRVPVSSYSA-N 511.926 6.017 50 10 KKGE CCOC(C)(C)O/N=C1/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H]1C 409421683 SFTHBPKNOPSKEE-NAPYYCKZSA-N 993.479 7.734 50 10 KKGE Br[C@H]1C[C@@H](Br)[C@@H](Br)CCC[C@@H](Br)[C@H](Br)CC[C@H]1Br 585669571 JTNIFONMLVMYNH-OHUUWBQVSA-N 641.700 6.922 50 10 KKGE Clc1ccc(I)c(CC(CBr)(CBr)C2CCCCC2)c1 696836334 AOAROPBLCYTIHE-UHFFFAOYSA-N 534.501 6.844 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1C 725380533 PWYYNJSQXUDURA-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 725383801 BRWLDXPIZXNYAP-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084083934 IOVAXLKAUKEQLO-CXUHLZMHSA-N 536.640 7.534 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 1084176482 FRMJZHUQVMZOJA-RUZDIDTESA-N 516.594 5.085 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1 1084187068 WKERIMSXUNVSCA-XMMPIXPASA-N 637.312 5.995 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084238761 XZPUSPHMJLKZNQ-UHFFFAOYSA-N 569.226 6.258 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084311145 MGEUSIUPLNVLIM-UHFFFAOYSA-N 521.469 7.629 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1084449864 CAOZGGVLXYWURX-UHFFFAOYSA-N 579.122 5.140 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084640396 DWADXXRZZVDLFV-QFIPXVFZSA-N 615.149 7.061 50 10 KKGE CN(C(=O)c1ccc(Br)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015098 IRTKNJPJJHNRKP-RGSGVQHRSA-N 579.348 5.710 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1ccccc1Br)Nc1ccc(OC(F)(F)F)cc1 1614357464 ZJMFFLUGHQLCBB-FZKNQQEUSA-N 565.321 5.367 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772752025 SFQZCMSYNJCNGS-UHFFFAOYSA-N 527.577 5.389 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686068 QQOVEWFJNSIXPA-AREMUKBSSA-N 529.015 6.741 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688563 VDQVYGWBWHLETL-LJAQVGFWSA-N 555.078 6.983 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688971 GHXMRQLEDRFTQZ-LJQANCHMSA-N 515.795 5.173 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689540 BSAKGYRDXCWZRK-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865690599 WOKMMHJACPSKLE-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865690964 GBXJOFIGRVSQHJ-GDLZYMKVSA-N 569.105 7.438 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865692054 IJSDMRIESAYSIL-DEOSSOPVSA-N 551.485 6.301 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865694059 OXGBHLRKDRWDSU-MUUNZHRXSA-N 522.605 5.639 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 1865694227 WBZHMYFTOUXVGV-SFHVURJKSA-N 504.896 5.560 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865696739 JWJAKIWXIDZIJX-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697443 SMXWBIKQMHHFON-LJAQVGFWSA-N 555.078 6.386 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865701686 BTZBBXHATUYOGQ-RUZDIDTESA-N 530.459 6.910 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707054 MTPZZOZOXXGSMD-HHHXNRCGSA-N 510.041 6.333 50 10 KKGE CCC[C@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867088782 BDUFQNDIGFSHEE-MHZLTWQESA-N 524.646 5.570 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867243863 VOHCGCJORYKGJX-CJFMBICVSA-N 515.660 5.377 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(Cc3cccnc3)c3cccc(C)c3)n2)cc1 1868320846 PODVXHBLBWHOQV-UHFFFAOYSA-N 514.658 7.811 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(F)c2)n1 1868389585 YDCIURTXRYYQML-HKBQPEDESA-N 555.679 7.054 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OCC)c1OCC 1872743830 NWPXMBGZLBVAHD-COOPMVRXSA-N 512.631 7.623 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)n1 1872792678 LCRZIGVBPLIQTR-WOJGMQOQSA-N 507.398 7.409 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c1 1872792848 URUUDJLGRUVKDZ-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE O=C(N[C@H](CCSC[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893204358 DCGSZQLPLDHQFO-ZMPRRUGASA-N 504.446 5.275 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1I 1916383755 OWGSCFBLENAOMB-HNNXBMFYSA-N 567.059 5.106 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCc3ccccc3C2)c1Br 1924601489 XWKKPGZTVYBSKE-PWSUYJOCSA-N 543.944 7.277 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924604538 DFTUIKRZJZPVQS-LURJTMIESA-N 530.326 7.235 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1Br 1924611987 HYSMOVQVKPDIMJ-ZKQGETEISA-N 523.910 6.431 50 10 KKGE Clc1cc(Br)c([C@H](Br)Cc2ccccc2I)s1 1948829506 UMVRDVRBRNFBCE-MRVPVSSYSA-N 506.428 6.447 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2016553509 UUVHYWLHXNBSBS-VRSDLUSFSA-N 505.895 6.374 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2025784099 SDEGCLGFZQFCHU-UDJQAZALSA-N 619.609 7.346 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2033090483 GKQYHCJBWAOHSI-CYBMUJFWSA-N 517.906 7.082 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(F)cc2I)c1C 2082884943 ODUMFUSAAWQAAG-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23COC[C@@H]2C3)c1Br 2085494419 LSFGVVUDJRYJAR-WQAUNQLMSA-N 568.723 6.209 50 10 KKGE Cc1cscc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496780 SLMITTZOOHWYRO-GFCCVEGCSA-N 538.324 7.435 50 10 KKGE Cc1nc(C[C@H](Br)c2cc(Br)ccc2I)sc1C 2085798785 VSEYTGMOTZNDRT-NSHDSACASA-N 501.025 5.806 50 10 KKGE FC1(F)CCCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2108667910 ZLIFSGKJWQXRCR-HZGVNTEJSA-N 501.456 7.531 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1C 2141469914 CWEOZYWCDOHBST-CYBMUJFWSA-N 596.802 7.899 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)n1 2201074920 BDOWGGREUBYAEA-ZDUSSCGKSA-N 529.896 6.292 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2203705991 PUXMXWXYCPEOAA-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE CC1(C)C(C)(C)C1(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396550 YFJXFGVFHCEMPS-GFCCVEGCSA-N 552.370 8.089 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)s1 2233024316 WASICJNUOMPJBT-ZDUSSCGKSA-N 534.026 6.275 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2234057572 MNKYCKGLSVBZFD-SZNDQCEHSA-N 511.689 6.482 50 10 KKGE C[C@@H](C(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2247453753 BZFZKKCYVSOPGQ-OLLQQOEVSA-N 520.231 6.918 50 10 KKGE COc1ccc([C@H](Br)c2ccc(F)cc2I)cc1I 2269557299 UDZWPYJTKZIYMF-AWEZNQCLSA-N 546.943 5.528 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1Cl 2283558538 BRUREIOPQJXPJR-LBPRGKRZSA-N 548.294 7.120 50 10 KKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2285650634 POWCFVFUENXZFW-DFEJBLNRSA-N 560.296 7.698 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)c1 2294193326 FJGXOGJKNXGTFG-UHFFFAOYSA-N 554.384 5.823 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1sc(Br)c(C)c1Br 2295259598 YKKMXCQNLBVLQE-MRVPVSSYSA-N 513.036 7.455 50 10 KKGE CN1CC(=Cc2ccccc2Br)C2=C(C1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504858 CEKAVJKMBDFHIL-NRFANRHFSA-N 513.233 5.302 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2297579125 LLPAABWYMXLFAP-UHFFFAOYSA-N 500.451 7.155 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642645 ZIOPTNAQQBNLAA-NKZQHTEASA-N 649.788 5.330 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2c(Cl)cccc2Br)s1 2300953888 PLRLKXCRVLEQJJ-JTQLQIEISA-N 526.846 6.906 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111311 OUZKPYHYTHHBGM-XMMPIXPASA-N 549.531 5.095 50 10 KKGE Clc1ccc([C@H](Cl)c2sc(Br)cc2Br)c(I)c1 2301797368 WTOWQLLJHTVZSK-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570700 DHFNNGJPYMWUGS-UHFFFAOYSA-N 624.056 5.848 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N1CCOCC1 2314478452 MEVVMFOEJGWXOD-UHFFFAOYSA-N 508.553 5.023 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314502640 KUSFCNIWSQFYOS-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(Br)c1 2314634031 FBEMAAJDRLTZAZ-DEOSSOPVSA-N 507.771 5.939 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(I)c(Br)c1)C(=O)OC(C)(C)C 2325365722 NFKJAFAOMFAQRZ-SFHVURJKSA-N 638.122 6.021 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331260028 GJXRQJCPZXVELF-UHFFFAOYSA-N 515.432 7.658 50 10 KKGE Cc1csc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337087421 YMMFZVQQBZSPPG-JTQLQIEISA-N 511.863 7.465 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2340063057 GYABEUJHTCWKMT-CQSZACIVSA-N 579.295 7.262 50 10 KKGE COC1(C(F)(F)F)CC([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361200408 JIECNBLZKZTEBT-WHDUELSGSA-N 508.172 6.822 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)s1 2365595120 GUMCDFARSNZHPI-ZDUSSCGKSA-N 550.481 6.789 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OCC 6600392 UUUODDDILSSKIQ-QPEQYQDCSA-N 539.180 5.463 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)sc2c1CCCC2 38200305 REJHQMMTTBDVHL-FYWRMAATSA-N 503.605 6.219 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)cc1 38683905 DHVLVLUYZZZJAM-LJAQVGFWSA-N 526.589 5.876 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814604 UPBLQKPCRKDIDM-OGLMXYFKSA-N 515.353 5.455 50 10 KKGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815614 FSHHMCWOKIZDGK-FEZSWGLMSA-N 511.647 5.611 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 40851019 PYPOZASUIOSHTE-JJIBRWJFSA-N 532.080 8.111 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)ccc1C 40935208 QDMSKTJYJATBQP-XQNSMLJCSA-N 502.567 5.283 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 48573711 NEOSCZPMIWLJSC-OKCVXOCRSA-N 513.421 6.673 50 10 KKGE COc1cccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 58991982 LKIGYIZCBLIYHZ-JBASAIQMSA-N 513.667 5.474 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1 100228447 ZIUFHEIWVCRJKA-UNOMPAQXSA-N 558.803 6.468 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1 100233515 PIADNRMLWVDCEM-POBUXNOSSA-N 559.432 5.538 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1 100237829 XEWWHWXVRNFQAA-ABZYITTCSA-N 592.861 5.886 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101293456 DKYAKTFFSJBRAP-MGBGTMOVSA-N 592.623 6.806 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1c(Cl)cccc1Cl 101371018 LSYYTOJEIJHVJA-INIZCTEOSA-N 557.258 5.891 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374394 DPWZJIIQGQLXEP-WENCNXQZSA-N 542.632 5.883 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380397 BEQVKBFKEHQIHN-JGCGQSQUSA-N 564.613 6.877 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101395005 GLWBIIHIUWOZBK-AREMUKBSSA-N 545.060 7.479 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101395809 KNKPCOHITGCJNE-HKBQPEDESA-N 566.654 7.311 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)c1 101396257 CBPCEPAHJJHHOZ-MHZLTWQESA-N 565.453 7.174 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(C)ccc6c5Cl)ccc43)c2)cc1 101398182 HGTQFWFKFQDIPO-PMERELPUSA-N 593.104 8.188 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)oc2ccc(F)cc12 101398703 RWRBKVDZCBDRJE-PMERELPUSA-N 564.544 7.036 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101733225 JAYWBCJGFPFNBH-FYYPQKAQSA-N 532.553 5.855 50 10 KKGE C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)[nH]c(=O)c23)C1 102965317 LANQFBZRUUQBKO-HJHGFDQJSA-N 547.640 5.797 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 103741530 AACIZYHJMFCCMW-SCIJIFGBSA-N 538.854 6.167 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc2ccccc12 103883698 MFISHXFTHUQOKL-NLRVBDNBSA-N 582.498 6.446 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 150382940 IPIRRINABDJXML-RUPVGHTCSA-N 684.268 5.167 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 150498007 ZXCBSRXZCOFIIE-FDAWAROLSA-N 638.655 6.779 50 10 KKGE CC(C)(C)[C@@H](O[Si](C)(C)C)[C@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195808144 GDTAMHMNSCTYMM-CWTKIQHKSA-N 546.791 8.249 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776764 QFZOXLQJTNKEHM-LUJVFJMUSA-N 616.699 5.021 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232344936 YGQVOFBAAQUZIU-CQSZACIVSA-N 579.295 7.262 50 10 KKGE CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254289804 FJRJXHPSHGBPRT-UHFFFAOYSA-N 611.629 5.513 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)s3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254696789 CGGBSZTUCXJBTA-UHFFFAOYSA-N 519.696 5.853 50 10 KKGE CC(C)CC(=O)N[C@H](Oc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1)C(Cl)(Cl)Cl 254856253 WDMLWWPAUWVCTA-XMMPIXPASA-N 536.843 5.547 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC(=O)[C@@]13CC[C@@](C(Br)Br)([C@H]1Br)C3(C)C)C2 256019770 CWODUSGLWSUECA-LANKSKCPSA-N 554.161 6.418 50 10 KKGE Cc1cnc2ccc3c(nc(Nc4nc5c(OCc6ccccc6)nc(N)nc5n4[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O4)n3C)c2n1 256430773 MCJCKSMTQLIMSJ-NGDRWEMDSA-N 797.126 8.569 50 10 KKGE Fc1cc([C@H](Br)c2cc(I)ccc2Br)c(F)c(F)c1F 395613288 LBASDRUUQIVVOH-SNVBAGLBSA-N 523.887 6.094 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586199 FFXHNCNNHASXCT-BXHDOPQYSA-N 988.212 11.054 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 725418625 MHJMXJQBODJYIU-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(I)cc1 1083961022 WTNXTCGTUGYQGD-XQNSMLJCSA-N 719.361 6.129 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084028624 LJNBCNQJAXYDQB-UHFFFAOYSA-N 561.063 5.328 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(I)cc1 1084047249 VJWDALMLQVWKSH-UHFFFAOYSA-N 684.122 6.914 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1 1084136569 KLYGVKAINKPAAJ-WJOKGBTCSA-N 522.674 5.941 50 10 KKGE COc1cc(C=NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1Oc1ccccc1[N+](=O)[O-] 1084211466 KEKUXBLUQARCNS-UHFFFAOYSA-N 527.377 6.197 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1C 1084225140 SSPSUAQOUUNTCF-UHFFFAOYSA-N 577.150 5.748 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 1084243995 XIPWUGAJHIPUFB-QFIPXVFZSA-N 672.155 6.359 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 1084402112 INOKBJOKYDTJSG-QFIPXVFZSA-N 515.379 5.140 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c2ccccc2cc2ccccc12 1084545878 LNORELMSNCVZJR-HXUWFJFHSA-N 555.107 6.667 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1 1084559953 ISMTZFJHMCPHEC-UHFFFAOYSA-N 593.705 6.163 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084602070 CGPZXAABRZVHSV-UHFFFAOYSA-N 553.556 6.238 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015122 DLIMGHOHJGJUGJ-ICGFYUGKSA-N 618.456 6.601 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749249 JSWDTWXDTVKNFE-UHFFFAOYSA-N 534.827 5.714 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccccc1C 1772754448 VYRYQPMUTLLGJK-UHFFFAOYSA-N 539.470 6.306 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC 1772755290 ZGAGAEXCTCFNKT-UHFFFAOYSA-N 520.474 5.612 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865690714 ZHIHZBXYWBGGNR-IBGZPJMESA-N 533.348 6.051 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865692127 BGBASGVFBDETRN-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865692796 IIKYRKONKDPNBU-DEOSSOPVSA-N 512.997 5.877 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1c[nH]c2ccccc12 1865700009 ISAJNHLEYLPSJR-QHCPKHFHSA-N 508.379 6.001 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865701771 DWIRUVOENJXHTM-HXUWFJFHSA-N 501.940 5.668 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865705395 URLFXDBDAVYGKP-QFIPXVFZSA-N 566.923 5.990 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(OC)c1O 1865714540 MPHXLCZJGUKDRX-HSZRJFAPSA-N 514.969 5.193 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C(=O)OCCc2ccccc2)c1C 1866127408 FHEQOGRJHRSCEL-HMMYKYKNSA-N 506.555 5.318 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)c1 1866675324 CWMCWKKLIBYOPH-SANMLTNESA-N 512.591 5.271 50 10 KKGE CC(C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867133273 DWMIMZSMCWKIAR-QHCPKHFHSA-N 522.468 6.078 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872751941 IGJPBIJQKFBHBR-CQGAXIHLSA-N 519.626 6.634 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)c(OCC)c1 1872755494 QIESTBJYZJSMFK-FLFQWRMESA-N 508.640 6.785 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 1872757072 PPYPZAQJWZZRES-AKKXKAEUSA-N 503.849 7.411 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)c(Br)c2)c1Br 1922897332 MQNFYGUWFLVCOJ-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2c(c1)OCCO2 1923072647 QOJYKCLJWCCDQT-JTQLQIEISA-N 503.437 6.182 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cccc(I)c2)c1Br 1924586338 WNFBSXLGRKGXST-QMMMGPOBSA-N 615.748 7.125 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 1924602203 UGGRTZZOSCGPIH-OAHLLOKOSA-N 595.976 8.099 50 10 KKGE C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@H]1Cl)C3=O 1933223653 TUASWIIAAPWHMO-ASKHLURXSA-N 513.845 5.836 50 10 KKGE Brc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1981400947 DIYZHRZDXGDQAY-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H](Br)C1 2020166562 GTLRMHZAOCDHQV-WATHFIQWSA-N 510.915 5.860 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CC[C@H]2C3)c1Br 2025779198 DNTAZSIFHLUBJC-LVRCTXOYSA-N 552.724 6.973 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2053588929 DIMYHZDULFSWLS-DHKBYMFESA-N 641.142 11.150 50 10 KKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H](Br)C1 2076187880 HHCSIBOIJAIFPW-BYULHYEWSA-N 524.942 6.250 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2083332957 DLFMOXKVEJRDPZ-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2c(Br)cccc2Br)c1Br 2150494489 QVOUNJDMUGGPQA-JTQLQIEISA-N 557.849 7.539 50 10 KKGE Cc1ccc(C)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405435 KLUULLKIQZJRDF-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(I)c(Cl)c1 2208037187 UERFWATVYFKARS-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2sc(C)c(Br)c2C)c1 2224056409 WYEVINMBUAXXGJ-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)c(C)cc2Br)c1 2232223769 SBDAQJYMUGWYIX-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)s1 2233024310 WASICJNUOMPJBT-CYBMUJFWSA-N 534.026 6.275 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2268286766 BUWDEYCOPVIQTQ-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2272726085 JNYRCVVDJKVRHA-SECBINFHSA-N 523.795 5.470 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(Br)cc2)N(c2ccc(F)cc2)C1=O 2293198316 UDISLMQFRACYLH-HSZRJFAPSA-N 536.426 5.962 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)ccc1OCc1ccccc1 2293202219 ZHTFSJDMFJTZEQ-UHFFFAOYSA-N 584.019 7.539 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 2294764883 RPECXBYLDCYIEV-UHFFFAOYSA-N 512.613 5.980 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC[C@@H]1CCCO1 2296706094 WSQZTPDEAWEBJA-NDEPHWFRSA-N 539.035 5.974 50 10 KKGE Cc1ccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2cccc(Cl)c2)cc1 2297486423 HOFPYHMGMDPWLR-UHFFFAOYSA-N 535.113 6.042 50 10 KKGE Cc1c(C)c(C)c(CSC(Nc2ccccc2Cl)=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1C 2297565518 RSJWVMJEARFSTK-UHFFFAOYSA-N 558.069 8.620 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12 2313545711 ADIQUTYGCFEDAG-UHFFFAOYSA-N 517.629 6.073 50 10 KKGE COC(=O)COc1c(Cl)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571278 RHTRPBNBRVUBAI-UHFFFAOYSA-N 518.578 5.507 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591697 BLRCSCAIWRDZJL-XMMPIXPASA-N 552.483 6.766 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314609966 AYDMBOIYDHRZJH-UHFFFAOYSA-N 546.602 6.258 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646862 RRYXAOZFFJIKQB-NDEPHWFRSA-N 618.715 5.163 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCCC(C)C 2314790221 MRUURQVDNXVMHW-UHFFFAOYSA-N 544.604 5.564 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)ccc1OCc1ccc(C)cc1 2321697685 BFEJYZHAKWYXPS-UHFFFAOYSA-N 529.637 5.174 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 2364225680 APCINXUEYIRFIW-LURJTMIESA-N 541.785 5.609 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)cc1 35446183 XBWSXDSBBVSXQL-DIBXZPPDSA-N 502.618 6.346 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1OC 38658903 LIKHVZIHEQFAHK-AREMUKBSSA-N 500.551 5.176 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38681953 IJJBCCYYQUYTRF-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 38686748 OPBMHIJEJSNWMW-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823213 HSDCPAWCYHYZDB-XAZZYMPDSA-N 507.406 5.392 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59165947 VTWVTFMUZNWFSK-BHGWPJFGSA-N 505.270 5.131 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246433 ZMRFMZWFZPUGGD-DBTLDAOKSA-N 501.583 5.462 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101307585 CXXVKFHCJHVLEQ-VWLOTQADSA-N 545.016 6.565 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101335008 LHATXMJOSNONDY-WGOQTCKBSA-N 510.553 6.078 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Br 101336123 PVKFAYDVCPIYIW-BUVRLJJBSA-N 589.490 5.718 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101375082 LNTUCAGKTHLXDE-JGCGQSQUSA-N 548.639 7.101 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101377977 WYIQLIIPGMRFQD-GDLZYMKVSA-N 595.523 8.179 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378905 WDLANJSBRNAVHQ-JGCGQSQUSA-N 546.623 6.800 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380343 KZMJGQQWOBAWIU-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381161 IIQXIZZBTIHLHU-DKMSRDTQSA-N 569.444 7.409 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383495 GYZWSHFETUTENY-HKBQPEDESA-N 567.041 7.145 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1F 101386511 GGSWVZQPTOGLAL-PMERELPUSA-N 536.559 6.159 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 101391763 OCGKAGJFQXVDKP-HXUWFJFHSA-N 572.813 7.207 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1OC 101392619 UAUXUHDBBQHQPJ-JOCHJYFZSA-N 527.360 5.457 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101396571 JFPYXFMHFGCKJP-GDLZYMKVSA-N 557.046 7.709 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 102849593 PRZDADCHKXEAGV-FXBPSFAMSA-N 508.578 5.863 50 10 KKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 103649516 HPCCKPYKSFZMGW-STZFKDTASA-N 562.057 8.301 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 103881108 YFUMCZLYIHBRPP-HPNXWYHWSA-N 551.650 6.810 50 10 KKGE N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 105517346 JDAVNFYFLANBCU-UNOMPAQXSA-N 541.356 8.290 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150388447 YWQAHXDPGCQLQG-NSHDSACASA-N 650.176 5.540 50 10 KKGE COc1ccc(OCC(=O)N/N=C\C(C)=C/c2ccc(/C=C(C)\C=N/NC(=O)COc3ccc(OC)cc3Br)cc2)c(Br)c1 150429013 SWNAERQPBGUDJW-VBKBREBISA-N 728.438 6.397 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 150430342 GNRVQDFHAJKZSZ-ZZJXEYPFSA-N 627.306 6.540 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461177 YBCQSYIYQIHCIX-PMERELPUSA-N 643.548 8.542 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 161117809 KJODPZJLARDVDO-CQSZACIVSA-N 532.295 7.373 50 10 KKGE O=C1OC(=O)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 162053701 AFUOTUGXILLASW-QNGWXLTQSA-N 645.715 7.562 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 163407319 QCHGDHJBFZEWNM-BSAWEUQCSA-N 652.562 5.891 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 164649007 UEHUGODMAUMZKX-JEPNHJGPSA-N 690.379 8.163 50 10 KKGE CCCCC[C@@H](/C=C/[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 196387789 KRIPXJPSOSAHQY-SUZSVPDUSA-N 562.823 8.358 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)c(OC)c1 206688127 YPSGAVDUGRBZRG-ARCITDEESA-N 578.621 6.108 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214225719 KMPZAJUCHFKOTH-PKAZHMFMSA-N 522.649 6.275 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214271986 YMQLMXUIKARTKM-YSMPRRRNSA-N 508.622 5.883 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214295187 FXQKVQXKHPBGBW-ONUIUJJFSA-N 508.622 5.483 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214318645 QGFSSZAUHQZKMW-MWLSYYOVSA-N 546.627 6.268 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@@H]2CO[C@@]3(C=C[C@@H](C)[C@@H](CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]13)C2 248170922 RYABJKPQYNQPOE-BHAKNXROSA-N 548.837 6.828 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 252630244 UXTXBPOFVQRXAY-JXAXLMTHSA-N 518.820 5.094 50 10 KKGE CCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530132 HNLMHAUNUCSDSQ-KSCDKVHLSA-N 549.678 9.503 50 10 KKGE biogenic O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1ccc(-c2ccccc2)cc1 254348675 IQZJGUCGBLKHGY-UHFFFAOYSA-N 526.712 6.893 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(OC)ccc4ccccc34)nnc2-c2ccccc2)cc1 254441740 MKNPHEVHVOYLPD-UHFFFAOYSA-N 523.618 5.347 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(F)c2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254484915 SJGOTJKONPZQER-HYMXWBNZSA-N 513.550 5.028 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc3ccccc23)c1 254486058 SPLDSAZYBAVCNO-UHFFFAOYSA-N 515.569 5.401 50 10 KKGE N#C[C@H](C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc2ccccc2cc1O)c1nc2ccccc2s1 254849340 QYQHZJUZIYQAPN-XMMPIXPASA-N 592.637 6.265 50 10 KKGE CCOc1ccc(C2=C(C=NNC(=O)c3ccc([N+](=O)[O-])o3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 254877141 DXVJWFQKGUSEPC-MHZLTWQESA-N 509.518 5.938 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)n(-c2ccccc2)c(=O)n14 575417491 VTROFMPJBHQDQT-JDFHCEEMSA-N 675.987 7.387 50 10 KKGE in-vitro Brc1cc2c(c([C@H](Br)c3scc(Br)c3Br)c1)OCC2 705447026 DYKZTMVJGWCUGB-JTQLQIEISA-N 531.889 6.455 50 10 KKGE Fc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(F)cc1Br 721612263 IIGUYKPNTPFSTO-CYBMUJFWSA-N 522.352 6.423 50 10 KKGE CC(C)(C)Oc1cccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725238945 ZHVKTWQFSUPGDY-QFIPXVFZSA-N 524.992 6.896 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 725386978 PFRQHWBITTWOGU-UDWIEESQSA-N 525.830 6.934 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 725437772 APDYTCJAKKRFMQ-DJKKODMXSA-N 560.275 7.506 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725443464 YFYDSOQBIOADIZ-UHFFFAOYSA-N 573.568 7.620 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1083862936 WPEMZYVFLBNOEQ-UHFFFAOYSA-N 644.537 5.972 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1F 1083991800 IFHDOTONFVYPSI-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 1084067663 LPHBWFGRSOUOIJ-LPYMAVHISA-N 576.288 7.798 50 10 KKGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1Cl 1084079344 SHVBJQHJPVLWNB-UHFFFAOYSA-N 542.979 5.239 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1 1084109206 NXCKKAIVOVUKFL-PXLXIMEGSA-N 507.417 7.245 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 1084122012 ZQXCKZOKZYWFRK-UHFFFAOYSA-N 578.090 5.663 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084178711 ABBLKRZGOJIPMA-KGENOOAVSA-N 754.204 6.493 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c(C)c1 1084346319 OBDOTJRCTNDDHD-UHFFFAOYSA-N 607.574 5.815 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)COc4ccc(Cl)cc4Cl)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084375200 CGORPTCLBRBHHG-HNMNOHOESA-N 566.485 6.756 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 1084458259 WYVMHNVBYQBBON-YVLHZVERSA-N 512.747 6.135 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)CCCOc1ccc(CC)cc1Br 1772755379 DNGDFHGGUNLARB-UHFFFAOYSA-N 512.242 5.482 50 10 KKGE C[C@H]1O[C@H](OC(=O)c2ccccc2C#CC2CC2)C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1848440391 GFJRBZAGCNPFPB-LVMKLVANSA-N 793.165 8.630 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682156 HMTCDIJFGPCZTC-AREMUKBSSA-N 549.428 6.682 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 1865684911 ARXKJTQVCJNRBX-XMMPIXPASA-N 509.396 7.217 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687771 AEDOVNCXADRMHN-MHZLTWQESA-N 561.469 6.590 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865691696 ZCCWEPAVFVTEFX-HSZRJFAPSA-N 523.431 5.326 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865694592 ZSSFLHHGMIMSKO-KRWDZBQOSA-N 525.314 5.823 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865696819 LFROEIUQOJLOGT-MHZLTWQESA-N 524.596 6.143 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)ccc1OC(C)C 1865697528 VTJPFCMVCLKSNQ-IBGZPJMESA-N 549.347 5.668 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865702241 QHKFJCSAGURTDV-MHZLTWQESA-N 523.612 5.810 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccccc1C 1865703712 ZZSKTFKSEIXXMC-HSZRJFAPSA-N 526.559 6.062 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866916997 AKFCERGUAPKTGD-RRPNLBNLSA-N 548.709 5.420 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c1 1872755095 YHJWHICXVHOUPD-SGEDCAFJSA-N 512.631 7.222 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@@H](Br)COCc1ccccc1 1904344597 WPXDNSLGPRCJRJ-MRXNPFEDSA-N 553.076 5.466 50 10 KKGE O=C(c1ccc(Br)c(C(F)(F)F)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915749524 LUQNJNYSQPNYBG-UHFFFAOYSA-N 505.172 6.428 50 10 KKGE Cc1c(CBr)cccc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2009621431 FYGVJGYBLFSNFD-UHFFFAOYSA-N 501.490 5.213 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)sc1Br 2054161988 ONOLHCLZHMTDKG-QMMMGPOBSA-N 509.045 5.387 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2sccc2I)c(F)c1Cl 2081843130 HFZZZJGEEVJJNF-MRVPVSSYSA-N 528.381 6.531 50 10 KKGE CC(C)C(F)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500798 RMLJGZPUZFULGD-JTQLQIEISA-N 578.709 7.464 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Cl 2136695166 PZPVQVCEBLSRFF-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2I)cc1F 2142290007 XAGODHOAAUAPEY-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(I)ccc1Br 2163745857 MFVBPLMUEBVNQR-WDEREUQCSA-N 515.027 5.127 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2C)cc1I 2218796760 YLPSFTVVHVCONE-LBPRGKRZSA-N 500.037 6.525 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccsc2Br)c1 2252837435 OZMOMXLTFQOBTP-LLVKDONJSA-N 503.879 6.714 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1csc(Br)c1Br 2263514793 GPKHQUZEBGNUHB-JTQLQIEISA-N 538.324 7.321 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1 2283579998 KRXSVZOMWJLJFZ-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293198206 INQGJGJCXCAXIJ-HSZRJFAPSA-N 542.875 7.020 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295956221 HQWXMRDMJZLDSE-UHFFFAOYSA-N 588.870 7.540 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C 2296453389 SPHUIJWPZSWHEE-VORHIZRFSA-N 510.923 10.671 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CC[C@H](C)C2 2296500545 XELCPGNLGLWPDD-AWEZNQCLSA-N 539.997 6.417 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506844 HSZKRUWHQSXFJM-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Br)cc3)nc12 2296723148 GVGJUCWBFXYYCU-UHFFFAOYSA-N 556.825 5.550 50 10 KKGE CCOP(=O)(OCC)C(C#N)=C(SCn1oc2ccc(Cl)cc2c1=O)SCn1c(=O)oc2cc(Cl)ccc21 2297617077 VBHRGVWIRNWCFY-UHFFFAOYSA-N 616.441 6.850 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1 2297672162 LRAJZJHLPOBHNU-UHFFFAOYSA-N 614.485 6.455 50 10 KKGE ClC[C@@H](Br)[C@H](CCl)OCc1ccc(I)c(Br)c1 2306295804 CRRLVXJQFUYYEH-KOLCDFICSA-N 516.826 5.180 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570930 JJQPRHSHCWCZKM-UHFFFAOYSA-N 706.987 8.248 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2314476053 HWPXLJGNADIFEV-UHFFFAOYSA-N 518.038 6.710 50 10 KKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1cccc(Br)c1Br 2314491232 QMVYJIKNTTVNRU-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593713 RSVUTOVYWVVQPP-XMMPIXPASA-N 504.011 5.091 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C(C)=C(C#N)C1=O 2314610914 OHRSMJRGGSOBKW-UHFFFAOYSA-N 522.649 6.419 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314617553 COOBOILKUWWTIG-UHFFFAOYSA-N 549.030 6.384 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314618746 STHKMZXJOSBWRG-UHFFFAOYSA-N 621.137 7.179 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314620602 SIDWKMQGNHJNNW-UHFFFAOYSA-N 629.091 7.703 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Br)cc1 2314634046 FRKMTPOPWVQFPB-XMMPIXPASA-N 542.216 6.593 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1OC 2314793400 RBBUJRVSXLRWLO-UHFFFAOYSA-N 611.558 7.786 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336079387 GBNYMQWZNMBYKI-OAQYLSRUSA-N 515.072 8.128 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2340065704 MGPHPILQVCQCAL-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340069122 VRKZZRQDLGXDMJ-AWEZNQCLSA-N 534.482 7.205 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2350040171 RZPVARZAHZTHHU-KBPBESRZSA-N 502.028 5.913 50 10 KKGE Brc1cc(Br)cc(CO[C@H](CI)c2cccc(Br)c2)c1 2362236479 CNCJFWSSQZHZEI-OAHLLOKOSA-N 574.876 6.667 50 10 KKGE BrC[C@@H](OCc1cc(Br)cc(Br)c1)c1cccc(Br)c1 2362247286 IFVHZRWSNWHYEY-OAHLLOKOSA-N 527.876 6.627 50 10 KKGE Cn1nc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1Cl 2362251915 CONPPCYOVKIZMS-ZETCQYMHSA-N 530.244 6.529 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362254649 SOPBEBWQYIWMEN-SNVBAGLBSA-N 509.826 6.137 50 10 KKGE Fc1ccccc1[C@H](CI)OCc1ccc(Cl)cc1I 2365644897 JCAKPNHDFHKCBJ-HNNXBMFYSA-N 516.519 5.777 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(Br)ccc2I)c1 2366874654 FIBRQCDOISFGTI-CQSZACIVSA-N 504.420 7.273 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c(COc3cc(C)c(Cl)c(C)c3)c2)cc1 33355947 PFFNYERDDKHQAG-ZFLRQKBVSA-N 598.099 6.474 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38658293 WULDXCCOSUMMQH-XMMPIXPASA-N 503.898 5.250 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38682700 TXLPBUJXKKMTLD-VWLOTQADSA-N 519.395 6.065 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 38688728 CWLUFWAVWYCISZ-VWLOTQADSA-N 506.942 5.193 50 10 KKGE N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 59104349 QFVCEUVVWSZMTD-JJIBRWJFSA-N 516.557 6.074 50 10 KKGE CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 72399860 ZIFSFLGSUTZFCP-SHXXJKHXSA-N 592.759 5.435 50 10 KKGE in-vitro N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 97966588 JIXMRXUJMGLENG-BOJFNEGLSA-N 596.845 8.380 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2)cc1Br 100173255 BNXNHIJJPXOIAI-UHFFFAOYSA-N 558.498 5.276 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@@H]2Br 100922795 UNKNBUABHSXHNS-CDMYFEKCSA-N 566.378 6.743 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(C(C)C)cc1 101246526 CPMJODQWFJAYLB-HVCOVSINSA-N 515.610 6.023 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101334725 ZJCYXLBHJRPMGU-UXHLAJHPSA-N 542.639 6.367 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101339850 LKRPGWFWKXQJCK-RDRPBHBLSA-N 544.611 5.739 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 101340331 ZZEBGGNHCKGSPR-NHFJDJAPSA-N 530.665 6.278 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101367882 VSXRZFHEXZBCPX-XIFFEERXSA-N 560.650 6.830 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 101369052 UMIHNBBNLXLIFL-VWLOTQADSA-N 555.812 5.622 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379086 PVGHNKVYVQLLTG-JZMGTXFCSA-N 534.999 6.756 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387677 DDFWDGSMPFKKFT-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1Cl 101391694 XGKVCRULGAXSEM-XMMPIXPASA-N 527.379 6.749 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599545 CUQBIUMKBOWYLA-OVVQPSECSA-N 592.231 5.678 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@H](C)C2 102665435 LECQRYMNQNEDKK-HNDQUVLASA-N 529.445 7.162 50 10 KKGE CCC[C@@H](C)c1nc(N2CCCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 102960094 MHLKGEAWDUTUAR-FQRUVTKNSA-N 549.094 6.185 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741441 OCCIUYDZUSTTNG-FNBPXTNNSA-N 583.851 6.076 50 10 KKGE O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 103796229 BZSANKASDGNING-WYMPLXKRSA-N 525.271 5.568 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2cc(Br)ccc2o1 103880950 ZNUUAVRJILQZDM-XAZZYMPDSA-N 568.254 7.998 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150482935 UOMJSYXPGRQDIQ-NDEPHWFRSA-N 633.940 8.878 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1OC 205648820 IYGBDQWKGGCGNO-IBYGJLRWSA-N 510.590 5.838 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)cc1 205781137 CXMPBBABWXNUIB-FGGMNGQOSA-N 710.812 6.352 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214210663 RIOZJPZLHSQTGY-QRQIAZFYSA-N 532.575 5.870 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214359647 MMKUCDBHBOKOGS-DXJNIWACSA-N 572.640 6.792 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(F)c3)C2=O)cc1 214392467 KYGASFXTWQRKNZ-YSMPRRRNSA-N 548.574 5.488 50 10 KKGE CCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530135 HNLMHAUNUCSDSQ-QWGKTMRZSA-N 549.678 9.503 50 10 KKGE biogenic O=C(NN=Cc1c(Cl)cccc1Cl)c1csc(COc2ccc(C3SCCS3)cc2)n1 254451574 SWLGIBNJKYQXHW-UHFFFAOYSA-N 510.493 6.271 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 254516358 DSCAVVFKLMPPLS-UHFFFAOYSA-N 549.737 6.388 50 10 KKGE CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 254630250 RBYRHDBWVSOLNG-VBKLRMFGSA-N 597.587 5.650 50 10 KKGE Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@H](Cl)CC[C@]1(C)O)C2=O 257620229 XGGIVXWAYKZBIV-GOEBBWMCSA-N 547.903 5.493 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 310198976 AMMBUBKJUXVMOA-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 725386679 VQWIWXUCBPZMLI-MHZLTWQESA-N 571.501 6.672 50 10 KKGE O=C(CCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1cc(Cl)cc(Cl)c1O 1083904015 COIVEJLMYIXRHI-UHFFFAOYSA-N 507.296 5.749 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1083925377 CZLOBWOMVOEKRQ-UHFFFAOYSA-N 675.609 5.000 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OC3CSC3)cc2)cc1)S(=O)(=O)c1ccccc1 1084189974 XEWBUBUJDNUYAM-UHFFFAOYSA-N 606.169 6.302 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl 1084194676 JCDWYZXFBZLZGN-WOJGMQOQSA-N 593.248 7.121 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1 1084282593 OSCZUIHAYRJHRV-UHFFFAOYSA-N 513.775 6.200 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cc(Br)ccc1O 1084296819 XWOXVJJNYOYACG-UHFFFAOYSA-N 504.178 5.260 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084306562 OIMDLWNOXKWLIU-HSZRJFAPSA-N 571.755 5.047 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)cc1C 1084356110 BXVXMRAACNYRQF-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084371181 IUXYVUKXZWUBPE-UHFFFAOYSA-N 617.250 6.608 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C)c1 1084394955 JRLJQLAONVQSMO-UHFFFAOYSA-N 544.655 6.719 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2)cc1 1084428740 JGOQCUQMZGRZRJ-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE COc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1 1084504043 OXQIEFVIZGWPNH-UHFFFAOYSA-N 609.645 5.929 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084513417 LKTPWGBBCJSCJS-ZDLGFXPLSA-N 512.349 6.425 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(F)c1 1084537471 HRZJVBLTKMUECB-UHFFFAOYSA-N 531.765 6.339 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2)cc1Br 1084624506 RYUMZEPIJGYMGS-UHFFFAOYSA-N 627.536 5.658 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653250 XLFGTVSIYAAAJE-RGTWUXJMSA-N 564.538 7.420 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865686815 BOADKTOCXMJACE-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865687053 IGPBEABMGVROIX-SANMLTNESA-N 533.415 6.293 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695042 IFNNQRHCGMRGOV-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696445 MXXSZFBDKVKAFM-XMMPIXPASA-N 527.452 6.537 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865697176 ORRMLETVWWPEAE-DEOSSOPVSA-N 573.447 5.936 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865702383 UNEHYEIUGLEQEJ-QFIPXVFZSA-N 501.359 5.968 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703449 VWEKNRDAEFREKQ-MHZLTWQESA-N 511.025 6.253 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1OCc1cccc(C)c1 1865705561 ZARGJXSXOZCVDI-LJAQVGFWSA-N 575.068 7.307 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712112 PTMWTYKITQZVLK-RUZDIDTESA-N 513.395 5.740 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712247 TXWCOLQYJFBQIX-XIFFEERXSA-N 572.640 6.755 50 10 KKGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2)CC1 1866900691 FCTNAKDPOFQPFS-MHZLTWQESA-N 555.704 5.064 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1OC 1868364954 JEUSYTJNOWFFHK-ILBGXUMGSA-N 539.661 6.180 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)sc1C 1868545325 VSELWPDVXCCVNY-UHFFFAOYSA-N 554.789 8.215 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c1 1872791881 WSPBVVAALANJQN-XQNSMLJCSA-N 504.611 7.624 50 10 KKGE Clc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924593050 BQFZTBBIQYWWKL-VIFPVBQESA-N 558.742 7.780 50 10 KKGE COc1cc(Cl)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924599222 DNJMGVWJFSEPOG-SECBINFHSA-N 554.323 7.182 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613544 JRVXOMBRUBAXGU-BCDAVFBBSA-N 521.938 7.154 50 10 KKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2008185017 ACNCJEBJXSRGGJ-KQJWSSGTSA-N 517.853 6.763 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012739 IROZDSOIJMGVCC-BFYZWSERSA-N 812.941 15.172 50 10 KKGE N#CC(=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053614397 PKNHAUJQHSSNRQ-UHFFFAOYSA-N 517.511 5.740 50 10 KKGE Cc1cc(C(=O)C(C#N)=Cc2cc(C)n(-c3ccccc3F)c2C)c(C)n1-c1cccc(C(F)(F)F)c1 2053622975 YCFBOIKLOYGYSI-UHFFFAOYSA-N 505.515 7.449 50 10 KKGE COc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1Br 2072063852 VZERWCLDRQQJEC-LLVKDONJSA-N 519.878 6.529 50 10 KKGE C[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493295 AHGBHKQAHLHJAN-JFWOZONXSA-N 570.739 6.598 50 10 KKGE CC(C)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496940 YTPSIWMRLZWLHB-MREMCGJQSA-N 524.316 7.309 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@@H]2C1 2141468763 NIWXDYXGLFDDTN-VRRBYHOISA-N 536.327 7.453 50 10 KKGE COCCOc1ccc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2156305241 HRZHZJXPMDIWLO-NRFANRHFSA-N 512.263 6.599 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)cc3c2OCCC3)cc1Br 2172561423 ZWOOLUQVVNFJGU-GFCCVEGCSA-N 501.465 6.736 50 10 KKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1ccc(I)c(Br)c1 2199556835 LKCZEKKHUZATNB-HNNXBMFYSA-N 515.027 5.079 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206395515 ORNSZSGDMLTAEW-LLVKDONJSA-N 720.511 8.746 50 10 KKGE CCC12COC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206398169 ROJAANDGDKLMLK-HSBZDZAISA-N 552.326 6.976 50 10 KKGE Cl[C@H](CC1CCCCCC1)c1c(Br)c(Br)cc(Br)c1Br 2206405347 JCZLRXDHGNGUAK-GFCCVEGCSA-N 552.370 8.377 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 2225615810 LRVHWPNPQLPDHZ-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1Cl 2232514669 VLXLSSSYRXQUNB-LURJTMIESA-N 546.699 7.043 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235614457 IERXEMNQEJDSEU-CYBMUJFWSA-N 529.896 6.292 50 10 KKGE FC1CC(CBr)(COc2c(Br)cc(Br)cc2Br)C1 2254450134 PKEMLOCEHRQRBU-UHFFFAOYSA-N 509.833 5.866 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283568685 PXJBGZMEVNRQQY-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818739 QLSYJKBJUYGQTE-AYOROKGFSA-N 827.244 14.626 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2295482995 OQSLFCCOZNQCHP-UHFFFAOYSA-N 632.456 5.871 50 10 KKGE CCN1CC(=Cc2ccc(Br)cc2)C2=C(C1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2295976548 OOSZTDJGFNVZTJ-QFIPXVFZSA-N 527.260 5.692 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1Br 2297491170 MSCLWTSHPFEKBO-UHFFFAOYSA-N 546.646 6.990 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1 2313571350 UBFVFBPBRUVJBD-UHFFFAOYSA-N 582.281 8.042 50 10 KKGE N#CC(=Cc1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313624618 YJNKCPACEOEYQX-UHFFFAOYSA-N 525.472 5.091 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314490944 MGAYPNHLLAIATP-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617001 OSSBEQCRTVVZBD-UHFFFAOYSA-N 591.447 6.492 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314617396 XOBRRYMALPCVNM-UHFFFAOYSA-N 541.051 6.516 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314640759 WDIPMZJXSVVUPB-LJAQVGFWSA-N 515.009 6.746 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 2331299331 VGXYFRPRVLMVBQ-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2331432514 CSWWKKDOPCZIDR-UHFFFAOYSA-N 514.401 6.732 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1 2331471765 FLKXWHADXJWVQH-UHFFFAOYSA-N 516.066 7.571 50 10 KKGE CS(=O)(=O)c1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336047115 JNYQYRUWSBEFOJ-LJQANCHMSA-N 516.276 5.977 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220863 QUKRGUPXOJNMAA-NSHDSACASA-N 554.248 7.390 50 10 KKGE Clc1ccc([C@@H](CI)OCc2cc(I)ccc2Br)cc1 2367599232 BTLFCVYCOGBUCR-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE Brc1cc(C[C@H]2CCCCCCCC[C@H]2Br)ccc1I 2377289466 CZMAIOPNBUSWCG-HUUCEWRRSA-N 514.083 7.110 50 10 KKGE Fc1cccc(C[C@H](CBr)Cc2ccc(I)c(Br)c2)c1 2377351241 AZRVDIJTKHQYSS-ZDUSSCGKSA-N 511.998 5.989 50 10 KKGE Brc1cc(I)cnc1N1CC[C@H](C2CCC(Br)CC2)C1 2381257312 CFMOVJJLNIGULG-CXQJBGSLSA-N 514.043 5.229 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650867 FTVTWOLITAXXTA-AFJIDDCJSA-N 512.606 6.019 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccccc5)ccc43)c2)cc1 38686669 ISMZBCMRLYRYKP-HKBQPEDESA-N 502.570 5.940 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2ccccc2c1 58892303 LKFFYNWTRALLBD-PPRQNECJSA-N 522.645 6.510 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100186694 RWSVODJGAHVTSL-CQSZACIVSA-N 591.355 5.818 50 10 KKGE CCCCCCCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 100997143 HCWIIJXPHCWNBS-OSIOQHOLSA-N 535.710 5.384 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240969 LLSJHNJDMIOUQT-SCHJHDHGSA-N 516.066 6.206 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 101245836 TUXKSZALSMPDQA-RAMZYJDASA-N 536.484 6.984 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101336015 MIQWDQFMYGGBNF-TWKHWXDSSA-N 590.655 6.276 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101340544 IPCMVZQAKOHIAU-BIZUNTBRSA-N 612.636 7.189 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(Cl)cc1Cl 101364855 VPESFGFQFNOTAR-OAQYLSRUSA-N 516.178 6.193 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101366942 XHPZIBNLSFPSCX-AREMUKBSSA-N 541.387 5.603 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 101368596 GRWUHFKZMPPUFX-AWQUAADZSA-N 553.398 5.856 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 101373848 YNPVRYIIALRZRJ-GDLZYMKVSA-N 549.023 6.120 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCC(C)C 101374322 KZACBLSZQYUXMT-JMQGSBJISA-N 532.568 5.460 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381674 KCMPQKLLURRKSR-WJOKGBTCSA-N 532.596 6.492 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc(C)c1Cl 101381747 RIOXZVVYCPLLKB-HKBQPEDESA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384443 CXCQLLBJPHFAAO-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101392036 CCBVPRPUPRTQEH-NRFANRHFSA-N 562.261 7.952 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1OC 101392590 OYDVOZPNRFMHOF-QFIPXVFZSA-N 553.423 6.663 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCC(C)C 101395462 RWXLNYZEAVTHCQ-MHZLTWQESA-N 575.086 7.344 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 101609903 ONUWSQNXCYLZLK-INKHBPHZSA-N 536.584 5.583 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612163 TWXQZADTAXELLH-KCSSXMTESA-N 554.352 6.402 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1O 101713183 HAXLZNFKCPNZCT-LGJNPRDNSA-N 548.231 5.512 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 101766633 DJQYLCODIGXGEI-FJEPWZHXSA-N 580.306 6.961 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741489 KZLFMZZYLMZXGN-SCIJIFGBSA-N 573.299 6.821 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N/NC(=O)CSc3nc4ccccc4o3)c3cc(Br)ccc32)C1 104741567 KDBOCECLKIZFHX-HCKMRKOQSA-N 596.551 5.408 50 10 KKGE CC1(C)[C@]2(C(=O)OCCOC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400812 PRVBWRYHGHBBBN-FLJFTEDJSA-N 835.886 7.444 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430684 CEKFOMSMOJHAGW-WJOKGBTCSA-N 657.575 8.932 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463060 IGJILVKKZIRYGV-HKBQPEDESA-N 641.463 7.125 50 10 KKGE Brc1cccc2c([C@H](Br)c3cccc(I)c3)csc12 163391253 DLJLORIPCAYABG-CQSZACIVSA-N 508.016 6.753 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 164644254 XZLRCNZNAJDAIG-CHSHITCJSA-N 724.426 9.106 50 10 KKGE C[C@H]1O[C@@H](OC(=O)c2ccccc2C#CC2CC2)C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 199908375 GFJRBZAGCNPFPB-HOSQNAAGSA-N 793.165 8.630 50 10 KKGE in-vitro Cc1cc(I)ccc1N/C=C(/C#N)C(=O)Nc1ccccc1Sc1ccccc1 217243524 RYYBQLZNNNMAGK-ICFOKQHNSA-N 511.388 6.209 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]3CC[C@]12C)n1c(=O)c2ccccc2c(=O)n14 253497431 CFLHTDQMABEIIR-FHJVOMMTSA-N 602.892 6.995 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC[C@@H](Br)[C@H](Br)[C@]4(C)[C@@H]3CC[C@@]12C 254387015 ZUDMAHKBJVVHNY-YCWXJVGVSA-N 530.473 9.245 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 254432788 UCLVNMUFPODWOK-UHFFFAOYSA-N 530.580 6.264 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)c(OC)c1 254482225 HIDPEQSMYRGVEK-UHFFFAOYSA-N 508.574 5.634 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 254716344 ZIOPTNAQQBNLAA-QWJGCUAFSA-N 649.788 5.330 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)([C@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 256019860 IVEDHRPRGPGAKM-KBMPSKKFSA-N 670.530 9.027 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 575627103 MDCOYASBAZJWKP-GWQFZTHGSA-N 935.155 9.826 50 10 KKGE in-vitro CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(F)c1I 721699420 WDXFYQOWIZEYMI-AWEZNQCLSA-N 513.970 6.076 50 10 KKGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240345 ZUTUXWMYGVBMNN-WMOIDQOMSA-N 519.849 5.524 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 725380202 JNKGGTYZMDONTA-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084021413 CIEKKGILRFXVGV-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1 1084093585 SFKZEOVWXOUWJN-RUZDIDTESA-N 698.339 6.146 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2cc(Br)ccc2o1 1084123473 MVZRKDZYNLTEJU-UHFFFAOYSA-N 522.580 6.635 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1084249491 DPVVDNSRMDNANZ-FGZHOGPDSA-N 607.758 6.846 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084264575 BWVXKYPZAAHISB-UHFFFAOYSA-N 581.514 5.561 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1084472143 ZRNLNPMWWSIIOR-NDEPHWFRSA-N 561.635 5.664 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1C 1084635549 WPJYWWBUAODWJG-UHFFFAOYSA-N 597.568 6.748 50 10 KKGE CCN(CC)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 1084647783 XPCWMNABGLSYRN-UHFFFAOYSA-N 507.432 6.213 50 10 KKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@]32C)[C@]1(C)CCC(=O)O 1534688733 FQGZRIVWYITDFN-NEVWBHPTSA-N 680.876 5.263 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743484 CNZVOZKCTWVCRP-UHFFFAOYSA-N 557.448 6.304 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744008 OGNBEHYGRBEYSM-UHFFFAOYSA-N 568.427 6.579 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc(C)c1Cl 1772747544 CYSLMVQCRSWGED-UHFFFAOYSA-N 541.047 7.066 50 10 KKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865684114 UAHOXUWAHYYCMZ-HSZRJFAPSA-N 512.411 5.586 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685874 NZMBJXNILFNFRH-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865687885 CLEKEZVVOIRMCM-MHZLTWQESA-N 574.603 6.763 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687968 FDLNGQOTCZLWDJ-FQEVSTJZSA-N 529.822 5.563 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865688687 YJMRQJYXDUPVBT-YTTGMZPUSA-N 568.677 7.103 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689222 MXJZXFJIALDRNN-HSZRJFAPSA-N 577.410 5.441 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865695900 VIOIXHBHCCRMJU-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696662 PWBLYENHNHEKPT-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 1865703531 AMIJJQSBMXMXIR-MHZLTWQESA-N 565.432 6.492 50 10 KKGE CC[C@@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867195955 JFZCRWLNYATGLX-LJQANCHMSA-N 513.417 5.062 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H](C(=O)CCCc3ccccc3)C2)n1 1868253930 YPZBHTKPUBQYHD-HSZRJFAPSA-N 515.683 5.791 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@H](c4ccccc4)Cc4ccccc43)nc(-c3ccccc3)n2)cc1 1868365175 NAWUCXNKJIJHIX-AREMUKBSSA-N 511.654 7.938 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415584 ZNGVNJISRJCCQR-VWLOTQADSA-N 531.016 5.930 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868457071 YRCBIFFMBONMLB-RUZDIDTESA-N 540.599 5.685 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Br)cc4)C3)nc(-c3cccnc3)n2)cc1 1868564517 CDOFDVPSDXEUMS-QHCPKHFHSA-N 545.466 6.196 50 10 KKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 1872746374 FFZRBIGKPFBQPK-VZCXRCSSSA-N 508.397 5.774 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872756079 QZPZNCVJLJDXOT-JZBNPYPUSA-N 503.649 5.946 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccsc1Br 1899853509 UVKITPVGFNRABH-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922943956 WWOJAMPHTAICHL-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1Cl 1924569950 CDMDUKKMXBIHCU-VKHMYHEASA-N 562.734 6.560 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924613889 LKMHIRGTPBSSQB-LURJTMIESA-N 535.843 7.204 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2037838757 HAYVDHBKYABBBI-DGJRDAPYSA-N 645.174 11.764 50 10 KKGE COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C(Nc1ccccc1C)SCC(=O)NCc1ccccc1 2053622987 YQMLNHQFOFQGAJ-UHFFFAOYSA-N 535.069 5.801 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2sccc2Br)c1Br 2081069455 AEPTYXCBSIQBOV-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Fc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2083332793 CVJWIMJKMCLVDD-LBPRGKRZSA-N 501.813 6.598 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083334302 MLYYBXCNSWRTQO-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE F[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494213 KNPSUCPOGJJVMX-MQNJHXBQSA-N 528.279 7.155 50 10 KKGE ClCc1nc(Oc2c(I)cc(Cl)cc2I)ncc1Br 2089802072 FBBDTTRGFBPYII-UHFFFAOYSA-N 585.792 5.633 50 10 KKGE CO[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284657 COZPKMWJQWILGD-JVZYCSMKSA-N 541.925 5.912 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2138848242 FNTIPXCCPOEGKF-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE O=S1(=O)CCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469301 UNHRQJPFMNITIP-CPCISQLKSA-N 560.327 5.594 50 10 KKGE Clc1ccccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469581 BFOWGLKWZQVZBP-NSHDSACASA-N 597.164 7.874 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2COCCOC2)c1Br 2141474671 DCPPYKZGJWVVKO-JTQLQIEISA-N 586.738 5.836 50 10 KKGE Oc1nc2cc([C@H](Br)c3csc(Br)c3Br)c(Br)cc2[nH]1 2150344041 BBJVIXOMQWMYRB-VIFPVBQESA-N 545.876 6.102 50 10 KKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1cc(Br)ccc1I 2150545335 MFVGAVKHDDPQDA-OAHLLOKOSA-N 515.027 5.127 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 2165531614 ORXVHRASMPUFCS-ZWKOPEQDSA-N 585.445 5.505 50 10 KKGE CCCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2206398273 SQFOLOLUYXYGCI-CYVIZDSUSA-N 597.809 6.951 50 10 KKGE CCCC[C@@H](C)CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2207146424 YAEQDMPHIYKYNI-ZJUUUORDSA-N 598.837 8.779 50 10 KKGE CC(C)CN1C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222447047 CFAYIBYNIHZTNM-YUMQZZPRSA-N 524.942 5.854 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)c(C)c1Cl 2232512823 ORKFNJHRMDVWFO-CQSZACIVSA-N 593.322 7.571 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 2234055609 CONXETDTTVPDJI-OFQRWUPVSA-N 511.689 6.697 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1Br 2235609942 PAQHIIWWSRXKPS-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE ClCc1nc2c(Br)cccc2n1-c1ccc(Br)cc1I 2240288689 FXASMVACUAYHMS-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1I 2272729821 SHKGHEGEYUJNSD-NSHDSACASA-N 566.803 6.579 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)c2c(c1)CCCO2 2279288977 YSHVAXMYIZXVLA-LLVKDONJSA-N 501.465 6.736 50 10 KKGE Cc1cc(F)c(CCl)c(Oc2c(I)cc(Cl)cc2I)c1 2283542965 JOLNBJURQAINKE-UHFFFAOYSA-N 536.937 6.528 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1I 2283572913 GJYNSXUYBBXUJL-CQSZACIVSA-N 530.958 5.812 50 10 KKGE Clc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299530204 JYJNEVDPJHHSHN-QGZVFWFLSA-N 551.525 7.990 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1 2313630280 DBVISAFJLPAFGI-UHFFFAOYSA-N 504.011 6.285 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 2314482688 RTNBLBCWVLZNBA-UHFFFAOYSA-N 536.531 7.416 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571956 PJAJVEJUCNCCOA-UHFFFAOYSA-N 529.234 7.292 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592378 SBJBAZXDWXOQCR-NDEPHWFRSA-N 541.673 6.282 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593993 XDQASMFEGHELBR-DWACAAAGSA-N 509.675 6.422 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314611289 SHZGEGAHJLVWQL-JOCHJYFZSA-N 577.084 7.162 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 2314620052 JUXGGCXTASTVGG-UHFFFAOYSA-N 564.592 6.399 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2occc2Br)c1Br 2315439178 ARVNPSUFEITZRA-VIFPVBQESA-N 526.219 6.844 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 2331331623 WSYHROYTEHRKKQ-UHFFFAOYSA-N 520.614 6.249 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1OC 2331340447 DYVFQGNHIGPBLE-QFIPXVFZSA-N 517.651 5.835 50 10 KKGE CC(=CC[C@H](O)C(C)=Cc1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 2333151876 IDHLZOWJDYQQSB-WBCDVVQUSA-N 738.237 10.845 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336083406 JXBRINPWPNBXBG-NRFANRHFSA-N 515.072 8.081 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCCCC[C@@H]1I 2341837243 JZBGBCDNBXRMIE-LSDHHAIUSA-N 549.028 6.097 50 10 KKGE Fc1cc(Br)cc(OCc2ccc(I)c(Br)c2)c1CCl 2377641562 HPEAOSWXJMPVNT-UHFFFAOYSA-N 534.388 6.273 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 14029125 OORKYNUFMDEOIY-OAHLLOKOSA-N 512.459 5.056 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl 35447310 DAEWODPEWWLTPI-IWIPYMOSSA-N 504.011 6.238 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 38604083 VVBZOJJCVYHTQF-KOEQRZSOSA-N 504.590 6.458 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685455 LMAHGYUMZLLZDJ-WHLCRQNOSA-N 516.569 5.986 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 40912106 IQLKOCHCNWYZJV-VUTHCHCSSA-N 509.444 6.604 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 58891638 LCGLEKJYYAVLIE-WRIMGEDOSA-N 525.443 5.699 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12 96401935 MDKJAWDBTXFBIQ-PGMHBOJBSA-N 507.502 5.912 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2cccs2)C(=O)CCl)ccc1OC(C)C 97914785 IOTSOACGUKBXPY-NOKYJCPASA-N 507.096 5.548 50 10 KKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 97984564 WZATVMBWFDNRRP-VDKGLGBYSA-N 524.499 5.466 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 100226539 UNQBIKPLAGDUBS-XZJBEKIMSA-N 592.861 5.886 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100335841 HNIAVAJKTGOBAF-RQZCQDPDSA-N 579.221 6.731 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844227 ZMJIEYVMTVLJAJ-NSUARQORSA-N 539.872 5.281 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 101012396 MNOBRWVWKWVDSQ-YKQZZPSBSA-N 586.500 7.763 50 10 KKGE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 101035519 HYSBXERJSDBPQM-QNGOZBTKSA-N 595.212 6.397 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@H](CC)C2 101193888 LQUJXMUKJUYITQ-DLEKYWELSA-N 554.024 6.807 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 101246618 SRWPXFKQUVYMGV-KHEHCGDESA-N 541.673 6.111 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101368379 PAIRFYZHKUNVKE-SSEXGKCCSA-N 577.077 6.593 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101375317 UTHQRDYDRKEDPI-HKBQPEDESA-N 587.629 6.155 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382182 UKWCLKTWFFCNQH-MGBGTMOVSA-N 560.650 7.190 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384681 GHWDXIUDFQFFHF-MREIFWHISA-N 583.471 7.718 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101386607 OGQGEMIJCFDUBP-HKBQPEDESA-N 597.555 5.524 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388475 BAAGZHZMLCWDKB-MJXKIBSNSA-N 613.497 7.808 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101392573 LHNZSBNZPVKSNR-RUZDIDTESA-N 561.388 5.958 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101393596 KYZMBLRAEGIWFW-JOCHJYFZSA-N 576.230 6.210 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2c1 101397994 LZYDGUQIQPPZGG-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 101405814 HIYQFLTYJLUGJH-RBAUZFLXSA-N 602.716 5.381 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Cl)cc3)CCC4)ccc21 101594372 HYJHCWMTKFEFDJ-JGRMKTMXSA-N 539.035 7.092 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 101766753 LWLQBXJQBQNZTG-TWKHWXDSSA-N 547.534 7.024 50 10 KKGE CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(NC(=O)c4ccc(Br)o4)c3)c3cccc(Cl)c3n2)cc1 102336334 XZIYMGFAMQDBAT-IZYHBKOJSA-N 615.915 7.879 50 10 KKGE COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 102934296 BQOQLHZYUMVLBE-PTNGSMBKSA-N 508.353 5.442 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1OC 102935624 TYYMXIBVOUJIDF-QNGOZBTKSA-N 534.634 6.334 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 104951907 MDHROUIFVFPKMD-WQRHYEAKSA-N 552.881 7.039 50 10 KKGE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](OC(=O)c3ccco3)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CCl 137668951 MJDGUHJEIVTMQZ-HCQKSICUSA-N 615.506 6.327 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(C)cc1 150428747 JWSMEKOJKJBZEG-HHHXNRCGSA-N 652.572 6.871 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 150429002 IPEAHQJMYBAUJF-ZZJXEYPFSA-N 716.208 6.758 50 10 KKGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 150446520 FGWZRKJXIPGLTI-WXKOKIAESA-N 660.816 5.171 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150479403 SWFCMCASSRFHPI-XMMPIXPASA-N 711.212 9.389 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481964 JTEXYIKQHBJDGR-XIFFEERXSA-N 645.539 8.197 50 10 KKGE CCCOc1c(I)cc(I)cc1/C=C(/C#N)c1nn(-c2ccccc2)c(N)c1C#N 158083019 JQPSZIGMYLCZPV-DHDCSXOGSA-N 621.220 5.388 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N 164638628 KIEOMCODYLVBTC-NNLKUIAGSA-N 633.546 7.829 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 207824706 RALYOFHHSKCHRY-FDCSWADTSA-N 662.852 7.227 50 10 KKGE COc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214390666 GJYZIAZXVGYGIJ-MSXFZWOLSA-N 522.557 5.104 50 10 KKGE C[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(O[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](C)F 226125791 AZXRCMUKALOQHX-YUMQZZPRSA-N 626.471 8.290 50 10 KKGE Clc1cccc(Cl)c1COc1c(Br)cc(CBr)cc1Br 236037309 ZNVQWPKXQZBVTO-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1 252597538 CSHIHBBBWFFRMD-RFNQUALDSA-N 532.431 5.529 50 10 KKGE Cc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3cccc(Br)c3)n2-c2ccccc2)cc1 252613977 JGEBUGFCACDZSG-LJQANCHMSA-N 549.498 5.581 50 10 KKGE CCC(=NNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 252625317 QHLPCGVGWSWPKW-UHFFFAOYSA-N 584.016 5.502 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(-c2ccccc2)cc1 254317399 LDTCMNNYAPMZPW-UHFFFAOYSA-N 564.736 6.626 50 10 KKGE CCCCCCCCCOc1ccc(C(C)=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2)cc1 254835417 JIIVHJNHZRTEBQ-UHFFFAOYSA-N 550.725 6.353 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCCc1ccccc1 254846891 QBMMSDQUGGASAF-UHFFFAOYSA-N 552.656 5.214 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 263630625 RAJNFCUXESHPKZ-UHFFFAOYSA-N 616.843 9.788 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1cc2c(cc1Br)OCC2 308421943 YFQBRPSHMTVIFP-OAHLLOKOSA-N 572.860 6.235 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 405089734 PLEYDHKAYWBPQW-JTQLQIEISA-N 524.838 7.698 50 10 KKGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 575229186 VLGQRMASAAPPOT-ISRHKJOZSA-N 889.042 8.459 50 10 KKGE in-vitro CCCCCc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(CCCCCN)cc(P(c3ccccc3)c3ccccc3)c1O2 642813884 CAPTUDVWRIXILR-UHFFFAOYSA-N 733.917 10.039 50 10 KKGE Oc1nc2cc([C@H](Br)c3scc(Br)c3Br)c(Br)cc2[nH]1 705467902 XWJYQNAJZBFPEB-VIFPVBQESA-N 545.876 6.102 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)OCCC(=O)OCC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069186 JYUVYDXFZCBMDX-IJFXHUIUSA-N 661.129 10.545 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)[C@H](O)c1ccccc1 1083933989 IUXZTFYAXUTQET-SSEXGKCCSA-N 559.651 5.939 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084277137 RGTWPWQSUXXNMU-UHFFFAOYSA-N 575.255 6.401 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 1084412430 GKWYAWANXHAHPD-DEOSSOPVSA-N 546.407 5.843 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 1084636224 YBFWDZQVVIDDCY-XMMPIXPASA-N 519.400 6.074 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3cc(Cl)c(Cl)cc3nc12 1772721779 SHRKUBGQSWSJGA-JBQIUVLCSA-N 579.366 7.386 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743474 CFILSKVPMRDKNR-UHFFFAOYSA-N 568.427 6.579 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749555 MYFPUJVNAISSFF-UHFFFAOYSA-N 573.452 5.232 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772754430 VOHQGRWQNVQFDW-UHFFFAOYSA-N 515.437 6.542 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C)cc1 1772755062 KCUYHTXWHLPVDE-UHFFFAOYSA-N 503.649 5.949 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCCc1ccccc1 1865687865 BYROVIFXOOAGEF-NDEPHWFRSA-N 520.633 6.054 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Br)c1O 1865687990 GFPXPLMNHWEQIR-KRWDZBQOSA-N 535.320 5.285 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865689714 CUFRIJJNOLJXJG-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689746 DQXPAOWWIBMZDX-GDLZYMKVSA-N 528.587 6.535 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(Cl)c(Cl)c3)cc2)cc1 1865694080 UBVXUFQXMFSENH-SANMLTNESA-N 517.416 6.593 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865696179 XYIJDBBNWXEQTP-MUUNZHRXSA-N 514.585 6.318 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696190 YBYDACQEDOCLJF-GDLZYMKVSA-N 520.633 5.998 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1O 1865696474 NOXIJJCUUOKHPA-JOCHJYFZSA-N 563.839 5.947 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865696600 IKCWMSZHNUFORV-NRFANRHFSA-N 547.812 5.420 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700838 FOAWKTSKKBZYLE-NRFANRHFSA-N 558.347 6.390 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701155 NPIAGBSUSRCZCJ-SANMLTNESA-N 512.997 5.894 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701292 ROCMKOGXCPFPJS-AREMUKBSSA-N 528.012 5.679 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712115 PUABIXYJNIUAHB-SANMLTNESA-N 531.443 6.929 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866678240 OTCIRPJXFIEKMZ-HHHXNRCGSA-N 572.712 5.831 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1OCCC 1872818132 OAQOJQPZRZQNHE-GNVQSUKOSA-N 512.631 8.130 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1cc(I)ccc1Br 1902317044 VTADPTBINKJYNR-INIZCTEOSA-N 563.068 5.249 50 10 KKGE Cc1ccc(C)c(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596300 MQMVGDJBWWNUGT-SNVBAGLBSA-N 531.933 7.331 50 10 KKGE Cl[C@H](c1csnc1Br)c1c(Br)sc(Br)c1Br 1925271160 PLKXPPOGEPMGJX-RXMQYKEDSA-N 531.314 6.583 50 10 KKGE CC1(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025780374 RTHIBKPEEYDFJG-QMMMGPOBSA-N 510.289 7.207 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC23CCCCC3)c1Br 2039006731 SGRRATIHECNKPO-IONNQARKSA-N 521.938 7.442 50 10 KKGE BrCc1c(Br)cccc1OCc1cccc(Br)c1Br 2092333310 PEZUVABMCXFBKT-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)sc2Br)c1Br 2136372857 WJELCMAYVSPFLO-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Cl)ccc2I)c1Br 2138864547 ONKWSHJIGIJJLK-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE COc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141470442 HCWHYAHOEVMZPD-GFCCVEGCSA-N 598.774 7.291 50 10 KKGE C[C@H]1Cc2cc([C@@H](Cl)c3scc(Br)c3Br)cc(Br)c2O1 2146624200 YSENLSAILJKZFT-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 2202999878 HIXYHXGEZPKBHL-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(Br)cc3I)ccc2O1 2207273065 REQJIQWXRBFMKN-JDNHERCYSA-N 507.991 5.861 50 10 KKGE Brc1sc(C[C@H](Br)c2ccccn2)c(Br)c1Br 2216393425 LDXQGJVKUMZVCC-LURJTMIESA-N 504.867 6.109 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2ccc(Br)cc2Br)c1 2224052141 BPDAYJSLTKPPLA-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1Cl 2232514652 WEOLKHWQYUDIND-VIFPVBQESA-N 502.248 6.887 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1Br 2235609941 PAQHIIWWSRXKPS-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2296545355 KAYHUFSEOKUVJC-UHFFFAOYSA-N 574.641 5.128 50 10 KKGE CC1(C)COC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2299622657 WBZAEBKBTMZDEG-CAHLUQPWSA-N 511.899 6.144 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1I 2300949219 JBRVLTULHLELRN-NSHDSACASA-N 553.428 6.403 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1sc(Cl)cc1I 2300954252 VFYJPGFPSOFUBX-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1sc(Cl)cc1I 2301118584 CMHJPPQQNLFOEK-ZCFIWIBFSA-N 530.838 5.593 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571499 XTVKQZNPGPZRJF-UHFFFAOYSA-N 599.081 7.782 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1 2313631925 ZFUSAZRXXQGHSM-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314439815 KFTWZCFHGOPVOI-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314610017 CBJROXFWFIUXAN-UHFFFAOYSA-N 514.585 5.730 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618308 LBPRXVIDFOVPIH-QHCPKHFHSA-N 528.612 6.210 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314737508 QBAPIYNSHDUVNC-UHFFFAOYSA-N 574.858 7.827 50 10 KKGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 2314772706 ONEKBRASSAJNKK-UHFFFAOYSA-N 559.457 5.015 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C)c1-c1ccc(Br)cc1 2314793298 QONSBHQXFXCFNL-UHFFFAOYSA-N 511.397 5.827 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2sccc2Br)c1Br 2315448461 AMTMWOXESOPKDD-VIFPVBQESA-N 542.287 7.312 50 10 KKGE CC12CC(C1)[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927221 FKUWVCQLZKQWIE-CTJZZNSLSA-N 523.910 6.287 50 10 KKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(C)c1Cl 2331260464 LKIKQUAEZNXXHQ-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 2331392977 BEVNKISULVGEKQ-UHFFFAOYSA-N 513.062 8.474 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2331429742 YFINXDAEICMUTI-UHFFFAOYSA-N 519.667 6.227 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(I)c1 2338757790 MQJXIISHJOCZNB-JUTUQKRISA-N 500.012 5.775 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cccc(Cl)c2Br)c1Br 2362224351 OCPHSLOQFKBVCV-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2362444193 JRFCOTZXUDAKLN-GFCCVEGCSA-N 529.896 6.117 50 10 KKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(C1)CC21CCC1 2377336568 CTNWQPDPDGEROX-UHFFFAOYSA-N 510.051 6.332 50 10 KKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 10683638 QBRXJBNJBYBCEH-JIPXPUAJSA-N 529.681 6.369 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14040261 AKZHGKGVAZRHDQ-FQEVSTJZSA-N 501.627 5.588 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 33387152 MDQBNXPUSWIPAK-COEJQBHMSA-N 517.610 6.457 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 33794337 NCUUICNQJZESET-WQRHYEAKSA-N 512.349 6.425 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 38686508 AROCJSTYIKZDFS-GDLZYMKVSA-N 504.542 5.712 50 10 KKGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1 40709621 QJPREYOURHNNDE-UHFFFAOYSA-N 523.424 5.095 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5Cl)c(C)c43)coc2c1C 40826722 TXIWGBWUYHEYKW-DFKUXCBWSA-N 503.986 6.256 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2C)o1 58833319 QPBFESXQZMKIBM-FOWTUZBSSA-N 514.217 6.888 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 100049188 ZLDIOZUYKFZQIH-JCBMQHCESA-N 596.298 6.135 50 10 KKGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100062937 NZDOIKHZZPQHAM-UHFFFAOYSA-N 538.442 5.147 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Br)cc1 100336299 MSSBKUNXEDWBLI-JAIQZWGSSA-N 570.281 6.962 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C1 101014203 FEWNGVNCCGVVKT-OBNKITJTSA-N 586.739 5.544 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243945 DXSDJKWBKYBJEY-UYAGEORWSA-N 566.510 6.696 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101335315 LPJZGNSZARSHPM-RDRPBHBLSA-N 579.056 6.010 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101336682 NBNITAQFROSEQA-FDAWAROLSA-N 584.607 6.643 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101338059 SBBZUEFRTSUPPL-TWKHWXDSSA-N 542.639 6.081 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101341065 UDLLSWKGGNKACW-KEIPNQJHSA-N 622.681 6.427 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(Cl)c1 101363131 SDIGBUZHJZLYBA-KRWDZBQOSA-N 522.813 5.238 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5)ccc43)cc2)cc1 101378547 PBJHQJXJFNPHQX-YQSCABMFSA-N 549.026 7.064 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383298 WHMSVFVVQCOONQ-WJOKGBTCSA-N 567.041 6.738 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1F 101386557 XTMPALGLRQQJHL-GDLZYMKVSA-N 601.428 6.613 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387379 SJJDJGDSVAZCQI-YTTGMZPUSA-N 566.585 5.788 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389465 PHCNYIOUCGGPEW-MGBGTMOVSA-N 580.612 6.314 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)c(C)c2cc1Cl 101391354 ZFBNIHCZTADXRY-XMMPIXPASA-N 549.808 6.903 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101393082 JRDSEAAVLJOANY-PMERELPUSA-N 552.627 6.929 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 101393262 MODOGHXRBYGXFD-OTABCKCHSA-N 546.708 7.384 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101398641 DFSKVHNMBAHEIY-IHLOFXLRSA-N 550.542 5.368 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399742 QSMSJXIOAGDJHL-MGBGTMOVSA-N 621.089 8.118 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399959 ZNIBAJQGJWSTTG-JGCGQSQUSA-N 625.052 7.949 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 101678388 CCXROWNVMSKWKO-PXLXIMEGSA-N 534.955 6.433 50 10 KKGE C#CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 101717400 KRDKAJPXGVATDC-YBEGLDIGSA-N 520.754 5.209 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1 102007287 YCYBNPOAFRIVEG-KKMKTNMSSA-N 559.873 5.809 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 102349648 XWJMPTPRFWWPRT-WQRHYEAKSA-N 522.001 6.654 50 10 KKGE COc1cccc(N/C(SCc2ccccc2Cl)=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 102738429 NRJDFIBAFLEIAM-WEMUOSSPSA-N 538.069 5.805 50 10 KKGE CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCC)C(=O)C(C)(C)CCl 103065816 VYYOTBYRLRWOAY-UHFFFAOYSA-N 538.958 5.931 50 10 KKGE CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3nc4ccccc4s3)cc2)cc1 103456565 ODRQIJQSCBNDJK-NMWGTECJSA-N 551.649 6.405 50 10 KKGE COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=C1\C=C(c2ccccc2)SS1 103934906 XOYGDRLMLXVKAE-QZQOTICOSA-N 535.515 6.374 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105065751 NPXIQAHLWUJALM-NSKAYECMSA-N 573.068 6.567 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566571 WXWMVIQERZZJIY-QOMWVZHYSA-N 555.370 5.068 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)sc2Br)ccc1Br 124616304 JSIWYFTTZQPMFV-JTQLQIEISA-N 557.849 7.539 50 10 KKGE CCCCCCCCCCCCSSc1nsc(SSCCCCCCCCCCCC)c1C#N 148369384 QZHDOLCSLGQJKN-UHFFFAOYSA-N 575.057 12.337 50 10 KKGE Cc1ccc2c(c1)N[C@@H](SCC(=O)Nc1ccc(SSc3ccc(NC(=O)CS[C@H]4Nc5ccc(C)cc5N4)cc3)cc1)N2 164822088 WSUPLBCJJXRWJV-ACHIHNKUSA-N 660.916 8.089 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 195880669 WBCAJQRDYWOKNL-LKTVSZBHSA-N 636.006 10.534 50 10 KKGE in-vitro CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214339980 SULPGSUZKWNTQK-BHCCCVBWSA-N 608.673 7.611 50 10 KKGE ClC(c1cc(Br)sc1Br)c1cc(Br)sc1Br 236024006 CDZCGMLVWDRVQH-UHFFFAOYSA-N 530.326 7.188 50 10 KKGE O=C(COc1ccc(Br)cc1-c1ccnn1-c1ccccc1)NN=Cc1coc2ccc(Br)cc2c1=O 252640896 YXXOXKBVHISYAU-UHFFFAOYSA-N 622.273 5.700 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)OC[C@@H]1OC=C[C@@](C)(O[Si](Cc2ccccc2)(Cc2ccccc2)C(C)(C)C)[C@]1(C)O 253478236 JYMIUPGUKAMKLW-JJKLPUCZSA-N 707.116 10.061 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254378938 OFIFZVIDNKFPEQ-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)c3cc(C)ccc3n2)cc1 254628715 DZXITZYXDGTNFT-UHFFFAOYSA-N 602.691 7.032 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccc(O)cc1 254748701 FHLCEZLQGRFZPS-HXUWFJFHSA-N 522.634 5.369 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254818528 LEOMEJUVCCNLKQ-QNVZJZJOSA-N 612.436 5.318 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254855613 PMKYNMMHKBPJJY-UHFFFAOYSA-N 504.583 5.185 50 10 KKGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)c3ccc(CSc4cccc5cccnc45)cc3)cc2)cc1 254875011 NRXSPTCPSVIPTP-UHFFFAOYSA-N 561.663 6.657 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 719538159 QGDKWGPNOKZYQX-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721615120 RINTXUGKPQINJI-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE O=Cc1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(Cc2ccccc2)c2ccccc12 888086363 IAKFJLUEDPJPRQ-UHFFFAOYSA-N 510.577 7.311 50 10 KKGE COc1c(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)ccc2ccccc12 1083907730 YTNAAXSLJZIXLB-UHFFFAOYSA-N 511.581 6.119 50 10 KKGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1 1083915734 SXCSDYGCCBQGJL-UHFFFAOYSA-N 663.967 6.037 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccccc1Br 1083989134 QMLWCNYFOFSFPH-UHFFFAOYSA-N 558.217 5.821 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 1084015383 IKMWXKUOJWVRNW-UHFFFAOYSA-N 528.700 7.922 50 10 KKGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084124446 WSONCCGJIQYGBQ-UHFFFAOYSA-N 613.998 5.167 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccccc1O 1084141872 KLBRZJLCMFEKMY-UHFFFAOYSA-N 540.582 5.311 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1084274848 VQYIWBBLIGZENG-UHFFFAOYSA-N 656.588 6.634 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=CC2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 1084320258 DMNNDDNTDPWXMM-ZQWAWDFXSA-N 524.661 6.640 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(OCc2ccc(Br)cc2)cc1 1084477343 ADIHYWLFEYOBQE-UHFFFAOYSA-N 549.852 7.024 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 1084500038 LGUSRFFXSOTIGR-UHFFFAOYSA-N 516.431 6.065 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1 1084540285 IWPXJXHTUFMQSO-UHFFFAOYSA-N 734.432 8.561 50 10 KKGE Cc1ccc(COc2c(I)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2I)cc1 1084597851 NGKDKPVTDDEJTD-QHCPKHFHSA-N 654.286 5.747 50 10 KKGE O=C(NN=C(CNC(=O)c1cccc(Cl)c1)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1088692015 QZSOCYICCIBBDS-UHFFFAOYSA-N 508.859 5.334 50 10 KKGE CCOC(=O)COc1ccc2ccccc2c1C=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 1565518845 JBDPXLFFDUTEMO-UHFFFAOYSA-N 503.558 5.761 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(Br)cc1C(C)(C)C 1772753660 AJVKOMVMVHUVPK-UHFFFAOYSA-N 512.242 5.437 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865682828 YFWGMROJUDTWNI-DEOSSOPVSA-N 515.444 7.362 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686305 SZWDCVWILGPMOU-QHCPKHFHSA-N 513.395 5.837 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688462 SIDNQEHRQVOHLS-DEOSSOPVSA-N 515.411 5.967 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(Br)c1O 1865688773 AFNSOUAHLGVQLZ-QFIPXVFZSA-N 547.384 5.432 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865693072 RFFQSLMJVCBKKI-DEOSSOPVSA-N 537.458 6.047 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865696276 DBGNPTZBNMZIFD-XMMPIXPASA-N 531.410 5.722 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865697029 UUHGLTDVEAVSJK-QFIPXVFZSA-N 546.977 6.399 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865697657 YUDBDDPUKCLSTH-MHZLTWQESA-N 524.596 6.143 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701528 XNZQHTYQBBNRGF-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865702282 RPYVJXBHIROCCK-HSZRJFAPSA-N 515.386 6.027 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 1865704433 VQXVUKISOLGROA-NDEPHWFRSA-N 511.025 6.307 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705602 ZWLSOMICZMOTEI-MUUNZHRXSA-N 518.617 5.938 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865713984 AGKFDIUXCIRFOQ-INIZCTEOSA-N 526.258 5.089 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)ccc4[C@@H]3C)n2)cc1 1868527717 GWTZWVOJYAZGBQ-FQEVSTJZSA-N 523.662 6.991 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745348 IWWSIESMCOMVBP-ATJXCDBQSA-N 514.563 5.466 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3)cc2)n1 1872757310 ZQTVTOSUQYEDJP-NXFYHYSNSA-N 515.034 7.866 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccc(C)cc1 1872782942 YAFUPVZRKCEOAV-LQKURTRISA-N 502.639 8.314 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OC(=O)c1ccccc1 1872793300 SJWLBCZSYFRUQS-PXLXIMEGSA-N 524.642 7.408 50 10 KKGE Brc1cc(Br)c([C@H](Br)Cc2ccccc2I)s1 1922883543 PFVIKZFYFGNGLB-MRVPVSSYSA-N 550.879 6.556 50 10 KKGE Clc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924590462 JSKUMZIJIQMNHA-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924613253 HNUBMQFOOWSGFK-LURJTMIESA-N 563.878 7.600 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)s1 1948823581 PKLBFDSSWOYLOV-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Clc1cc([C@H](Br)c2ccc(Br)cc2I)c(Cl)s1 2026220727 HCDHYNWXFXAOGM-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2050466376 ACHJQEGYCYPEJK-MRVPVSSYSA-N 633.738 7.264 50 10 KKGE Cc1ccc(S(=O)(=O)N=C2c3ccccc3C(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@H]2Br)cc1 2055393222 FLELJGYJBJTRIZ-SZPZYZBQSA-N 624.376 5.200 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2060983663 XMSCGAAHYUJGLL-YVPPNDTHSA-N 523.910 6.429 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1Br 2072061018 KRMWOWHYIZGZHF-NSHDSACASA-N 519.878 6.529 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2141469175 SHQYFAOPZQJDCW-HLJYALQUSA-N 582.750 6.740 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2148752410 UAIYOZBOFWTBIW-AWEZNQCLSA-N 527.876 6.857 50 10 KKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2172409489 WFKXJLGSFCDKCP-SFHVURJKSA-N 505.172 6.284 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2198737767 SLTOEMVAQQWYJW-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Cl)ccc1I 2203827871 BJVJWUINPWTJFR-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@@H]2C1 2206396225 UNRFJMHCMYSIKQ-IUVXVMMPSA-N 550.354 7.843 50 10 KKGE Cc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)ccc1I 2207106020 WGEMCHMJBRTNCC-MRXNPFEDSA-N 507.991 5.781 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)c(F)c1 2207270420 BCVMIPMRYBGJRZ-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE CC1(C)CC[C@H](CBr)N(C(=O)c2ccc(Br)cc2I)C1 2207273806 XTFOKHCWXDUEGX-LLVKDONJSA-N 515.027 5.079 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1I 2218598720 VTTJCUBHODCILL-JTQLQIEISA-N 552.805 5.173 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cccc(F)c1I 2225616466 OROFDULKUTYFIB-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)cc1C 2236018070 UMLQRGKOKLGAMT-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2241002011 SNPJKQULOVDOAY-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252802893 RZVKLNQOIOGXNZ-UHFFFAOYSA-N 518.087 5.956 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1occc1Br 2259998817 IFDGOXRXGMKYGU-SECBINFHSA-N 509.764 6.330 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCC[C@H]1CC2 2273356938 CUTWTHAHPCAKIS-MEYOVJIESA-N 536.327 7.597 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)sc1Br 2285075163 QIADYKRLEDAEFF-ZDUSSCGKSA-N 547.932 7.145 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 2295165172 XESYGCAAYYKZMX-UHFFFAOYSA-N 505.441 6.214 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1 2295459782 XUYGOTYYCLDIGO-UHFFFAOYSA-N 506.514 5.400 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296647286 KEFOHICZSQDXMG-UHFFFAOYSA-N 574.456 5.651 50 10 KKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)c1 2296790021 JUKNSAFOTYHMEJ-UHFFFAOYSA-N 517.006 6.807 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1sc(Cl)cc1I 2301083690 LDDHYEFEIHFRJW-LLVKDONJSA-N 506.428 6.561 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521480 RBCGQBUQMJBWRB-UHFFFAOYSA-N 583.382 5.950 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccccc2)cc1Cl 2314476260 LRNCGBNHRMVFIN-UHFFFAOYSA-N 511.025 6.595 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592582 YDOKBJCGBQHQOW-SANMLTNESA-N 516.066 6.837 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314618944 XFCXLJQSUSMBHD-UHFFFAOYSA-N 572.665 6.056 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620387 OZVKZIQFWGIDLG-UHFFFAOYSA-N 526.564 5.257 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccccc2OC)sc(C)c1-c1ccc(Br)cc1 2314792694 CTINZXVEUHBXDU-UHFFFAOYSA-N 511.397 5.827 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cscc1OCc1ccccc1 2317423799 MJZLQDBEACPSQX-GOSISDBHSA-N 504.646 7.628 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc2sc(Br)cc2s1 2338692199 AHYJUZIMIZUYBV-VIFPVBQESA-N 505.482 6.312 50 10 KKGE CC(C)(CBr)[C@H]1CCCN1Cc1ccc(I)c(Br)c1 2349843419 VHLJZHILSFUNIT-CQSZACIVSA-N 501.044 5.439 50 10 KKGE CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(/C=N/NC(=O)OCC(CC)CC)cc1)n2C)c1ccccn1 2357019032 CVGQAZSBSLNMOA-FDALDRLYSA-N 627.746 5.677 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(F)cc(Br)c1 2365184290 DFYNXWHHLIUIGN-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)c1 2365187279 YSWGRJFQYPKYOR-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE Clc1ccc(I)cc1C[C@H](CBr)Cc1cccc(Br)c1 2380514646 GAKXYSGRYRWSON-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Cl)cc1 33406761 UTLMMIFQNMMJFZ-NVMNQCDNSA-N 501.797 7.170 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)cc1 35446185 MJKJNXBQZPPPIK-NLRVBDNBSA-N 507.597 7.367 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38650603 OLEUNFYVOLWTKU-XMMPIXPASA-N 505.368 5.675 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1Cl 38687778 JFNGQLONFXJDPJ-OAQYLSRUSA-N 501.753 6.093 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1Cl 40530245 HZXVDRKFCXWKHS-DEOSSOPVSA-N 509.389 6.528 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823225 FNOFANIBQVDRAJ-VWJSQJICSA-N 521.433 5.953 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 40846221 RBCYRGJBEPIHCJ-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100261369 ZMGNWIFSORKMGZ-IERDGZPVSA-N 592.328 6.262 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100288095 CPNAGIJHFCNCMU-AWEZNQCLSA-N 532.262 5.655 50 10 KKGE C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 100558989 JJQOAGDKDICZIE-MUFRIFMGSA-N 542.621 5.251 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101337915 KHHNIWAMJPYPFS-GJFYNSNLSA-N 500.639 6.788 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCC(C)C 101374327 XCQHTCYQLRBECP-PMERELPUSA-N 542.632 6.202 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101374578 QHHHDEJWEBLWMI-NDEPHWFRSA-N 543.576 6.000 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376498 ZLFNIOFADGMWPX-RUZDIDTESA-N 521.367 5.050 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 101377665 UFHZVXYJSOFFHI-NDEPHWFRSA-N 561.476 7.236 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379508 XTOORPZMTXGJLH-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380661 PTOYFFMBMWXVQD-PMERELPUSA-N 540.522 5.746 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382730 WBNKEVVNCLTDQW-KHBSKBJESA-N 569.444 7.409 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382827 TUTOPSOHXCNULU-PMERELPUSA-N 573.432 6.775 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 101395745 DEEWGEQBGVWTDM-HKBQPEDESA-N 566.654 7.455 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1 101614246 XNBNOJGWKSZABR-MWAVMZGNSA-N 539.430 5.647 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 101729592 DHBVLEKAAFQXHP-NXBFGJKASA-N 572.658 6.488 50 10 KKGE C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl 102455041 NOUDKQLKMCIOTR-FOKLQQMPSA-N 517.916 6.423 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1 103878856 QOFLFOMYBFOSOC-UVHMKAGCSA-N 558.226 6.309 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc2c(c1)Cc1ccccc1-2 104995408 FFAGHHMTWQXISW-HIUVJMHLSA-N 530.691 7.767 50 10 KKGE Cc1cccc(C(CBr)(CBr)Cc2ccc(I)cc2)c1 118877460 ZWGRFPSUSAGYDC-UHFFFAOYSA-N 508.035 5.870 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150433556 QMHROVKPMFUXTH-YTTGMZPUSA-N 631.512 7.807 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150464075 BQTDGJXBQSKGDF-XKLDMDDMSA-N 678.836 6.357 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2csc3c(Br)cccc23)c1 161116523 WSVCQNFUAKYIJG-CQSZACIVSA-N 539.912 7.673 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 164723672 VTFCWAPBOWMKKS-ZDLGFXPLSA-N 665.225 6.237 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O[Si](C)(C)C)cc4CC[C@@H]3[C@@H]1C[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C 195784429 MCKRDIGCTGOZEH-AIFRIFMOSA-N 504.936 7.807 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)cc1OC 206694849 YZCQTDLAACTWHQ-LGBOEXNSSA-N 502.567 5.637 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214241097 UPNKPXJCSHPJKW-CCPXZDFDSA-N 520.633 6.035 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1C 214256231 LUVWVOVUPNSDEV-UGHLTKRUSA-N 508.622 6.027 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214404490 WRSFDJLYCQZRNY-UQQQWYQISA-N 502.611 5.354 50 10 KKGE CC1CCC(CBr)(NC(=O)c2cc(Br)ccc2I)CC1 232803484 MHWUCUBOYXXTFQ-UHFFFAOYSA-N 515.027 5.127 50 10 KKGE COc1cc(Cl)c(Cl)c(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O 254402901 LENOTZQEMOZMEN-MRXNPFEDSA-N 571.490 5.531 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(SC)cc3)nnc2-c2ccc(C)cc2)cc1 254722163 NGUFVUCVBKZWSX-UHFFFAOYSA-N 503.653 5.216 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 254815243 LWXBFAMELHBYNL-UHFFFAOYSA-N 689.980 6.485 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1cccc(NC(=O)C(C)(C)C)c1 254893673 BQCVKEGVYLUZOA-UHFFFAOYSA-N 559.464 6.509 50 10 KKGE CN(Cc1ccccc1)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256019210 PFGOJLOAIWXUIG-DOPJRALCSA-N 508.092 5.331 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2CO[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]13)C2 256444320 RYABJKPQYNQPOE-DNWMGKGKSA-N 548.837 6.828 50 10 KKGE CO[C@@H]1O[C@H](CBr)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 309784948 GBRWKBAOTRGDCL-YTZCDUBRSA-N 527.455 5.509 50 10 KKGE in-vitro O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccccc2I)C1 382688803 OJUIMJVWTKHPTQ-NVXWUHKLSA-N 500.174 5.038 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2I)C1 382703046 DHMVOTGVJNPLHQ-MFKMUULPSA-N 592.053 5.439 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1I 393635478 MLQUOJJPQIPGAY-SNVBAGLBSA-N 508.354 5.064 50 10 KKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 504477615 JYZNDQLCHFXCEM-DEAOHMOUSA-N 561.601 7.083 50 10 KKGE biogenic Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Br)c2C)c1 725429602 PZVYFXQQDZACMR-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE O=C(O)c1ccc(COc2c(I)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 1084061357 VQIBLCFZRPNQCL-UHFFFAOYSA-N 745.105 6.446 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084170542 NVWAYLSNUMCGKU-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1084307180 WHVISDVQIWHKNC-UHFFFAOYSA-N 703.512 6.591 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2C)cc1 1084318548 CAZBFUUTPNHKKZ-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CC(C)COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 1084355498 MAJYYIUYLLXBMH-UHFFFAOYSA-N 514.047 5.105 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084527237 LCRHXDJSWOYBNX-UHFFFAOYSA-N 592.173 5.312 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1084571647 AZORPPBGAXHTLA-UHFFFAOYSA-N 643.121 6.205 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc(F)c1 1565517644 XMODKQRCTHSVEA-UHFFFAOYSA-N 579.625 6.205 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536928 AFNDTSIACJAGSO-VJNVWGOVSA-N 551.768 9.808 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751514 SOBSGPVTIOHNLP-UHFFFAOYSA-N 564.383 5.464 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 1772754938 AYXXCNHYPYLRAC-UHFFFAOYSA-N 538.094 6.684 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]2O[C@H](c3ccc(OC)cc3)O[C@H]2[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC 1848434911 CBYATNWDDXHUQS-HCKUBYJMSA-N 781.541 9.191 50 10 KKGE O=C(OC[C@@H]1O[C@H](N=C=S)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 1857790546 RITGYQZMPNVVEG-YSLHKSLUSA-N 637.666 5.348 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(Cl)c1 1865684305 WFZUILRLJWXMOU-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OCC 1865686779 ANCIYJDRBLLYKM-NDEPHWFRSA-N 571.077 6.997 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687853 BWAMIPRWBJASDR-NDEPHWFRSA-N 541.051 5.995 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688486 SWPXZLNHNGNNRZ-MUUNZHRXSA-N 575.496 6.980 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865689082 JKNSYDFPXFNJSO-AREMUKBSSA-N 510.569 5.753 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865695378 NXAZZBPTCDZBHQ-HHHXNRCGSA-N 506.606 5.841 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695518 DMILPQHHINFDHY-HSZRJFAPSA-N 575.419 5.251 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865697692 ZNVKHFADCIKGJC-GOSISDBHSA-N 549.347 5.588 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1C 1865703211 QBRSJOXJYXIQHT-SSEXGKCCSA-N 534.660 6.307 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703798 FYOROYHWZSXQEQ-AREMUKBSSA-N 514.541 5.617 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711296 VAGBGBPIKFCAHK-IBGZPJMESA-N 503.322 5.824 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711734 HATMVOLISKJXIY-RUZDIDTESA-N 579.440 6.099 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867061174 FAXBRMFHMGFADE-HKBQPEDESA-N 574.662 6.313 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 1868527685 GCNUEGCFUHKSNW-SANMLTNESA-N 561.633 8.219 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccc(Cl)c4)C3)n2)cc1 1868528141 NTCYQWYCMDIJQW-SANMLTNESA-N 544.080 7.090 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Br)cc3)nc(-c3cccnc3)n2)cc1 1868564759 DZPKJTFHYWSADD-QHCPKHFHSA-N 543.494 6.829 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)nc2c1 1872728485 FEXYYRWJMBBZOL-WOJGMQOQSA-N 506.345 6.072 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872749156 DMPLOZCRTCIYCU-LCUIJRPUSA-N 513.619 6.477 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCc1ccccc1 1872793388 XKUBNZIJJZYGLS-ZVHZXABRSA-N 510.659 7.902 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1Cl 1873795090 RETROCKDGSLUQN-LNVYCVNDSA-N 510.119 6.859 50 10 KKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)sc1Br 1901026688 RZWJZCFVVVLDEF-QMMMGPOBSA-N 512.457 6.623 50 10 KKGE CN(Cc1ccc(Br)cc1Br)C[C@@H](Br)COCc1ccccc1 1916334372 FWYKLBCZERGAEA-QGZVFWFLSA-N 506.076 5.624 50 10 KKGE C[C@H](C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924567994 AEQOLZHLFVIGED-HZGVNTEJSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC[C@H]2CCOC2)c1Br 1924604429 BNVZUJWVBNDUOI-NKWVEPMBSA-N 511.899 6.288 50 10 KKGE COCc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924609553 ZNDGHRUAFWFZTE-QMMMGPOBSA-N 539.934 6.728 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)c(Br)s1 1925570311 DVZODPNBTCFFNY-RXMQYKEDSA-N 564.771 7.888 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)cc(Br)c1 1925586463 ZJTOGSVAVRWNCZ-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE CC(C)CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780128 PECGWNORZCMAFI-ZETCQYMHSA-N 556.756 7.609 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2065890150 JJSJDFNDWCPQSB-ZCFIWIBFSA-N 542.316 6.215 50 10 KKGE BrCc1cc(Br)c(OCc2cc(Br)sn2)c(Br)c1 2084094157 ZCEGYJKMHNQCNB-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE O=S1(=O)CC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495958 UKNVKCFQKLBTRU-LHLIQPBNSA-N 546.300 5.204 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094672583 ALEUZAMNQFDDMI-ZDUSSCGKSA-N 576.917 7.239 50 10 KKGE CCC[C@H](C(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467756 BUIRPVBHBVKFHL-CLAHSXSESA-N 540.359 8.089 50 10 KKGE F[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471868 XEQAGXCIDYXUEF-FRSIUCEKSA-N 542.306 7.545 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(I)c1 2146629977 UPNOMLUNPGQOAO-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCOCC1 2173209318 WLNNOOBRJKAHMP-ZETCQYMHSA-N 521.418 6.675 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 2202343832 HUCRLGCQXFMASC-CQSZACIVSA-N 503.843 6.964 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 2202351499 JBZMHFZZAMVTSV-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE COc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397222 GTBLMZYXHBNHFD-LBPRGKRZSA-N 592.745 7.230 50 10 KKGE CSc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206397548 KMYLTFWUNMRJNA-LBPRGKRZSA-N 608.813 7.943 50 10 KKGE Fc1ccc(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206406044 UPNFQBMFTZSPOT-LLVKDONJSA-N 550.285 7.398 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cccc(I)c2)c(F)c1Br 2227805362 GCVMZNYOTBGWKS-NSHDSACASA-N 505.897 5.955 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(I)sn2)c1 2252832849 VDWDCYCGKGMGFI-VIFPVBQESA-N 551.867 5.951 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1I 2269554998 ZDNRTCUPGUFGSG-ZDUSSCGKSA-N 560.849 6.309 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)ccc2I)c1 2277958472 GIIXLUFFLIIOMN-ZDUSSCGKSA-N 623.746 7.257 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2295258706 NJKVTVVMHXNLHB-LURJTMIESA-N 533.454 7.800 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2295264423 FMLIKWIJTFFYNY-OAQYLSRUSA-N 510.653 7.483 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 2297551515 OWQLABZOIXJGHM-UHFFFAOYSA-N 530.191 6.475 50 10 KKGE ClC[C@H](OCc1cc(I)ccc1Br)[C@@H](Br)CCl 2302818451 DVPNRZCFLAOPQY-QWRGUYRKSA-N 516.826 5.180 50 10 KKGE COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571540 YOQKOKBQCWVCAO-UHFFFAOYSA-N 598.993 5.757 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(=O)n(-c2ccccc2)n1C 2314427805 HFZLAYBUJFLHCQ-UHFFFAOYSA-N 540.583 5.629 50 10 KKGE Cc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314449520 QQTSYEOMLIEZNW-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc(I)c(Br)c2)c1 2314453540 XOEZQHQCESXKCT-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C[C@H](C)O1 2314476761 VERWNHHSYSJYHR-GOTSBHOMSA-N 578.698 5.288 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634734 DGUQDUSONLFMEM-SSEXGKCCSA-N 526.589 5.720 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643331 RNZOWTZJNDLWSR-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1OC 2314754005 IKAFOCLYDMATLP-UHFFFAOYSA-N 510.059 7.285 50 10 KKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 2331279087 HNLCKGOCCIDUHZ-UHFFFAOYSA-N 513.373 5.267 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1OCCC 2331293168 BAXKTSQGRXJKGD-UHFFFAOYSA-N 513.641 5.709 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331332986 JQKBVEQLIHBLCA-UHFFFAOYSA-N 509.587 6.447 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c(C)c1C 2331468328 YPXFMWRGRSSAMY-UHFFFAOYSA-N 502.639 8.232 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OCC)c1 2331473859 KHDMPSWFNDZOJT-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Cl)sc2Cl)c1Br 2337091875 IHILTXPKIBJAMP-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1889049 FZSOVNQOKWQEOQ-DABWLCNRSA-N 516.381 5.468 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 14668115 JPOUVQQXUADQIO-UHFFFAOYSA-N 511.416 5.019 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 29503165 VJKJVJJQRZSVHK-MWAVMZGNSA-N 586.739 5.751 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 38604237 NTQFZRNCEIDZBK-LFVJCYFKSA-N 507.030 6.490 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38659863 UEKAZLPNPUMPFO-MHZLTWQESA-N 500.551 5.176 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 38660438 BXUNWONPJLWDBL-AREMUKBSSA-N 514.578 5.447 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38681937 WBRBPEBMKBHANF-LJAQVGFWSA-N 512.606 6.400 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)sc2c1 38687675 HXOXRVSOANXQRB-QFIPXVFZSA-N 507.398 6.954 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 40514748 YUXRHNPOLYICOZ-WGOQTCKBSA-N 519.004 6.294 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCC/C=C\CCCCCCCC 72400252 LIBNDJOBAGMROQ-JOBMVARSSA-N 637.430 12.531 50 10 KKGE C[C@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]23OO4 97978587 DFPBBOCDGYBNBR-BIVSLTHYSA-N 550.689 5.419 50 10 KKGE in-vitro O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100143899 AQJRQKOGOSWUGB-UHFFFAOYSA-N 532.449 5.067 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227667 OVSJYCHTPOKFPI-UDWIEESQSA-N 583.382 6.031 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232888 XBLYBAXZJHGOCC-MTJSOVHGSA-N 536.382 5.558 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244398 NSLWKWVIYWWEDZ-HEQFHQOESA-N 522.457 6.621 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374111 WDPVVFYDBJSKIV-GHRAFVERSA-N 570.686 6.979 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383300 WHMSVFVVQCOONQ-HKBQPEDESA-N 567.041 6.738 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101386788 ZEWGPRAIIKJWJK-MGBGTMOVSA-N 572.592 7.004 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101390762 FIFUQJRJYMGNJQ-SANMLTNESA-N 559.416 6.730 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Cl)cc6c5C)ccc43)c2)cc1 101398252 VBPSIYCXPNTGEU-HKBQPEDESA-N 577.036 7.719 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)CC1 101399811 FOGKRUYJDNYMLJ-KXRUWWJVSA-N 615.170 8.438 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 101611823 JQNBLNHOAQBMQV-UXHLAJHPSA-N 546.407 5.400 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 103742962 UJRQDKYJSGAQHE-QPSWJSTDSA-N 542.875 7.020 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 105134729 LNSJGOXIYVJOMF-WOJGMQOQSA-N 560.673 7.298 50 10 KKGE O=C(CCCCC(=O)N/N=C(/c1ccccc1)[C@H](O)c1ccccc1)N/N=C(/c1ccccc1)[C@@H](O)c1ccccc1 105436240 CVLMRNMQWDMXSO-KOFZDPDOSA-N 562.670 5.055 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2csc(I)c2)c1 118884041 BWDSLDXAKFMZDT-LLVKDONJSA-N 536.852 6.362 50 10 KKGE CCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920689 HNLMHAUNUCSDSQ-UKEVNPHNSA-N 549.678 9.503 50 10 KKGE Brc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 128866721 DBHRYOBLLULMKW-SSDOTTSWSA-N 574.777 7.344 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@@H]2CCC[C@@H]2c2ccccc2P(c2ccccc2)c2ccccc2)c1 148673983 YJHRUEONIJPVAL-IUNOAQLMSA-N 598.751 9.084 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479618 XFMCCCAIGGAJSU-DEOSSOPVSA-N 663.382 7.470 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 164618525 KFWVNHCCJVXEPE-ODNPBWNPSA-N 708.369 8.302 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 205670856 VPXNSEBBJTUFRS-ZLONXLDTSA-N 576.624 6.949 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 206288367 WNDKNXAGRJKEQK-YMXYCTNHSA-N 507.583 5.752 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCC)c(=O)oc3c2)cc1OC 206541393 WBBFEZAKFNGWBD-JCMHNJIXSA-N 532.593 5.413 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214347618 PZSXFYPBKIMAQW-PKAZHMFMSA-N 516.576 5.822 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214350378 SLYOUXJIOITBJB-QOMWVZHYSA-N 500.639 6.269 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214379853 GLEKUPJMVMJVPJ-CAQPMQTCSA-N 570.693 6.983 50 10 KKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2I)cc1Br 235974749 LENYSKWUERVAQJ-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 251398191 LMCNYCSDWPLKPZ-KSCDKVHLSA-N 505.227 9.203 50 10 KKGE biogenic CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2)cc1)c1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2)cc1 253574222 SHRWGDBRSGEGEI-UHFFFAOYSA-N 695.061 9.821 50 10 KKGE O=C(NN=Cc1cc(N=Nc2cccc3ccccc23)ccc1O)C(O)(c1ccccc1)c1ccccc1 254348245 SYXBURJKSZVIBY-UHFFFAOYSA-N 500.558 6.347 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254404732 RTNMHRMMCZRCQT-UHFFFAOYSA-N 544.746 6.174 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccccc1 254734064 AAWFNXPVNXJKNX-JGCGQSQUSA-N 600.679 6.413 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(N[P@@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1 263621477 YOZBKOHEDWOGML-ZUDWSDLOSA-N 537.383 8.321 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2I)C1 382728587 SJMVKBRRVOAONC-WMLDXEAASA-N 581.619 5.732 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616682644 FITOPSJDDZBSTN-AREMUKBSSA-N 512.887 8.203 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)s1 688142904 FCXJIWTXHSHURN-GFCCVEGCSA-N 533.905 6.666 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084031388 UXIWMKMMNSYOEL-UHFFFAOYSA-N 663.505 7.000 50 10 KKGE CCC[C@H](C)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 1084124472 JHSHMDVNFZUOSS-FQEVSTJZSA-N 509.444 6.461 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc(C)c1 1084282657 TVULEUZFONQOPX-XHLNEMQHSA-N 521.661 5.957 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084480693 JWGLACKSGXYHNY-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 1084527934 RTLIDQQRNLDYFM-UHFFFAOYSA-N 578.090 5.663 50 10 KKGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084621077 USOHZKHHJKMDNC-UHFFFAOYSA-N 643.549 5.061 50 10 KKGE Cc1ccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)o2)cc1C(=O)O 1084649716 WBUAZHSOXGZEKU-UHFFFAOYSA-N 565.629 7.842 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccc(Cl)cc1 1084657435 VRUPLBHZULKMSX-UHFFFAOYSA-N 564.070 7.173 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748789 UDBMKPKWPJQXGE-UHFFFAOYSA-N 547.442 6.848 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749330 TYWATMWIIOIERV-UHFFFAOYSA-N 534.641 6.439 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccccc1C 1772753665 ATHYQYCNLBPDPF-UHFFFAOYSA-N 562.258 5.637 50 10 KKGE C[C@H](CO)[C@@H]1CC[C@@H]2/C(=C\[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 1848438786 VGPRIHGJOIJOMO-WWDMICPKSA-N 508.841 6.426 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865682224 JCUMEEJNRVPUSZ-GOSISDBHSA-N 507.343 6.714 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689223 MXJZXFJIALDRNN-QHCPKHFHSA-N 577.410 5.441 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690366 PIQFMCVVFHKTKO-HKBQPEDESA-N 554.650 6.713 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694450 VNWWONALOAIEPU-GDLZYMKVSA-N 538.623 6.219 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865694883 DQZHOJIPOFOAMO-MHZLTWQESA-N 512.997 5.948 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695496 OYAVADMJTSRXRZ-AREMUKBSSA-N 531.443 6.598 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695546 PQZOEYDDVAESLO-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Br)c1OC(C)C 1865697316 PZYGYHQUZBUKPQ-QFIPXVFZSA-N 543.849 5.670 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865701745 DHPMGNHWLPELHS-VWLOTQADSA-N 540.465 6.366 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865702407 VEWMGWJDNSQXEX-SANMLTNESA-N 570.491 6.375 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705550 YWTZMEYBBFYQTI-MUUNZHRXSA-N 538.623 6.137 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)c1OCc1cccc(C)c1 1865706474 XORKPFCGBIKIPF-HSZRJFAPSA-N 532.522 6.005 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706480 XQGAWCCFSNZOTF-JOCHJYFZSA-N 536.350 6.171 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865706628 BEWGHPNTEBIBPH-RUZDIDTESA-N 564.011 6.848 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712476 ZSQJHQQUOGFSQE-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE CC(C)(C)c1nc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866868773 YKFIUJRJVIKITF-JOCHJYFZSA-N 515.614 5.324 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987564 AALYAVRCAJJKHL-RPBOFIJWSA-N 508.018 5.912 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)cc1 1867069935 GOPPSWJKMSTLSC-SANMLTNESA-N 516.623 5.951 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3C(C)C)n2)c1 1868505607 JZGAGEOIXSQFCU-GDLZYMKVSA-N 507.663 7.229 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C)cc5C)cs4)cc3C2=O)cc1 1872749024 XUZZUNCYRZYKLO-RFBIWTDZSA-N 521.598 6.182 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1Cl 1872794597 LDGQMGSTIAHOBF-FRKPEAEDSA-N 519.848 7.095 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915754463 XRNCDUPANWLFNT-UHFFFAOYSA-N 504.060 6.028 50 10 KKGE Cl[C@H](c1ccoc1Br)c1c(Br)sc(Br)c1Br 1924579352 DGLGDRLKBNTNAV-ZCFIWIBFSA-N 514.258 6.719 50 10 KKGE O=[N+]([O-])c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)o1 1924590375 IVEJDNXLCNYXHP-LURJTMIESA-N 524.810 6.021 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1c(Br)sc(Br)c1Br 1924611475 BCGIABUXCSBVSC-SECBINFHSA-N 650.193 7.731 50 10 KKGE C[C@@H](CC(C)(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611644 DGBPVZCZSLJHCU-POYBYMJQSA-N 511.943 7.544 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)oc1Br 2083334521 RVKZYQYUHIAUEU-LBPRGKRZSA-N 501.838 6.668 50 10 KKGE O=S1(=O)CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493551 CYOYAYYFQWFKGB-SNVBAGLBSA-N 546.300 5.061 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CC2)C1 2085493638 FEWLXKNDNRAASZ-GFCCVEGCSA-N 522.300 7.207 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2scc(Br)c2Br)c1Br 2136381036 DYGCNSHGUMZEJD-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627289 JHIMLQOIBBCJPC-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCCO2)c1csc(Br)c1Br 2150344397 KAJJSEOVVBFGRH-LBPRGKRZSA-N 503.437 6.135 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2ccc(Br)cc2)c1Br 2201068075 DBNXFMJIYQOSGC-CQSZACIVSA-N 525.904 7.270 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)ccc2I)c1Br 2201082210 NVWCQZYSTXYSBJ-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207098549 WQABLHUWAYLGLT-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1I 2212998586 BRZZWAGLFPGGBD-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225321031 GIHGOSSGHSKIQV-PKIKSRDPSA-N 535.965 7.688 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277888988 MNHYESQZPQZWRC-QMMMGPOBSA-N 572.769 7.974 50 10 KKGE Cc1ccc(I)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277957684 ZMGFEPYSBCHUIZ-CQSZACIVSA-N 514.426 6.647 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277966366 SGIORPOATWVZCZ-CYBMUJFWSA-N 515.840 6.792 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)c(Br)cc2Cl)c1Br 2282906358 AVWBERUKAJYNFH-AWEZNQCLSA-N 550.285 7.559 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 2293202128 GJHSCBNYNAQAAT-UHFFFAOYSA-N 516.450 6.774 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818714 OGJHIJRQMFHSCP-PLKRDAILSA-N 785.163 13.456 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2295258707 NJKVTVVMHXNLHB-ZCFIWIBFSA-N 533.454 7.800 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1 2296507032 PWZIQCQFTRSELV-SANMLTNESA-N 550.511 7.401 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1I 2303541189 VGZCHPYZHLJSMS-OAHLLOKOSA-N 522.608 5.045 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1 2313545971 SIHZBDNBZHUKRU-UHFFFAOYSA-N 538.648 7.155 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1 2313566784 AERAPLKLCHYLCS-UHFFFAOYSA-N 505.977 5.322 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2c(c1)OCO2 2313570760 FQSGBZPHQSCKRU-UHFFFAOYSA-N 590.257 7.008 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594045 YBKLRKOKAAHFTQ-BCHFMIIMSA-N 515.610 5.528 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314611096 QHUQXDJVGZGGSM-QGZVFWFLSA-N 545.437 5.701 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1OC 2314616884 MCIKPHKTTQLZEZ-UHFFFAOYSA-N 589.608 5.300 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618033 GCHOYZICNLOQET-UHFFFAOYSA-N 523.029 5.725 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314619930 HGLYYBQFYGQFOS-UHFFFAOYSA-N 600.719 6.726 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314620002 IZCFJLBXYPGLOL-UHFFFAOYSA-N 605.138 7.944 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C(C)=C(C#N)C2=O)cc1 2314620180 LOWXJGFEZYCQFC-UHFFFAOYSA-N 638.699 7.101 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331366356 RPAZVMJZEVYMJS-QHCPKHFHSA-N 517.676 6.254 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 2331412957 WESPEYDZTLHSPE-UHFFFAOYSA-N 521.422 6.795 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2338017732 POPUGLINHMWPJZ-OAHLLOKOSA-N 514.064 6.860 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)Cc1cccc(Br)c1 2360425741 FLDVSVRMIPTNEJ-VIFPVBQESA-N 505.834 7.336 50 10 KKGE Clc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)cc1I 2362375354 JAFXKBNXTQFACV-CYBMUJFWSA-N 528.453 6.503 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 2194110 TWXNGZCVJCHIPT-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3C)C2=O)cc1 2671095 ZEQDHPQAFAFMTJ-VECHRTTRSA-N 504.011 5.722 50 10 KKGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2cccc(Br)c2)cc1 3040211 HCJWNCIHARZAOS-HSZRJFAPSA-N 507.856 5.215 50 10 KKGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(Cc1ccccc1Cl)C(=O)CCl 3040241 XZASPHUSQPNMGJ-JOCHJYFZSA-N 512.275 5.860 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1OC 6167544 GVRXXOPMRMYZFT-KNKDBZLPSA-N 635.783 6.407 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1Cl 14768832 OHXYLNFPOMFURB-OAQYLSRUSA-N 517.807 5.153 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38655055 NHLUOGOTZMOXTK-NDEPHWFRSA-N 503.514 5.550 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)c1 38679351 RSMNMGGLHSEHDO-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE C=CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 59303640 HMRMCKHVIOHXES-NDZAJKAJSA-N 514.423 6.544 50 10 KKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1OCc1cccc(Br)c1 96095864 QWHQCHPIMJJSCR-RDRPBHBLSA-N 501.380 6.584 50 10 KKGE C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921782 HAWJBDFOEJGWTO-QNLNDQRBSA-N 520.103 5.650 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246456 COEYAGJYUFUHJH-NSSVPSLESA-N 552.483 6.629 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1Cl 101333058 TYUBLCGXPABMHY-KOEQRZSOSA-N 543.067 6.764 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369494 UHEZRGAGXYVTFV-LJAQVGFWSA-N 524.960 6.335 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1 101378073 VZTGTCIPEPOPSF-NDEPHWFRSA-N 500.570 6.612 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 101378085 JLDXVLBGGXXGRB-MGBGTMOVSA-N 554.687 7.362 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382675 YAIVFVJAFZZGBY-PMERELPUSA-N 538.987 6.122 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383588 LQRCTBNBPFBHKF-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1 101383743 DVVBDSMRKVAVJH-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 101394429 UQVFIZNPJBYVFH-IBGZPJMESA-N 545.806 7.438 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101395336 DYKHNPRAUNHWRX-MHZLTWQESA-N 609.531 8.223 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101398825 GAWWQIGXIOWXSG-PMERELPUSA-N 619.476 7.938 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614291 SCPMFVVNNMVNPH-LQKURTRISA-N 536.213 5.775 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OCCOC)c1C 102924675 OXEXERDNQMPJSE-XDJHFCHBSA-N 547.658 6.290 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1 103741552 KBWUJVCHEQDSKR-GPSDDGMOSA-N 597.332 6.585 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1 103877799 DKTSEPRDIWQAHI-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc(F)c1 103881205 VXCLMTFYTAFANG-WCMJOSRZSA-N 551.412 6.805 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Br)cc1 150428989 WZCKRYRCSMQTCM-ZTCOUNKMSA-N 630.377 6.882 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)oc2ccc(Br)cc12 150481807 LXEFGNMVQJXMPF-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1 161114244 IUAGQIOCDLMNQR-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 205666652 DTLKZUPDTFPMGL-QXSBJYOWSA-N 532.571 6.550 50 10 KKGE N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492943 GLNWXSYAHCXKMC-QOCHGBHMSA-N 501.974 5.001 50 10 KKGE COc1ccc(NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 253566438 IXYHENLSNHNXHD-PPOKSSTKSA-N 542.728 6.223 50 10 KKGE CCCCOC(=O)c1ccc([Si](CC)(CC)O[Si](CC)(CC)c2ccc(C(=O)OCCCC)cc2)cc1 253575217 UIJOZAPDCJZSEN-UHFFFAOYSA-N 542.865 6.702 50 10 KKGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OCC)c2)cc1 254530723 KGTDEBXJHBOHMS-UHFFFAOYSA-N 504.583 5.646 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254567325 RXBREAWMAPAPSL-UHFFFAOYSA-N 592.652 5.219 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1 254758780 RGGWFRSQWAIOKA-UHFFFAOYSA-N 538.698 6.030 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)c2cc(C)cc(C)c2)cc1 254821146 RQMRDJXQPLSNQK-UHFFFAOYSA-N 541.673 5.536 50 10 KKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3c(-c4ccccc4)[nH]c4ccccc34)cc2)cc1 254844028 FYMAVGJQHYPICM-UHFFFAOYSA-N 501.630 7.475 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 256028631 ZGJIGBLNSYZDSY-UHFFFAOYSA-N 625.614 7.095 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)cc1Br 386203752 XQHOLEVBIPQMMW-NSHDSACASA-N 501.842 5.500 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232375 OYSKUZDIHNKWLV-IGLILRLSSA-N 663.406 6.422 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616584266 AUHUBWQSDUBDNK-LJXDPWEESA-N 602.882 6.424 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 885767275 OOEFJWPTKXCMDU-DWJVHOBYSA-N 639.126 11.358 50 10 KKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1C#N 1083988364 BCGCYUXRRWBIHI-UHFFFAOYSA-N 511.379 6.142 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(Br)c1O 1083992503 VZOOXHQLXIFTCF-UHFFFAOYSA-N 524.415 5.477 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2)S(C)(=O)=O)cc1C 1084247861 HAWIZDQZIXDBQJ-UHFFFAOYSA-N 597.568 6.748 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(COc2ccc(F)cc2)o1 1084298865 CQHKSLVAQDPCLO-IBGZPJMESA-N 534.617 5.018 50 10 KKGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl 1084371963 UMPNDDIJNXDWDL-UHFFFAOYSA-N 649.940 5.728 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084502019 AMOHZNKVWJVEJW-UHFFFAOYSA-N 558.294 6.668 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 1084507501 LTMUKISCMXCHSN-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749189 RDEQAAAQFXMGSK-UHFFFAOYSA-N 580.006 7.501 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750120 USCYXZQGOVGGKV-UHFFFAOYSA-N 549.499 5.169 50 10 KKGE CCN(CC)C(=O)COc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772755177 SDZHLGHIFSWMAK-UHFFFAOYSA-N 591.553 5.071 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683617 GFMUNSRTNJAEDV-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690558 UWRVYKSEONSOBY-AREMUKBSSA-N 561.469 7.252 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865704159 OXHMWAAAFCIFTI-HXUWFJFHSA-N 502.924 6.008 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712512 AKZXUSZQYKSHSD-HSZRJFAPSA-N 548.386 6.040 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](C)c2ccc(Cl)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866716794 UNXSVLIOOYLTEN-WXTAPIANSA-N 536.053 5.698 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005371 VNYRPOSBAXYESE-SVBPBHIXSA-N 518.082 6.553 50 10 KKGE CCC[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867088781 BDUFQNDIGFSHEE-HHHXNRCGSA-N 524.646 5.570 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)n2)c1 1868506200 UDZLOKFKBIMODS-RUZDIDTESA-N 530.053 6.700 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(OC)c1OC 1872754214 INGINMBOZULNCM-VZCXRCSSSA-N 507.612 5.292 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 1872792749 PMMGBRHUWBJABC-CJLVFECKSA-N 506.668 7.639 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1sccc1I 1899884224 RDXRQPYBCVLKNM-QGZVFWFLSA-N 564.080 7.179 50 10 KKGE Cl[C@H](Cc1ncccc1Br)c1cc(I)ccc1Br 1924863190 YYOACYDRIMYKBT-GFCCVEGCSA-N 501.387 5.734 50 10 KKGE Cc1nc(I)c(I)n1-c1cc(Br)cc(F)c1CBr 2051131529 MBJSGWWZZXJABI-UHFFFAOYSA-N 599.805 5.186 50 10 KKGE COc1cccc(NC(SCC(=O)N2c3ccccc3Sc3ccccc32)=C(C#N)c2nc3ccccc3s2)c1 2053622101 LTMXGDMIJYWDRA-UHFFFAOYSA-N 578.744 8.172 50 10 KKGE CN([C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C(C)(C)C)[S@@](=O)C(C)(C)C 2080759062 OPZNKILVSCIGHA-AJWXIOOLSA-N 597.805 8.358 50 10 KKGE Brc1cccc([C@@H](Br)CCc2cccc(Br)c2Br)c1 2113488945 JLIDKWXXKYWESR-ZDUSSCGKSA-N 511.877 7.043 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@@H]2Oc1c(I)cc(Cl)cc1I 2173619190 OKHUVIYDKSJQMJ-UMXXFWPTSA-N 537.006 6.114 50 10 KKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2193090347 FADRLCMBGHYSFV-FHQKJZPWSA-N 563.853 6.582 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)ccc2I)c1Br 2201083025 VSVYPAHRNYOVMJ-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2225632386 BOHBRNYETQBKET-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2225634704 QMUYZBJSYNXCKG-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1Cl 2232526796 KYDRVZBCWPMRSM-AWEZNQCLSA-N 546.322 7.729 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2I)c(Br)c1C 2253505169 OXKBQYSOPVKKIM-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Brc1cc2sc([C@H](Br)c3csc(Br)c3Br)cc2s1 2263560228 PITNEKPVNDOJIQ-SECBINFHSA-N 551.970 7.796 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Cl)cc1I 2269539542 FAEKEIRLTYUJNY-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619876 FUEFMTCTNXHINN-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc2ccccc2s1 2296547565 AZULMCXCWBGJTJ-UHFFFAOYSA-N 528.612 7.931 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)c(=O)n(-c2ccccc2)n1C 2296706001 IZLVTQKHQSPLIF-UHFFFAOYSA-N 641.131 7.115 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)C=Cc1ccccc1 2297454034 XHXFNQYQWKWWGX-UHFFFAOYSA-N 513.594 5.453 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C(C)=O)c1C 2297465963 BWPRMVIKTMTPLL-UHFFFAOYSA-N 516.442 6.298 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297491181 OYWSSIUAHSXVSG-UHFFFAOYSA-N 549.730 6.886 50 10 KKGE CC(=O)NC(=C(Cl)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497904 FVVKMOFNNZIBIN-UHFFFAOYSA-O 503.027 6.415 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]6(CC[C@H](C)CO6)[C@H](C)[C@H]54)[C@@H]3[C@H](Br)C(=O)[C@@]2(O)C1 2297643203 NZMXPNPAWOZZDY-VLDSLDTLSA-N 567.561 5.032 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1I 2303545654 VGZCHPYZHLJSMS-HNNXBMFYSA-N 522.608 5.045 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313545982 TXWDIWFALMZNFU-UHFFFAOYSA-N 662.355 6.831 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570581 AFSYYWKSLAAVGA-UHFFFAOYSA-N 631.151 8.796 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@@H](CC)C2 2314571812 MKJQBRHKJBDCCP-QGZVFWFLSA-N 560.075 7.447 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591762 DJEUGNZWTOYMJQ-VWLOTQADSA-N 546.490 6.385 50 10 KKGE COc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618658 RDXXZZZEWWRBOR-FQEVSTJZSA-N 512.993 6.281 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)c2ccccc2)cc1 2331398452 WOELGVNENPRJEK-UHFFFAOYSA-N 501.007 7.514 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2)c1Br 2362235326 LFRMQMYWYOVCJR-VIFPVBQESA-N 550.285 7.445 50 10 KKGE BrC[C@H](OCc1cc(Br)cc(Br)c1)c1cccc(Br)c1 2362247285 IFVHZRWSNWHYEY-HNNXBMFYSA-N 527.876 6.627 50 10 KKGE CC1(C)CCC[C@@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2377330542 FJXSVXKRAQXDIT-KRWDZBQOSA-N 514.083 6.968 50 10 KKGE N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(I)c1 33353785 JGBVALJFVXWYQO-ZWEKWIFMSA-O 562.456 5.170 50 10 KKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C 33694039 DZAKLHHNNVKEQJ-KGENOOAVSA-N 509.391 6.115 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38681107 ICVWRPZDUQJTHE-GDLZYMKVSA-N 504.542 5.851 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 58894705 SYWGRAGWEUULAE-NSUQCTOWSA-N 524.448 6.359 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 100173458 QRQZYJPZBGBQKU-GOSISDBHSA-N 572.525 5.664 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1 100237863 FRNMXMNREHIDIX-WGNDPNKDSA-N 576.406 5.372 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 100415433 JKLSRABJAIIJOJ-KKMKTNMSSA-N 546.190 6.440 50 10 KKGE CCOC(=O)c1cc2ccc(OC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)cc2oc1=O 100935497 ZAPRIRGLBUPEBV-BULFRSBZSA-N 621.116 5.561 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246731 GSFQKSUIHIPLGI-KVILUOORSA-N 517.582 5.298 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101295894 IKYKQYQCTPFTBT-HHHXNRCGSA-N 526.976 6.705 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362403 BMZZOKFCAGPONP-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376709 GGGGZHIMYXPYGE-HHHXNRCGSA-N 549.421 5.831 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382094 GHONYBHQWGPOHQ-WJOKGBTCSA-N 532.596 6.410 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383272 LVRRRMAWVCBFIT-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388194 MACSICBJLFKDMM-KHAIMMOXSA-N 635.160 8.452 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101393250 QGCFMRYKCJAMDP-WJOKGBTCSA-N 566.654 7.373 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101396095 MPPTWOGHHAUDJC-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 101762373 AOKALHVVTKMYAF-DEDYPNTBSA-N 530.415 5.816 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1OC 101827235 RBBUJRVSXLRWLO-CJLVFECKSA-N 611.558 7.786 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc2c1CCCC2 102462153 WYNNBLWIRDSUJG-XLNRJJMWSA-N 517.720 7.951 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)c(C(=O)OCC)c1C 102924617 ZJEHLOJQTKPCFI-XMHGGMMESA-N 507.637 6.239 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741643 KWRGMXJMBZTUJJ-SCIJIFGBSA-N 549.406 5.422 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl 103796733 ZSADYTXZAZVAKA-FDALDRLYSA-N 598.530 8.501 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)sc(C)c1C 103881073 FWTUFGMHEMZPGW-JEPNHJGPSA-N 578.738 7.479 50 10 KKGE COc1cccc(N/C(SCc2ccccc2Cl)=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 105423040 NRJDFIBAFLEIAM-NFFVHWSESA-N 538.069 5.805 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1OCc1ccccc1Cl 109033125 UOMQTKVOKYXQPE-QNGOZBTKSA-N 548.982 6.249 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1Oc1c(P(c3ccccc3C)c3ccccc3C)cccc1C2(C)C 136471476 LRBMIJWNZORINX-UHFFFAOYSA-N 634.740 8.868 50 10 KKGE CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 142751098 APKSFMCFWBVVSU-KDZYWJIPSA-N 535.776 10.126 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 150382751 DITZSLRLNDZRBW-LKHJKXADSA-N 662.149 6.903 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 150428754 FNIKZPHQIOHVMV-BIRDKGHYSA-N 706.202 7.302 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485419 ICOUIYNCJGCXAX-OKXSDPAFSA-N 635.475 7.311 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 206523354 UJDJXBLHQFKUIV-HAHDFKILSA-N 508.530 5.024 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 214240437 OHRSMJRGGSOBKW-USHMODERSA-N 522.649 6.419 50 10 KKGE O=C(N/N=C/c1cccc(/C=N/NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1)Nc1ccc(/N=N\c2ccccc2)cc1 215821481 VWGURBURQKEZPX-MIAKFKPMSA-N 609.654 8.224 50 10 KKGE CC[C@H](C)c1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 234019999 WQKSNUQGXVPNTN-APPDUMDISA-N 508.035 7.052 50 10 KKGE Fc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1F 236152947 MQIPFUGSHQDIOJ-LLVKDONJSA-N 501.934 6.011 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)cc1F 236210488 INIUEYDLPJGBCL-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)c(I)c1 236221326 NSCSFFSGXJPCLR-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 254291096 CMCHJABNLUVPIB-UHFFFAOYSA-N 600.679 5.978 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2OCC)cc1 254716234 OERXKWLPPWTSCS-UHFFFAOYSA-N 539.588 5.335 50 10 KKGE O=C(NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CSCc2ccccc2)cc1 254734540 ZNCCOEIZYDRJML-UHFFFAOYSA-N 501.652 5.275 50 10 KKGE Cc1cc(CCl)ccc1Oc1c(I)cc(Cl)cc1I 311413484 LXSGYAVASCKHMY-UHFFFAOYSA-N 518.947 6.389 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2C(=O)O[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)[C@H]2Cl 504374659 DDCCFIREQZTEMS-RGGUFHCESA-N 597.265 6.572 50 10 KKGE C[C@@H](Cl)c1nc2ccc(F)c(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 689778383 KDNPPLWKMPVNDU-LJQANCHMSA-N 514.870 7.330 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(C)c1 1083957849 MEDLTAQAGYZBAD-VCHYOVAHSA-N 501.797 7.089 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(I)c1 1084011246 LUSKOMHYZNWADF-UHFFFAOYSA-N 635.833 5.699 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1084067098 WWCNVTGSWBHDAL-RUZDIDTESA-N 511.018 5.599 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC#N 1084157632 GNYVZHDRECMYNA-KPKJPENVSA-N 528.133 5.055 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1 1084158524 KKBRJKBPONFXPA-JOCHJYFZSA-N 627.704 6.250 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1cc(I)c(O)c(I)c1)NN=Cc1cc(Br)c(O)c(I)c1 1084322245 DXUABTTXCBJEDS-UHFFFAOYSA-N 923.166 7.176 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084360918 NSQAWUVFLZVHFI-MRXNPFEDSA-N 526.431 5.277 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084447726 NPUSDDZHECLFJF-UHFFFAOYSA-N 623.776 8.266 50 10 KKGE COc1ccc2cc([C@@H](C)C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(OC)c3)ccc2c1 1084491002 JGISOROOEXEBOZ-QGZVFWFLSA-N 561.978 5.892 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084542722 FVMGEUHDWIDSIL-UHFFFAOYSA-N 571.327 5.297 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084572195 FXNOGNJPQIFCOS-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(SCC(=O)NNc2ccc(F)cc2)n[nH]1 1084650333 GFZCXNNGDGYHFU-UHFFFAOYSA-N 644.825 6.591 50 10 KKGE CN(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088689426 DGRIEXFSXRRPFO-JOCHJYFZSA-N 514.479 5.337 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2ccccc2C(C)(C)C)c2cc(Br)ccc21 1772752451 ODXPOAPLNBCMJY-UHFFFAOYSA-N 500.437 5.183 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681152 GFPDMORVCHRCOT-DEOSSOPVSA-N 533.415 6.228 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682819 YAJLZWRIMOTQBP-MHZLTWQESA-N 553.449 7.285 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865688218 NIQYHPDDKGZEQP-HHHXNRCGSA-N 507.594 5.334 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865689214 MUIQUIAXATZVPS-GOSISDBHSA-N 522.186 5.182 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865691173 LLCIBLRALILFHQ-OAHLLOKOSA-N 515.330 5.090 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865691243 NQJSJSQAGGYETA-QFIPXVFZSA-N 539.430 5.221 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865696455 NIHRWJSDCYBJHL-NDEPHWFRSA-N 536.632 6.344 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701989 KCIKNRVHYZYCAP-QFIPXVFZSA-N 551.803 6.321 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702609 XSQZYSKXUZBLFI-JOCHJYFZSA-N 504.377 5.527 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703145 NZMBVZAIQRWCSM-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704867 GMPMOWRRXRCOJY-VWLOTQADSA-N 561.425 6.187 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865705263 PVRHUQBVHKMICR-XMMPIXPASA-N 527.422 6.307 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707410 WKHJGNMIAXAYGP-PMERELPUSA-N 517.677 6.355 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714138 DNWNCZZHKVBKHX-GOSISDBHSA-N 500.194 5.178 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866668798 DNLKQRQNLCMOMJ-RUZDIDTESA-N 549.027 5.924 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1OC 1866993650 CICBLGHYDARPRL-FTJBHMTQSA-N 503.624 5.513 50 10 KKGE CSCC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867037264 QRUZFFUSWLXGBT-SFTDATJTSA-N 575.579 5.877 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867118021 YDMVUEOAIYSNPX-UHSQPCAPSA-N 559.613 6.565 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NC3CCCCC3)nc(Cc3ccccc3)n2)cc1 1868207215 JWQWZXRKNZSWDC-VWLOTQADSA-N 512.683 5.802 50 10 KKGE CC(C)(C)c1csc(/C(C#N)=C(\O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 1872747388 AECIIYVNUQZXKG-FPLPWBNLSA-N 505.210 6.143 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1OC 1872781825 UHTBLTKTQCRVHW-CAOOACKPSA-N 515.429 6.450 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 1872793151 KWDNKSAWKQBVLO-VCHYOVAHSA-N 513.457 7.060 50 10 KKGE O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915314554 SINGNGLJYFCGFZ-AWEZNQCLSA-N 522.100 6.089 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1sc(Br)cc1Br 1922883848 QCFSBHFXKZHGEY-VIFPVBQESA-N 506.428 6.400 50 10 KKGE Cc1cc(Br)sc1[C@@H](Cl)c1ccc(Br)cc1I 2026210967 FULSRGSAJUGXHL-NSHDSACASA-N 506.428 6.514 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2050317386 CWJCOAHTUKIHDL-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(C)cc1 2053614119 AXQRZWZDMYHOSF-UHFFFAOYSA-N 585.354 5.347 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccoc2Br)c1Br 2081069996 GTCZOIOXDPEJBE-LBPRGKRZSA-N 501.838 6.668 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2111087249 RSNPCHAGAHQIJV-VIFPVBQESA-N 617.220 8.244 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]2CO1 2141470900 MAVGQFCSGXSSPT-UEFRMAIASA-N 538.299 6.442 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 2201078324 MXHSMTMFMOJZTM-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206400421 QUVCLWPUCATMAG-LLVKDONJSA-N 615.154 8.013 50 10 KKGE CC(C)C[C@H](C(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401233 WAVPKCADGVGGLR-NOZJJQNGSA-N 598.837 8.491 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2csc(Br)c2Br)c1C 2213622748 VHYDLJHLPWCOHE-ZETCQYMHSA-N 523.935 7.198 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(I)c2)s1 2224783330 RRAGKRSKMVBYDZ-ZDUSSCGKSA-N 516.036 6.136 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2240995159 CNXHAOUXIFZYLH-GFCCVEGCSA-N 569.289 7.807 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)cc2)c(Br)c1Cl 2268265751 JKOIYZYNHIOHOW-GFCCVEGCSA-N 516.398 6.200 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1cc2sc(Br)cc2s1 2278098951 BNAXHAUVQMOBMR-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE Cc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1I 2278099184 CVAIWXGSYKLZIM-ZDUSSCGKSA-N 528.072 7.123 50 10 KKGE CCCN(CCC)c1ccc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc1 2293968662 VADXPGIEGQUYLR-UHFFFAOYSA-N 539.724 6.080 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 2294187412 LQLHSQYBUNRWGF-UHFFFAOYSA-N 530.191 6.475 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2296645901 ZCYSUKUMNVRFSC-UHFFFAOYSA-N 551.603 5.622 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 2296706111 YHXXOIMXRNIACL-UHFFFAOYSA-N 575.068 7.716 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2297367908 FZLNNRSQAHNHFT-UHFFFAOYSA-N 505.328 5.885 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)sc2c1CC[C@H](C)C2 2297456963 PMCXHERXOMABNB-FQEVSTJZSA-N 523.658 6.598 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1sc(Cl)cc1I 2300954579 ZVCPLIHICDQIHC-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1scc([C@@H](Br)c2sc(Br)c(C)c2Br)c1Br 2303645086 YHENBCKEEPDLCF-SECBINFHSA-N 523.935 7.198 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(F)c1 2313567586 MDTHMYIYAHBACD-UHFFFAOYSA-N 611.455 5.664 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313570814 GTUGYLHBMXHTGW-UHFFFAOYSA-N 577.218 6.797 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C)cc1 2313571261 QYNDHSGJDPICAY-UHFFFAOYSA-N 501.797 7.089 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634453 UEHGSNALDPEZTK-PMERELPUSA-N 508.618 6.610 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)c(Br)nn2C)c1Br 2316833741 FVCIBIVKFUUPHB-RXMQYKEDSA-N 586.767 6.324 50 10 KKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2325382801 AFGUHSXUTTWRCP-UHFFFAOYSA-N 505.665 5.730 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccccc1C 2331491839 QPKAAILGRUBFIT-UHFFFAOYSA-N 517.050 7.822 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2333303928 ZAZLLKYXRAXQDO-XGEHTFHBSA-N 580.778 7.609 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336047472 MERYGJBSMFPXFS-FQEVSTJZSA-N 547.031 7.553 50 10 KKGE CC1(C)COC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336200711 NEIWIUUVSLSHFJ-PWCHPLFNSA-N 540.315 6.689 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2cc(Br)cc(I)c2)c1 2338756484 ZQACURLHGVSOMO-UHFFFAOYSA-N 560.849 6.812 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340062788 DIDTVLFYBGXYBV-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE O=S1(=O)CCC([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CC1 2362227047 ZMRDNANJSYFXHJ-JTQLQIEISA-N 513.448 5.265 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 38684060 JFZVWMKZTQFKML-SSEXGKCCSA-N 528.605 5.775 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38685265 HYHDDOHPTZDPLV-VWLOTQADSA-N 519.941 5.864 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100185689 FVZFPJOTGRJMEB-UHFFFAOYSA-N 552.469 6.044 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101339646 PWSNNZJYKHJELU-UXHLAJHPSA-N 600.675 6.485 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 101368048 IZCOJCNONIBHOC-PMERELPUSA-N 542.632 6.489 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369491 UHEZRGAGXYVTFV-GDLZYMKVSA-N 524.960 6.335 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 101373198 IOBKVQJBCAMIEY-JGCGQSQUSA-N 530.624 6.821 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)oc2c1 101393777 MGOMDFSTAYGPLB-HKBQPEDESA-N 542.591 7.588 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399863 AIQNDMOTVCMVSB-YTTGMZPUSA-N 625.052 7.949 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)c(Br)c1 101603020 VPWKCUVDGKOASJ-UQRQXUALSA-N 530.422 6.535 50 10 KKGE CC(C)(C)c1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101647209 YAFFYTLOXMZCCB-GDWJVWIDSA-N 554.872 5.846 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(F)cc3)nc12 102853077 PXBSPLDABQYZBR-MOSHPQCFSA-N 540.370 5.035 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 103878502 ALARMKJRCNRUEO-ALQBTCKLSA-N 541.482 7.931 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1 103884349 BRWWRMJVVAGNQU-LHLOQNFPSA-N 542.477 6.012 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1ccccc1I)OCCCO2 109865165 WLIGKSVOHFGLTJ-INIZCTEOSA-N 523.990 5.699 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccc(I)cc1 116735343 NAWHPHFWAVMAIA-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 150475267 GOLIPRHVANJESI-KRWDZBQOSA-N 615.640 7.064 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 150498791 FGFASCBIKFOVFL-ATZGPIRCSA-N 638.653 8.090 50 10 KKGE CC(C)[C@H](CBr)COc1c(I)cc(I)cc1I 166208948 ODRURKFDZPTNSV-MRVPVSSYSA-N 634.859 5.546 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)cc1Br 235811951 ZRVDUKQYBBEIKZ-LLVKDONJSA-N 582.775 7.591 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254823458 SHOGUKFRMNJXAY-UHFFFAOYSA-N 500.558 5.643 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254848893 OONXGXVZYJBAOG-UHFFFAOYSA-N 543.708 6.855 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]1OO[C@H](CCCCCCCC)O1 256067471 KYGUWEUFTRFTBP-YEWAGBECSA-O 809.096 10.874 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC 256071231 AZGVUJNTJSDJRE-IWSHAHEXSA-O 948.961 13.551 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)c(F)c1F 398420746 BXHQYMDBGGWSRF-NSHDSACASA-N 540.342 6.562 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C 725405028 HQVQMPTVIQIRLG-UHFFFAOYSA-N 576.722 6.562 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1 725426276 ACAWGDDRASFJOH-MUUNZHRXSA-N 534.628 5.895 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817663 WUWBJKZWDLYUSB-QKUYTOGTSA-N 684.943 5.808 50 10 KKGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c3ccccc32)cc1 1084029959 LLYUXQJFUFBQKD-UHFFFAOYSA-N 560.654 5.206 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccc(C)cc1 1084093606 BUHYWCVHKYYEAT-UHFFFAOYSA-N 572.731 5.682 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccc(Br)cc1 1084149185 WXAUYGNMOOBLOM-UHFFFAOYSA-N 644.393 5.786 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084406933 YLUBZNQVNWHTOE-UHFFFAOYSA-N 546.668 5.504 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C(/C=C\c1ccccc1)c1ccccc1 1084479284 YZPNVCJJMMMBMA-FUAXCYMISA-N 528.244 6.133 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 1084480720 WCTZCDNIPVGOLD-JOCHJYFZSA-N 617.409 5.429 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1O 1084583860 KQVSZHZUHBJWKL-UHFFFAOYSA-N 504.384 5.693 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccco4)cc3[N+](=O)[O-])sc2c1)c1ccccc1 1084626092 WETFDNHPMOYVJU-UHFFFAOYSA-N 543.586 5.965 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 1772745626 DLFZKMOJRXJFCZ-UHFFFAOYSA-N 521.617 5.910 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccc(Cl)cc1 1772754622 LXKZXFAYQGLBGT-UHFFFAOYSA-N 559.888 6.651 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@H]3CC[C@@H](Cl)[C@@H](OC)C3)CC1=O)[C@H](C)C[C@@H]2OC 1848441135 DPLYQMKSGCZWNH-IHOGAJHVSA-N 882.649 7.579 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1O 1865681960 BUKVRPUZYDYGJO-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1 1865687245 MYGAUYUMGNUFCU-MHZLTWQESA-N 530.987 5.838 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688653 XYWNPDHZGGZNNX-WJOKGBTCSA-N 548.687 6.349 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865694587 ZSEPOJTWSYBPSG-JOCHJYFZSA-N 513.425 5.816 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695813 UDYMPXBPHNYXBY-NDEPHWFRSA-N 541.051 6.261 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696749 KAASRUXDGBHXJT-MHZLTWQESA-N 575.496 7.311 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)c1O 1865696849 RVAWOKHQEFVECA-MRXNPFEDSA-N 555.738 5.298 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699630 YUQUDENVWCKKBN-AREMUKBSSA-N 522.008 5.970 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701164 OCIRCBVSVYNHKL-NRFANRHFSA-N 566.253 6.037 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702863 HCYWSLPHLPLFNR-SANMLTNESA-N 514.988 6.083 50 10 KKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704011 KQLYFSGBXMAOEM-XMMPIXPASA-N 527.452 6.358 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704730 CPYQFWSISXNVQZ-RUZDIDTESA-N 510.981 5.916 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707181 QBIINZNKQXZFDQ-MHZLTWQESA-N 522.605 5.459 50 10 KKGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711524 AREYWQGUSJHTKU-HKBQPEDESA-N 541.611 5.952 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712225 SOBCZALPCODAHW-VWLOTQADSA-N 503.389 6.285 50 10 KKGE C[C@@H](Cl)CNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905227 FTSOYXAHFXQRNT-MWLCHTKSSA-N 874.420 5.056 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2csc(COc3ccccc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866595333 UMPZFBNGMKHUOY-HHHXNRCGSA-N 586.695 5.129 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1866995487 JYVCIUWBHBRSEG-KAYWLYCHSA-N 536.072 6.692 50 10 KKGE CSCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867037262 QRUZFFUSWLXGBT-RTWAWAEBSA-N 575.579 5.877 50 10 KKGE CC[C@@](C)(NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207066 GFVIZDSCHZKVNB-CJFMBICVSA-N 532.504 6.084 50 10 KKGE CC(C)c1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231985 ZAYLGTNFVDZVCH-WJOKGBTCSA-N 519.718 8.192 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872753223 MUPOEWFUZVBSEA-RONRAANZSA-N 504.696 8.543 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3)n2)cc1OCCC 1872817859 ALAGEVFOEPGYTH-GYHWCHFESA-N 513.059 7.693 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)c(Br)c(OC)c1OC 1872818169 PUEXNRLQIFMGSX-JXAWBTAJSA-N 507.793 6.202 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1cc(I)ccc1Cl 1904942665 MYBSNARIRSZABW-INIZCTEOSA-N 518.617 5.140 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccsc2Br)c1Br 1922913262 VZXDVZWUZLHRTI-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE COc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924582752 ADMGZRDTFQIHKD-LURJTMIESA-N 525.907 6.590 50 10 KKGE Cl[C@@H](c1coc(Br)c1)c1c(Br)sc(Br)c1Br 1924604767 HTMPRFRRKLAYPU-ZETCQYMHSA-N 514.258 6.719 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1sc(Br)cc1Br 2003649846 OADLQRTUCYDKFG-JTQLQIEISA-N 510.391 6.345 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CCl)c1F)Cc1ccccc1 2034752511 SDXGFJMQAUPISN-UHFFFAOYSA-N 539.898 5.650 50 10 KKGE CC(N)=C(C#N)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(Cl)c1Cl 2042438315 SYLVUHXSSNJTET-UHFFFAOYSA-N 500.455 5.956 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4c(s3)C[C@H](C)CC4)ccc21 2053615056 WNZPZFVYQIAJRS-JOCHJYFZSA-N 539.708 8.313 50 10 KKGE CC(Cl)=CC[C@H](CC=CNC(=O)[C@H](NC(=O)C=CC=C[C@@H](C)[C@H]1CC=C(C)C(=O)O1)C(C)(C)C)O[Si](C)(C)C(C)(C)C 2060405694 AIDDXVULOZKDQT-HCHRDEHUSA-N 621.335 7.471 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1Br 2079392995 OAQUEUWHNYLFNT-NQMVMOMDSA-N 521.938 7.298 50 10 KKGE C1=CC(P(c2ccccc2)c2cc3ccc2CCc2ccc(c(P(c4ccccc4)c4ccccc4)c2)CC3)=C[CH-][CH-]1 2086850157 KFOTYSJZSFSYQE-UHFFFAOYSA-N 576.660 7.624 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1O2 2141468807 NVXCNKPVNWZNMG-QRJBYZQTSA-N 538.299 6.584 50 10 KKGE FC(F)COCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476935 IYGRFEBPWJQPHG-ZETCQYMHSA-N 550.257 6.688 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)ccc2Cl)c1Br 2201081289 FSSLGLHERXJNIH-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)cc1Br 2202350299 CVTAISAZRWNMAK-AWEZNQCLSA-N 595.294 6.963 50 10 KKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397784 MVFRSYXDQLAOHJ-DADVEIPYSA-N 560.252 6.298 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1scc(Br)c1Br 2263623635 QWNVOQANJFIPSA-JTQLQIEISA-N 507.519 7.640 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(I)ccc1Br 2277954654 FIFGAISUCIBKQX-CQSZACIVSA-N 579.295 7.101 50 10 KKGE Cc1cc(Br)c(CBr)c(N(C)Cc2cccc(I)c2)c1 2280265107 YSWUKJDCDGQONY-UHFFFAOYSA-N 509.023 5.893 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Cl)c(I)c2)c1Br 2283572459 DBCZNRXCVAAKKX-VIFPVBQESA-N 560.398 7.272 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 2294619867 DUSQDOMNTIYUIR-UHFFFAOYSA-N 542.227 6.345 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1 2296544429 CJNBMBXOVCPPPN-SZPZYZBQSA-N 564.671 5.278 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 2297461671 AMJVGGHCPAIBJI-UHFFFAOYSA-N 531.410 6.033 50 10 KKGE Cc1scc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 2303643988 LZYVTFVEWLGDKI-MRVPVSSYSA-N 544.353 7.496 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Cl 2313521304 FAUPCRVUYYAMIQ-UHFFFAOYSA-N 558.803 6.468 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 2313567304 INVRGWOSSWWEEX-UHFFFAOYSA-N 508.578 5.158 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N 2313571445 WPIJIBMLAPJAPC-UHFFFAOYSA-N 557.231 6.761 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313730443 UGXQGQNAWWMIRH-UHFFFAOYSA-N 530.249 7.443 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2314532570 LJMDXOBXNVBTKX-UHFFFAOYSA-N 522.561 5.134 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314616914 MUKHLSCMPCVTIN-UHFFFAOYSA-N 512.613 5.991 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 2314617261 UYGZWQQPFHBSOX-UHFFFAOYSA-N 572.621 5.768 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C(C)=C(C#N)C2=O)cc1 2314619758 FABAWLHZOQFGAO-UHFFFAOYSA-N 572.709 6.184 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)c(C)c1 2314737500 PQGLWYVMAGTGFG-UHFFFAOYSA-N 512.787 6.468 50 10 KKGE COC(=O)C(C#N)=Cc1cccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c1 2314770580 KBHCDNIROUFLKF-UHFFFAOYSA-N 500.389 5.591 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2318462258 FJEHMAGAZIJGRJ-UHFFFAOYSA-N 514.629 6.232 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C1 2321721521 YFYOJSGEFHPZRS-GOSISDBHSA-N 506.430 5.670 50 10 KKGE FC(F)(F)C([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2336048247 SJUMYSUJNDSIJA-AWEZNQCLSA-N 506.078 7.205 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(I)cc2)c1Br 2337093015 ZMNYCYGKZBNBHY-LLVKDONJSA-N 583.258 7.093 50 10 KKGE FC(F)(F)C12CC([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363914812 YFXLHOVALYDFNG-VIQWUECVSA-N 506.156 6.576 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(OCc2ccc(Br)cc2)cc1 3094632 WHPYHHCIIOSNQN-WYMPLXKRSA-N 504.178 5.260 50 10 KKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981823 ADPPUQDQHIYOBG-FQEVSTJZSA-N 504.508 7.108 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 32520779 WJTWLMWFSVTAIM-WKULSOCRSA-N 501.608 6.410 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650942 UHBSMYNMFNGBNK-PMERELPUSA-N 522.988 6.285 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38688584 FDUKUJQSGJXDCR-NDEPHWFRSA-N 506.558 6.306 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)c(C)c2c1 38700563 RSNHGMXBODTLQZ-XMMPIXPASA-N 519.384 7.048 50 10 KKGE COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OC 59336361 KEBHRFSYNVCPRO-IZZDOVSWSA-N 503.123 5.161 50 10 KKGE COc1cc(/C=N\NC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccc(F)cc1 97962620 IPCXHSAJXCEMQB-MGDMGSQXSA-N 574.584 5.807 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1Br 100173437 LOIKBVPAYKZDDP-UHFFFAOYSA-N 550.519 5.392 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 101013789 AXOBYQYLEXRBCY-FPRHVESQSA-N 611.724 5.282 50 10 KKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 101115407 BYKSEOKMIBWOGK-LGMDPLHJSA-N 520.467 5.368 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367254 IHNZLKHNQFSCOJ-SSEXGKCCSA-N 534.568 5.720 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1 101367334 PIYTXLDNTQXSMI-NDESMUNGSA-N 565.025 6.765 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 101368989 GRKUDTVIDSSRJA-MUUNZHRXSA-N 541.401 5.977 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCCC(C)C 101375108 OFBHRMJITNMXQU-JGCGQSQUSA-N 556.659 6.330 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 101375629 DMGJKUIBGXYPNJ-WJOKGBTCSA-N 526.633 6.411 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5[N+](=O)[O-])ccc43)c2)cc1 101382133 VHCURAHKHRJFSD-LJAQVGFWSA-N 533.540 5.920 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396134 AUYBTIYXPRFKSN-SANMLTNESA-N 559.416 6.730 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611900 SVVQPDKBOBAIHQ-SAPPSJDZSA-N 558.437 6.251 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1c(Cl)cccc1Cl 101712871 CKCGGJNICXPKMP-IPBVOBEMSA-N 617.121 6.635 50 10 KKGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br)CO2 101953808 OSDHLLMZCUZNFG-NSLUSADUSA-N 591.094 5.267 50 10 KKGE CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 102934569 SHKQZFWVFUCHJD-LDADJPATSA-N 505.983 6.359 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)N(CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2ccc(C)cc2C)cc1 102944713 RNQDAQHBIPUPOS-LHLOQNFPSA-N 543.623 6.092 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 103121063 ICMFAUOZDZCEPW-JSIHEXFSSA-N 556.844 6.307 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400503 CALAFIKKNBSBPP-RTLUFJETSA-N 847.945 6.981 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1 150430971 STZIPJJSWSUCMI-PCYMAAINSA-N 702.302 5.977 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150432001 QPODLBGVBPEQNJ-LJAQVGFWSA-N 661.538 8.762 50 10 KKGE Br[C@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155253366 OEPUJWMPMQIGOR-RYUDHWBXSA-N 658.881 5.975 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724484 HXYREGLLDQLONN-ACHIHNKUSA-N 733.775 5.767 50 10 KKGE CCCCCCCCCCCCCCCCCCc1cc(CO)c(O)c(SSc2cc(CCCCCCCCCCCCCCCCCC)cc(CO)c2O)c1 206704210 OKSTYMKVBKZREI-UHFFFAOYSA-N 815.368 16.490 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214309839 ZFHFINWOOFOBFA-YUMHPJSZSA-N 515.573 5.125 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 217243353 MVFUAFIHMOZIAP-FVDSYPCUSA-N 530.697 6.591 50 10 KKGE C[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 229785766 WSRKTDJYRJVWBN-PMIXRGMFSA-N 512.245 6.787 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1Cl 234995523 LKYIZYDIQSUSRD-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1cccc(Cl)c1 252594358 BRUKHGNEKKHWEA-UHFFFAOYSA-N 527.053 5.928 50 10 KKGE COc1cc(C=NNC(=O)c2cc(OCc3ccccc3F)c(OCc3ccccc3F)c(OCc3ccccc3F)c2)ccc1O 252629263 UCKRWBFNCWYGCJ-UHFFFAOYSA-N 642.630 7.319 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 254290972 FWVMLFGFSARAIT-UHFFFAOYSA-N 544.607 6.801 50 10 KKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254296128 ZBGMMSZHIJWMLO-OPBJHFPQSA-N 594.627 5.407 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccs3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254300677 ICIQXCQBLNCLMV-UHFFFAOYSA-N 519.696 5.934 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1Br 254368996 OGMRFVVUDAJJEK-UHFFFAOYSA-N 597.560 5.648 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1 254440659 JHFDFCLPGDGGSS-UHFFFAOYSA-N 571.699 5.639 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254735314 ZUKGYUXJGMQHNQ-UHFFFAOYSA-N 510.675 7.074 50 10 KKGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 254753732 QZYKNVQNXBVJCI-SMRVTIBZSA-N 641.522 5.664 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C/c2ccccc2)cc1 254873795 RDDCSOUXWHFOHX-QOYHZNDRSA-N 517.427 5.062 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@@H]2Br 256020003 RBCJWUYSJYSMKY-ZZDDWEONSA-N 568.346 6.677 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(N=C2C(=O)N(Cc3ccccc3)c3ccccc32)c1 263622483 MBFVLVBNGDKJKJ-UHFFFAOYSA-N 589.655 6.035 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)ccc1OCc1ccccc1 263627796 ZQOQJMKALVOSMC-UHFFFAOYSA-N 577.662 5.900 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(I)cc2c1OCC2 379939330 BLLDYTFIRXVKGQ-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2sccc2I)c1 380678694 FKXVPTMKWQRZCG-JTQLQIEISA-N 536.852 6.362 50 10 KKGE C[C@@H](Cl)c1nc2c(Br)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705610448 NEAZFICYCXZBSW-HXUWFJFHSA-N 524.890 6.570 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 725383499 XYHHHNZUHCSGNQ-UHFFFAOYSA-N 608.120 5.060 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1083896256 CGYNDNDDEVQWHE-UHFFFAOYSA-N 539.504 6.213 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1 1084019525 PMFZXUNZVWPOGV-UHFFFAOYSA-N 619.253 6.542 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2 1084126943 MHKZCINYZFRTJH-UHFFFAOYSA-N 570.339 5.118 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2Cl)cc1 1084127866 ZEKQQGVLOWTPDJ-UHFFFAOYSA-N 576.889 6.561 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084142210 ZYYVYCGZUDIRQN-UHFFFAOYSA-N 637.562 8.025 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084178977 GWPWCXPBCTYJDZ-UHFFFAOYSA-N 581.094 5.110 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 1084302557 DJDONYOAISPQMC-RUZDIDTESA-N 511.018 5.599 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc(C)c3)cc2Br)cc1 1084337960 CFIUKJQKPQFXFV-AREMUKBSSA-N 569.496 6.098 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084481292 AABBDCXYYCVDNV-KGENOOAVSA-N 554.847 6.076 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc2cc(Br)ccc2o1 1084494355 YJOZECKFXMTAOD-UHFFFAOYSA-N 541.232 7.269 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772746944 BQMKHRPHYQIXBF-UHFFFAOYSA-N 538.988 6.051 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5Br)c(C)c43)coc2c1 1772752008 RNIVXTALBWJIPR-UHFFFAOYSA-N 548.437 6.365 50 10 KKGE C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 1848440937 FLZWFOKGAICKNJ-UNLRJGIPSA-N 651.108 11.529 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686901 DQBDVJUCSVYMBT-MHZLTWQESA-N 500.558 5.933 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694187 RCULTKIJNSCOHM-LJAQVGFWSA-N 573.068 6.872 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)c1 1865694571 XHLBIXSKMRDWLY-RUZDIDTESA-N 512.997 6.208 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)ccc1OC(C)C 1865696927 LLFHPASLYWWPOM-HXUWFJFHSA-N 536.913 5.757 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704147 OLLFAJCGWKXNTB-MHZLTWQESA-N 529.015 6.474 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)Nc2ccccc2)c1C 1866215107 BVFGXNOZGAWVAE-CAPFRKAQSA-N 533.606 5.056 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868301544 RXBSSDOCIBKNJN-UHFFFAOYSA-N 538.746 7.488 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 1872751591 OKJISFWAAJOLFT-LVWGJNHUSA-N 515.635 6.318 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)CC1=O 1872753958 WCDTYRQWXRHCRG-FTFNENMSSA-N 515.679 6.967 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 1872793992 DVNBTXBJZDZZFZ-WGOQTCKBSA-N 522.714 8.766 50 10 KKGE Clc1cc(I)c([C@H](Br)c2scc(Br)c2Cl)s1 1901024739 ZCIHTQSZVSSFRP-LURJTMIESA-N 532.875 6.968 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cccc(Br)c1Br 1923039387 NYIOHTMYSKBBHY-QMMMGPOBSA-N 558.742 7.780 50 10 KKGE Cl[C@@H](c1cccc(Br)c1)c1c(Br)sc(Br)c1Br 1924585532 MUWOZUFIIOUJHW-VIFPVBQESA-N 524.297 7.126 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596737 SJDOLKNWBQQGQH-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2COCCOC2)c1Br 2024260613 UDAURITUBRFWKD-SSDOTTSWSA-N 513.871 5.135 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)sn2)c1Br 2081064101 WDRFTFXGFREIRH-GFCCVEGCSA-N 518.894 6.532 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2097826724 GPVZGXNIJBGUPH-GFCCVEGCSA-N 536.258 7.251 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1ccc(I)c(Cl)c1 2117891720 AUTXZFJNTKFNSO-SNVBAGLBSA-N 505.565 5.058 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2scc3c2CCCC3)c1Br 2130576659 RQEOTGPGQVCZAD-VIFPVBQESA-N 549.973 7.460 50 10 KKGE Cc1cc(C)c(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2138305187 NECHJGPVCWPMDX-LLVKDONJSA-N 531.933 7.445 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2156116732 MOKIKFIEWUSHOS-BLYIZYRKSA-N 557.918 7.687 50 10 KKGE Cl[C@H](CC(C1CC1)C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2206396517 XVICSVCVDHILFX-GFCCVEGCSA-N 550.354 7.843 50 10 KKGE Fc1c(Cl)cccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406312 XWCOBWILQIFLOR-GFCCVEGCSA-N 570.703 7.857 50 10 KKGE BrCCCCCCOc1c(I)cc(I)cc1I 2216962889 WXTDOTWPGXKSTE-UHFFFAOYSA-N 634.859 5.835 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2sccc2I)c(Cl)c1Cl 2217616950 BLTKGVXUQJERGO-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232509772 KLVVUICGFKZIBF-NSHDSACASA-N 542.707 8.310 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CC1(Br)Br 2233038940 IUNJRVFTBXWXSM-RQJHMYQMSA-N 536.408 5.586 50 10 KKGE Fc1cc(F)c(CCl)c(Oc2c(I)cc(Cl)cc2I)c1 2235805543 RBTJNFXCQBOQSX-UHFFFAOYSA-N 540.900 6.359 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2255962474 DLIBYOIQSFDQLQ-MRVPVSSYSA-N 589.287 7.155 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2285941833 POCZNEABGXCEKZ-CQSZACIVSA-N 550.285 7.559 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506754 CQBJGBBFDILHSD-QFIPXVFZSA-N 563.293 7.365 50 10 KKGE Oc1cc(OCCCCCCBr)ccc1/C=N/N=C/c1ccc(OCCCCCCBr)cc1O 2296607102 MZVCUGYLMRBZEC-CZYCKNNWSA-N 598.376 7.219 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2301796875 QFTJSJJAISWWLY-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 2313568574 UVDSTEQTTHNGJF-UHFFFAOYSA-N 665.225 6.237 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570769 FVCIHQYDRGWENY-UHFFFAOYSA-N 546.204 6.609 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593926 WAYXTLUPEJHMNR-FNZWTVRRSA-N 516.066 6.261 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314616975 OFWANCIFRAYXQS-UHFFFAOYSA-N 542.683 6.175 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643238 KMUKUHDICGEHTL-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)cc1 2314646564 CNLLVQWQMYRMKU-NDEPHWFRSA-N 632.742 5.390 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCCC)cc2OC)cc1OCC 2314807975 NRPFFTSPONMNLI-UHFFFAOYSA-N 508.615 5.244 50 10 KKGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254740 VBUKLYBFISXYQU-UHFFFAOYSA-N 515.334 5.504 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)cc5F)cs4)cc3C2=O)c1C 2331286639 TUAIULUWIFPEKX-UHFFFAOYSA-N 513.525 6.456 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(Br)c1 2331335675 DPIAHSNKAVUECE-UHFFFAOYSA-N 513.413 6.516 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1OC 2331340446 DYVFQGNHIGPBLE-JOCHJYFZSA-N 517.651 5.835 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 2331445189 QOBWTAMEABDZRL-UHFFFAOYSA-N 505.640 5.383 50 10 KKGE Fc1cc(Br)cc(Oc2cc(Br)cc(I)c2)c1CCl 2338754391 GYMHYLAGLHUTAL-UHFFFAOYSA-N 520.361 6.486 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cscc2OCc2ccccc2)c1Br 2339645835 LOEDZODTUFBLMO-LJQANCHMSA-N 516.682 7.497 50 10 KKGE BrC[C@@H](NCc1ccc(I)c(Br)c1)C1CCCCC1 2349847352 IVGYOPQYBXDMGH-OAHLLOKOSA-N 501.044 5.487 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360485172 ZAHVIRKFPZZSNL-LBPRGKRZSA-N 556.797 7.123 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nn(C)c(Br)c1C 2365224096 UQHXAXSZAATSNB-JTQLQIEISA-N 533.859 5.948 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2csc(Br)c2Br)c1Br 2365234800 KFADLYPZMJPBIS-VIFPVBQESA-N 612.801 7.599 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2scc(Cl)c2Cl)c1Br 2365237481 TTXQNUFRMWORIT-SNVBAGLBSA-N 523.899 7.381 50 10 KKGE CCOc1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccc5c(c4)CCCC5)c3c(=O)[nH]2)cc1OC 2614498 NIFAPZSQAOFPDT-IPPBACCNSA-N 548.690 5.180 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 14645730 PFWOWCFPVFBEKI-UHFFFAOYSA-N 511.416 5.528 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)o2)cc1 28356306 MSEGYDVTSLZCDP-CPNJWEJPSA-N 505.393 7.073 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NN=C(/C=C\c1ccccc1)/C=C/c1ccccc1 33744286 KWVVOQNULNJADZ-YANFDXRWSA-N 511.419 6.880 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2)cc1 35446173 DWPXRRNZQSFYQT-USHMODERSA-N 524.624 7.281 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38608471 CCMUVMODHZSKCC-AFUMVMLFSA-N 512.993 6.029 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38659956 PWPIHRQHDXSJQL-XDBZFTIUSA-N 514.578 5.418 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 38686381 PYYLTYBKDXGHCF-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE Cc1cccnc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816278 OVUNEAAIDIQFCZ-STBIYBPSSA-N 501.370 5.086 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)ccc1Cl 40823146 MTJPRHWDPCADNT-OVVQPSECSA-N 516.779 5.397 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccccc1OCc1ccccc1 40911717 ROKKIWDQAVQJQX-UXHLAJHPSA-N 515.407 6.224 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 58891453 GVBGVPFKTBAULJ-QGFINPQDSA-N 517.025 6.435 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 58891642 YJDCZFOENPUTAW-WYDFGVIMSA-N 525.443 5.699 50 10 KKGE N#C/C(C(=O)N1CCN(C(=O)C2CCC2)CC1)=C1\SC=C(c2ccccc2)N1c1cccc(Cl)c1 97637646 NPNCZOMVKFOPAL-SLEBQGDGSA-N 505.043 5.098 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 100055034 HDPYGEOVDGTOHV-LGJNPRDNSA-N 532.232 5.628 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 100084181 ZELROCIPIMZYKH-UHFFFAOYSA-N 615.116 5.295 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(CC)cc2Br)cc1Br 100172636 TZAOZSMVWYMPLA-UHFFFAOYSA-N 556.295 5.573 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 100181033 MZKSINWAYCKSPS-UHFFFAOYSA-N 607.137 5.547 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100185827 ZTEPXKLXQKWASQ-UHFFFAOYSA-N 562.686 5.664 50 10 KKGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844198 AZMWTPJALNOOST-ACHOBXPXSA-N 576.289 5.225 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)CC1 101013675 UCAJFUIETIXJKL-PLRJNAJWSA-N 623.760 6.177 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101079329 DTBIOMUFUWMURY-WPWMEQJKSA-N 546.219 5.231 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240851 APSQMMHCTOPYDK-UZEPBSNMSA-N 502.039 5.645 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101340417 QEDPKEQGRUUTSM-AFUMVMLFSA-N 563.545 5.388 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 101361370 JHZCGIVCTFDMGV-GOSISDBHSA-N 600.669 7.165 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 101362160 ZJJHQNMQUITQTK-MHZLTWQESA-N 530.577 5.329 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101375151 RBFITMRUKDPPQA-MGBGTMOVSA-N 570.686 6.836 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 101376256 PLJMCETWPGNOBU-SANMLTNESA-N 533.422 6.455 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101378772 HOLJLWOQAMGRME-SSEXGKCCSA-N 601.486 7.717 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382972 SBWDGCUDAGHQQZ-PMERELPUSA-N 553.014 6.755 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383504 XLLSGJPOVSVQHW-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385027 YYNXVVBVQVSIGM-PMERELPUSA-N 587.459 7.408 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387019 HGEHCWKQWXOXRN-LJAQVGFWSA-N 540.522 5.990 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 101394282 NOSSWCKTZMJGBW-HHHXNRCGSA-N 589.442 6.739 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(Cl)cc6c5C)ccc43)cc2)cc1 101397474 IEQVNHYPHQOWPH-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 101399109 GQCOHNRMIPURES-HKBQPEDESA-N 583.040 6.682 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 102942175 WZATVMBWFDNRRP-QUQDMQBPSA-N 524.499 5.466 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741465 RLBWBWISNXIBLX-IQQNDYETSA-N 607.744 7.474 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)sc2Br)c1 104028829 ZOEMUHCPSJYPAZ-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCC(=O)Nc1ccccc1 105065912 XGFJWBMFFAQKOK-ATZGPIRCSA-N 578.452 6.362 50 10 KKGE CCOc1ccccc1N/C(SCc1ccc(OC(F)(F)F)cc1)=C(\C#N)C(=O)NCc1ccccc1 105423026 SBRGJDVTAWRESU-ROMGYVFFSA-N 527.568 6.381 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 150430580 DYFDNDDWOCWNCV-PNODBXBWSA-N 728.321 5.566 50 10 KKGE Cl[C@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155256538 RURHTVYUFCHLKL-RYUDHWBXSA-N 614.430 5.819 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205661749 PNHIVXQHJXRGNZ-IBVZBZDKSA-N 536.672 7.390 50 10 KKGE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205775503 GEEQCOLORHPYMZ-LYAXJZIPSA-N 588.689 5.073 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 206698491 IQYJRRIHQURUKH-FRFFEPPUSA-N 509.562 5.538 50 10 KKGE Cc1ccc(COc2ccc(/C=C\C(=O)Oc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)cc3)cc2)cc1 206745352 AKQOEYFSYQNJTG-CMCZKJAQSA-N 518.569 6.009 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253570025 NBNRQJWUWKRUCS-UHFFFAOYSA-N 552.748 6.215 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254415571 UOWGPWIDIOOMMF-UHFFFAOYSA-N 648.723 6.768 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)cc1 254626032 BKFZNJJUANWLNA-UHFFFAOYSA-N 523.655 5.609 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 254764232 QOBKYPHYKAEBJF-RUZDIDTESA-N 530.628 6.344 50 10 KKGE COc1ccc(C=NNC(=O)[C@@]2(C)CC2(Br)Br)cc1COc1c(F)c(F)c(F)c(F)c1F 254795672 XJKXLNIMZJEJMD-LJQANCHMSA-N 586.149 5.316 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)sc2c1CCCC2 256017346 GZZCXBKBKISRKF-UHFFFAOYSA-N 542.057 6.200 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OC)cc1 263629907 UXIDUFMOQPRWRD-UHFFFAOYSA-N 614.699 5.245 50 10 KKGE Br[C@@H](c1cccc(I)c1)c1cc(I)cc2c1OCC2 388907003 NTOFUTOEEALWDC-AWEZNQCLSA-N 540.964 5.315 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c(Cl)c1Cl 404839276 JPEKBYZSURFSCE-SSDOTTSWSA-N 548.736 8.371 50 10 KKGE CC[C@H](C)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[Si]1(O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O1 606509886 PKVIDEYDHZFSAJ-MXIHTMQNSA-N 761.260 8.330 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616590420 RALYOFHHSKCHRY-LICKRYOESA-N 662.852 7.227 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(OC)c1Br 705464993 ORHSRKCFGDCWRP-VIFPVBQESA-N 549.904 6.537 50 10 KKGE CN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1 725237950 ASNPTVLUPHXJPW-WIOPSUGQSA-N 594.055 5.950 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725432177 QCNXEHXCOYZWIL-SSEXGKCCSA-N 577.537 6.939 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1OC 1083846956 RMDCHHYIQXSJQC-UHFFFAOYSA-N 521.620 5.165 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1084506016 RQWHGCNEMJNUTN-XMMPIXPASA-N 729.309 5.746 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 1614653463 BVQQROBKBQOKNW-DGRSBENTSA-N 509.675 6.224 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(OC(F)(F)F)c2)C1 1614689735 FCLXEBXGQVHNDY-WMZOPIPTSA-N 505.274 5.372 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746410 FGDLBLSASBGCDY-UHFFFAOYSA-N 509.404 5.592 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)Cc3ccccc3)CCC4)ccc21 1772747356 AXZGSYRSGIYOST-UHFFFAOYSA-N 518.617 6.367 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Cl)cc3Cl)CCC4)ccc21 1772749014 VPIPSMWMQWSQFL-UHFFFAOYSA-N 573.480 7.745 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 1772755507 KAOFZDOZBFVBKO-UHFFFAOYSA-N 529.862 6.553 50 10 KKGE CC1=CC[C@@H]2C[C@@H](C[C@]3(C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3OCC(=CC=C[C@H](C)C1)[C@]32O 1848441228 NCHPJYOOHOUZTE-NGJYGPQHSA-N 727.068 8.117 50 10 KKGE CCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665386 DCIQOWDTOXIBKI-SDIKKSMWSA-N 505.227 9.347 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685529 JZEJNXCATMQQLI-QHCPKHFHSA-N 500.961 5.926 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865696681 QDPIMKIGHWKQSU-AREMUKBSSA-N 562.592 7.230 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865696715 QLGJPGPYCUKLIM-GDLZYMKVSA-N 508.622 6.520 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865700017 IVWGFMIXSRXVNL-SFHVURJKSA-N 504.299 5.956 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701304 RVMXIXVWQRXWPF-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703173 OYFSZSDUFVSUNV-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703673 YSCJCSFPFBBQKC-NDEPHWFRSA-N 521.621 5.724 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710407 XHEQRWAXKCMECG-XMMPIXPASA-N 557.950 5.099 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714476 LNVMFYGJUHQDOU-HSZRJFAPSA-N 547.840 6.241 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866776880 PPZHYHSKRGTFTQ-FQLXRVMXSA-N 539.632 5.993 50 10 KKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H]1C 1868544464 GJPRAIYSFFCKIE-FGZHOGPDSA-N 530.742 6.303 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)nc2c1 1872728820 VXJTZJKPRGDEDO-LICLKQGHSA-N 536.371 6.081 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2cccc(Cl)c2)cs1 1872748165 LJLMNNQSEAPKDH-MNDPQUGUSA-N 510.240 7.531 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCC(=O)N(CC)CC 1872782885 VQXPXZGJMCNGGS-MFKUBSTISA-N 511.647 6.673 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873795641 VDXMVAXGSLIHJA-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1c(Br)cccc1Br 1915186906 PKZOWONKEVKMLG-LJQANCHMSA-N 502.088 6.387 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCc3ccccc32)c1Br 1924599685 KRVUIKYDRFCGEO-ZYHUDNBSSA-N 543.944 7.592 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCC23CC3)c1Br 1924612602 MRXXOPSNJTVXNW-SVRRBLITSA-N 507.911 7.052 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1Cl 2048155390 JREGOXBWWKOQNU-GSVOUGTGSA-N 607.185 6.669 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(I)sn2)c(F)c1F 2056497056 QTIQNIOTZAZAAP-QMMMGPOBSA-N 512.914 5.412 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(I)c1 2086139364 NRYROUQRHUHQKP-QMMMGPOBSA-N 694.644 7.887 50 10 KKGE Clc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1Cl 2142279689 SYYQBCPTQMKBSJ-LLVKDONJSA-N 534.844 7.039 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2142290210 ZGODLYFAZOJWIM-CQSZACIVSA-N 560.849 6.309 50 10 KKGE FCCOc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2189519870 ZZTNKFOGXMSHLV-SNVBAGLBSA-N 507.444 6.759 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c(Br)s1 2210636277 VAFFFIFSUOLCRH-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Cc1sc([C@H](Br)c2sc(Br)c(C)c2Br)cc1Br 2213747126 SXKZPROVPUZKTG-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2C[C@H]1CC1(Br)Br 2224802799 FUNGLVFCMCZPEJ-ZCFIWIBFSA-N 522.381 5.025 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)s1 2233021699 OCCFYQNHICLOKH-CYBMUJFWSA-N 547.932 7.056 50 10 KKGE CC1(C)[C@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234056628 JABNSXIBWFCVJN-RTBURBONSA-N 512.673 6.857 50 10 KKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234061589 VIQNASKKJLUDNS-ZBFHGGJFSA-N 511.689 6.068 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2sc(C)c(Br)c2C)c1Br 2234465025 SMMUKCSAPXVKBJ-CQSZACIVSA-N 501.509 7.597 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccsc1Br 2259999092 LJRYQFROUYLGOG-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2I)c(C)c1F 2282887290 DAQXLOBTBOMJCQ-AWEZNQCLSA-N 515.961 6.433 50 10 KKGE COc1c([C@H](Br)c2cc(Br)c(Br)s2)cc(Br)c(C)c1C 2284591420 QPAWJLIUJNBCSL-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(I)c1 2288352198 FVQXKBDFEGWRGP-GFCCVEGCSA-N 540.342 6.562 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198182 FZSOVNQOKWQEOQ-NRFANRHFSA-N 516.381 5.468 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2295482982 MIWVGRLXTBZQMU-UHFFFAOYSA-N 612.038 5.608 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)cc2)o1 2296495450 LSERKMGXMCAIGA-UHFFFAOYSA-N 537.424 7.704 50 10 KKGE CC(C)COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 2296798360 IQNMYUPVUSFZBQ-UHFFFAOYSA-N 521.598 6.859 50 10 KKGE Cn1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2299503403 FLAXMSROIZUURV-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE Cc1sc([C@H](Br)c2sc(Cl)cc2I)c(C)c1Br 2300948213 AUIOVWAAYDQABK-VIFPVBQESA-N 526.484 6.931 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12 2313541025 LJLBUWCOKMNRKX-UHFFFAOYSA-N 562.363 7.004 50 10 KKGE Cc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3)o2)ccc1Br 2313548753 FCBJSXQRFXJVLP-UHFFFAOYSA-N 500.190 6.634 50 10 KKGE Cc1c(Br)ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3C)o2)c1C 2313549540 YXWCKEBAAXLABN-UHFFFAOYSA-N 528.244 7.251 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 2313556004 IMRDZXMJPSPUPA-UHFFFAOYSA-N 587.474 5.531 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592103 LYEFGRTZZOHZIE-RUZDIDTESA-N 536.484 7.182 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314609952 AONCGFQLEKVXHE-UHFFFAOYSA-N 550.703 7.055 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 2314634057 HLSTZUFJYVHCPY-HKBQPEDESA-N 500.554 6.103 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634408 OVXZRSMQTKMMED-WJOKGBTCSA-N 593.507 7.798 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OCC 2314807984 OJIYFPJOGYJWQO-UHFFFAOYSA-N 506.599 5.323 50 10 KKGE COCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 2315100834 TYQVYWLRZHHABM-CYBMUJFWSA-N 502.009 5.746 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)cs2)c1Br 2339657133 VDJMFQNTNCPDBJ-LLVKDONJSA-N 533.905 6.837 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2361193168 XUOSHXQQRGSCGZ-ORYQWCPZSA-N 500.221 7.680 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228338 NHMMFQFDIMXCQN-CPFXQGKDSA-N 503.353 7.029 50 10 KKGE Cc1cc(Br)c(CCl)c(OCc2ccc(I)c(Br)c2)c1 2377617620 WKBODWHQIPVOHD-UHFFFAOYSA-N 530.425 6.442 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 38654857 APVPNOSIJAQBBL-XMMPIXPASA-N 505.914 5.068 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660800 YRVJZPIFAFIWCL-PMERELPUSA-N 520.541 5.690 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccccc1Br 38678526 VLXOTBJYXUWGAT-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 38683911 QNIUCOOTDLVZGN-SSEXGKCCSA-N 528.605 5.694 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCc6ccccc6C5)c(C)c43)coc2c1C 40826714 TVNNPISCXJPLPU-WGPBWIAQSA-N 509.606 5.549 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 40869993 JFIYEDZKDLMOPB-WOQXGXMJSA-N 507.373 5.844 50 10 KKGE CCN1/C(=C/C=C/C2=[N+](CCCCCC(=O)NCCSS(C)(=O)=O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 94303215 OZQNXZVLPWHTPY-UHFFFAOYSA-O 769.022 5.183 50 10 KKGE in-vitro Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 100055219 QSMWFPMDWGBGIF-UHFFFAOYSA-N 518.205 5.027 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100096120 ARWKBPVWBFYOMZ-UHFFFAOYSA-N 550.247 5.093 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 100236181 WJMCAABPHWXUHO-XACFZUKVSA-N 590.858 5.952 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113200 SAMJKPHXNDDBGP-OCSSWDANSA-N 535.320 5.487 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101244009 MDGHTAOWJJHQAL-FFPXFJIJSA-N 565.617 6.408 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101337092 XGNWTHUSTNGEHP-YEFXCMPDSA-N 605.094 6.543 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101377203 GDIYGEUNBDGVSR-UGDMGKLASA-N 540.660 6.970 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 101377869 CDUROYRKDOQNGK-NDEPHWFRSA-N 527.577 6.381 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)oc2cc(Br)ccc12 101391179 KNBWBCXHEZXRJJ-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101393094 NNXJAFSLZOVUHE-MUUNZHRXSA-N 542.563 6.505 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396507 RNNQIQIIEKAVEQ-RUZDIDTESA-N 613.950 8.868 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609890 BGVFLYSRTIONMA-AWQADKOQSA-N 528.608 6.949 50 10 KKGE N#CCS/C(SCC(=O)c1ccc(Br)cc1)=C(\C#N)C(=O)c1ccc(Br)cc1 101669624 BAZLQXBGNSFEER-JZJYNLBNSA-N 536.270 6.002 50 10 KKGE COc1cccc(N/C(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)=C(/C#N)c2nc3ccccc3s2)c1 102930970 UTJZVUQTADTNMU-UPALJVGPSA-N 553.694 6.864 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1Cl 103881217 SUIAZPAKFYHVAO-FNTLCPBMSA-N 590.123 8.186 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 110557187 ZAOSSMUXDGLQMV-LYBHJNIJSA-N 567.671 5.268 50 10 KKGE COc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(OC)cc1Br 134289240 GWWFZSBULLDQSH-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431607 CHEALDIUGUOTKO-AREMUKBSSA-N 738.810 9.273 50 10 KKGE COc1ccc(COC(=O)[C@@H](CSSC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 199051959 RZBPKJZEGIUELJ-HHHXNRCGSA-N 551.730 6.826 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 206234950 PPCYQMSLOPHXCT-SILNSSARSA-N 540.667 5.457 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 233780066 UPECACTTYWRHFH-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE C/C(C=NNC(=O)COc1ccc(C)c(C)c1)=C/c1ccc(/C=C(\C)C=NNC(=O)COc2ccc(C)c(C)c2)cc1 254819392 WPAOFQKWYJAEOY-SXXTWPAESA-N 566.702 6.089 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1 254843726 LHOGWDWDAZIPRF-UHFFFAOYSA-N 520.614 5.304 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1OCc1ccccc1 254844311 YDBACQSPJYMKRP-UHFFFAOYSA-N 506.562 5.590 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(Br)c(O)nc2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 256836028 XZYGEGFEDTXIDM-ULQDDVLXSA-N 535.628 5.411 50 10 KKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312893923 WWEGFQCMZJZMMQ-PWSUYJOCSA-N 515.027 5.222 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-] 504352885 TUUHVVPLIGLLEQ-ZDCRTTOTSA-N 686.304 13.559 50 10 KKGE CCCCCCCCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCCCCCCCC 504419022 NWQJIFWCWIWJDB-GDLZYMKVSA-N 531.262 10.082 50 10 KKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1ccc(I)c(Br)c1 721572745 MZXICQXLSPJBMP-LLVKDONJSA-N 510.951 5.641 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4cc(C)cc(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc1 725380570 XMGKYLADPIWHDR-CPEGRYNBSA-N 553.728 6.690 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 725383702 RXSSFVVZMCYIEQ-UHFFFAOYSA-N 562.091 5.303 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)c1 725401472 ZFWHWLFOVROCOA-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CC[C@@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 725432661 KASDHRXLYQOAKZ-MTGFFNEWSA-N 810.466 5.719 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 1083932406 RWGWOHZVUOMSSU-DEOSSOPVSA-N 608.302 6.292 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1083988412 ZKTGLBCDYSYJEQ-HYARGMPZSA-N 672.317 5.587 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc(Cl)cc3)c2C)cc1C 1083989099 CNHDRQXGXFQOAR-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 1084329513 JTERHXXPHPZZDO-GRSHGNNSSA-N 585.252 6.861 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)c1 1084358876 RABHHKUPZZOTRH-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084613992 KYWXRTYUEVDGHZ-UHFFFAOYSA-N 636.479 6.937 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1 1084634646 SLOSBQHQHFSKES-UHFFFAOYSA-N 619.143 5.953 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653471 GISUCGCJVLMBEE-ZXUPNMPQSA-N 550.511 6.914 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772755101 NAJXBPLPYXUPLI-UHFFFAOYSA-N 504.077 6.284 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)ccc1O 1865681811 XMURJAMRJYKJFI-VWLOTQADSA-N 528.996 5.583 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688078 IMKNAVXNNOEENM-JOCHJYFZSA-N 512.532 5.816 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865688608 WLXVOZGHZORSIV-GDLZYMKVSA-N 520.633 5.998 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695221 NADQFRBIWINZFY-NDEPHWFRSA-N 559.041 6.401 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1F 1865701654 ASPKTSJUEWXXPQ-INIZCTEOSA-N 527.703 5.723 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703102 MYXJFXVRZLIYOE-HSZRJFAPSA-N 513.425 5.968 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703565 BIRJEOVDOYQKNO-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711636 DGLHSFKMNHBTQB-HKBQPEDESA-N 548.687 6.868 50 10 KKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1c(Br)cc(Br)cc1Br 1866130717 IVVCPXIEPYLGJQ-ONNFQVAWSA-N 563.869 6.282 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433880 TVQQBYVQGLSTGR-UHFFFAOYSA-N 566.134 6.960 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)n2)cc1 1868544221 ATDBBYTVLFUFCG-LJAQVGFWSA-N 564.734 7.316 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 1872756527 NVTBNYOWFIRYBX-FLPVWEGSSA-N 511.814 7.048 50 10 KKGE C[C@@](CCl)(CI)OCc1ccc(I)c(Br)c1 1904373762 KLEKNNONFOQSBM-LLVKDONJSA-N 529.381 5.003 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCOC[C@H]32)c1Br 1924570146 FQIXKTITJFEHGY-UAKXSSHOSA-N 509.883 5.754 50 10 KKGE Cl[C@@H](c1sccc1Br)c1c(Br)sc(Br)c1Br 1924580583 SVEMDKXRTWUSJI-ZCFIWIBFSA-N 530.326 7.188 50 10 KKGE Fc1c(Cl)cccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924591374 QLRWRKOBILLFRK-ZETCQYMHSA-N 542.287 7.312 50 10 KKGE Clc1sc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2004901778 CWZSPZMQSMOSDJ-RXMQYKEDSA-N 520.320 7.779 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Cl)cccc2Br)c1Br 2050316986 AYRWCIBVGWVCGU-JTQLQIEISA-N 538.324 7.482 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=Cc3ccc(-c4ccc(Br)cc4)o3)c2C)c1 2053611809 SZXGJDPMJWCTRL-UHFFFAOYSA-N 587.426 6.480 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)cccc2Br)c(Br)c1 2083319875 CXMMPNZIYAWKRW-ZDUSSCGKSA-N 562.719 7.221 50 10 KKGE FC(F)C(F)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494557 DKLHYISCCAYWSZ-SSDOTTSWSA-N 542.184 6.917 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2136383551 GVHCLRZLZYEDGA-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE BrCC(CBr)(Cc1cc(Br)sn1)c1ccc(Br)cc1 2139781359 VEXWPABFEBEIRQ-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCC1 2141472050 ZGMPFFLXTNBFFD-CYBMUJFWSA-N 582.794 8.143 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185506038 ASNZRWJLBCGRFU-RBUKOAKNSA-N 514.689 5.477 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1cc(Br)ccc1I 2203814931 OFNVQZQPSPUPSE-CQSZACIVSA-N 530.425 6.461 50 10 KKGE FC1(F)CCOC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396990 CWKZRRANNLBPCD-SSDLBLMSSA-N 606.719 6.844 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400864 TWBIZZAXPQVDDT-NSHDSACASA-N 631.609 8.528 50 10 KKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2)cc1I 2257367144 JUIKHLUOSZHJTD-OAQYLSRUSA-N 509.181 6.363 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1cc(Br)sc1Br 2263617108 BWSAQFXVAVIIHF-SNVBAGLBSA-N 507.519 7.640 50 10 KKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277960326 ZWAGUIMZRHSNRB-CYBMUJFWSA-N 515.840 6.792 50 10 KKGE Fc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2288343982 DXBZKMGEIXEHKS-LLVKDONJSA-N 537.793 6.876 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)c(Br)c1O 2294171969 NOLCRUNCXDZYGA-UHFFFAOYSA-N 533.220 5.063 50 10 KKGE CCOc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2295998935 KSNZDNXMLBNALV-XMMPIXPASA-N 504.011 5.804 50 10 KKGE CCOc1c(I)cc(I)cc1C=C(C#N)c1nc2ccccc2[nH]1 2297320562 SQVRWAOPSWEXMQ-UHFFFAOYSA-N 541.130 5.235 50 10 KKGE O=C(CCCCCCCC(=O)NN=C(C=Cc1ccccc1)c1ccccc1)NN=C(C=Cc1ccccc1)c1ccccc1 2297548889 DFFZVOLNHOLTLS-UHFFFAOYSA-N 596.775 8.185 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297551497 ODJCIRRWUHYJFK-UHFFFAOYSA-N 546.299 6.501 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 2313518852 WRVRJULHDWWCSF-UHFFFAOYSA-N 603.254 6.577 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521458 PIYDWQXRFVOOGZ-UHFFFAOYSA-N 525.830 6.304 50 10 KKGE Cc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1I 2314452383 MQNFFGZMYMQDDG-HXUWFJFHSA-N 572.078 7.425 50 10 KKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2314482460 LMXICJNSUFDLPW-UHFFFAOYSA-N 511.541 6.660 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592265 PFWPIUJKVWIKSJ-NDEPHWFRSA-N 509.675 6.800 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314592506 VVUBLRKWFDUBJD-GDLZYMKVSA-N 539.701 6.801 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616723 IFRLZJFBKRIONT-UHFFFAOYSA-N 668.725 7.110 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314619023 YIYVRECUQJQSMA-UHFFFAOYSA-N 566.617 6.504 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646647 HVJQOUCDOFRZLQ-LJAQVGFWSA-N 632.742 5.635 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2331443839 CWIWCVKQKSPQKC-UHFFFAOYSA-N 510.240 7.351 50 10 KKGE Cc1ccc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362251803 PHCFONCBTCVOMR-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Cl)c(C)cc1Br 2363261671 VDOYHTZCTCBANJ-OAHLLOKOSA-N 501.509 7.672 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1F 2365596988 CFEMOOSNLXRZLV-NSHDSACASA-N 540.342 6.609 50 10 KKGE Clc1ccc(CO[C@H](CI)c2ccc(Br)cc2)c(I)c1 2365634872 ACUWZMBKMCTFGR-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE Cl[C@H](C[C@@H]1CC[C@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2367951207 MSLSLVGBMUZTOH-HOTUBEGUSA-N 550.354 7.843 50 10 KKGE COc1c(F)cc([C@H](Br)c2ccc(I)c(Br)c2)cc1F 2370436050 BSMOSGNILOQPAR-CYBMUJFWSA-N 517.933 5.825 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)c2)cc1 35446181 XBWSXDSBBVSXQL-ZXVVBBHZSA-N 502.618 6.346 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38683715 OUYNAPFFGKPVDQ-LJAQVGFWSA-N 516.553 5.429 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5)ccc43)cc2)cc1 38686282 WPUUGVKPUHQNIL-HKBQPEDESA-N 518.569 5.777 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 38688615 KJMMYRMRISYIPP-RUZDIDTESA-N 500.482 5.335 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1 40811807 MFYSDFDBKHDIME-VFCFBJKWSA-N 510.388 5.472 50 10 KKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c1 40944675 KBHCDNIROUFLKF-QGOAFFKASA-N 500.389 5.591 50 10 KKGE FC(F)(F)C(F)(F)CCCSCCCCCCCCCSCCCCCCCCCBr 77312237 KFJVBLRQDLRGLY-UHFFFAOYSA-N 557.617 10.287 50 10 KKGE in-vitro CCCCCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97914765 KNRXXCLBHMSXQG-LMXSBEAKSA-N 531.181 7.340 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 100049192 ZLDIOZUYKFZQIH-SMVADLPDSA-N 596.298 6.135 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 100154422 GZEAJUZXOWXXSE-MRXNPFEDSA-N 526.486 5.446 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212957 USIAEGVVHWGRQA-LJQANCHMSA-N 592.515 5.327 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 100231878 GOKANFQLKXXXEW-GXZQEHIMSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 100235342 XSWMSBWAOTZYBF-COXVRVBQSA-N 610.332 6.706 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100310109 HDLWJZXJHHVLRA-BOPFTXTBSA-N 567.505 6.582 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245400 BMWVXLLOHHABBB-RAMZYJDASA-N 502.039 6.276 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101335337 DDZASERGJYHIPP-MTDXEUNCSA-N 562.601 5.496 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 101376773 YLZVCRCGSAZQRS-MHZLTWQESA-N 530.577 5.329 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 101377676 AIEFTUGDCBPYCM-NDEPHWFRSA-N 500.570 6.612 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379672 IBYSOUMPGCCNDX-XLYKILBFSA-N 569.444 7.409 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101606998 ILRIJNIBMROONF-MUGXBBEHSA-N 550.615 5.738 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610369 KOQSJXFJEUTHMI-JGRMKTMXSA-N 535.600 5.600 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 101766246 RBFIFBDZBNLACX-WKULSOCRSA-N 529.862 6.508 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)cc1 102349451 HGZUJWKNQNDSBZ-UYRXBGFRSA-N 545.355 6.991 50 10 KKGE CN1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)CC1 102834566 DHJWFGOONIRWDT-PLRJNAJWSA-N 538.051 5.453 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1 103796281 HHTQIGDJMRHVJB-KKMKTNMSSA-N 593.190 6.282 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 103876576 BSIHSHRZLXOJBC-HASSKWOGSA-N 577.515 8.526 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl 103879856 NGGJCBYJYNNSCI-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1 104768857 VVIULUMBAPFJDH-STBIYBPSSA-N 565.497 5.023 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)c(C(C)C)cc1Br 104803571 KCWFFWIAJJFDMO-UHFFFAOYSA-N 540.483 5.262 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(C)cc2Br)c(Br)c1 150344270 KVORCJBLTRGRSV-UHFFFAOYSA-N 642.438 9.132 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430556 LZMDFIMGEFITHM-MGBGTMOVSA-N 655.534 8.772 50 10 KKGE COc1cc(C(=O)Oc2ccc(CNNC(=O)CCCCCCCCC(=O)NNCc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 150446206 WCCHCTNOHUPAMZ-UHFFFAOYSA-N 830.932 6.239 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Br)c1 150498707 ATZGTSAFAZQHHI-IURWMYGYSA-N 695.886 8.209 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=O)=C1C 201290131 ZWPIZTGCEXKIMJ-TWXQHZDHSA-N 560.863 10.828 50 10 KKGE Cc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Br)c1 216507120 ZNYPKEGBYKZOPC-GFMRDNFCSA-N 515.455 5.511 50 10 KKGE CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 229785780 QNVVTVBFHJPOJL-KLZTUXMASA-N 527.260 5.692 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)c(Cl)cc1F 235857321 GXOBUNZSAAQWSW-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2cc(Br)sc2Br)c1 236051537 RWVZYKRSYOSMQT-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Clc1cc2c(c([C@H](Br)c3cc(I)ccc3Br)c1)OCC2 236084291 DSPYZKZBWJULTH-CQSZACIVSA-N 528.409 6.126 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(I)c1 236171779 NCZLKHDHTOPFLS-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2 254308683 LQVZUCKVQUIOTG-UHFFFAOYSA-N 541.676 8.295 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1F 254379746 IRSGBIILQUWPTR-UHFFFAOYSA-N 522.668 6.452 50 10 KKGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 254383133 ACQBLMQNBDONCG-UHFFFAOYSA-N 628.552 6.527 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCc3ccccc31)[C@H]2Br 256019023 GZARDUOORNEQQO-KKXDTOCCSA-N 506.076 5.262 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1cccc(C)c1 256028476 OUODSTOMDSDDGQ-UHFFFAOYSA-N 597.560 6.496 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(I)c2)[C@@H](CBr)C1 382710579 YBTBXXZMXGKVAF-FUHWJXTLSA-N 500.174 5.038 50 10 KKGE BrCC(CBr)(Cc1ccsc1Br)c1cccc(Br)c1 388749326 NSJUNPAMBRNKKS-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE CC[C@H]([C@@H](C)OCc1ccccc1)N(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 503898171 MILMVSZEAFFKIO-OOWIMERYSA-N 603.764 6.376 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591405 YXADDVIQROVGOJ-NQQQLTFYSA-N 630.892 6.196 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4[C@@H]3CC[C@]23O[C@H]13 685945415 MVUFIYSXHIHYFS-DFJRAWPJSA-N 534.974 8.941 50 10 KKGE COc1ccc(N2CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)cc1 725237876 OEXSJJTXOWIBEN-DEOSSOPVSA-N 552.018 5.437 50 10 KKGE CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 725240270 UQQZSVTXSVMGOO-UHFFFAOYSA-N 518.788 5.897 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 725383573 UXDWJUAOAWNZMZ-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@@H](OC(=O)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817716 YXADDVIQROVGOJ-OOYIDZMOSA-N 630.892 6.196 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccccc1[N+](=O)[O-] 1084052452 AHTYVKTXTMZXCR-UHFFFAOYSA-N 524.411 6.231 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 1084125252 DHFSQBLUKPLTNN-UHFFFAOYSA-N 542.227 6.609 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C(C)c2ccc(F)cc2)cc1 1084256032 OBDNQYQKFXZDOH-UHFFFAOYSA-N 531.609 5.384 50 10 KKGE O=C(NN=Cc1cccc(Br)c1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3cccc(Br)c3)cc2)cc1 1084528052 AKIXTGFMTGJSBG-UHFFFAOYSA-N 668.367 5.572 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084639719 FQQGKQWWIQWUDN-MHZLTWQESA-N 620.371 7.426 50 10 KKGE CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)OOC(=O)[C@@H](C)[C@H]2CC[C@H](C[C@@H](CC)OOC(=O)[C@@H](C)[C@H]3CC[C@H](C[C@@H](CC)OOC(=O)[C@@H](C)[C@H]4CC[C@H](C[C@@H](CC)OO1)O4)O3)O2 1615948738 QWCOEKSAEDVQDJ-QDGSRBMDSA-N 857.044 7.309 50 10 KKGE CN(C(=O)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615950899 UCWRTIVZOWFFGW-OKKJRYGESA-N 666.500 7.310 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743948 LXSDYJMDRYCTHS-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865689620 UOHFSWYSBHLDFN-NRFANRHFSA-N 549.812 5.888 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865690141 JPUXVXTXBKMYTA-OAQYLSRUSA-N 500.496 5.876 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865692214 CMTRIQLANDTZPE-IBGZPJMESA-N 502.468 5.105 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695114 KHTCWWVPUJDZLM-HHHXNRCGSA-N 579.915 7.641 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCCCc3ccccc3)c(OC)c2)cc1 1865696025 BHUOOKKCQWDYCD-LJAQVGFWSA-N 522.605 5.428 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702614 BZHUTAXILDEMGT-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711953 LXWPSKPZRGKKFH-VWLOTQADSA-N 527.422 5.994 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(-c3cccnc3)n2)cc1 1868566009 UFKKUWLQYDLNTE-UHFFFAOYSA-N 532.677 5.701 50 10 KKGE Clc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 1922944295 YIZQCIONFPBZIL-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 1924570366 ITVSRNBMDHSEFS-BYULHYEWSA-N 521.938 7.298 50 10 KKGE CCC(F)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780313 QQEPRMCEOAJTRB-SECBINFHSA-N 564.682 7.218 50 10 KKGE N#CC(=Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(C(=O)c2ccc(F)cc2)s1 2038162719 POPJDPLLIRLDGF-UHFFFAOYSA-N 501.892 7.040 50 10 KKGE O=S(=O)(N=C1C(Br)=C(Br)C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@@H]1Br)c1ccc(Cl)cc1 2053622327 UVNNXZBWWIJGNO-ZFWWWQNUSA-N 772.944 6.495 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1sccc1I 2082859582 SIQWYEMMQVZFID-SNVBAGLBSA-N 522.427 6.262 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085493410 BOUFVFDFIOARAR-VHSXEESVSA-N 532.242 7.062 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(Br)c1 2092331805 XZOMLUDFSARNKJ-CYBMUJFWSA-N 513.849 6.467 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 2109670729 VRANSCAYOFIDRC-JTQLQIEISA-N 509.872 7.026 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Br)cc1I 2142287655 FNELZXKUCTXIKJ-JTQLQIEISA-N 550.016 5.167 50 10 KKGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2Br)CO1 2179858973 WKMYSAWFDQNCOY-KRWDZBQOSA-N 517.283 5.102 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)c(F)c1Cl 2201618070 HPDJHJLXGZPODM-LLVKDONJSA-N 509.797 7.281 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2(CC3CC3)CCC2)c1Br 2206401575 YBLMBEDWFSPHRJ-CQSZACIVSA-N 594.805 8.143 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206401588 YGRMDIJFDFDKFF-SNVBAGLBSA-N 615.154 8.013 50 10 KKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408707 LLALMJXKFZERRC-CQSZACIVSA-N 611.191 8.136 50 10 KKGE CC(C)N1C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216395386 QNYZRLGEEHEYNQ-BQBZGAKWSA-N 510.915 5.607 50 10 KKGE COc1ccc([C@H](Br)c2cccc(F)c2I)cc1I 2269546235 NOZQNNDOOUDTPA-ZDUSSCGKSA-N 546.943 5.528 50 10 KKGE COc1c([C@H](Br)c2cccc(I)c2)cc(Br)c(C)c1C 2284587957 FKEZAGXBSFQRQI-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2295268332 XMZNFOKQDBPROW-CYBMUJFWSA-N 543.944 7.592 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1 2313568621 XDZWMCPZENBRRH-UHFFFAOYSA-N 545.602 5.281 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(F)cc1 2313571536 YMKKWOGTPQOOFA-UHFFFAOYSA-N 525.407 7.384 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2314489476 QFBALOWOZUATQI-UHFFFAOYSA-N 519.948 6.800 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2314496735 DTJOWVCRLXEGSF-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)nn(C)c1Br 2314502778 LUSVYZPUZZKNFN-KRWDZBQOSA-N 529.070 6.317 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593104 HNMHANWOMUCLRN-VWLOTQADSA-N 546.490 5.754 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 2314772594 MYPLOMXIFSJCOQ-UHFFFAOYSA-N 568.895 8.063 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1C 2316837674 KPYAATAZCRNELM-ZETCQYMHSA-N 521.898 5.870 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2331390254 SYUWOOZVIBYLFS-UHFFFAOYSA-N 518.866 7.768 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 2331489202 IDIGTXYCTDRCSO-UHFFFAOYSA-N 521.436 7.206 50 10 KKGE Fc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Br 2336083627 LPBGPTMEUFJNRA-FQEVSTJZSA-N 502.580 7.397 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337088092 HVVKWVQWFCPVDA-JTQLQIEISA-N 556.314 7.621 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1csc(I)c1)CCCO2 2343581219 SEPAIJVLGWGZJQ-CQSZACIVSA-N 514.020 5.925 50 10 KKGE Clc1cc(Br)c(CC(CBr)(CBr)Cc2ccccc2)s1 2372272666 UVYSUUWSFHSQGM-UHFFFAOYSA-N 501.509 6.725 50 10 KKGE COc1cc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC 1237021 ZWMMLLSUGJFKRC-KAMYIIQDSA-N 540.395 5.681 50 10 KKGE N#C/C(=C\Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Br)cc1 2561522 GIYRYYUJDIBNIX-KGENOOAVSA-N 523.330 6.511 50 10 KKGE CCCCOC(=O)c1ccccc1C(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 27472319 JORRHRVPESAREO-UHFFFAOYSA-N 522.601 5.258 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccco1 35521245 LUAVFTLRGJQOKM-KOEQRZSOSA-N 500.558 5.935 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685511 QTNXZVALBHXNBK-IIMAJNMQSA-N 526.633 6.409 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCCCCCC)c(OC)c2)c(OC)c1 98027968 VDIIPHILKVXDFT-WMCDJEJZSA-N 518.610 5.491 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 100235463 RWGWOHZVUOMSSU-ZZJXEYPFSA-N 608.302 6.292 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccccc1 101012393 IYOWMNSFNFLNRS-FSGOGVSDSA-N 552.055 7.110 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245418 RYMLUSVJTSYDDS-NNHPPCHPSA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101336184 ZUDQLHFTBPTJCI-ADIMLFFHSA-N 536.632 5.270 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101337176 DQFWSAPSQWHRBD-YYKYCJCRSA-N 536.632 5.406 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Br 101338015 IZZXVBLQECBTSI-YZSQISJMSA-N 593.481 6.145 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 101338900 FPHAJAQZTQJJPW-TWKHWXDSSA-N 548.687 6.952 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382752 UTBDQDGGTRUKBK-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382956 JRJVMZFXOFAAIG-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386215 OYZHYBUIEFTFMG-WJOKGBTCSA-N 614.010 6.038 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386329 PCHKQUIODLOZIX-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101389551 JCTOPYVGINJRGZ-PSXMRANNSA-N 600.646 7.323 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCC(C)C 101395528 DVAXZPDKIFIJRU-PMERELPUSA-N 552.627 6.839 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)oc2cc(Br)ccc12 101398164 BCNQYWUWCXQQFD-PMERELPUSA-N 607.460 7.520 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 101399479 PULVZZNYRSLNKA-PMERELPUSA-N 587.003 6.513 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 101399904 DNMLJLWAWXLDHN-HKBQPEDESA-N 601.030 6.903 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(Br)c(Br)s1 101735193 CVWOQOWIMIMDOE-RIYZIHGNSA-N 580.254 5.707 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1 102609532 VJKAXCXEOJSMOE-MDFHPKMQSA-N 552.026 7.619 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)OCC)o2)cc1 102665332 ZARIXUPDZSUAFE-QNGOZBTKSA-N 575.042 7.228 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C(SCc1ccc(OC(F)(F)F)cc1)SCc1ccc(OC(F)(F)F)cc1 102738199 JCBAUSIXTPBQCP-UHFFFAOYSA-N 584.563 8.024 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)c1ccccc1 102924086 MWBQGZZMJDRQCN-SRZZPIQSSA-N 599.462 7.013 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1 102933516 HXJYYEKISMBZDI-MFOYZWKCSA-N 524.327 5.196 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 103746702 JCFOHOPESRZEHY-XBCYHERKSA-N 559.018 5.764 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1F 103878457 VQOVWHLFFUCRKD-HPNXWYHWSA-N 547.630 7.333 50 10 KKGE Cc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)o1 104159621 TTYKZIFAXBHKBQ-WCMJOSRZSA-N 559.051 5.706 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C 105552239 RDMNYMYNYQCBBN-STZFKDTASA-N 538.520 5.952 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 109870057 STOBPWAMCAAZFC-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 150497623 JADYJJGJCPSQQI-AJBULDERSA-N 635.721 5.645 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164013682 ZLFXMUDKMXPAIN-AMVVHIIESA-N 669.613 5.737 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OCC)c1 206499501 DIKOBVLXAKTJNV-FTPXOBQYSA-N 541.600 6.070 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 247496028 CYABQVXMGTVARC-BKCHZABMSA-N 845.308 9.000 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 252623336 OOQXBBREJNYRNL-UHFFFAOYSA-N 545.477 7.053 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1c[nH]c2ccccc12 252638881 YGOOLWXWURIIAW-NRFANRHFSA-N 545.672 6.145 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(F)cc1 254482161 CAEFYXLLKJKFFD-UHFFFAOYSA-N 520.655 5.406 50 10 KKGE Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)c1ccc(CSc2nncn2C)cc1 254614736 WXTKWNGHRUMMOU-UHFFFAOYSA-N 533.967 5.038 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 254770702 NGXHBLPYQKALAI-UHFFFAOYSA-N 581.654 5.121 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2OC)cc1 254808499 KEVJMIIJRYWCRF-UHFFFAOYSA-N 601.681 5.576 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254812987 KMQIFVACKLPDMB-UHFFFAOYSA-N 579.682 5.893 50 10 KKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)sc2c1CCN(C)C2 256018943 BEVQMYUGBDHEMK-TYCQWZJGSA-N 627.237 5.537 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C)cc1 256028276 CFMCAIJHYXCKTE-UHFFFAOYSA-N 504.637 5.344 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Br)ccc2I)c1Br 312801964 IYAWNQJWNFDCKO-JTQLQIEISA-N 560.398 7.225 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232528 YQVJBMURKHNOBB-ADFOXZGUSA-N 649.379 6.032 50 10 KKGE in-vitro C/C(=N/NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408864 HLQHMAMMFYZHNL-KKFGYCKBSA-N 772.971 8.736 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(OCC)cc2)cc1 725325541 MIHPRUPYLZCOFH-UHFFFAOYSA-N 578.138 6.798 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1 725381785 ZCLCMDSEGCYJON-YBFXNURJSA-N 603.254 6.495 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1 725431851 XWJWWXSAIMRTFA-XMMPIXPASA-N 684.312 5.837 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 1083798894 LGYWRDLXHKTNGB-BFPGATFYSA-N 992.494 9.320 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1F 1084008969 ZGPOAPHOWABDGO-UHFFFAOYSA-N 504.521 6.623 50 10 KKGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 1084075104 LSHWLCQRBISWOX-UHFFFAOYSA-N 641.533 5.365 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084102459 GTESQZMUPZGOEZ-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084113953 FYGZVPIOTQYZGC-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE COC(=O)c1nn(-c2ccc(Br)cc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OC)nn2-c2ccc(Br)cc2)s1 1084247843 ZKBSSMFOGQTNNW-UHFFFAOYSA-N 842.642 8.543 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084289689 PGJIVDJCOALAFZ-OVCLIPMQSA-N 615.536 8.296 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(F)cc1 1084480599 VOGDHNITAPIVLG-UHFFFAOYSA-N 505.771 5.983 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084508230 USVMJGOSJPDQIE-UHFFFAOYSA-N 562.091 6.207 50 10 KKGE O=C(N/N=C(\c1cccc(F)c1)[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1613973912 GAWBENBWWDUYQM-SHVPLENYSA-N 598.984 6.945 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744708 HWVQWOQIXIQTEM-UHFFFAOYSA-N 538.398 5.250 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772752084 VSGOQZGGDCIVBE-UHFFFAOYSA-N 526.633 7.001 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 1772755374 DJQYLCODIGXGEI-UHFFFAOYSA-N 580.306 6.961 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 1772760458 OAQSKWNOOVVDLD-UHFFFAOYSA-N 530.046 6.309 50 10 KKGE CO[C@@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@H](OC)C(=O)[C@H](C)C[C@@H](C)/C=C\C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)/C(C)=C/C=O 1848432827 SQLZDXFTEMMIKN-XOEMXXMYSA-N 946.185 5.009 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683866 JUDFCVJIUJVJIQ-HSZRJFAPSA-N 513.395 5.588 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685265 HJOAEKUJLZZERU-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865690994 GVRVGROXBDHOGN-DEOSSOPVSA-N 571.903 6.783 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865693022 HHQDLLLYSFJNJO-HHHXNRCGSA-N 512.997 6.030 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865694041 OGQMUHRFKAOBBS-SSEXGKCCSA-N 520.633 6.053 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696817 LEEIYZFPXLQZII-HXUWFJFHSA-N 550.240 5.876 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865697446 SRAQOABPLXDAPP-KRWDZBQOSA-N 569.765 5.932 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697632 YMQLJLQJHNMLBE-GDLZYMKVSA-N 555.078 6.386 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701412 VDFSFONEQBZRAQ-AREMUKBSSA-N 517.416 6.344 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702578 BQGJLZJHFUMDMH-RUZDIDTESA-N 551.861 7.192 50 10 KKGE CCCc1nn(C)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703113 NFTHHTQAZVYLCB-QHCPKHFHSA-N 513.425 5.875 50 10 KKGE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866847728 RDAMSPAGJCEOFN-XMMPIXPASA-N 576.476 5.202 50 10 KKGE CC[C@@](C)(NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866933367 GAKBOXGXQMOAAV-MUUNZHRXSA-N 535.044 6.667 50 10 KKGE CC[C@@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867028179 WNDSRHYOXSJFCC-AREMUKBSSA-N 501.652 6.137 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H](C)N1c1ccccc1 1868207224 KEFKAMXJZWYLTB-ZRZAMGCNSA-N 506.679 6.488 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)n1 1868253632 OABFMAHOJXWCDR-LJAQVGFWSA-N 528.081 6.788 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)CC1 1868365499 QPFXPACWENYJRR-UHFFFAOYSA-N 536.705 6.224 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(CCOC)[C@@H](C)C3)n2)cc1 1868528623 WYFXCPXTDYCJHC-SFTDATJTSA-N 518.687 5.404 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744811 JFJDDVHOOYMJBF-ODUIBEPXSA-N 514.390 5.749 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(F)cc(Br)cc2F)c1Br 1922885031 UAAFWLZLORXDON-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595819 FIDDUIMOKRJSRZ-SECBINFHSA-N 605.742 7.622 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)c1cccc2ccsc12 1924605079 MBVJRJCYVAVPPU-JTQLQIEISA-N 501.490 7.579 50 10 KKGE Cc1oc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924605738 WKEZJVUJVUOCHM-MRVPVSSYSA-N 528.285 7.028 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)sc1Br 1939445779 DTGCVUHTLBLLCI-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CCC[C@@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781161 DFSRQLGPTJSQNK-INWYIAFRSA-N 512.305 7.453 50 10 KKGE N#CC(=C1N[C@@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 2040498635 ASDUWEGXRQTMRO-PZJWPPBQSA-N 536.398 6.143 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)c1Br 2179826161 PGCJTEJFYYPCLS-UHFFFAOYSA-N 515.311 6.176 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2Br)cc1Br 2202343831 HUCRLGCQXFMASC-AWEZNQCLSA-N 503.843 6.964 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Cl)cc1Br 2202352616 OEGWBBMFBZYKRA-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE FC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2206396124 SMLQYCWXSXVBOC-LBPRGKRZSA-N 554.317 7.689 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC3(CCCC3)C2)c1Br 2206403183 XKHVKXXWBDPOOX-GFCCVEGCSA-N 594.805 8.143 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(Br)c1 2207276408 WGQZLWUGWQNNIB-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1I 2269541672 IYIGQCZRWPLDTQ-CQSZACIVSA-N 560.849 6.309 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1 2296647865 QXOFXRGKGPHCMQ-UHFFFAOYSA-N 642.462 5.327 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1 2297123838 UWUPRKDQYVFCIZ-UHFFFAOYSA-N 507.634 6.962 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521269 BIFXBKLVKXUTPZ-UHFFFAOYSA-N 529.805 7.295 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 2313631395 POSUIZFUOPOTRV-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(I)cc2)cs1 2314490566 YZGRZXPGSPKEFJ-UHFFFAOYSA-N 556.432 7.332 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593050 GLMBXHRSHPFDMP-WXTAPIANSA-N 550.511 6.859 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C(C)=C(C#N)C2=O)cc1 2314617006 OTXLRTNMMVJWTM-VWLOTQADSA-N 661.784 5.761 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634802 NGCHNIQIYNCBFJ-LJAQVGFWSA-N 531.008 6.364 50 10 KKGE CCC(=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321347491 UUQFIXWESVDAQO-VWLOTQADSA-N 580.504 5.896 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2=O)cc1 2331311756 VAGUBHDLBUVZRL-SFHVURJKSA-N 512.462 7.305 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 2331397461 FJSNPJKENMUKAY-JTQLQIEISA-N 516.233 7.692 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)sc(C(C)=CC#N)c1C 2331557583 NRRRMXYDGYRTHO-UHFFFAOYSA-N 519.966 5.476 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csc(Br)c1Br 2339639572 NRFZOCWKHJKMRZ-JTQLQIEISA-N 556.314 7.574 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363839841 YFXLHOVALYDFNG-GUDVDZBRSA-N 506.156 6.576 50 10 KKGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(F)cc5)(c5ccccc54)[C@H]3C2=O)c(Br)c1 33356004 SWWSHKYOXLBVJN-NSFRQFJKSA-N 608.467 5.863 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38650792 LSZGTOMDSXQAJL-VWLOTQADSA-N 509.389 6.610 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650912 TYVZBDUIVSHXQV-PMERELPUSA-N 504.542 5.468 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2cc3ccccc3oc2=O)cs1 39885055 DVCRTYAAGGFGQH-YBFXNURJSA-N 507.958 7.442 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 40547509 UJTTZYDSCKRYAT-OAQYLSRUSA-N 512.305 5.348 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCc5cccs5)c(C)c43)coc2c1 40827051 CWTWLZQORXXWAQ-MWAVMZGNSA-N 503.624 5.384 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC)sc(C)c1-c1ccc(Br)cc1 41013329 CTINZXVEUHBXDU-SFQUDFHCSA-N 511.397 5.827 50 10 KKGE COc1ccccc1CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914906 QWZQLIQRCHGCFO-MUUNZHRXSA-N 531.093 5.639 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Br)c1 100145732 ZVONDHZEIZTACC-FJLJVCJUSA-N 560.286 6.063 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1Cl 100235405 NJZBFPFWWRZYNL-HOFFDHMBSA-N 585.926 6.773 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1 100235870 CQNNYXMPEKHLNM-APTYXWLQSA-N 573.459 5.929 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1 100453055 VFZJAGFYCLJNED-RJNBOEKGSA-N 548.808 5.488 50 10 KKGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869863 UKDVVHZXGZFASX-ALQBTCKLSA-N 612.079 5.034 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244440 ZSZZAIOWNBPZFV-FYAMCCBRSA-N 532.463 6.076 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246493 FPOMHUXSBDLUDS-KVILUOORSA-N 562.489 6.085 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101338147 UAJRVNLFVMQQBW-STKMKYKTSA-N 608.673 7.092 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1OC 101339309 ULCDVBWEPRAZFC-PXLXIMEGSA-N 547.405 5.561 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101366945 WTCGFWGBTISBGK-NBHGYFDZSA-N 537.399 6.238 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381486 YBEFVVMYIZEXKY-PMERELPUSA-N 583.438 6.231 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383536 CPOZRFJTCZZRMQ-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101394790 KVDFIKHQZXUFDK-WJOKGBTCSA-N 566.654 7.455 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399850 LSHFEAZNBXECFE-MGBGTMOVSA-N 604.634 7.604 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603279 CIXARLCSSAGIIB-PISBBOGYSA-N 528.411 6.486 50 10 KKGE O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101631406 MZWMBRSVBFBEAL-SLMZUGIISA-N 533.209 5.202 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(OCC)c1 101673938 GNVMMMIHZLPWOD-OQLLNIDSSA-N 553.203 5.065 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 103730709 WHWVFSPGRCOLMQ-XKMRCYARSA-N 596.525 6.264 50 10 KKGE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)c1C 103812952 NZRRQDQUNWQIQB-QGOAFFKASA-N 539.257 5.016 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103882797 GCCWWZWRNLZGRY-KGENOOAVSA-N 571.302 6.591 50 10 KKGE CCC1(CC)[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 117316377 BASYOZBODPOKTC-NEPJUHHUSA-N 519.897 6.695 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 150428721 UXRXGLOJVLVGCC-BIRDKGHYSA-N 659.202 7.460 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442150 YLSJTUNCPYFGBN-UUWRZZSWSA-N 635.116 8.372 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214233750 KXFPVDGGHNCHIW-YQYKVWLJSA-N 570.693 7.209 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214334945 BTQDLPCCSNMADZ-XTAWICNQSA-N 584.720 7.852 50 10 KKGE CC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530113 FYWPUSMWQOIDNY-FHSFFMMWSA-N 535.651 9.113 50 10 KKGE biogenic Cc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254703336 SFXGLYIVEPDNAI-UHFFFAOYSA-N 549.700 6.641 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OCC)c2)cc1 254876608 LSZQSKXNADIIEJ-UHFFFAOYSA-N 532.637 5.965 50 10 KKGE Brc1cc([C@H](Br)c2sccc2I)sc1Br 306520880 LOPMVRONFUEWPK-ZETCQYMHSA-N 542.881 6.424 50 10 KKGE Cc1cc(I)cc(-n2c(CCl)nc3cc(I)ccc32)c1 690599585 KBOGFJGYDNXIKL-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE O=C(NC1C2CC3CC(C2)CC1C3)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238099 PSDLHHWOADPKIF-GMHWZGAVSA-N 511.009 6.021 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 725380564 HCPLGCWDVZZHOG-UHFFFAOYSA-N 563.123 6.217 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 725426654 INFRFKLDWOKPFO-JOCHJYFZSA-N 536.253 6.299 50 10 KKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 1083974732 VLEPEIKBIMRUHK-DEOSSOPVSA-N 663.594 5.047 50 10 KKGE Cc1c(Br)c(C=NNC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 1084160904 JXIJFRPMYFXIEQ-UHFFFAOYSA-N 584.106 5.911 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 1084307285 IKDMNTSFCQFDNQ-UHFFFAOYSA-N 604.150 8.576 50 10 KKGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)c1 1084317837 GMDOMWJWMGPQEV-UHFFFAOYSA-N 629.522 5.383 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1 1084383102 KUJOLQVOAYUKED-UHFFFAOYSA-N 574.772 6.087 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)ccc1Br 1084423754 CEPQEDVOVXVYPP-UUYOSTAYSA-N 586.486 7.939 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc2ccccc12 1084575121 QOYYPAUMCRKKOL-HKBQPEDESA-N 601.541 7.272 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084592665 KWBVPGOKSPTIQO-WSUBETFTSA-N 554.312 7.010 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1084597864 RYNOLKOEBSOOGR-LJAQVGFWSA-N 560.492 6.400 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744061 PRFATMZYMZCQJR-UHFFFAOYSA-N 507.521 5.955 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680802 WFMSITSTKRXVHW-AREMUKBSSA-N 502.530 5.330 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684813 ZBOKGZRKHYQJJV-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685792 NHGYEYWPMQBIGZ-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689447 SDNXQNBSRLPUKX-QHCPKHFHSA-N 523.431 5.603 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694662 YUGVRYIIQNOAQV-GDLZYMKVSA-N 555.078 6.733 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695788 SWLBHTAEUXCRRX-SANMLTNESA-N 517.416 6.344 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696097 XKHKMJWBEKQOBW-AREMUKBSSA-N 577.468 6.539 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696677 IULRXQVNQMOQBG-MHZLTWQESA-N 522.605 5.870 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCCCc1ccccc1 1865697455 SVSCRSUNXQVKFO-SANMLTNESA-N 578.566 6.328 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701599 ZDDOVGRJVCZRKG-SANMLTNESA-N 547.442 6.547 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705306 RMUGPQXPFXJIOM-RUZDIDTESA-N 522.561 5.025 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707276 SIZHKFKGWISEMI-HKBQPEDESA-N 579.701 5.842 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865707417 WQKVORZLEAAUKD-WJOKGBTCSA-N 553.666 6.793 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1900400727 VUSNDVMNBSXCDB-LJQANCHMSA-N 506.653 6.366 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915131317 VMQOGBDSRXHKPS-ZDUSSCGKSA-N 504.060 6.028 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012794 ZABGVVSMPPOCTH-WXTZYQHCSA-N 728.779 12.831 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2047661326 BHFIPWSZSYMLON-HTRCEHHLSA-N 523.910 6.431 50 10 KKGE COc1cc(OC)c(SSC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 2055746444 GADCBXMSWHDNAU-JOCHJYFZSA-N 541.647 5.445 50 10 KKGE CC1(C)c2cccc([C@H](N[S@@](=O)C(C)(C)C)C(C)(C)C)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080758658 FXSQXRAOWAARAD-GCBNJDDTSA-N 583.778 8.015 50 10 KKGE CC1(C)C[C@]1(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495319 PWZKDAMBLPQRGP-WCQYABFASA-N 524.316 7.453 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)cc1Br 2092330911 OOJBMQNNPUCMLQ-CYBMUJFWSA-N 576.746 7.529 50 10 KKGE BrCc1c(Br)cccc1OCc1c(Br)cccc1Br 2094092003 AOIBMDULJKMFCI-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1nn(C)c2sc([C@H](Br)c3c(Br)sc(Br)c3Cl)cc12 2175243310 LTHORQDRNZNZOS-QMMMGPOBSA-N 519.509 6.667 50 10 KKGE CC(C)Oc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2207271424 IBLSFIYGLIFGAC-INIZCTEOSA-N 510.007 6.325 50 10 KKGE C[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2214911483 VVJOWULDWNOLJD-DGAHNEANSA-N 554.740 7.219 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 2224056206 UVGQQAJHQGDNIA-SECBINFHSA-N 585.324 7.324 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2233975038 IEUAZAWJNFLNDU-CQSZACIVSA-N 550.285 7.559 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)s1 2237632836 CYGNPUWKYDXYEN-LBPRGKRZSA-N 503.119 6.972 50 10 KKGE Cc1c([C@H](Br)Cc2cc(Br)cc(Br)c2)nn(C)c1Br 2277966103 QFAWVYKFZGYSOS-LLVKDONJSA-N 515.869 5.695 50 10 KKGE CCc1nc([C@H](Br)c2cc(Cl)cc(Br)c2OC)c(Br)s1 2295365921 UWAJBKWSKUDHLY-SNVBAGLBSA-N 504.469 6.377 50 10 KKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 2297459110 DAZOHSZAWMRITA-UHFFFAOYSA-N 508.684 7.089 50 10 KKGE COc1cc(C=NNC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2Br)ccc1O 2297708159 KJHXJJBBJZTMNS-UHFFFAOYSA-N 570.322 6.169 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 2314478131 GHSPBOKNCLDNFY-UHFFFAOYSA-N 574.710 6.385 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 2314478458 MNOBRWVWKWVDSQ-UHFFFAOYSA-N 586.500 7.763 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501250 VTJWQIVUDWOGBW-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1OC 2314751185 VFMNZPBWHCWEDX-HXUWFJFHSA-N 546.620 5.802 50 10 KKGE COc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1Br 2316596661 HSAXXWYXWICUDJ-LLVKDONJSA-N 522.427 6.262 50 10 KKGE COc1cc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 2331030650 UZXUHCXRHVMBEO-UHFFFAOYSA-N 510.999 5.321 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Br)cc1 2331051531 IGSFLXUPBNKPFN-UHFFFAOYSA-N 523.339 5.780 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)cc1 2331245615 BZEBSEWQIQKRMB-UHFFFAOYSA-N 503.849 7.440 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361173693 VCRKPLMJHPLMGW-QHCPKHFHSA-N 553.132 8.398 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2364225854 DGUWQEDPFFLILS-SECBINFHSA-N 530.244 6.482 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OC)c1 1792028 IXPDQQSSCYLXBN-MDWZMJQESA-N 542.249 5.324 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 3080123 OIDCFOWSYYSKBB-HHEDGFFESA-N 575.496 7.021 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 38686784 KZMIUBVWKFHSFB-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 100055031 QJPTYPDYEWYTMJ-LGJNPRDNSA-N 532.232 5.628 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1 100145968 GDDBKSLTMVWBFU-XDHOZWIPSA-N 526.228 6.645 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207536 DVJQZRJRJYCGRB-UHFFFAOYSA-N 584.536 5.445 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)c(Br)c1 100210361 QAYLNUOYPVAZFW-UHFFFAOYSA-N 556.295 5.238 50 10 KKGE Br[C@H]1O[C@H](CCCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 100232099 RPOHMXLVSRLRFY-KJQSSVQNSA-N 601.581 7.885 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 100238094 XLJHRBFCSJPCNP-LCVHJTKWSA-N 531.436 5.944 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101334918 XKIGFKOEAQXMNP-NJZRLIGZSA-N 617.731 5.506 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 101377670 PQACVZQQFGNQAM-NDEPHWFRSA-N 561.476 7.236 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380174 RBGXRKFLIYGJDV-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381162 IIQXIZZBTIHLHU-WFKALZGNSA-N 569.444 7.409 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381427 SKLSLZWQHORAMM-WJOKGBTCSA-N 530.624 7.000 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387528 PGMYAPOIQJWHHC-MHZLTWQESA-N 579.461 7.080 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101389527 RYSZUOFAQGGCKL-WEZXKFLESA-N 598.602 6.534 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc(OC)c1OC 101393536 VTAKHJSURAIVQI-SANMLTNESA-N 526.545 5.513 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101713587 NJLOMDOFBUFVGU-KBVAKVRCSA-N 594.303 6.987 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1 105055493 PVXCZIKQFOCEND-VTNSRFBWSA-N 533.411 6.864 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1 150406234 TWPBCMDIZJGRJZ-UHFFFAOYSA-N 666.230 5.422 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 164637332 USJKSXFBKJBLRY-XZYGTATASA-N 643.925 8.120 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214388306 KPLFHZPYEAIHIR-PRMIBHTQSA-N 675.767 5.481 50 10 KKGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 233234275 TUDBZXDZCRVJQM-GMXVVIOVSA-N 521.869 5.684 50 10 KKGE CCOc1cc(Br)c(C=NNC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1OCC 252639689 YMOXTBHFOXDDEK-BRBXXOTKSA-N 596.478 5.185 50 10 KKGE CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C=NNC(=O)c4ccc(F)cc4)cc3)cc2)cc1 254395061 GPEYBZAGXYWDDN-UHFFFAOYSA-N 550.674 8.379 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc2)cc1 254508595 PTNWBWUDILJOIG-UHFFFAOYSA-N 509.606 6.256 50 10 KKGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCc1cccc2ccccc12 254555187 CHYOUBYURITVQG-UHFFFAOYSA-N 565.655 5.532 50 10 KKGE CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3cc(Br)cc(OC)c3O)n2-c2ccccc2)cc1 254760062 PTLPLBZJRNLDTF-GOSISDBHSA-N 625.549 5.386 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc(Br)c1O 254874099 HTICVFYBVOHKGR-DGZGMRAYSA-N 579.495 5.321 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2I)cc1Br 386204012 LTGOEDOQBNLNMY-NSHDSACASA-N 548.842 5.342 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616585916 GEYKFJRDKMXPMQ-QFWBAHPJSA-N 702.964 7.691 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616588693 MHNHIGWCUNOEFZ-GGJJTXTCSA-N 578.822 7.136 50 10 KKGE Oc1nc2ccc([C@@H](Br)c3ccc(I)c(Br)c3)cc2[nH]1 721570890 CKOAZBNYDDKXNZ-ZDUSSCGKSA-N 507.951 5.120 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSCc2cccc(Br)c2)c1C 725422860 HSYSCVXYMNWQMJ-UHFFFAOYSA-N 549.332 6.311 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1 1083905457 SJZNZAQPQSSBOP-UHFFFAOYSA-N 605.226 6.151 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084010389 VWNYXCORJFENRB-UHFFFAOYSA-N 627.116 7.616 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084381743 WWZMNNIXFVVDHZ-UHFFFAOYSA-N 631.585 7.560 50 10 KKGE N#C/C(=C/c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12)C(=O)NCc1cccs1 1084505291 YJNKCPACEOEYQX-PDGQHHTCSA-N 525.472 5.091 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684073 MKEOFVURAKFJNS-XMMPIXPASA-N 527.422 5.896 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689513 AXSMKERSKCLUAA-SSEXGKCCSA-N 524.624 6.704 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691182 LTOCCDNKLQTFQJ-AREMUKBSSA-N 521.061 6.333 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865691789 BADZAZVXWKHKAZ-QHCPKHFHSA-N 557.876 6.392 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691820 BZUUULIAGAKYHJ-RUZDIDTESA-N 559.022 5.504 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692427 LZQUIVYYYPLCPY-DEOSSOPVSA-N 563.441 6.149 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865700849 GAEXJYDGZNTQFS-SANMLTNESA-N 533.415 6.293 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702891 HSOCELWTJCOIIK-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706786 FODOSXIMTXDEDP-HHHXNRCGSA-N 544.486 6.986 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865707231 RKTHOVYGGKSDIH-VWLOTQADSA-N 547.556 6.334 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867062390 ONCXEYKLECBFKP-GDLZYMKVSA-N 516.626 6.388 50 10 KKGE CCCC[C@@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867082604 LIAMUDRCVVUBQN-HSZRJFAPSA-N 525.675 5.096 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1 1872753288 PVMAARJKOCGLAH-FUQHEOJXSA-N 500.708 8.963 50 10 KKGE C[C@@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872753996 XRWFBFAWGCHSID-HZMUIAFMSA-N 507.615 7.005 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758540 FYZFPBJSMIWMEW-SDXDJHTJSA-N 501.307 5.114 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872789969 BUGQDJKRYAGOND-VCHYOVAHSA-N 517.876 7.868 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 1873499530 ZZUUWFPZCCGHOG-LDWYRGJHSA-N 502.011 5.025 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1Cl 1924569804 AMEAHIMHEAPBTB-SCSAIBSYSA-N 518.283 6.404 50 10 KKGE Fc1cccc(Cl)c1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924601386 XTJIDCZQGUCJPS-ZCFIWIBFSA-N 556.314 7.507 50 10 KKGE Cc1nc(I)c(I)n1-c1c(CBr)ccc(Br)c1Cl 2036847860 ITTVYTNUJIDLQI-UHFFFAOYSA-N 616.260 5.701 50 10 KKGE Cc1cc(C)cc([C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)c1 2080761445 INELIXLRNPBNLZ-NWWLCHBLSA-N 513.687 6.545 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCO[C@H]32)c1Br 2085496344 VYYXVJIZKBWIJP-OMHKJOEHSA-N 568.723 6.208 50 10 KKGE C[C@@H]1C[C@@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469667 WIBKCFSUEKEDQR-CSMHCCOUSA-N 584.766 6.988 50 10 KKGE BrCc1cc(Br)c(OCc2cccc(Br)c2Br)c(Br)c1 2148748610 DRLXGYNXMWNNRT-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206398111 QWBPQRGGLBKSQH-SNVBAGLBSA-N 608.710 7.905 50 10 KKGE O=S1(=O)CCC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206399840 MCACINLSASPHCI-JTQLQIEISA-N 618.805 5.997 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206405673 OHLYHGYPVJFUSL-ZDUSSCGKSA-N 550.285 7.512 50 10 KKGE COc1ccc(OC)c([C@H](Br)c2ccc(Br)cc2I)c1 2207273190 SDWRLQIMPOWUFT-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)s1 2233008886 LCCUILNFFRAAGK-LBPRGKRZSA-N 503.119 6.972 50 10 KKGE ClCCc1nc2cc(Br)c(Cl)cc2n1C[C@H]1CC1(Br)Br 2233038780 IEHQINAAJBIGTO-SSDOTTSWSA-N 505.863 5.740 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(C)ccc1I 2241002214 UIBAXVCKUQTJJM-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE Cc1sc([C@H](Cl)c2cc(I)ccc2Br)c(Br)c1C 2253511826 HPWLRZHTYXYTOV-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Clc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 2256125608 OQKDMSFYNCQLFH-SECBINFHSA-N 558.742 7.780 50 10 KKGE Clc1c(Br)csc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2264604997 JZKIXGJCGBERQJ-SNVBAGLBSA-N 637.638 8.542 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2285841849 WAZXLVCPHNYOTG-JTQLQIEISA-N 505.834 7.336 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288495641 WVNZHMORVYYMJN-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1csc(I)c1 2300647339 WLOFZVTVWYPETD-LBPRGKRZSA-N 506.066 6.614 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616540 DBYFXFIEYIPCNY-UHFFFAOYSA-N 562.601 5.531 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314617346 WMYFPEFKUJBYPR-UHFFFAOYSA-N 602.716 6.953 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314618827 UXZHVIUGYIAYDV-VWLOTQADSA-N 641.794 5.367 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634511 CCFMWGVIYPIGGN-PMERELPUSA-N 526.589 5.720 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634661 UQNUUVCJFJOPEA-JGCGQSQUSA-N 552.671 7.009 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(I)sn1 2317403143 LNCWJQWNTKBPPD-SECBINFHSA-N 569.857 6.205 50 10 KKGE C[C@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319796375 ARFDNUYRIBPYSA-UWZHDKSYSA-N 523.910 6.429 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329703195 WJFFXHZBSAIQSP-UHFFFAOYSA-N 516.619 6.033 50 10 KKGE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330521893 NCLYRUSNTIBIHQ-RUZDIDTESA-N 522.095 6.373 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Br)cc4)cc3)nc(O)c2cc1OC 2331044493 RMUGTWWPOPWGQR-UHFFFAOYSA-N 518.367 5.758 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331255933 KLKBBHLFRBNLGJ-OAHLLOKOSA-N 517.876 7.829 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331444154 SDPXPMNSLAJVDU-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2359838363 MFIRBZGXXPQIJQ-PTHHYDLGSA-N 596.777 6.988 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1Cl 2362232917 TVJRUMXRSDINES-QMMMGPOBSA-N 530.244 6.482 50 10 KKGE COc1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1Cl 2365838444 ONWGUCFZZWSPJH-JTQLQIEISA-N 507.444 6.867 50 10 KKGE Brc1cc(CN2CCCC23CCC(Br)CC3)ccc1I 2377355526 UFRZKSLHGCVYLB-UHFFFAOYSA-N 513.055 5.726 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OC)cc1OC 38657202 XIIIFIRNXPPUKV-MHZLTWQESA-N 500.551 5.320 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc(C)c1Cl 38657857 GSSSIQKUVDKELP-MUUNZHRXSA-N 510.977 6.313 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38684938 WOXOZYCATBHBOU-SANMLTNESA-N 504.970 5.558 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100210854 WSDRGXDWTVHKNH-UHFFFAOYSA-N 563.301 5.038 50 10 KKGE COc1ccc(CCNC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1OC 100921673 BVUQXELRBRATLQ-UIAACRFSSA-N 568.144 5.048 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@H](CC)C2 101193852 NIYQUILLNYJMHO-XERWBJCMSA-N 543.472 7.552 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(Cl)c2)C1=O 101333591 MDVCQGIXTCZHMP-ZXVVBBHZSA-N 571.121 7.544 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337480 DEWKFGJUHONJHW-LDQYXZLGSA-N 514.585 5.901 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337751 PKFWFTPCCRCRSZ-DCDUZGPOSA-N 542.639 6.682 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101341054 FAHIJYZWALGBRL-UXHLAJHPSA-N 607.066 5.927 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccccc1Br 101370225 IJUYZJKIVUQJKJ-NRFANRHFSA-N 516.178 6.193 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 101376054 TWKNOFGBGUBHAI-SANMLTNESA-N 533.422 6.311 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383021 DFTVXAXPIQXCEJ-MGBGTMOVSA-N 581.068 7.245 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101393679 FLFAOMZGXGENMK-HHHXNRCGSA-N 551.023 7.784 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101395796 HODUNNMJXHUJOJ-LOYHVIPDSA-N 556.615 5.474 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)ccc6c5Cl)ccc43)c2)cc1 101398187 RTWHPQQKGOOGBJ-GDLZYMKVSA-N 613.522 8.533 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101398729 BMIFVEAJSRUABC-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603373 PXAZMEZSFBOUKU-JJNGWGCYSA-N 560.481 7.208 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccc(C)cc1 101712270 VUYNSWRAVHYWLE-OKCVXOCRSA-N 539.470 6.172 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 101727426 WLVUYZIHZCKJOL-XODNFHPESA-N 528.486 6.938 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c12 102084717 ZNCVFVWEVCKRNT-HHHXNRCGSA-N 549.094 5.870 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1 103789641 IIVDMWCDRBEPER-XQNSMLJCSA-N 579.438 5.135 50 10 KKGE Cc1nc2ccccn2c1C(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 105003678 OFWAHBXHFBGKRO-GDWJVWIDSA-N 538.405 5.239 50 10 KKGE CC(C)(C)C(=O)N[C@H](Sc1nccc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)n1)C(Cl)Cl 106878255 BYJALRPWNAEGQU-BXUZGUMPSA-N 570.823 5.812 50 10 KKGE CCOc1cc(Br)c([C@H](Br)c2csc(I)c2)cc1OCC 124419174 ACIVKSUSOVNONF-OAHLLOKOSA-N 546.062 6.397 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1Br 124616557 JSIWYFTTZQPMFV-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCCCO2 128542379 NVGRKFMOJHHHFH-ZDUSSCGKSA-N 517.464 6.525 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 150411030 XHSLINKMZHEOJX-RULLNRLDSA-N 676.795 5.889 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 150429905 GHAZDPISGSCYSL-ZZJXEYPFSA-N 627.306 6.540 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442178 SYTXRWGBAVSQRQ-PJUICVFASA-N 798.846 6.118 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463047 GCEFDLKJWFSFQM-MUUNZHRXSA-N 698.411 9.540 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 164720681 SIBOIVDVXYKSRM-ZDLGFXPLSA-N 699.124 7.091 50 10 KKGE C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 195786342 LDUCAYFXHYLHLP-ACRUOGEOSA-N 541.071 5.919 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205657377 FCEOOJYZMVZZOZ-URBYCWAPSA-N 538.644 6.800 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214316099 PEYYESBKLAOPNZ-MIXAMLLLSA-N 560.654 6.658 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214397192 HWINHCWQSCQZMG-ITYLOYPMSA-N 516.638 6.236 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 227847602 QKSMWFWKLDEVOA-SSDOTTSWSA-N 530.326 7.235 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)s1 235821810 RTCBEBDSHDSVQN-LLVKDONJSA-N 550.879 6.670 50 10 KKGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(Br)c(Br)c1OCc1ccc(F)cc1 252621201 MVEADFUWFJIHBZ-UHFFFAOYSA-N 642.319 6.325 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(/c1ccccc1)c1cccs1 253572493 QGALPLKHNRFNAJ-RHBUKLTISA-N 502.669 5.187 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 253614630 PPFHNIVPOLWPCF-WHZJULEDSA-N 541.071 6.075 50 10 KKGE N#Cc1ccccc1Cn1cc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c2ccccc21 254288200 BBOLDMRPMVBTNE-UHFFFAOYSA-N 558.589 6.473 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccc2ccccc12 254399934 DVPMGFHWLDGNIG-UHFFFAOYSA-N 505.647 6.337 50 10 KKGE COc1ccc(CC[N@+](C)(CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)CCSS(C)(=O)=O)cc1OC 256206855 WUWCBXBAYBCKCW-BHYZAODMSA-N 593.832 5.301 50 10 KKGE in-vitro CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C\[C@@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@@H]14 263628546 BPXYDBBZMNFAEY-QCNDEZCESA-N 536.753 6.907 50 10 KKGE Cc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1I 383328119 XYDGBXSCSJVUQW-AWEZNQCLSA-N 554.991 5.623 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616672515 PSXUHVOXMKAPPG-SANMLTNESA-N 510.795 6.922 50 10 KKGE Brc1cc2c(c([C@H](Br)c3ccc(I)cc3)c1)OCCC2 688378254 ITQKGWOFAYFZQQ-OAHLLOKOSA-N 507.991 5.863 50 10 KKGE CCCCCCCCCCCc1nnc(SCC(=O)NN=Cc2ccc([N+](=O)[O-])s2)n1-c1ccccc1 1084035031 FTSAVOCRABYIIT-UHFFFAOYSA-N 542.731 6.553 50 10 KKGE O=C(NN=Cc1cccn1-c1ccc(Br)cc1)c1cc(Br)c(O)c(Br)c1 1084077646 MPNHXUXWCJMNAG-UHFFFAOYSA-N 542.025 5.234 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084187668 XWOOTJVKAHRDDO-UHFFFAOYSA-N 512.407 5.255 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 1084205631 MKALJBRRZSWSOZ-DEOSSOPVSA-N 585.451 5.098 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 1084241049 QDGZYOYPVUNWHX-YBEGLDIGSA-N 515.227 7.849 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1 1084263322 OCYLESPQLITVGG-UHFFFAOYSA-N 542.433 6.946 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084267855 SDWNFHZFJJNPLB-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084305863 DUKWXJZMKKWRRS-UHFFFAOYSA-N 545.025 5.883 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1Br 1084361457 BOIUIVQOXQRJRS-UHFFFAOYSA-N 606.542 6.234 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CBr)C1 1614613640 FVNGPHGJSKRUCD-MAUKXSAKSA-N 510.272 6.471 50 10 KKGE CC(=O)N/N=C(\C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1=NN(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)CC1=O 1616048486 ZGCCLTCQBANDBX-BQPAJTCCSA-N 601.834 5.562 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772743795 ITOIWFGZGCNHRL-UHFFFAOYSA-N 563.364 5.497 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748729 NMHMPGKMYSWPOR-UHFFFAOYSA-N 547.438 7.103 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865688059 HSVHQIMXYAWGDO-SANMLTNESA-N 578.566 6.594 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865689072 JHBCOIRNERGGCX-MUUNZHRXSA-N 561.469 6.992 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 1865692247 KMMYDPPSXDKLPG-OAQYLSRUSA-N 515.397 5.376 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865694164 VBEOHVLAMRKFOR-HSZRJFAPSA-N 533.415 6.472 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865694415 XYIPFNZOGITCBH-JOCHJYFZSA-N 520.511 6.060 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701847 GQHPLKKLBAPZOZ-QFIPXVFZSA-N 551.803 6.321 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865704793 DYNKWWAWJFEZTL-LJAQVGFWSA-N 554.606 6.294 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867130811 XIYNSOFYOGEZCX-PXJZQJOASA-N 586.113 6.516 50 10 KKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867181700 JIVXXKSREQAMPE-XMMPIXPASA-N 504.656 6.203 50 10 KKGE CC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218327 AMCAPSLTBUKSRP-ZEQRLZLVSA-N 521.614 5.472 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)n2)cc1 1868321092 URRWREMVXOUYTL-UHFFFAOYSA-N 544.684 7.349 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(=O)c4cc(C(C)(C)C)ccc43)n2)cc1 1868527883 JTSMLHSTENLYKA-UHFFFAOYSA-N 549.700 7.881 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 1872745138 XBCCXUDCJDXURP-SDXDJHTJSA-N 520.394 5.365 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2sc(Br)cc2Br)c1 1922891525 MAQXNSOFHWXEBN-JTQLQIEISA-N 557.849 7.539 50 10 KKGE CCn1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)nc1Br 1923038232 IGSKAYAHNITDDM-LURJTMIESA-N 542.316 6.390 50 10 KKGE Cl[C@@H](Cc1ccncc1Br)c1cc(I)ccc1Br 1924046745 DHGJODVAYMZWIY-ZDUSSCGKSA-N 501.387 5.734 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924594982 RSUUMDDZZPNYOP-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE Brc1ccc([C@@H](Br)c2sccc2Br)c(I)c1 1995286120 OWDIMIGWKSUGAS-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083318022 LXTRMBCCSMKHFQ-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1c(Br)sc(Br)c1Br 2104787463 QYVWZBDXYUMRSD-LURJTMIESA-N 572.769 8.021 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 2137641202 CBIHFISDDYMNFI-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Cc1c(Oc2c(I)cc(Cl)cc2I)ccnc1CBr 2140704223 ZUHJXAJGTXGVRM-UHFFFAOYSA-N 564.386 5.940 50 10 KKGE CCCCCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Br 2164486680 HSLRWGGDZIYYLM-LLVKDONJSA-N 554.024 9.002 50 10 KKGE CCOc1cc2c3c(c1)-c1c(ss/c1=N\c1ccc(Br)cc1)C(C)(C)N3C(=O)C2=C(C#N)C#N 2185889594 WBSDJBRWKJZVBR-FAJYDZGRSA-N 549.475 6.266 50 10 KKGE C[C@@H](Br)CCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2189279379 OLJHHPRLZJPDFG-MRVPVSSYSA-N 577.884 5.503 50 10 KKGE Fc1ccc(Br)c(CO[C@@H](CI)c2cccc(Br)c2)c1 2206280298 WSGDIIQCUCCVFP-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE CCOC1CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206405766 PSZQAWLCZAGASJ-AYVLWNQUSA-N 554.342 7.222 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1C 2221839183 VPLSTYKNSNSNHQ-ZETCQYMHSA-N 602.831 7.961 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CCc1nccn1Cc1ccccc1 2234059550 UMMJNVLMUDOHAH-UHFFFAOYSA-N 508.645 5.788 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1csc(I)c1 2252830891 SCATWPCYGFFGSE-LLVKDONJSA-N 506.428 6.400 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(F)cccc1I 2267664352 XVDFSBBLODRGST-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278099198 CXNGLSXJALJFSB-CYBMUJFWSA-N 548.490 7.468 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 2295195941 AQCGYPDAJUYTJQ-UHFFFAOYSA-N 660.730 5.076 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Br)c2)cc1 2296654318 XRAGAITVQUHWCB-UHFFFAOYSA-N 519.443 5.217 50 10 KKGE C[C@H]1C[C@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2312064187 VQZQUFWWDHEMCG-MPCSLWBPSA-N 522.300 7.063 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 2313511057 LMDKQMPXTIQZOW-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F 2313560802 HGSDEJGSUWCUBE-UHFFFAOYSA-N 509.375 6.338 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571326 SMBGGTUMDSWOAD-UHFFFAOYSA-N 526.634 8.078 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314452471 NRSTXBPJUYKINO-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591659 AONXDNNMNGJPBG-QHCPKHFHSA-N 524.429 6.067 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591820 FNXKQVLMASLEDF-XMMPIXPASA-N 552.483 6.766 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592509 VWEQKSVQUPGMGO-SANMLTNESA-N 550.511 7.490 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592662 ZQVBIFPEMZKVII-HHHXNRCGSA-N 511.647 6.021 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314616659 GNGDNNDKSJUCCJ-UHFFFAOYSA-N 554.650 6.653 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617833 BPDRDFVQIHLBDU-UHFFFAOYSA-N 552.675 5.981 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634874 YEYOGRVTJMEKLO-YTTGMZPUSA-N 573.089 7.535 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 2314772778 VTXQJCNTHIMTPH-UHFFFAOYSA-N 550.833 5.963 50 10 KKGE CCc1nc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2362236024 NVWSUOKHJZDNJL-VIFPVBQESA-N 571.329 7.270 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)cccc1Br 2365190561 GHTNJVCSSJSRIN-CYBMUJFWSA-N 550.285 7.512 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccc(Br)cc1 2365216295 SQXGVPSWRDFEBL-NSHDSACASA-N 529.867 7.100 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2377614903 MIIAZOOWBGGFFC-NWANDNLSSA-N 518.027 5.147 50 10 KKGE O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)NN=Cc1ccccc1F 1742920 AQMBJONBFHETOD-UHFFFAOYSA-N 509.968 6.890 50 10 KKGE C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 19849575 CADLITMJYFDJMF-QQXSKIMKSA-N 506.975 5.128 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 38660024 KLANYMKFKUYYRC-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660890 LRLXOYFBCODYQQ-XBBWARJSSA-N 522.532 6.209 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38685404 HFPJZFCAGHIPFX-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE CCN(c1ncnc(NNC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40589264 CIDLURAKWCLXEM-UHFFFAOYSA-N 507.348 5.215 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812182 ROLHPKDQQZRJPU-OVVQPSECSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813662 FWCHZJKOIAVHLD-VUTHCHCSSA-N 504.801 5.949 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)c1 40822448 WCLVAFRGUNQJGY-VFCFBJKWSA-N 510.388 5.390 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 100173461 QRQZYJPZBGBQKU-SFHVURJKSA-N 572.525 5.664 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100176217 FABRSCWYHMUHPO-HNNXBMFYSA-N 556.295 5.120 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246261 BJQULPYGGIKIBJ-IDJUBOEBSA-N 552.483 6.766 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)C1=O 101333593 AOIJVANLDBXXMU-NLRVBDNBSA-N 557.094 7.154 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101337463 PEJHHPLKYIPHEQ-ADIMLFFHSA-N 563.455 6.655 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 101340694 CMKOBJZFRDDDRH-WPWMEQJKSA-N 612.111 5.235 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCCC(C)C)c(OC)c1 101368469 UQAFNILNYRYEIK-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 101370359 ANLPWUNHAYCLTH-SANMLTNESA-N 533.422 5.949 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)c(OCC)c2)cc1 101374616 BTGYKJLDBZHIDR-XIFFEERXSA-N 584.713 7.661 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376061 ZDVYWDDQEILSDZ-MUUNZHRXSA-N 563.448 6.077 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379210 HWKNTEAFBLXRRU-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)cc(C)c5)ccc43)c2)cc1 101382319 OSSJIICQJNCDRG-XIFFEERXSA-N 546.623 6.393 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382855 NBLTUOKQBPAMAR-MGBGTMOVSA-N 595.095 7.925 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383374 XWYWMMZIFBRBRP-MGBGTMOVSA-N 595.095 7.419 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384501 MEJUAGPUABRIMR-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385176 YUGWQZNSVRYQKU-PMERELPUSA-N 597.465 6.783 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387170 VBOTVUGQHMDQOW-YTTGMZPUSA-N 566.585 5.924 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387374 SSQDAIOBAKAQIV-HKBQPEDESA-N 571.004 6.433 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387383 WCIXHCLWFIJRDO-PSXMRANNSA-N 612.657 7.369 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)oc2ccc(Cl)cc12 101394080 APWBKOWJZJMTRT-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 101633062 HUVFLYLOFZETGG-YPTLJKNTSA-N 575.684 7.218 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 102130164 YNOHDXZDTCZDKZ-IDUWFGFVSA-N 568.092 8.170 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 102230177 GWHVWLIQLUTOIX-MFOYZWKCSA-N 589.773 5.986 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1C 102859259 WPIALHCRDKZXJO-CLCOLTQESA-N 506.606 6.581 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2OC)cc1 105058759 XZVVSHBABPNSNY-XZYGTATASA-N 607.490 7.353 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921105 MYCARRQNTBVVPF-JZBDPCPVSA-N 521.295 9.920 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 150367142 HHQSJMKLWXHOMO-QKWQYVPCSA-N 693.250 11.353 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 150430306 QMJVMMFKWJCCGP-LUHMOWLYSA-N 753.202 7.144 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc2ccccc12 163793137 YEYXWIWGYKMRDD-IBBHUPRXSA-N 655.286 7.305 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 195960748 GEYKFJRDKMXPMQ-BQLIBBPVSA-N 702.964 7.691 50 10 KKGE CCC[C@H](C)C(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 198654943 KVVLTROOHMLHLQ-RUDOQXHYSA-N 649.074 9.369 50 10 KKGE in-vitro CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214271258 WOVNOGQUCGVGMW-YUMHPJSZSA-N 508.622 5.885 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(C)c2O)cc1 252619637 LRQJCKIBNREKQO-ZZMKHARGSA-N 596.469 5.073 50 10 KKGE CCCCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1 254484374 MHLVXGPMPWYPBW-UHFFFAOYSA-N 546.627 7.080 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254660166 YQJYZQUTXPVVBR-GNVJASLISA-N 639.577 5.344 50 10 KKGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254820029 RGRQCZCRUAFFDO-UHFFFAOYSA-N 553.615 5.127 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 405089741 PLEYDHKAYWBPQW-SNVBAGLBSA-N 524.838 7.698 50 10 KKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)OC(=O)CC[C@H]4[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 605692904 VMXYTCZASWNLEA-RXFNIUTPSA-N 506.275 5.147 50 10 KKGE in-vitro C[Si](C)(C)Oc1ccc([C@@H](Nc2ccc(F)cc2)[C@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 607716139 XXMINDVVBVJXLN-TWHRXLCVSA-N 716.974 10.041 50 10 KKGE CC1(C)COc2c([C@@H](Br)c3csc(I)c3)cc(Br)cc21 688185874 BHXJEIUBWKSZFV-ZDUSSCGKSA-N 528.047 6.270 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(C)c1 725401435 NOPGTKLPLRNGCZ-GDLZYMKVSA-N 530.665 6.064 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 1083870646 UXVAKDJKGBKKLH-UHFFFAOYSA-N 816.275 8.767 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1083921700 GQZLZKYIBVUTLZ-WJOKGBTCSA-N 544.611 6.683 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084286654 ZPBVARLZSXNWQK-VWLOTQADSA-N 636.914 6.285 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 1084300326 GTXUYHQAEWRMHS-SXGWCWSVSA-N 520.185 7.020 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1 1084330181 VJFYRYPEKNHZSK-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 1084425764 XNJNKXDGAGYIDU-UHFFFAOYSA-N 562.623 7.579 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 1084452908 DPNPXMHMYAMWJK-UHFFFAOYSA-N 596.706 8.342 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 1084492891 LAZWXPWFMQHOBQ-PSWAGMNNSA-N 558.638 5.828 50 10 KKGE O=C(NN=C(CNC(=O)c1ccc(Cl)cc1)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1088739702 MYSLTLKJBOBOEJ-UHFFFAOYSA-N 508.859 5.334 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614690212 DLOQTZZCSRBIFN-RHSMWYFYSA-N 568.171 6.255 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748087 IIDFRFGZGJGXKX-UHFFFAOYSA-N 599.485 5.414 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687274 NKGGOSLAQGTRNQ-GDLZYMKVSA-N 520.633 5.916 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OCC 1865687611 VWGZQRDWDBBBMJ-NDEPHWFRSA-N 571.077 6.997 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccccc3)cc2)cc1 1865694335 WTHIVRUMNSFOOJ-DEOSSOPVSA-N 516.523 6.056 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699382 SGSFEHMMERBLIU-RUZDIDTESA-N 507.981 5.911 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1 1865706871 HMODDUVYVMPCGJ-NDEPHWFRSA-N 510.041 6.138 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc(Cl)c1O 1865707282 SKRGDBRGAUSAGI-JOCHJYFZSA-N 537.378 5.977 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714034 BCOMGIVQHPNAGW-HHHXNRCGSA-N 546.583 5.642 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Br)cc1 1865714405 JPRNUEWYIAHFMO-QFIPXVFZSA-N 535.804 6.372 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866994732 HRWCENQQHDTLBD-RPBOFIJWSA-N 526.489 6.672 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CCS2)cc1 1868207197 JIFXEXWGNLTLFH-SANMLTNESA-N 525.703 6.687 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)C[C@@H]2c2cc(Cl)ccc21 1868365763 XBBAOVPSSSJRGC-AREMUKBSSA-N 567.118 6.795 50 10 KKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n1)[C@H]2C 1868544815 LGIGYKNZRZLHFB-NRFANRHFSA-N 535.717 7.890 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)nc(O)c2cc1OC 1872727732 WWKOCTMEWQITQC-CXUHLZMHSA-N 538.387 6.311 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748773 NBVVYTMAWQCOGI-FCQUGJPQSA-N 512.462 7.087 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754024 YVNMNBKDGPOJPT-HDUHFAKSSA-N 509.414 8.169 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940696 CUFKUDRRSSUCFG-NHWCEIRKSA-N 515.978 7.457 50 10 KKGE CC1(C)CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583364 JEHRMVSYCKHKCM-POYBYMJQSA-N 509.927 7.298 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cccc(Br)c1Br 1950216020 WYUYKWQHGXBHBK-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CC(F)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995046900 BLEVYLWFMPBLLN-QMMMGPOBSA-N 550.655 6.828 50 10 KKGE COc1cc(F)c([C@H](Br)c2csc(I)c2)cc1Br 2082780707 IQKQQKAINZADGD-GFCCVEGCSA-N 505.972 5.747 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2086140070 XOQDBKVVFMJCMP-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2Br)n1 2138848929 CDPWGHSUHVBKKV-LBPRGKRZSA-N 515.869 5.983 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(Cl)c(Br)c2)c(Br)c1 2166830190 STMVTKABEKOJEJ-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Clc1ccc(Br)cc1COc1c(Br)cc(CBr)cc1Br 2166834303 YKOREGHAIPSPIY-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Clc1nsc(CC(CBr)(CBr)c2ccc(Br)cc2)c1Cl 2167231890 PSFQMQDSFNSSKI-UHFFFAOYSA-N 522.915 6.483 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2206399648 KBSRHOBRYTZJCG-MEUQOTJWSA-N 596.777 7.130 50 10 KKGE CCCCCc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2207263651 ZIHVHSFNFJGAMH-MRXNPFEDSA-N 528.091 7.332 50 10 KKGE CC[C@H](C)c1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2207270822 DKWFZYBQJBPHBA-GTNSWQLSSA-N 508.035 7.052 50 10 KKGE Clc1cc(C[C@@H](CBr)Cc2ccccc2Br)ccc1I 2208047362 ZXYYKWQRMLUROH-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)sn1 2213488880 INGHXRNVDQEHSE-JTQLQIEISA-N 508.830 6.054 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(I)c(C)c2)s1 2233024705 XJBBYDFNHNKILY-CQSZACIVSA-N 530.063 6.444 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1C 2236840955 CLTFAGLKHFMPNT-ZDUSSCGKSA-N 610.829 8.208 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Br)cc1I 2240289610 RRURCGFVNKQHMI-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)c1 2296042379 HHYJBGJZTJBILD-UHFFFAOYSA-N 530.649 8.041 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 2297708054 AQBOPTXUXVCPJB-UHFFFAOYSA-N 535.395 5.508 50 10 KKGE Cn1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2299502309 VUNRMOMABGARSA-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1 2313511046 KUXQOBNIZZBSQP-UHFFFAOYSA-N 620.228 6.329 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(I)c2)c1 2313511166 RERILEPHVIVHMH-UHFFFAOYSA-N 620.228 6.329 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 2314616847 LAEVRFSDFBMBDS-UHFFFAOYSA-N 607.066 6.503 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(I)c1 2317772395 BZXRGSQLADWMMZ-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2328796389 MPCARCYDMQREIF-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 2331239783 ZATCUHIMKHGVPK-UHFFFAOYSA-N 503.539 6.302 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 2331305307 OJMGMCNTVZOVAP-UHFFFAOYSA-N 521.598 6.576 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1Cl 2331484756 QMHWUOFTZDWICF-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCOC[C@@H]1C2 2333303827 VDUJBUOZDZVIOT-SQPCXJJOSA-N 538.299 6.443 50 10 KKGE Clc1ccc(I)cc1CC[C@H](Br)c1ccccc1Br 2352415813 MYUKYERICAQBTR-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE Fc1c(F)c(F)c([C@@H](Br)c2sc(Cl)cc2I)c(F)c1F 2364121089 CMYMWKRVYWBRSS-RXMQYKEDSA-N 503.455 6.186 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 33383478 BMIDIKMAHHDTFR-NJEMLTPYSA-N 511.603 5.237 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 38679291 UYUIHIOLSAIXBD-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(F)c1 38700476 AMYBPDYYXMNXQA-HXUWFJFHSA-N 511.361 6.785 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811767 XZCGIPVGNVTDLS-TURZUDJPSA-N 514.807 6.035 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 59502655 QGLWAMCQYGXZBT-WPWMEQJKSA-N 510.535 5.351 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100173265 CHTGBPHNBSKGON-UHFFFAOYSA-N 568.946 6.226 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 100228034 UCXIMZZVDHWWHV-XZJBEKIMSA-N 576.406 5.372 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 100236397 MJHROXDFJIYFQO-OTQJEQPISA-N 561.476 6.544 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 101014658 NPLYLPDZXVAVED-PMRZJRRASA-N 607.157 5.952 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 101115511 UDEJDAXRRHFPGB-RGEXLXHISA-N 529.394 5.666 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242885 WCBSVFJFVABLPB-MILRPWDDSA-N 523.702 6.676 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243962 KZZZKOQYWKFQQO-VOPXDWLBSA-N 566.510 6.696 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C)c(C)c1 101246834 HGCXMBOZFANHFN-KVILUOORSA-N 501.583 5.516 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101334218 KWCBKLYQNDKISC-YABPMDJWSA-N 522.649 6.273 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1C 101380953 NBFZWEMICFPZDJ-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 101382928 HSELBNMYAKJFSQ-LJAQVGFWSA-N 621.904 8.062 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383762 LRUVLMZPQGHZMB-HKBQPEDESA-N 550.586 6.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383813 RDESACPGIYTURV-JGCGQSQUSA-N 542.566 6.995 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389743 JYVSVMADIFIJTE-SSEXGKCCSA-N 616.001 6.802 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101397897 SNYOPZBMLNYYOQ-MUUNZHRXSA-N 591.422 7.157 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)oc2c1C 101398434 LQZLDVURYBLIBM-WJOKGBTCSA-N 591.063 8.028 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399279 KGVOMTADHBHABS-CONSDPRKSA-N 597.023 5.891 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC 101827258 KBTRWIYSAXOLPY-RCCKNPSSSA-N 554.510 7.394 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccccc1Cl 103563430 SDLLXCRSNDWKQI-FABQOPTDSA-N 592.479 6.753 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 103742657 FZSOVNQOKWQEOQ-PESPDQJRSA-N 516.381 5.468 50 10 KKGE COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103796339 QAMYDDJGXUSLGA-KBVAKVRCSA-N 576.447 5.540 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccccc1I 125683053 DCFSRRIMYNRTBW-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc4ccccc4c3Br)cc2)cc1 150388548 WJMOSPNPDRXDPT-UHFFFAOYSA-N 633.568 5.867 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1 164649298 GWWOTOJBFQEYSX-FJEPWZHXSA-N 672.260 7.138 50 10 KKGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OCC 206396982 UCKXTNTWYMURSP-BTYDHXOYSA-N 526.589 5.335 50 10 KKGE Cc1ccc([C@@]2(C(F)(F)F)N/C(=C(\C#N)c3ccccn3)O[C@@H]2C(=O)c2ccc(Br)cc2)cc1 229780133 AEPPTCQQDBSTRG-WHQYGKKKSA-N 528.328 5.674 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc(Br)ccc1Br 236032904 NBSJCCVIRRXUQG-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc(Br)cc1 254378615 UTROUZRGTQHLSH-UHFFFAOYSA-N 610.686 6.012 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254383095 QVQUUDUHYMLCSI-UHFFFAOYSA-N 542.504 5.500 50 10 KKGE O=C(NN(c1ccccc1)c1ccccc1)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]c2ccccc12 254771067 HJHDCEQCNMSTGF-UHFFFAOYSA-N 535.520 5.670 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)[C@H]2Br 256019170 OCGOSOQHXYOUMS-ZLIFDBKOSA-N 591.953 5.440 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)cc2)C1 382739418 YTUYVQPWUZNDKY-WMZOPIPTSA-N 500.174 5.236 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(F)c1Br 691636500 QLPDLKUGOVKCQH-NSHDSACASA-N 522.352 6.470 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)s1 710901863 LQMAJRVHSICOQM-GFCCVEGCSA-N 519.999 5.885 50 10 KKGE CC(=NNC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725420660 GYMBMQSAEYUVIX-OHRDTETDSA-N 502.083 7.188 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 936069136 LBFNORYGGFZIBM-UWWBPQAHSA-N 530.910 8.734 50 10 KKGE CSc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 1083886619 LFGQMSDJKBVRAG-UHFFFAOYSA-N 564.132 6.530 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)cc1 1084004209 VFOCPTXMGWLELM-UHFFFAOYSA-N 606.748 6.571 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084115695 UZSROFGJHSTTHE-UHFFFAOYSA-N 581.696 6.907 50 10 KKGE O=C(NN=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc2cc(Br)ccc2o1 1084178002 ZMFBRJHPIQEGRZ-UHFFFAOYSA-N 523.126 6.434 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1 1084201905 RQPUXSHANIRNKP-UHFFFAOYSA-N 655.536 7.717 50 10 KKGE COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@](Cc4ccccc4Br)(O[Si](C)(C)C)[C@]3(C)CC[C@@H]21 1084294750 XWJNTQPWGWTJJN-NVVJBRLPSA-N 527.619 8.147 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084317949 VPUBDSXPNUUQGS-SANMLTNESA-N 580.479 5.661 50 10 KKGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084329177 QBZUQPSKPBPTGN-UHFFFAOYSA-N 687.319 6.991 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1772755943 VMYDFGCEGVSTOG-UHFFFAOYSA-N 531.834 5.782 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCCc1ccccc1 1865688604 WGKVMYBJMHPJIF-HKBQPEDESA-N 554.650 6.696 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865690456 RVOOVHQHJFRPPS-HHHXNRCGSA-N 522.605 5.954 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865696195 KQXGECGMNCFRMM-SANMLTNESA-N 521.061 6.333 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865703260 RUKXEAYATNMDQO-PMERELPUSA-N 559.069 7.357 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703546 AUBCHYFIYLHYKA-AREMUKBSSA-N 577.468 6.691 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703924 IURWBZKDQBRZKJ-MUUNZHRXSA-N 575.496 7.246 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866585656 MLLSESAHSUYYSO-MHZLTWQESA-N 588.780 6.203 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc6c(c5)OCO6)cs4)cc3C2=O)c1C 1872752906 YPLINCJXUCRMJE-QLYXXIJNSA-N 521.554 5.906 50 10 KKGE Cc1ccc(S(=O)(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753622 GNQYLBNVSSIZTE-BZZOAKBMSA-N 503.605 5.682 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc1OC 1872794093 JVDRQDQETDWPPW-VCHYOVAHSA-N 511.485 7.650 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873794967 LDWGCRGETYOWQH-BXPUGBIQSA-N 508.446 5.962 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 1922944857 AFXUJVZPTHRDGC-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Fc1ccc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595005 SGBVDXWXZZEDLD-VIFPVBQESA-N 542.287 7.265 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)c1Br 1924611984 HYSMOVQVKPDIMJ-HQLZOWSPSA-N 523.910 6.431 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1c(Br)cccc1Br 1950209312 AJUYPKOFNSEZMV-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1nc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)s1 2003570929 VUPUAXWHTMHLIT-YFKPBYRVSA-N 545.341 6.891 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2016553504 UUVHYWLHXNBSBS-IVIYWSAGSA-N 505.895 6.374 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@@H]4OC(c5ccccc5)=N[C@@H]4c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 2054338572 ZAXCJOQYACAQIY-XXMBDEDTSA-N 950.167 7.820 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 2072302881 PYTGYEGUXAICEI-VIFPVBQESA-N 521.898 5.816 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 2141474362 ZSOACAHFTVKDHN-LXORQNMDSA-N 580.778 7.753 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 2202353427 RPCQDKIPMPNWCW-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206402999 WJSZLSOVAPGLHD-LLVKDONJSA-N 615.154 8.013 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206404534 ANABLXDPVNRIJB-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE Cc1cc(Cl)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404551 ASTLQXWVJQVPRL-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(F)c1I 2206570096 QABUZWZVTUXARL-ZDUSSCGKSA-N 513.970 5.994 50 10 KKGE COc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1F 2207264967 LNDWWICADTVECJ-LBPRGKRZSA-N 513.970 5.880 50 10 KKGE CN(Cc1ccccc1)[C@H](Cn1c(CCl)nc2cc(Br)c(Br)cc21)C1CC1 2234055431 BKNJHUSZHAYDSJ-HXUWFJFHSA-N 511.689 6.211 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2270452042 CTPSCMOSDZOOKC-JTQLQIEISA-N 556.314 7.574 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc(C2CCC2)s1 2271973456 SZXCLGHQMDGTMF-HNNXBMFYSA-N 512.048 6.867 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1I 2272729820 SHKGHEGEYUJNSD-LLVKDONJSA-N 566.803 6.579 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)cc(Br)c1 2277957627 WBZCRYCBJMQUAU-AWEZNQCLSA-N 532.295 7.259 50 10 KKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 2278183136 MWTQLDZYQZWJAB-SSDOTTSWSA-N 547.879 6.534 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cscc2S(C)(=O)=O)cc1Br 2288500406 GUJKNWLLUMJVPK-CYBMUJFWSA-N 503.075 5.469 50 10 KKGE Fc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Cl)cc1Br 2295413480 GOEMAZAGZMFXMP-CYBMUJFWSA-N 519.480 7.765 50 10 KKGE N#CC(=CNc1cccc(Cl)c1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295902697 UEDQTSHKMWZXKJ-UHFFFAOYSA-N 519.207 6.962 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2301796876 QFTJSJJAISWWLY-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313567839 LZNBIHDWVIPHDK-UHFFFAOYSA-N 535.394 5.979 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 2313567949 QGFPFKFGEWXBLU-UHFFFAOYSA-N 592.602 5.123 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(F)c1 2313570597 ASBSLONGXVLKEX-UHFFFAOYSA-N 519.787 7.309 50 10 KKGE Cc1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)nn(C)c1Br 2314440362 OXKJVZGAXXAXFS-KRWDZBQOSA-N 529.070 6.317 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NCc1ccccc1 2314478469 MRZMEUVWCSNWFM-UHFFFAOYSA-N 545.042 6.995 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 2314611297 SMLKSYPFNMZRSL-UHFFFAOYSA-N 506.606 5.661 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(C)=C(C#N)C2=O)cc1OC 2314617282 VGTRBWKXLYSZDS-UHFFFAOYSA-N 719.625 8.277 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314617352 WRQYVIKTANOZRX-UHFFFAOYSA-N 572.665 5.861 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(C)=C(C#N)C2=O)cc1OC 2314617519 ZQOBIBAHRHJOSG-UHFFFAOYSA-N 537.399 6.106 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634883 ZEZHNMJUDJNFMQ-HKBQPEDESA-N 559.062 7.145 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc3c(c2)OCO3)cs1 2331335837 RFVJQDQQCONRAM-UHFFFAOYSA-N 519.804 6.607 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)cc1C(C)C 2331358647 XZSMBUUTUURESU-UHFFFAOYSA-N 516.404 6.805 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 2331397721 YDLVJRXHKJZGNK-INIZCTEOSA-N 500.407 5.967 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc(F)cc2)cs1 2331459687 KIXXXQLGXXZWCM-UHFFFAOYSA-N 518.613 8.171 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331461663 CJQAJYUJJCZBRI-UHFFFAOYSA-N 502.426 8.241 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccc(C)cc1 2331467408 NUVPXIMGDMDSCA-UHFFFAOYSA-N 510.659 7.786 50 10 KKGE Cc1nc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)n1C 2337262328 ADMWORVBIGFVLS-NSHDSACASA-N 515.869 5.695 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cnn(C)c1I 2339652653 BIFIXLYVQHOZBD-SNVBAGLBSA-N 522.381 5.325 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364037154 NKFFFAORRWENIK-JTQLQIEISA-N 531.868 5.509 50 10 KKGE Cc1ccc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)cc1I 2365177102 WOPXWUMQYWIMMW-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)n(C)n2)c1Br 2365191774 RBVPRYGRENSFLR-LLVKDONJSA-N 531.868 5.509 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Cl)cc1I 2366729437 LJRCDUPNEHAOPV-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 38606115 LIXNPZWQCMFXES-NLRVBDNBSA-N 526.662 5.670 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651513 QIELIABEJDGWOY-LFVRLGFBSA-N 509.331 5.179 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCCC)c3)ccc21 38686175 GWKYOWNJBTXFGG-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812856 KNLXSEXXUNYAFN-GQIVLKDASA-N 506.400 5.412 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100327791 RZVUTWDEDNSIAW-WGJSBGIVSA-N 613.279 6.150 50 10 KKGE CC1(C)[C@@H](C(=O)Oc2ccc(/C=N/NC(=O)c3sc4ccccc4c3Cl)cc2)[C@@H]1C=C(Cl)Cl 100918965 DWEFOAFZTVKXLF-FERZZVETSA-N 521.853 6.815 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101335983 XZIRGGXLYDOLQN-JFLMPSFJSA-N 524.665 5.359 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 101340550 NDVFZDHSBUVLHD-NDZAJKAJSA-N 623.710 5.501 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362479 WLEHGXPQTODTCF-YTTGMZPUSA-N 546.623 6.882 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 101368500 NFTXQLQLTHPPOH-LJAQVGFWSA-N 549.023 5.976 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101374894 KFXHELMMZPKRPN-PMERELPUSA-N 607.501 6.475 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101375411 DQFIRROZZYPQSV-HKBQPEDESA-N 587.629 6.155 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382523 MVSKGSUFPQFGTQ-YTTGMZPUSA-N 532.596 5.949 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 102666335 MEJTUPQTWVEIHW-ZUGOUDHMSA-N 528.848 6.712 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Br)cc1 103795912 APHJFVIGPHPEGE-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4nc5ccccc5[nH]4)c3C)sc3c2CCCC3)cc1 103874181 IHXBETFHSUAXMG-HAVVHWLPSA-N 531.685 7.536 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 103880702 SPDCJVGLBPFIBC-HWLOXFRGSA-N 535.647 7.949 50 10 KKGE CC1(C)[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 117316402 PBWKJSUVKQONQK-VHSXEESVSA-N 588.392 5.285 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCCCO2 128542569 NVGRKFMOJHHHFH-CYBMUJFWSA-N 517.464 6.525 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430040 CPANIWMQQRIUAE-AREMUKBSSA-N 755.265 9.787 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 150430890 AXQFWXIFOOXEAP-UHFFFAOYSA-N 680.257 5.956 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442252 WQQCPGYTBLPILQ-LJAQVGFWSA-N 677.993 9.277 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)oc2cc(Br)ccc12 150483095 BUSBNRHFPFNVJG-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2Br)sc1Br 161115260 OUEKEGURCBOTEQ-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 163792863 WRYRYYDREKKABL-WVKHYPTHSA-N 693.439 9.474 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1n1ccc(=O)[nH]c1=O 195782135 BEBBEBKQPQRPHS-XQKNLLDYSA-N 584.789 6.223 50 10 KKGE Cc1ccc(N(O[Si](ON(C(=O)c2ccccc2)c2ccc(C)cc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)cc1 196183867 WYDGGKFYZKFWTM-UHFFFAOYSA-N 634.808 7.417 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776706 UYRZRJPYRWYZRN-KPPCDNTDSA-N 618.715 5.243 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 206286433 CNJADHPJOLEXOM-ZHZULCJRSA-N 506.584 6.232 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214273867 CURRZSQFXXPMGR-RSZKVFELSA-N 597.741 5.208 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccc2ccccc12 254744532 DTTZUEYJNHTQEW-HSZRJFAPSA-N 556.695 6.817 50 10 KKGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 254749991 YXURKDHWYADBDD-UHFFFAOYSA-N 555.704 6.098 50 10 KKGE COc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccccc2C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OC)cc2)cc1 254858341 OODZXNGYOMVCDM-UHFFFAOYSA-N 670.678 5.670 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 256281167 BLLAWDFADRSHFN-IFTNYECZSA-N 591.664 6.972 50 10 KKGE O=P(N=c1nc(-c2ccccc2)n(-c2ccccc2)s1)(NCc1ccccc1)NCc1ccccc1 263632259 XNFKUXZDBDQKOG-UHFFFAOYSA-N 511.591 6.189 50 10 KKGE Cc1c(Br)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382694856 SVRAQIGZXCNIPU-WMZOPIPTSA-N 514.201 5.545 50 10 KKGE ClCc1cccnc1Oc1c(I)cc(Cl)cc1I 384946892 DYJLWZBANRNVMN-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE Clc1ccc(I)c(COc2c(Br)cc(CBr)cc2Br)c1 405313909 VTMYZOSAGDXOJX-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OCCCCCN(Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1 575449011 FCOQGJJPERRCOF-CJOIHRFBSA-N 843.110 8.939 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627371 STDWDYDOHOANPV-UMJFSAKXSA-N 950.167 7.570 50 10 KKGE in-vitro COc1ccc(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](OCc3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)cc1 616626065 PSPADXNBRMVELS-CQJDYPOBSA-N 619.787 5.432 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1scc(Br)c1Br 705439517 RVILMQWGIDWZJQ-SNVBAGLBSA-N 519.878 6.529 50 10 KKGE CC(=NNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(Br)cc1 725389225 XTTVJUIVDRVFET-UHFFFAOYSA-N 534.863 5.223 50 10 KKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1083887551 IOEDZIOWOUCHBU-UHFFFAOYSA-N 516.381 5.069 50 10 KKGE CC(/C=C\c1ccccc1)=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 1083901411 KXUUGFRQJQSDQW-WKUJRNHQSA-N 509.679 6.130 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084077689 FIEPCZNZKAMTEB-SFTDATJTSA-N 620.112 6.453 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc2F)cc1 1084107044 SYHGBRRCQCNHBL-UHFFFAOYSA-N 566.054 5.712 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 1084210850 XVIXMEAFDSVBRN-UHFFFAOYSA-N 556.663 6.795 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084227494 ZKWCVFYJMKLLSH-RLPNJSHFSA-N 513.663 6.163 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084343231 PIDUOTFZNBLULY-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1Cl 1084561979 LHDQBMDYHUIYCX-UHFFFAOYSA-N 553.840 6.929 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc(C)c1 1084580623 VGAMFCULXKPAOK-HYARGMPZSA-N 507.417 7.164 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)NN=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 1084604086 CAGOOIJVCUBDFY-QNSWFFGHSA-N 696.001 6.564 50 10 KKGE CCCCOc1ccc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(OCCCC)c(OC)c3)c(C)nc2C)cc1OC 1772721613 FHSRGCBQBIHGFW-UHFFFAOYSA-N 603.720 5.601 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865687175 LCCGENNFVQXSJI-MHZLTWQESA-N 568.555 6.850 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OCC 1865687332 OTHRVEIJVKJLMV-AREMUKBSSA-N 504.606 5.819 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865691737 ZSXWVDJWESPYAA-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865695679 GIAVXDJKAULIEE-VWLOTQADSA-N 554.613 6.753 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698535 WMRFRNLTYBQFAC-OAQYLSRUSA-N 523.431 5.737 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1F 1865702631 XXKHDCXSWXCOIP-QFIPXVFZSA-N 509.343 6.402 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1C 1865702802 FOCPCALTTXLHML-MUUNZHRXSA-N 527.024 6.338 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865704574 ZBOYWEGHNMTCNB-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1 1865706620 AWWXWALCHNVWLE-PMERELPUSA-N 503.650 6.101 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865708717 DMZXDJCOFTTZDN-MHZLTWQESA-N 550.059 5.088 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711418 XYKOBBASJDPBKV-RUZDIDTESA-N 508.503 6.929 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cccc(OCc2ccccc2)c1 1865712003 NKEWQBVEBPLIBH-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713130 RKQPUAKUUNGMBX-NRFANRHFSA-N 504.333 5.972 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009063 DFFBNNDEDKLIQU-IHLOFXLRSA-N 571.699 5.834 50 10 KKGE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867144196 QPLVZKIJODEQEH-RPWUZVMVSA-N 522.468 6.078 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867177036 ZJROOLGSXIZLON-DEOSSOPVSA-N 522.634 5.037 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1OC 1868301076 KDBCQHFHCGBZKK-OZXSUGGESA-N 553.688 6.488 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868364711 DRLYDLWRARYYCQ-AREMUKBSSA-N 533.701 7.269 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872745008 SRBSNLLQWBHWDK-MQPOEVEDSA-N 512.462 7.087 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 1872748646 HDUUIPNQDOVWFK-JXAWBTAJSA-N 520.394 5.365 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OC)cc1Cl 1872756520 NRTGEKAOPMMCOG-UZYVYHOESA-N 519.450 7.403 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872790163 OKWKMCCIBSNBJQ-DEDYPNTBSA-N 507.442 8.159 50 10 KKGE C[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898077797 DQTUQUFOINPMIQ-OJFKHTATSA-N 540.713 6.829 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915301708 JCIHOOMUKCZVIJ-GOSISDBHSA-N 504.104 6.633 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@H](Br)c1sc(Br)cc1Br 1922880326 DBXPLYSQBFKZGJ-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1sncc1Br 1923065433 CEKRZARZTUGCGY-SCSAIBSYSA-N 531.314 6.630 50 10 KKGE Fc1cccc(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924589198 AHPPVOHIPZFFAQ-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE CCCC(C)(C)OOC(C)(C)[C@@H](CC)[C@]1([C@@H](CC)C(C)(C)OOC(C)(C)CCC)C[C@@H](C)CC(C)(C)C1 1933223689 SJVUGAIYXOTMTL-SQQWPVGBSA-N 526.887 10.482 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1csc(I)c1 2029251846 MWPCPZISRZNTQZ-ZDUSSCGKSA-N 502.009 5.917 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](OP(OCCC#N)C(N(C)C)N(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2059940027 BWDOVLKYUXQDFC-XXCKMDCHSA-N 971.182 8.474 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 2136384056 LIPMNFLCYAAHJI-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE Cl[C@H](c1csc(Br)c1Br)c1c(Br)c(Br)cc(Br)c1Br 2141467667 AKKBNOGFQKKKMK-SNVBAGLBSA-N 682.089 8.651 50 10 KKGE Cl[C@H](C[C@@H]1C[C@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2141467760 BUYHTGAYEBCVFB-DKCNOQQISA-N 536.327 7.453 50 10 KKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470565 IFPJGOOKPROMOT-ATHITMAHSA-N 590.720 7.464 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1)c1c(Br)c(Br)cc(Br)c1Br 2141478514 GHARCYHSDCMKQM-HXUWFJFHSA-N 624.392 8.644 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1cccc(Br)c1Br 2148753325 RQKPFGQPIIHQSB-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2150494643 RTXDNLMWJALJON-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2Br)c1 2154476407 WMHOKZPEVVNLKV-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COCCOc1ccc([C@@H](Br)c2cc(I)sn2)cc1Br 2176541633 ZYDIUEMDPKIZQX-CYBMUJFWSA-N 533.023 5.020 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)[C@@H]1CC[C@H]1OCc1ccccc1 2179831582 YPMNHNKDAVPLGF-RTBURBONSA-N 517.283 5.021 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 2202353149 QMUAKJGMQBQZQN-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Cl 2202997895 BGDVXFDJGAOXBH-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206405485 LCJFXTHQOSYPMH-ZDUSSCGKSA-N 554.248 7.343 50 10 KKGE C[C@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2207271001 GUMFVDQMMHBACN-ZUZCIYMTSA-N 515.027 5.127 50 10 KKGE Cl[C@H](COCc1ccccc1)Cc1sc(Br)c(Br)c1Br 2209348442 AWHZNXHMAGBLSY-JTQLQIEISA-N 503.481 6.402 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1C 2221835909 KVWRATIUDACRNH-QMMMGPOBSA-N 558.380 7.805 50 10 KKGE Brc1sc(C[C@@H](Br)CC2CCCCC2)c(Br)c1Br 2222469815 CWPQNSYZXJCWSD-VIFPVBQESA-N 523.954 7.312 50 10 KKGE COCC1(COC)C[C@@H](c2sc(Br)c(Br)c2Br)[C@H](Cl)C1 2238396162 WWPLGANBAWFAHA-HTQZYQBOSA-N 511.501 5.800 50 10 KKGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 2243919187 QEERHCWRDORLCQ-BRVOVERQSA-N 513.476 5.572 50 10 KKGE Cc1sc([C@H](Br)c2scc(Br)c2Br)c(Br)c1C 2246412829 BWNIRBJLCOWAJM-SECBINFHSA-N 523.935 7.198 50 10 KKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2269282845 YYONRRZFKJLRIU-XQBZDOOFSA-N 584.766 6.845 50 10 KKGE C[C@@H](Br)CN(C(=O)c1cc(Br)ccc1I)C(C)(C)C 2272451492 JPNTUFCJSOIGTR-SECBINFHSA-N 503.016 5.078 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccccc1 2296500342 ITKQOZGYGWNQDW-UHFFFAOYSA-N 538.625 6.725 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506797 FPOFBWAIUZZUKR-JOCHJYFZSA-N 522.399 5.653 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1c(Br)c(Br)nn1C 2301118808 HIEYFDOJAAQIPQ-ZCFIWIBFSA-N 507.871 5.562 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1cccs1 2313540701 PIURYHMVQXGOBZ-UHFFFAOYSA-N 503.421 6.466 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 2313567462 HXKARFTZIKDSPB-UHFFFAOYSA-N 544.218 6.784 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 2313631049 JKVGSPPGPYXXDE-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 2314476267 LTTZTYCNLUGICD-DNQXCXABSA-N 581.698 5.191 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314489403 HHYVOTXTKRIVCZ-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592160 MUMUOAYVTXEWNL-RUZDIDTESA-N 586.035 7.131 50 10 KKGE CC(C)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593951 WKLHVTWDGOBZAP-LJAQVGFWSA-N 523.702 6.676 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314610322 GBTHKGIOGCQSAD-UHFFFAOYSA-N 528.612 6.119 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C(C)=C(C#N)C2=O)cc1OC 2314616881 LYPYRTGNZHZVNZ-UHFFFAOYSA-N 572.665 6.008 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314617214 TTZOINLGXLLGNE-UHFFFAOYSA-N 572.665 6.438 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331232696 UEVULFXYHHEGBX-XHCCPWGMSA-N 519.626 6.981 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254757 XEYVNSNYTIWZKE-UHFFFAOYSA-N 505.426 8.202 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1C 2331382234 NTHCQOCWIXNGDF-UHFFFAOYSA-N 505.599 6.216 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCCN1CCOCC1 2331413886 TXOIYFMNGKXPKR-UHFFFAOYSA-N 523.658 6.261 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(I)cc2)c1Br 2337082861 QWSLQAMIFDITLS-GFCCVEGCSA-N 538.807 6.937 50 10 KKGE Cl[C@@H](C[C@H]1CCC[C@@H]2C[C@H]12)c1c(Br)c(Br)cc(Br)c1Br 2358264612 PIASGMAGUFKWKX-XBWDGYHZSA-N 550.354 7.843 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362225139 UOVXKWOZBWRKCU-OXOINMOOSA-N 513.448 5.263 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2364070578 NCWFGWWJLREKCU-VIFPVBQESA-N 546.699 6.996 50 10 KKGE CCc1nc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2365181608 WWLPWXKGCBEHAB-JTQLQIEISA-N 550.911 6.925 50 10 KKGE Clc1ccc([C@H](CI)OCc2ccc(Cl)cc2I)cc1 2365644625 GJTLTPIJCXPFFD-HNNXBMFYSA-N 532.974 6.291 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)sc2c1CCCC2 14151095 UVQVFSYZBMASCQ-HMMYKYKNSA-N 521.038 6.582 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1COc1ccccc1Cl 27520746 OHCYBHVVHWQPRK-JBCPZZPVSA-N 507.801 6.152 50 10 KKGE N#C/C(=C/Nc1ncc(Br)cc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 33319506 FMKONALYFJBGCG-XFFZJAGNSA-N 507.167 5.615 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 35518819 WLFSARMPYKOMJZ-SFQUDFHCSA-N 504.333 6.300 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 38679295 WLFVCKSPBAIMTJ-WJOKGBTCSA-N 520.585 6.003 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38685186 YKKMLCHDIUOISW-NDEPHWFRSA-N 518.997 6.030 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 40530384 CNFIJJJPXAHHSC-SANMLTNESA-N 514.965 6.539 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1 40882662 GEXNXMXTYOSBFY-HAVVHWLPSA-N 513.594 6.071 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100189079 PFBFHPUWFZCIAQ-UHFFFAOYSA-N 583.508 5.138 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 100272746 JMVVMDGQNYOPBF-GOSISDBHSA-N 550.519 5.128 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245398 BMWVXLLOHHABBB-IDJUBOEBSA-N 502.039 6.276 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C2=O)cc1 101339855 MXGHGXVQXUGQEO-JVWAILMASA-N 560.610 5.358 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101373684 TYUKANAAOYQZFG-KWMCUTETSA-N 532.568 5.604 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101375343 KRKWFZIXUXGELL-ZBTPUGTASA-N 573.089 7.535 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)cc2)cc1 101377069 QXHRDILFAYSJRA-HKBQPEDESA-N 540.660 7.262 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385096 ASJAZTVSHGXPJE-HKBQPEDESA-N 532.596 6.328 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385665 IMRFGHBZSDVRIX-GDLZYMKVSA-N 607.877 7.672 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386898 IYIYXYCGAWXXPG-JXNPFXPLSA-N 608.666 7.128 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101387309 QUPVSNQZNUTIFR-LJAQVGFWSA-N 540.522 5.990 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101393195 UXQHBBFZAPSTHB-HHHXNRCGSA-N 583.468 7.017 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2cc1Cl 101398693 CBEUFLSSYCZGOZ-WJOKGBTCSA-N 595.026 7.859 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399680 RVLIGQKGAMANKU-XIFFEERXSA-N 604.634 7.604 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)cc(Br)c1OCc1ccccc1 101713649 BKFITSDFIYVLOE-UVHMKAGCSA-N 562.258 5.637 50 10 KKGE COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c([N+](=O)[O-])c1 102417860 NJVFACLDPAGBNA-RAXLEYEMSA-N 525.340 5.572 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc(F)cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102919318 KBEUFUYBTCBSDT-ZDKLUEKISA-N 548.606 7.083 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 103723107 PGVAOCAGMWZQTO-WUZYOQQESA-N 585.477 5.658 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1 103741541 DYDWSGLLWQSWTQ-GPSDDGMOSA-N 536.426 5.962 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 103794960 FQYPBGDPQAEZGB-WZLSHHILSA-N 524.831 6.054 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 103876809 KNXMDIOYPRATER-KVSWJAHQSA-N 595.220 6.696 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c(OC)c1 150489204 LLYHKHWEYWTTPD-IBGZPJMESA-N 630.695 7.173 50 10 KKGE CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCCOC(=O)[C@H](Br)[C@@H](C)Br 205990453 RZTSKWFQWWIWIF-PLACYPQZSA-N 656.176 9.085 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1OC 206694059 STROMDHQGQXZEN-KQWNVCNZSA-N 519.667 7.111 50 10 KKGE CCCCc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 207131113 VUZFGDGFLDXDMN-PLRJNAJWSA-N 532.662 6.074 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 214407393 NGVTYIDRSQOARY-DXJNIWACSA-N 574.656 6.958 50 10 KKGE Cc1cc(I)cc(C)c1OCC(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C\c1ccco1 252623117 OKOCYAGMPSBWQK-VSTYPHBLSA-N 623.241 5.411 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 253537507 JBHLEOSHZKKTQZ-JUTLOXCPSA-N 693.521 6.391 50 10 KKGE CCn1c(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 254614882 FECLFLRXCUPTDU-UHFFFAOYSA-N 521.690 6.811 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 254618581 QFPAWPUYMFULER-GOEUESIASA-N 591.620 5.263 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254745064 JQWJXVJYDQBSCT-UHFFFAOYSA-N 594.837 9.415 50 10 KKGE CC(=NNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 254872069 PHDSYADKPRBNFH-HRBORTPRSA-N 582.701 6.112 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@H](I)[C@@]1(O)C(=O)O 255966326 CBVZKAGLPGRMNW-NIJIEXERSA-N 709.105 5.774 50 10 KKGE in-vitro COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 504082861 ZFRWPAYPCFTQHK-OZFLXDGESA-N 701.893 5.876 50 10 KKGE Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616589847 YZKSRCFNZJJDNX-LGIAXYRHSA-N 676.824 6.063 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1c2ccccc2CCN1CCO[Si](C)(C)C(C)(C)C 616679163 RCTVFWHMDWFJEG-GDLZYMKVSA-N 525.926 8.220 50 10 KKGE CC(=O)OC[C@]1(C)C=C(C=O)[C@]2(C)[C@H]3C[C@@H](F)[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 653739254 KQBZXEDHIQKGGP-GLYOLBDBSA-N 528.705 6.240 50 10 KKGE ClCc1nc2ccc(Br)cc2n1-c1cc(I)cc(I)c1 690396411 SBJGDCOPGGUOGS-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(F)c1Br 691539317 JHJUTWRUTDRSBX-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 725389287 ZCXCDJRKNPAEOI-RUZDIDTESA-N 554.428 5.563 50 10 KKGE COc1ccccc1OCC(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1OC)N2 725428571 XMMUZELILKGTAE-VDZJOXJSSA-N 527.621 5.458 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 725442755 FBVHXATYSZTTSC-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc([C@@H]2[C@@H](CC[C@H](O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)COC(=O)N2c2ccc(F)cc2)cc1 888086101 CPQMKTRATJGFNU-VEYDHLCMSA-N 667.986 11.206 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl 1083938275 DRBYALRDFLQIPO-XDHOZWIPSA-N 532.254 8.153 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F 1084014726 MQYLLFBFYXCENJ-UHFFFAOYSA-N 576.216 6.448 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084030015 JWTXKQFBXUIBJB-UHFFFAOYSA-N 577.089 7.414 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1 1084036308 NXYFIQORPZHNKU-MWAVMZGNSA-N 592.537 7.166 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 1084046549 ULVNPAJTZAKUEE-YVLHZVERSA-N 546.646 6.990 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12 1084171379 VGHLJMVQQDCXRR-UHFFFAOYSA-N 658.596 9.110 50 10 KKGE CCOc1cc(C=NNC(=O)CSCc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 1084175842 DJYVCYZMBQAGGR-UHFFFAOYSA-N 503.451 6.355 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(c1ccccc1)c1cccs1 1084220957 LXFIEANJZVKACY-GOSISDBHSA-N 628.565 5.792 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)sc3c2CCCC3)cc1 1084420472 TXAZAUSVWRDVNV-UHFFFAOYSA-N 659.900 9.219 50 10 KKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084469910 VWTAUBNKRAGXDF-UHFFFAOYSA-N 546.849 5.542 50 10 KKGE CCOC(=O)COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084501909 KMUMFXOOMZNYPY-UHFFFAOYSA-N 511.578 5.167 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084606693 VITSJHYLANZEBO-UHFFFAOYSA-N 590.749 6.870 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749179 XVNIMNRUXRGARP-UHFFFAOYSA-N 516.395 6.226 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 1772755917 UXSGZNMKNUXENM-UHFFFAOYSA-N 622.387 7.950 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC)[C@@H](OC)[C@H]1OC(C)=O 1848435611 RRWCFRRJDLLSIP-QHPYGSKZSA-N 628.747 5.082 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683535 MDCJLCOWCRZVRX-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865686810 BNBRGVSXPJHYSB-MUUNZHRXSA-N 536.632 6.344 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865687007 HHGCSYRTPRJPGV-QHCPKHFHSA-N 526.559 6.054 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865687747 ZHQQKLDZXXAXJM-QFIPXVFZSA-N 528.531 5.695 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865701200 OUSAJSLHEIZFHQ-MUUNZHRXSA-N 571.077 6.674 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701362 UBCMBSQXDMVXIF-GFCCVEGCSA-N 536.146 5.007 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704040 LGPLHPFMOVWETO-GDLZYMKVSA-N 533.031 7.038 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710139 PHUNYADJMQRKNR-MHZLTWQESA-N 500.558 5.928 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711238 TXMRQHIEXFPFCK-HSZRJFAPSA-N 520.486 5.983 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990682 MEWZPIXTRBYTRJ-IGKIAQTJSA-N 517.651 5.383 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867128575 SRSOCXZIVVFDHF-VGOFRKELSA-N 532.504 6.228 50 10 KKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)c2ccccc21 1868433126 FLVVSOVJVQOKOZ-UHFFFAOYSA-N 513.070 7.480 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872791728 RFXLBLKQZMRJDG-LPYMAVHISA-N 525.512 8.338 50 10 KKGE Cc1ccccc1COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872793236 OYIYQZSOKJFRSM-ZXVVBBHZSA-N 500.623 8.554 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1OCCC 1872817991 HCMIXBDJJQTPSO-MFEYTRKPSA-N 502.680 8.191 50 10 KKGE Cl[C@@H](c1cc(I)sn1)c1ccc(OCc2ccccc2)cc1Br 1899851999 MHUGCCABOHMVDP-QGZVFWFLSA-N 520.617 6.417 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(CCOC3)C2)c1Br 1924571217 PVTSEGZIQWKBTI-BCIJWEBZSA-N 523.910 6.288 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924585060 GVJHFNHDEGWJDR-SECBINFHSA-N 521.869 6.967 50 10 KKGE CCC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2025343518 ISGVPXVVMHLACH-KAVNDROISA-N 509.927 7.298 50 10 KKGE CC1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2025780854 YBWFVHOVRNIPPT-SHOFKNTGSA-N 554.740 7.219 50 10 KKGE O=C(C=Cc1cccc(Br)c1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 2042447744 ZAGSUAHKHLVGFE-UHFFFAOYSA-N 531.328 6.092 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCC23CCC3)c1Br 2053377534 JBIZRNPAKXUQES-CBAPKCEASA-N 521.938 7.442 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1cccc2ccccc12 2053624448 KLKFNPGVFCQAAO-UHFFFAOYSA-N 698.311 7.638 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 2065890149 JJSJDFNDWCPQSB-LURJTMIESA-N 542.316 6.215 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2sncc2c1 2120654921 BADORGPWYOBNOK-VIFPVBQESA-N 502.478 7.021 50 10 KKGE COC1(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141469792 CEFUQIXGARQCMT-SECBINFHSA-N 584.766 7.132 50 10 KKGE Cl[C@H](C[C@@H]1CC[C@@H]2C[C@H]12)c1c(Br)c(Br)cc(Br)c1Br 2141469821 XCDSPGFIJAJRBU-OFHVYEONSA-N 536.327 7.453 50 10 KKGE Clc1cc(Cl)c(OCc2cc(Br)ccc2Br)c(CBr)c1 2175142550 RGKANFGSBATUEH-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2202997808 LFHNHSOJMRLAEB-ZDUSSCGKSA-N 534.388 6.339 50 10 KKGE CC(C)C[C@H](C(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394887 JXNGTSLDUFEMOQ-PSLIRLAXSA-N 554.386 8.335 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1cc(Br)ccc1I 2218804709 DBFXACTYWNBTNX-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(F)c1I 2218810797 RHQILTJESCQBRJ-LLVKDONJSA-N 504.000 6.355 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)c(C)c1Br 2227358281 ZQWSJYPTWPSPQK-CQSZACIVSA-N 515.865 6.977 50 10 KKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277960474 IHGMRYZXMYRVJJ-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2279045785 BYUAOUHQOIWQKY-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE Fc1cc(Br)ccc1CO[C@@H](CI)c1cccc(Br)c1 2281372855 OKUYYCADBVOBMR-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2285941568 MRLVJUWSPHYAPM-ZDUSSCGKSA-N 509.797 7.281 50 10 KKGE CC(C=NNC(=O)CNc1cc(Br)c(Br)cc1Br)=Cc1ccc(C(C)C)cc1 2297322241 BXGOVESNQHZGSK-UHFFFAOYSA-N 572.139 6.715 50 10 KKGE CCOc1ccc(NC(SCc2ccc(C)cc2C)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414582 OGMZPSOYTZGPDB-UHFFFAOYSA-N 515.635 5.828 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(I)c1 2303551388 YDCDDEWXXLOMOA-HNNXBMFYSA-N 522.608 5.045 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 2314476559 QOJPCFBLSWMJJP-UHFFFAOYSA-N 538.456 6.973 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3ccc(I)cc3)cs2)cc1 2314489600 SWVBRLBMUXOGMO-UHFFFAOYSA-N 586.458 7.340 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592956 DZKZTEVJPUHTMH-DEOSSOPVSA-N 506.027 5.799 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593167 INSFIMUXLILDJM-WBBHLRKXSA-N 551.756 7.456 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314616551 DIVOQIDHGBSQTP-UHFFFAOYSA-N 568.677 6.962 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314617116 QYUGSRWFCRPMBW-OAQYLSRUSA-N 532.644 6.096 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640750 VUOYOOAQLOOMMY-HKBQPEDESA-N 534.999 6.756 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)sn2)c1Br 2315454190 UPAHIOJMOJRGMI-MRVPVSSYSA-N 543.275 6.707 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c2ccccc2)cc1 2331240159 ZBXWONJPKNQYDI-UHFFFAOYSA-N 518.682 8.510 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(Br)c1OC 2331351849 GPKTWKKIDGFXQY-UHFFFAOYSA-N 505.340 6.374 50 10 KKGE Brc1cc(COC2(CI)CCCCCC2)ccc1I 2350068562 PALVVADDFDWPNQ-UHFFFAOYSA-N 549.028 6.098 50 10 KKGE FC(F)(F)c1ccccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361179392 VQYOLDJMKFUUIB-HXUWFJFHSA-N 500.152 7.531 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228286 CJRNGUWZXUONOA-PSASIEDQSA-N 513.448 5.407 50 10 KKGE Cc1ccccc1[C@@H](CI)OCc1c(Br)cccc1Br 2366182144 DSXGEAYOJYEKBZ-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE Brc1cc(CN2C[C@H](Br)CC23CCCCC3)ccc1I 2377318360 STRVZGKTBZAWIU-CYBMUJFWSA-N 513.055 5.726 50 10 KKGE N#C/C(C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)=C1/Nc2ccccc2S1 3320576 LQRNEOCTFCZYLZ-XQNSMLJCSA-N 578.430 5.612 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 8424376 BMWFKNNINHUIOP-UHFFFAOYSA-N 500.382 5.668 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 8556700 ZVPLXKWIUDQYII-UHFFFAOYSA-N 572.643 5.136 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 11852130 DUCGWLPEYDJQHQ-GDNBJRDFSA-N 559.272 7.609 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38687568 MJZZLNFIDPXWNC-GDLZYMKVSA-N 522.601 6.974 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)oc2c1C 38700606 RCWFMCYXRKZHBL-HSZRJFAPSA-N 502.929 6.588 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 38700805 MQEUBIIBCJTKCE-GDLZYMKVSA-N 522.601 6.920 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2)o1 58833315 OSXXDFZWOYACTM-FOWTUZBSSA-N 514.217 6.888 50 10 KKGE Cc1ccc(-n2c([C@H](C)N(CCC(C)C)C(=O)[C@@H](Cl)c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1 100084179 UQQHKWNHOHUJFM-IDISGSTGSA-N 536.503 7.263 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 100235512 CTBJULGVRSMAGZ-LCVHJTKWSA-N 559.432 5.538 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)cc1 100238488 YWHKUBCMXXDCRR-WUKQQSQZSA-N 616.496 5.940 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])c(Cl)c1 100474161 OBKVXQSAFYFFBE-OPEKNORGSA-N 519.714 5.166 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2c(=O)[nH]1 100920351 GQMOGUFJXMKDQH-HKOYGPOVSA-N 556.025 7.072 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241262 SSFCWROUKKPNGX-UZEPBSNMSA-N 552.483 6.135 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367309 BFKDWPMNXWIWMH-YTTGMZPUSA-N 564.594 5.485 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101367968 JSYKWMVKFAYIIG-PMERELPUSA-N 544.604 5.475 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383357 UFBMAPRSGLYTBS-YTTGMZPUSA-N 559.021 7.510 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101385503 OQGOBGVCSTYFRU-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)c(C)c2c1 101394099 TVBDNEYUZFUHQM-RUZDIDTESA-N 529.390 6.504 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396505 GBUMTTPNGLMSNP-VWLOTQADSA-N 579.505 8.214 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607054 FKOIOPKKGBQRLE-PARHTJLUSA-N 550.575 6.563 50 10 KKGE Cc1ccc(CSc2ccc(C(=O)NNC(=O)c3ccc(SCc4ccccc4F)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 101665656 UCENDUVRKCUGLV-UHFFFAOYSA-N 606.657 6.610 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 110554833 PHKDGVJPKTVVSP-LGUFXXKBSA-N 558.613 7.202 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN/C=C3\C=Nc4ccccc43)n2-c2cccc(C(F)(F)F)c2)cc1 136068055 KOIGFTQWBBDONW-OBGWFSINSA-N 550.566 5.432 50 10 KKGE COc1cc(CNNC(=O)CCCCCCCCC(=O)NNCc2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 150427344 CATOOEWTXPIHEV-UHFFFAOYSA-N 688.458 5.309 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150460291 YKYVDXXXIJLZSB-WJOKGBTCSA-N 647.909 6.893 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 150462531 XGAXAASEZKKGJE-AVQONUNLSA-N 630.726 5.329 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150485720 ZTPOAHQJVUZVII-SSEXGKCCSA-N 686.375 8.724 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1 164631109 YZVICYXTMXMFMJ-FDALDRLYSA-N 699.545 7.497 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1OC 206287202 UWGLNJSJKXGZOO-PLRJNAJWSA-N 512.606 6.728 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206701180 ITBGNSFNKXEFAG-SCEXFQHPSA-N 539.588 5.593 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214278243 YQKPVTKJYMQFDF-CEUNXORHSA-N 526.596 5.897 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214297285 QUDCPMMVHIRIKW-IMRQLAEWSA-N 538.648 5.654 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214347797 VYPXKNBKPPUKQB-VAMRJTSQSA-N 572.734 7.266 50 10 KKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1 217253895 YMQCJKXYJDZFAT-LUAWRHEFSA-N 505.665 5.730 50 10 KKGE CCCOc1ccc([C@H](Br)c2csc(I)c2)cc1Br 229007979 AWMPQMIOTGYEOW-AWEZNQCLSA-N 516.036 6.388 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1)OCCO2 232484772 HRVAKCAFHGQJTG-HNNXBMFYSA-N 509.963 5.309 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2C2CCCCC2)cc1 254305308 FXPWKYZKHHCFHQ-UQIKAPIFSA-N 504.616 5.574 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2OCC)cc1 254825567 HPGKRAQFTWISTB-UHFFFAOYSA-N 518.610 5.664 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccco3)c([N+](=O)[O-])c2)cc1 254833717 VUZCJNKPAUZZLL-UHFFFAOYSA-N 521.570 5.650 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]([C@H](C)CCCC(C)C)CC[C@@H]32)C1 256025042 MIMJWSMERLGFQY-WDBDAGFESA-N 533.281 10.127 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)c(Cl)c2)C1 382686877 KWQNVCIDPCEGJZ-CVEARBPZSA-N 534.619 5.890 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)c1 616584908 MZFUMCYMCRPLAD-AREMUKBSSA-N 508.760 6.613 50 10 KKGE CN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238036 CDIMIWICHSOAFA-AREMUKBSSA-N 552.071 6.834 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 1084087085 JXUKFDPNRFVBPN-XMMPIXPASA-N 624.757 6.807 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 1775956587 CXIGRSVIJKSIQL-KMXRKSMRSA-N 500.928 10.418 50 10 KKGE in-vitro CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848434249 OFDIKJKJPJTORF-RLQWTGPYSA-N 705.251 11.282 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684251 ONKNMFHBTAKWAP-SFHVURJKSA-N 500.194 5.178 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865689134 KWAIHXWJUZNNRY-FQEVSTJZSA-N 502.468 5.105 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865692501 GMONHTFSEQZZCF-GOSISDBHSA-N 539.341 5.882 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692793 PHSWSPVVLDMWFF-DEOSSOPVSA-N 549.414 6.090 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCCCc1ccccc1 1865696575 HXRLZLPEZTXWDV-SANMLTNESA-N 578.566 6.328 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704714 CIRPSDZIRYRAMC-AREMUKBSSA-N 541.007 5.924 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706195 QBHSFPJICZZFJD-OAHLLOKOSA-N 530.677 5.978 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706930 JAJQIWQSYNDMSS-HHHXNRCGSA-N 510.041 6.333 50 10 KKGE CSCC[C@@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867028171 WGCXKAZILGQHCG-HHHXNRCGSA-N 547.746 6.480 50 10 KKGE CCC[C@H](NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207549 JJSXRUKXTIFENY-UNMCSNQZSA-N 532.504 6.084 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793346 VSLVPXCLFIKMCP-NCELDCMTSA-N 500.579 7.886 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)c(OCC)c1 1872793764 RPNSXSPMLDFWJT-HZHRSRAPSA-N 512.631 7.259 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(I)cc2)c1Br 1922945108 CMRUPPKIFPLDEQ-SNVBAGLBSA-N 550.879 6.670 50 10 KKGE Cc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579620 HVRVDZZXYGTGRH-LURJTMIESA-N 509.908 6.890 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)s1 1945189388 POPXKANHYDCIFT-MRVPVSSYSA-N 523.935 7.144 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Cl 2025783001 LHVXLFKBTUGRHU-ZFBSXCOFSA-N 511.277 5.624 50 10 KKGE Fc1cc(C(F)(F)F)ccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079243273 QUDXGGFEIYRJKP-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1)Cc1ccc(Br)cc1Br 2148681213 IGNHGJMSHXDFKW-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE BrCC(CBr)(Cc1c(Br)cccc1Br)C1CCOCC1 2150503879 PXOXQHQHBZNJDP-UHFFFAOYSA-N 533.924 5.957 50 10 KKGE Clc1cc(Br)c(OCc2cccc(Br)c2Cl)c(CBr)c1 2166825517 CJVWZDIYAKXLJR-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2c(Br)cccc2Br)cc1Br 2202351270 IARFHYOBYORISN-AWEZNQCLSA-N 503.843 6.964 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2206396463 XCBPVBWKPIIAOW-NSHDSACASA-N 723.060 8.479 50 10 KKGE CC1(C)C[C@@]1(Cl)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2222046451 AAMPULBINHDCJW-CMPLNLGQSA-N 544.734 7.424 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511092 IVEBZENFMJMHRT-NSHDSACASA-N 526.252 7.795 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232513780 RTFRWTKMJWNBLW-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC(C)(C)N(C)Cc1ccccc1 2234058219 OXTHOEGYOFEYNG-AWEZNQCLSA-N 513.705 6.772 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2257532051 KBAUJFRPXLIYMZ-YQJDLUKNSA-N 501.487 5.139 50 10 KKGE COc1ccc([C@H](Br)c2sc(C)c(Br)c2C)cc1I 2269543679 KMHVRZJEZVZTMZ-ZDUSSCGKSA-N 516.036 6.225 50 10 KKGE C[C@@H](Br)CN(CCC(C)(C)C)c1ncc(I)cc1Br 2272337592 ASPAMOHIVJASJF-SNVBAGLBSA-N 504.048 5.475 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2280677814 WNVNQNZJANEKQG-LLVKDONJSA-N 610.829 8.406 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 2295172609 KFVJLWRGNLVXMV-UHFFFAOYSA-N 653.292 5.684 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1sc(Br)c(C)c1Br 2295259599 YKKMXCQNLBVLQE-QMMMGPOBSA-N 513.036 7.455 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)cc2C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 2295672290 JJJQZSQPPPOXMJ-UHFFFAOYSA-N 527.024 6.432 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 2296545455 RXNMLSLPAPDOAI-UHFFFAOYSA-N 542.798 5.241 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458615 LKCILQMNBUCHRY-HSZRJFAPSA-N 508.430 5.736 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=C(C#N)C(=O)Nc3cccc(Br)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 2297506305 XMQFTZNPDVCNAS-UHFFFAOYSA-N 604.526 6.596 50 10 KKGE Cc1scc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2303646840 UYFNBALFKKNAFG-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)cc1 2313518936 AGBYKVIWPIKFDK-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 2313568903 YQEKOCQRMNEZIH-UHFFFAOYSA-N 551.238 6.516 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592609 YMDWCWXWPPLIOC-DEOSSOPVSA-N 536.484 6.984 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314616658 GNAOQJKNQILMFX-UHFFFAOYSA-N 507.550 5.372 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 2314634429 RSXRAEGEIFGTAK-AREMUKBSSA-N 502.973 6.614 50 10 KKGE BrC[C@@H](Cc1ccccc1Br)Cc1sccc1I 2316737241 VMXYVCZEOOBPBV-JTQLQIEISA-N 500.037 5.912 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Br)c3)sc2c1 2329699464 FHKUUYQSRXCYHX-UHFFFAOYSA-N 547.500 5.415 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402327 PGCFRRFFPIEFJC-HXUWFJFHSA-N 518.019 6.225 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)c1 2331450627 HEZCKQXJAPCSQQ-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331474086 CPBHZXWDPGIJRS-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Clc1ccc(COc2ccc(CBr)c(Br)c2)c(I)c1 2340115609 SPQVNXKTCSUOPX-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Cl 2351641196 PVRQOFZLXOECTJ-HXUWFJFHSA-N 519.035 7.958 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2361200572 KTJFQXAHPBEBAI-ORYQWCPZSA-N 500.221 7.680 50 10 KKGE C[C@]12C[C@H](C1)[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362913076 QAPFGBTZTFURHR-PUDGGNRWSA-N 596.777 6.988 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2Br)c(F)c1 2367461249 SKAQZUNRKWZLNJ-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE CN(CC[C@@H](Br)c1cccs1)Cc1ccc(I)c(Br)c1 2377323446 FHQCMWFRQFTFSU-GFCCVEGCSA-N 529.079 6.073 50 10 KKGE Fc1ccc([C@@H](CBr)OCc2ccc(I)c(Br)c2)cc1 2377612454 QHDCBENIFXCZSU-OAHLLOKOSA-N 513.970 5.846 50 10 KKGE C=CCN1C(c2ccc(Cl)cc2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 12558703 FBXRCXMYUKRYPH-YYDJUVGSSA-N 503.031 5.183 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678904 LZFXDBCJSDVLAB-IVCQMTBJSA-N 519.395 5.603 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 38679064 HIKNPZOCMBFBDQ-MHZLTWQESA-N 520.969 5.340 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(F)cc1 38686900 CMFOITMONCKZSW-HHHXNRCGSA-N 512.493 5.444 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 38688616 KJMMYRMRISYIPP-VWLOTQADSA-N 500.482 5.335 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 40988544 VCDRWLDIGZWBEL-LYBHJNIJSA-N 526.633 5.829 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 58895270 XOVXGFDMTFOWTM-KPHTWCJLSA-N 520.601 5.504 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 100200943 IOOFXWCPBLIISB-UHFFFAOYSA-N 584.349 5.720 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(OCCC(C)C)c(OC)c3)c(C)nc2C)ccc1OCCC(C)C 100930435 YIUWKZDHCHZQEP-UHQZYLKYSA-N 631.774 6.093 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)C1 101066122 JETCQFGXKIKFGE-QYJRXKHCSA-N 548.672 5.900 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(Cl)cc1 101363392 KLKYOZCXAQSFAY-QGZVFWFLSA-N 605.088 7.810 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365362 XKROOFSHWKEEOI-KRWDZBQOSA-N 557.258 5.891 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1 101367267 FWOKUMIUOFWJAE-GDLZYMKVSA-N 583.438 6.474 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OC 101367640 DNMHAJGQAWHIOE-LJAQVGFWSA-N 530.577 5.085 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101372376 OFMKNDXTRROJLA-WYOOIXGGSA-N 584.713 7.369 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1 101377631 BHGRWRBWUBZDSN-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 101378840 PWVOKRNIFIXSDS-MGBGTMOVSA-N 560.650 7.190 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(C(C)C)cc5)ccc43)c2)cc1 101382446 GYDZFBHQLDTOJM-ZWVRTZEQSA-N 574.677 7.289 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382947 ADVKAHPJJXMHBW-XIFFEERXSA-N 595.095 7.419 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384076 DDDSOFCSACVOPW-SSEXGKCCSA-N 540.522 5.746 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385546 ISDODKCZLVMYKD-JGCGQSQUSA-N 595.095 7.662 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387105 JLAVBBQHNGWSMS-HKBQPEDESA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389444 QDBMOEQIBVGREI-VEVGWOLYSA-N 592.623 6.649 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389656 FCLFCNNWGWJXQP-UUWRZZSWSA-N 594.639 6.568 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 101612383 LARUYYYAPLHWOD-NJZRLIGZSA-N 543.447 6.781 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1Cl 102933058 AOFHUIVIQDNCFQ-MFOYZWKCSA-N 591.245 7.187 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1 102934542 RENGIDZLVRDNGF-UUASQNMZSA-N 534.197 6.617 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 103741714 HAJFEVCWCQYDMK-SCIJIFGBSA-N 504.409 5.514 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2 103796008 ZUMITDGMIZGOSC-XKJRVUDJSA-N 616.262 6.428 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103880871 RVDQXHMUTTZILS-RPPGKUMJSA-N 573.197 6.209 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 105201126 JFRCDZNQJTZABW-SXGWCWSVSA-N 547.192 6.789 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)c1 110392614 OBMUJCDOYAAVMN-YBEGLDIGSA-N 523.299 5.912 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 128234276 CHCVPPUZXRPEAV-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 150382801 LYTQVZVCZREAAP-OADPBGPJSA-N 627.704 6.250 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 198741525 MRBBDJXDDBPSRW-STKMKYKTSA-N 542.120 6.827 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCCC(C)C 205657855 KZWJPZKAXGLWLX-HGQDCHSZSA-N 524.617 6.347 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 214372262 ROBYBCBCAXKZMW-VAMRJTSQSA-N 679.799 5.422 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 252620104 LXLQDYXTQSLHLI-UHFFFAOYSA-N 649.574 7.066 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 253530163 JWEOPRVXJUYGSP-MIKHJJJFSA-N 549.678 9.359 50 10 KKGE biogenic O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253572350 QBNDGVHKROITJD-JQJRJOTLSA-N 608.771 7.402 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254289115 DAPCBHJHLFBTCO-JROXKXMCSA-N 539.705 6.538 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 254348617 LQLKAMWZQXQSNQ-HCJCQYPQSA-N 543.649 5.258 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2-c2ccc(C)cc2)cc1 254350117 ONKOXBJQMNTBIS-UHFFFAOYSA-N 585.774 6.794 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1CSc1nc(C)cc(C(F)F)n1 254379248 NVMGSZWSPDIQTE-UHFFFAOYSA-N 545.662 5.876 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C)c(C)c2)cc1OC 254485892 PQGZXZAAKVKTKY-UHFFFAOYSA-N 512.562 5.222 50 10 KKGE CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc(Br)cc1 254594572 VMTMDHWCVPSSSQ-UHFFFAOYSA-N 546.421 5.782 50 10 KKGE O=C(NN=CCCC1CCCCC1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)NN=CCCC3CCCCC3)cc2)cc1 254671129 QQOSHFXBYTVNPT-ZPGRZCPFSA-N 632.802 6.996 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 254703271 RWACIMDUPAOLSE-GAYNXCHWSA-N 518.042 5.725 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cc(C(C)C)ccc2C)cc1 254762565 FGXDHUJOZAZTFJ-UHFFFAOYSA-N 524.617 6.419 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 254832682 HATLGBZLYVACLD-UHFFFAOYSA-N 602.651 5.288 50 10 KKGE COc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382686978 GFHXHTVIWQEKJL-QAPCUYQASA-N 530.200 5.245 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 504096870 YYCIOXJPTWKWAF-MQSUZLNHSA-N 532.838 7.615 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083892471 JQIDDJAZKPNUPQ-UHFFFAOYSA-N 555.297 5.577 50 10 KKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083952860 BZXSGNOUPGCUGZ-UHFFFAOYSA-N 528.077 7.180 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1 1083958880 GAQOEGALMPUHJR-QFIPXVFZSA-N 658.249 5.578 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1cc(Br)cc(Br)c1O 1083992560 DXOBUSPROXAEEP-UHFFFAOYSA-N 529.279 5.550 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccccc1 1084059060 KDVXZQHOORSBRC-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl 1084067659 KNDPRUOEJMJMST-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084131352 KRJFKEWJSLGZNG-NRFANRHFSA-N 544.684 6.605 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084138060 WOBGZHURVJDAID-UHFFFAOYSA-N 695.635 5.408 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084376469 SQVULWNHKLXSEP-VWLOTQADSA-N 517.423 6.489 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 1084573137 ANPWAJNEAAWLDQ-HSZRJFAPSA-N 558.416 5.151 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084631615 KZXPXINCLCHMCE-DEOSSOPVSA-N 635.309 6.061 50 10 KKGE CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=CC=C(C)C(=O)N2)O4)N(CC)CC 1548337572 OPFFQPAPHBUEBG-OLLGLHQYSA-N 868.034 5.923 50 10 KKGE CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCCCCC[PH](c3ccccc3)(c3ccccc3)c3ccccc3)=C(C[C@@H](C)C[C@@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(=N)O)C1)C2=O 1636887212 ZMEDRUNIJRMZFO-QCNHJXOBSA-N 906.114 7.443 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744307 VOBRHCZQUWEBSN-UHFFFAOYSA-N 592.877 7.519 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)c(Cl)c1 1865691486 UANOGDYMMWPARP-AREMUKBSSA-N 559.453 6.697 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694829 CRQAPLKVBJLVJA-SANMLTNESA-N 514.988 6.083 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OC 1865696494 NZUAXUFBNHQEPZ-LJAQVGFWSA-N 568.649 6.542 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865697493 URWCRWASCHCMOE-HXUWFJFHSA-N 553.368 6.271 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1C 1865702996 KHTRBZPPCFLRMM-GDLZYMKVSA-N 541.051 6.398 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705403 UWZBCXMQVGHPCK-MHZLTWQESA-N 544.998 6.630 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1OCc1cccc(C)c1 1865705588 ZRFANZCBOIQIGH-AREMUKBSSA-N 547.442 6.602 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865708547 AXHGZFFEGIPODP-SSEXGKCCSA-N 571.722 5.365 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709627 YMTGJAQONNWEPV-QHCPKHFHSA-N 512.953 5.177 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866671230 CBFHSXCKHFRSHQ-VWLOTQADSA-N 526.618 5.141 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@H](c4ccccc4)C3)n2)c1 1868505274 FMMOVMMGNDOYDH-SANMLTNESA-N 508.651 5.962 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 1872747651 NLXOQEPPUZIEEB-ZZEZOPTASA-N 510.369 5.060 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872749203 GVROUANYFYNMGX-IIPXAIGGSA-N 503.580 5.231 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(Br)c(OC)c1OC 1872752452 CSOKKFYKZVPEOK-UYRXBGFRSA-N 517.357 5.277 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872756105 ROTRHYXSCIKKEL-BAJJNHFZSA-N 519.626 6.436 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1OCc1cccc(C)c1 1872784660 UGTGGGFCHDVNOK-LPYMAVHISA-N 517.448 7.533 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)\c2ccccc2)cc1OC 1873940876 LNJTXGGWBOXKDN-YRHUZAOSSA-N 516.622 8.014 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1915260546 ZUOAVYJKVFJDOF-GOSISDBHSA-N 507.188 6.530 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2sc(Br)cc2Br)c1 1922943645 WATVMJFLWBQBCS-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)ccc1I 1923054402 DYJHTZJMSBDSSZ-QMMMGPOBSA-N 605.742 7.622 50 10 KKGE CCc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583423 JTSZOKSMCUCHIQ-SSDOTTSWSA-N 523.935 7.144 50 10 KKGE Brc1cccnc1C[C@@H](Br)c1csc(Br)c1Br 1924877425 FBFSNYLNTZZTED-MRVPVSSYSA-N 504.867 6.109 50 10 KKGE Clc1cc([C@H](Br)c2cccc(Br)c2Br)sc1Br 1943903228 MTCBXZLTKICMFV-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2CC2)c1Br 1995047523 HZARDFHGLMOLSP-ZCFIWIBFSA-N 540.713 6.973 50 10 KKGE Cn1nc([C@H](Br)c2sc(Br)cc2Br)c(Br)c1Cl 2001991262 GCNHTJLRUPNGHI-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(CBr)cc1)Cc1ccccc1 2009622688 UILAPNKIJNTKOF-UHFFFAOYSA-N 501.490 5.046 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1C 2053623232 NIXDXONMDOLNCW-UHFFFAOYSA-N 592.355 6.752 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1C 2053623455 ZLNDZYFTMQXZOQ-UHFFFAOYSA-N 568.367 5.431 50 10 KKGE C[C@@H]1C[C@H]1CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497172 ZBBPTFGJSRSBCG-XSSZXYGBSA-N 524.316 7.453 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1Cl 2086149645 QFIDJFHQEBSFLQ-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1Br 2123245089 DLVYPDIKAIJYBU-OAHLLOKOSA-N 501.284 5.642 50 10 KKGE CC1(C)C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468033 FZAVWTONMMMEEV-WKEGUHRASA-N 584.766 6.988 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1Br 2201081006 BYWTYUKANPCUFC-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(C)ccc2I)cc1C 2241003033 YLOLXUWPQWSFOP-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272722481 TZRJGXNXMMZYCV-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293198281 PZXGELVBTPGRRK-JOCHJYFZSA-N 540.389 5.792 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2295359392 GHAHKQVZLYUEAJ-CYBMUJFWSA-N 548.294 7.120 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 2296721759 PRZDADCHKXEAGV-UHFFFAOYSA-N 508.578 5.863 50 10 KKGE CC(=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 2313526864 WURFYXRTBGAEHD-UHFFFAOYSA-N 567.258 5.041 50 10 KKGE CC(C)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593172 IOTXRUZGJJUYQO-MHZLTWQESA-N 513.663 6.269 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593456 NCNPXFLJOOCAAC-GDLZYMKVSA-N 539.701 6.171 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594096 YZGUGUANYDKRPV-BCHFMIIMSA-N 576.516 6.151 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1C 2314610158 DDFONHNXTCVTOD-UHFFFAOYSA-N 534.660 6.585 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314617573 FGFMDIOAVSCWGZ-UHFFFAOYSA-N 564.645 6.884 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314618817 UVLYSUZPAXPRSI-UHFFFAOYSA-N 641.555 7.444 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643411 XKESRPMXJOVSMY-UMSFTDKQSA-N 627.524 8.117 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 2314643454 YNTAXNHUHXXQCH-HKBQPEDESA-N 552.989 6.895 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646699 JOWPRDSPMKLVNS-GDLZYMKVSA-N 632.742 5.553 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(CC)cc1 2314760152 ILVXQUJAHKOUJQ-UHFFFAOYSA-N 502.567 5.229 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)ccc1F 2331320402 JVEASORAZBSTRN-UHFFFAOYSA-N 509.562 6.625 50 10 KKGE Cc1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337086695 OXKUBNOQZKFUCO-JTQLQIEISA-N 511.863 7.465 50 10 KKGE O=[N+]([O-])c1ccc(Oc2cc(Br)cc(I)c2)c(CBr)c1 2364104788 CCDQAVUBPOQFKA-UHFFFAOYSA-N 512.923 5.649 50 10 KKGE COc1c(CBr)cccc1OCc1ccc(I)c(Br)c1 2377255533 QMPBGZCVANFHLA-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2cc(Br)c(C)cc2Br)c(Cl)c1 2381300814 YNGPCPZXGXIZJP-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)/C(C#N)=C/c3ccccc3)cc2)cc1 3287525 VWUCFRHXPPHNHI-XWFQURHXSA-N 537.579 6.030 50 10 KKGE Cc1cc(/C=C(C#N)\C(O)=N\c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)n1-c1cccc(C(F)(F)F)c1 33667610 ZHZVYOYILGKWCV-MFOYZWKCSA-N 512.444 5.988 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N1CCCCC1 35446249 OYUNQLYLPSBVFH-BWAHOGKJSA-N 506.581 6.177 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38684617 IHZXGRVKTGTNGK-XMMPIXPASA-N 503.898 5.250 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CCCC2 39884917 WBNJLGSGBQQTSX-ACCUITESSA-N 501.391 6.526 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(Cl)c5C)c(C)c43)coc2c1C 40826648 OSLMQEPSEHENQF-AWSUPERCSA-N 518.013 6.564 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(Br)cc2)cc1 96563677 AKKYKUIBVYLXPQ-OUPLGOGSSA-N 519.443 5.217 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 100235752 NTOKWDNEWVWXIT-HHUCIZBTSA-N 624.359 7.096 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(OCCCCC)c(OC)c3)c(C)nc2C)cc1OC 100930434 MDWGOOZTJCZBAE-BVDGQYGUSA-N 631.774 6.381 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065534 FAKRVTVYYURHES-KBVAKVRCSA-N 568.777 6.745 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@@H](C)C2 101193751 BHTSKLAKFWAGHU-FQZGENGWSA-N 529.445 7.162 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246444 XSHCRZCJHYDCLW-NNHPPCHPSA-N 518.038 5.976 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101335621 GBJRCOXPLKXFLJ-NDZAJKAJSA-N 593.083 6.400 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 101338821 AHVBCMNMPVMVSM-PCLIKHOPSA-N 522.605 5.481 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Br)c1 101363494 IVPAKBPTOWASOH-LUAJHVPRSA-N 542.216 6.593 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367565 POGNJHGRKRYBJB-WJOKGBTCSA-N 553.014 6.294 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCCC)c(OC)c2)cc1 101372219 FIKMLIHWYGCHKN-WJOKGBTCSA-N 554.643 6.656 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 101373691 CQXAFNJCBWFMMP-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384519 ZSNIZRABDWYYPC-WJOKGBTCSA-N 536.559 5.780 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1Cl 101391959 UQVOIBJJJSHQGO-OAQYLSRUSA-N 536.198 6.746 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 101398968 HXJQOTJDKZUJMU-PMERELPUSA-N 609.103 7.888 50 10 KKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 102933165 MFGOSALQPJWVPM-WZUFQYTHSA-N 529.572 5.718 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1 103797306 QZZIHFWBXTXXMM-FJEPWZHXSA-N 563.404 5.974 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1Cl 103877413 FSGSGWHKASSTMV-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc2ccccc12 103884628 QXIJAMJEPOZJFK-JBASAIQMSA-N 543.667 6.412 50 10 KKGE BrCCCCOc1c(I)cc(I)cc1I 109318373 LNQCTLBNDBPCHV-UHFFFAOYSA-N 606.805 5.054 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 150388767 NMSPCYRUGUNCPZ-XYGFUISMSA-N 720.661 5.130 50 10 KKGE biogenic O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(/N=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 150423286 XZHWNTSMHZFUJQ-HLVKTBDNSA-N 657.595 6.456 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1 197665715 PHBUYMFGQUTRIC-YBFXNURJSA-N 594.674 7.749 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205656934 CZGUKHGOSHHKIH-AWPOKNFJSA-N 566.698 7.399 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1C 206396843 WPWJFFIVIFJCRB-IQWDKGINSA-N 588.660 6.433 50 10 KKGE CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)Cc2cncn2C)c(C(C)C)c1 224760505 WRQMRAGSDVXWEV-WJOKGBTCSA-N 660.013 7.257 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 252611076 IGZLEMFFCAOBMS-UHFFFAOYSA-N 582.509 6.303 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C)cc2)cc1 254392004 JARIZNUMWQIRKD-QUEXSVQRSA-N 528.594 5.067 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 254398105 KHHOLSPZXBTLPL-UHFFFAOYSA-N 557.657 5.174 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 254521046 QSIKETLMFYAUIR-KTNPJTGOSA-N 639.709 6.296 50 10 KKGE CC(=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 254597569 KBHXGRXYETYGED-UHFFFAOYSA-N 504.659 6.693 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c(OCc4ccc(F)cc4)ccc4ccccc34)cc2)cc1 254822090 ZASBQOVNIZQIAV-UHFFFAOYSA-N 567.642 6.431 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(I)cc2c1OCC2 721588366 OMRWXTCXQRYLRB-AWEZNQCLSA-N 575.409 5.921 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 725426191 ZQBZGUXLZFYNBK-UHFFFAOYSA-N 568.017 5.883 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1083945443 FWHRJSYEBNMCBS-UHFFFAOYSA-N 683.624 5.264 50 10 KKGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084038227 HNEDUKWVUVTMCR-UHFFFAOYSA-N 594.893 6.574 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084096055 AHLBYIPZNHCAIY-UHFFFAOYSA-N 571.699 5.627 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 1084096936 PUFPFCPGYRAOAS-LZYBPNLTSA-N 662.138 8.428 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N 1084104370 XCJMMLKNEJXKTD-UHFFFAOYSA-N 629.558 8.158 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2ccc(C3CCCCC3)cc2)cc1 1084229868 WDKUJOCINIZFSW-UHFFFAOYSA-N 506.624 5.340 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084274029 VDLCHDPZMFRNFM-KGENOOAVSA-N 618.302 6.433 50 10 KKGE Cc1c(Br)c(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084346126 USBSSCQMSFFPIL-UHFFFAOYSA-N 581.308 6.005 50 10 KKGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084412487 LXVDQCUTIISYAP-WUXMJOGZSA-N 671.056 5.690 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1084442068 WUHJIGPRICVAEK-UHFFFAOYSA-N 606.144 6.280 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CI)C1 1614616477 REDHWXUGIGRKDV-JKSUJKDBSA-N 500.720 5.035 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773652 YYGPOUVOBLNWHS-RYFDATGNSA-N 629.175 12.649 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)cc1 1772746617 XMGJSFCLPTZHEB-UHFFFAOYSA-N 509.562 6.112 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747835 UUQFRNSDVCIVEB-UHFFFAOYSA-N 548.905 5.820 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(C(C)C)cc1Br 1772754741 RZDRKMMNEBYYCN-UHFFFAOYSA-N 529.862 6.642 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 1865682432 OCYJPTSBUJQOCL-FQEVSTJZSA-N 515.322 6.628 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1 1865687244 MYGAUYUMGNUFCU-HHHXNRCGSA-N 530.987 5.838 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696479 NRBIIDKQTBOACH-QHCPKHFHSA-N 501.384 5.664 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701279 REWVBGYNKNLFHW-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)c1 1865703217 QGGYCERDWUEYCD-VWLOTQADSA-N 564.995 7.018 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704421 VIRSANGTPLRLSW-WJOKGBTCSA-N 561.085 7.488 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704458 WKKPVAVHANKGLN-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)nc(-c3cccnc3)n2)cc1 1868564821 FNOQINCHWUHANA-SSEXGKCCSA-N 540.696 7.592 50 10 KKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743749 KMPXMHROAJLFJW-FLFQWRMESA-N 506.414 7.007 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747222 SUTNBNTYYCKEMH-YJXMDDLCSA-N 515.978 7.457 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 1872757945 DKNSDCKXXOMMSR-RNDJKCMBSA-N 501.652 6.406 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1C 1872758013 HIUCVZSFPSFUCD-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872791010 QKSAVBQHTSTSCQ-HYARGMPZSA-N 507.631 6.358 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2occc2Br)c1 1899858355 GBDZIYODQXMLQD-KRWDZBQOSA-N 501.012 6.868 50 10 KKGE Cn1ncc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1I 1923041137 YWTOMSUMSZVMIT-YFKPBYRVSA-N 530.838 5.593 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1I 1923054114 APNZPENCHIBGPN-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE CC(C)(C)c1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071730 KPCRDULPLPCTFG-NSHDSACASA-N 501.509 7.708 50 10 KKGE COc1cccc(OC)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923073018 TWPUEBWHYBILRR-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE FC(F)(F)c1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924600449 DPGJRZOQKRIWGP-MRVPVSSYSA-N 557.849 7.539 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)ccc1Br 1925586398 YRWLGIWFEXBYAN-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE FC1(F)C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779215 DTLUWPSRIDGISZ-ZQEGFCFDSA-N 518.215 6.672 50 10 KKGE COc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3S2)cc1OC 2053614955 RCIJSZVEAKZJNO-UHFFFAOYSA-N 575.646 6.418 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)n1 2060856037 NIEWREYJGPLNOI-LURJTMIESA-N 586.767 6.499 50 10 KKGE CC(C)C[C@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494223 KNQCQTCGQCRSHR-WRWORJQWSA-N 570.783 7.855 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468186 HGKCEQKEQDWDNZ-TTWOZLTLSA-N 594.683 7.371 50 10 KKGE CC1(C)[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141473215 MNIFZZRKDSUSMG-ZJUUUORDSA-N 590.720 7.464 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1ccc(Br)cc1I 2142285594 RLTLPVDGXQTXPW-RTHLEPHNSA-N 515.414 6.295 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1Br 2179826163 PGNOPPFQAKZWNJ-SFHVURJKSA-N 517.283 5.022 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2206398275 SQFOLOLUYXYGCI-GIHMMQTOSA-N 597.809 6.951 50 10 KKGE CC(F)(F)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206400837 STVDTIVAANLLCU-NSHDSACASA-N 604.747 7.998 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)cc2Br)s1 2221834449 DYYIOGVYASBPGT-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE CC(C)CN1C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222447044 CFAYIBYNIHZTNM-JGVFFNPUSA-N 524.942 5.854 50 10 KKGE FC(F)CCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2222475448 ULKFQMPTWZIWQA-ZETCQYMHSA-N 534.258 7.452 50 10 KKGE Cc1c(F)ccc([C@H](Br)c2ccc(Br)cc2I)c1F 2231084168 FONGHBDJZOKTRK-CYBMUJFWSA-N 501.934 6.125 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508166 BROHPDVCUAKAER-JTQLQIEISA-N 526.252 7.795 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)ccc1I 2236111066 SOESYKKYJSYXBZ-GFCCVEGCSA-N 519.924 6.264 50 10 KKGE Brc1ccc([C@H](Br)c2ccc([C@H]3CCOC3)s2)c(I)c1 2240425090 WKRRJEKUJKSWMV-VFZGTOFNSA-N 528.047 6.103 50 10 KKGE COc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)c(Br)c1Cl 2283554402 SXJRUONGPMAOKL-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567094 FZNOIGVXPDESSU-UHFFFAOYSA-N 720.305 5.639 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2313567339 JBXYEDAJWNGOOQ-UHFFFAOYSA-N 570.904 6.880 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568497 WGWASZBOOQMPMI-UHFFFAOYSA-N 653.318 5.760 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OCC 2313630771 SHAGXEUGJKAUHD-UHFFFAOYSA-N 500.418 5.604 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314447653 AKTUPTCMPXGUBJ-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314482332 IAIOIDPFHIBZIH-UHFFFAOYSA-N 519.932 6.204 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592586 YERNDPZRLLALDK-VWLOTQADSA-N 536.484 6.984 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593347 LLSJHNJDMIOUQT-SANMLTNESA-N 516.066 6.206 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314611288 SHQWNFZLXIPEOV-UHFFFAOYSA-N 536.676 6.808 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314619986 ITZBENJOMWRHLP-UHFFFAOYSA-N 655.154 7.615 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 2314643131 DQCCFWLNCBLIIB-MGBGTMOVSA-N 595.051 6.773 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 2314790157 UDRKDNYQIISQDL-UHFFFAOYSA-N 536.220 5.019 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2sccc2I)c1Br 2315460887 NZQQDUONXZPNDY-VIFPVBQESA-N 589.287 7.155 50 10 KKGE COc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 2328799979 NZTXCUIXAYFKNM-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 2331344741 JFNNQJQPBPULEX-UHFFFAOYSA-N 515.635 6.638 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398090 DVYVDTBUYAVPSJ-NRFANRHFSA-N 507.999 5.976 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccccc2Cl)n1 2331474860 PWCPFXISTKBLQE-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)cc2c1OCC2 2364235046 NJWYCEGWWHYKTO-VIFPVBQESA-N 529.852 5.127 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2scc(Br)c2Cl)c1Br 2365233023 SFFDLGZQONXUDA-LLVKDONJSA-N 523.899 7.334 50 10 KKGE C[C@@H](Br)CC1C[C@@H]2CC[C@H](C1)N2c1ncc(I)cc1Br 2366973609 SVSIZQLTWMIDEU-KVAMGIGCSA-N 514.043 5.370 50 10 KKGE Clc1ccc(I)cc1CO[C@H](CI)c1cccc(Br)c1 2380354203 VVSAQHTXZZBVGT-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE O=C(N/N=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1sc2ccccc2c1Cl 2395795 AEGPTDSINHJHCL-QWKCNVQFSA-N 521.041 7.906 50 10 KKGE Cc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 3084648 DLABLILNRVCLRB-ZCTHSVRISA-N 548.064 5.573 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 32520769 ACHFHPXQXPVVCZ-WKULSOCRSA-N 518.063 6.924 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)c1 38684123 QBXZLQDHVWVCMN-MHZLTWQESA-N 500.551 5.176 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684493 RKWFVRJVXNTTOZ-AFJIDDCJSA-N 512.606 6.190 50 10 KKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100153780 DETDIRBMPYSIML-UHFFFAOYSA-N 519.480 5.936 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229572 BXDMHPPMLQRVNS-MRVPVSSYSA-N 531.017 5.056 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 100236819 JELJKRAGRVJJOY-HHUCIZBTSA-N 579.908 6.987 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 100883474 SMFJWVIQGMXRDS-QOMWVZHYSA-N 575.068 7.716 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243064 AZAZRLJPJOVCAZ-POXSGSEBSA-N 550.511 6.859 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101338828 DIFKJQYVUJDTIH-WPWMEQJKSA-N 504.634 6.390 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101368940 ROTCNIUIHUZZLO-AREMUKBSSA-N 549.421 6.074 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 101368969 TXGHSGROGVEQEP-BSEYFRJRSA-N 539.357 5.188 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1 101378574 RTTXEZBJZUZVDG-GDLZYMKVSA-N 533.540 5.920 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)c(C)c5)ccc43)c2)cc1 101382323 NQTKONBKBHMRGV-MGBGTMOVSA-N 546.623 6.393 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383908 CZJASZUSMGCGKK-GFJKYASSSA-N 564.613 6.558 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(C)cc1 101385335 PONOFTBJEHTGOV-XIFFEERXSA-N 576.649 6.402 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101392997 OPMLTOJPOACNQF-MHZLTWQESA-N 575.086 7.488 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101395701 KOWLQQONXMXPEV-PMERELPUSA-N 587.072 7.800 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396060 UNBJCGBPXFBQBV-QHCPKHFHSA-N 551.451 7.434 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101397982 KWKNSNIDMPYXHQ-IHLOFXLRSA-N 601.442 6.536 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1OCc1ccccc1 101766508 VQOVKCQGUWADPT-IPPBACCNSA-N 590.312 6.452 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 103828914 KWSCMEPWIIIRPL-CBMAIOFOSA-N 565.432 6.380 50 10 KKGE Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)nc2ccccc21 105425941 YNVRGQZJQOYUCZ-NCELDCMTSA-N 525.587 7.208 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 109844365 FWMGQBPPLDJEAE-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE CC[C@]1(C)[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 117316419 XQJZLNWPQOUKIS-DMDPSCGWSA-N 602.419 5.675 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 150462526 XGAXAASEZKKGJE-SBCAZUFSSA-N 630.726 5.329 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1 150482089 LNWXKXVEZYZING-UMSFTDKQSA-N 659.566 8.587 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 163803754 SAEILEGYRDLPDF-XZYGTATASA-N 735.376 8.071 50 10 KKGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 206543522 UHPPMOMMPVOIBU-CSMVZQPBSA-N 538.556 5.204 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1C 206740954 LBBFPZPATIDFDQ-KQWNVCNZSA-N 502.567 5.283 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214404906 QERGDRQGDLSNIY-VEILYXNESA-N 536.628 5.816 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 233778886 PSZFEWXBFQRVGD-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 252633817 WGWCGTZWZNATSX-UHFFFAOYSA-N 597.838 6.614 50 10 KKGE CCOc1ccc(C=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2nc3ccc(F)cc3s2)cc1 254327858 ZEQDDLSLQITHMQ-UHFFFAOYSA-N 509.475 5.331 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)ccc1OC(=O)c1cccnc1 254383220 FJTUULOPMQWYHY-UHFFFAOYSA-N 556.578 5.387 50 10 KKGE CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C[C@H]1I 254391141 LEWFGYWUDKXYIJ-NNJHSVAJSA-N 556.613 8.453 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254410189 FSSHPONWLIYYDE-MMSUECENSA-N 513.550 5.028 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 254448423 JQNNETWPIAKOIW-UHFFFAOYSA-N 638.312 6.782 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 254486312 RVNRUKXLNHQQRB-UHFFFAOYSA-N 580.666 5.306 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254628711 DTKFSGMVEXWHFJ-UHFFFAOYSA-N 556.791 9.771 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254629197 FHDSEANTFKBVOK-UHFFFAOYSA-N 530.709 8.219 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254704584 RPECXBYLDCYIEV-XXMUQJIZSA-N 512.613 5.980 50 10 KKGE CCc1ccccc1N(CC(=O)NN=C(C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 254735378 ADXICCJAKSWIPP-UHFFFAOYSA-N 505.684 5.613 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 254744834 FFRFBMCERRBLGS-UHFFFAOYSA-N 502.611 6.046 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1O 254764679 MRXMZJNQLCOZNX-UHFFFAOYSA-N 529.666 5.497 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(F)cc1 254814871 XOUAMTXAWVIPLP-UHFFFAOYSA-N 501.631 6.003 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1ccc(OC(=O)[C@@]34CC[C@@](C)([C@H]3Br)C4(C)C)c(-c3ccccc3)c1)[C@H]2Br 256019940 MXZBYHNXKPRTPT-PFAWQXEKSA-N 644.444 8.344 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@H](O)C(=O)[C@@]12C)C3(C)C 504772395 BUIVYZUATKNANR-NKOBCFDHSA-N 773.125 7.141 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616585923 GEYKFJRDKMXPMQ-SUUDYLNVSA-N 702.964 7.691 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1cccs1 725238815 QCAPUWYRMCXFBU-WJOKGBTCSA-N 574.146 6.506 50 10 KKGE CCON=C(c1ccc(F)cc1)C1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725239177 ZPIPFNCVPPVBTK-HHHXNRCGSA-N 610.073 6.899 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c2ccccc2F)cc1 725379503 NMSUUMXSFSXAFQ-UHFFFAOYSA-N 531.609 5.059 50 10 KKGE CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725389778 UCRQYGBKGICBQH-DUELTEGESA-N 508.021 7.179 50 10 KKGE CC1(C)O[C@@H]2C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)=C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 888087849 CZIQXKKUWAFYDU-AXEMHBPCSA-N 666.934 8.400 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cccc(C(F)(F)F)c2)cc1 1083980128 NCJXDBYJJZAKGY-UHFFFAOYSA-N 596.675 6.384 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1 1084002594 GLVDINGROQSELY-UHFFFAOYSA-N 586.255 7.168 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 1084051169 JDBMEGKGRNROSM-MUUNZHRXSA-N 734.372 6.991 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 1084188282 TVZJLFZNUXWJJJ-UHFFFAOYSA-N 537.838 6.072 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(I)c1 1084247854 DAQBQWIIPTUCJS-UHFFFAOYSA-N 539.156 5.581 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084267748 YXKMHVORJOGHFX-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 1084536184 ILUZAQMQEYYTNG-QHCPKHFHSA-N 541.000 5.019 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)cc1 1565517988 RYCIITYHYVPDFM-XKOYNEDTSA-N 585.060 6.066 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772751870 ORGZKTWWBXSOEB-UHFFFAOYSA-N 541.648 6.782 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3O)CCC4)ccc21 1772751966 QDSHCWFQTMOZSF-UHFFFAOYSA-N 520.589 6.144 50 10 KKGE CO[C@@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@H](OC)C(=O)[C@H](C)C[C@@H](C)/C=C\C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)/C(C)=C/C=O 1848432826 SQLZDXFTEMMIKN-SPXOWBPBSA-N 946.185 5.009 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)C(=O)OC2 1848435768 OSEKHTMTABJUIJ-WSTQAKFESA-N 711.010 5.700 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865688295 OOQMKAPBIMYDCP-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1865688410 RGGBNKJVFHRREA-JGCGQSQUSA-N 542.639 6.838 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865690852 CPSZBPVNYUUYPI-HSZRJFAPSA-N 555.448 5.801 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865691455 SGHNBGBJCJDZAP-QFIPXVFZSA-N 557.876 6.256 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865691474 SRPFEVJGKHLGTR-JOCHJYFZSA-N 546.977 6.730 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865693205 SQYHRALNSULNLR-SANMLTNESA-N 508.578 5.151 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OC 1865694753 AUWGWTGOEFQZQI-VWLOTQADSA-N 528.996 5.827 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699620 YMIQKEKHRWUUFC-NRFANRHFSA-N 506.990 5.988 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701417 VFGBILIUVXPKMD-SANMLTNESA-N 500.961 5.830 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701438 VSBLOGTWAXOPSW-KRWDZBQOSA-N 571.056 5.936 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1C 1865703032 LGJIZKLIRQFBLU-MUUNZHRXSA-N 571.475 6.448 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865703076 MOOFXXQNWUDOHT-PMERELPUSA-N 542.614 6.843 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703110 NBKFBQAJSLJOQK-MUUNZHRXSA-N 508.597 6.129 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865704575 ZBOYWEGHNMTCNB-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710042 NBJJQJJPWHESAQ-DEOSSOPVSA-N 557.950 5.099 50 10 KKGE CC(C)C[C@@H](C(=O)NCCCBr)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865905662 XJWFJJUBNBCHCS-QMMMGPOBSA-N 519.050 5.212 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OCCOC)cc3)c2C(=O)OCC)cc1 1866215147 DRLBMHJSSQHZGK-OQKWZONESA-N 534.634 5.951 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)\c2ccccc2)cc1 1872758767 PNUVTOLNTDPGFW-GFVVYQSLSA-N 515.034 7.904 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c(OC)c1OC 1872759784 ZNLMVZUDVPTDDW-GYHWCHFESA-N 502.592 6.641 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCc1ccccc1 1872795334 ZQRGUGALOYJIOD-JJIBRWJFSA-N 518.638 8.014 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC 1903846637 KASDHRXLYQOAKZ-REXPHDDASA-N 810.466 5.719 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915131825 AQWKYEIJCFQQBA-GFCCVEGCSA-N 510.089 6.089 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924586047 SWCPWECDKZWWRG-QMMMGPOBSA-N 568.748 7.282 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CCCOCC2)c1Br 1924616261 MZNJNTAORKFGAZ-JGVFFNPUSA-N 525.926 6.678 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)s1 1951017187 ZIKGYOWNNVODBR-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE Brc1ccc([C@H](Br)Cc2ccccc2I)c(Br)c1 2083316904 APSUODITBFXEIS-GFCCVEGCSA-N 544.850 6.495 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cnn(C)c2I)c1Br 2083319480 ZETDLNSBJKDJEH-NSHDSACASA-N 548.842 5.342 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12COC[C@H]1C2 2085492212 IAMWEZDGJBLFME-XBZVRZDZSA-N 524.272 6.053 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085494042 JTXJHIQLDSWJQW-GOZTUDAPSA-N 570.739 6.598 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1csc(Br)c1Br 2093942374 QLUVRZFXWYDGBK-NSHDSACASA-N 533.905 6.837 50 10 KKGE Brc1cccc(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2094670804 GGVHVFHDRLNWSW-CYBMUJFWSA-N 529.917 7.397 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(F)c1I 2097825700 YIIQEGHXCNASED-LBPRGKRZSA-N 522.352 6.470 50 10 KKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469670 WIBKCFSUEKEDQR-GJMOJQLCSA-N 584.766 6.988 50 10 KKGE Clc1csc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141470136 FJPISMXMSVGUNJ-SNVBAGLBSA-N 593.187 8.433 50 10 KKGE Fc1cc(Br)cc(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c1CBr 2186709927 IHMMQMJGXUWSDQ-GOSISDBHSA-N 510.167 5.736 50 10 KKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206394478 HCQOCCCQXHZOJV-RNCFNFMXSA-N 598.837 8.635 50 10 KKGE Cc1cc(F)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398101 QUFDPRRCRXKHKS-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2I)c(F)cc1F 2207261607 MHKIVIBTNWDKCS-HNNXBMFYSA-N 515.961 6.379 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1csc(Br)c1Br 2218604950 BLSITOZOMYVGGW-JTQLQIEISA-N 542.287 7.265 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(I)c2)c(C)c1Br 2227351478 MNJHDDVQDKFRPP-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1C 2236841362 IRMUBEXOLLKFKC-CYBMUJFWSA-N 566.378 8.052 50 10 KKGE Fc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(I)c1 2277962585 JFCIAMTYEUEXJS-CYBMUJFWSA-N 518.389 6.478 50 10 KKGE Cl[C@@H](C[C@H]1CCCC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2281370795 JEYJDGRIHVTSMF-KCJUWKMLSA-N 550.354 7.987 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccc(Br)cc1 2288494094 BKXIZOJTANPLHN-VIFPVBQESA-N 533.830 6.931 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2293198151 AKHBLMOVUQMKHU-JOCHJYFZSA-N 556.844 6.307 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 2297458708 XFMXCNCQBIPHDA-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299528465 RUHOJQMYPMDVIC-IBGZPJMESA-N 515.039 7.176 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521526 USEPAEZAUFNKBP-UHFFFAOYSA-N 567.352 5.789 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)sc2c1CCCC2 2313570647 BWHYRSHWFLTNOM-UHFFFAOYSA-N 542.488 7.064 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313571219 QAZORCMPDVUZBJ-UHFFFAOYSA-N 591.245 7.187 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2)cc1 2313571306 RYAHPLKUBJMCCE-UHFFFAOYSA-N 516.428 7.526 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CC=Cc1ccccc1 2313646620 STLLPUSWCFJEGM-UHFFFAOYSA-N 623.369 6.306 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OCC)cc1 2314594032 XRZJYCLGYTXPNX-OAQYLSRUSA-N 502.423 5.121 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 2314793484 UEKSFKVEDBXPJA-UHFFFAOYSA-N 553.478 6.997 50 10 KKGE ClCc1ccc(Oc2cc(Br)cc(I)c2)cc1Br 2316759649 MUJDDHNNXKYCQU-UHFFFAOYSA-N 502.371 6.347 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 2331331974 PICZESYLKFBSJD-HXUWFJFHSA-N 515.635 6.130 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCCN1CCOCC1 2331421805 UJZAKTRBBSCSCW-UHFFFAOYSA-N 516.450 5.901 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(I)cc2)c1Br 2365188264 JRYIYGPPKQQZIB-CYBMUJFWSA-N 574.876 6.618 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 11852127 NMTLAINIRRRCBU-ATVHPVEESA-N 524.827 6.955 50 10 KKGE CCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 14647312 DXFHDRFWYXELHI-UHFFFAOYSA-N 504.208 5.165 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1 33355311 HBQWBZBTNJCCAD-HAHDFKILSA-N 567.907 9.112 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2nccs2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 33621873 ODYQWCXEWNHBCE-YBEGLDIGSA-N 516.501 5.124 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 38688620 BFHJFMPCLZLIPK-SANMLTNESA-N 510.546 5.813 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 40911596 CDRKHPSRGHRFNC-XKJRVUDJSA-N 521.828 6.380 50 10 KKGE C=CC(=O)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 59464866 YNFNERBOYBNJBS-VHEBQXMUSA-N 503.081 5.114 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 97968667 MQUPOOJTAVIENK-KVHSSYOWSA-N 573.299 7.470 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cn(Cc4ccccc4Cl)c4ccccc34)o2)cc1 100211053 BVJIAUZOVRWGFF-VTNSRFBWSA-N 525.992 6.544 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242487 LZGNCEUJVSVFRS-RKZIHRPTSA-N 542.444 5.728 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 101338930 QFKJJARZYFPXPB-ZTKZIYFRSA-N 550.728 7.356 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101375069 VFKMQALHJLUEOL-KEEVHDRGSA-N 560.622 6.240 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384961 ZTINNQJIYQYVMQ-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1Cl 101391974 GOVZAYLVPHEMDJ-DEOSSOPVSA-N 578.279 7.916 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101393256 YZAURQWZPYAXRV-PMERELPUSA-N 566.654 7.373 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1F 101399457 IBXUHQOOPTWAHW-MGBGTMOVSA-N 604.634 7.522 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 101712888 LJQUDFFVVDWVMF-KVAAJVFYSA-N 571.545 7.824 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 102399673 NPUHFBXGQDRZKS-MOSHPQCFSA-N 523.452 7.023 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 102666212 IOMSFXYLSCBLFC-OVGGYYKHSA-N 524.429 6.067 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cc(Cl)cc(Cl)c1O 103731972 RBKCYVMFSIKWPR-LTGYVZTRSA-N 527.471 7.208 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2-c2ccccc2)cc1 103756535 CXFBBOMUVDRGJT-FSGOGVSDSA-N 587.683 7.997 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 103877781 UGGXVBAWUKVJJW-GUBAARJWSA-N 560.097 8.178 50 10 KKGE COc1ccc(N2N=C(c3ccccc3)/C(=C(/C)NNC(=O)C(c3ccccc3)c3ccccc3)C2=O)cc1 103920660 OIBCBPUPTZBUGE-XAYXJRQQSA-N 516.601 5.173 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 128548974 VIXRQAFYQMTJIK-ZDUSSCGKSA-N 501.034 5.783 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150414243 USZLRIATJVJMDS-NQWDTQFISA-N 648.741 5.172 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 150428529 WSONAUDITFZIPZ-ZZJXEYPFSA-N 671.757 6.649 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(C)cc1 150428753 JWSMEKOJKJBZEG-MHZLTWQESA-N 652.572 6.871 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1F 150443256 LJRMCIKODIREMM-JGCGQSQUSA-N 669.503 8.058 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1Cl 150460798 IIFNMJWYUKDDAA-JGCGQSQUSA-N 663.529 8.336 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC(=O)c1ccc(OC)cc1 150639728 SYOUTSVXTZJDSJ-UNOMPAQXSA-N 627.391 5.680 50 10 KKGE O=C(O)Oc1c(Br)cc(Br)c(CC(CBr)(CBr)CBr)c1Br 204992361 LAOSISJVBCPDAI-UHFFFAOYSA-N 681.633 6.745 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214324048 XPJAHXRDTJOZCH-UIYSYRJOSA-N 584.676 6.198 50 10 KKGE Clc1cc([C@@H](Br)c2cc(I)ccc2Br)sc1Br 236068937 OCJOQIVGCVNAEI-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(I)c1 236207101 AKIBTQJFUSWIBK-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254699396 TXIADMWXOWUZCC-UHFFFAOYSA-N 529.666 5.579 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nnc2-c2ccc(C)cc2)cc1 254734998 RDDBTROKECWVEH-UHFFFAOYSA-N 523.618 5.353 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019782 DJMOBJZNPXKTPT-WBYFRWOPSA-N 890.026 8.151 50 10 KKGE CC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 256069041 SQMOQKQEYJNUJJ-DKYGNAELSA-N 635.047 8.979 50 10 KKGE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616576160 FCXQCHWLXSOOJO-WRHNGFHOSA-N 529.033 5.328 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1scc(Br)c1Br 705464234 MTUCHLZLFZOYOM-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE Cc1c(C)c2c(c(C)c1OC(=O)Oc1ccc([N+](=O)[O-])cc1)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 888087435 CLQIBMXXWRIYFN-NNLWJYRWSA-N 595.821 10.621 50 10 KKGE CC1=CC(=NNC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 1081818021 NJXPVAVICLRJJI-JXMDSVDJSA-N 545.765 5.847 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 1083946183 XHCCREQEQXZOKP-UHFFFAOYSA-N 528.790 5.807 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1cc2ccccc2cc1O 1084021496 RPOXKXOJUIPKKJ-UHFFFAOYSA-N 532.581 5.753 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 1084054252 KXFFGBAXVDPZQG-QFIPXVFZSA-N 531.834 5.654 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(C)cc1 1084064641 XKAOYJNAPIDBFG-HYARGMPZSA-N 507.417 7.164 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(C)cc(C)c2)cc1OC 1084119837 ZQHNOOYLNGXBBN-UHFFFAOYSA-N 643.593 6.381 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1Cl 1084344453 GKZNGVVOJMQHED-UHFFFAOYSA-N 565.073 7.064 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)c1 1084387888 CFLXISJDMYZIPG-WSDLNYQXSA-N 593.319 6.846 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 1084456326 XMYFZYHLEJJLAP-XMSQKQJNSA-N 506.386 5.532 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084472248 WTDYLPJJKIEKNO-UHFFFAOYSA-N 626.580 6.636 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2ccccc2c1 1084473460 FGCSWLVFRYGTEH-CIAFOILYSA-N 526.374 5.417 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cccc(OCc2ccccc2)c1 1084475815 HDPYGEOVDGTOHV-UHFFFAOYSA-N 532.232 5.628 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4Br)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084519879 LUEIOLWESDQJPS-DUELTEGESA-N 606.586 7.066 50 10 KKGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1 1084569526 GNZOPUCDFMAXGH-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 1084613216 OMRIQGCLUQAJQZ-UHFFFAOYSA-N 510.619 5.936 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1 1084654638 QAYDGEUQQHFJRW-UHFFFAOYSA-N 625.510 7.709 50 10 KKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 1772743435 AHTPUXVXYRDDMG-UHFFFAOYSA-N 528.008 7.065 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687199 LTKPLVHNTOJYDO-SANMLTNESA-N 508.578 5.384 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865687469 RTPRLDFZZZZJBX-QFIPXVFZSA-N 530.522 5.885 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689744 DPYDVFKABVRFMM-HSZRJFAPSA-N 502.496 5.747 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865693579 KTSCBUKWANWMRG-DEOSSOPVSA-N 566.967 6.740 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1 1865694604 ZVDOEQPZAGYPCD-HSZRJFAPSA-N 507.432 5.984 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1 1865701237 PQBZTVBWHGUWGE-QFIPXVFZSA-N 553.928 5.745 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1865704228 QTUJLAGVCWXJLX-AREMUKBSSA-N 567.860 6.947 50 10 KKGE Cc1nnc([C@@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)o1 1867026801 FEMYXCAXNZQESF-IZZNHLLZSA-N 557.701 5.530 50 10 KKGE COc1cccc(-c2cc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867145483 GXVIHCKPWREOFH-VWLOTQADSA-N 544.658 5.594 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868231340 CZVAJSVOPOFRSA-LJAQVGFWSA-N 505.691 7.804 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752770 RFVJQDQQCONRAM-SDXDJHTJSA-N 519.804 6.607 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)c(C(C)(C)C)c1 1872756483 MABWUYLQXNPZQO-FXBPSFAMSA-N 515.031 6.658 50 10 KKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758148 NFPGPIOTSSSWPD-QUPCICMCSA-N 512.418 6.620 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cccs2)c1Br 2025780745 WWEUJCMRCIHFIS-NSHDSACASA-N 568.748 7.282 50 10 KKGE COc1ccc(OC)c(C=CC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)c1 2042447690 JCROCPZSOULQDU-UHFFFAOYSA-N 512.484 5.346 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cscc2Br)c1Br 2081053942 DRJNMTQXHMGTSW-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(I)sn2)c1Br 2081063457 ZTPUSPUFBQKUEE-GFCCVEGCSA-N 521.443 6.218 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 2125292328 HAKFYWWXAUNYCW-LJQANCHMSA-N 503.775 5.442 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(I)c2)c1Br 2136373033 YDAWVWMZZHTHJP-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@@H]32)c1Br 2206393935 CTGONWPMKONINB-LIUHEQGWSA-N 598.749 5.834 50 10 KKGE FC1(F)CC2(C[C@@H]2[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397606 LERFXASNWLZBLG-BLTYZCFWSA-N 558.280 7.452 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ncsc1Br 2213491001 ZCZJNHQZNFKNJM-QMMMGPOBSA-N 508.830 6.054 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 2218599269 ZRFGOPNJPDFFIZ-SNVBAGLBSA-N 586.738 7.422 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1C 2221835401 IKXLDNVPIAWKRX-SSDOTTSWSA-N 558.380 7.852 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CC1(Br)Br 2234076367 UROOVNUVRUWXEI-SSDOTTSWSA-N 550.314 5.849 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2237456909 AGNNTUSYBPASGW-GFCCVEGCSA-N 501.871 7.506 50 10 KKGE Cc1sc([C@H](Br)c2cc(Cl)ccc2I)c(Br)c1C 2253503786 HAJHLRMSKGELHA-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE COC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC(CF)C1 2255107850 DRFVECRRADLDET-QHCBANEHSA-N 529.889 6.236 50 10 KKGE Clc1cc([C@H](Br)c2cc3sc(Br)cc3s2)ccc1I 2278019637 JIHLSVUVCJATBM-ZDUSSCGKSA-N 548.490 7.468 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)cc(C(C)C)c2)c1Br 2280676124 AXXKZBFVPCMONC-ZDUSSCGKSA-N 501.509 7.796 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283581346 YMIWPHIWQXPHQA-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(I)c(Br)c1 2288059662 HXNRKRCHEYMLON-SNVBAGLBSA-N 517.043 5.325 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296507009 PDZPBACEAPVEKE-SANMLTNESA-N 554.469 6.667 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501606 ZMVMTAYGSJTIJQ-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)c1 2314532832 MXCZEACSMOJGGE-UHFFFAOYSA-N 500.942 5.311 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 2314534160 ZTUIJHQEDJOZPL-UHFFFAOYSA-N 519.388 6.265 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314591884 GUEPOZNSLYTGGP-VWLOTQADSA-N 502.039 6.330 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592173 NEKOXQRFXYZHAJ-VWLOTQADSA-N 551.590 6.478 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(I)ccc2Br)C1 2319222289 BXZNIUBOPPXOCO-GOSISDBHSA-N 589.106 5.735 50 10 KKGE Cc1ccc(C(=CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329587782 CBILWXKLGXSIAK-NDEPHWFRSA-N 511.647 5.742 50 10 KKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OCCC)c(OCCC)c2)cs1 2331293395 FUKGVWDSXGSSKU-UHFFFAOYSA-N 506.624 6.824 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 2331358782 OHRQJMBCVZGJGG-SFHVURJKSA-N 521.598 6.947 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCCc1ccccc1 2331431991 JOWIQUXINPZPBP-UHFFFAOYSA-N 517.448 7.267 50 10 KKGE Cc1c(F)ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2338566193 JUQXCLGCNSRLPD-QMMMGPOBSA-N 556.314 7.621 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C1(CBr)CCSCC1 2349850282 APUVFUWAAPCXTN-UHFFFAOYSA-N 519.084 5.146 50 10 KKGE Cc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 2353074694 SQKQHSOPXPZOHA-JTQLQIEISA-N 528.318 7.979 50 10 KKGE Fc1cc(CBr)c(Oc2c(I)cc(Cl)cc2I)cc1Cl 2362458970 XIAQBYKMARAHCN-UHFFFAOYSA-N 601.806 7.029 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@@H](Br)[C@@]23CCCC32CC2)c1 2364105999 GMUBIYZHGSASAV-FMKPAKJESA-N 512.023 5.919 50 10 KKGE Clc1cc(Cl)c(OCc2ccc(I)c(Br)c2)c(CBr)c1 2377286849 MJFWRJSAPOTLBP-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 2887922 JKRJQWKGTCOHIX-JXMSVWESSA-N 585.513 5.628 50 10 KKGE CCOc1cc(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c(Br)c(Br)c1O 3025212 SZZQZTKMHLNSRK-IZHUBRMMSA-N 593.297 5.299 50 10 KKGE O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)/C(=C/c1cccs1)NC(=O)c1ccccc1 20074938 JIBCVJXEPOJKJG-SJOBBXTASA-N 510.402 6.236 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ncc(Br)cc3Br)n2)cc1 33319525 NKTDVGROIHUULB-LCYFTJDESA-N 506.223 6.105 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 34719955 CEJAYLLQPAFBAA-ABPPERTMSA-N 504.011 5.722 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 38679332 ZLERNRVBESVHSC-GDLZYMKVSA-N 514.578 5.303 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684719 QJTHMOJTKVBTDB-IIMAJNMQSA-N 526.633 6.265 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684722 QJTHMOJTKVBTDB-JRPXNJEYSA-N 526.633 6.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38688197 DWBJGXVQJTTXAY-OAQYLSRUSA-N 503.923 5.900 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1 40813589 JPVBBICRWCYUKB-FEZSWGLMSA-N 509.562 5.641 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100194059 HZLRELRKXYXUEL-UHFFFAOYSA-N 577.328 5.285 50 10 KKGE C=C(C)Cn1c(SCC(=O)N/N=C/C=C/c2ccccc2OC)nnc1-c1ccc(Br)cc1 100315809 WAFVDBSEFGCAQH-GYLHPZGVSA-N 526.460 5.200 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 101303357 XPCXPTWTJLQFAY-OVVQPSECSA-N 504.590 5.639 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)C2=O)cc1 101339945 MLHKEAIOLMVHDW-STBIYBPSSA-N 544.611 5.657 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101366943 XHPZIBNLSFPSCX-SANMLTNESA-N 541.387 5.603 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 101374730 LQDHKLVTLRCDOW-NDEPHWFRSA-N 533.024 6.745 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101374948 GHHIWSDXUUUPFW-QSLVUSCOSA-N 593.507 7.654 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCCC(C)C 101375110 OFBHRMJITNMXQU-YTTGMZPUSA-N 556.659 6.330 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5Cl)ccc43)cc2)cc1 101378585 WZRNZXKQKOWSDZ-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379035 PIEKJPKGEKWJEK-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380628 DBANJWIDJFXHNM-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384711 QDAVIMHNEIRWLA-AREMUKBSSA-N 549.435 7.071 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386158 PNNRRGFKGQFLIV-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1F 101389113 GVJRPKKHYJXWNI-XIFFEERXSA-N 615.057 6.968 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101389560 CZNQYKRIZYIYMW-UUWRZZSWSA-N 586.619 7.394 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccccc1Cl 101391010 WEFWQVXQEWUZGS-FQEVSTJZSA-N 527.816 7.299 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)oc2cc(Br)ccc12 101393981 POPIYPXEOVMSRH-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101397967 FFJITDKVAOADAI-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614605 PECPPWDXCOJYRZ-IURWMYGYSA-N 527.824 5.161 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618987 VSMMUUCXYMTYBC-QNKGDIEWSA-N 569.415 6.137 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 101730181 FMFYLIKAFINULM-HAVVHWLPSA-N 581.134 8.067 50 10 KKGE CC1=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C(=C(C#N)C#N)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl 103538403 WVLPRQIRHHCKFB-UHFFFAOYSA-N 587.832 6.684 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 150441690 XEYAPNLNQIAYGL-IYLMVCPTSA-N 639.148 8.032 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 164625439 IADCQIZVSVEBDE-ODNPBWNPSA-N 724.824 8.816 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205658072 MLLJOHOUUSDGKZ-HZSYBZOTSA-N 552.671 7.190 50 10 KKGE CC[Si](CC)(CC)OC1=C2C(=O)c3ccccc3C(O[Si](CC)(CC)CC)=C2C(=O)c2ccccc21 207528960 MSCRCFJZMXRBFJ-UHFFFAOYSA-N 518.802 8.245 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1)c1ccc(Br)cc1 254315826 CHMJWZYCTCAPFP-UHFFFAOYSA-N 701.165 7.176 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1 254444605 QQBSSAIPPVJGFC-VPOLRVIOSA-N 506.558 5.510 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254479422 WEDSSXITKANXCL-UHFFFAOYSA-N 533.688 7.045 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc(Br)c1O 254874101 HTICVFYBVOHKGR-IKQLHMAASA-N 579.495 5.321 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1Cc2ccccc2N(CCO[Si](C)(C)C(C)(C)C)C1 616671545 KAEBHIGIOQDABL-MHZLTWQESA-N 525.926 8.419 50 10 KKGE Brc1ccc(C[C@H](Br)c2scc(Br)c2Br)cc1 705499444 DIXGRIAFQCFWTQ-VIFPVBQESA-N 503.879 6.714 50 10 KKGE Fc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)cc1Br 721612266 IIGUYKPNTPFSTO-ZDUSSCGKSA-N 522.352 6.423 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 1084039949 CWUPJCQZRZQEAE-UHFFFAOYSA-N 608.514 5.626 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Cl 1084043188 ADGIORMPMSSQRU-CIAFOILYSA-N 586.857 7.085 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC 1084071449 MPEGKWLMBNMHTK-UHFFFAOYSA-N 643.593 5.802 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084072832 XNCVXNWMMKJHLS-UHFFFAOYSA-N 559.644 5.086 50 10 KKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc(Br)c1 1084115083 GWVNUIUTPQUVOC-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 1084129899 YVFQBUIDAVVVSZ-VIZOYTHASA-N 648.111 8.038 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 1084156243 XMCWSDWXTDFPHH-UHFFFAOYSA-N 528.590 5.063 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N 1084434279 XGHXLPPHRVYLNQ-UHFFFAOYSA-N 597.263 6.571 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc3ccccc3nc2Cl)C1 1614693570 RAWJTAZUSMWKGJ-IEBWSBKVSA-N 506.771 5.675 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 1615950054 PKOCCBJWSCZXMV-DQWVPQNASA-N 538.860 5.397 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3ccccc3Cl)cc2)cc1OC 1772720377 MDNLMRQSQGTLFK-UHFFFAOYSA-N 552.027 5.017 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744359 WBWNEGVKPCBSBL-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682574 RTHHQZVDPGRVFY-DEOSSOPVSA-N 549.414 5.846 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687074 IZKDICFHTMXFTB-GDLZYMKVSA-N 557.610 5.749 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865691298 OXEZESREAJKKSN-DEOSSOPVSA-N 571.903 6.783 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865696622 OXMCKMPCWVUNTM-HKBQPEDESA-N 578.713 7.101 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700904 HKDOUHHVETWIIA-GDLZYMKVSA-N 573.524 7.605 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865702315 SGHCLVOAGPZYIM-MRXNPFEDSA-N 562.148 6.377 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703413 VIWZESXQEYYAQW-LJAQVGFWSA-N 504.634 6.216 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703465 WABZZHYIGFXQPE-WJOKGBTCSA-N 554.650 6.962 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703583 BVJGBXNDVULQPJ-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865707142 OYGXSRRAXKLWMV-DEOSSOPVSA-N 549.984 6.789 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709568 CZHDJFUPFDCWAV-RUZDIDTESA-N 571.977 5.158 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711560 BKFOJQWNDGARME-PMERELPUSA-N 540.623 6.404 50 10 KKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866128774 LIYFEWQCLCTPNG-KNTRCKAVSA-N 510.413 5.210 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866772471 NZZQOFDODDNUKD-JSOSNVBQSA-N 581.669 6.212 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867186648 MFYGJJUVINYVRE-HSZRJFAPSA-N 556.667 5.596 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1OC 1868456091 JKLBNWJXALEOHU-ZCYQVOJMSA-N 557.651 6.319 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)n2)cc1 1868528551 UZNRCVCGCDQIIF-MGBGTMOVSA-N 573.697 8.150 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccc(Cl)c(Cl)c4)c3)nc2c1 1872728639 MKZJXLKNAXLRAC-GIJQJNRQSA-N 536.371 6.081 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 1872747214 SIDBCCOXFCTRAJ-JVCXMKTPSA-N 517.610 7.278 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OC)cc1Cl 1872756736 XZOFKXBTHOHRBZ-ZHZULCJRSA-N 502.892 5.555 50 10 KKGE CCC[C@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1878020851 OOGHWIJQKFDLIB-QXEWZRGKSA-N 537.981 8.078 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(I)c(Cl)c2)c1Br 1922886404 KMBXTALYWPDVTB-JTQLQIEISA-N 585.324 7.324 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc(Br)c1Br 1923067586 FMBLQTSPVGTSHJ-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1csc(Br)c1Br 1923070423 AESQGFMNUATKPB-SCSAIBSYSA-N 609.222 7.997 50 10 KKGE Cc1cc(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1 1924596199 KNAOGGAVQZFEFZ-NSHDSACASA-N 531.933 7.445 50 10 KKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924616002 JSAZVZPTHQYOAJ-CAHLUQPWSA-N 545.938 5.296 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC23CC3)c1Br 2025779443 HIJLQTDHBJSVDG-ANLVUFKYSA-N 552.724 6.973 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)s1 2031482591 UTPBYTKTEPWBMC-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Fc1ccc(C(F)(F)F)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2079260646 KFZCYQCZEGLLSQ-UHFFFAOYSA-N 516.980 5.549 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1csc(Br)c1Br 2093948223 WSYMYYZDAJYWPI-NSHDSACASA-N 533.905 6.837 50 10 KKGE Cl[C@H](CC[C@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2141477216 NKFIWUCAQMDHLK-GMSGAONNSA-N 540.315 6.976 50 10 KKGE Cc1nc2c(cc1Br)nc([C@@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2153142429 CGCNLYJOWCTGNZ-LJQANCHMSA-N 539.905 6.273 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1c(I)cc(I)cc1I)C[C@H]2Cl 2173617969 FZVZKXHLSZQRCQ-IRTPTFBHSA-N 628.457 6.065 50 10 KKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 2175011025 SJLRRQUDWXNBAY-OASPWFOLSA-N 585.445 5.649 50 10 KKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2179792134 BRFALJVJLNVFMM-INIZCTEOSA-N 536.355 5.081 50 10 KKGE Brc1sc([C@@H]2CN(C3CC3)C[C@H]2Br)c(Br)c1Br 2216417265 FDWGXIKWHWBZIE-RNFRBKRXSA-N 508.899 5.361 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1Br 2225634217 NLTJZZHXXUDXCS-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE COc1c([C@@H](Br)c2csc(I)c2)cc(Br)c(C)c1C 2269111400 RMWYMTZKOQFKCQ-ZDUSSCGKSA-N 516.036 6.225 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1I 2269550844 IZSNLHUDYVDJRA-CQSZACIVSA-N 607.849 6.151 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc2sc(Br)cc2s1 2278102387 WMHGGTRRYFJCIO-CYBMUJFWSA-N 548.490 7.421 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1Cl 2283564726 ZTNJULRRVIVLOZ-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE CC(C)(C)CCN(CCBr)C(=O)c1cc(I)ccc1Br 2289872516 SLTJEGPUXVTGBA-UHFFFAOYSA-N 517.043 5.327 50 10 KKGE N#CC(=CNc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 2295937290 OXWBIDZHYZBFOB-QFIPXVFZSA-N 503.889 6.399 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2297327697 IJCMRGUUYQPSJT-UHFFFAOYSA-N 512.566 6.838 50 10 KKGE Cc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@H](C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1 2297460339 HUSONRRFIFIIQC-GKVQRAMASA-N 536.440 6.190 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518725 PUTVFTYZAIWQIN-UHFFFAOYSA-N 621.302 7.738 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 2313521408 LZAXCSHRZIGCAG-UHFFFAOYSA-N 558.803 5.756 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521490 RTNSWARPDATKFL-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1C#N 2313556212 RGBHEBOWPCYAIF-UHFFFAOYSA-N 555.432 5.656 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1 2313631132 LDEAABFZMTWPBV-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@H](CC)C2 2314571811 MKJQBRHKJBDCCP-KRWDZBQOSA-N 560.075 7.447 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643448 YMLYGVXZUUIZRW-WJOKGBTCSA-N 518.544 6.242 50 10 KKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 2314777845 XTMXOPGNOYBADM-UHFFFAOYSA-N 518.635 5.766 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nc(O)c2cc1OC 2331044529 YOAJEWNYALKYEC-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300401 AYDREGZTPWCBGW-XMMPIXPASA-N 511.990 6.164 50 10 KKGE Cc1c([C@H](Br)c2c(Br)sc(Br)c2Br)ccc(Cl)c1Cl 2339054375 SMKHFBZGNGGQNC-QMMMGPOBSA-N 572.769 8.135 50 10 KKGE Fc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362253527 JIEOTSMYCNEGEU-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2365228909 URKZKMHLDVLPTN-LLVKDONJSA-N 523.899 7.334 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2368197502 HUWYLGAYVMEVKU-LJQANCHMSA-N 510.267 5.088 50 10 KKGE N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)c(F)c3)cc2)cc1 3187663 PCHIJMIJTVZSMF-RNIAWFEPSA-N 566.514 7.001 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38650833 QEJBIKYQVMBRMP-GDLZYMKVSA-N 512.606 6.338 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38685184 YKKMLCHDIUOISW-MUUNZHRXSA-N 518.997 6.030 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)c1 40530004 NFGCWSJABBDDCA-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812905 MQGLTOFXAQMMOO-JBASAIQMSA-N 516.395 6.226 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 48572043 YUJNXIQOPAMZQR-BIZUNTBRSA-N 506.993 6.536 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 58894013 ABVSQABSOLTDGX-SGKMTROSSA-N 512.606 5.790 50 10 KKGE CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 59680340 HYODSDZTSANJMC-XBQJKBNESA-N 528.700 7.967 50 10 KKGE C[C@@]12[C@@H](Cl)CC(=O)N[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@H]12 77285653 MKZGQDFQXQLWNU-FVBCXWRKSA-N 564.998 7.017 50 10 KKGE in-vitro COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(OC(C)C)c(OC)c2)cc1 97914901 PBRJQPKDQPKEQX-NDEPHWFRSA-N 531.093 5.639 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 98063446 AYDIBFRIYBPXIF-ODLFYWEKSA-N 501.905 5.845 50 10 KKGE CC(C)CCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100147992 UGNRYMPDNSTPMM-UHFFFAOYSA-N 564.274 5.630 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 100232889 PIYDWQXRFVOOGZ-MTJSOVHGSA-N 525.830 6.304 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 100236184 WJMCAABPHWXUHO-XSKYCKKESA-N 590.858 5.952 50 10 KKGE O=C(N/N=C\c1ccc(OC(=O)c2ccccc2C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 100958601 YXLPVVWGIXANMY-PXDBBHOGSA-N 610.626 5.653 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243716 BUZOWZGJDPORHG-IDCMLALUSA-N 586.035 6.671 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245113 CNZNJPJHRCXSMJ-OKRIBVEGSA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101338569 DIVOQIDHGBSQTP-AJBULDERSA-N 568.677 6.962 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2=O)cc1 101340126 CNTJBHUOFBZKBT-RUMWWMSVSA-N 564.645 6.536 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374096 ZBNMUEIEIMUGPH-YTTGMZPUSA-N 556.659 6.590 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379212 HWKNTEAFBLXRRU-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383191 IGZYEKZJLOYLFZ-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1Cl 101385969 XIMUCJVNXLDUMN-LJAQVGFWSA-N 583.984 6.273 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386381 KABGTHIEJYLNPT-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101386548 LXSGCDKJDWGERT-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)oc2ccc(Br)cc12 101390066 LKUMRGHVONEEJX-SANMLTNESA-N 543.417 7.065 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)oc2cc(Br)ccc12 101396474 FCLMEZJYFWQTFU-MUUNZHRXSA-N 587.470 7.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101397976 RMAZQERYRLLKSY-PMERELPUSA-N 611.437 7.116 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618890 AIOJBFLLQHUKHC-KJFHWCLQSA-N 540.579 6.365 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1cccc(Br)c1 101735350 INDMNSURUHXUIN-MIQLPHMESA-N 539.382 5.037 50 10 KKGE C/C(=N\NC(=O)CN(c1ccc2c3c(cccc13)CC2)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 103748730 COCWYEMIWBSROQ-HNSNBQBZSA-N 575.090 5.151 50 10 KKGE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Cc1cccc(Sc2ccc3c4c(cccc24)C(=O)OC3=O)c1 104106769 HNFAGWONBVZBCK-GKPLWNPISA-N 540.000 6.319 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C(C)C)cc1Br 105470545 PKEORLRLZQXGBN-UHFFFAOYSA-N 580.523 6.271 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)sc1Br 126039741 KOXSSHHDVLMDMP-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442156 YLSJTUNCPYFGBN-UMSFTDKQSA-N 635.116 8.372 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 150455191 XDSFYSVXCXMUTG-VUMGZPTDSA-N 660.708 5.219 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 150462893 ALULGSLHDFFBOY-MFSCNYOVSA-N 646.769 5.943 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214271800 IQZLMNXDHGQLAW-QRQIAZFYSA-N 522.649 6.275 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214348057 CYDFIUCDLQTSCN-VQNDASPWSA-N 608.673 7.092 50 10 KKGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1 254302811 OZKLUQOFQLAQCL-RNPORBBMSA-N 594.628 5.155 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc(F)c2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254410186 FSSHPONWLIYYDE-HYMXWBNZSA-N 513.550 5.028 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 254752948 RWJKUBPHBUGGFC-UHFFFAOYSA-N 519.451 5.423 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254855086 DTWBPLPTQYRFDJ-JVKRNHJYSA-N 665.772 6.474 50 10 KKGE CCOC(=O)c1sc(NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(C(=O)OCC)c1C 256017496 PJSJWCGSIUFZNL-UHFFFAOYSA-N 574.055 5.807 50 10 KKGE Br[C@H]1C=C[C@@H](Br)[C@@H](Br)C=C[C@@H](Br)[C@H](Br)C=C[C@@H]1Br 267326240 HVIIZEINTLSKNX-FIYRRUHQSA-N 635.652 6.250 50 10 KKGE Brc1cccc2c([C@@H](Br)c3sccc3I)csc12 311105755 TUVZZIBTEZPEBU-LLVKDONJSA-N 514.045 6.814 50 10 KKGE Cl[C@@H](c1cc(I)cc2c1OCC2)c1sccc1I 386316372 KELJQDVAHRHZRH-NSHDSACASA-N 502.542 5.220 50 10 KKGE C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 604934391 YGXDKYAIMAMUAT-ABYJIETESA-N 920.311 7.460 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C 616585490 KEEBYCOQGORZDK-VOHIZFTDSA-N 697.909 6.543 50 10 KKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 701598142 WTTLUKWIPCAQMG-NSHDSACASA-N 515.027 5.079 50 10 KKGE Cc1sc([C@@H](Br)c2scc(Br)c2Br)c(C)c1Br 724939931 CSZRNGKSOBFSRH-SECBINFHSA-N 523.935 7.198 50 10 KKGE COC(=O)c1ccc(CNC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237446 HTSIKULDTPVZRD-OAQYLSRUSA-N 524.948 5.183 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1 1083921957 LUOMYDFRDHOWMG-UHFFFAOYSA-N 572.253 6.699 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083947603 QXZMMZOLOVOPSB-UHFFFAOYSA-N 556.354 5.333 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2I)cc1 1084020886 LPCUHHZQBYJKCB-QHCPKHFHSA-N 528.390 5.143 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084560715 JVDBLJAQGGICOC-UHFFFAOYSA-N 543.667 6.770 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1cccc(Cl)c1Cl 1084595962 APXRHMWPSIDFNW-UHFFFAOYSA-N 569.308 5.140 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747201 LXPUSVQNIHGLOH-UHFFFAOYSA-N 527.824 5.792 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749433 LGMCNCZOLPKSHC-UHFFFAOYSA-N 577.468 6.614 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCC(C)C 1772755100 MZOOOAAJYJDZAR-UHFFFAOYSA-N 548.528 6.249 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 1772756212 ONMSLGVNHMIGPD-SFHVURJKSA-N 545.861 6.225 50 10 KKGE O=C1CCc2ccc(OCCCCOc3ccc4c(c3)N(CCCCBr)C(=O)CC4)cc2N1 1848440698 YTHMNKNADOWQJR-UHFFFAOYSA-N 515.448 5.264 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686518 XDGRQEQNIXFZTM-QFIPXVFZSA-N 521.379 6.271 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865687568 VDXUADMKXNLQKX-PMERELPUSA-N 514.585 6.140 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688613 WOWVEOUGIPXTKD-LJAQVGFWSA-N 555.078 6.386 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Br)c1O 1865688719 ZAMJEEOIQDERCX-QHCPKHFHSA-N 543.421 5.683 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865690251 MQQBZXDXCYZNNW-SANMLTNESA-N 511.025 6.980 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865695353 BUDIGGIGFYCPTA-VWLOTQADSA-N 551.485 6.383 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701238 PQMOOSUQWROWRZ-DEOSSOPVSA-N 517.416 6.674 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865702934 IQNIBYVXWOVGSY-AREMUKBSSA-N 511.025 6.657 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703306 SUGQHFMTHBFWEN-PMERELPUSA-N 575.068 7.307 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707996 LMKIUKCXJSMQGW-RUZDIDTESA-N 528.996 5.496 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866652939 RLJLZVLZJFDPKS-MHZLTWQESA-N 556.713 6.131 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)n2)cc1 1868320635 MUHJSVSEDWCORV-VWLOTQADSA-N 507.667 6.712 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1cc(Br)cc(Br)c1 1900371531 ASYLCUICAFGSCY-INIZCTEOSA-N 516.068 5.407 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914341875 PUNRAAFPULMXSJ-LLVKDONJSA-N 516.082 5.730 50 10 KKGE CS(=O)(=O)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924600607 FJGAVYGYBJBRSV-SNVBAGLBSA-N 523.493 5.767 50 10 KKGE C[C@@H]1C[C@@]1(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779594 JODZBPRQRJAPPS-ZSCXHOBISA-N 510.289 7.063 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 2050317387 CWJCOAHTUKIHDL-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)CC(F)(F)F 2059388319 MFYMXGKNVQVVQN-UHFFFAOYSA-N 501.162 5.097 50 10 KKGE C[C@@H]1CCO[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469278 UJEJMMDPDDAXMS-WHFVKQHSSA-N 540.315 6.832 50 10 KKGE CCCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 2175003623 FBSXYGBKNQNEIJ-OASPWFOLSA-N 540.994 5.493 50 10 KKGE CC1(C)CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CBr 2185818367 YPTCVJXJOIDDRG-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE C[C@H](c1cc(Br)cs1)N(C)c1c(CBr)ccc(Br)c1Cl 2186575946 KGRIGTLAVIDBJK-MRVPVSSYSA-N 502.497 7.019 50 10 KKGE CC(C)(C)[C@@H]1C[C@H](CBr)CN(c2ncc(I)cc2Br)C1 2189902673 YFEGTVLWPYZTIC-GHMZBOCLSA-N 516.059 5.332 50 10 KKGE CCc1nc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2201063806 GEQAIZIROYMWQY-GFCCVEGCSA-N 502.497 6.938 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC(C3CCC3)C2)c1Br 2206397530 KEPIUIUWVWEIIR-KJHLLKJSSA-N 594.805 7.999 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@]23CCCOC3)c1Br 2206400766 DXNOCTJSDHBMHL-NRBYFXAUSA-N 596.777 6.989 50 10 KKGE COC[C@H](C)OC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2222471714 MITJUQRBZNSLRF-BQBZGAKWSA-N 529.914 5.393 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(I)ccc1Br 2225616122 MZAXCXYXPSREIN-CYBMUJFWSA-N 627.709 7.202 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238080642 ABSLYGBZHIIENH-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE COC[C@]1(C)C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2269314301 SJTDBNDQODKFNW-MYWNEDRFSA-N 540.315 6.689 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 2295187774 MUXQFAOGOQKUAY-UHFFFAOYSA-N 512.746 7.619 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2295420268 BJCMYUDQJKUXQV-LLVKDONJSA-N 505.453 6.428 50 10 KKGE C[C@@H]1CC(=Cc2ccccc2Br)C2=C(C1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504924 WSRKTDJYRJVWBN-JLCFBVMHSA-N 512.245 6.787 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 2313518744 QRHHFOOBTWDFRV-UHFFFAOYSA-N 542.227 6.345 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 2313571343 TWUPTUWAUTWDLK-UHFFFAOYSA-N 550.873 8.179 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 2314533662 SSJZACFXMZRFHM-UHFFFAOYSA-N 518.495 5.977 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314617268 UZXLHWQYWMZPEA-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618214 JLBRGCKUBNFURO-XMMPIXPASA-N 558.707 7.395 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(Cl)c3)C(C)=C(C#N)C2=O)cc1 2314619572 BQNALTMAPMSECB-UHFFFAOYSA-N 579.056 6.045 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 2314646854 RKKHEMVLNFTAFX-YTTGMZPUSA-N 696.785 6.044 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OCCC 2331293321 WSBXQRIHIICFAM-QGZVFWFLSA-N 517.607 5.865 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1F 2331336889 HDAMJOKVQIPAPS-UHFFFAOYSA-N 521.364 5.696 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 2331345463 MUPOEWFUZVBSEA-JOCHJYFZSA-N 504.696 8.543 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 2331449233 CEHVRVMRVYPBSW-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE CS(=O)(=O)c1sccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336078164 OMVXKYLZPAWXFW-SFHVURJKSA-N 516.276 5.977 50 10 KKGE Cc1c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)nn(C)c1Br 2362232909 TUVYGROWCQVJPC-VIFPVBQESA-N 509.826 6.137 50 10 KKGE COc1cc(F)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364071602 ROUONOAEXQJKES-VIFPVBQESA-N 535.831 5.340 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1Br 2365178562 KJDREGUUGFVSAI-NSHDSACASA-N 529.867 7.100 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1889044 XFAUZDZIFRJDTQ-QBHDBVHESA-N 516.381 5.468 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2c(Br)cc(Br)c(O)c2Br)cc1 8448737 TXOSJKFQNZKNMJ-IJSQZOFLSA-N 573.123 6.231 50 10 KKGE CCOc1ccc(N/C(SCC(=O)N[C@H](C)c2ccccc2)=C(\C#N)C(=O)Nc2ccccc2C)cc1 12311859 YGPKDALKECZGDE-ZKLRHWBXSA-N 514.651 5.790 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 35447441 ZNHAWZNXNMAWGV-QJOMJCCJSA-N 511.025 7.226 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OC 38659014 VDRHKIMUWPEYLW-AREMUKBSSA-N 500.551 5.320 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684828 NRTRFVNTINJTHM-DFXYEROKSA-N 526.633 6.409 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(F)cc5)ccc43)c2)cc1 38686640 AEWVQUFZMUFGAD-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc(C)c1Cl 40813637 PTEZIBPCKQJBNV-UQRQXUALSA-N 500.982 6.701 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 40911094 SBPCCHXMQSYPQU-FDAWAROLSA-N 500.982 6.124 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Br)cc1 59224545 DECRIVKWGFBIFO-PDGQHHTCSA-N 508.328 5.491 50 10 KKGE ClCCc1nc2cc(I)ccc2n1-c1ccc(I)cc1 97353805 CUSYOJAJNARFCQ-UHFFFAOYSA-N 508.528 5.016 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(Cl)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 97978596 JPFKFYGUGINXTE-MAZCIEHSSA-N 635.414 12.307 50 10 KKGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1I 100065086 XYNXAIXHTMRCHF-UHFFFAOYSA-N 555.416 5.224 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 100208670 YMYLNIKICNZVCD-UHFFFAOYSA-N 542.268 5.210 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 100335688 PALINBPIKBBPSQ-FRKPEAEDSA-N 613.666 7.385 50 10 KKGE O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12 100398471 IBZVVLBCEMVAKP-WKULSOCRSA-N 586.895 5.263 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101334313 PEEIQFSLLXEYFL-ZOCNZVAZSA-N 542.639 6.509 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(Br)cc1 101363922 BLFUHXAHCATBTE-NDEPHWFRSA-N 537.413 6.405 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369210 VBXUADWTBHCTIL-HHHXNRCGSA-N 539.385 6.679 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 101374022 RHFNFZPZGAPCPI-MGBGTMOVSA-N 548.639 6.784 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383439 RZOSGOXDBMZWRE-YTTGMZPUSA-N 567.041 6.684 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc(OC)c1OC 101383732 JDUXXVVFCIYYRK-PMERELPUSA-N 582.584 5.868 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101387929 SNKVAPFDMFGXDU-HKBQPEDESA-N 550.586 6.549 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101388019 PRGRMCJCHKWKIG-XIFFEERXSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388662 PUBQJZWFWYOLAT-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389545 IDLDGCPWRGTSDA-WEZXKFLESA-N 598.602 6.534 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1Cl 101390539 FALFGVVPSSMEEM-XMMPIXPASA-N 525.388 6.228 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1 101392886 LKSWETLXPBMMQA-GDLZYMKVSA-N 595.076 7.580 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc(OC)c1OC 101393495 WDVYFXWDWKGHST-VWLOTQADSA-N 591.414 5.967 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCCC(C)C 101395849 VAMJZGALZDHZMX-JGCGQSQUSA-N 580.681 7.619 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101397752 MNRNAVXRISWJIJ-IHLOFXLRSA-N 550.542 5.368 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101398634 DFSKVHNMBAHEIY-KYJUHHDHSA-N 550.542 5.368 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2)cc1 101520792 MDEMGBITUAJHKT-XHPQRKPJSA-N 537.641 6.229 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 101712941 CNAHMCNKSQUEQP-XKZIYDEJSA-N 533.369 5.850 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc(Br)c1OCc1ccccc1 101713686 REGXNKXEXJJWAS-FDAWAROLSA-N 545.433 6.233 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1 103806456 LVCFXQCVRJPDEO-HNSNBQBZSA-N 603.685 7.525 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F 103877306 GXDRZUTVKWMPJL-VFLNYLIXSA-N 590.243 6.839 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104098941 JAYWBCJGFPFNBH-UKOZYYBESA-N 532.553 5.855 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1 105061896 FOALFYQSHPRGSW-ZQJBKMTNSA-N 575.448 6.964 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566513 CGPZXAABRZVHSV-JVCXMKTPSA-N 553.556 6.238 50 10 KKGE Clc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)c(Cl)c1 118878473 GNCRKGZCRGNDHV-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE Cc1ccc2c(c1)C(C)(C)C[C@@]1(CC(C)(C)c3cc(C)cc(P(c4ccccc4)c4ccccc4)c3O1)O2 146052808 HRGYKNRBOULHOF-PGUFJCEWSA-N 520.653 7.578 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc(Br)c(O)c(Br)c1 150383240 RQBXRWZLSOAALS-FABQOPTDSA-N 694.221 8.568 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 150386517 DMXPKHGQUDHEGW-DJSXUCMQSA-N 676.210 5.021 50 10 KKGE biogenic Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 150422415 MKMSRHATUPKJMX-UHFFFAOYSA-N 828.191 5.837 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCCC(C)C 150422776 AVADATVFJDDYMD-SSEXGKCCSA-N 631.523 7.765 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 150497978 RJLIPVDWKDAEOA-BIZUNTBRSA-N 629.091 7.703 50 10 KKGE ClCc1csc(CCCCOc2c(I)cc(I)cc2I)n1 156070714 GWNLLXKGRAPDBC-UHFFFAOYSA-N 659.496 6.097 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 164622717 HPEYXDBAWVTITA-XZYGTATASA-N 688.376 8.229 50 10 KKGE BrCC1(COc2c(I)cc(I)cc2I)CCCCC1 166073154 ZKMZTBSZHDTKMQ-UHFFFAOYSA-N 660.897 6.225 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2)cc1 210607274 KTRHIDXROZVHPX-GCQWMNBOSA-N 514.606 7.655 50 10 KKGE C=C1/C(=C\C[C@@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212164563 IEBYGWUFYYXFGX-ROQJGIHDSA-N 647.190 11.844 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 214376238 TXXCBYQWEDXWHN-YUMHPJSZSA-N 502.549 5.779 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 231167940 YQFZNYCPHIXROS-CNGJSQOISA-N 919.761 9.476 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 231224018 PPFHNIVPOLWPCF-FDKIHUSFSA-N 541.071 6.075 50 10 KKGE Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1oc2nc(-c3cccs3)cc(-c3ccco3)c2c1N 254381397 QUTXMTGREMJUIA-UHFFFAOYSA-N 508.563 5.657 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1OCc1ccccc1 254387418 YGMFWADNGXKVQW-UHFFFAOYSA-N 586.764 6.814 50 10 KKGE O=C(NN=CCCC1CCCCC1)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN=CCCC3CCCCC3)cc2)cc1 254671018 QQOSHFXBYTVNPT-LQFQNGICSA-N 632.802 6.996 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C/C(Br)=C\c3ccccc3)cc2)cc1 254734279 AZCUMIYRMTVHGH-BEKIUASKSA-N 528.428 5.038 50 10 KKGE COc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OCc3ccccc3[N+](=O)[O-])c2)cc1 263631790 VOVAHWYPGDKOFU-UHFFFAOYSA-N 524.533 5.199 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306147089 STDWDYDOHOANPV-CHTNEXDGSA-N 950.167 7.570 50 10 KKGE Fc1cccc(CCl)c1Oc1c(I)cc(Cl)cc1I 382138272 ZVAXKRYEXNYBNB-UHFFFAOYSA-N 522.910 6.219 50 10 KKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(Br)c1 382698504 ZEGRTRJPQCNCPN-WMZOPIPTSA-N 514.201 5.545 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)c1 616681325 YNFCUPBSYVMFAD-NDEPHWFRSA-N 507.772 6.587 50 10 KKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696714229 SENGBIAMVKLQFS-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 888085502 HVVYOEMGULNWTH-MPQMMRQUSA-N 568.918 8.346 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2cc(-c3c(P(c4ccc(C)cc4)c4ccc(C)cc4)ccc4c3=C[CH-][CH-]C=4)c3ccccc3c2)cc1 1083091119 VWQFPPRZNPRYHP-UHFFFAOYSA-N 678.796 8.240 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083803579 FQWUSGHMQPXVGW-SGSDMKBCSA-N 890.093 8.077 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 1083888129 OMJDHBFNCZZXFR-UHFFFAOYSA-N 565.493 5.446 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSCc3ccccc3Br)o2)cc1 1083927918 RIZUZKSTSCDFSR-UHFFFAOYSA-N 501.402 5.269 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1c2ccccc2cc2ccccc12 1084002694 WHDLSJYRGBHDCY-UHFFFAOYSA-N 562.261 7.200 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1cccc(C)c1 1084226178 UGQVNFSAHOADPT-UHFFFAOYSA-N 532.438 6.290 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)Cc2ccccc2)cc1 1084335848 DDAUEYFIOJKUSM-UHFFFAOYSA-N 585.730 5.011 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084347813 NRWNBILVVWBPLH-UHFFFAOYSA-N 556.460 6.390 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12 1084533650 LVXNGYQXCXYTDL-BUVRLJJBSA-N 588.445 7.276 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1O 1084549476 RDWMNUDDSPLBBU-UHFFFAOYSA-N 545.624 6.225 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F 1084627509 XDBDWWLEDHLMNJ-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743696 JHVOVIAMRZMHKH-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746846 APOVFYHYMCQEMQ-UHFFFAOYSA-N 510.934 5.189 50 10 KKGE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 1848437267 ZIXYSUPSPWROPS-WGHLXBFSSA-N 522.799 5.254 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685308 HXYHWDJAFJFNCC-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865691626 WYODXQMDEAFBNK-GDLZYMKVSA-N 550.659 6.734 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700922 HSOSJMGZFSGUBI-MUUNZHRXSA-N 541.051 6.261 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703380 UXKIJUDYKFGSLY-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705610 ZZUCNAFOMCFZIE-JOCHJYFZSA-N 516.479 5.637 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865706673 CFHIFKIFOOTMMW-XMMPIXPASA-N 569.584 5.064 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215166 FUPOPDAMUXBPFP-XMHGGMMESA-N 555.450 5.925 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866664048 OFHIMBGSTVBKNW-AREMUKBSSA-N 577.131 6.476 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)COc3ccc(OC)cc3C(C)(C)C)n2)c1 1872754950 QXAZDSHZKBVQLA-FLFQWRMESA-N 508.640 6.785 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 1872790044 GUCBJFDYTYUKKH-FYJGNVAPSA-N 510.059 6.564 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 1872792638 JLKXWSQDOITYCP-CIAFOILYSA-N 521.469 8.386 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1OCCC 1872818314 WSBXQRIHIICFAM-YEUWRSSNSA-N 517.607 5.865 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915073597 HOMTYVKSYINPJN-GFCCVEGCSA-N 501.693 5.528 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924579365 DLSKNGYYFQORCD-VIFPVBQESA-N 503.879 6.828 50 10 KKGE C[C@@H](C1CCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492617 OQSUGFJTYFMGSD-DAZKTRTLSA-N 524.316 7.453 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCCC[C@@H]1C2 2141468885 OVZGJTGBWRLQIV-HGDANNRKSA-N 536.327 7.597 50 10 KKGE Cl[C@@H](C[C@@H]1C[C@H]2C[C@H]2C1)c1c(Br)c(Br)cc(Br)c1Br 2141469314 UOZOABLSVJKWKH-PJFCORBGSA-N 536.327 7.453 50 10 KKGE Clc1cc(Br)cc(Cl)c1Oc1c(CBr)ccc(Br)c1Cl 2203009742 VBXKINAKTRPEDG-UHFFFAOYSA-N 524.261 7.859 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCOCC2 2206393880 BZMFWIUOELLNTG-FUXBKTLASA-N 552.326 6.833 50 10 KKGE Fc1cc(F)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398543 WEPFSVSKXMIPRA-LLVKDONJSA-N 598.699 7.499 50 10 KKGE O=C(Nc1ccc(OC[C@H]2C[C@@H]2Br)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2243589675 SKBPGJRTNCQGJL-CMJOXMDJSA-N 508.368 5.908 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(Br)cc1Br 2255964601 QZVFMEKLEOTYMW-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2)cc1I 2256366594 KFUUKDOCZIFCCW-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csnc1Br 2260066279 VQWXEUKRSFIYTA-SSDOTTSWSA-N 526.820 6.193 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2268278524 HMIUOTOPZAJGNN-CQSZACIVSA-N 579.295 7.262 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2279041622 LHLZYRKOYJDEHK-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288350290 YIYNSSOVPAAWQH-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE COC(=O)c1cccc(Cn2cc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1 2295672257 GZIPGWGTQBNCJO-UHFFFAOYSA-N 503.480 6.041 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1csc(Br)c1Br 2299536337 YQPRMGQGCXHONQ-MRXNPFEDSA-N 595.976 8.099 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313571347 TYKQDVLRKWWBDK-UHFFFAOYSA-N 515.227 7.849 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1 2313571407 VQMXGVFMMHPEQF-UHFFFAOYSA-N 517.412 7.670 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Br)cc1 2313630971 XPTBSLUHGKEOMF-UHFFFAOYSA-N 548.462 6.394 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591736 COEYAGJYUFUHJH-VWLOTQADSA-N 552.483 6.629 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592306 QKCGFPRFSYCBLX-SSEXGKCCSA-N 537.729 7.526 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593904 VWCAHIHIPGBMQK-AFMDSPMNSA-N 560.517 6.315 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 2314751167 UHPPMOMMPVOIBU-IBGZPJMESA-N 538.556 5.204 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCC)c(OC)c1 2314754084 KGLAEZVFHWMWIO-UHFFFAOYSA-N 504.608 6.107 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331340079 QXIBMSWINRTXIM-XMMPIXPASA-N 511.628 6.174 50 10 KKGE CCCCCC=CCC=CCCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCCC=CCC=CCCCCC 2333326698 YLHLZFURFIUYDZ-PSXMRANNSA-N 635.414 11.288 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089695 CHTGYRAZWNMQJI-MRVPVSSYSA-N 557.302 7.016 50 10 KKGE Cc1c([C@@H](Br)c2sc(Br)c(C)c2Br)ccc(Cl)c1Cl 2339133018 XTIJEPWAAHBWOT-SNVBAGLBSA-N 507.900 7.681 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cscc2OCc2ccccc2)c1Br 2339655604 FXVFKOUGNFIPRC-GOSISDBHSA-N 561.133 7.653 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2339660118 ZQPCSWVKNGPTHB-JTQLQIEISA-N 511.863 7.465 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1I 2362225137 ROQVLOGRLVNZGH-CYBMUJFWSA-N 552.834 7.245 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Br)cc(F)c(F)c1F 2364225681 APCINXUEYIRFIW-ZCFIWIBFSA-N 541.785 5.609 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2380936992 JYCBSHNEHYCUBA-CQSZACIVSA-N 545.960 7.952 50 10 KKGE Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 3112709 WOKGXAHUWKDHGN-XIOXGIFKSA-N 562.091 5.267 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CCCC2 14150886 LCGBYXWFOHGJKG-DTQAZKPQSA-N 505.552 5.826 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 38683801 OCDCACAMUQJNPJ-MUUNZHRXSA-N 518.541 5.216 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCCC(C)C 38684350 PKNJFIAFQUSOQH-MUUNZHRXSA-N 516.569 6.087 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684632 FUZSVAATFJBJLR-NDEPHWFRSA-N 518.997 5.967 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 38686885 DJJYJXOPQCKDAG-PMERELPUSA-N 506.533 5.771 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 39858869 RPAZGLROYVYWRX-UYRXBGFRSA-N 518.495 5.977 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 59304496 SPGCLRSFULXPRL-FADJLKOXSA-N 510.597 6.667 50 10 KKGE CCCC[C@@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@H](OC)c2cc(O)c1c(O)c2 86049588 FYBKUFIZQMYJHP-PFXLMGSOSA-N 653.728 10.481 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccccc2F)cc1OC 97914850 OSJXROVOALGNAK-AREMUKBSSA-N 505.030 5.033 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232676 LCCWOLWYNHIHBU-RQZCQDPDSA-N 580.693 7.933 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OC)cc1OC 100869786 YVJHJALMCZYJAQ-QXUDOOCXSA-N 561.594 5.911 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243981 APHDCEZYZNWDHD-XDLWYRPISA-N 566.510 6.696 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246536 OQRNGBMPPZUOIV-HVCOVSINSA-N 532.065 6.537 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101246553 NXRGXDOHXGFVIJ-UHUREDQFSA-N 566.510 7.190 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101303348 BOCGTQOFEQIPGZ-MOEMHDQYSA-N 540.623 6.458 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 101332984 XXYIYJXNSDMHIZ-HZHRSRAPSA-N 525.565 5.239 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101337089 XGNWTHUSTNGEHP-HQUMBPMSSA-N 605.094 6.543 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 101387431 ULJZLAPHIBWLEA-PMERELPUSA-N 603.458 7.027 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387939 XDBAKLXEDUBPDM-DHUJRADRSA-N 590.676 6.738 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389407 BHTFTLQHHPVKNR-DVKDTXSKSA-N 562.597 6.640 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390123 CWSITFUHXIGYON-QHCPKHFHSA-N 549.479 7.943 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599508 XFMNKJYODAOANM-OVVQPSECSA-N 545.231 5.836 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1Br 101733127 FMUQVKKSIYZPQE-LICLKQGHSA-N 604.251 5.411 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 101766845 XAASQKLBPRPIII-CVKSISIWSA-N 540.296 6.217 50 10 KKGE N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccccc3)cc2)cc1 102930708 VWUCFRHXPPHNHI-KDXNZWMXSA-N 537.579 6.030 50 10 KKGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 103797285 PCZBJLYJCIZSDY-FDAWAROLSA-N 607.448 5.763 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 103878915 OZTQMAYMCUQIDU-FMFFXOCNSA-N 547.615 6.541 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Br)cc1 103880267 RBVOOHPLDTXVKS-OCSSWDANSA-N 533.422 6.665 50 10 KKGE COc1ccc(Br)cc1/C=N/NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 103905000 UXTXBPOFVQRXAY-HHZNUBPLSA-N 518.820 5.094 50 10 KKGE BrCC(CBr)(Cc1ccccc1Br)c1ccccc1Br 118879021 ZHWRBBHDPGWWJP-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150402348 YNGHWILXGVZJSA-ASYBXRLASA-N 634.783 5.958 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150406013 IPEVIBSZDAJZFN-UHFFFAOYSA-N 663.160 6.400 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1Br 150422102 FFEIZUJICNRMEA-UHFFFAOYSA-N 652.203 5.176 50 10 KKGE CCCCCCCCCCCCC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](N)CO[P@@](=O)(O)OCC[N+](C)(C)C 210109253 VHUANLHPOICHQL-JUACEJSKSA-O 579.900 7.801 50 10 KKGE CCCCCCCCCCCCCCCCN(c1ccc(C(=O)O[Si](C)(C)C)cc1)[Si](C)(C)C 230862511 UJJIHVDIUJDUAD-UHFFFAOYSA-N 505.936 9.801 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cc(Br)sc1Br 234830091 OSDLMQKZKZBGNL-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE COc1ccc(OC)c([C@H](Br)c2cc(I)ccc2Br)c1 234980050 IRKVYMXMHMKLNS-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE CC(C)Oc1ccc(C(=O)N[C@H](Cc2ccc(C(=O)CCl)cc2)CN2C(=O)c3ccccc3C2=O)cc1Cl 504082889 SXCFTBTXHZXEIN-OAQYLSRUSA-N 553.442 5.186 50 10 KKGE C[C@H](Cl)c1nc2ccc(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705610860 QDFACHZSUCMPOD-FQEVSTJZSA-N 524.890 6.570 50 10 KKGE Fc1ccc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1Br 705617508 MUUMTDLVEAPQPC-UHFFFAOYSA-N 528.853 6.148 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 725414698 IEXANRUHQVMHQU-MHZLTWQESA-N 517.025 6.435 50 10 KKGE Cc1ccsc1C=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1084029993 AYHPCWLAJVSXHR-UHFFFAOYSA-N 515.966 5.074 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1084119186 JRYBAXYUJGARIU-UHFFFAOYSA-N 544.677 5.147 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1084150579 PFDKRFZDNJTVNG-VWLOTQADSA-N 556.015 5.589 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 1084340397 SNNZIJFZXCAAMO-QHCPKHFHSA-N 576.406 5.372 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1 1084359174 NVIBDRFSGAYHFB-UHFFFAOYSA-N 553.732 7.368 50 10 KKGE COc1cc(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OC 1084376564 JAIQNIMPYHTXCF-UHFFFAOYSA-N 565.411 5.838 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1 1084438803 GPUHTPUDDQNXHO-UHFFFAOYSA-N 628.954 8.220 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)c(I)c1 1084491007 KRRLFPNJRYWRLM-SANMLTNESA-N 564.423 5.987 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084505915 BUIRNUCKFSQEGZ-UHFFFAOYSA-N 593.190 6.282 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084551044 OHLCKNRROGLCED-UHFFFAOYSA-N 644.537 5.972 50 10 KKGE CC(=O)O[C@@H]1[C@H](O)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1531862447 AKQMIBOCIKDUBX-XVEIJSAGSA-N 558.788 5.998 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Br)CC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537082 UKWGOBGGUGJZAH-YQXQAQIOSA-N 551.719 10.118 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614613646 FVNGPHGJSKRUCD-YJBOKZPZSA-N 510.272 6.471 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653287 NLNKBJGXFOIJJU-MQQZMVSWSA-N 552.483 6.306 50 10 KKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749862 QKHHFOSSONRILU-UHFFFAOYSA-N 504.345 5.522 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCCc1ccccc1 1865688634 XORXHOLYKSJQOS-HHHXNRCGSA-N 557.448 5.792 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688956 GEROZHQJOVQEQV-NRFANRHFSA-N 549.812 5.888 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865690930 FHDZMENOZDBBGW-DEOSSOPVSA-N 527.452 6.206 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865692713 OWZLCFUIJCYURQ-DEOSSOPVSA-N 555.448 5.937 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865693774 YTJPHRJLIRKCMQ-DEOSSOPVSA-N 565.512 6.764 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865694111 PTLKZQSSPSWNGE-DEOSSOPVSA-N 527.422 6.309 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865695020 HYKHYQRTVKMNEL-HSZRJFAPSA-N 533.510 5.400 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865695258 ATVVKOCUOGKIAG-HHHXNRCGSA-N 537.620 5.739 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696268 LJFLPMFLVLTZCW-QHCPKHFHSA-N 547.384 5.432 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865696830 RDXGZQDLGPSGGU-AREMUKBSSA-N 502.615 5.629 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709235 RMJKTVMPCABQDY-SANMLTNESA-N 514.541 5.617 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711735 HATMVOLISKJXIY-VWLOTQADSA-N 579.440 6.099 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C)c1-c1ccc(Br)cc1 1866131667 HSFDZRJMGSALSM-MHWRWJLKSA-N 560.267 6.581 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866747492 ZDAZOHNHDXTWES-NSOVKSMOSA-N 531.747 6.755 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867087839 LHCWMGSOEFZGAN-WJOKGBTCSA-N 572.690 6.013 50 10 KKGE CC/C(=C\C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 1867114937 RCBQMEKNESUZAA-BUVIUBTMSA-N 550.478 6.320 50 10 KKGE CC[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128855 UMWBRFCKSRQGSP-CLOONOSVSA-N 582.520 5.986 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867132348 RDOPNTWIYOIZSL-OFSOJUDTSA-N 587.717 7.117 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)nc(Cc3ccccc3)n2)cc1 1868207126 HBHWGDUMZAOZCD-RUZDIDTESA-N 556.533 7.358 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868413606 BUWRGGIEYHFYOM-RUZDIDTESA-N 539.064 6.060 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1Cl 1872756046 BINYAHZQVSBTJQ-FLFQWRMESA-N 507.011 7.286 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCCCc1ccccc1 1872792809 RXBOZRKYPMKKIL-KOEQRZSOSA-N 510.659 7.520 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc1OCc1ccccc1F 1873794413 HZVNKYFLEJNKAJ-DTSNDPNPSA-N 501.599 5.193 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)Cc1ccccc1Br 1923047153 AJLNQSFWBMQYAU-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE FC(F)(F)C([C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924601098 VEFBQASEDUEUPO-GSVOUGTGSA-N 519.324 7.056 50 10 KKGE CCCc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 2027130639 GVAFFWULRFKWTA-CQSZACIVSA-N 500.037 6.552 50 10 KKGE CCOc1cc(C=CC(=O)NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 2042446266 TXQDKBMPFGSDHM-UHFFFAOYSA-N 690.262 6.667 50 10 KKGE Clc1cc([C@H](Br)c2cc(I)sn2)c(Cl)c(Cl)c1Cl 2056497054 QSSGVQFVQUJLAS-ZETCQYMHSA-N 517.828 6.846 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c1C 2082883089 DFKPDWKKBJXEFP-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(C(F)(F)F)cc1I 2125294026 RGJBFQGEDKALTI-UHFFFAOYSA-N 523.384 5.023 50 10 KKGE CC1(C)CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468833 OCHUTMSSZIYERL-SNVBAGLBSA-N 538.343 7.843 50 10 KKGE CCC1(C)CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141470642 IYUHGSDCCLHDJA-OFBKNLNESA-N 538.343 7.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2141471356 QLDBYWIKYUBDNT-ZRGCEPCHSA-N 582.750 6.598 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)cc1F 2142286452 CTGLKQURHCLBAD-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)ccc2F)c1Br 2201070255 MZMNYTWOVNRICE-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Cl)c1Cl 2203432356 HUIQYIIMWMXGPL-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CO[C@@H]2COC[C@@H]21 2206394078 DGLXWKWAPDZKJW-QRJBYZQTSA-N 554.298 5.678 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC23CCCCC3)c1Br 2206396199 UFPPUKABPUYGNU-PELKAZGASA-N 594.805 8.143 50 10 KKGE C[C@@H](c1ccccc1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404326 UMRJOELPECMOLY-AYVTZFPOSA-N 546.322 7.820 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2218596455 FCFNBKMXZWQMCE-NSHDSACASA-N 505.805 5.331 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2248216640 VCSWFXWMMZWDKJ-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)sc1Br 2256331368 LQGDPNVHKXATHM-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1F 2279158699 NONLRTGMVZJTMN-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)c(C)c1F 2279161780 WQKVEFQHNVIXQW-CQSZACIVSA-N 515.961 6.433 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 2313567082 FURPCMMHLREJPU-UHFFFAOYSA-N 552.472 6.437 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 2313738643 LZOCLMJGUGKWTI-UHFFFAOYSA-N 517.412 7.670 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314490571 ZAVYEDYAEGIVKR-UHFFFAOYSA-N 541.415 8.701 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314610428 IIHVPHBDSHJSRR-UHFFFAOYSA-N 584.720 7.599 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314611495 VOUQXHVKRXORKH-UHFFFAOYSA-N 560.629 6.506 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314620960 XGDWMTVMTMBLOI-NRFANRHFSA-N 558.613 6.103 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OCC)cc1 2314737710 LTBCOPVTARCGRP-UHFFFAOYSA-N 504.608 6.325 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1OC 2314793760 ZBYZQJLEBMAOKR-UHFFFAOYSA-N 516.619 6.033 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2c(Br)cccc2Br)C1 2318173457 WYMJLDHRGDIPPR-SFHVURJKSA-N 589.106 5.933 50 10 KKGE CCN(C[C@](C)(CBr)OCc1cc(I)ccc1Br)C(=O)OC(C)(C)C 2319212092 FZAZYVLANGOAAP-SFHVURJKSA-N 591.122 5.981 50 10 KKGE COc1ccc([C@@H](Br)c2csc(C)c2Br)cc1I 2320492332 WOGRQNXMICDFKY-CYBMUJFWSA-N 502.009 5.917 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 2321721484 PNDHMIGEOWKLTH-NRFANRHFSA-N 516.038 5.415 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 2328824707 ZFZWWFGOGGTKNP-VWLOTQADSA-N 507.606 5.947 50 10 KKGE COc1cc2nc(C(C#N)=Cc3c(OCc4ccc(F)cc4)ccc4ccccc34)nc(O)c2cc1OC 2331042474 CQWMWHDCUXSVPK-UHFFFAOYSA-N 507.521 6.288 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123467 AXNIBTJDMUJQHN-UHFFFAOYSA-N 518.635 6.286 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)c(C)c1 2331309108 XLDGCDMYURXKHS-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Br)cc3)n2)cc1 2331344749 JVUDMNOSAMNXDX-UHFFFAOYSA-N 511.485 7.957 50 10 KKGE Clc1ccc(I)cc1CC[C@@H](Br)c1ccccc1Br 2352415814 MYUKYERICAQBTR-CQSZACIVSA-N 514.426 6.776 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2csc(I)c2)c1 2353038394 SDGWIFDNCNZDRY-ZDUSSCGKSA-N 516.036 6.171 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2364070575 NCWFGWWJLREKCU-SECBINFHSA-N 546.699 6.996 50 10 KKGE Cc1ccc(N/C(SCC(=O)c2ccc(Br)cc2)=C(/C#N)c2nc3ccccc3s2)cc1 3321446 FGLOVNJVXNFFHE-HIXSDJFHSA-N 520.477 7.288 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)c1 33709765 CFEUXTUGQDRAEK-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccc(Cl)cc1 33724369 AIJIEOHJLQVBFU-UNOMPAQXSA-N 507.930 5.780 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 38607845 PABNSPPBGAGZTP-TURZUDJPSA-N 520.633 6.253 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38701454 UWQWGEORGDWBJR-NDEPHWFRSA-N 526.564 6.887 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(Cl)cc2)cc1OC 97914763 JBQWNDQRMGLHEL-WHJRKYDLSA-N 521.485 5.403 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1sc2ccccc2c1Cl 100055249 ROMBGUPEWYJTKP-UHFFFAOYSA-N 532.641 5.228 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240877 JBCZRHACXNNOFY-UZEPBSNMSA-N 536.484 6.298 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OCC)cc1 101241840 MXMFPAAZHWSZGR-JHMOUWFPSA-N 502.423 5.121 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242099 HHAMYLMAOGQTPV-HVBJHMBASA-N 559.997 6.257 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246367 YHTBGUMOZQHVKL-IEQIIXMPSA-N 535.591 6.696 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101295648 HMAMLEPJLABNFY-SANMLTNESA-N 533.378 5.216 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101303279 QFZOXLQJTNKEHM-ASYBXRLASA-N 616.699 5.021 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 101370292 ULWYCJMEGTZNKS-SANMLTNESA-N 533.422 6.455 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374684 YKXDXNADPAAAIG-XIFFEERXSA-N 584.713 7.154 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379450 QFOKPJSMYWUITO-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386851 GEQWJSABZRPVPE-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386884 YAFWWSGQIAKNJB-AUSOSSAASA-N 594.639 6.567 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388386 CWIZWUARZFATLA-PMERELPUSA-N 553.014 6.755 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388471 CPWSXZJBKRGJSP-XIFFEERXSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388702 ZOIDGJYVGQEYMU-PMERELPUSA-N 587.459 7.408 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101389059 QWCXIYBOYGNIFK-MGBGTMOVSA-N 615.057 6.968 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1Cl 101390547 ILXLVTXSGCFFDN-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101393900 PVGLCQANWHIYRZ-VWLOTQADSA-N 529.390 6.504 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101398875 NEOLOCNVRTYZQT-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE Cc1ccc(Cc2nc(N3CCN(C(=O)C(C)(C)CCl)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 103137055 RZSGCPXJWMSUEV-UHFFFAOYSA-N 535.067 5.076 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc(F)c1 103877424 DUHGHNRGJQCOSZ-FNTLCPBMSA-N 573.668 7.672 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 103887953 HOCSDZDKYOSZTC-JAIQZWGSSA-N 521.367 5.589 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1Cl 103890335 BDCUHTBYTIESPY-IZZDOVSWSA-N 541.572 7.123 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497403 RSDURKZASJCQGK-DPNNOFEESA-N 659.573 8.526 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 164015907 KJPUJLLTWNJAEL-HIWRWHBISA-N 656.960 8.332 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164616001 KRBQBTSNBJAAPD-IPBVOBEMSA-N 779.992 7.510 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 214279643 FBAKKNPNFORPIJ-COEJQBHMSA-N 542.639 6.511 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 252615117 JPDMILCZHPOQOV-UHFFFAOYSA-N 583.022 5.171 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](Br)C[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 254402868 LRUCATHKPYDWOQ-QRVCXZENSA-N 571.684 9.707 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 254440546 GKJTUPWCDGDYMZ-UHFFFAOYSA-N 508.694 6.015 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254448550 NCXYEOVZEWRROU-UHFFFAOYSA-N 512.683 5.640 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254478042 HOBPKWSWQZYDMF-UHFFFAOYSA-N 513.667 5.873 50 10 KKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254588605 DXXHQAHFTWBYOC-UHFFFAOYSA-N 539.860 6.480 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254705173 AITXAFYCBJINFZ-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nnc2-c2ccccc2)cc1 254750184 HLCYOHDWMVHIMY-UHFFFAOYSA-N 513.667 5.873 50 10 KKGE Br[C@H]1CC[C@@H](Br)[C@@H](Br)C[C@@H](Br)[C@@H](Br)CCC[C@H]1Br 585669570 JTNIFONMLVMYNH-DDYHOKDCSA-N 641.700 6.922 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1c2ccccc2CCN1CCO[Si](C)(C)C(C)(C)C 616679290 RCTVFWHMDWFJEG-LJAQVGFWSA-N 525.926 8.220 50 10 KKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)sc1Br 689543224 FCTWHVSGEWXRNS-LBPRGKRZSA-N 545.916 6.845 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(OC)c(OC)c3)o2)cc1 725380622 DYWCWWPVYNGNEO-UHFFFAOYSA-N 656.113 5.148 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1083896261 DPVNRSOFSNXGNJ-MUUNZHRXSA-N 512.606 5.790 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1083903937 ZRDILTLNSISLSG-ZLGCBXFLSA-N 525.674 6.321 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)cc1 1083908853 AOLQFKRYUYULCR-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(C)c1 1084331489 ZJKVXCWCDBGPIA-YBFXNURJSA-N 515.824 7.479 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 1084459246 ITNVYHMZUVIKCY-UHFFFAOYSA-N 611.279 6.991 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(C)o2)c2cc(Cl)cc(Cl)c2)cc1 1084503273 HMNGTQGBDLDXQD-UHFFFAOYSA-N 559.269 5.311 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1 1084563428 UNMFKIVHCWXHCR-WOJGMQOQSA-N 504.222 5.514 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 1772745913 KKYBTNVHWLGGLB-UHFFFAOYSA-N 504.543 5.398 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)cc1 1772746686 YOZLCMGEHKNEFW-UHFFFAOYSA-N 548.393 5.597 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748674 MSXFSWUEVMXWKQ-UHFFFAOYSA-N 581.676 8.244 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)c(Br)c1 1772756049 KGVLMFIYLCKWLG-UHFFFAOYSA-N 545.861 6.172 50 10 KKGE Cc1cc(O[C@H](C)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc(C)c1Cl 1772756305 SPBKCJXTRPZYCQ-GOSISDBHSA-N 515.835 6.216 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865682374 NCXNXBHIIZGYSK-RUZDIDTESA-N 513.016 6.907 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686181 RPCHGCNQSWCGTB-OAQYLSRUSA-N 568.258 6.835 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(F)c1 1865692215 CMTRIQLANDTZPE-LJQANCHMSA-N 502.468 5.105 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865695056 ILVMYIKEZDHFBN-HHHXNRCGSA-N 500.643 5.988 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865695244 ANIOZLYUZRTECY-AREMUKBSSA-N 507.034 6.079 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865695883 ITXJDKLCBBSXTO-RUZDIDTESA-N 502.615 5.764 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCCCc1ccccc1 1865696107 CFTFKIWBKYDCRT-SANMLTNESA-N 560.576 6.438 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700678 AXBPXBSZUBAGAT-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704655 AZZWZQWYGXMPTO-OAQYLSRUSA-N 502.452 5.328 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714368 IJLZBKORXHZEBY-HSZRJFAPSA-N 513.395 5.837 50 10 KKGE CCC[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866566965 GZCCOMBBXSVOIS-NRFANRHFSA-N 532.716 6.578 50 10 KKGE CC/C(=C\C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866684735 STXCZXLJPPSWQV-GDNFTRMYSA-N 501.608 5.134 50 10 KKGE CC[C@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866854745 RZHIMERZQLBLMV-FQEVSTJZSA-N 514.438 5.388 50 10 KKGE CC(C)(C)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866874316 DZVAVSLMBAMKOI-HSZRJFAPSA-N 543.718 5.875 50 10 KKGE CC[C@](C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218330 AMVBLEUXFFVJGO-OUTSHDOLSA-N 535.641 5.862 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)nc(-c3ccccc3)n2)cc1 1868364970 JTXLPORHMFYDDB-DEOSSOPVSA-N 500.027 6.692 50 10 KKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C[C@H]1C 1868506347 VNYSZYLXZPNJLY-WOJBJXKFSA-N 504.660 5.014 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 1872754641 CAFCGJPXHYFCGB-RRCCURSSSA-N 501.608 5.939 50 10 KKGE COc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)ccc1Br 1876918387 GCKUXJUAJVSCAP-LLVKDONJSA-N 533.905 6.837 50 10 KKGE O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915762087 DHUWMZMXNCWTPF-UHFFFAOYSA-N 507.675 5.564 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 1924616035 KADBHHKGKCHLLJ-ODHVRURNSA-N 521.938 7.298 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(I)sn1 2023701712 XWBAFPYPCAEJOB-NSHDSACASA-N 507.416 5.956 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)s1 2029233686 WJSTVYOYVPJBPR-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3c4ccccc4c(Cl)c4ccccc34)cc2)cc1 2079471637 OCLFZLGUKCNIID-UHFFFAOYSA-N 521.060 8.287 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1csc(I)c1 2083450759 QPMPWZKQVVRAPL-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2COCCO2)c1Br 2085496921 YPQQMHVFHYWBTE-RDDDGLTNSA-N 572.711 5.588 50 10 KKGE Brc1cccc(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094670805 GGVHVFHDRLNWSW-ZDUSSCGKSA-N 529.917 7.397 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 2136384057 LIPMNFLCYAAHJI-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2137643943 WIFWKYQUVFFREI-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2141469219 SWWLKWIIOAFQOL-JJNWXHLYSA-N 580.778 7.609 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 2175009658 CEXHFTIIJYRLCP-ZWKOPEQDSA-N 676.896 5.600 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCCC1 2179824994 BJDGHFULXWRGAR-UHFFFAOYSA-N 515.311 6.176 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2181744238 AIJSDGOYCLUSQK-PWRODBHTSA-N 517.802 5.831 50 10 KKGE CCC[C@H](CC(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394123 FAFLXKPULBBABA-PSLIRLAXSA-N 554.386 8.479 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(I)c(C)c2)cc1C 2236009965 PUDLQGVRHKUKPO-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(Cl)c2Br)c1Br 2256136345 JVMGMRQSXUSGJU-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Clc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277957363 TZCCTCFSVLCYRN-LBPRGKRZSA-N 532.295 7.306 50 10 KKGE Clc1cccc([C@H](Br)c2cc3sc(Br)cc3s2)c1Br 2278096791 OSGWZDUSOSGDHO-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1Br 2288078333 KNRUXTDMSKWUQH-JTQLQIEISA-N 517.043 5.325 50 10 KKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288344399 JCYYXWIQCABHJE-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198353 YLKGKXLIGGAWEI-QHCPKHFHSA-N 552.881 5.845 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Br)cc2)C1=O 2293198428 OGNORGYGGMXMBZ-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2293202118 FMKADRYKUQBVAP-UHFFFAOYSA-N 548.384 6.626 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296506872 JFBCYRLSCMHAGK-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE CC(C=NNC(=O)CNc1cccc2ccccc12)=Cc1ccc(C=C(C)C=NNC(=O)CNc2cccc3ccccc23)cc1 2296647308 RINRJDWQJOBHBI-UHFFFAOYSA-N 608.746 7.228 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647861 PDSFNJWJUYIXSM-UHFFFAOYSA-N 612.436 5.318 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2[nH]1 2296846395 IHMQPGRIBBZLJL-UHFFFAOYSA-N 534.645 5.654 50 10 KKGE CC(C=NNC(=O)CSc1nnc(CNc2ccc(Br)cc2)n1C)=Cc1ccc(C(C)C)cc1 2297109542 HATQZIPSWTWWEP-UHFFFAOYSA-N 541.519 5.611 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313567892 OZRLIEKJXGFFIF-UHFFFAOYSA-N 628.308 5.888 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 2313567931 PVIJVVPLKKBSGI-UHFFFAOYSA-N 533.047 6.093 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592665 ZVEQVWQVIBTFRF-VWLOTQADSA-N 534.037 5.812 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617463 YUAAAPDDIAHJAX-UHFFFAOYSA-N 573.609 5.947 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C(C)=C(C#N)C2=O)cc1OC 2314617495 ZHIJJQBEBVCMAZ-SANMLTNESA-N 705.837 5.812 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314617587 HUDSEOJOTSIOJH-UHFFFAOYSA-N 500.558 5.340 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314618326 LKHKFTHOIMQONM-AREMUKBSSA-N 608.673 7.611 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634571 JPYJISDJEWMIOY-HHHXNRCGSA-N 502.954 5.584 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 2314785642 GYTDDNJNVHFDDF-UHFFFAOYSA-N 505.398 5.590 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(Br)c1 2317417786 JJCKXXXYBKKIRG-JTQLQIEISA-N 521.869 6.967 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)NN=Cc2cc3ccccc3n2C)cc1 2321698192 GURAKEDXRZJWTH-JOCHJYFZSA-N 524.665 6.595 50 10 KKGE CC1(C)CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CBr 2349836834 OPDIOTAODBJAQA-AWEZNQCLSA-N 501.044 5.439 50 10 KKGE COc1ccc(CBr)cc1OCc1ccc(I)c(Br)c1 2377291767 QUXFDCMIQCHEOD-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE COC(=O)c1sccc1N/C=C(\C#N)C(=O)c1cccc(CSc2cccc(C(F)(F)F)c2)c1 2142312 SFGKYLIACBKNEV-GHRIWEEISA-N 502.539 6.548 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4929788 UEEJNHZLXCFOSD-QQXRELQNSA-N 557.994 5.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(Br)cc1 38651829 CPCXUJZJVJWVKC-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655542 QIEDTHKOCQSHIQ-XMMPIXPASA-N 515.780 6.158 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 38659607 INOBZPPRGCVBHV-HHHXNRCGSA-N 520.969 5.258 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OC)c2)cc1 38660147 NQIVEDGZVVEPOW-GDLZYMKVSA-N 526.589 5.876 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 38660334 VXBWOKWYPPNQLU-NDEPHWFRSA-N 514.578 5.566 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38684324 OVYYRCVKWDUYMS-SSEXGKCCSA-N 512.606 6.021 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686585 ANUHTJRXURYXDH-PMERELPUSA-N 522.988 6.285 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=S)Nc1ccccc1)CCC2 40825223 BDBZGSNIBNTPJY-QFMPWRQOSA-N 509.635 6.098 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100083365 WNNLZCAHQSOJEC-UHFFFAOYSA-N 559.530 5.215 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)cc1 100335850 WGFGEERIONNFTE-UDWIEESQSA-N 524.358 5.733 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 101002469 ZWIXUOSJQZKZQR-LVBJXMSMSA-N 567.045 5.546 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246557 ZOWXBMWAQBNRSY-MIGQBWSYSA-N 566.510 7.190 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(F)c3)C2=O)cc1 101340167 PKQITWCXOMPIFZ-WPWMEQJKSA-N 562.601 5.531 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1Cl 101363577 XOCWTYOVILTYBF-JOCHJYFZSA-N 560.231 6.592 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCCC(C)C 101368475 OLHZKUBZGBPFGI-HSZRJFAPSA-N 604.528 6.018 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 101374016 LFTUKXNVCIDFEK-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378670 YEOSIPGTYXIBIB-JGCGQSQUSA-N 546.623 6.800 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5)ccc43)c2)cc1 101382014 XRYGJHGQFWVZJR-GILSBLPBSA-N 549.026 7.064 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387385 WCIXHCLWFIJRDO-BHVANESWSA-N 612.657 7.369 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389583 WOSYMNGTOILETN-DHUJRADRSA-N 622.693 7.303 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)cc1Cl 101396111 JLIDDPMAWSBJFI-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1 102935038 XRMDDFNFKXYDEV-ZDLGFXPLSA-N 538.354 5.586 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 103796936 CWBXCVXFSPWOIQ-ZSNJKBEMSA-N 584.503 8.111 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N 103797193 GJIPUUJIHQGEGC-HPNXWYHWSA-N 540.623 6.676 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2cc(Br)ccc2o1 103876599 FLURNOVDSZXPKB-IPBVOBEMSA-N 536.184 6.984 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc2ccccc12 103878870 HKYLYOKYOHSCHU-MMFILIDRSA-N 605.738 8.686 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400483 VKPFROXLVNAKFO-AFKHHDMJSA-N 861.972 7.371 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433009 YAKWFRSWMVKQLK-UUWRZZSWSA-N 645.539 7.791 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150462478 ATVWJNNBWWFHEJ-NDEPHWFRSA-N 647.511 8.372 50 10 KKGE CC(C)C[Si]12O[Si]3(CC(C)C)O[Si]4(CC(C)C)O[Si](CC(C)C)(O1)O[Si]1(CC(C)C)O[Si](CC(C)C)(O2)O[Si](CC(C)C)(O3)O[Si](CC(C)C)(O4)O1 195807023 GPJIUZGXKCEIEO-UHFFFAOYSA-N 873.604 9.013 50 10 KKGE CC(C)(C)[Si](OCCCCCCCCC/C=C(\F)C(=O)N[C@H]1C[C@H]1NC(=O)/C(F)=C/CCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1 206671692 YCNBWNBYXDAZRZ-OUDGOJGBSA-N 977.483 12.461 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 206692233 NROJBOVQRSMJJL-VJNJYKIVSA-N 592.648 6.417 50 10 KKGE O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)C1=C(P(c2ccccc2)c2ccccc2)C=CCC1 212163703 FIUDWRVXFUVMIT-ZAQUEYBZSA-N 692.780 7.339 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214278052 AOVOKPVLZLZFLM-HWIUFGAZSA-N 590.683 7.219 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=C/C=C\c2ccccc2)n1-c1ccccc1 254631821 QPVYKWIVQROQOE-VKMRSDSASA-N 622.536 6.088 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 254660135 YMFYAGRLAKCOKH-KPZIFIMUSA-N 655.549 6.054 50 10 KKGE CCOc1cc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OC(=O)c1ccc(Br)cc1 254752558 OKMJWAUCWDWJGY-UHFFFAOYSA-N 734.033 6.884 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nnc2-c2ccccc2)cc1 254851088 JWVSGTLAPCGSET-UHFFFAOYSA-N 519.630 6.277 50 10 KKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 504477616 JYZNDQLCHFXCEM-IMAXPTLCSA-N 561.601 7.083 50 10 KKGE biogenic CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CNc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616586138 VDGXXUHIBDZWQR-NDEPHWFRSA-N 526.914 8.246 50 10 KKGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 616591280 VLGQRMASAAPPOT-KFYHIGQESA-N 889.042 8.459 50 10 KKGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(I)ccc2Br)C1 701598141 WTTLUKWIPCAQMG-LLVKDONJSA-N 515.027 5.079 50 10 KKGE CC(C)(C)OC(=O)NC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725237499 JBINDLDNIPNTNJ-NRFANRHFSA-N 560.038 5.596 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 1083904656 QGLWAMCQYGXZBT-UHFFFAOYSA-N 510.535 5.351 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1083930842 AAFLVKNYJAMMKJ-XDHOZWIPSA-N 511.803 6.626 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 1084141776 CTIOJIIJSOKRBV-UHFFFAOYSA-N 586.928 7.115 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc2ccccc12 1084150649 RYMOLJNXWWRVBY-YTTGMZPUSA-N 566.698 6.909 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084359576 LLQHSOPHBOTTEQ-UHFFFAOYSA-N 571.110 5.619 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1)S(=O)(=O)c1ccccc1 1084415571 LQARDHVBRPDGRK-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084442626 PZEPTRSJYMLPSA-UHFFFAOYSA-N 611.189 6.214 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cccc(OCc3ccc(I)cc3)c2)cc1 1084472960 ZDIDSNRBTZFEHD-UHFFFAOYSA-N 500.336 5.033 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc(Cl)cc2Cl)c2cc(Br)ccc21 1772752382 BRZIBWQXJWGSCY-UHFFFAOYSA-N 513.219 5.192 50 10 KKGE COC(=O)[C@H]1O[C@H](Oc2ccc3c(=O)oc4cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc4c3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848441670 PEZBSTCGYFEDNC-YBLWSEOBSA-N 700.810 5.572 50 10 KKGE Cc1sc2ncn(CC(=O)N/N=C/c3cccc(OCc4ccccc4)c3)c(=O)c2c1-c1ccccc1 1860772637 COUKROQYIYRWPH-WCMJOSRZSA-N 508.603 5.163 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865687214 MBHYDENFNGCQRY-DEOSSOPVSA-N 550.512 5.895 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692407 FKPXXCMFZXNMHW-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCCCc1ccccc1 1865696574 HXRLZLPEZTXWDV-AREMUKBSSA-N 578.566 6.328 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701504 WZUDUVMYBOJAGL-RUZDIDTESA-N 551.861 7.192 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(Br)cc1 1865715054 UNYSFSPFTOJXRL-JOCHJYFZSA-N 501.359 5.718 50 10 KKGE CSCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867037258 QRUZFFUSWLXGBT-LEWJYISDSA-N 575.579 5.877 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434009 ULUFORKGUWUSPA-WJOKGBTCSA-N 574.153 8.850 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)n2)cc1 1868528552 UZNRCVCGCDQIIF-XIFFEERXSA-N 573.697 8.150 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3c(F)cccc3Cl)nc(O)c2cc1OC 1872727438 AWUXHTXQYXFVKC-MHWRWJLKSA-N 521.932 5.797 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4cccc(Cl)c4)c(OC)c3)nc2c1 1872728562 JESUQIBAVCLEEE-VXLYETTFSA-N 501.926 5.427 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748348 UBNALZQAUUEWIM-FOSWXRMZSA-N 511.990 6.164 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCC)c(OC)c3)n2)cc1 1872753432 WWGQRGVCWXUXCF-LAWSVJCLSA-N 518.679 8.073 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)cc2C1=O 1872754994 UAIOAIDWRGCHNJ-LNVKXUELSA-N 503.580 5.018 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)cc1OCCC 1872818296 WDFHRPSYGGYVMZ-QOCHGBHMSA-N 503.451 7.730 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 1912970508 YAPZOKIFKDICCL-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE CCn1cc([C@@H](Br)c2sc(Br)cc2Br)nc1Br 1922885619 IKSYOXPPRDPSNO-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1924595158 VHARKYVIICAGPG-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE CC(C)(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048562 RDIVEDWFPVDBEA-SNVBAGLBSA-N 542.729 7.219 50 10 KKGE CC[C@@H](C)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780095 OWUMUYKKPUNMJX-RNFRBKRXSA-N 556.756 7.609 50 10 KKGE CO[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780231 QFDVUAUUZAADHM-HIPXNAPESA-N 512.261 6.051 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1C(F)(F)F 2039188127 RFQIRSJKVYLOFI-FROZIPMSSA-N 535.843 7.060 50 10 KKGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 2053614804 LJZYUHILMGEOPH-MPDPROBVSA-N 615.863 5.756 50 10 KKGE O=C(Nc1ccc(Cl)cc1)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2053622103 LYMBZXUQALJYSQ-UHFFFAOYSA-N 577.020 7.091 50 10 KKGE CC1(C)CC12CC([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2063994117 OQDIGLFJMKCIMB-PHATYLTASA-N 521.938 7.298 50 10 KKGE Fc1cc([C@@H](Br)c2cccc(Br)c2Br)c(F)cc1Br 2092330499 JMKXNAAOBDYQIP-LBPRGKRZSA-N 519.803 6.737 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 2137649077 TUYGOOVOUMEVQG-CQSZACIVSA-N 579.295 7.262 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccccc2I)c1Br 2138865023 PVYKPANBVRIWIE-ZDUSSCGKSA-N 558.877 6.803 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2206398089 QPKWRTZJRYCQPZ-LLVKDONJSA-N 767.511 8.588 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCC[C@H]32)c1Br 2218093188 VKIMXZRHFOMABS-OTKUIEDOSA-N 523.910 6.287 50 10 KKGE Cc1ccc(I)c([C@H](Br)Cc2ccc(Br)cc2Cl)c1 2232235322 VPGINIFIFFPZGF-CYBMUJFWSA-N 514.426 6.694 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081626 HLDWDKJJUVOVGF-OAHLLOKOSA-N 525.860 6.393 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268280900 WAYPYCVTHINEFR-CQSZACIVSA-N 516.398 6.200 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC(F)F)cc1 2297488357 LKCRDKVNDXBMOK-UHFFFAOYSA-N 530.556 6.171 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc2ccccc12 2313510923 DRSHEHMSRQDSJA-UHFFFAOYSA-N 513.391 6.736 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2313511137 PVMSFGOBKLDNFX-UHFFFAOYSA-N 609.247 6.740 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 2313568446 SNJXMHFHFYZACN-UHFFFAOYSA-N 664.237 6.058 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 2314414900 QEVJGMMLSOYITG-UHFFFAOYSA-N 535.600 6.596 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@H](CC)C2 2314571857 NIYQUILLNYJMHO-HNNXBMFYSA-N 543.472 7.552 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592044 KQGOMWNRFWFQGM-XMMPIXPASA-N 552.483 6.629 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OCC)cc1 2314593258 KJQAUBHSJLNBCJ-OAQYLSRUSA-N 535.975 5.486 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593264 KLBDIGNUQALGRI-UZTOHYMASA-N 564.538 7.420 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593380 MDGHTAOWJJHQAL-NIYFSFCBSA-N 565.617 6.408 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593634 QESRWSUPMHBDLQ-MNNSJKJDSA-N 523.702 6.676 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 2314618156 IHOWIFKNUPNOBY-UHFFFAOYSA-N 535.991 5.389 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314618451 NVDJCSLBFBCHFV-SANMLTNESA-N 631.758 6.067 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634339 FROMJZHHMABOIP-MUUNZHRXSA-N 514.965 5.750 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634684 XJJCPSLWBJOLKW-WJOKGBTCSA-N 540.616 6.110 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314640648 HUXNSGSUVQEDPL-UMSFTDKQSA-N 564.726 8.170 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)cc1 2314646590 DNWJOJOARRETJX-VWLOTQADSA-N 655.132 5.127 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 2314646616 FXYCWSNWFSYIIE-PMERELPUSA-N 640.721 5.618 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)cc1Br 2314770490 CMVOPRHCKYPTOK-UHFFFAOYSA-N 567.436 5.772 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)n1 2331410806 GWJBNYUVOPMLPQ-CYBMUJFWSA-N 516.406 5.980 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCCCc1ccccc1 2331453481 XLZOXVIVIZAPMG-UHFFFAOYSA-N 508.687 8.192 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCC)c(OCC)c3)n2)cc1 2331459618 AVPBHDUSEDWIPK-UHFFFAOYSA-N 504.696 8.411 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228339 NHMMFQFDIMXCQN-FCBCCEKLSA-N 503.353 7.029 50 10 KKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2)cc1I 2362431891 HJXYBWIJWLPEGJ-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE COc1c(C)cc([C@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 2362871076 YCTQZUJLFIRFCZ-NSHDSACASA-N 503.481 7.036 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1767566 DFZAYIJPYFHKLF-HMAPJEAMSA-N 530.447 6.621 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 33491434 SFAPBYVIAPGZNP-ZHZULCJRSA-N 505.962 5.038 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651511 VNRKZPJUAQGQOG-PSLXWICFSA-N 509.331 5.179 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38685166 CTSYJHTYRSRADQ-XRHLQHRESA-N 502.542 5.596 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813045 HKHSYYYFRYVXBE-WPWMEQJKSA-N 501.326 5.526 50 10 KKGE CC[C@]1(C)[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 97646577 PRFLYHAVMABXJO-DMDPSCGWSA-N 505.870 6.305 50 10 KKGE Cc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(C)c(Br)c3)cc2)cc1Br 100059751 GAJDXHHGDGWCLZ-OCHFTUDZSA-N 556.258 5.356 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 100199509 CPBTXIKRTITKMW-UHFFFAOYSA-N 536.492 5.145 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246052 MLPWQURPZKXJQC-SJCFVWOQSA-N 549.618 7.202 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101372954 YUYFJETXMFNCMV-HHHXNRCGSA-N 539.415 6.375 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387016 ZXMWYGJXUDXQEL-GDLZYMKVSA-N 601.428 6.613 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387465 NMPNBMWKMBETLI-HKBQPEDESA-N 603.458 6.784 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387966 QFSJDTBCLMJTGP-GNTYDJQKSA-N 618.730 7.687 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389785 IRMKQRYNRPRVHQ-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 101397178 YJNWGUDUUCGMTN-IHLOFXLRSA-N 540.616 5.999 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OC)cc1OC 101827241 ZSOZULXASTYLLH-JJIBRWJFSA-N 546.689 7.277 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 102667107 CIKGZUDFGSJXDF-SJUMRLIPSA-N 511.603 5.237 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103742766 UUHIBBGQKLBNDW-IGPZKQPZSA-N 560.314 5.678 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 103806162 XAKHPOJZZUYSRB-OKCVXOCRSA-N 588.070 7.025 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103879053 WMKGWSPRDJQXSG-IPBVOBEMSA-N 580.635 7.093 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)c2)cc1 109560539 NPXQBIWVHITIGF-ITYLOYPMSA-N 535.607 6.727 50 10 KKGE Fc1cc2c(cc1I)nc(CCCl)n2-c1cccc(I)c1 116735298 LYNKQFJRLCVDLM-UHFFFAOYSA-N 526.518 5.155 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400633 ZWWUASGAUGUJJG-HJVAUPDUSA-N 972.087 10.526 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 150443025 PXLQDDCJMNCIIG-SSEXGKCCSA-N 635.475 7.556 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150460475 YQBZGLRFCRVWQL-AREMUKBSSA-N 643.976 8.876 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 150480279 QOJXARLZJSIYEC-DEOSSOPVSA-N 676.767 8.735 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc(Br)ccc2o1 163798153 BZUVSVOZDVZTBM-VYVUJPJFSA-N 722.986 8.212 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1 164610726 DMMLWALCNRSCCY-ZSNJKBEMSA-N 704.406 8.471 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205776625 RRYXAOZFFJIKQB-CZECRJHMSA-N 618.715 5.163 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 211936420 NRIWUQMKXXOYDF-HEHNFIMWSA-N 579.213 6.431 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214256408 FVZSRVYTJQRIPR-LBRHQESJSA-N 508.622 5.965 50 10 KKGE Cc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1I 235993670 NCHXSJNKSGETGT-CQSZACIVSA-N 522.043 7.061 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1cc(I)ccc1Br 236228613 OUCFWBMSANOAFW-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE C=CCN1C(=O)C(=NNC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c2ccccc21 252615424 JSBFQWKEBCONHZ-AHAUZJMSSA-N 556.066 5.010 50 10 KKGE CCCCOc1cccc(-c2cc(C(=O)NN=C[C@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)c1 252641164 ZAUACERNGYLVEZ-OAQYLSRUSA-N 509.606 6.404 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@@H]2/C(=C/[C@@H]3[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4CS3(=O)=O)CCC[C@@]21C 253387387 YAFPKHBUEBAVRS-CKKOYIMRSA-N 508.841 6.568 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253575109 UFPNDDRHOPLRQN-PGOROUBUSA-N 805.835 8.278 50 10 KKGE CCCN(CCC)CN1C(=O)C(=NNC(=O)CSc2nc3ccccc3s2)c2cc(Br)ccc21 254342052 RPDSMQJVRKOBKC-UHFFFAOYSA-N 560.543 5.098 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(Br)cc3)c2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 254449956 BEXJTHPJOQKMIV-UIOOFZCWSA-N 655.018 6.815 50 10 KKGE CC[C@H](C)c1ccc(OCCn2cc(C=NNC(=O)CSc3nnc(C)s3)c3ccccc32)cc1 254797093 HJBYJERZLJQOFQ-SFHVURJKSA-N 507.685 5.636 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2Br 261366741 IKIZELHZIAZMBG-UVBJJODRSA-N 548.035 6.330 50 10 KKGE COc1cc([C@H](Br)c2sccc2I)c(OC)cc1Br 311449318 RQTFHNQMHHLMBA-LBPRGKRZSA-N 518.008 5.617 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)cc1Cl 395568547 LJTXLNASOMKISE-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(O[Si](C)(C)C)=C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 504821472 LLDQVINTBNWOHR-MAIPAJCBSA-N 591.038 9.580 50 10 KKGE Br[C@H]1CC[C@@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H](Br)[C@H]1Br 585669576 KRBVZSQJTHCENM-JQRWTQJCSA-N 613.646 6.141 50 10 KKGE C[Si](C)(C)Oc1ccc([C@@H](Nc2ccc(F)cc2)[C@@H](CC[C@H](O)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 607716132 RTBAUOAVWATCFQ-YVEASBDZSA-N 644.791 8.182 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590358 QXQZQDMMTWVWDX-SKPRLWQBSA-N 654.920 8.706 50 10 KKGE BrCc1cc(Br)c(OCCc2ccc(Br)cn2)c(Br)c1 695703249 CNKAEQBJVMMMMU-UHFFFAOYSA-N 528.864 5.886 50 10 KKGE Fc1cc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Br 705615089 FYKHSMQKJDFZFV-UHFFFAOYSA-N 542.880 6.191 50 10 KKGE O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238876 YHDGMOHQXIRKDC-LJQANCHMSA-N 520.882 6.738 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Br)c1O 1083924640 WQQKIJOYNQZFBQ-WEVVVXLNSA-N 520.992 5.778 50 10 KKGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1083999840 HCDCDZNKEUSYPU-UHFFFAOYSA-N 568.218 5.062 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1 1084018234 AJSXZTKRKCTDQH-PXLXIMEGSA-N 505.412 6.535 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccccc2)cc1 1084282626 FTULPMODYIVRMC-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084467356 HWKJLJIPVMYFSS-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1084483962 KPXBKFNSKMHWSD-UHFFFAOYSA-N 508.747 8.271 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614613621 FVNGPHGJSKRUCD-CRAIPNDOSA-N 510.272 6.471 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749198 XZXWNKUNDJYFAJ-UHFFFAOYSA-N 500.382 6.016 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5cccc(Cl)c5)c(C)c43)coc2c1C 1772752055 STNXMRKLCPAENB-UHFFFAOYSA-N 547.011 5.079 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 1772755185 SQNWUUMLVURXQN-UHFFFAOYSA-N 512.031 6.424 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1865686255 SMHHXGKLBUHHQW-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687970 FHGHRCQYWPDOOK-MUUNZHRXSA-N 522.605 5.292 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3cccc(Cl)c3)cc2)cc1 1865694404 XVXXMDYVWRYKSE-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865695520 PFJNYFQIDNTMFM-VWLOTQADSA-N 512.997 5.877 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695702 GSAXUJZAJSMOQA-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695741 GZEMUEXOIXWUPP-HSZRJFAPSA-N 547.384 5.432 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OC 1865697505 UXBRKAXSOVQKSB-NDEPHWFRSA-N 554.622 6.152 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701576 YNSBXXLVSMZILM-DEOSSOPVSA-N 566.967 6.409 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703561 BHIUHCYYJIQPSJ-VWLOTQADSA-N 551.861 7.192 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703858 HDWCHHONEOXURA-AREMUKBSSA-N 517.416 6.344 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865706763 FCEAXDMKTFDBBO-SSEXGKCCSA-N 558.085 7.437 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCC(=O)N(CC)CC 1865707414 WQAANJBAUYCQFV-PMERELPUSA-N 551.647 5.198 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867070553 XITZASGCMZITKP-XMMPIXPASA-N 546.649 5.527 50 10 KKGE CC[C@H](CC(=O)N[C@@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867137135 IJCFAAVBZUBHNZ-GYCJOSAFSA-N 518.477 5.838 50 10 KKGE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867139660 DSPURJNAYKGDJA-UKILVPOCSA-N 522.070 6.367 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(C(C)C)cc4[C@@H]3c3ccccc3)n2)cc1 1868320085 AVSLOLNVCOJSRA-DHUJRADRSA-N 567.762 9.044 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868413909 FYBRQJVVJYNIKF-QHCPKHFHSA-N 501.015 6.087 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 1922883599 KLORTXBULOZNRN-KRWDZBQOSA-N 531.107 7.645 50 10 KKGE CC(C)(C)OC1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568693 KFCJFMFEXCFCML-QXUHLLMWSA-N 539.953 7.065 50 10 KKGE CC(C)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924569600 XPYOBWTZEOUFSO-QXUHLLMWSA-N 509.927 7.154 50 10 KKGE COc1c(C(C)(C)C)cc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1C(C)(C)C 2080745149 JIJHYOCKCFKMDP-CSPRLXHTSA-N 613.848 8.190 50 10 KKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(I)c1 2083330088 KPZWREHAJGQPLW-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE C[C@@H]1CCO[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494861 GANKZFZVGPHFTJ-XBZVRZDZSA-N 526.288 6.442 50 10 KKGE Cl[C@H](c1csc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2085496045 OSJBXZHIUUXSOG-LLVKDONJSA-N 603.193 7.889 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2137642477 JCAUYYSQRMOIAE-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccccc2I)c1Br 2141470800 KYHNXWCUUGHGNT-LLVKDONJSA-N 688.615 7.826 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141477508 RDUJTKCWHNICJY-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2cc(Cl)c(Br)cc2Cl)c1 2173450924 SZMIAILBMRMSPQ-UHFFFAOYSA-N 503.843 7.514 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Cl)cccc2Cl)c1Br 2201070657 OCTHTTSYPDGKGJ-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399919 NBHXUAUBCCKJKF-NSHDSACASA-N 676.060 8.637 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1Br 2206400902 FJDDDTQCGMGVBY-VYUIOLGVSA-N 594.805 7.999 50 10 KKGE FC(F)C1CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206403235 YCEGHCADYAPRCG-AHXFUIDQSA-N 604.747 7.854 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Br)c2Br)c1C 2218779425 GXIZWOGFEXWVEE-NSHDSACASA-N 517.906 7.137 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2226124392 JTMSLQRHQYWTDQ-SECBINFHSA-N 528.318 8.026 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(I)cc2)c(F)c1Br 2227804127 CXTWBEMAELINNF-LLVKDONJSA-N 505.897 5.955 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2234063847 COVDYULVAZWMOZ-JEYLPNPQSA-N 512.673 7.029 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3scc(Br)c3Cl)c2O1 2279288423 RQOBLKDGOAIRCP-KBUNVGBDSA-N 501.465 6.734 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288495563 VQOVVSIDGNHAKP-LLVKDONJSA-N 537.793 6.876 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccs4)c(NC(=O)C4=S=CC=C4)s3)o2)cc1 2295841130 HDQRWLAAQOROHN-UHFFFAOYSA-N 557.678 6.589 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2296506718 BMIDIKMAHHDTFR-VWLOTQADSA-N 511.603 5.237 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2296506736 CFOXALLTRPHDFB-SANMLTNESA-N 525.630 5.545 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645824 GHDYFQJZHNVIRS-UHFFFAOYSA-N 574.456 5.651 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568515 WKGYLXQDTIXEHN-UHFFFAOYSA-N 673.305 5.797 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc2ccccc12 2313571329 SOIBKELSOWGRGZ-UHFFFAOYSA-N 551.857 8.323 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C1 2314476013 HGMRIEWTIMRADC-DHIUTWEWSA-N 579.751 6.880 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@@H](CC)C2 2314572237 WOOOWSGYIJTNCC-GOSISDBHSA-N 525.630 6.794 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592821 CJBCLKCMISVRKW-AFMDSPMNSA-N 515.610 5.528 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(I)sn2)c1Br 2315445907 QYRSUUBWXMOJKY-VIFPVBQESA-N 545.824 6.393 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)c2ccccc2)cc1 2331404418 BQPIINMQTTYOSR-UHFFFAOYSA-N 519.453 8.549 50 10 KKGE COC[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2349807629 JJRPVKMBBRIPPI-DRZSPHRISA-N 502.028 5.422 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(Cl)c2Cl)c1Br 2362254107 LCISPGAITMALCZ-SNVBAGLBSA-N 526.252 7.795 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365184898 GSGRPLXNKWTNAL-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE C[C@H]1CC2CC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368125120 FVLRHCKSVRXGHS-VVPBMUBNSA-N 552.326 6.974 50 10 KKGE FC(F)(F)[C@H]1[C@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2377324646 QTKKSHLCUJYXSF-BXKDBHETSA-N 526.960 5.344 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888314 NIHMRBKPSUPJDZ-GUNDDFSMSA-N 506.002 5.264 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 20509340 CSZSZOKYHVURDP-TWKIEXGSSA-N 517.423 6.145 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 33779572 LKCILQMNBUCHRY-CTHAODRQSA-N 508.430 5.736 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c(OC)c1 38657072 CFQKQHLHVMOOOS-SANMLTNESA-N 520.969 5.177 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 38688611 HOGLAYFQHDHLGU-RUZDIDTESA-N 516.937 5.849 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 100236825 JELJKRAGRVJJOY-DXTDMJPYSA-N 579.908 6.987 50 10 KKGE CCOc1cc(/C=N\NC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869700 DZTUTURHRCRVGE-KYHGBAKBSA-N 607.457 5.767 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCC(=O)Nc1nccs1 101034420 WSHWHSVRBAGYOG-LICLKQGHSA-N 553.463 6.119 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101370677 NQNAVYVECQBFLE-SANMLTNESA-N 569.441 6.627 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OCC 101373587 NGCHNIQIYNCBFJ-ONNKAKFGSA-N 531.008 6.364 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101377200 GDIYGEUNBDGVSR-WKRVVKTRSA-N 540.660 6.970 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1 101377829 DLWQYGOGYWWXMF-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379699 PLKATUMXRDUOOC-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc(OC)c1OC 101379747 YZXVYPWWQLZZLS-PMERELPUSA-N 599.039 6.382 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380996 MREPYBPQGYCKKX-XFSFLGPDSA-N 564.613 6.558 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)c(C)c5)ccc43)c2)cc1 101382300 XKMWFANPNDWWQU-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1 101392892 VCKPJXKWXNNQAR-SSEXGKCCSA-N 609.103 7.888 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101393110 YPWOKEJSQQBUEU-LJAQVGFWSA-N 552.627 6.983 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101398679 XBTPHNHUCOYHFA-PMERELPUSA-N 619.476 7.938 50 10 KKGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 101499842 IFPYISPXJGZLLC-UHFFFAOYSA-N 521.714 5.304 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 101827672 UEKSFKVEDBXPJA-HMMYKYKNSA-N 553.478 6.997 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779663 YTSRLMPWDDQSGB-IADCTJSHSA-N 559.103 5.272 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 103742308 MPQWZCXUBLIVRW-XCQFTPQJSA-N 542.875 7.020 50 10 KKGE O=C(OCc1ccccc1)N1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 116540518 YKQQRDSDQHZSDT-XMMPIXPASA-N 580.028 5.561 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442113 LOZCKAXCQXWTBR-MGBGTMOVSA-N 655.534 8.772 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463295 UGMIJGAQZSEKBA-WJOKGBTCSA-N 645.470 8.212 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214378006 HIGKHFXSMDGWOU-DICXZTSXSA-N 516.576 6.088 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 214395088 JIZYJGSOCGTZFQ-FSGOGVSDSA-N 558.638 6.129 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1Cl 224654604 UKRQFXMMCAPEKW-JTQLQIEISA-N 505.453 6.428 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(F)cc2I)cc1Br 233791604 FEVBQJWRJAXHBX-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254863434 RCFVTNBAONSNLP-UHFFFAOYSA-N 510.590 6.401 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(C)n3-c3ccccc3)cc2)cc1 254870491 XRJCAEPOEJXCSN-UHFFFAOYSA-N 543.649 5.216 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)ccc1OCc1ccccc1Cl 256017333 GIGLKZUIADZDKL-QGZVFWFLSA-N 531.834 5.916 50 10 KKGE C[C@H](CCBr)CCOc1c(I)cc(Cl)cc1I 310419797 OAILPBKIUBFSPU-MRVPVSSYSA-N 543.408 5.739 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]34OC(=O)O[C@@H]3C(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C4(C)C 504395053 IAVYJZKSOXQISM-KOVWBGEESA-N 740.875 5.043 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504618346 UKWGOBGGUGJZAH-IEQZQAERSA-N 551.719 10.118 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O[C@H]1CC[C@H](N(C)C)[C@H](C)O1)[C@H](C)C2 575232769 ZFKWIQIRGQWRDP-RWPHJDGPSA-N 957.329 5.512 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616674387 HVNRRIBRTHMWGC-SANMLTNESA-N 511.899 8.572 50 10 KKGE COc1cccc2c1CCC[C@@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238772 XCVSJIRLESITSK-GBXCKJPGSA-N 537.003 6.282 50 10 KKGE CC(C)(C)Oc1ccccc1NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725240140 OOVRKDHFUBNZRU-QFIPXVFZSA-N 524.992 6.896 50 10 KKGE C=CCOc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OCC 1081104999 BVUONYCPRARTCX-UHFFFAOYSA-N 533.053 6.935 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084020648 JUQXIPKWNGXITG-UHFFFAOYSA-N 651.377 5.439 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1O 1084045094 WYNKGUPBYKEGMJ-UHFFFAOYSA-N 551.384 5.535 50 10 KKGE COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084069969 XTKVFIFRWHBXFJ-UHFFFAOYSA-N 567.281 6.750 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084080812 GEYRQVMYHHLXND-UHFFFAOYSA-N 538.276 5.941 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084305925 AJBQBEIHBXRDIB-RCCKNPSSSA-N 571.302 6.591 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 1084438410 IKUCHQWHBRHVGC-UHFFFAOYSA-N 636.568 6.324 50 10 KKGE CO[C@@H]1C=C2[C@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@@H](COC(C)=O)O1 1307209392 PHRYVLYQRZHPOL-FYYRRIAOSA-N 762.972 6.765 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751085 HFQLZDMOCYPRFW-UHFFFAOYSA-N 565.029 7.305 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1c(F)cccc1Cl 1865682251 JXNDXEGFCPVZME-HXUWFJFHSA-N 521.777 6.312 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865688561 VDJCFJDBRLMWMU-HXUWFJFHSA-N 531.321 6.578 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689006 HLKUYMRDNGZASO-AREMUKBSSA-N 561.469 7.073 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865693106 HOMOCSFSQRAPSF-DEOSSOPVSA-N 517.416 6.522 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865693204 SQYHRALNSULNLR-AREMUKBSSA-N 508.578 5.151 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700764 CZJZAWVBKCBBCB-HHHXNRCGSA-N 527.024 6.202 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704269 RMLUDAQYMATAFD-SANMLTNESA-N 531.443 6.598 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707302 SWQOZFXBXFIYEB-HKBQPEDESA-N 531.704 6.745 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2ccc(OC)cc2)n1 1868253757 SETAXQFWPXLSCX-SSEXGKCCSA-N 523.662 6.143 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1873941048 UEVULFXYHHEGBX-KPIWWRQLSA-N 519.626 6.981 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066386 OWGRLXBMJDYMLW-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE CCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924585619 NTOYSTRUODLRMK-SNVBAGLBSA-N 517.906 7.082 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 1924609500 YOBKQAWGRXUPEC-VOQBNFLRSA-N 507.911 6.908 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(I)sn2)c(Br)c1 1994135057 KJMJSCBIMXNFMA-SNVBAGLBSA-N 537.840 5.757 50 10 KKGE CCCC(CBr)(CCC)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1999502738 LXOMCKKSJHYFGC-UHFFFAOYSA-N 508.542 5.319 50 10 KKGE CC(C)[C@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780204 PSSRYBMQIJDWRC-WKEGUHRASA-N 556.756 7.465 50 10 KKGE Cc1cc(C(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)c(C)n1-c1cccc(C(F)(F)F)c1 2053611423 MAGWNWAZWGDTMH-UHFFFAOYSA-N 539.351 7.925 50 10 KKGE Cc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc(CBr)c1F 2059311678 AHYSPTXAAAVAQP-UHFFFAOYSA-N 519.480 5.352 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1cc2sccc2s1 2084759248 GSQVHKGJCKTCIQ-CYBMUJFWSA-N 514.045 6.814 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccccc1I 2137654170 BGWOHBLKUMZJMX-LBPRGKRZSA-N 514.426 6.694 50 10 KKGE C[C@@H]1CCCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470574 IHFHORYKJOICQQ-LWINAJNOSA-N 582.794 7.999 50 10 KKGE CC[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141473648 RQVFBXOURCLQEU-IHPSOHBWSA-N 540.315 6.974 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Cl)c2cc(Br)c(Br)s2)c1 2172411179 BLLJHQJAJDUURW-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1Br 2199986473 FSHNSVNWDRHNAO-HOSYDEDBSA-N 549.992 8.078 50 10 KKGE COC1CC(CC[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396420 WLZYZJIURJTBGZ-AYVLWNQUSA-N 554.342 7.222 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC2(CCC2)CO1 2206397312 HUVDBPULSLWQIU-ZANVPECISA-N 552.326 6.976 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)sc1Br 2210635443 JQRTZHRZTUICTM-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2sccc2I)s1 2217983223 KMKSMVIVDDYYOR-JTQLQIEISA-N 522.065 6.198 50 10 KKGE Clc1ccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222473410 SGFGAVWJXZQXEF-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE COc1cc(F)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2226032287 IRRHSHCPEPOQOJ-VIFPVBQESA-N 537.868 6.668 50 10 KKGE CCCCCCc1ccc([C@@H](Br)c2csc(Br)c2Br)s1 2234131208 STGYWZVFKSEDLR-ZDUSSCGKSA-N 501.147 7.942 50 10 KKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(Br)c1Cl 2283556268 XJCFXHMHTKEDJX-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE Cc1cc(I)cc(C)c1OCC(=O)NN=Cc1c2ccccc2cc2ccccc12 2297708095 DKKVUDFMPINZCH-UHFFFAOYSA-N 508.359 5.744 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl 2313546022 WTPJBXYWCVIKEF-UHFFFAOYSA-N 566.883 5.946 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593318 LESAEOUEALLULI-SANMLTNESA-N 560.517 6.315 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314611095 QHUQXDJVGZGGSM-KRWDZBQOSA-N 545.437 5.701 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314617483 ZCHLHGWJKPFENP-UHFFFAOYSA-N 527.024 6.150 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314617801 BDVJVUGHDPOYRQ-RUZDIDTESA-N 554.650 6.766 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618280 KOGPDVKUZCPBNJ-RUZDIDTESA-N 554.622 5.629 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314619742 DPBYXMSJXCFHDT-UHFFFAOYSA-N 587.076 5.917 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc2ccccc12 2314634689 ZRDIDSXCECEDPJ-MUUNZHRXSA-N 513.380 6.984 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5Cl)ccc43)cc2)cc1 2314640613 DBLHZOZKIBEQBB-YTTGMZPUSA-N 583.471 7.718 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C)cc2Br)c(OC)c1 2314789712 XJMPYHZEWHNAFL-UHFFFAOYSA-N 529.431 5.354 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2316726093 MKFGGJHBXXZSBC-SSDOTTSWSA-N 521.898 5.870 50 10 KKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2331443507 WWWNCSSLPMJDJA-UHFFFAOYSA-N 525.512 8.221 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 2363883313 XMWYYYRHLAUKAL-SNVBAGLBSA-N 515.947 7.163 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Cl)cc1I 2365595228 HWIVGSUHLIUDIA-NSHDSACASA-N 573.252 7.637 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 4480140 DWOFXUKXDNLMTL-AQTBWJFISA-N 581.875 7.813 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 38660090 JDCIVDPRZVDGEI-NDEPHWFRSA-N 518.541 5.216 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678463 CEKWNOODMVUECP-XMMPIXPASA-N 503.396 6.184 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38682712 RXGJZXUSRGEQAV-MHZLTWQESA-N 504.970 5.721 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38701330 KLMDMHPQLJJQLO-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)cc5C)c(C)c43)coc2c1 40826900 SSFMWEMLOIQGJA-WEMUVCOSSA-N 518.013 6.564 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100173171 SSZSPJPLTBQBHZ-UHFFFAOYSA-N 584.536 5.790 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100206257 SOQJCGMEOYRGRD-UHFFFAOYSA-N 539.470 6.105 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212888 POTVBWVWSUPMOP-UHFFFAOYSA-N 554.510 5.317 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 100227600 SHDYUAKBZXRJLL-SLLOZXFSSA-N 555.425 5.089 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Br 100272725 BSUWJNFKZWATCQ-GOSISDBHSA-N 550.519 5.128 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 101246883 GBIYAAOBACYOEJ-KVILUOORSA-N 551.590 6.396 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101307288 KYVVJQHSKBRMQI-SANMLTNESA-N 567.425 6.403 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 101335977 YYSMUQCONXVBFZ-VFCFBJKWSA-N 554.716 6.450 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 101370356 ANLPWUNHAYCLTH-AREMUKBSSA-N 533.422 5.949 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101370551 HFVVRVAJAIKZGR-MHZLTWQESA-N 565.420 5.449 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101372227 KMGBHWSBVRJRCN-PRAQEBQASA-N 560.622 6.384 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101374474 MKXFZBBMHPDVAZ-SSEXGKCCSA-N 607.501 6.619 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380685 YYBDNPFNKNKUBQ-SGAQFYMRSA-N 552.989 6.895 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381210 TVYXYSITYGKUNB-WJOKGBTCSA-N 601.486 7.799 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383729 BESUREJESSVFDN-LSYFYCNPSA-N 574.652 7.539 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101385379 WVPOPRZOOXRLDN-PSXMRANNSA-N 582.656 7.102 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386117 ZXPGBIJZAWWFPX-QRNTTWRNSA-N 565.025 6.765 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386138 ZIXPBUAHDNIUHT-LJAQVGFWSA-N 607.877 7.672 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609907 OCNJTIPCVIQBFQ-JGRMKTMXSA-N 546.454 7.136 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCC 102935062 GNNLARTYHKBLDT-QPEQYQDCSA-N 541.729 5.196 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1 103796386 ZXSOXKHFIQSBAM-LUOAPIJWSA-N 572.209 6.029 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1 103876652 MPMRJIAFACILQL-IBBHUPRXSA-N 563.835 7.353 50 10 KKGE COc1cc([C@H](Br)c2ccc(I)cc2)c(OC)cc1Br 134301161 NTULOIYNLKDEBZ-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 150460555 RSWGLVGLSDUDBW-DEOSSOPVSA-N 628.937 6.817 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 205781718 SGNGQIWQHVJIPF-SZOXOVSESA-N 714.775 6.183 50 10 KKGE O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 252428194 TWJIPCHJNJKAHS-PYRBGSSCSA-N 549.863 7.638 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2c[nH]c3ccccc23)n1-c1ccccc1 252589105 AGYZTHDPNWBXEH-LJQANCHMSA-N 635.535 5.905 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(OCc4ccccc4Cl)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 252670763 LQOPTVCSNOBGFH-MGBGTMOVSA-N 663.586 6.326 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(OCc2ccccc2)cc1 254381991 NUENVLVMFQBXIF-UHFFFAOYSA-N 500.554 6.402 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(Br)cc3)c(OC(=O)c3ccc(Br)cc3)c2)c(Br)c1 254871698 GWDHGRJMFSMLBK-UHFFFAOYSA-N 745.218 7.250 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)[C@H]2Br 261366826 ZNFSLFRPYWKBJD-UVBJJODRSA-N 558.934 6.073 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Cl)c(Br)cc2F)c1I 300473238 VQGRTPTWBAOLFX-ZDUSSCGKSA-N 518.389 6.639 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 382256305 GGWWUCRZFUJARW-RYUDHWBXSA-N 569.446 6.270 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575626907 ACJHNDYFTFXEOF-JNQVFBMWSA-N 984.181 5.736 50 10 KKGE Brc1ccccc1C[C@H](Br)c1cc(Br)c(Br)s1 709560571 ATVJWQWGTYFQJC-VIFPVBQESA-N 503.879 6.714 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)cc1 725380930 VUQJVSWAETWNFA-UHFFFAOYSA-N 514.651 5.133 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725395629 JRBHYDPNMSLVOK-UHFFFAOYSA-N 539.963 5.103 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Cl 725403042 PIALNPUZAOWFGA-UHFFFAOYSA-N 526.084 5.834 50 10 KKGE C=CCOC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 725432147 MFAQUWFCFIPYES-ROJLCIKYSA-N 747.802 5.952 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1083891781 XUSRBEBQYVYSJX-UHFFFAOYSA-N 653.533 7.865 50 10 KKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 1083911215 VZMSGUNBKUYYNB-DHDCSXOGSA-N 570.168 5.315 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084011911 NLXZORVKTVTCRO-UHFFFAOYSA-N 602.496 5.925 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1C#N 1084016237 RVBQGMWBBBMQFD-UHFFFAOYSA-N 580.688 7.404 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1cccc2ccccc12 1084045649 JPDCPBAZTQIIBR-UHFFFAOYSA-N 634.530 7.198 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084182482 PUWJTYXJKSPQBV-UHFFFAOYSA-N 580.685 6.393 50 10 KKGE O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084216914 XRIXPKAZAMMZEB-UHFFFAOYSA-N 602.927 6.571 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1 1084227405 PLMLWQCEMLMOAW-UHFFFAOYSA-N 542.657 5.618 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1 1084250927 XGDFSXBVNOCCRH-UHFFFAOYSA-N 509.231 6.001 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 1084337252 QVSDWDLMGOYCJD-UHFFFAOYSA-N 517.585 6.653 50 10 KKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084398461 ZKOFVNQBFTXVPM-UHFFFAOYSA-N 538.417 5.838 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Br)c2C)cc1 1084426405 NXJXCJVUNPXGRC-UHFFFAOYSA-N 549.332 6.311 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084499851 CQEKAWDYIQJFGM-UHFFFAOYSA-N 513.111 5.530 50 10 KKGE CCCCOc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772755187 SSKJJAKYKRXDCU-UHFFFAOYSA-N 538.920 6.647 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1O 1865682413 NVSDMFWCKCTZLO-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865685857 NLSKCEANNMUORW-SFHVURJKSA-N 503.322 5.995 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1c(F)cccc1Cl 1865685896 ONUOKEKULZKKEX-NRFANRHFSA-N 509.343 6.402 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687341 PAIMZYYXUPJURZ-VWLOTQADSA-N 510.997 5.828 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690225 LUMLSTHEFIIMEZ-QHCPKHFHSA-N 520.486 5.886 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865691362 QAQLJHJSPVCJLK-HHHXNRCGSA-N 506.606 6.004 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)c(Cl)c1 1865694220 VZGDLBXYRBILQM-RUZDIDTESA-N 577.468 6.539 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865696212 YMLNOLJZTAVBHH-VWLOTQADSA-N 512.997 5.877 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865696654 POXZWDYXFLBXJC-GDLZYMKVSA-N 522.649 6.774 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714536 MOUHAUMXPKLIAK-NRFANRHFSA-N 530.338 5.134 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1868231542 KATOKAZNEXGAGE-HSZRJFAPSA-N 533.101 6.251 50 10 KKGE O=c1c(-c2ccc3c(c2)OCCCO3)c(C(F)(F)F)oc2cc(OCc3ccc(CCl)cc3)ccc12 1871436996 VNFHRPNMCVZSFF-UHFFFAOYSA-N 516.899 6.958 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872729122 OQEHHPZNROEOMA-NPHLBUJTSA-N 528.568 6.786 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCC(=O)N(CC)CC 1872792303 QTCNNQLCZHPGSY-XQNSMLJCSA-N 517.695 6.818 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(Br)cc(Br)c2)C1 1900368616 WVYBSTAQHIDRLP-KBPBESRZSA-N 561.052 5.151 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072705 RBSVFFQLGJOXOZ-LURJTMIESA-N 542.316 6.390 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2csc(Br)c2Br)c1Cl 1925548214 JSNVBYJWMWVVEY-SCSAIBSYSA-N 520.320 7.779 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cc(Br)sc1Br 1925568909 NQTMIEYROBXTPS-RXMQYKEDSA-N 520.320 7.732 50 10 KKGE C[C@@H]1CC[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)O1 1998140317 JXBYLFZLFCSEKY-FSDSQADBSA-N 511.899 6.429 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cnsc1Br 2055664329 SCMKSKWBOCFBFJ-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE COc1c(C(C)(C)C)cc([C@@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@@](=O)C(C)(C)C)cc1C(C)(C)C 2080781301 VLCGVEPBXGGMMZ-HPXSHJNASA-N 760.037 10.963 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@@H]21 2085494869 OACXRLAIHJSMKI-NTYJKVJMSA-N 522.300 7.063 50 10 KKGE FC(F)(CC1CC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468565 LGTMJDODIBSXPP-NSHDSACASA-N 546.269 7.452 50 10 KKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1ccc(I)c(Br)c1 2155832467 UFLRGDOLTNSABK-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE CC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2184815110 UXWWDADXOJNOOG-SECBINFHSA-N 509.435 7.523 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)c(F)c1Cl 2201618071 HPDJHJLXGZPODM-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1cc([C@H](Cl)c2cc(I)cc3c2OCC3)ccc1I 2207102226 JIXRIILUAYCIHI-HNNXBMFYSA-N 510.540 5.467 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)sn2)c(Cl)c1Cl 2217609189 WIAKNSYUKXJSJJ-MRVPVSSYSA-N 515.279 7.113 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1c(Br)sc(Br)c1Br 2226585823 LFWNVHYCLKUKKK-ZETCQYMHSA-N 560.277 7.452 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2I)c(C)c1Br 2235615936 WPBYJKNNBWYKIO-CYBMUJFWSA-N 572.904 7.112 50 10 KKGE Fc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1Br 2236111877 XBENUUBBZBDJRR-LBPRGKRZSA-N 540.342 6.562 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2cc(Br)sc2Br)c1 2265966636 FJHJFFRRWFVEFV-CYBMUJFWSA-N 531.933 7.643 50 10 KKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Br)cc1I 2269533177 DLEMJXXKQSWOGT-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)C(C#N)=Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 2295902719 YTGGDKPURAQLRO-UHFFFAOYSA-N 535.725 9.055 50 10 KKGE COc1cc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(OC)cc1Cl 2295948584 PARYWDSEMCOFEU-VWLOTQADSA-N 674.606 7.904 50 10 KKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2297624326 PWZUXGJHIXSQJW-UHFFFAOYSA-N 546.465 6.118 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491933 GYOZCZDWUICMLK-INIZCTEOSA-N 551.525 7.990 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1 2313511381 LLRJBIKPMGWRMQ-UHFFFAOYSA-N 634.255 6.583 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12 2313546047 YWBALUREVMUGBS-UHFFFAOYSA-N 503.602 5.683 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593724 RZJIVQDZKBIWNM-PMERELPUSA-N 537.729 6.895 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314616908 MQEYYLNVNMNYER-UHFFFAOYSA-N 609.752 5.639 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314618392 MSHPQUFAEHNIJK-UHFFFAOYSA-N 566.702 6.372 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 2314619012 YDMSIODDDSEZMW-UHFFFAOYSA-N 518.573 5.632 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OCC)c1 2314735746 AQSVTTBAUKKTID-UHFFFAOYSA-N 530.415 5.600 50 10 KKGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314754333 PQGJPQITMIROLO-UHFFFAOYSA-N 500.551 5.309 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1F 2331336224 VNSPSTOJLPPUTG-NSHDSACASA-N 509.784 6.634 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C(C)C 2331356170 XAQIATPCOYHHEU-UHFFFAOYSA-N 520.611 5.945 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2333303763 SHQYFAOPZQJDCW-IJEVMQKGSA-N 582.750 6.740 50 10 KKGE COc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2336082535 AVDRJYWBAJDMGB-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE Cc1sc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1C 2362239590 YMVYBORDFYDDCD-GFCCVEGCSA-N 505.472 7.475 50 10 KKGE COc1ccc(C[C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2364190967 ATZCVDFFURDEQM-JOCHJYFZSA-N 510.653 7.322 50 10 KKGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1 1777237 OMWZZRFXFLCKOY-QJOMJCCJSA-N 553.492 7.784 50 10 KKGE O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCCc2ccccc2)c(Br)c1 14669663 RECLIYXNHOMBNC-UHFFFAOYSA-N 508.199 5.452 50 10 KKGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14784141 PQNZDCCFPBIVEJ-UHFFFAOYSA-N 505.453 5.039 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 34705133 MUKZOJSVLQOFDV-SCIJIFGBSA-N 504.409 5.514 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38682788 NIGANNFSCOBBBF-RUZDIDTESA-N 509.389 6.610 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 38683883 YODYNWUMNSTQAL-GDLZYMKVSA-N 514.578 5.385 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1 38686679 WALMITQWBCJVSX-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1 59201080 ZEDCWKWSQODVEW-WQRHYEAKSA-N 516.222 7.189 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100177645 DHQVQBPGCBIODM-GFCCVEGCSA-N 556.638 5.012 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCC(C)C)cc1 100186847 IKOUCIAUMLQWDH-UHFFFAOYSA-N 550.519 5.392 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 100235976 AHTGVTGLYALPCZ-LPSZMKJGSA-N 605.529 6.943 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100236122 IGLUMQQMQCVZID-ZTCOUNKMSA-N 595.490 5.817 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100236973 DULDJSJZTIJYNY-HZPDHXFCSA-N 578.301 5.872 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1Cl 101115697 KHITWTZUXXYTTH-ATVHPVEESA-N 549.812 6.065 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245748 PCXWKXNTTRDNQJ-OKBUYZRPSA-N 552.483 6.766 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245945 RWUQZPPROZJLOG-KVILUOORSA-N 536.484 6.929 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101339840 JZQCPIYUSHBXLP-WYMPLXKRSA-N 557.002 5.839 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362444 RLUIZRRYEAIKEQ-HKBQPEDESA-N 534.568 5.477 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365387 FUELEWWHGQJIRB-NRFANRHFSA-N 516.724 5.992 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101375599 YTACEDBDALCLGT-ZWVRTZEQSA-N 598.740 7.759 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 101376976 BKWKJTRXUUNCLN-MUUNZHRXSA-N 529.549 5.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380669 RGLZIMIDSPKEDU-PMERELPUSA-N 567.529 5.515 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389793 IRQHBYZWPMWJLD-PMERELPUSA-N 621.904 8.062 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101395642 MDQXBQDUOSBRJP-PMERELPUSA-N 566.610 6.198 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396330 XKWMMXDMPVSMKY-AREMUKBSSA-N 579.505 8.070 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)cc(C)c6c5C)ccc43)cc2)cc1 101397491 GJQLFQVLZRNKLU-XIFFEERXSA-N 570.645 7.683 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2cc1C 101398517 AEYWIDRIYPTARM-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2 101619135 IKEJCDVRVZWVFV-BGABXYSRSA-N 532.597 5.229 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2Br)ccc1OCc1c(Cl)cccc1Cl 101712921 MGVGQUQZVBFNPB-KKMKTNMSSA-N 538.225 5.873 50 10 KKGE Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1 101727027 HHRAEPKRIXPPEB-CCVNUDIWSA-N 552.519 6.702 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 102348568 UFTASPHBORTCHQ-GRSHGNNSSA-N 525.786 5.634 50 10 KKGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 102842763 OQSYOQRGVANCEV-SILNSSARSA-N 511.632 5.463 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1 103739919 YQEBQVZTTRIUKO-QQMJPZKZSA-N 597.331 5.793 50 10 KKGE C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 105621795 WURFYXRTBGAEHD-FNORWQNLSA-N 567.258 5.041 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/NC(=O)Nc1ccc(Br)c2ccccc12 106083726 AMDXBSNWEXVGHV-KGENOOAVSA-N 515.367 5.017 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485852 WHFQGKGRPGGVIA-UMSFTDKQSA-N 645.539 7.907 50 10 KKGE CC(C)N(C(C)C)P(OCCCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(OC(=O)C(C)(C)C)cc2Oc2cc(OC(=O)C(C)(C)C)ccc21)OOCCC#N 150664160 LHRRVLUQZWUQKY-UHFFFAOYSA-N 859.954 9.672 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 205662121 WZSUMDKFCFQFOD-VEBTWDAUSA-N 570.689 7.709 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214257590 IXTBAINTOPKQFC-CPYLFOLBSA-N 508.622 6.109 50 10 KKGE CCOc1ccc([C@H](Br)c2cccc(C)c2I)c(Br)c1 233791844 KENOVHKZHRGHOY-HNNXBMFYSA-N 510.007 6.245 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)s1 235821881 FOLWQLNUNHNHQT-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc1cc(Br)ccc1OCC 252606501 GSWLRAOCCVDIRK-UHFFFAOYSA-N 652.428 6.730 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1OCc1ccccc1 254703498 FTNZDWMOIZSYHH-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE COc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 256022828 RSUKHEMJCQQDMW-AFAVFJNCSA-N 510.064 5.320 50 10 KKGE COCCOc1ccc([C@@H](Br)c2sccc2I)cc1Br 313002805 YYBHFGHXDATGHT-CYBMUJFWSA-N 532.035 5.625 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2Br)C1 382686646 GDLILSFAGZIPMC-MFKMUULPSA-N 500.602 5.488 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@H]3C[C@@H](Br)[C@@]2(Br)C1 504409782 ZKUCDSCKSARUCE-FULAWPOTSA-N 826.968 15.850 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721570837 BJRQHJKTDKQSHA-CQSZACIVSA-N 517.933 5.825 50 10 KKGE COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CC2 725238262 RIHSDZQBFIIOFB-NZQKXSOJSA-N 522.976 5.892 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1c(F)cccc1Cl 1083956808 PTDYYIYVYSQRQX-UHFFFAOYSA-N 548.796 5.226 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1 1083994970 QPIXPBMNJZGGMZ-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1084050472 MWTSAEFOHQKXAX-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1 1084073677 ZMESAXZICKNUAO-VWLOTQADSA-N 613.452 5.113 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl 1084087060 VUZLXBHVDMYDQS-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12 1084091339 YYRYNKLPGHVHAZ-UHFFFAOYSA-N 691.569 8.562 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1)S(=O)(=O)c1ccccc1 1084092884 ORXMWCIVLJTKOX-UHFFFAOYSA-N 596.934 6.570 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084125070 HXHXODREXHZJBI-UHFFFAOYSA-N 655.640 6.323 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084307936 SUVATPZJSPUZPL-UHFFFAOYSA-N 566.035 5.122 50 10 KKGE Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c3ccccc32)cc1 1084318593 WEXHGFZXSZEBSR-UHFFFAOYSA-N 630.768 6.860 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc(Br)cc(Br)c1O 1084445637 ZYEYJKZDLHEHQX-UHFFFAOYSA-N 609.521 6.841 50 10 KKGE CCCCCCCCCCCc1nnc(SCC(=O)NN=Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Br)cc2)n1-c1ccccc1 1084452314 NHKJDKXNPREURI-UHFFFAOYSA-N 757.759 9.106 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1Cl 1084559334 ISFXTWNKFYKTKL-LICLKQGHSA-N 536.242 7.824 50 10 KKGE N#CC1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 1088661283 OHMMJBDIFSSDMG-UKILVPOCSA-N 508.925 5.451 50 10 KKGE CCCCC[C@@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665494 OUFIJZVLVZAQTQ-PLZMWQAXSA-N 549.349 10.844 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687285 NOYJPECIKXTASB-XMMPIXPASA-N 566.967 6.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865687899 CTUCQKWONGXPRC-SANMLTNESA-N 560.576 6.704 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865688128 KDNJNLBATBEMDL-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865689286 OPTVGJNMHSMTID-FQEVSTJZSA-N 553.368 6.273 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865691196 LZUJNVGUGLMVFG-DEOSSOPVSA-N 537.458 6.129 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865691254 NWUPBVSGTCZNAO-IBGZPJMESA-N 504.871 5.526 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865694612 XSMUDBNRLUOZKM-MHZLTWQESA-N 574.603 6.763 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696216 YNJQQFPHUKMPGB-LJAQVGFWSA-N 539.079 6.951 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697453 SUGDZDOCEGCEMJ-QHCPKHFHSA-N 523.431 5.601 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705197 OKZVQJKFHSLUGU-NDEPHWFRSA-N 555.078 6.652 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(Cl)c1O 1865707240 RNVABVPZUCJLSG-INIZCTEOSA-N 529.277 5.328 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1865711139 QKSSFAHKYVLDQT-QFIPXVFZSA-N 524.905 6.628 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866994730 HRWCENQQHDTLBD-LOSJGSFVSA-N 526.489 6.672 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)n1 1868300834 IXVQFLLMVPWHOO-YTTGMZPUSA-N 560.126 8.574 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)n2)cc1 1872749576 XVTGZQNLAUGQDI-ROMGYVFFSA-N 521.554 5.593 50 10 KKGE CCOc1ccc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872756418 ZQPGNGAOUQMULU-NAGDDHGUSA-N 503.407 7.039 50 10 KKGE Cl[C@@H](c1ccc2c(c1)OCCO2)c1c(Br)sc(Br)c1Br 1924599424 HJNNRABLTSEFNF-NSHDSACASA-N 503.437 6.135 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23CCC(CC2)CC3)c1Br 1924614500 YUBDDELIPQSFKD-OILJVLCYSA-N 521.938 7.442 50 10 KKGE CC(C)[C@@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780202 PSSRYBMQIJDWRC-LHLIQPBNSA-N 556.756 7.465 50 10 KKGE C[C@H](C1CCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492616 OQSUGFJTYFMGSD-CAAJLBCPSA-N 524.316 7.453 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)Cc1ccccc1I 2145961166 LSKZJSPEYARSQY-AWEZNQCLSA-N 510.007 6.049 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206394732 IWOYEFILMLIAEP-XMCGPZFFSA-N 558.280 7.308 50 10 KKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396976 CQCPIFKKYGFCAF-IGJMFERPSA-N 596.821 8.245 50 10 KKGE Fc1cc(F)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405079 FPDQHDPQGKDHJL-ZDUSSCGKSA-N 554.248 7.343 50 10 KKGE Cn1nc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)n1 2214374701 ZRKLBLFHOANJFD-GSVOUGTGSA-N 573.728 5.411 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)ccc2I)c1C 2218790367 LJWIQTSEKQHNGO-LLVKDONJSA-N 520.455 6.870 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224323625 SJJUAKHYMGYRRW-VIFPVBQESA-N 528.318 8.026 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c(C)c1Br 2227350435 HQEPWAUQYNZEBU-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229146750 BOOGVWUOLXKNLC-VIFPVBQESA-N 552.351 7.676 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)c(C)c1Cl 2232527326 NRETXUSYGLRFQG-AWEZNQCLSA-N 528.453 7.117 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2234060451 XSBAKJULDOEONB-ZDUSSCGKSA-N 508.645 6.154 50 10 KKGE CCc1cc([C@H](Br)c2ccc(I)c(Br)c2)sc1Br 2256060305 QXZQJUMSZUAPBV-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1I 2257354403 LHYBSOMOWXAUSL-LLVKDONJSA-N 522.427 6.262 50 10 KKGE COc1ccc([C@H](Br)c2ccccc2I)cc1I 2257367208 KOFPQSTZVQINFU-AWEZNQCLSA-N 528.953 5.389 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2270458864 PGTVTFHXRZYXTN-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2270955433 AJAUKOBPDIMPQP-VIFPVBQESA-N 528.318 8.026 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2272735819 WAWSTXYTRMFXDW-SFHVURJKSA-N 547.031 7.553 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)c(Cl)c1 2288356091 PCRUQUVYZGEXIN-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCO)C[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819198 YXNUEBDKPRQSQF-GRACLOPFSA-N 701.282 13.038 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506788 FKMVNBCWJOQAKJ-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296506891 KBJZDBJWDIFTTF-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE Clc1cc(I)c([C@@H](Br)Cc2ccccc2Br)s1 2301086893 SHKBSKFPEKNQNF-VIFPVBQESA-N 506.428 6.447 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518398 APDYTCJAKKRFMQ-UHFFFAOYSA-N 560.275 7.506 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313521330 GYQHQTJMHBTWDI-UHFFFAOYSA-N 627.693 7.775 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 2313543565 NBZWMCQMTUNAKB-UHFFFAOYSA-N 613.581 7.903 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 2313567353 GDAIIYFCUGLCJX-UHFFFAOYSA-N 576.288 7.798 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N1CCOCC1 2314477975 DNMQKJHYRNZADX-UHFFFAOYSA-N 525.008 5.537 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 2314610160 DDHCTNRSIPNJJR-UHFFFAOYSA-N 500.558 5.340 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 2314640772 WZSUMDKFCFQFOD-DHUJRADRSA-N 570.689 7.709 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c(C)c1 2331309047 QKJOZXMIIHVWMU-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331362673 DQUWPIMQOBACCZ-MYYSRTQBSA-N 501.608 5.939 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(I)sn2)c1Br 2339688605 JHWZXFXAQHNJJN-LLVKDONJSA-N 537.442 5.918 50 10 KKGE CC(C)[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349777846 FQUWFIGWHWABSF-RDBSUJKOSA-N 500.056 6.432 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1I 2362237940 UCQAGAJTSXQGIT-GFCCVEGCSA-N 597.285 7.401 50 10 KKGE Cn1nc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1Cl 2362251914 CONPPCYOVKIZMS-SSDOTTSWSA-N 530.244 6.529 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc2c(cc1Br)OCC2 2364226893 SBEJCODSMTVETA-JTQLQIEISA-N 529.852 5.127 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2nc(C)sc2Br)c1Br 2365216305 STNFDKQMBLMCEY-VIFPVBQESA-N 548.920 6.540 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 2381248590 XYRHANRDTSCPOF-LBPRGKRZSA-N 503.481 6.935 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888377 BOJJXJKDJRPQMI-BSSRNLCFSA-N 566.908 5.888 50 10 KKGE COc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 10003072 KVPPGNOGLGVCAF-KBVAKVRCSA-N 514.626 5.130 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38656086 CXQBGESDRPPQRK-RUZDIDTESA-N 509.389 6.610 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1Cl 38687874 IDLQLBKIQLENCH-JOCHJYFZSA-N 511.759 5.548 50 10 KKGE O=C(NNc1ncnc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40646596 AAQMULRUPORWMK-UHFFFAOYSA-N 509.353 5.710 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1ccccc1 96585993 MKDOXTDCPADCOF-BOPFTXTBSA-N 500.860 6.132 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 100236015 JBDLJVZLWOAUNO-ABZYITTCSA-N 590.312 6.153 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1 100237632 ZMESAXZICKNUAO-APTYXWLQSA-N 613.452 5.113 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 100452338 HVEXSHPCBDOBOA-RUPVGHTCSA-N 590.268 5.483 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245654 DJHIHAQAUCWYPE-NLTRVXJZSA-N 548.462 5.831 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101339659 QGVLPIPQZLBJBO-AFUMVMLFSA-N 548.986 5.714 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101339661 GKKMTSCCXMYUDC-AFUMVMLFSA-N 603.591 5.367 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 101340849 CHAYFOGFYXKHSU-UDWIEESQSA-N 507.771 6.155 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc(OC)c1OC 101364955 BBMCOYJYJPEAJT-HSZRJFAPSA-N 527.360 5.457 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 101372078 MRPKAWDDWIAZQW-PMERELPUSA-N 546.595 5.996 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 101374458 NQPKHOXJDWIUCF-MUUNZHRXSA-N 533.024 6.745 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 101374735 TZILRHIKJVKKLF-JGCGQSQUSA-N 556.659 6.419 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 101378150 JAQBTKGBTPPIMJ-PMERELPUSA-N 547.051 6.892 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379318 KVYMWBJHOXDDKN-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382711 ZZVDYDDMBTZNBW-ICFJDMLASA-N 569.444 7.409 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384800 DYLOTUGOSZDCOO-XIFFEERXSA-N 629.540 8.579 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(C)cc1 101385270 OKHWTRQUVXDDBN-NDEPHWFRSA-N 524.598 6.082 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385344 LQKPTAUAHOPEHY-DHUJRADRSA-N 604.703 7.589 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389075 FOLSYEYMOGZPGJ-DHUJRADRSA-N 622.693 7.303 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 101393579 IAKZDLHGHQLHON-XMMPIXPASA-N 531.362 5.950 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)oc2c1C 101396458 KOJNDPLAPKATSY-LJAQVGFWSA-N 536.628 7.220 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 101766907 KAOFZDOZBFVBKO-STBIYBPSSA-N 529.862 6.553 50 10 KKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 102666266 ZIKFWPOTFPUJON-IQQNDYETSA-N 528.848 6.712 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 103877670 MXURTLXEUCWASB-JEPNHJGPSA-N 582.473 7.697 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1 103880386 WONFEUOANKGGKA-KKMKTNMSSA-N 546.190 6.440 50 10 KKGE Cl[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 138694577 PCQHHGZMQLZGQM-BWNLSPMZSA-N 559.102 6.923 50 10 KKGE in-vitro CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431613 CHEALDIUGUOTKO-SANMLTNESA-N 738.810 9.273 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 164015472 DYZYACGGNMHOAQ-ALQBTCKLSA-N 682.740 5.550 50 10 KKGE CCCCCCCCCCCCC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)C(C)(C)C)N=[N+]=[N-] 195847010 DFUOSUDIKSYZMW-NYOHYVJHSA-N 523.879 9.902 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCCC(C)C 207167760 MRUURQVDNXVMHW-SCLYWAFMSA-N 544.604 5.564 50 10 KKGE Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 209396183 UPDPMIIICICLRV-QPEQYQDCSA-N 509.362 6.747 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 214310973 PSGDVCMMYYAZQN-NTFVMDSBSA-N 529.600 5.434 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 214384758 YWBJKCYOAAMRTE-YSMPRRRNSA-N 528.568 5.369 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Br)sc2Br)c1 236067818 XZMFGILBXBPATB-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccc(OC(C)C)cc2)cc1 252626955 RJBGYHGTIGYYNO-UHFFFAOYSA-N 576.118 6.595 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br 252630189 UWRYQBCFZCRZOD-UHFFFAOYSA-N 638.832 7.602 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254353156 UTQOBDFARLENNL-UHFFFAOYSA-N 510.675 7.074 50 10 KKGE O=C(CN1c2ccccc2Sc2ccccc21)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1 254475985 YRLKPRMMQQOLQC-UHFFFAOYSA-N 507.644 6.354 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1COc1ccc([N+](=O)[O-])cc1 254523720 UZBDZHGTXSXYTI-UHFFFAOYSA-N 594.653 5.673 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254590317 ZUIMKQRGGOYOIX-UHFFFAOYSA-N 710.740 5.320 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cccc(C)c1 256028620 YJWCMAFCRBPQAT-UHFFFAOYSA-N 518.664 5.734 50 10 KKGE Cc1cn([C@@H]2C[C@H](Cl)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(O)nc1=O 306147165 UPBVZHGDVFKZMX-NXCFDTQHSA-N 502.998 5.161 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCCOCc1ccccc1)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504697700 HWHRFDRXRCBUIC-NJZAESGASA-N 731.183 11.051 50 10 KKGE in-vitro COCc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)s1 688146122 OBAGGLNPJLKRLM-LBPRGKRZSA-N 533.905 6.666 50 10 KKGE Brc1cc([C@H](Br)c2scc(Br)c2Br)c(Br)s1 705416746 AWHGILYWTLQLSZ-LURJTMIESA-N 574.777 7.344 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)O[C@@H]1CO[Si](C)(C)C(C)(C)C 1083817713 YXADDVIQROVGOJ-BMXMUORJSA-N 630.892 6.196 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)O 1083886489 FMIILKVWQVTWHR-UHFFFAOYSA-N 537.616 5.807 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 1083915951 TZHHXVKFWCDOPO-HYARGMPZSA-N 521.842 7.264 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084264546 SZHKSQJAXLPKMJ-VWLOTQADSA-N 681.365 6.394 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 1772746072 OTRBTHLMSVUKNV-UHFFFAOYSA-N 521.577 6.735 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746288 DGLXBLBUVMDIFH-UHFFFAOYSA-N 531.794 5.130 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)c(Br)c1 1772755325 BBPVWQBBVMZLBL-UHFFFAOYSA-N 509.444 6.208 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)cc1Cl 1772760534 XDLRLZCOVOVBLC-UHFFFAOYSA-N 515.422 5.700 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865687397 QITPFDAZRXRTHL-XMMPIXPASA-N 566.967 6.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865687902 CUEZWTGFOITOOG-INIZCTEOSA-N 555.738 5.629 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688233 NNCCKJRFUIVGLL-QHCPKHFHSA-N 537.458 5.586 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OCC 1865691710 ZGVWHCJHXITHGJ-GDLZYMKVSA-N 528.697 6.687 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865694068 UBUGSWPFMWFXNN-GOSISDBHSA-N 504.896 5.229 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865695784 HEWYZGXCSWOHIG-NDEPHWFRSA-N 520.633 6.725 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700671 ATDGPQKLUSJKNQ-VWLOTQADSA-N 537.834 6.938 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704877 GWAFOOBERYSJDL-MHZLTWQESA-N 520.589 5.248 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865706887 HUFFPXWWZNADOW-YTTGMZPUSA-N 567.693 6.852 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708508 AJYKFPMVNQHJGK-MUUNZHRXSA-N 578.113 5.732 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711641 DGYXOYPSEXYLHA-MHZLTWQESA-N 545.470 6.988 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866781195 OTNWIABXUNJATK-FQLXRVMXSA-N 557.622 6.132 50 10 KKGE CSCC[C@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866854445 KGXKHCHQQSPIOC-NRFANRHFSA-N 560.532 5.731 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 1867026990 PUGRNUBNKCZCKM-UIOOFZCWSA-N 583.739 5.679 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867071070 LHLGFSNRFMWSPS-RUZDIDTESA-N 558.685 5.396 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)n2)cc1 1868545369 XKKYLAZVQZHMMM-UHFFFAOYSA-N 577.714 6.931 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3Br)n2)c1 1872744572 YSYBBPGOEFVGRX-CYVLTUHYSA-N 503.374 5.557 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758960 YMBRCKUMSRKUGG-UVRAXHDWSA-N 512.418 6.620 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872758961 YMBRCKUMSRKUGG-ZTPHYQCWSA-N 512.418 6.620 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OCCC 1872818345 YBWVLMYKYWAAMD-PLRJNAJWSA-N 510.612 6.363 50 10 KKGE CC1(C)CN(c2c(CBr)ccc(Br)c2Cl)CCCN1Cc1ccccc1 1879328995 RUOCTYIVCPRWEO-UHFFFAOYSA-N 500.706 6.488 50 10 KKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915113528 KHOSWBNWVDEVKJ-CQSZACIVSA-N 506.609 5.714 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 1924616033 KADBHHKGKCHLLJ-IBCQBUCCSA-N 521.938 7.298 50 10 KKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(Oc2ccccc2)cc1 2053621318 BACKFALVKDQNTJ-UHFFFAOYSA-N 536.588 5.854 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2069535177 OOEFJWPTKXCMDU-MXGMOOAMSA-N 639.126 11.358 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)c1Br 2077424847 XAAYXCFQLZPGEH-SLOVDRIHSA-N 523.910 6.288 50 10 KKGE Cc1csc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2083333960 PUUILCHCPBSSSI-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE C[C@@H]1CC[C@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141469368 UVFNFQNBDXNZIF-XSSZXYGBSA-N 540.315 6.974 50 10 KKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2142277365 OLIYOERPRIBXBT-OAHLLOKOSA-N 514.064 6.798 50 10 KKGE CC[C@@H]1C[C@@H](Br)C[C@H](c2sc(Br)c(Br)c2Br)C1 2216419087 JNGQEWJASRUNSS-XLPZGREQSA-N 509.927 7.093 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1ccccc1Br 2225616794 QDWIQXYLKQBPQC-NSHDSACASA-N 515.840 6.792 50 10 KKGE Cc1ccc([C@H](Br)c2scc(C(F)(F)F)c2Br)cc1I 2232834720 WMFVANRVCUYTIF-JTQLQIEISA-N 539.980 6.927 50 10 KKGE CC1(C)CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234058315 PNQZEFSSOVHBQJ-IBGZPJMESA-N 511.689 6.383 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(C)ccc1I 2240994778 CDSOHQNTVZFIDL-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1C 2256334719 BPNFSQYXMVCNHR-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE COc1ccc([C@H](Br)c2ccccc2OCc2ccccc2)cc1I 2257368140 GDWRMJGEVHGJEL-NRFANRHFSA-N 509.181 6.363 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2257542241 WNSMFLUJQFTXLJ-WYDQCIBASA-N 501.487 5.186 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268273055 HQRVLPQITBTMNG-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1I 2269542782 JPKQCNFBVKZHBR-CQSZACIVSA-N 560.849 6.309 50 10 KKGE Clc1ccc(Br)cc1COc1c(CBr)ccc(Br)c1Cl 2295172405 XKZHCLGISRMXHF-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Fc1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(F)cc1Br 2295413601 HOWMEPJYVIWQLD-ZDUSSCGKSA-N 503.025 7.250 50 10 KKGE CC(=O)NC[C@H](I)CC(C)=C1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@H]1C 2297470820 KGBSGBJFEOXATN-CEBLNLJRSA-N 623.616 6.746 50 10 KKGE N#CC(=Cc1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313624339 QIYCDBAFVFLGGX-UHFFFAOYSA-N 544.405 5.435 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1 2313681062 CINDOKCEPGATNP-UHFFFAOYSA-N 545.355 6.991 50 10 KKGE C=CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397550 XGIDPZDWGDSXHH-UHFFFAOYSA-N 575.699 5.978 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2314482240 DAXOSIGLAKNIJK-UMSFTDKQSA-N 622.750 8.493 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2)cc1 2314548652 NEOKTSOWGLUUDQ-UHFFFAOYSA-N 532.577 6.608 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592351 RPCMKDQNKXXJIK-VWLOTQADSA-N 534.037 5.812 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593604 PWQMRHXURQBUGJ-HFJWLAOPSA-N 550.511 6.859 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331250967 CJLKPILWXOWZHI-GFCCVEGCSA-N 520.825 6.625 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(Br)c(OC)c1OC 2331279578 QSOAOFUUYDEZDK-UHFFFAOYSA-N 518.345 5.456 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)c2ccccc2)cc1 2331331172 VHYVHWDHJAAJBU-UHFFFAOYSA-N 508.599 7.013 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)cc1C(C)C 2331353936 OWVOSTVTYWCGFE-UHFFFAOYSA-N 515.635 6.595 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334325440 LHSKWPQARKMHTO-BSFVXNEUSA-N 580.778 7.609 50 10 KKGE Clc1cccc(C(CBr)(CBr)Cc2sccc2I)c1 2338751064 YRXFBJFZRIYOST-UHFFFAOYSA-N 534.482 6.276 50 10 KKGE CC(C)(CC(F)(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362223293 GWAGQGPUPRFCMD-JTQLQIEISA-N 505.369 7.419 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc3c(s2)CCC3)c1Br 2362229219 IRSREOAEZBDXBV-LBPRGKRZSA-N 503.456 7.039 50 10 KKGE BrCC(CBr)(CCc1ccccc1)Cc1sccc1I 2364097620 IAZPVFPEPXCQRO-UHFFFAOYSA-N 528.091 6.304 50 10 KKGE COc1cc(OCc2ccc(I)c(Br)c2)ccc1CBr 2377259726 ZWAPKVNCPZDEOM-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCCC(C)C 38660364 XJUSDPHEUVBBKK-SSEXGKCCSA-N 528.605 5.631 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 38686715 DIDWTMNWPNMKDY-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815969 HXCSRVZKZUPUGF-WGPBWIAQSA-N 509.562 5.868 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816111 DVHSHFQBPVWLFS-PARHTJLUSA-N 521.577 6.491 50 10 KKGE Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@]2(C)OO[C@]1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O 86034870 IEVJARSTOGQGJT-TYHGNQNSSA-N 654.624 5.403 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(Sc4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21 100494410 CQSISKINANYZED-UHFFFAOYSA-N 510.479 6.044 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc3cc(Cl)c(Cl)cc3nc12 100944132 WVXVEGUSNMHHIK-RPWUZVMVSA-N 548.268 5.489 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374750 SNDRPCBLMQILJQ-GHRAFVERSA-N 570.686 6.808 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1 101377779 JHUCDDRDMNJDCE-OXPRENTESA-N 543.063 7.526 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381393 VHZHRYZNUJHINB-PMERELPUSA-N 607.877 7.428 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382758 YXNLNFCPMSFJIN-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101387864 JJJIRWDHDBMNRQ-QNGWXLTQSA-N 596.683 7.492 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)CC1 101399814 FOGKRUYJDNYMLJ-QJVZXWNLSA-N 615.170 8.438 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 101711626 UMAXILBBBOLKDE-RPPGKUMJSA-N 552.650 5.973 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 101767476 DXECLYPNASXJGU-CCVNUDIWSA-N 576.285 5.891 50 10 KKGE N#C/C(=C/c1cn(CCOc2ccc(Br)cc2)c2ccccc12)c1n[nH]/c(=N\C(=O)c2ccccc2)s1 102531669 QBRLQFWIGPZPDQ-SILNSSARSA-N 570.472 6.073 50 10 KKGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1[N+](=O)[O-] 102739199 KRYFZGLHYKFDDY-WTYJXDNXSA-N 576.996 5.215 50 10 KKGE CCOC(=O)C1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 103165597 DSWHXQHNIWPNKA-DEOSSOPVSA-N 576.159 5.026 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 103797443 JYDBNOIWKXMRKO-RQXXSLPSSA-N 625.754 8.684 50 10 KKGE c1ccc(P(c2ccccc2)[C@H]2CCC[C@@H]2[C@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)cc1 115811104 UKCDADXCAXXBGR-PZMYXVABSA-N 506.610 7.590 50 10 KKGE in-vitro COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462660 WYDKQLWBTAYECR-PMERELPUSA-N 627.093 8.027 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 159847048 GLVQHFYIUJCABZ-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205778000 MRFSKLUHCNKHJS-LUJVFJMUSA-N 618.715 5.245 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214421916 UWCHXVPWNVBHRE-YKQZZPSBSA-N 590.611 5.413 50 10 KKGE Brc1cccc(C[C@@H](Br)c2cc(I)ccc2Br)c1 232476955 KZCDRGHNHZMBMU-CQSZACIVSA-N 544.850 6.495 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1 234992732 XHMWOEDNYHBTIX-NSHDSACASA-N 519.878 6.529 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)O[C@H](c2cccnc2)[P@@](=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@H]2C)cc1 245266193 JBWIQTGKLBLKDA-WVGBSVPPSA-N 650.797 9.387 50 10 KKGE CCC(=NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12)c1ccc(Br)s1 252597204 CPNASVFNPMXPAD-UHFFFAOYSA-N 524.440 6.287 50 10 KKGE CCCCC[C@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530224 OUFIJZVLVZAQTQ-OGNRXLGRSA-N 549.349 10.844 50 10 KKGE biogenic O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 254305868 RVFXUYOPEKWXOA-UHFFFAOYSA-N 568.482 5.918 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 254900661 ANKMUMPJIKVNBD-JVIQGWLESA-N 590.680 5.600 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1[S@@](C)=O 575232321 MEIKKMCUTRNHMT-OXWTZCJDSA-N 679.405 5.437 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 616590985 VVTDWWSTBCENLT-NMCXVJSYSA-N 752.933 8.437 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)s1 710906240 WTYQJCXDGGPKBF-GFCCVEGCSA-N 536.454 6.399 50 10 KKGE COc1cccc2c1CC[C@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237407 GCKXPIUQGXDWKY-XXBNENTESA-N 522.976 5.892 50 10 KKGE O=C(NC[C@@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 725238740 PFUAKLFTWXGFIE-LJAQVGFWSA-N 589.161 6.381 50 10 KKGE COc1ccc(N([C@H](C)C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)S(C)(=O)=O)cc1 725401494 NVRMSLHXYRACAF-AXUYXSKDSA-N 593.149 5.870 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818414 QXQZQDMMTWVWDX-GOXAKLKVSA-N 654.920 8.706 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2O)cc(I)c1OCc1ccc(Cl)cc1Cl 1083851554 XMZOEQYDQBQGPO-UHFFFAOYSA-N 571.198 5.655 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1 1084015444 FFSJZSACFLRUOT-AREMUKBSSA-N 643.319 6.750 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 1084155561 TWQYZNMCMTUKPE-VWLOTQADSA-N 525.443 5.699 50 10 KKGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccc(Cl)cc1 1084303239 CXZMKSRNDFIKQG-UHFFFAOYSA-N 568.649 5.922 50 10 KKGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc(Br)cc1 1084308597 ITTBOTMHLPUHFL-UHFFFAOYSA-N 571.234 5.467 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1 1084356265 NTYXLQAYRZYDLE-UHFFFAOYSA-N 578.090 5.825 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084485910 DQRKJSKOCOELMC-UHFFFAOYSA-N 523.416 7.210 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747251 MMBZLORHYWSPIY-UHFFFAOYSA-N 565.979 7.650 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)c1 1865694246 RPYLFBADCMOOCF-AREMUKBSSA-N 508.578 5.563 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865694674 ZAJIFXVAOKPRBL-HHHXNRCGSA-N 512.997 6.030 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865697461 TVELITCRNARQPZ-OAQYLSRUSA-N 516.495 5.495 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702019 KUVCGGCOCZCUCJ-HXUWFJFHSA-N 536.232 6.310 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703191 PJQJKVDXVHQHGH-SANMLTNESA-N 572.974 7.495 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(Cl)cc1Cl 1865704180 PLSFKDISEXFNMP-DEOSSOPVSA-N 533.415 6.200 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704217 QIWMGNBYSMYUCF-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706800 FYMJVKAFHPDUDV-MUUNZHRXSA-N 578.113 5.401 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866582830 BZBGDLAFHHXXRB-AREMUKBSSA-N 560.676 5.652 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868301688 UXYBHCYCRGHVDO-SANMLTNESA-N 510.642 6.401 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415259 VYLZYSVXAIHVAR-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1 1868565794 NYPPGNWGVJMTND-WJOKGBTCSA-N 542.668 7.016 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3c(F)cccc3Cl)nc2c1 1872728794 ULPHZJDVVCFYCK-GZTJUZNOSA-N 519.916 5.566 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)ccc1OCc1ccccc1 1872795102 NEVZMLZNABMBAV-KGENOOAVSA-N 514.603 6.488 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1sccc1I 1899860002 MCCPNFCEPJQACV-KRWDZBQOSA-N 519.629 7.022 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1csc(I)c1 1923049843 OLLJMKBDZUYCHE-ZCFIWIBFSA-N 532.875 6.921 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924590059 HMJIHAYEWAQZDT-QMMMGPOBSA-N 538.324 7.482 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1Br 1924614552 PHVTZQSXNHIXBY-UXCLJVHYSA-N 549.992 8.078 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2065505698 MKBDPEXOVHDCFS-UOWFLXDJSA-N 535.843 7.060 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(C2CC2)CC1 2085493212 ZHKAELKWDAUOPG-LBPRGKRZSA-N 522.300 7.207 50 10 KKGE COc1sc([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2086140037 XCBNHVMEDBFPNQ-LLVKDONJSA-N 522.427 6.215 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCn3ccnc3C2)c1Br 2108963386 UVADILHLCHSBPR-IMTBSYHQSA-N 533.909 5.931 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(F)c1I 2137654179 BISVCNIYWKBSRB-ZDUSSCGKSA-N 518.389 6.639 50 10 KKGE Cc1cc(F)c(F)cc1[C@H](Br)c1ccc(I)c(Br)c1 2139631009 YJCZCAFJKNXAOV-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC[C@@H]2C[C@H]21 2141468987 PWYQLRNXTFGOOT-FDXQJEHBSA-N 536.327 7.453 50 10 KKGE CCCCCCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477446 QHFRCGQHRRJVJE-NSHDSACASA-N 540.359 8.377 50 10 KKGE COc1cc([C@@H](Cl)c2csc(Br)c2Br)c(OC)cc1Br 2150344451 LNDXMQRFELMPDY-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE COc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1F 2168407564 XEFLMHBIDKOQGS-ZDUSSCGKSA-N 513.970 5.880 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1c(I)cc(Cl)cc1I 2173616870 XESKZUOLESOQNF-UMXXFWPTSA-N 581.457 6.270 50 10 KKGE CCc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(F)cc1F 2175390634 CBTHMKKUUHWYKA-OAHLLOKOSA-N 515.961 6.379 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(Br)c1Br 2203840212 YKTQSOGELRANQY-ZDUSSCGKSA-N 527.876 6.775 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207271105 GHUVCTOQUKGAPA-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 2240995623 IJLSWTIBJGQEGC-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE COc1ccc([C@H](Br)c2cscc2OCc2ccccc2)cc1I 2248883010 OPTKRGQJSQNRGM-IBGZPJMESA-N 515.210 6.425 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283568686 PXJBGZMEVNRQQY-CQSZACIVSA-N 550.843 6.853 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2293740311 IKXLKXPVKIXPPL-UHFFFAOYSA-N 566.912 6.526 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 2295482970 KSQKISFJKVBEAV-UHFFFAOYSA-N 547.442 6.241 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2296647820 DPIQAOOPIOOLKQ-UHFFFAOYSA-N 639.550 6.436 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1cccc(Br)c1 2296734187 PWCBJJHGZDGHAO-UHFFFAOYSA-N 503.359 5.475 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)c(I)c1 2301795767 WXRPISWXTTUBCN-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)ccc1I 2313570972 KMBIIPYTKRRYOI-UHFFFAOYSA-N 550.227 6.860 50 10 KKGE CNc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571430 WFOBCWHVNLCSLK-UHFFFAOYSA-N 598.009 5.790 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Br 2314616755 IZZXVBLQECBTSI-UHFFFAOYSA-N 593.481 6.145 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314618189 ITAWTSNEQQEAFK-UHFFFAOYSA-N 538.648 5.654 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2314643172 GCHRLYJENDSZKZ-UMSFTDKQSA-N 625.552 8.707 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646751 MEJWKUWMXLGSQG-VWLOTQADSA-N 625.106 5.118 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nscc1Br 2317399599 PGPLNDRIAHVNKH-SECBINFHSA-N 522.857 6.362 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 2331324399 UUZYCJHSEAKKTK-RUZDIDTESA-N 521.598 5.827 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 2331402966 MIGWMYVKNHFERU-AWEZNQCLSA-N 519.848 7.112 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccccc1C 2331452256 YVRDZHKGVCQPNM-UHFFFAOYSA-N 510.615 6.932 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228287 CJRNGUWZXUONOA-SCZZXKLOSA-N 513.448 5.407 50 10 KKGE Fc1cc(Cl)cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362253809 KFDXXBXZSRKQMB-NSHDSACASA-N 509.797 7.281 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1COc1ccc(C(=O)OCC(C)C)cc1 3584875 HILYUMWOZLIRCS-IPPBACCNSA-N 555.425 5.319 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)c(C)c2c1 38688551 XTPUGXBUDNOISY-GDLZYMKVSA-N 500.554 6.894 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1CSc1nc2ccccc2s1 85391467 NVRHQQGVSTXEPK-DHRITJCHSA-N 512.454 6.124 50 10 KKGE Brc1ccc2c(CNCCSSCCNCc3c[nH]c4cc(Br)ccc34)c[nH]c2c1 85594483 NXYBLHZYBABGFH-UHFFFAOYSA-N 568.404 6.435 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914943 JJYULBXSPKKBDA-AREMUKBSSA-N 521.485 5.895 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OC)c(I)c1 100185657 LQDBLKLGHPBKMB-UHFFFAOYSA-N 575.241 5.096 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 100236932 OBSUBTRYXDSGPM-ZSYYNXLFSA-N 556.015 5.589 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335854 ICIPFVUNNCMWAR-WOJGMQOQSA-N 555.328 5.333 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2cccs2)cc1 100919903 CZZDJMKHQKSLPW-HMMYKYKNSA-N 572.693 6.404 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(CC)cc1 101241504 XMCVMSPKOCYPJA-AZJLSSPBSA-N 519.976 5.650 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244285 HZLABPFQGLRZFV-OSNVHYDOSA-N 560.517 6.370 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101307481 YDADCCYWABHXTA-LJAQVGFWSA-N 536.584 6.369 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101339745 FXVFFWAUBFFGGH-MMOHFDRGSA-N 584.632 5.692 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101340827 PHUBGIRRCOJMKI-OCSSWDANSA-N 591.111 7.328 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362555 DEDYYKPKXJHSLR-XIFFEERXSA-N 560.650 6.766 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OCC 101374708 LADLXKBQAOLUCB-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101374871 NFKBAOAGRJJSBB-MUUNZHRXSA-N 577.475 6.710 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccccc1Cl 101388114 FXFXOVFEPUMCBT-XIFFEERXSA-N 613.066 6.529 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388433 JWQNSLKSKKOBCW-PMERELPUSA-N 587.459 7.408 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101393271 JZQMEJLWSWHTPT-SSEXGKCCSA-N 552.627 7.065 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 101393540 PNQZPNDJXCRVHF-QFIPXVFZSA-N 567.848 6.763 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101395327 XPDJZSORBWDWMQ-MUUNZHRXSA-N 589.113 7.878 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)c1 101396834 INZBDFCNFQUQDX-NDEPHWFRSA-N 581.496 7.789 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596906 LLLLWKMQSCNHMR-WEMUVCOSSA-N 529.980 6.462 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 101833527 KTDHUCRRXSRAQN-XSFVSMFZSA-N 591.886 5.258 50 10 KKGE CC1=C[C@H]([C@@]2(c3cc(C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)[C@H](C)[C@@H](Br)[C@H]1O 103635499 JHWIBPVPGLHJHA-RMFGFXDFSA-N 572.315 5.071 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 103649618 VKIORVMEEULHDO-NDENLUEZSA-N 544.504 7.554 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 103806263 MCQWMZKMQFAJRL-IBBHUPRXSA-N 614.064 6.574 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 103878167 QWYHSROVUVIVLP-KEIPNQJHSA-N 564.483 7.558 50 10 KKGE COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 103881018 GAJCDTUVBUUTBT-MUFRIFMGSA-N 614.281 6.592 50 10 KKGE O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)[C@@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O 105419035 SMIBGHUXYYJKFL-UXHICEINSA-N 557.194 5.538 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150441656 UZIBZWLAYWVHAV-FHXVRGHPSA-N 647.942 8.461 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1Cl 150441741 KJYAMPTZRBEKGH-AREMUKBSSA-N 755.265 9.787 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150463904 YWBUDWCHIOSEKV-MIQHZRFJSA-N 676.795 5.952 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1 164619499 RHOLMHJKWQVFOW-ZSNJKBEMSA-N 704.406 8.471 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 164646270 YYWGEIGXNKTHOI-XZYGTATASA-N 782.376 7.913 50 10 KKGE C[Si](C)(C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](C)(C)C 195879368 VYKJFPYUKSYUKT-UHFFFAOYSA-N 583.999 7.545 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 214240012 BBDYFPZANILLJI-UQQQWYQISA-N 553.619 6.019 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214304805 ITAWTSNEQQEAFK-VEILYXNESA-N 538.648 5.654 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(CNc2ccc(Br)cc2)n1C)=C\c1ccc(C(C)C)cc1 252607342 HATQZIPSWTWWEP-IWSHJJSISA-N 541.519 5.611 50 10 KKGE COc1ccccc1C=NNC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 254287276 SQGKWEUIEMWXTF-UHFFFAOYSA-N 522.634 5.284 50 10 KKGE Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 254295008 SWKFCAUBLRLCSR-UHFFFAOYSA-N 520.574 5.824 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2OCc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1 254302993 OQHMCQCETISVGU-KIPJCPDESA-N 506.558 5.657 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(CCBr)Cc2ccccc2)cc1Br 381622775 FASNTPQZAXLIAL-UHFFFAOYSA-N 526.088 5.106 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069123 HAYVDHBKYABBBI-NACSXGJHSA-N 645.174 11.764 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 1083868789 FOAHRNPYPZSVNE-UHFFFAOYSA-N 756.735 5.661 50 10 KKGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1083990405 VLUKWGVGVSEYPL-UHFFFAOYSA-N 530.628 6.631 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 1084051170 JDBMEGKGRNROSM-NDEPHWFRSA-N 734.372 6.991 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084088350 RIHNUBUBNCLKNX-UHFFFAOYSA-N 544.449 6.553 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 1084093809 YYTCKTQPHWZOKK-UHFFFAOYSA-N 545.437 5.524 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 1084196071 JMPISPHUEHZBNT-DEOSSOPVSA-N 556.413 5.299 50 10 KKGE C=CCOc1c(I)cc(I)cc1C=NNC(=O)NN=Cc1cc(I)cc(I)c1OCC=C 1084257413 OYQRCPIMTWHTNO-UHFFFAOYSA-N 882.016 5.902 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 1084473546 SUFZMKGKUWWPMF-RUZDIDTESA-N 633.324 6.325 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccccc1 1084491654 AYVLATIFHRMASU-UHFFFAOYSA-N 613.559 8.745 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1 1084546560 JOKWQYXHSTVLGR-UHFFFAOYSA-N 572.253 6.699 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084566694 NDYLHSLLXGRYET-HHHXNRCGSA-N 557.563 5.667 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653133 LFQWMIWTRSOLCQ-JQKULGJYSA-N 584.063 7.225 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCCC(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 1772720796 YMZWGEOFSLITKW-UHFFFAOYSA-N 770.792 5.337 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746090 QFNFVJYCYUBNED-UHFFFAOYSA-N 587.257 6.895 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772755058 JZGKOMDMDIWJHB-UHFFFAOYSA-N 629.045 8.345 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684004 KWJZPFUTXGEUMP-AREMUKBSSA-N 516.557 5.633 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685687 LLBCYMVSIKNTBA-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685847 NGINYPDIVCDLTJ-QFIPXVFZSA-N 504.924 5.757 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865686952 GBRNRVVRQHHVKA-PMERELPUSA-N 540.623 6.654 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689040 IKSIDQQKODNOEB-HHHXNRCGSA-N 579.459 6.745 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865689257 NXRNWVSMKLVCEN-LJAQVGFWSA-N 541.051 6.398 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865690232 MBUVWVBHVHWXSV-HHHXNRCGSA-N 543.042 7.178 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865691208 MQKDEDFCJVSUJT-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865692601 NSWCZZGWXGILQN-HSZRJFAPSA-N 555.448 5.801 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692875 PUKZXHFCIPKNEL-MHZLTWQESA-N 522.605 5.459 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701033 KCPGEVUQUSOEBX-VWLOTQADSA-N 537.834 6.938 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865704426 VODUGWXVMNBBBU-PMERELPUSA-N 575.068 7.058 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707980 LAOZTJVSGWYFDA-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1865711419 XYKOBBASJDPBKV-VWLOTQADSA-N 508.503 6.929 50 10 KKGE N#CSc1ccc(NC(=O)CCCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 1866028819 SLYLFHKIYIELCX-UHFFFAOYSA-N 680.998 6.325 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)OC(C)C)c1C 1866131606 DOFWZHRJLDKQCX-OQLLNIDSSA-N 505.390 5.107 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867085145 JKOLUOXABUAYGJ-SANMLTNESA-N 577.682 5.287 50 10 KKGE CC(C)(NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867088596 WMNRLVSNJNSNQO-UHFFFAOYSA-N 510.619 5.180 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456871 VSLDOYWYUYMHGU-VWLOTQADSA-N 551.691 7.408 50 10 KKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)co1 1899864215 QTDGYKGICHUGGO-SFHVURJKSA-N 501.012 6.868 50 10 KKGE Brc1sc(Br)c([C@H](Br)C(C2CCC2)C2CCC2)c1Br 1924595633 BTALUTCUXPYZKX-LLVKDONJSA-N 535.965 7.688 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012753 KJASBUNXPWZRDN-FKACDQICSA-N 714.752 12.441 50 10 KKGE CC(C)(C)[Si](C)(C)Nc1nc(Cl)c2c(CO)cn([C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1 2037504663 CFRVSHCYKCFJDI-ZLNRFVROSA-N 657.521 8.694 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2037569123 ACJHNDYFTFXEOF-GPKMDSLSSA-N 984.181 5.736 50 10 KKGE C[C@@H]1[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085498777 CVLALBWZMDCJKF-AKTQSMRNSA-N 576.693 7.074 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138856218 ZIOQWXXXHIRSKQ-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Fc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(F)cc1Br 2142290220 ZKSUQBFMNVJIDS-ZDUSSCGKSA-N 522.352 6.423 50 10 KKGE Cc1ccc(F)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404560 AVFOZHVMJSOOAF-CQSZACIVSA-N 550.285 7.512 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)c(C)c1Br 2235606178 BHGFUNSFPLBFBC-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 2235611355 WIEATEUSOLDXOR-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(I)cc1 2272854137 NWGHOCBOEZHERK-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2283576339 FFNZBCNYBOEYIP-CYBMUJFWSA-N 678.609 8.323 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2csc(Br)c2Br)cc1Br 2295421476 OQBZEADBTPQUCF-LLVKDONJSA-N 549.904 6.537 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1OCc1ccc(Cl)cc1Cl 2295669929 MPVQXMYQPPZMIZ-UHFFFAOYSA-N 511.361 5.898 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 2296506880 JONJLTJNRGECMC-VWLOTQADSA-N 550.511 7.401 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)sc2c1CCCC2 2296719411 NJNSRJGFEGSPHQ-UHFFFAOYSA-N 540.601 5.149 50 10 KKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2296721785 UUYDTUYTSKAQLS-UHFFFAOYSA-N 574.641 5.262 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347354 VZRUHCQWGNMLBX-UHFFFAOYSA-N 542.617 5.657 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2309957997 RXCKJGXTTQBTDH-HXFLIBJXSA-N 521.938 7.298 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 2313510898 CEKISYYQHFXVLM-UHFFFAOYSA-N 526.228 6.645 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1 2313568109 RLUXDYLBIYNFKW-UHFFFAOYSA-N 560.467 6.151 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 2314489947 UOKVUORQLCBZAF-UHFFFAOYSA-N 549.220 8.046 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592779 BNNBVQFTDPZLMB-AVRWGWEMSA-N 518.038 5.652 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593600 PVDRORIKBQSNQA-XMMPIXPASA-N 538.456 5.745 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643236 KMUKUHDICGEHTL-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 2314754184 MPXLOWIDCLIQFC-UHFFFAOYSA-N 597.668 6.382 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccoc1Br 2317394930 CSDYBNAPKAMHCA-VIFPVBQESA-N 505.801 6.499 50 10 KKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329662393 LIYFEWQCLCTPNG-UHFFFAOYSA-N 510.413 5.210 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331444223 ZOBZMZQKBIHOLZ-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336077845 LOCHEVSGYSFLTQ-IBGZPJMESA-N 516.276 5.977 50 10 KKGE C[C@]1(CBr)CC(F)(F)CN1Cc1ccc(I)c(Br)c1 2349852389 KWLBFZNNGWBPRB-GFCCVEGCSA-N 508.970 5.048 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Br)cc1Br 2360495035 YCOAMRBZXQEWAD-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1F 2364051789 SFOCHVIDDSKUGT-VIFPVBQESA-N 533.859 5.948 50 10 KKGE Brc1cc(I)cc(O[C@H]2C[C@H](Br)C23CCCCCC3)c1 2364107720 VIIRSOCBRHEJGB-GJZGRUSLSA-N 514.039 6.309 50 10 KKGE Cc1ccc(CCl)c(OCc2ccc(I)c(Br)c2)c1Br 2381130643 BTMMURZUCUMICG-UHFFFAOYSA-N 530.425 6.442 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2scc(Br)c2Cl)c1 2381258492 RXFUTZIRNPFVQX-NSHDSACASA-N 503.481 6.982 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1Cl 2244423 QFELVKJKWZCKDO-WKPXUVLXSA-N 524.045 6.867 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OCC)c3)c2C)sc2c1CCCC2 2855182 WNILFHKLQLGYAJ-RCCKNPSSSA-N 517.651 6.156 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C)c(Br)c1 14648332 VBTJVIWIVYNRCV-UHFFFAOYSA-N 512.242 5.554 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)c(C)c2cc1C 38700596 CSGKVKGFWACWQQ-XMMPIXPASA-N 502.929 6.588 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39858763 ZRUARTSYDFYEET-AQTBWJFISA-N 504.468 5.668 50 10 KKGE BrCc1ccc2ccccc2c1-c1c(C(Br)Br)ccc2ccccc12 59143273 BAQCUPOKISZLLF-UHFFFAOYSA-N 519.074 8.343 50 10 KKGE O=C(Cn1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21)Nc1ccccc1 59304767 STGOXRGKGDBNBB-CCVNUDIWSA-N 515.367 5.553 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914595 KCZLALDQGJUQGE-HHHXNRCGSA-N 505.099 5.932 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 100163921 VPVREOUCQMDVDG-UHFFFAOYSA-N 540.483 5.096 50 10 KKGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100199406 FTCLFBAYRKMZSK-UHFFFAOYSA-N 611.562 5.735 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 100335519 AJFXWHBCQJVEDC-LZYBPNLTSA-N 613.666 7.385 50 10 KKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(Cl)cc3Cl)nc12 100929361 UTFVHSHPTYBONC-XMHGGMMESA-N 601.450 5.446 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101333549 UPNKPXJCSHPJKW-BKKKIYDCSA-N 520.633 6.035 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 101338165 GFUHKZLDBGZBCZ-DFKUXCBWSA-N 556.666 6.553 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 101340061 CTBDKPYNNUBEAX-NLRVBDNBSA-N 516.638 6.236 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 101369009 LETWCUNSNGPMLN-VWLOTQADSA-N 569.839 5.931 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101373305 ORAIRQLUAAEBNT-XIHLAWMYSA-N 521.356 5.617 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374395 DPWZJIIQGQLXEP-PRAQEBQASA-N 542.632 5.883 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379003 RIWBJWCRFZRRTK-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381345 RTCWOTJQVNTSOQ-CGKQSPDFSA-N 615.513 7.726 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101396981 IKCLANYWMMSKNY-NDEPHWFRSA-N 587.470 7.510 50 10 KKGE CCOC(=O)c1sc(NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c(C(=O)OCC)c1C 101650078 LPKYCCCECAWGRE-RWPZCVJISA-N 539.610 5.153 50 10 KKGE CCN(CC)c1ccc([C@@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 101783355 PKRIWWFLUPLBBU-OOVLPZSHSA-N 603.210 5.181 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C(=O)OC)c1C 102924515 BICVFLJYNLXXRY-RCCKNPSSSA-N 535.691 7.168 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)ccc1OC(=O)c1ccccc1Cl 103569193 MOIFIZHDEGKOHE-OCSSWDANSA-N 548.020 5.574 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc2ccccc12 103879067 WFRWFSCRMKFSIF-UUFNBZTESA-N 619.765 9.076 50 10 KKGE COc1c(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)ccc2ccccc12 104994630 FYPBWCBLLOAYSJ-JVCXMKTPSA-N 528.406 5.334 50 10 KKGE COc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 105566504 BXTHIAOBKUZWMA-QQTULTPQSA-N 523.552 5.048 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 150428913 BWVQUHPHRQIMTB-KVSGHJDXSA-N 687.372 7.149 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206396567 UHJKEBVQMKLESU-ZTLZIAROSA-N 510.590 5.716 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 214376917 XOGFPVCTJVSQRW-DXJNIWACSA-N 556.666 6.737 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=Cc1cc(Br)ccc1O 252620357 MCMJLSHBIHNZJB-UHFFFAOYSA-N 529.847 5.449 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2-c2ccccc2)cc1 254752760 OOEHVWAZYKVYIH-UHFFFAOYSA-N 597.829 7.775 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)c3cccc(Cl)c3n2)cc1 254852299 TUMKZIIAMGYLEB-UHFFFAOYSA-N 603.166 8.821 50 10 KKGE CCCCC/C=C\C/C=C/CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC 256108426 KBIIPAPVKFNOGB-WMHCEHHHSA-N 611.392 11.975 50 10 KKGE Br[C@@H](c1ccccc1OCc1ccccc1)c1cc(I)cc2c1OCC2 312122960 WUQKFZBFWNFCNS-NRFANRHFSA-N 521.192 6.289 50 10 KKGE Clc1cc(I)c(Oc2ccc(CBr)cc2)c(I)c1 380819274 WXXRIKVVLLQFQV-UHFFFAOYSA-N 549.371 6.236 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3csc(I)c3)c2O1 720029182 AEPLMWOXLQHYBE-CPFSXVBKSA-N 514.020 5.923 50 10 KKGE Fc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721573395 RGNRCSZSSDJFAB-LLVKDONJSA-N 501.934 6.011 50 10 KKGE CC1(C)C[C@H](NC(=O)c2ccc(I)c(Br)c2)C[C@H](Br)C1 721619504 GYXFUIXAEZMPDB-WDEREUQCSA-N 515.027 5.126 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1 725432014 OPQZCDFKUMXYPC-JOCHJYFZSA-N 637.268 5.295 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 725436172 VQHDUBUKPIHYFU-DEOSSOPVSA-N 555.027 5.409 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1083988838 KMTALHISVKHWKD-UDWIEESQSA-N 538.387 6.763 50 10 KKGE CC(=NNC(=O)CCCCC(=O)NN=C(C)c1cccc(Br)c1)c1cccc(Br)c1 1084300280 IGAGEJXQDPLXET-UHFFFAOYSA-N 536.268 5.153 50 10 KKGE O=C(NN=Cc1ccccc1Cl)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084587454 SFRZORSKNBOPRY-UHFFFAOYSA-N 504.011 5.499 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OC)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084641936 LHVJWARGORZFDZ-UHFFFAOYSA-N 610.088 5.439 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Br)CC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537080 UKWGOBGGUGJZAH-QFJQCLQISA-N 551.719 10.118 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747590 JNESGOKPBWYOAP-UHFFFAOYSA-N 517.925 5.992 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747809 KPUAGCZSWZSZMO-UHFFFAOYSA-N 516.941 6.026 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748333 KOQSJXFJEUTHMI-UHFFFAOYSA-N 535.600 5.600 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865687936 DJSPRGCLQGHABS-HHHXNRCGSA-N 553.449 7.285 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865690214 LOPNMFCDYXTJBH-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865691400 QWDQVUOTIZKQQR-NRFANRHFSA-N 517.468 5.804 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865693645 XPXFTCAFGQAASI-GOSISDBHSA-N 525.314 5.492 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696962 MAYWHCGXTSBRKF-AREMUKBSSA-N 561.469 6.919 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865697416 RWUSOGKIBJZYOO-NRFANRHFSA-N 527.394 5.021 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccccc1C(=O)O 1865704260 RKHPIXSXYAPXCD-JOCHJYFZSA-N 500.917 5.307 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709130 OQCAEVUSOJBXPS-INIZCTEOSA-N 509.271 5.203 50 10 KKGE CSCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034277 MSHNQTPOSMPPEJ-RTWAWAEBSA-N 574.526 5.112 50 10 KKGE CC(C)c1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)CC2 1868456492 QATQBCGWDSDVOO-UMSFTDKQSA-N 571.725 8.875 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1Cl 1872755727 CCDNKJSNASRALX-PDGQHHTCSA-N 507.311 6.200 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 1872792462 AKDMMCCXLSRQKB-LICLKQGHSA-N 503.451 7.767 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)\c2ccccc2)cc1 1873920901 MFIGUXZXWISCQH-JTUAQWGLSA-N 510.615 7.259 50 10 KKGE BrCC1(N(Cc2ccccc2)Cc2cccc(Br)c2Br)CCC1 1915742628 YJQKNLAEUKUAFX-UHFFFAOYSA-N 502.088 6.531 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922891526 MAQXNSOFHWXEBN-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1sc(Br)cc1Br 1922942146 QKKNDNXTUSBHPS-SECBINFHSA-N 524.297 7.173 50 10 KKGE Brc1ccc(I)c([C@@H](Br)Cc2ccncc2Br)c1 1924053028 QECBROWQERVKQX-NSHDSACASA-N 545.838 5.890 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925566600 PAKCSAUIXDSIEC-YFKPBYRVSA-N 500.890 6.829 50 10 KKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)sc1Br 1937734184 DTTVZUNVNCELSI-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE CCCC(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946435228 TWAXRURMBGSJAF-MRVPVSSYSA-N 538.843 5.491 50 10 KKGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CC1(CBr)CCCCCC1 1999500032 DDDHJEFRKZREKQ-UHFFFAOYSA-N 506.526 5.073 50 10 KKGE COc1sc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2034629072 KGSQNWVKABVXHW-NSHDSACASA-N 519.878 6.529 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2086149880 TVWGXYXIVNJDFX-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 2107099541 VYCRLTPLEOFIMI-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(I)ccc2F)c1Br 2138870259 HRTPTQRDOKARQK-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE Clc1cc(CC[C@@H](Br)c2ccc(Br)cc2)ccc1I 2142938811 BNVNUQFRBIMQRQ-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1I 2146630721 ZIPMJMSZDNAICE-CQSZACIVSA-N 507.991 5.781 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2150493839 NFGTWGPKYIYDGH-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1c(Br)cc(Br)cc1Br 2173613986 AIUNMLGFMGOZMW-UMXXFWPTSA-N 531.908 6.695 50 10 KKGE CCc1nc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2206398030 PXABYBWSIHKQRD-JTQLQIEISA-N 632.235 7.846 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)sn1 2213488883 INGHXRNVDQEHSE-SNVBAGLBSA-N 508.830 6.054 50 10 KKGE CCc1cc([C@H](Br)Cc2ccccc2I)sc1Br 2255979897 RMOQNAQILNELAU-LLVKDONJSA-N 500.037 6.356 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268273056 HQRVLPQITBTMNG-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Cc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1I 2277958647 JFTUSVFOMUNYQS-CQSZACIVSA-N 514.426 6.647 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 2295165123 FLXLNVYEXLGAQY-UHFFFAOYSA-N 594.512 9.273 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 2297512790 XMMHJAIOHYDEJZ-UHFFFAOYSA-N 537.685 7.132 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 2313568124 RQSRYRVHUZSGRL-UHFFFAOYSA-N 590.053 5.390 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1 2313571080 MWGUHMLJQDXAHE-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2 2313571082 MZSAXMDXEYTSJR-UHFFFAOYSA-N 511.361 6.245 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591655 AOGRJVGOWOGKDW-SANMLTNESA-N 550.511 7.490 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314610367 GQJLFXMXEKZQME-UHFFFAOYSA-N 510.663 6.290 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314620793 VFXVCUVBZBOPMI-HXUWFJFHSA-N 561.041 6.309 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328835339 TUMVQFXCJNYJER-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1OC 2331244956 GJEQIPMKTQALJN-UHFFFAOYSA-N 513.531 5.166 50 10 KKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2cccc(Br)c2)cs1 2331279075 FYULSNXVUXOQAI-UHFFFAOYSA-N 509.166 6.127 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1Cl 2331399355 ACNJIRGBYACEKR-UHFFFAOYSA-N 517.950 5.811 50 10 KKGE Clc1ccc([C@@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349851950 KIIAKPBMXAYPFN-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2362222067 CIKNKAKAVKSOAQ-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE Fc1cc(CCl)c(Oc2c(I)cc(Cl)cc2I)cc1Cl 2362449499 VYPAOXIKNJIWKR-UHFFFAOYSA-N 557.355 6.873 50 10 KKGE FC(F)(F)C12CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(CO1)C2 2363911802 ZBHDKXQLFUWQMY-OUBRSPPYSA-N 519.402 6.474 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 935109 QRNWTAZWVSYATF-SCIJIFGBSA-N 522.399 5.653 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1C(c1ccc(OCc3ccccc3)cc1)=C(C#N)[C@H](N)O2 27552039 WEAKNKGBKQFKKL-AREMUKBSSA-N 513.395 5.525 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@H]1CCCO1 33378991 PMMBBBZYAGCBMG-RJQPNXBESA-N 504.590 5.320 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39842927 HJSMEIXPSKUVHM-NTEUORMPSA-N 501.873 7.715 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)c1 100425605 TZCIHUVAIDLIGC-UHFFFAOYSA-N 570.322 5.548 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 101361778 CQHCLKDJCIYTLM-IBGZPJMESA-N 614.696 7.555 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374748 SNDRPCBLMQILJQ-APYJYERMSA-N 570.686 6.808 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380891 ROSBJKAIMOBCMG-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101385363 IMPXYEMGVQTRCS-MNAQKMTRSA-N 580.612 6.313 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101389472 MBCIJFPVHMNTLM-YTTGMZPUSA-N 611.582 5.914 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl 101906949 JHKRKDDLIZLXHG-UUASQNMZSA-N 558.086 8.714 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 102685435 LTWMDDCDSVYIKO-SSZFMOIBSA-N 521.360 5.738 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105050878 GSZSBPKJJBMUBA-KPGMTVGESA-N 584.297 7.678 50 10 KKGE Brc1cc([C@H](Br)c2ccc(I)cc2)c(Br)s1 109312302 DKMBUGATBVECID-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)cc1 150455181 KNQBPFZLOTYQTP-SMPNECDNSA-N 660.752 5.096 50 10 KKGE N#C/C(=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 164733540 RSPXVDNAQGSKKR-ODLFYWEKSA-N 631.151 8.796 50 10 KKGE CC(C)(C)[C@H](O[Si](C)(C)C)[C@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195808143 GDTAMHMNSCTYMM-TWJUONSBSA-N 546.791 8.249 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@H](NC(=O)c4ccccc4)N(C)C3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 195813753 NYYLNLXPSZHDLV-WULKOTHYSA-N 780.007 7.126 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 207295825 JLMKRSZPONTSPN-YUSBXDGKSA-N 544.604 5.708 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)C1 213225019 JETCQFGXKIKFGE-ZRZWOPFXSA-N 548.672 5.900 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214306884 ZRCRDXZXRJVZTD-USHMODERSA-N 554.716 6.449 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 214358722 REPLSRJCDIHZOA-ONUIUJJFSA-N 508.647 6.186 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214425863 LWLVYCIXVAUFKN-CEUNXORHSA-N 566.658 5.510 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)c1 222413411 LTOHPFFYJMDYFK-DEQVZIQVSA-N 522.653 8.043 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 236225736 UWCDTWWNKAJYTO-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE CCc1ccccc1N=C1S/C(=C2\C(=O)N(CCCl)c3ccccc32)C(=O)N1c1ccccc1CC 252589667 AMGYWYALYGMGJQ-OXQUNKDISA-N 516.066 6.576 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(OC)c(OC)c4)n3-c3ccccc3)ccc21 252611961 IOUHNLACSSVSQY-UHFFFAOYSA-N 590.709 6.322 50 10 KKGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=C/C=C\c1ccccc1 254392284 UYPBXCHDBZLOBP-FWZCDTJJSA-N 516.031 5.201 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 254524087 KWBYLSOMHHWQKP-WDPGXEFWSA-N 595.583 5.094 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc3ccccc23)cc1 254908739 SODFUICYIQGUJS-UHFFFAOYSA-N 531.568 5.101 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(-c3ccccc3)cc1)[C@H]2Br 256022820 NCUCUESPJQMNGE-HSQYWUDLSA-N 556.136 6.978 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 263632765 TUUQUZWVNGUFJQ-DJWCVEPRSA-N 535.685 5.801 50 10 KKGE CC[C@@]1(C)[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 310663682 XQRSPMRUWHRKOO-NTZNESFSSA-N 510.968 5.724 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]34OC(=O)O[C@@H]3C(=O)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C4(C)C 504395052 IAVYJZKSOXQISM-JRQSIPHOSA-N 740.875 5.043 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)O)c(/C=N\NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)s2)c1 675032380 WGXKBHVFHKAWSE-HXGLEVQOSA-N 570.476 5.034 50 10 KKGE Fc1cccc2c1nc(CCl)n2-c1cc(I)cc(I)c1 709792968 OZJCDOIHKMUPDM-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE C[C@H](COCc1ccccc1)COc1c(Br)cc(Br)cc1CBr 719519222 FILFQSWXLFJATO-CYBMUJFWSA-N 507.060 6.338 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1 725385212 SLLWAJURIQKCRL-UHFFFAOYSA-N 593.547 5.240 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 1084075153 HZOLDRBYGVNGSI-UHFFFAOYSA-N 600.118 8.611 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1c2ccccc2cc2ccccc12 1084134126 RYMBNWIZKWDNSE-UHFFFAOYSA-N 632.531 6.230 50 10 KKGE Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084266689 RRDWQBVDJPFHOE-UHFFFAOYSA-N 574.341 5.737 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(C=NNC(=O)c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1 1084439187 QNTUEKCYHULEAH-UHFFFAOYSA-N 720.874 8.314 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccs4)c3C)sc3c2CCCC3)cc1 1084510861 YYESCQQJZRJYAX-UHFFFAOYSA-N 516.692 6.421 50 10 KKGE CC(=NNC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084654751 KPGOWFYMNZDEIJ-RLPNJSHFSA-N 536.528 7.594 50 10 KKGE CC(=O)NC[C@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2[C@@H]1C 1565535805 KGBSGBJFEOXATN-PFBFQQIPSA-N 623.616 6.746 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)CCCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720731 UCSYTBHKUMGXFH-UHFFFAOYSA-N 600.764 5.278 50 10 KKGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772755146 PPBGWSZXZOTRGM-UHFFFAOYSA-N 582.973 7.046 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686142 RVKZFOVBUYXQFW-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865690771 AQXAUPDJYPOOJN-VWLOTQADSA-N 565.512 6.442 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691893 DMLHLEVFSKKPEG-VWLOTQADSA-N 528.996 5.496 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697193 PDJDDAUYVWXSIF-MHZLTWQESA-N 540.595 5.760 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1C 1865703131 NNYQMVWRZJCVJU-LJAQVGFWSA-N 524.596 5.883 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865703493 WSVOBMODWQPJSF-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704352 UCOIGOLQYMWLDG-HKBQPEDESA-N 512.613 6.499 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705396 URYHKADPJPNMNN-MUUNZHRXSA-N 524.580 6.036 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705451 WDPJMLUUGXCZFI-SANMLTNESA-N 506.562 5.189 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(Cl)c1O 1865707241 RNVABVPZUCJLSG-MRXNPFEDSA-N 529.277 5.328 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868341827 AOGYAWKHBVVYHX-UHFFFAOYSA-N 504.729 6.810 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Cc4ccc(C(C)(C)C)cc4)CC3)n2)cc1 1868527703 GNTOUFHCFCHVQJ-UHFFFAOYSA-N 577.798 8.616 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)n2)cc1 1868544483 GUZWYUZLEXXSHS-UHFFFAOYSA-N 570.744 5.968 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)sc1Br 1916374105 GMPKQDBPOPVICH-LBPRGKRZSA-N 526.088 5.325 50 10 KKGE C1CCC([Si]23O[Si]4(OC[C@H]5CO5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)C1 1933228210 UXYKRQJKIWUKDL-YHVDKQSOSA-N 973.636 9.286 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)s1 1942100875 DEXXCEQLIYJHQL-VIFPVBQESA-N 523.935 7.144 50 10 KKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 1950600174 VIERZUYITNZRCP-CAZGOSDBSA-N 509.883 6.041 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C2(N=C=O)CC2)c1I 1951441084 JEIHVUHDSVLPIY-UHFFFAOYSA-N 652.008 5.172 50 10 KKGE C[C@@H]1C[C@@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469247 TZKJPZGOKVFLQA-FWWHASMVSA-N 540.315 6.832 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cccc(Br)c2Br)cc1Br 2202350572 FPJMXWWRFXPNFY-CQSZACIVSA-N 503.843 6.964 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2202352819 PHWIIANWEDLLSF-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE Brc1ccc([C@H](Br)Cc2nc3ccccc3s2)c(I)c1 2207269956 YJTHLHXDORCPNG-LLVKDONJSA-N 523.031 6.342 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CN(Cc2ccccc2)CCO1 2234073171 YVUQBQIVQGQVBA-HNNXBMFYSA-N 513.661 5.201 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 2235607849 HIMKEOPZGHOTFQ-AWEZNQCLSA-N 546.322 7.729 50 10 KKGE Clc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1I 2278028224 ZWOLELDVPDSRMW-ZDUSSCGKSA-N 548.490 7.468 50 10 KKGE C=C1C(=CC[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293771964 NUBKILNTQUZPAJ-SAUILVCFSA-N 661.173 11.636 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2295258370 JBGQNFJHKTXQNX-SSDOTTSWSA-N 533.454 7.753 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Cl)cc(Br)c2OC)c(Br)s1 2295365920 UWAJBKWSKUDHLY-JTQLQIEISA-N 504.469 6.377 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccccc2)cc(OC)c1OC 2296679459 KGDFKIQRQYDUCP-UHFFFAOYSA-N 564.067 5.434 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642432 DSFGYHDOOABSRG-VFJXIMMPSA-N 672.222 5.917 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OC(C)C 2313556129 NQACLBSFMQDYGJ-UHFFFAOYSA-N 543.405 5.224 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Br)cc1 2313571450 WQQZTSFTIXMTIF-UHFFFAOYSA-N 672.144 7.884 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630910 HSULSAAVMZQHRN-UHFFFAOYSA-N 506.172 7.065 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314572213 WEANEKYMLDARCS-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593298 KYCMHZVOOAEAJL-NFQMXDRXSA-N 563.645 7.132 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314619594 CGPGHZDOVHKPSZ-UHFFFAOYSA-N 610.711 5.445 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646828 QAZCLLCKCUQPKA-HHHXNRCGSA-N 618.715 5.163 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 2328799150 IOGGVJOWXIGOQF-NRFANRHFSA-N 502.011 5.167 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c2ccccc2)cc1 2331251005 GVPQXVPDOXHDMD-UHFFFAOYSA-N 519.453 8.549 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)CC1=O 2331406468 PRPFUIDVPYDVEB-FQEVSTJZSA-N 509.631 6.689 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 2331488665 NIXZSQCPJOLXSA-UHFFFAOYSA-N 524.267 7.741 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2362233242 YCSVOTXCZCQXIM-UDJQAZALSA-N 503.353 7.029 50 10 KKGE Cc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362251895 CKIHPGZAHYRIGZ-NSHDSACASA-N 505.834 7.450 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(F)cc1Cl 2363275802 SPASFTSIDOQVJK-CQSZACIVSA-N 505.472 7.502 50 10 KKGE COc1ccc(CCO[C@@]2(CBr)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1 2364694301 YTWZGRNMHAUPND-HXUWFJFHSA-N 507.263 5.181 50 10 KKGE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H](Cl)c1ccccc1 35729311 RXCLSIGWZGHOQT-RTWAWAEBSA-N 511.434 5.505 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678781 ZVAKPYPCUWJPTI-VWLOTQADSA-N 519.395 5.921 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 38681139 XRIKHEGWMYROMT-MUUNZHRXSA-N 512.562 5.486 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCC(C)C 38684120 JCQZPFKOIBJURU-MHZLTWQESA-N 500.551 5.176 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1Cl 40530249 QVOFWZIETUGHOX-VWLOTQADSA-N 523.416 6.918 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 59332948 DEJWOQHEBYECJK-PXLXIMEGSA-N 520.402 5.423 50 10 KKGE Cc1ccc([C@]2(C(F)(F)F)N=C(O)N(c3ccccc3)/C(=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 97984973 COYBCJHHDGOMHJ-FBFLEAQWSA-N 617.657 6.187 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C)cc1 100236045 VYOHRLWEOLLDBC-OTQJEQPISA-N 565.508 6.428 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cc2cc(Br)ccc2o1 100410490 HHHYTNYUBNOSFD-KKMKTNMSSA-N 546.190 6.440 50 10 KKGE C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1cccc(Br)c1 100959497 UKQGVTPXSOSJMI-SRZZPIQSSA-N 519.031 5.202 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193625 PFIBKAFGNQZGAD-IZZDOVSWSA-N 519.228 7.837 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1Cl 101336000 XXRJQIDKZQVLSL-NLRVBDNBSA-N 573.093 6.390 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 101336222 SQVOPWLDCYKGKZ-PCLIKHOPSA-N 559.066 5.999 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101336905 VYERKXMAKDQGDZ-UFFVCSGVSA-N 523.372 5.966 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101337520 IMTWDTDKFUUWNW-DKYMNTEZSA-N 570.693 7.318 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)C2=O)cc1OC 101339145 ICHKZXFEGAYKIP-OVVQPSECSA-N 623.507 6.154 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 101368738 SOUXOWIEXNYGGM-MHZLTWQESA-N 530.577 5.329 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101374929 KVOUYKRXGSPDHR-PMERELPUSA-N 597.495 7.020 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 101377991 PGTHNVIOIHUUNB-WJOKGBTCSA-N 575.105 7.509 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383255 WEXOWINWGKBSSU-LJDOSMTPSA-N 565.025 6.765 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1F 101386681 IZPANKATKOMHSR-MHZLTWQESA-N 528.561 5.912 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388555 AZAPIYFDGWPCKB-MGBGTMOVSA-N 613.066 6.529 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390117 QVFBJMGFKBTEQW-XMMPIXPASA-N 549.479 7.943 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(Br)c1 101391311 WLAYEVWDTGCAOM-FQEVSTJZSA-N 606.712 8.061 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 101395239 FTJIGCNZFMSIAC-GDLZYMKVSA-N 538.600 6.675 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2cc1C 101397659 WSMIGLRBNWKRDG-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 101398951 HIFCTQXUDXGEFD-GDLZYMKVSA-N 607.877 7.672 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 101726893 ZUZNPRNMNUPJET-CCVNUDIWSA-N 524.067 6.294 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc(C)c1-c1ccc(Br)cc1 101827494 AXISMDPNXWWWIY-DEDYPNTBSA-N 523.452 6.942 50 10 KKGE CCOC(=O)C1=c2s/c(=C/c3ccccc3Oc3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1 102399783 JKKFLXFHNIPIJV-CJFFBLHWSA-N 613.695 5.485 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 102779689 BUVYYTNPYFANLB-NDEPHWFRSA-N 549.539 6.328 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1 102780470 ZFPXTNBMEJNEAF-WJOKGBTCSA-N 573.174 6.463 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2I)c(C)n1-c1ccc(Cl)c(Cl)c1 102933328 ROHOGWPYTHBERH-YBEGLDIGSA-N 536.200 6.551 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 103730111 CEQQNTQDOXDRRG-PJJLUWSFSA-N 564.455 6.082 50 10 KKGE O=[N+]([O-])c1cccc(/N=N/N(c2cccc([N+](=O)[O-])c2)[C@@H](Br)C(Br)Br)c1 103750136 STGYDHWAXBZDQE-IWHJNQCMSA-N 551.977 5.845 50 10 KKGE Cc1ccccc1/N=C1\NC(=S)N(c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)C12CCC(C(C)(C)C)CC2 109357295 AJFREABXGPGQBX-ZSNJKBEMSA-N 620.650 8.466 50 10 KKGE Cc1ccccc1C(CBr)(CBr)Cc1ccc(I)cc1 118877033 WZXYYYPOBMAVMD-UHFFFAOYSA-N 508.035 5.870 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(C)c(Br)s2)cc1Br 128807005 JAGNMJQSGNSMJT-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485741 JCHLMETWDFXKDL-YTTGMZPUSA-N 651.930 7.745 50 10 KKGE Brc1ccc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc2c1 159681910 ZDZJJFOTEIUERB-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1 163796997 AVCRUKOJLNOZNC-QLQYKETESA-N 655.536 7.717 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12 164624744 YYRYNKLPGHVHAZ-JRZNSJKLSA-N 691.569 8.562 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1 164627915 RZJWMYGYUWEJAB-KKMKTNMSSA-N 701.096 6.747 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776974 LQUNLPPNHYDQQE-SVQVGOSPSA-N 620.756 5.568 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1cc(Br)sc1Br 236031053 NLPYUALLTBWBHQ-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE CCn1c(SCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 254290308 MSEKYFUMJAHTQL-UHFFFAOYSA-N 501.012 5.067 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(-c2ccccc2)cc1 254527927 KMNJUVWBBUKDCR-UHFFFAOYSA-N 517.658 6.542 50 10 KKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(Br)s3)c3cc(C)ccc3n2)cc1 254837566 GDXNQFDLILAQFT-UHFFFAOYSA-N 508.441 6.587 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025209 RPSDMMBNHUZTKP-IZGOWKTJSA-N 602.536 9.320 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c(F)c2)[C@@H](CI)C1 382700391 NXENQPSEEFPWAJ-JKSUJKDBSA-N 518.164 5.375 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1 721614379 OPNZQLAOHZSYAD-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE COc1ccc(N([C@@H](C)C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)S(C)(=O)=O)cc1 725401495 NVRMSLHXYRACAF-JEGXSXKCSA-N 593.149 5.870 50 10 KKGE O=C(NN=C/C(Br)=C\c1ccccc1)c1ccc(NN=C/C(Br)=C/c2ccccc2)cc1 886000342 MGXLIYUMFUEWQF-DOPMCZLISA-N 552.270 6.672 50 10 KKGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1083923288 ZBICPKRKRPIULN-UHFFFAOYSA-N 628.548 6.527 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1083973867 MBKAHQFRJBTGEF-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1083984731 SKKRYSASPYAFDY-AREMUKBSSA-N 517.582 5.265 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c1C 1084088345 PDTHVIOVMAJWJS-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1 1084142605 WRDIVSQFFRRKJX-UHFFFAOYSA-N 534.037 6.395 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084194667 CJFXZBSZERZAEW-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(F)cc1 1084397082 ZQBCJOLTOZAGMH-RGVLZGJSSA-N 542.348 5.241 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1 1084409594 ICBAFAAGXHFVKN-UHFFFAOYSA-N 593.190 6.282 50 10 KKGE COc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 1084543588 KVPPGNOGLGVCAF-UHFFFAOYSA-N 514.626 5.130 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccccc3O)cc2)c2ccc(C)cc2)cc1Br 1084556638 HCPNKFXJIFDFMI-UHFFFAOYSA-N 622.541 6.021 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084651090 MGAGDFSUQDBCFV-HHHXNRCGSA-N 596.478 6.027 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746099 BQEJFHKHUWGXJT-UHFFFAOYSA-N 532.427 7.285 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)cc5Cl)c(C)c43)coc2c1 1772752173 WVGNGXIRWVNNCK-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE Cc1ccc(P(c2ccccc2)c2ccccc2)c(Cc2cc(C)ccc2P(c2ccccc2)c2ccccc2)c1 1848434316 BJUUSJAOBPPSEC-UHFFFAOYSA-N 564.649 7.411 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686024 QIGXYOIPVLFIRE-IBGZPJMESA-N 504.215 6.112 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865693916 RXGPUCDISBBQCA-XMMPIXPASA-N 528.996 5.827 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695133 KVAVFHGJEQVPRV-SSEXGKCCSA-N 547.058 7.429 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865695444 CPVBPKWMRQPNOH-JOCHJYFZSA-N 530.522 5.885 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OC 1865696552 HGFHSPDOKVRCGX-MUUNZHRXSA-N 552.631 5.962 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703783 FPGVFZUUYMCMHQ-SANMLTNESA-N 511.025 6.657 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714518 MHMHVKWTHYLCIZ-NRFANRHFSA-N 515.397 5.132 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674894 ZPKQTDMUDXKVEK-SANMLTNESA-N 544.608 5.280 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 1867026987 PUGRNUBNKCZCKM-CLJLJLNGSA-N 583.739 5.679 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)nc(-c3ccccc3Cl)n2)cc1 1868414034 GQXJGRWOCKEHHW-HKBQPEDESA-N 564.089 8.405 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1868455880 GAOWLUKCHIQKPL-UHFFFAOYSA-N 554.695 6.363 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CCO2)cc1 1868456495 QDBXGMUOWJGMHN-AREMUKBSSA-N 511.626 6.740 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872782506 JIHDVRSVMDUTBL-CAOOACKPSA-N 516.258 6.984 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 1872791570 MRSXVPZAODOIIU-CXUHLZMHSA-N 515.429 6.451 50 10 KKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(Br)ccc3I)cc21 1925758521 XGKWGYDZUWWEJO-ABKXIKBNSA-N 507.991 6.034 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccsc2)c1Br 2025778916 AHAYYKOPGKWPBO-SECBINFHSA-N 568.748 7.282 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)s1 2029233520 UHZNUVRCVRSPKT-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1sc(-c2cccs2)nc1C 2059028245 GLFZFMYRJJPEQS-OEAKJJBVSA-N 502.668 5.196 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ncsc2Br)c1Br 2085494255 KRYGYOGBGGXSRK-QMMMGPOBSA-N 648.632 7.440 50 10 KKGE C[C@@H]1C[C@@H]1CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497170 ZBBPTFGJSRSBCG-MATHAZKKSA-N 524.316 7.453 50 10 KKGE Cn1ncc(COc2c(Br)cc(Br)cc2CBr)c1Br 2116621448 QQVVBOQFQZVSRC-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(Cl)c1Cl 2138626929 CBMSGHIXTLVLPE-MRVPVSSYSA-N 509.872 7.073 50 10 KKGE O=S1(=O)CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141478050 VWJWNORGZGZBQL-DYEAUMGKSA-N 560.327 5.451 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Cl)cc2Br)c1Br 2201078138 LWLRATFZZSIXJW-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE COC12CCC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CC1)C2 2231593551 FHAYHVYQZLYNSC-ALXWSUNGSA-N 537.937 6.821 50 10 KKGE Fc1cc(C[C@@H](Br)c2cc(Br)ccc2I)ccc1Cl 2277794704 YCFPEFQZLWIEPJ-LLVKDONJSA-N 518.389 6.525 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3scc(Br)c3Cl)cc(Br)c2O1 2279292133 JLGWVGOPBIODJN-KSBSHMNSSA-N 501.465 6.734 50 10 KKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2293202153 LCPULJRGVBTIBO-UHFFFAOYSA-N 542.532 8.326 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295276525 HBNYJEJQNKBIBD-CYBMUJFWSA-N 546.322 7.615 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(C)c(Br)s1 2295359569 IAUUDEVPNOXYKV-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458570 DNSRARIWDBTRQC-XMMPIXPASA-N 533.009 5.033 50 10 KKGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)o1 2297710565 ULIOBTCOCMVDFC-UHFFFAOYSA-N 542.611 5.663 50 10 KKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299531292 UWJNJQUPZVZELG-QGZVFWFLSA-N 595.976 8.099 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640723 RIUPCWGYKZGPIJ-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 2314643144 DTLKZUPDTFPMGL-YTTGMZPUSA-N 532.571 6.550 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2316834094 KURMVADZJBDEDU-SECBINFHSA-N 522.260 5.798 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328821200 COEBVUHNLRFLRS-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC)c(OCc4ccc(Cl)c(Cl)c4)c3)nc2c1 2331046525 MKZJXLKNAXLRAC-UHFFFAOYSA-N 536.371 6.081 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 2331335888 VWRNUONTKKKMDL-UHFFFAOYSA-N 519.804 6.607 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)ncn2C)c1Br 2337316642 GCJSUDYRXNQMAW-LLVKDONJSA-N 515.869 5.809 50 10 KKGE Clc1ccc(CC[C@H](Br)c2cccc(Br)c2)c(I)c1 2341032866 QBWDMOXEBYLPFQ-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE CC(C)(C)[C@@](C)(CBr)COc1c(I)cc(I)cc1I 2352086767 FDQZDQDBQZAAEM-AWEZNQCLSA-N 662.913 6.327 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Br)cc1I 2360438760 XUBUGNGZMISDHF-LLVKDONJSA-N 617.703 7.746 50 10 KKGE Cc1c(Br)cccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362225842 RTBBEASYDUNSMA-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Fc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362239459 YCTDPFBSUWTBKW-NSHDSACASA-N 554.248 7.390 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 2362248214 AUNHWOPWUBXYBI-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccccc2Br)c1Br 2365229687 CEQTZPZEMKUMLR-CYBMUJFWSA-N 527.876 6.775 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)cc1I 2365596502 VVSRRHFCCWEHLU-LBPRGKRZSA-N 556.797 7.076 50 10 KKGE CCn1nc(C)c(CBr)c1OCc1cc(I)ccc1Br 2367519787 MPTCCACLKMLHKP-UHFFFAOYSA-N 513.999 5.052 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14668281 VTIOVEQGDQGVHF-UHFFFAOYSA-N 511.416 5.166 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660862 UONLMSTVWCTRNK-PMERELPUSA-N 518.569 6.298 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680513 VDOREUUAZQLWCN-VWLOTQADSA-N 506.961 5.979 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40951089 BXCGVZKMDGLUTJ-WKULSOCRSA-N 504.428 6.105 50 10 KKGE Cl[C@@H]1C[C@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCCC2 97646538 OFEFWHWCLQQOTE-KGLIPLIRSA-N 501.484 7.073 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 100238113 IIBNHPTVZCXHIL-LJIZRPCSSA-N 546.620 5.094 50 10 KKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480655 HBTMOYKIRMCUGU-RAXLEYEMSA-N 542.314 5.406 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065536 PGCMZLODBAGZKP-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242076 GUWDGITZISDICP-YHECHFPNSA-N 526.445 5.891 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101338305 BFFMKFZUJMADRP-MFKUBSTISA-N 561.465 6.806 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C2=O)cc1 101339921 JADUDJNZRGEWPA-FDAWAROLSA-N 586.692 6.684 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101339962 MPEYZHUZWVTPCS-NDZAJKAJSA-N 574.706 6.842 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 101340552 RVPBUPAWRGTOEN-JVWAILMASA-N 518.548 5.479 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101372365 GLURDQASTPQMOR-KCEHZKJRSA-N 570.686 6.808 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 101376396 IRSHXTXCZXDXJC-LJAQVGFWSA-N 533.024 6.420 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Br)cc5)ccc43)c2)cc1 101381956 YDVWILAGJROGAC-WJOKGBTCSA-N 597.465 6.539 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384851 SVORKQQHHGOOPK-JJCDCTGGSA-N 605.449 7.303 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386231 YIEBEYCHYFYWPH-JGCGQSQUSA-N 597.067 6.747 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101397000 HEULGCMMVFFREO-LJAQVGFWSA-N 557.046 7.709 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccc(Cl)cc12 101397668 CIWSZPVZNIIRRO-PMERELPUSA-N 597.454 8.064 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)oc2c1 101397815 RMGZGLBPGWOJOK-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 101399365 CNFXUFFIUWMUBH-PMERELPUSA-N 603.458 7.027 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742837 IJJTXKWEZWLESD-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806556 DPVVDNSRMDNANZ-VOFJKJCTSA-N 607.758 6.846 50 10 KKGE Cc1ccc2[nH]c(/C(C#N)=C\c3c(Br)cc(Br)c(O)c3Br)nc2c1 104047697 JYVXDCMTHPEICW-UITAMQMPSA-N 511.999 5.929 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 105159695 XOMRTNVAZNOGAU-YODDIOPGSA-N 530.249 7.119 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)c2)C1 110558820 NQJVJZDNONBYCG-GNOAMTAQSA-N 562.699 6.146 50 10 KKGE COc1ccc(N2C(=O)/C(=C\Nc3ccc(C(=O)NN/C=C4/C(=O)N(c5ccc(OC)c(OC)c5)C(=O)c5ccccc54)cc3)c3ccccc3C2=O)cc1OC 150622221 CIXAYWXELMWFLY-HUMGCQOQSA-N 765.779 5.824 50 10 KKGE Oc1c2cc(CCl)cc1Sc1cc(CCl)cc(c1O)Sc1cc(CCl)cc(c1O)Sc1cc(CCl)cc(c1O)S2 161614924 GKHPKGYILZKURR-UHFFFAOYSA-N 690.544 10.382 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 164608624 PNAISDPXKYMANH-ZSNJKBEMSA-N 638.518 7.265 50 10 KKGE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 204862999 RYHLWMVBBKIGMO-DAMFMGRGSA-N 520.783 5.462 50 10 KKGE in-vitro CCOc1cc(C(=O)NN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc(OCC)c1OCC 205953150 JNVUHXAMIUBPIL-LGUFXXKBSA-N 585.686 5.452 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214272827 ZJCYXLBHJRPMGU-YKQZZPSBSA-N 542.639 6.367 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214336123 PJQQHUFVIMTCJE-HEFLVWMHSA-N 542.639 6.600 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(F)cc2I)c(Br)c1 233791578 DQKFFPDOHBIFQG-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE Clc1cccc(C[C@@H](Br)c2cc(I)ccc2Br)c1 236065380 NEQKONWXZJQVNK-CQSZACIVSA-N 500.399 6.386 50 10 KKGE O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 252598695 DCBFEYWOIPTXKW-UHFFFAOYSA-N 525.612 5.675 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc4ccccc4c3)n2-c2ccc(OC)cc2)cc1 254289218 GIYZQFBUIWKLQQ-UHFFFAOYSA-N 537.645 5.737 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2OCc2ccccc2)ccc1OC(=O)/C=C\c1ccccc1 254302996 OQHMCQCETISVGU-XHKWQZABSA-N 506.558 5.657 50 10 KKGE O=C(NN=C[C@@H]1C[C@H]2C[C@H]1[C@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@](F)(C(F)(F)F)C4(F)F)cc2)cc1 254468095 UPUXRHBPMMZVJF-ZNBSRBBBSA-N 742.561 8.034 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OCc1ccccc1 254572826 VLHYXZJUSMMLDX-UHFFFAOYSA-N 536.657 5.915 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254751680 FNMDZGMYCAXJNQ-UHFFFAOYSA-N 566.783 8.635 50 10 KKGE CCc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256019405 ZJMZCVZRCHTWIO-JEBQAFNWSA-N 508.092 5.873 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 310872483 METGWNVZUQGIAL-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 312862090 NGOMJVAWYNETGT-CQSZACIVSA-N 530.958 5.812 50 10 KKGE C=C(C)[C@@H]1CC[C@]2(N=C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 642771792 CWKKIZCMKSXJOQ-LCYMYPGXSA-N 569.830 9.212 50 10 KKGE COCc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)s1 721607592 CCMKWWORNMJMRR-GFCCVEGCSA-N 536.454 6.352 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725399514 WPDDQCVMMAZCRE-NKGGCWJSSA-N 690.063 7.665 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 725441006 YRCKUOCQZRJONA-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1 1083930866 OAOBZXMHJTURIN-UHFFFAOYSA-N 564.807 5.695 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1084003339 ILXVWLJTVKWVGR-UHFFFAOYSA-N 576.889 6.637 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084014635 QUKXTFQVRHTUBY-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc2ccccc2o1 1084039611 HTNWWKPPJXAHLV-UHFFFAOYSA-N 508.188 7.389 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084205647 UKPBNHREEVKLJZ-UHFFFAOYSA-N 652.545 7.655 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084329661 FDJCJJABYHIJEL-UHFFFAOYSA-N 613.262 6.937 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084499383 AYTGZYCIWOPHBP-UHFFFAOYSA-N 661.544 6.259 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1084638976 QYZNZMHRNRSVKI-UHFFFAOYSA-N 518.400 6.589 50 10 KKGE C[C@H](CCC(=O)N/N=C/c1ccc(N(C)C)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1085889452 OUDVPVUVMCWGFP-KNKUDKHESA-N 537.789 5.610 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773624 UHCDRCBBCZLXBO-IMFAICKZSA-N 641.186 12.671 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744321 VPQHNNFVANROLB-UHFFFAOYSA-N 592.231 5.678 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(Br)c6cccnc56)c(C)c43)coc2c1 1772751993 PIFFZMRAVUCWMX-UHFFFAOYSA-N 600.469 6.880 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)ccc1O 1865681803 XGASOMHJZPKSBD-XMMPIXPASA-N 516.960 5.713 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686437 WBCBVXCFQKIYMR-XMMPIXPASA-N 517.416 6.440 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1865688511 UEFXGTKENCFRBQ-YTTGMZPUSA-N 556.666 7.092 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865688524 UIZMCGYDSVTEBT-IBGZPJMESA-N 515.795 5.173 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698299 PPYRHKXZVRMWJP-OAQYLSRUSA-N 509.418 6.193 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865704773 DIVBFIAGQIWEFD-LJQANCHMSA-N 506.887 5.748 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711800 IHMBGLQZVQKTHU-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)n1 1868253879 WYXUYADGLQQYDP-UHFFFAOYSA-N 515.727 6.739 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)nc(-c3cccnc3)n2)cc1 1868566369 YQUYHPGLJVJQKE-UHFFFAOYSA-N 523.622 6.223 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872790204 RQYWBMIUETZNPO-WOJGMQOQSA-N 507.398 7.409 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CCl)C(C)C)cc1Br 1915273226 ZTCPNCOUIBWFAB-GOSISDBHSA-N 523.718 5.974 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(Br)c2Cl)c1Br 1922897104 LDZHTNZQWRACTJ-SECBINFHSA-N 538.324 7.482 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1Br 1924039576 KZBPTANZPFQFIL-RMLUDKJBSA-N 512.865 6.609 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1csc(Br)c1Br 1924063325 PCTYMSCOLWXMFO-LDWIPMOCSA-N 518.894 6.670 50 10 KKGE Brc1cccnc1C[C@H](Br)c1csc(Br)c1Br 1924877426 FBFSNYLNTZZTED-QMMMGPOBSA-N 504.867 6.109 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC(CC3CC3)C2)c1Br 2050215646 KGKGDRWCEOJVSQ-KTOWXAHTSA-N 521.938 7.298 50 10 KKGE CCC[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494599 MSWMQNQMKXTTCK-DDZXGWPLSA-N 524.316 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCOC2)c1Br 2085494613 MVHFFXUSFCZSQZ-QUBYGPBYSA-N 570.739 6.599 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085495677 RVOUJBSNKSXYDU-VIFPVBQESA-N 647.644 8.045 50 10 KKGE Cc1ccoc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496458 WTOJFBSAYHUSRS-LLVKDONJSA-N 566.707 7.122 50 10 KKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 2116581611 VLUVZCNSNZTVMZ-ZETCQYMHSA-N 505.419 7.438 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]32)c1Br 2141472028 ZAZLLKYXRAXQDO-XSPKLOCKSA-N 580.778 7.609 50 10 KKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@@H]1Br 2172539596 LGAOYCVZSUPXFJ-SMDDNHRTSA-N 515.027 5.222 50 10 KKGE COC1(C(F)(F)F)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2182019727 LSYISGRDTLDLCW-SIPCTPOTSA-N 521.418 6.720 50 10 KKGE FC1(F)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2216422279 VGZFJSGCEPGPCK-VHWMUFPASA-N 517.853 6.702 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1I 2256337229 QYHKUPQHDBOYQG-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)co1 2260070171 NLFFFCIFKUVNNL-SECBINFHSA-N 509.764 6.330 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)ccc2Br)c1 2277898272 VOZLRGWCDVVSEF-CQSZACIVSA-N 576.746 7.415 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295279305 MMUWCEWWLCKJIR-NSHDSACASA-N 550.285 7.445 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Br)c1 2300952807 ALZDWCFGCCARKW-NSHDSACASA-N 506.428 6.561 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cccc(Br)c1Br 2303546921 LQRUIMODJNVXOG-CQSZACIVSA-N 520.059 5.312 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521359 IUCAHYQEBGUNRT-UHFFFAOYSA-N 522.355 5.168 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 2313567237 FAYDQWHARWRSJM-UHFFFAOYSA-N 623.288 7.640 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313571032 LUWZLMTVXQHTOR-UHFFFAOYSA-N 624.218 6.639 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1Cl 2313571200 PPXOCANCNYXWDN-UHFFFAOYSA-N 527.835 7.509 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2313571287 RKYISVWNEUURFV-UHFFFAOYSA-N 556.660 8.087 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314618532 PEJHHPLKYIPHEQ-NRFANRHFSA-N 563.455 6.655 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 2314634089 LASDARMJHPCKPV-HKBQPEDESA-N 534.999 6.756 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 2314634657 UIIKJODVICQXKA-DEOSSOPVSA-N 532.210 7.137 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 2314640741 UXGKEQYPHABODP-YTTGMZPUSA-N 514.581 6.411 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643113 BTHOOLCGNBZXRK-YTTGMZPUSA-N 668.360 8.725 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cocc2Br)c1Br 2315451746 SUPDFAXPLUAMGH-SECBINFHSA-N 526.219 6.844 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 2331339281 UWQLBGOOWQLABD-HXUWFJFHSA-N 509.587 5.986 50 10 KKGE COC(=O)c1c(NC(=O)C(=Cc2ccc(OC)c(OC)c2)c2ccccc2)sc(C(C)=CC#N)c1C 2331560235 JBLXKSNESXVLMU-UHFFFAOYSA-N 502.592 5.967 50 10 KKGE COC1(C(F)F)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2343014245 PTCPBMYJQXQNEX-CTPQFPNMSA-N 503.428 6.423 50 10 KKGE Cc1c([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc(Cl)c1Cl 2364404526 XPSNFHLUSPTOOW-ZDUSSCGKSA-N 501.871 7.506 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sc(C)c(C)c1Br 2365235767 MTNQUCRBSLMONJ-GFCCVEGCSA-N 505.472 7.428 50 10 KKGE COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(Br)c1 3081118 LIBQIWUAKPSPCS-FOKLQQMPSA-N 508.166 5.009 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 38650917 RUPFELFTSNDXAT-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 38660172 HRDHWOUDKGTLOQ-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)cc1 38681585 XKDVLSARPBPVBZ-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 38686323 CMTONYIQHLYWLZ-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 39858790 IEGMJZFJSRAMBP-AQTBWJFISA-N 504.468 5.668 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-])c1cccc2ccccc12 40658729 VFMAKWKZGJHUBC-UHFFFAOYSA-N 502.840 5.711 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812649 LGXVFZDETKMXMC-MHTZHOPKSA-N 526.036 6.554 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1 40927374 SZLPHLCELUAKCU-HAVVHWLPSA-N 502.636 6.879 50 10 KKGE Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1Cl 59148664 WGFLBHSBFJVYBP-BYNJWEBRSA-N 502.785 5.401 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1)NNC(=O)c1ccc(OCc2ccccc2)cc1 100141399 VLRQLTAAHWTMCG-UHFFFAOYSA-N 636.749 5.798 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 101115665 NBRKYUIIQNMFEX-CYVLTUHYSA-N 528.952 5.171 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242419 XOPFJCDKRCXQHV-SJCFVWOQSA-N 515.635 5.544 50 10 KKGE CC(C)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101243243 INFFHFSXRAXTPR-ZXPCUAHUSA-N 537.729 7.237 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246637 OCOSJSAOIMGGTP-GOHCDNDPSA-N 520.010 5.422 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101333470 IFPSYVYJLFGRQY-KOEQRZSOSA-N 543.465 6.474 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101337450 ZEWLUFBNNCGDPT-VKMIRQPFSA-N 526.640 6.818 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C2=O)cc1OC 101339276 GXMSLISPEBNZRG-ZOCNZVAZSA-N 614.702 6.023 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101367699 VINQVZFOMBBPBQ-NDEPHWFRSA-N 560.603 5.337 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101368300 VDORJTIFTWFFKX-MHZLTWQESA-N 529.549 5.466 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101372061 OHDBFQQRYYBHFN-SSEXGKCCSA-N 563.050 6.510 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 101372259 LJBLOSGPUCAGRN-YTTGMZPUSA-N 548.639 7.245 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373623 YBCSLOOAXOBGMJ-DIRGTLEOSA-N 552.671 7.009 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374013 CMRVBTYAOLHWMG-SLQAJWMNSA-N 546.595 5.994 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101375302 KITVWWIIEZXCRW-HKBQPEDESA-N 577.077 6.900 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1 101377864 CDUROYRKDOQNGK-MUUNZHRXSA-N 527.577 6.381 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379131 SJUOBGOPSSPYFR-UTYPGMGESA-N 591.107 8.053 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381608 IWXLAELNCRWZAC-FQUAKNSKSA-N 530.580 6.111 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383328 XYOPIJHWYYTDEB-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385766 BSIOLQIAWUXGQT-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101387870 YCESZKZSSNZLOD-DHUJRADRSA-N 582.656 7.563 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388704 XGXOICNHKDXDQX-UUWRZZSWSA-N 611.094 7.083 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389484 BMKGHWBGNYWBQI-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101393157 CRBGZKRYBGTIPA-AREMUKBSSA-N 609.531 8.223 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101394251 REVXFKZYUPQSRQ-GDLZYMKVSA-N 538.600 6.538 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1C 101727481 VQKXRDJHZAANLJ-VVEOGCPPSA-N 616.990 7.364 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OCC 101869992 CDSLDNBLVZTKAX-CIWDHGNMSA-N 532.036 7.609 50 10 KKGE CCN(CC)S(=O)(=O)c1cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1C 103049863 VRHLXIFTMOYJJK-JCMHNJIXSA-N 569.525 5.741 50 10 KKGE Cn1/c(=N/NC(=O)c2ccc(Oc3ccc(C(=O)N/N=c4\sc5ccccc5n4C)cc3)cc2)sc2ccccc21 103468347 KFERIGRJPGFUEJ-YIVISXGPSA-N 580.695 5.077 50 10 KKGE Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103726107 BZIIRBPBJUGQAO-YOIUXKKVSA-N 562.286 5.075 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 103742629 JGGFWUDCQZHTAG-SCIJIFGBSA-N 522.399 5.653 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150470526 YRFJAHRKSRZHOE-OAQYLSRUSA-N 656.733 7.730 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)NNC(=O)COc1ccc(Cl)cc1Cl 150646321 WKHQMIXWJCJKIK-KEBDBYFISA-N 621.395 6.288 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 163311681 RRYGMULGVBETOD-KJRGEGHNSA-N 636.386 5.952 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 164642756 PRUHXFZETPJHLS-KKMKTNMSSA-N 650.223 6.060 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206396087 JBGPGEJEXIXWIH-YHBIKVOXSA-N 568.670 6.505 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 206737473 LGHMFLWAWBSZOK-PLRJNAJWSA-N 564.638 6.212 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 214311327 IMWAPRGMYANQJN-YSMPRRRNSA-N 547.590 5.655 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214364075 LDYRXXKKPPIKQH-VEILYXNESA-N 534.660 6.560 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 252462473 SODLDYWNYKXNBZ-UHFFFAOYSA-N 502.618 6.545 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C/c2ccccc2)cc1 252607308 GZYJQDOVYJGLBX-ONBWLUDKSA-N 545.481 5.842 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(COc4ccc(Br)cc4)o3)o2)cc1 252629010 TWTLDZQFSGZOJJ-UHFFFAOYSA-N 537.366 5.822 50 10 KKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1)c1ccccc1 252634584 WOPLKVKDJOTTRI-QHCPKHFHSA-N 619.143 5.326 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C(C)C)cc2)cc1OC 254288048 LGAIRHVGZHUVOX-UHFFFAOYSA-N 526.589 5.729 50 10 KKGE COc1ccc(CC(=O)NN=C2C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccc(Br)cc32)cc1OC 263632701 DHGCIWZTSZPNOT-UHFFFAOYSA-N 627.539 5.536 50 10 KKGE Br[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 309690518 CTKLYOLUBMYRCT-GGJJTXTCSA-N 589.526 7.037 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2Cl)C1 382695597 QWRHFQWTULWBTJ-ZWNOBZJWSA-N 500.602 5.488 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586780 HODUUTHQNQITGS-FSNNUDCPSA-N 779.062 9.261 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1OC 705465739 RECDWADPHFSIDF-NSHDSACASA-N 505.453 6.428 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)sc2Br)c(C)c1Br 724915140 OAKNXPJCWMOCPV-VIFPVBQESA-N 523.935 7.198 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 725422748 ALPSREMJHWZIFW-VWLOTQADSA-N 525.443 5.699 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083816844 YUZLCBDCWPRCMA-RBJZLCEDSA-N 620.771 6.056 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cc2ccccc2o1 1084047143 ZVTLRGVSHOQDEB-UHFFFAOYSA-N 516.000 7.975 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 1084309260 XGOKBHLAGPTYNO-XMMPIXPASA-N 559.432 5.538 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 1084347832 NZCKHWDSWOQPLY-XMMPIXPASA-N 525.443 5.699 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084349053 XXIKPWKDHAERRR-UHFFFAOYSA-N 604.798 6.177 50 10 KKGE CC(C)[Si](OCc1ccc(NC(=O)c2ccc(F)cc2)c(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C 1614015208 DZZHEGABSVLUDT-UHFFFAOYSA-N 573.942 10.324 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773607 DIMYHZDULFSWLS-QMLYNDIUSA-N 641.142 11.150 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc(C)c1Cl 1772746448 USIOKLRWIOWAGE-UHFFFAOYSA-N 529.818 6.310 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N=[N+]=[N-] 1848357766 KQJXHZRKNUECLZ-SJMVVMQFSA-N 601.902 6.130 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865691454 SGHNBGBJCJDZAP-JOCHJYFZSA-N 557.876 6.256 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865696422 MFYRSPHDRQATAH-MUUNZHRXSA-N 555.078 7.379 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710887 KTAMWVCVBMRDMY-XMMPIXPASA-N 517.416 6.440 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711082 PGHRLKAYQROZDN-NRFANRHFSA-N 537.339 6.539 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867003622 IPPKQAQZIMPUTH-WDYNHAJCSA-N 576.118 6.478 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CCS2)cc1 1868433124 FKTFBGBJIMNUGC-RUZDIDTESA-N 546.121 7.417 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1OC 1872745370 KEZFAJYOXGHHEE-OBZJLHOISA-N 521.820 6.503 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OCC)c1OCC 1872746765 XBOPQCSXEKYGQG-PYCFMQQDSA-N 515.429 6.719 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872791135 XUSJYNQAVSPAOT-SRZZPIQSSA-N 521.469 8.386 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C12CC3CC(CC(C3)C1)C2 1923071507 JEVRYXKMFIEKER-HLJMMJMFSA-N 503.525 7.579 50 10 KKGE CC(C)(C)O[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568690 KFCJFMFEXCFCML-BKPPORCPSA-N 539.953 7.065 50 10 KKGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(I)ccc1Br 1924874402 BGOUXOQYMYLLOG-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE Clc1nc(Cl)n(-c2ccc(I)c(Br)c2)c1CBr 2006647306 HGAJRQCZUGLTPE-UHFFFAOYSA-N 510.782 5.441 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)n1 2010564190 RYNLTGKOLWWCEB-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 2030222686 RRIXKHZRHIRAQI-CYBMUJFWSA-N 520.455 6.768 50 10 KKGE COc1ccc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)cc1 2080747807 SDKABLKXTUENDF-GERKYKROSA-N 515.659 5.937 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@H]2CCC[C@H]12 2085495592 LOLAZLZTNOBEOX-BIOYQXMXSA-N 522.300 7.063 50 10 KKGE C[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085496407 WJXBGMYNHFOYMG-ZQEGFCFDSA-N 538.221 7.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23CC(CO2)C3)c1Br 2085498256 NDFJHIIWATUBIZ-JTIOZCSCSA-N 568.723 6.352 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@H](Br)c1cc(I)ccc1Br 2137071725 UDWMLERXXJAEJY-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE CCc1ccsc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477694 SSJFXTSKCAQRCJ-LBPRGKRZSA-N 552.351 7.689 50 10 KKGE Cl[C@H](c1ccccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2141478736 ZLQNCZQPULXTLE-CYBMUJFWSA-N 597.164 7.827 50 10 KKGE O=C1Cc2cc([C@H](Br)c3csc(Br)c3Br)c(Br)cc2N1 2150344054 BGKHSKAXKCZLFL-NSHDSACASA-N 544.888 6.015 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(I)c(Br)c2)c1Br 2201066373 ZRUFFXHCMXMDFN-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE Cc1cc(Br)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406262 XHUINOWDSCLVEU-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Cc1sc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1C 2221838794 UGGJOPOHDPLXMV-SSDOTTSWSA-N 513.929 7.743 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225635352 VAPQJLMBFAAHAV-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE CCc1cc([C@H](Br)c2csc(Br)c2Br)sc1Br 2247999491 FQFTUTGQMSBYIL-MRVPVSSYSA-N 523.935 7.144 50 10 KKGE FC(F)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2257858194 CFTJNQLORZYWCI-HBPOCXIASA-N 531.880 7.153 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2270960288 KNPCCBCKWJTUCX-SECBINFHSA-N 572.769 8.135 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC=Cc2ccc(Br)cc2)cc1 2293972459 WEIZIVHHXIMECA-UHFFFAOYSA-N 517.427 5.101 50 10 KKGE C[C@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2295196144 XSLCAMPVVCGIBH-NYHFZMIOSA-N 522.270 6.937 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCOCC1 2296706020 MOJYSTBUHZHGEQ-UHFFFAOYSA-N 525.008 5.537 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1 2313545708 AAOXVDOSRHFBRV-UHFFFAOYSA-N 580.910 6.336 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313557171 WAFYCTSQAAFIRK-UHFFFAOYSA-N 604.302 6.409 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 2313567270 FXTCTXQYXVOHJG-UHFFFAOYSA-N 535.394 6.010 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570603 AXPKIBBAOAFZCD-UHFFFAOYSA-N 599.255 7.876 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1sccc1I 2313747073 VKBNCQLNWAGFCB-JTQLQIEISA-N 500.385 6.889 50 10 KKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 2314433909 XDEDFQUIOOKVMN-SFHVURJKSA-N 554.469 7.596 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314455232 MXJCIVLFZJKAQN-FQEVSTJZSA-N 576.041 7.256 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2314476371 NMESZBCGSHMZKD-UHFFFAOYSA-N 581.119 5.562 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(Cl)cc1 2314476622 RWCGAWLEJKVDJC-UHFFFAOYSA-N 504.055 6.332 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)cc1 2314478456 MJKJNXBQZPPPIK-UHFFFAOYSA-N 507.597 7.367 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314500342 MOUAHEZGJZZENS-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617240 UKDSMGAUNRHQAN-UHFFFAOYSA-N 517.412 6.673 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(C)=C(C#N)C1=O 2314618488 OKNNGVODHHGUCY-UHFFFAOYSA-N 502.574 5.321 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 2314619539 AUARKSZGVRTNHG-UHFFFAOYSA-N 591.111 7.473 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634780 KRYZKQVTUZQOSA-LJAQVGFWSA-N 515.009 6.602 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643181 GJKVHQNSCNRAHM-DHUJRADRSA-N 604.678 7.548 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)OCc2ccccc2)c1C 2329663797 RROKSHDWCZFTLV-UHFFFAOYSA-N 553.434 5.898 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCCN1CCOCC1 2331416277 BTOILSVBADOWPX-UHFFFAOYSA-N 501.652 5.473 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)n2)cc1 2331431507 OGPKJSAERLFKNP-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCCC)c(OC)c3)n2)cc1 2331460629 NEJFRCNCLFDDPD-UHFFFAOYSA-N 518.723 8.801 50 10 KKGE CC[C@@](C)(C(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336612546 GLFWZFPVNWCHSU-CMPLNLGQSA-N 592.736 7.854 50 10 KKGE C[C@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CCCC1 2349850121 GVYMOBMQHXTNQQ-NSHDSACASA-N 501.044 5.582 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(I)c(Br)c1 2360496581 IDKGCSWRWNZWQX-LLVKDONJSA-N 617.703 7.746 50 10 KKGE Cc1sc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1C 2362232783 RVPPUKYINRJQBC-NSHDSACASA-N 570.341 7.929 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Br 2362254088 KWXGQNWEFRVIBA-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)sc2Br)c(OC)cc1Cl 2363542532 UONFRFIWAORVKW-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(F)cccc1Br 2365178047 GWVISOZEXFIVGJ-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790681 HPOXYCAUIFFSFQ-FNBPXTNNSA-N 528.848 6.712 50 10 KKGE COc1cc(-c2cc(C(=O)NN=Cc3cc(Br)ccc3O)n[nH]2)ccc1OCc1ccc(C)cc1 2364738 VAFXYKOLQYTLQG-UHFFFAOYSA-N 535.398 5.205 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)cc2)sc(C)c1C 6167370 AZATWZADXBMBPV-PQUNFVABSA-N 613.736 6.599 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cccc(OC)c3)cc2)sc2c1CC[C@H](C)C2 6167534 FGTJFHGIDQSLQL-KTPSFDRQSA-N 563.676 5.228 50 10 KKGE O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1 6445695 JASJDTCBMZNUBV-YMNDLRCVSA-N 549.958 7.560 50 10 KKGE COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2OC)c(OC)c1OC 33445002 IUEXOXZVBXMOFN-INJZMFEXSA-N 520.582 5.067 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 33928627 MAAVIBOHYOJHJH-LYBHJNIJSA-N 510.667 5.741 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 38650574 KUGMNLMVLICBDJ-PMERELPUSA-N 502.570 6.041 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc2ccccc12 38657699 MPULYIYZATWIRL-HHHXNRCGSA-N 517.368 6.349 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 40529991 LORUKWIKEIUQJW-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(O)cc3)CCC4)ccc21 40812024 AUEZSOSMJLVEOL-IWBSIUBASA-N 520.589 6.144 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813557 GZNNIOPVQZYHRR-STKMKYKTSA-N 505.496 6.483 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 58893763 ALPSREMJHWZIFW-PVYGGJOHSA-N 525.443 5.699 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1 100238207 PZORYNYPCOWNJA-WRIMGEDOSA-N 588.442 5.241 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101231073 TYCOBEKKWKQFAI-RDRPBHBLSA-N 544.586 6.036 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244541 UIQUPJVROWUOCG-RAMZYJDASA-N 570.036 7.547 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101366935 OGVBQNCKYWJIIR-DEOSSOPVSA-N 521.367 5.294 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101367002 VHULAZNXZLFDHE-VWLOTQADSA-N 555.414 6.237 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101370820 DOJYZLXEPYRKLW-VWLOTQADSA-N 535.940 5.483 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382659 QIDGYCNIJYVKHJ-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383619 GZMIDCUUIPERTP-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 101512540 GIWNNCDMQQLMOV-ZDLGFXPLSA-N 522.311 5.180 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(Br)c1 101767583 YGQXVXQTXWXQHR-AMVVHIIESA-N 580.306 6.825 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12 102932914 JAATZMMGVPLHOP-WQRHYEAKSA-N 606.816 6.937 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 102933457 HOHQTGPVKSYQTI-XMHGGMMESA-N 542.345 6.275 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O 103879760 MQERKGPOHMQHNM-GZIVZEMBSA-N 561.024 5.589 50 10 KKGE O=C(N/N=C(/C=C(\c1ccccc1)[C@@H]1CCc2ccccc2/C1=N\NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 106870531 OULXLBVDBASTIQ-YRADLXMYSA-N 588.711 7.301 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 128877626 FAYNOIFOXOIGHB-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1 150429413 QDZYAMXKGJJURG-POBUXNOSSA-N 667.338 6.004 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 150442758 FSCSYFGDEFYIKH-UOUHTQAHSA-N 631.487 7.947 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214333802 DMAGDWRAJXWKJD-APYOZOMWSA-N 512.613 6.510 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214384240 LLTUEFCIMNKKTR-YSMPRRRNSA-N 544.567 5.069 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 214394954 CLWZPDVEVQIHTJ-GXBUFBABSA-N 624.672 7.058 50 10 KKGE N#C/C(=C/N1CCC(Cc2ccccc2)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216489448 WVFXZZYWUFENDH-ZXPTYKNPSA-N 504.678 5.282 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCc1ccc(C)cc1 254843821 QQXQMJLYFIIBMQ-UHFFFAOYSA-N 552.656 5.480 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2I)C1 382726737 QUAYKKUQKHAXLJ-GXFFZTMASA-N 547.602 5.330 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1scc(Br)c1Br 705448084 PNLKOZKLTLSJKY-LLVKDONJSA-N 533.905 6.919 50 10 KKGE Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)ccc1Br 1083860631 NYWMMHGKSKLPJK-GZTJUZNOSA-N 503.227 7.018 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 1083910194 ZRCCIYIAHFRFCB-NDEPHWFRSA-N 551.470 7.088 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1 1083911767 KUOMIPIAICYUFE-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)o2)cc1 1084047312 XATAEEOCMWKMDP-UHFFFAOYSA-N 535.735 8.324 50 10 KKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cccc([N+](=O)[O-])c1 1084086373 IOAQIRSOGNRGDI-UHFFFAOYSA-N 521.165 5.192 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1cccc(Br)c1 1084092405 KHKTZVWJXUOCAQ-UHFFFAOYSA-N 535.305 6.003 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1cccc2ccccc12 1084095288 CMNSLBZADMSULH-UHFFFAOYSA-N 550.396 6.186 50 10 KKGE CN(c1ccccc1)c1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084270246 FBXLLTCEKUWNIA-UHFFFAOYSA-N 547.722 7.964 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084300226 MLAYGUUACFDJRR-UHFFFAOYSA-N 688.541 7.559 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084445414 SCUYXIVNOJIPAW-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1 1084540837 MPMRJIAFACILQL-UHFFFAOYSA-N 563.835 7.353 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084610524 RPQNNJRLRLGAJX-SFQUDFHCSA-N 549.195 6.723 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084616177 HJQGPCZESSEXHF-HSZRJFAPSA-N 556.413 5.299 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OCC 1865687491 SHXZSPLNHZEIGC-SANMLTNESA-N 504.606 5.819 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865691107 JJCZJZOSDOGDTG-SANMLTNESA-N 508.553 5.529 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865692218 CVDKQPBRTRZQAP-AREMUKBSSA-N 522.605 5.623 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865696908 TYBMYWWGFZXGIL-QHCPKHFHSA-N 542.558 6.086 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1cc(Br)cc(Br)c1O 1865700855 GCRDOJNEDIJSHQ-OAHLLOKOSA-N 570.163 5.399 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701520 XJMJSSVQLHKZFS-AREMUKBSSA-N 551.861 6.997 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701553 YDALQZFZVAKETD-SANMLTNESA-N 565.888 7.582 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702022 KVRBWNUTEIQLLV-NRFANRHFSA-N 518.346 5.063 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865702856 GWOMFOFBIAJJTG-IBGZPJMESA-N 506.887 5.750 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865702986 KELIHKDCMRUYQX-RUZDIDTESA-N 547.442 6.862 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706490 XWAIOSLNMYLLTA-GDLZYMKVSA-N 534.660 6.225 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865710978 MYEBBERDOFMLOB-RUZDIDTESA-N 528.996 5.496 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c(C)o1 1866671869 AWXOTQHKASDTEN-SANMLTNESA-N 512.591 5.271 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866753031 SLNQTSVVXYVOBM-VSGBNLITSA-N 547.652 5.820 50 10 KKGE CC(C)[C@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866758690 YNBUKQMWDYFINR-RRPNLBNLSA-N 552.165 7.100 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCCc2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867123960 JZQTXBFFZUCKRH-SANMLTNESA-N 536.053 5.527 50 10 KKGE CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867195456 XEJPTTMXQSRQDI-MUUNZHRXSA-N 510.623 5.384 50 10 KKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)c2ccccc21 1868414068 HMNTWRAQDQVGNS-UHFFFAOYSA-N 513.070 7.480 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432966 CLIFJKFGZLWGRO-OAQYLSRUSA-N 576.147 6.804 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872790590 SDPXPMNSLAJVDU-UDWIEESQSA-N 507.442 8.077 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872792064 CDALDFCOOBYQNN-XDHOZWIPSA-N 511.485 7.732 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2Cc3ccccc32)c1Br 1924585495 MGZNBFGQHDCGMR-SCZZXKLOSA-N 515.890 6.812 50 10 KKGE Brc1cccc(C[C@H](Br)c2ccc(Br)cc2I)c1 2086144947 GVTXHEXDOXYYQI-ZDUSSCGKSA-N 544.850 6.495 50 10 KKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1ccc(Br)cc1I 2142277088 LKWGPQWWSDEILP-CYBMUJFWSA-N 532.466 7.083 50 10 KKGE ClCc1nc2cncc(Br)c2n1-c1ccc(I)cc1Br 2151789854 KAMRRKZQQJQBIO-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1Br 2203004950 XENXRUZGTYXFMA-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)cc(C)c1Br 2220199812 HPUHJMLJDDLCEH-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Brc1sc([C@H]2C[C@H](Br)CC3(CCC3)C2)c(Br)c1Br 2222471966 BGMYASZEIUDQSY-YUMQZZPRSA-N 521.938 7.237 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)sc2Br)c(F)c1Br 2227803733 BXXBFKAMFOMZHU-QMMMGPOBSA-N 543.822 6.937 50 10 KKGE CCCC(CBr)(CCC)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2227923639 XHHMYAFJBXEJJF-UHFFFAOYSA-N 534.580 5.758 50 10 KKGE CCn1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2232516797 MNNNIUMWMPLUDS-VIFPVBQESA-N 526.281 6.873 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)c(C)c1Br 2235607640 GKDPGQRZCIPLJZ-CQSZACIVSA-N 525.904 7.270 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277959308 QWGMGOOGOYHLQG-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE CN(Cc1ccc(I)cc1)c1c(CBr)ccc(Br)c1Cl 2280335495 CDVQIJFJKGAAKJ-UHFFFAOYSA-N 529.441 6.238 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293198272 OYAFBGSNTVUHOM-HSZRJFAPSA-N 542.875 6.389 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)c(OC)c1 2294918913 VWEPMLJCOIJWPV-LLVKDONJSA-N 505.453 6.428 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 2295459794 YXSLGGCIXOGEIO-UHFFFAOYSA-N 515.780 6.558 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)C(=Cc3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1 2295523553 KLOFLLTVDBGJHR-UHFFFAOYSA-N 550.615 5.111 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2297491195 VACHKHUPROVDCR-UHFFFAOYSA-N 518.356 7.179 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4ccc(C(F)(F)F)cc4)c3C)sc3c2CCCC3)cc1 2313564917 GHTFISWPZMDFFH-UHFFFAOYSA-N 559.657 8.678 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 2313738669 NNLCNTJIIOGEHJ-UHFFFAOYSA-N 500.904 6.882 50 10 KKGE Brc1ccccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503946 XVTSAGBPFNDVOS-FQEVSTJZSA-N 525.078 7.469 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2314533155 PEAWSJSHEFSXTM-UHFFFAOYSA-N 545.304 6.358 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592290 PXRRLQBKBXLUCM-XMMPIXPASA-N 504.011 5.804 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593689 RCOOGAKPEDUXBG-NRFANRHFSA-N 519.976 5.704 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314610806 MMKDHCMATZTFFY-HSZRJFAPSA-N 536.676 6.663 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314617965 DUJJKLUOZHEVGD-UHFFFAOYSA-N 557.654 6.070 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 2314634496 ZTSHCKCXEVONGN-QHCPKHFHSA-N 515.755 6.623 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 2314640698 OLVIERPQOPCPIL-HKBQPEDESA-N 603.889 8.063 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)C=Cc1ccc(OC(C)C)c(OC)c1 2314774630 YQEGFUZWODOHKJ-UHFFFAOYSA-N 503.982 6.827 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C)c1-c1ccc(Br)cc1 2329699346 HSFDZRJMGSALSM-UHFFFAOYSA-N 560.267 6.581 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)nc(O)c2cc1OC 2331044522 XQYHOOLYEHLRTC-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(F)cc2F)cs1 2331292868 PRUASRONOVDSIC-UHFFFAOYSA-N 511.775 7.156 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)c2ccccc2)cc1 2331331954 MFZJCGLLMBIGOZ-UHFFFAOYSA-N 506.671 8.540 50 10 KKGE Cc1nc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337087800 DFHOPYAEFSOXAG-MRVPVSSYSA-N 512.851 6.860 50 10 KKGE BrC[C@H](Cc1ccc(I)c(Br)c1)C1CCCCCC1 2349850103 GSXMVMZQTYFMDB-AWEZNQCLSA-N 500.056 6.578 50 10 KKGE CC1CCC(CI)(OCc2cc(I)ccc2Cl)CC1 2352249708 RURZFPHJJMJZAV-UHFFFAOYSA-N 504.577 5.845 50 10 KKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(I)c(Br)c2)[C@H]1Br 2377262710 BHAIRLDPKSLTQH-SWLSCSKDSA-N 514.083 6.822 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br 14640793 VYUZTELPNBCONS-UHFFFAOYSA-N 504.425 5.078 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 20615870 AWDOAEHJBGZQLE-UZWMFBFFSA-N 502.634 5.218 50 10 KKGE CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1 33355998 VRESEZXBDHULQI-NQCQHTAVSA-N 590.035 5.232 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1OC 38658923 WJORUZUEBOQYHR-RUZDIDTESA-N 520.969 5.177 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 38685150 RLSNXUYMEKUKGB-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38700816 HVNZOLGUIIBWLY-MHZLTWQESA-N 512.537 6.497 50 10 KKGE O=C(c1cc(Cl)sc1Cl)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(F)cc2s1 39714149 CUFKUDYJAQBWEN-QPSGOUHRSA-N 501.373 6.454 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 59680024 HRTOYJONZZKGDL-GOJREDGKSA-N 522.652 7.528 50 10 KKGE COc1ccccc1CN(C(=O)CCl)[C@H](C(=O)NC1CCCCCC1)c1ccc(OC(C)C)c(OC)c1 97914905 QWZQLIQRCHGCFO-NDEPHWFRSA-N 531.093 5.639 50 10 KKGE O=C(NC1CCCCC1)[C@@H](c1cccc(Br)c1)N(CCc1ccc(Cl)cc1)C(=O)CCl 97915138 ZPRUMFGTIXQTID-HSZRJFAPSA-N 526.302 5.903 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 100236455 GWAHCULMZMMFHM-TZMKENEKSA-N 555.469 5.789 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1 100237664 LLUQFKCHWQZGPJ-ABZYITTCSA-N 592.861 5.886 50 10 KKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100261288 UJNJXRQBKXBQAB-AUUYWEPGSA-N 556.295 5.417 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065532 XMKFEGGOPSCNNI-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244520 LYEFGRTZZOHZIE-RAMZYJDASA-N 536.484 7.182 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245628 HVZITCSIQTZPJC-DXTZOESMSA-N 538.456 6.375 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101333584 UGIDODVOHRUFSO-WEMUVCOSSA-N 570.693 7.291 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101337137 HSAUFVOZURJUOQ-IOUPCVQUSA-N 605.094 6.543 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101339697 VDMCLHLALHGTRJ-IYAOEYEUSA-N 570.605 5.384 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339728 RQCRPHISKNIHAP-OGLMXYFKSA-N 588.689 6.563 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101365286 BYSKXQJLGKVDAM-JOCHJYFZSA-N 550.225 7.136 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCCC(C)C 101368209 PLGZEGAAHSQSSJ-HHHXNRCGSA-N 563.448 6.320 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 101376644 JMPZUHUOQZQCMQ-LJQANCHMSA-N 614.696 7.555 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383641 VNMZIBTUWPBAHK-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101385794 RCALUVHGQFUHEJ-KKIUXKEOSA-N 601.030 6.658 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387800 GMSNCDHLGCAPPN-UUWRZZSWSA-N 590.676 7.199 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387992 NFJXEVOFYJBDKY-XIFFEERXSA-N 581.068 6.992 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(Br)c1 101391303 QJOZYWFZENVMCL-FQEVSTJZSA-N 572.267 7.408 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c(OC)c1 101392185 ITMNAPACEQDGBG-QFIPXVFZSA-N 553.423 6.663 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101394901 MDWHUMSOOSDRGL-NRFANRHFSA-N 539.465 7.367 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)c(C)c2cc1Cl 101398132 MSMLXTJRLUAPKB-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccccc12 101398790 XCCIZLDTNPMLES-SSEXGKCCSA-N 546.554 6.897 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494253 SOLXEUULPSESEK-UHFFFAOYSA-N 524.459 5.302 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612360 TWECKQFLWAFLNZ-FADJLKOXSA-N 612.897 7.828 50 10 KKGE COC(=O)c1c(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)sc2c1CCCC2 101632317 ICCDZXVHHXECPN-HZPDHXFCSA-N 501.240 5.252 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2c(c1)OCO2 103878799 FMPOJBYKWYJLLJ-QLQYKETESA-N 573.649 6.923 50 10 KKGE CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103879341 OXVOYTKTNSBLEE-PGGKNCGUSA-N 558.610 5.317 50 10 KKGE CCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccc(C)c1 105053650 LCZTWZDJTZZLIR-JJNGWGCYSA-N 514.758 8.779 50 10 KKGE O=C(NCc1ccc(C(=O)N(NC(=O)c2cccc(Cl)c2Cl)C(=O)c2cccc(Cl)c2Cl)cc1)c1cccc(Cl)c1Cl 150420973 DUYRDFCUDAODPJ-UHFFFAOYSA-N 684.190 8.165 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 150460268 MUJOXRGACXIILZ-XKLDMDDMSA-N 662.768 5.643 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150481708 HVTVVXIEFZPZMX-JOCHJYFZSA-N 656.777 8.725 50 10 KKGE ClCc1csc(COc2c(I)cc(I)cc2I)n1 156070580 HHQBAJYYTHBAHW-UHFFFAOYSA-N 617.415 5.275 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1C#N 164627620 XDQUCLSWOXUMBD-VFLNYLIXSA-N 630.236 6.023 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 214218384 MKWMUDQWFBPSGV-ITYLOYPMSA-N 510.663 6.434 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 214402807 LHUMPYROLVPWTD-JDCMOKTRSA-N 649.773 5.413 50 10 KKGE Clc1cccc(COc2c(Br)cc(CBr)cc2Br)c1Cl 236064446 PCURGKRZPQJQAF-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CCOc1ccccc1-c1cc(C(=O)NN=C(C)c2cccc(NC(=O)c3ccc(Br)o3)c2)c2ccccc2n1 252602715 FJUGIAJLGLOBQT-UHFFFAOYSA-N 597.469 7.062 50 10 KKGE C#CCOc1ccc(Br)cc1C=NNC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 252611724 IMHDPERLNVXWSR-FQEVSTJZSA-N 544.243 5.685 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc(OC)c1O 254698307 WCIUURDENPBZBD-UHFFFAOYSA-N 545.665 5.197 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 254838721 UQWRPPGHTUPPAM-UHFFFAOYSA-N 505.401 6.915 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)c(Cl)c2)C1 382686882 KWQNVCIDPCEGJZ-HOTGVXAUSA-N 534.619 5.890 50 10 KKGE CCOC(C)(C)ON=C1[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H]1C 602966408 SFTHBPKNOPSKEE-PRWXDXEOSA-N 993.479 7.734 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 642880661 GPLFLRPEMRRWIR-UTZPQXNGSA-N 898.131 9.843 50 10 KKGE COCc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)s1 688086591 ONTLAHLLMFRRND-LBPRGKRZSA-N 536.454 6.352 50 10 KKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc(OCc2ccc(Br)cc2)cc1 725421258 CMZNMFHFAKOAHK-UHFFFAOYSA-N 565.467 7.524 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccccc1 1083946869 DMJIHZOFMQOUJD-UHFFFAOYSA-N 544.677 5.147 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1083962940 FYGZECRGQGTDKZ-UHFFFAOYSA-N 510.406 5.029 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 1084150562 GQEWXGXGQMEKFV-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C)cc1 1084225898 JVZXANGQWIVYEN-LFVJCYFKSA-N 502.014 5.492 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084623885 MSEJZGIBUBSBIV-AREMUKBSSA-N 541.475 6.664 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084632341 AVXKIPNNDWRTKL-UHFFFAOYSA-N 532.065 6.198 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747298 MSSJIWYBSUAWOW-UHFFFAOYSA-N 532.427 7.285 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865687951 DWLREMBSGCKHIC-QHCPKHFHSA-N 577.866 6.337 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688503 UCFNHHNCJHTYFN-OAQYLSRUSA-N 527.394 5.108 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865693775 YTJPHRJLIRKCMQ-XMMPIXPASA-N 565.512 6.764 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865695234 AGFQUFANUMIFJO-AREMUKBSSA-N 500.643 6.392 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696472 NOWPDOFKGTZSKH-AREMUKBSSA-N 565.427 6.387 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865697010 NFDCAFBPXYWBKF-GDLZYMKVSA-N 534.660 6.621 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699006 IILNZBCGNMSYRQ-AREMUKBSSA-N 505.553 5.456 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1cc(Br)ccc1F 1865702372 UKGLHZDDCDALKZ-INIZCTEOSA-N 511.248 5.209 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865703128 NNFPTOGXTMYJFZ-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703702 ZUCAYKABKAYOSP-RUZDIDTESA-N 503.389 6.285 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OC(=O)c1ccccc1 1865704797 FCHHLGLOEVFBJE-LJAQVGFWSA-N 554.606 6.044 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Cl)c(O)c(OC)c2)cc1 1865707432 WZRUAQGBDRWJQP-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)/C(C)=C/c2ccccc2Cl)C(=O)Nc2ccc(SC#N)cc2)cc1 1866817652 KGMGMFVELLEOFH-BUVIUBTMSA-N 534.037 5.608 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2nc(C(C)(C)C)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866873385 SWAYDSCAIOYPJH-DEOSSOPVSA-N 555.660 5.110 50 10 KKGE CSCC[C@@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866883362 LBVZEEZRUGQBLI-JOCHJYFZSA-N 516.648 5.867 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866917002 AKFCERGUAPKTGD-SXOMAYOGSA-N 548.709 5.420 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868389514 WYEKKXAMOOXZME-PMERELPUSA-N 505.691 7.633 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868415299 XHEOXAFUCMPIGQ-UHFFFAOYSA-N 576.147 6.804 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565130 IQGFATLIRFKGPL-HKBQPEDESA-N 542.668 7.016 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)\c2ccccc2)cc1OC 1872747252 UUWKDDGMEBBCKX-BJGRWJNTSA-N 511.559 6.769 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915073598 HOMTYVKSYINPJN-LBPRGKRZSA-N 501.693 5.528 50 10 KKGE Brc1ccc(C[C@H](Br)c2sc(Br)cc2Br)cc1 1922944020 XJDFHEYTNYXUBA-VIFPVBQESA-N 503.879 6.714 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066437 PMEDZKJFYAWVJW-SECBINFHSA-N 538.324 7.482 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1950754073 IXCQEFQTXNAOMB-KUCRYNDESA-N 521.816 6.670 50 10 KKGE C[C@@H]1C[C@@]1(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025784368 UOHFLQZBCNQXRL-REAJZDTOSA-N 514.252 6.765 50 10 KKGE ClCc1ncccc1Oc1c(I)cc(Cl)cc1I 2029332424 RIODGIFZYMEDOK-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE FC1(F)C[C@]1(Br)COc1c(Br)cc(CBr)cc1Br 2082491788 FOVKCGXCROUOHF-JTQLQIEISA-N 513.796 5.658 50 10 KKGE Cc1occc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495140 HVJGRCRUPCNPES-LBPRGKRZSA-N 522.256 6.966 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)CC(F)(F)F 2123255202 UPAUNRDHWIWRND-UHFFFAOYSA-N 519.152 5.236 50 10 KKGE CC1(C)CC(C)([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472488 DXPUBBJMCCEIIT-LBPRGKRZSA-N 582.794 7.999 50 10 KKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(I)ccc21 2193247075 URSUGNAWPJNLPG-CRAIPNDOSA-N 501.746 5.318 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400495 RIQWFYMIEJFAMT-NSHDSACASA-N 676.060 8.637 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(C)c(I)c2)cc1Br 2232833873 FROBUHYTMYLPMD-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(C)c(I)c2)sc1Br 2255980292 OAVPWOHVJBHUJL-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)o1 2259998353 CJELCXLIRLLUCN-SECBINFHSA-N 509.764 6.330 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(Br)c1Cl 2283556267 XJCFXHMHTKEDJX-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE Fc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1I 2288497134 PNQLSJDZOHWIAQ-JTQLQIEISA-N 584.793 6.718 50 10 KKGE CC(C=Cc1ccccc1)=NNC(=O)COc1c(Br)cc(Br)cc1Br 2297451083 FRDZBURSCHXTIR-UHFFFAOYSA-N 531.042 5.558 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570793 GMCZHQZRICFOSN-UHFFFAOYSA-N 675.091 7.327 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 2313676850 PQZJYKALDRHSJI-UHFFFAOYSA-N 521.913 5.420 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313681049 BEDQPCRYVVKOCM-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592365 RVYSJCJUJGQICE-RUZDIDTESA-N 551.590 6.341 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314616746 IVUPXKWAPGSTMS-UHFFFAOYSA-N 556.622 5.905 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314617339 WKKUURHJSJTSRC-UHFFFAOYSA-N 573.045 5.780 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646528 ALULGSLHDFFBOY-PMERELPUSA-N 646.769 5.943 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328821201 CPJBGKKRPQZGMK-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1scc(Br)c1Br 2339680427 WLBJXRHERCGWCZ-JTQLQIEISA-N 600.765 7.730 50 10 KKGE ClCc1c(Br)cccc1OCc1ccc(I)c(Br)c1 2349811327 VVFKBSGRHIMFAI-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2364035658 FJSMQKWQCWKSKL-NSHDSACASA-N 550.314 6.415 50 10 KKGE Cc1ccc(-n2c(SCC(=O)N/N=C/c3c4ccccc4cc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1 2696311 YGFDMEVWERJNTR-XZYGTATASA-N 588.758 7.183 50 10 KKGE Nc1c(C(=O)N/N=C/c2ccc3c(c2)OCO3)oc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12 33349838 OPVQIYNRBUBALT-XAZZYMPDSA-N 510.937 5.890 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)n2)cc1 33568631 KUCMPGYFLJQQEH-ZTKZIYFRSA-N 520.661 8.702 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 35447458 IREJBWJFTBQIJU-UQQQWYQISA-N 518.038 6.710 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 38680762 KXXDRVYKVASBRW-HXUWFJFHSA-N 500.269 5.478 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OCC 38684067 DVVXPFGFPSSAHO-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 40959393 YBXXCVPWBMKRCN-TURZUDJPSA-N 519.480 6.289 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 58895448 LYGHPFXUWYQNEB-ABZYITTCSA-N 501.410 5.935 50 10 KKGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100199332 RVYKKRPALBUMSY-UHFFFAOYSA-N 563.301 5.038 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100210939 KNPXCTGXJOKOLY-UHFFFAOYSA-N 601.361 5.011 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 100242123 LTFTVRMBNWZSBP-UHFFFAOYSA-N 546.476 5.110 50 10 KKGE O=C(NNC(=O)c1ccccc1Br)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 100947967 WJYOISDUSFLQOU-UHFFFAOYSA-N 523.390 5.801 50 10 KKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccc(Br)cc1 101067566 GNZTVGNVSLHOCZ-UHFFFAOYSA-N 531.676 5.320 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241259 UDZKBUIXJSCLRM-VWOOYDPRSA-N 552.483 6.135 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 101335928 SAEGYCRQAUVPMQ-TURZUDJPSA-N 538.648 5.655 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 101363897 SQIWQNXDISMCGD-MRDQGFSESA-N 533.422 6.164 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCCC(C)C 101375155 URPWJKCQLJDGGT-GHRAFVERSA-N 570.686 6.664 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101376281 JIWQOZXCTWBMDY-YHTKHVAWSA-N 549.454 7.399 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101380034 FSNGMEVWYJLURL-PMERELPUSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380727 JXYANUJQZLSATB-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101388129 HNKXCRKQPHGDPZ-NDTAFNIQSA-N 613.497 7.808 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388430 JWQNSLKSKKOBCW-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1F 101388930 ZFKJIAVQSGZBGW-NDEPHWFRSA-N 542.588 6.302 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCC(C)C 101395535 QEYGRBWGJHHPAZ-SANMLTNESA-N 569.441 6.483 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCCC(C)C 101395785 ABDJUHZLGWVGBM-PMERELPUSA-N 566.610 6.054 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1F 101399841 MHTSHYGPMJEMIB-JGCGQSQUSA-N 590.607 7.295 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl 102347339 RFUXNRXFRZVBPG-SXGWCWSVSA-N 547.435 7.229 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C(=O)OC)c1C 102924512 QVXAVEDDJOTMAT-RCCKNPSSSA-N 529.643 6.787 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4cc(Cl)ccc4C)c3C)sc3c2CCCC3)cc1 103792774 SBEPDNAWDNHISC-LFVJCYFKSA-N 583.157 8.103 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1cc2cc(Br)ccc2o1 103880004 RGLRQSXVYDIFCO-LGJNPRDNSA-N 575.200 6.143 50 10 KKGE Fc1c(F)c(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 128293357 LUFHOTSZTACHSH-YFKPBYRVSA-N 500.906 6.453 50 10 KKGE CCOC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)OC)[C@@H]3C(=O)[C@H](Br)[C@@H]2C1 135604948 OTQKRWDYSBXXEM-IQDKFTAJSA-N 555.550 6.329 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 150382823 SUFZMKGKUWWPMF-ZSYYNXLFSA-N 633.324 6.325 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 150498803 ZWOUIVGPEMYDHQ-IURWMYGYSA-N 651.435 8.100 50 10 KKGE COCCOc1ccc([C@H](Br)c2ccc(I)cc2)cc1Br 229016684 AOHKBODCTHRSLG-MRXNPFEDSA-N 526.006 5.563 50 10 KKGE Brc1cc([C@@H](Br)c2cc(I)ccc2Br)c(Br)s1 232482339 WHSHJMXVSLUBQW-JTQLQIEISA-N 615.748 7.125 50 10 KKGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@H](C)c2ccccc2)C1 245338920 PHPIJWJXDIZVDV-WKJFVQFFSA-N 584.138 5.424 50 10 KKGE CCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530176 KPKQRYXDKNVKBO-OGNRXLGRSA-N 533.281 10.127 50 10 KKGE biogenic CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 254734091 RHFMMBDJMWHAIR-VJWACWDXSA-N 601.295 5.627 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254791050 LPYNQGHWVZVKJC-UHFFFAOYSA-N 567.727 6.190 50 10 KKGE Cc1ccccc1C=NNC(=O)[C@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 254867635 IKLBVSRCIVHWPU-QFIPXVFZSA-N 520.662 5.972 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 380122579 RDWQCMVIXVAROG-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c(I)c1 398734190 NPRJKGIQDLWQRM-LLVKDONJSA-N 523.887 6.094 50 10 KKGE Clc1ccc(I)c(C[C@H](CBr)c2ccccc2Br)c1 405545689 WCSMELOINYYTAB-LLVKDONJSA-N 514.426 6.428 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 504787943 WAXZORJPNLBJCF-GMJIFEPJSA-N 516.927 9.389 50 10 KKGE CC(C)C(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@@H](CO[P@@](=O)(Cl)N(C)C)O3)c2n1 725326459 WAHZVPMCAUKPIH-MLLSDSDHSA-N 853.317 8.067 50 10 KKGE CC(C)c1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 725428070 RRJJAWCHNWPULY-UHFFFAOYSA-N 504.222 6.017 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 1084000395 HSIRUGZQEMWTNO-HHHXNRCGSA-N 524.448 6.359 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)cc1)S(=O)(=O)c1ccccc1 1084247945 VJCUKJCIZKNLRJ-UHFFFAOYSA-N 611.167 7.215 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084306563 OIMDLWNOXKWLIU-QHCPKHFHSA-N 571.755 5.047 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 1084315428 IQZUWLZGUPTCDT-UHFFFAOYSA-N 593.105 5.338 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084533019 FLTLLRYYCAWCRK-UHFFFAOYSA-N 561.635 5.067 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1cccc(Cl)c1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357463 YDJUYIWFJNJTQE-RIURJSNOSA-N 555.315 5.912 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748393 PLKUUFVAVQBKGC-UHFFFAOYSA-N 515.353 5.834 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684558 RYOJVMZEXBYZAD-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865687457 ROWRXOUEHMOWFM-SANMLTNESA-N 516.642 6.010 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865688058 HSVHQIMXYAWGDO-AREMUKBSSA-N 578.566 6.594 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc(Br)c1O 1865688303 OWYOCYJMQWKFMD-LJQANCHMSA-N 546.219 5.028 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690200 LEQRSCBGLVYKCZ-JGCGQSQUSA-N 546.630 7.490 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865691386 QPSXHIXDLCSOHP-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691457 SGUNJAADBMDBLY-XMMPIXPASA-N 510.997 5.692 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865691555 VKPXLXSORYUTCP-OAQYLSRUSA-N 564.267 6.266 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865691886 DGBDWCONWDNCEJ-DEOSSOPVSA-N 571.903 6.452 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695329 NRGKTMJZWDUXSK-SSEXGKCCSA-N 534.660 6.307 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cc(Br)ccc1F 1865702124 NIRSGKAIXHQECD-JOCHJYFZSA-N 535.804 6.372 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703632 XLFFBCKTYSZOKK-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1OCc1cccc(C)c1 1865705837 GURXOJRVYSUZTM-QHCPKHFHSA-N 566.967 6.659 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865705927 JMHXHPSFNTUJSC-LJAQVGFWSA-N 571.637 6.057 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865706728 DHLTVDDAIGBOJU-HNNXBMFYSA-N 531.705 5.784 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866582831 BZBGDLAFHHXXRB-SANMLTNESA-N 560.676 5.652 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866768171 UMYCZUGOLHHTOT-BDYUSTAISA-N 519.642 5.909 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866771973 PDDSUBCNUYRRMH-NSOVKSMOSA-N 561.773 6.763 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Br 1872729079 MLOHYYZFUISLAX-XSFVSMFZSA-N 529.431 7.322 50 10 KKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(Br)cc2)cs1 1872746589 ORJIHDNUKKCDTD-VKAVYKQESA-N 509.166 6.127 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)c1 1872754876 MYYDHUBILKXQEP-SZMIEORPSA-N 506.580 6.047 50 10 KKGE F[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898078623 PYEPEZVDPWIVFA-XQKIPNJGSA-N 500.225 6.375 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 1912977319 XZPXEYIXVJUNNA-LLVKDONJSA-N 515.008 5.238 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915302718 ZJRVBTQTXJBLGR-QGZVFWFLSA-N 544.136 6.366 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923054905 LSPKFYXOKGBYDF-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924585419 LHCDSPQBEKHGJC-SECBINFHSA-N 519.878 6.529 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1(Br)CCC1 1960901296 WYTMXECNZFFHLB-LURJTMIESA-N 502.291 6.680 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 2028922981 FZVARESBBQETHM-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)c(Br)c1 2032958871 OBTAEVANAHTZNI-JTQLQIEISA-N 519.878 6.529 50 10 KKGE FC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2[CH-]CCC2)cc(C(F)(F)F)c1 2037564082 NSFCYHHYTUHBIQ-OAHLLOKOSA-N 525.293 7.951 50 10 KKGE COc1cc(C)c([C@@H](Br)c2sccc2I)cc1Br 2078003076 IIGZEZPOBBSNNN-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2nn(C)cc2Br)c1Br 2083317640 IFOQNYKJLNTTHA-LLVKDONJSA-N 501.842 5.500 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085495407 KITYARYXTMVWQE-NWDGAFQWSA-N 526.288 6.586 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2097834920 OTGBYNNIUSETHH-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 2141474546 BPTFGWNSQMCDAV-KZVJFYERSA-N 580.778 7.609 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2sc(C)c(C)c2Br)c1Br 2237630788 AFGWFKUJXZEXLT-AWEZNQCLSA-N 501.509 7.597 50 10 KKGE Cn1ncc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1I 2263518125 ZRWREMFTNZNWLI-LLVKDONJSA-N 548.842 5.228 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCC12CCC2 2266132907 ISJGPDHKUIBELT-FUXBKTLASA-N 536.327 7.597 50 10 KKGE Cc1c(Br)cccc1CO[C@@H](CI)c1cccc(Br)c1 2283652063 PEIDLYSLBXEBAT-INIZCTEOSA-N 510.007 6.213 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Cl)cccc1Br 2288347882 ZFFQPSZUCBLISG-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 2296707730 BSFASAIOFPFFPZ-UHFFFAOYSA-N 569.448 7.241 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 2297624444 LFXIVVCXALGODY-UHFFFAOYSA-N 511.363 5.561 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC#N 2313571400 VMVVSEPOMHAADG-UHFFFAOYSA-N 542.160 5.445 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 2313631271 NGFJHJSRGMQJBN-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 2314432899 HDOKHBHJPUTIJK-UHFFFAOYSA-N 542.598 5.627 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593437 MXLHXIRGDYJAJN-IQGLISFBSA-N 551.590 6.018 50 10 KKGE CC(C)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593803 TYTLAPOCVZAHHX-NDEPHWFRSA-N 509.675 6.998 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314610630 KOACHACESRHICB-UHFFFAOYSA-N 556.666 6.675 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314616576 DZVGBCUEIKYIMQ-UHFFFAOYSA-N 577.084 6.816 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314616855 LDYRXXKKPPIKQH-UHFFFAOYSA-N 534.660 6.560 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C(C)=C(C#N)C2=O)cc1OC 2314617457 YSKZNMMLOMFXBH-UHFFFAOYSA-N 630.745 6.816 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618063 GMDUWXDPLQTVMT-GDLZYMKVSA-N 639.539 7.196 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643473 ZXPGBIJZAWWFPX-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)n1C 2315598888 RNHQSVNDADXNCV-YFKPBYRVSA-N 542.316 6.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cnsc2Br)c1Br 2315620716 YRJKIMSCHDIBSB-ZETCQYMHSA-N 648.632 7.440 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)cc2I)c1Br 2317774640 RBONDISCTQEUOG-SNVBAGLBSA-N 585.324 7.324 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCC2)c(I)c1 2318529506 QWFZWPBTDNAOQF-UHFFFAOYSA-N 506.447 6.063 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 2321721629 XDZXWMOVAMGIHW-GOSISDBHSA-N 506.430 5.670 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c(Br)c(OC)c1OC 2331309026 OMZGIRMUQXAOMR-UHFFFAOYSA-N 501.402 6.165 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)c(F)c5)cs4)cc3C2=O)c1 2331351751 VLXNDHYLRAEXIS-UHFFFAOYSA-N 513.525 6.456 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C(SCc2c(F)cccc2Cl)SCc2c(F)cccc2Cl)c1 3059062 LVXXKHNSPQVBCM-UHFFFAOYSA-N 535.468 8.121 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 38603595 QXPBBLJOXYLUJH-OVVQPSECSA-N 508.622 6.029 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38659652 OGUMMPQAESGHIJ-KWMCUTETSA-N 514.578 5.247 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679843 ZLGPWETYEGYIQX-DEOSSOPVSA-N 509.389 6.466 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38681950 IJJBCCYYQUYTRF-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3OCC)cs2)cc1OC 40927084 BKJGPJVESFZJED-LTGZKZEYSA-N 505.640 6.722 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229569 BXDMHPPMLQRVNS-QMMMGPOBSA-N 531.017 5.056 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 100232139 AJXLSXMBOZWIFO-XZJBEKIMSA-N 545.861 6.044 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 100235876 IIKWUGVVHZPNOY-ABZYITTCSA-N 529.406 5.530 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C\c2ccccc2OCc2cccc(Br)c2)cc1 100959228 AYHVEDRVWRPORI-TUVGLCNXSA-N 584.470 5.958 50 10 KKGE COc1cc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337419 CZBHQVBEYNPQFH-WHEDMDOKSA-N 527.404 5.352 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101338017 RABBWGCVFUNJGI-VUTHCHCSSA-N 526.640 6.300 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 101371129 BSVSBPQHYUEUMH-QFIPXVFZSA-N 519.743 5.988 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 101375002 XQIRYJSGNMKHKZ-KZLCEWNNSA-N 554.643 6.356 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379721 YKJZFOHRJKSNJX-PMERELPUSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381719 YZPSSXPZTJVSQP-UUWRZZSWSA-N 538.603 6.785 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101383005 AGHDINDDHVCAFV-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384450 RXSLHACPXCLQLI-JGCGQSQUSA-N 550.586 6.170 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101387179 QYNHQNYNAKVYJN-HKBQPEDESA-N 597.555 5.524 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cc(Br)ccc3OC)c(C)c2c1 101393625 IGMYKCNNCHGLRH-SANMLTNESA-N 559.416 6.512 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101394741 MWPBZBZTZQRGDJ-GDLZYMKVSA-N 603.140 8.268 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)oc2c1C 101397957 MNWZUSKVVRABPX-WJOKGBTCSA-N 574.608 7.514 50 10 KKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1 103594199 GZIDTJIHJMEGMQ-UDWIEESQSA-N 536.579 6.689 50 10 KKGE CCOc1cc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 103748799 VYWRLGRVFSDOHD-DPNNOFEESA-N 592.117 5.486 50 10 KKGE O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2cc(Br)ccc2o1 103876884 VUQDOJRAROAYGO-WCMJOSRZSA-N 522.402 7.115 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2 103884508 CGPGCBIKLIRZPF-PCLIKHOPSA-N 586.486 5.741 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(OC)cc1Br 134293567 HFIZBFHBQPWBOQ-HNNXBMFYSA-N 543.875 6.476 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150422144 OEVQTELFONHJPI-UHFFFAOYSA-N 641.769 5.201 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442244 WQQCPGYTBLPILQ-GDLZYMKVSA-N 677.993 9.277 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)c(C)c2c1 150463283 WDELRVLLPOEPMY-MGBGTMOVSA-N 655.534 8.635 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2cc(Br)ccc12 150483700 JTLJXOSTTRLZOR-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205661725 PNHIVXQHJXRGNZ-JCMVSKNGSA-N 536.672 7.390 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214346701 XQZISRMEYBUYDR-GIBOGKFOSA-N 584.720 7.333 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2)cc1 252596041 CGBRVUXWIGEGFH-UHFFFAOYSA-N 576.118 6.388 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254385905 UKFQMGQGJMXKGL-UHFFFAOYSA-N 538.729 7.854 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 254624245 PFHJGLNYZZKLDV-UHFFFAOYSA-N 597.718 6.471 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc(C(C)=O)c1C 256017427 MEJNQLIAMCCRME-UHFFFAOYSA-N 544.029 5.832 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3ccccc3nc12 256019754 BTSWPNDUQCNJHX-POFPNKPNSA-N 510.476 6.079 50 10 KKGE Cc1cnc2ccc3c(nc(Nc4nc5c(OCc6ccccc6)nc(N)nc5n4[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O4)n3C)c2n1 256430781 MCJCKSMTQLIMSJ-OCBJUFRSSA-N 797.126 8.569 50 10 KKGE Cc1nc(Oc2c(I)cc(Cl)cc2I)ccc1CCl 311472996 JFZUOMLWOPXBHC-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2I)[C@@H](CI)C1 382703044 DHMVOTGVJNPLHQ-GWCFXTLKSA-N 592.053 5.439 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1 383781073 PBMSXGHSGZKJOD-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE CC(C)(C)OC(=O)NCCN1CC[C@@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616584834 COKOOMUMXAWQJU-VWLOTQADSA-N 510.795 7.118 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccccc2)CC1 725237738 MQUMZPOQRQXXHP-DEOSSOPVSA-N 536.019 5.424 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)CCCCCC(=O)Oc1cc(C)c2c(c1)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 725237781 QLSYJKBJUYGQTE-PHJIQRBYSA-N 827.244 14.626 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725407694 PXKBSHYLEDYIRH-JGBIIJINSA-N 590.749 6.633 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1 725436762 UYUDEJVYRFDOMC-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 1083978676 SYAQBMOVUSXXDG-UHFFFAOYSA-N 680.373 8.707 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084077688 FIEPCZNZKAMTEB-OYRHEFFESA-N 620.112 6.453 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 1084243994 XIPWUGAJHIPUFB-JOCHJYFZSA-N 672.155 6.359 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084278473 KNJFUEFAMDLMIX-DEOSSOPVSA-N 681.321 5.694 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 1084413628 QJRIMWMAAPCUCW-PMERELPUSA-N 526.637 5.771 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc(Cl)cc1 1084608305 HSCSTYFMDCCMSW-UHFFFAOYSA-N 665.915 6.541 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747240 MZRYBURXIBYKIX-UHFFFAOYSA-N 515.353 5.455 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772751440 BYRIGZQTYYTGCZ-UHFFFAOYSA-N 541.604 5.779 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1772754971 DFMDRTHQEKNJIE-UHFFFAOYSA-N 558.512 6.947 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683665 HQTAVLTXMDUGFT-VWLOTQADSA-N 541.449 6.205 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Br)c1 1865683831 IZJWRISVFUSJLK-OAHLLOKOSA-N 530.131 6.179 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865684932 BWDWSFCDDURRNV-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 1865685472 JDQMJODUGXDXGL-XMMPIXPASA-N 501.417 6.740 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686314 UNGFQKUHERXZCB-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687064 IOCHLWCNGUWKCT-HHHXNRCGSA-N 510.569 5.439 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690020 ZFCGZEYFASRWRB-IBGZPJMESA-N 550.240 5.826 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865694879 DORZYZBUZKQBEZ-XMMPIXPASA-N 523.431 5.739 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865695013 HUCWNYQQNMXUDW-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865697564 WOWDVPOAHNRDHP-MUUNZHRXSA-N 536.632 6.013 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865698470 UUFJIDJOEVXJKM-HSZRJFAPSA-N 517.372 5.835 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701393 UPZFHSDPHDEWOZ-VWLOTQADSA-N 572.279 7.592 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703429 VQEXQTXAVNTSOI-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705819 GOIVUBJRLXSIAK-QFIPXVFZSA-N 518.360 6.032 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C(=O)OCCc2ccccc2)c1C 1866131503 YHPRCCWJFBXETI-XSFVSMFZSA-N 506.555 5.318 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 1872744669 CJLKPILWXOWZHI-VVDDJIQESA-N 520.825 6.625 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 1872754942 QRKCXYZQAXFIIC-AQTDBHCXSA-N 501.652 6.624 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791809 TUYJJZLIVJRCSM-WOJGMQOQSA-N 511.405 7.908 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1ccc(Cl)cc1I 1901596957 PODSVMVXTDMWNT-MRXNPFEDSA-N 518.617 5.140 50 10 KKGE O=C(c1cc(Br)sc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915741056 JQCUPCVZOADXCC-UHFFFAOYSA-N 522.100 6.233 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924596776 TWFGRMPSKVEKSO-VIFPVBQESA-N 537.868 6.668 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC23CCOCC3)c1Br 1924608576 KJZIJYFGXJLGFN-XPUUQOCRSA-N 523.910 6.288 50 10 KKGE CC(C)(CBr)Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951566260 VIGNLQRDHUEKHS-UHFFFAOYSA-N 719.965 6.811 50 10 KKGE CCCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048014 MGOAXAVFLNFZOA-LURJTMIESA-N 542.729 7.363 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2csc(Br)c2Br)c1C 2024029221 UEMFLNCGOPBQIY-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE COC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025780863 YEONTIRABQMSBA-JTQLQIEISA-N 512.261 6.196 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccc(F)cc1 2053614177 FDVPVMMXBWZUQC-UHFFFAOYSA-N 630.763 7.236 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2I)cc1Br 2087570153 OGYQKUJYZXQYAK-CQSZACIVSA-N 558.877 6.803 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2097836010 WNVZASOQBDEKAQ-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cc(Cl)ccc1I 2117896310 ZJIFKOOHAQDEGL-JTQLQIEISA-N 505.565 5.058 50 10 KKGE Brc1ccc([C@@H](Br)CCc2cc(Br)ccc2Br)cc1 2118533271 XZEBLCZUWKTEIV-AWEZNQCLSA-N 511.877 7.043 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141469971 YBFKJXYBJMCPFV-LBPRGKRZSA-N 576.746 7.529 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(F)(F)C1 2141471775 VYFSDHNPRFQYRW-JTQLQIEISA-N 590.720 7.608 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@H](CBr)CC1CC1)c1cccc(Br)c1 2169162398 NSIQNLVGPTXMMR-KRWDZBQOSA-N 504.307 5.982 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Br)c2Br)c1Br 2201063233 CKBODAOJPUZQHU-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396978 CQCPIFKKYGFCAF-RVBZMBCESA-N 596.821 8.245 50 10 KKGE Cl[C@@H](C[C@H]1CCC12CCC2)c1c(Br)c(Br)cc(Br)c1Br 2206398415 UXNDXOZRKFEBTH-KCJUWKMLSA-N 550.354 7.987 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Br 2227347748 KBZBESVJTLWZGE-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272722135 QAVMVUUNNBBJEL-JTQLQIEISA-N 539.859 7.107 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23COCC(C2)C3)c1Br 2273129680 FMSHKJGMALUOSB-SKPUXYCPSA-N 582.750 6.599 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198356 ZLSQOXLCMFPOJH-DEOSSOPVSA-N 532.463 6.131 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)c1 2296506958 MWGBEZMOGIQASQ-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570674 CQQFDJUBBYGZOV-UHFFFAOYSA-N 618.085 8.029 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314456831 BDVSIJFPSQMKFW-UHFFFAOYSA-N 512.772 7.458 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@H](CC)C2 2314572238 WOOOWSGYIJTNCC-SFHVURJKSA-N 525.630 6.794 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314617063 QDDXYUPJUWROQL-HSZRJFAPSA-N 609.752 5.495 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487671 ROQWQDKABOYEBJ-UHFFFAOYSA-N 566.752 6.963 50 10 KKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331260627 RYMBYKURGMVNMK-FQEVSTJZSA-N 508.397 5.686 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1OC 2331382532 DHXHHSFVABUIGN-OAQYLSRUSA-N 503.624 5.328 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331403834 METGXXHJUZEZOQ-OWJWWREXSA-N 501.608 5.939 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331421758 PECXUFUMCQEJIG-UHFFFAOYSA-N 524.267 7.741 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336044442 ODXRFRYCODHLAU-IBGZPJMESA-N 559.523 8.123 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(Cl)c(I)c1 2362435468 GRNHHYNZFYRJEX-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(Br)ccc1I 2365858364 UEDDCQULZBCARH-CYBMUJFWSA-N 517.043 5.229 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 14640778 HFFCINYBGNRICJ-UHFFFAOYSA-N 525.443 5.915 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38653555 XWHSNWLCQWCCBY-QHCPKHFHSA-N 512.305 5.104 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 38679390 BAJWCHMEJDUVIC-XBBWARJSSA-N 528.605 5.637 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 40813213 FQDDDXIHHVTIBS-INKHBPHZSA-N 519.557 5.825 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 40823747 KYDQUDNZGTXGNK-NDZAJKAJSA-N 520.010 6.818 50 10 KKGE C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)C(c1ccccc1)c1ccccc1 66202598 BOKUOOCMBLXDIR-QCFMCPCVSA-N 503.646 7.174 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)cc1 96577248 GCBUUWKHEMAVFX-CLCOLTQESA-N 507.634 7.097 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100160059 LXEBCCBKYIBDNC-HNNXBMFYSA-N 564.274 5.482 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1 100235300 SMAVHHWXOKLCJR-APTYXWLQSA-N 566.452 5.271 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235634 HQJQTIMRWJNMLJ-OPJDEBTLSA-N 556.413 5.299 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 100452010 ZXQBHENTVUTUBM-WUKQQSQZSA-N 532.438 5.592 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc4cc(Br)ccc4c3)cc2)cc1OC 100869890 ADRDRXNEFOTALJ-UHBFCERESA-N 563.404 5.368 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034100 MTWTTYQMAMQCBM-OVCLIPMQSA-N 525.800 8.201 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101293438 OMEMQLFNNAVEQK-XIFFEERXSA-N 609.078 7.320 50 10 KKGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101336365 LJNNSHKJDBXGJQ-WSDLNYQXSA-N 543.447 5.988 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101336629 FDBJZGXIFZGNOD-LQKURTRISA-N 532.600 5.960 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 101372343 NWOWNRZMJNIZAM-MUUNZHRXSA-N 533.024 6.745 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101373778 HDDQTSZSGYLLQU-QFIPXVFZSA-N 590.501 5.772 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccccc5Cl)ccc43)cc2)cc1 101378564 FOYNWAPDDFEQTJ-IDVKVFGRSA-N 549.026 7.064 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)oc2ccc(Cl)cc12 101391338 TXBYWQYIZNRSKJ-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)cc1Cl 101395256 JLKZSRJCWJHVPP-GDLZYMKVSA-N 611.522 7.797 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H]5COc6ccccc6O5)ccc43)cc2)cc1 101397415 HGZDCIRPIIHVHY-JSOSNVBQSA-N 546.579 5.538 50 10 KKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101467404 CKEGKMJDZGJVTB-UHFFFAOYSA-N 523.380 5.655 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5C(F)(F)F)c(C)c43)coc2c1 101620191 KRAFSFRWDZMGIZ-KEIPNQJHSA-N 537.538 6.621 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2Br)c1 102934987 AFUBGXGMXJTNQQ-IUXPMGMMSA-N 605.670 7.206 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 103877662 QVYQKOBGHNPMEK-QXUDOOCXSA-N 529.596 6.524 50 10 KKGE COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103878077 JETFVBKCHHSGGQ-OCSSWDANSA-N 546.421 5.531 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl 103879236 UWQIMDWFCZOAEY-VFLNYLIXSA-N 606.698 7.353 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883271 PRTNQQUAEYADKZ-CJLVFECKSA-N 594.409 5.034 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929249 OBXWQSCHFWBSBK-AMVVHIIESA-N 555.035 5.283 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)c(Cl)cc2N1 128556428 HRLRTQXGNRFSPY-GFCCVEGCSA-N 500.437 5.905 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccccc1Cl 150348417 QZPYERCUABUCDZ-VTNSRFBWSA-N 626.960 7.087 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400516 RKNYBCOHRMGSLV-KQASJELASA-N 960.076 9.661 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2ccccc2o1 163803404 HABOZDOEUGBJQR-FJEPWZHXSA-N 672.260 7.138 50 10 KKGE COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164634814 HFSSFYCVUPMTIZ-MUFRIFMGSA-N 661.281 6.434 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214434124 MPFQQMLQOYJKMW-IMRQLAEWSA-N 600.647 5.029 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1cc(Cl)c(Br)s1 229518857 JHCAHOCXOMEEBE-JTQLQIEISA-N 513.398 7.430 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)nnc2-c2ccccc2)cc1 254395784 WXUUMPOZZLMHKM-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(Cl)cc2O)cc1CSc1nc(C(F)F)cc(C)c1C#N 254815303 OFDIJQHSUNIFMZ-UHFFFAOYSA-N 516.957 5.623 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254838687 MHVDPKDLCQAQAS-UHFFFAOYSA-N 576.653 5.519 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](OC(=O)c3ccccc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 575180622 SQYDVNQVPKAIHH-GKXKVECMSA-N 590.822 5.028 50 10 KKGE C[C@H](Cl)c1nc2c(Br)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705610440 NEAZFICYCXZBSW-FQEVSTJZSA-N 524.890 6.570 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 725438972 OCFQWHOUHZBOLO-XIFFEERXSA-N 622.563 7.936 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1083887280 YUHQEUNWMCUZRC-UHFFFAOYSA-N 633.985 6.717 50 10 KKGE Cc1ccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)cc1 1084063473 DGOYKHRZIBDJSE-QGOAFFKASA-N 503.389 6.441 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CCSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084119178 FWKNQPHBXFNQTK-YIIWZEITSA-N 560.119 6.976 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084136775 XWXQPYMCBUIILQ-UHFFFAOYSA-N 589.058 6.420 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084137879 BJGAUXCRHDMSKS-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 1084162806 QKHARDBSRRUCQK-SANMLTNESA-N 507.417 6.690 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1 1084241792 NGMMGZMERHELPP-QFIPXVFZSA-N 546.259 5.755 50 10 KKGE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(Cc1ccccc1Br)O[Si](C)(C)C 1084294751 XWJNTQPWGWTJJN-WTECOUAGSA-N 527.619 8.147 50 10 KKGE O=C(CSc1n[nH]c(NN=Cc2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)c1ccc(Cl)cc1 1084342410 AMYLVEWAZJGKAP-UHFFFAOYSA-N 554.035 5.355 50 10 KKGE CCCCCCCC(=O)NN=Cc1c(SC)sc(SC)c1C=NNC(=O)CCCCCCC 1084371928 DPHWWFPFPPVUMP-UHFFFAOYSA-N 512.811 6.813 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)c1C#N 1084376460 ONGJZKBTRJKHBK-UHFFFAOYSA-N 775.179 5.488 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 1084429582 CIECULKYHXZAJY-MOHJPFBDSA-N 568.891 9.317 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(I)cc1 1084495991 ZFHGDICPOLURAO-UHFFFAOYSA-N 566.395 6.117 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084551613 IYRDFQWFKGWWLJ-OVCLIPMQSA-N 693.081 7.466 50 10 KKGE CC(=NNC(=O)COc1ccc(Br)cc1Br)C(c1ccccc1)c1ccccc1 1084561714 YKYQAIQEGXOXHS-UHFFFAOYSA-N 516.233 5.915 50 10 KKGE COc1ccc(C(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084584013 IEEULOXIGIUYRD-UHFFFAOYSA-N 540.689 6.368 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1 1084622139 SSVIAEHKOBDBSL-UHFFFAOYSA-N 551.622 5.587 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)ccc2F)C1 1614691872 JJMBCUQIEXOLSW-PBHICJAKSA-N 507.265 5.632 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC(C)C 1772754976 DMKKEBUKZOKJAV-UHFFFAOYSA-N 554.919 6.264 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865688329 PIWYJBNAPSMJSU-QGZVFWFLSA-N 553.310 5.174 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688523 UIUKJXDHVUMDBY-SSEXGKCCSA-N 569.105 7.042 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688646 XUZPKPKQDPFFOG-HSZRJFAPSA-N 543.421 5.933 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696294 YXUQYDNFNXYZCP-MHZLTWQESA-N 541.051 6.988 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701563 YGFJFGRXJOHIOE-SANMLTNESA-N 535.406 6.483 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865702918 ICNGLJNOJJSFRP-MGBGTMOVSA-N 560.657 7.798 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)c1 1865703216 QGGYCERDWUEYCD-RUZDIDTESA-N 564.995 7.018 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865704355 UDSHJUJYYOJMNX-NDEPHWFRSA-N 514.585 6.046 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865706173 PJLMTPAYLDMMQE-QGZVFWFLSA-N 511.287 5.189 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c(OC)c1 1865708039 MKBITCDCPXDULM-XMMPIXPASA-N 516.960 5.626 50 10 KKGE CCCC[C@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866853128 SYLHYAZCHYWNCS-QFIPXVFZSA-N 542.492 6.168 50 10 KKGE CC(C)(NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867040503 RYWAAHMXPQQHGB-UHFFFAOYSA-N 501.652 6.137 50 10 KKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)[C@@H]2C 1868414119 JOIAEUPAIBBAAX-GOSISDBHSA-N 514.054 7.246 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@H](c4ccccc4)Cc4ccccc43)nc(-c3cccnc3)n2)cc1 1868565853 OQRFQDFUAPIHNQ-RUZDIDTESA-N 512.642 7.333 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1F 1872727658 QTJBBDYYMXOCDN-YBFXNURJSA-N 501.514 5.534 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(Cl)c3)nc2c1 1872728771 SGOWGNBOBADBRF-XDHOZWIPSA-N 501.926 5.427 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1OCCC 1872818224 SMQXHYRJQZOINS-UZYVYHOESA-N 519.450 7.566 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2cc(OC)c(OC)c(OC)c2Br)n1 1873921038 QWXNPUZMEIGSDC-HKWRFOASSA-N 517.401 5.865 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1c(Br)cccc1Br 1923070456 AUHMIYPFZSCDKI-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)C12CC3CC(CC(C3)C1)C2 1923071509 JEVRYXKMFIEKER-KRCHHAKFSA-N 503.525 7.579 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923074582 ONBUGSMXTMTXJU-YFKPBYRVSA-N 545.341 6.938 50 10 KKGE Fc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924599368 GMCCKZRQDRCXBD-LURJTMIESA-N 539.859 6.993 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)sc1Br 1925572110 YCNQHVUFDHPNOY-RXMQYKEDSA-N 564.771 7.888 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2032959277 YSMDOYDPGXBFJC-SECBINFHSA-N 542.287 7.312 50 10 KKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2069067407 DHYIUFXZKVEUPF-XINAWCOVSA-N 529.864 6.907 50 10 KKGE CC1(C)C[C@]1(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495318 PWZKDAMBLPQRGP-DGCLKSJQSA-N 524.316 7.453 50 10 KKGE Cc1cc(Br)c([C@H](Cl)Cc2ccccc2I)cc1Br 2087571069 YWJDHDPUZOUHGT-CQSZACIVSA-N 514.426 6.647 50 10 KKGE COc1cc(C)c([C@H](Cl)c2cc(I)ccc2Br)cc1Br 2198733213 SZWHGXIYWYYMBD-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206409095 NLBCTRWYLBGKSV-CYBMUJFWSA-N 658.191 7.978 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2scc(Br)c2Br)c1C 2213633284 UMWXHJDXPXYTQW-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)cc1I 2232833473 NETADRPHIYQVLU-GFCCVEGCSA-N 519.924 6.264 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)cc1Br 2255969952 OYLRHMWUDWMEKO-JTQLQIEISA-N 542.287 7.312 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 2272726684 BEJUJJKUMPRNBD-MRVPVSSYSA-N 604.728 7.561 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2282787198 NPZKKBFAOJEWEX-OAHLLOKOSA-N 511.954 5.612 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1Cl 2288348988 KPJZBZCFZXZBDY-SNVBAGLBSA-N 509.797 7.281 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)c(Cl)c1 2288494593 JAVOWYVRXKCWGY-NSHDSACASA-N 554.248 7.390 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)c(C)s1 2295264669 IQTPGDJWZYWYEL-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE COc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295273640 AQNQAWUUBRGMCO-CYBMUJFWSA-N 527.876 6.661 50 10 KKGE Cc1ccc(-c2ccc(C=NNC(=O)C(=Cc3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1Cl 2295523537 CIXYYWGWDFPITD-UHFFFAOYSA-N 527.024 5.896 50 10 KKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296001987 YEOQTKPIKMKJOC-OAQYLSRUSA-N 512.393 6.197 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)sc2c1CCCC2 2296719418 NXOKAXQZCHQXBK-UHFFFAOYSA-N 575.046 5.803 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Br 2296727539 LKTWMTQZSKQKBL-UHFFFAOYSA-N 609.484 5.654 50 10 KKGE ClC[C@H](OCc1ccc(Cl)cc1I)[C@@H](I)CCl 2301827146 ZBRWMYXWJLPUJT-QWRGUYRKSA-N 519.375 5.111 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4ccc(F)cc4)c3C)sc3c2CCCC3)cc1 2313562406 RLIOWHORTAROPB-UHFFFAOYSA-N 509.650 7.798 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1F 2313566840 BQXRUZZJZTZDGS-UHFFFAOYSA-N 550.428 5.432 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc(F)c1 2313568862 ZSFBZWHHWLQLIX-UHFFFAOYSA-N 511.597 5.398 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313624034 JKDXWXLWJZSVPJ-UHFFFAOYSA-N 532.369 5.543 50 10 KKGE Clc1cccc(Cl)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314450425 ZAGMFEWSTAPYAW-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592258 PCXWKXNTTRDNQJ-DEOSSOPVSA-N 552.483 6.766 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592289 PXRRLQBKBXLUCM-DEOSSOPVSA-N 504.011 5.804 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593517 OIZSAEYRTOOAPR-SANMLTNESA-N 550.511 6.859 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(C(C)C)cc2)nc2scc(-c3ccccc3)c2c1=O 2320486402 IZWCJOLXRONAFU-UHFFFAOYSA-N 502.665 5.677 50 10 KKGE CCC(=CC(=O)N[C@H](CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321359819 VLGLACAMHNWDRK-HXUWFJFHSA-N 502.434 5.358 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCCCNC(=O)c2ccccc2)n1 2331350943 FZDXKUDGEPDWOF-UHFFFAOYSA-N 503.668 6.899 50 10 KKGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405478 LNJAOJWPAXNWNE-UHFFFAOYSA-N 501.307 5.114 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCc1ccccc1 2331474268 SBUGSQSQUDCDIB-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@H](CCBr)C(F)(F)F 2349828873 MEIYWCYHFBYVQC-LLVKDONJSA-N 514.949 5.201 50 10 KKGE COc1c(C)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2362872475 JKSPLMAZIIZQQI-OAQYLSRUSA-N 510.653 7.483 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2365595565 LIWGUUSPQPEERG-NSHDSACASA-N 723.060 8.479 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(I)c1 2365598142 ODTFLDVUUXIFOS-CQSZACIVSA-N 575.409 5.968 50 10 KKGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2)n1 8576638 YAYWCNDLSKUZLS-QGOAFFKASA-N 567.494 5.757 50 10 KKGE CN(c1ccccc1)c1ccc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 8702904 LRTKSVCGGLFMME-WXGDAXOSSA-N 564.715 5.556 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650900 OQSXGQSKFLBKSJ-LJAQVGFWSA-N 504.542 5.712 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 38659648 SSPZVJOYYWSXPA-LJAQVGFWSA-N 514.578 5.420 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 38660129 NIAMIOSYWCLKOD-SANMLTNESA-N 515.522 5.220 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)c(C)c2c1 38688353 PFTYUIQFXFLUPH-DEOSSOPVSA-N 505.357 6.794 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1C 40815437 ZTRDAVCMRHIBMR-JJNGWGCYSA-N 505.618 6.446 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968942 BNPLJXGVCNHCHD-ZUGOUDHMSA-N 573.299 7.470 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 100190651 ZTRXDPOBTWQRIT-KRWDZBQOSA-N 550.519 5.102 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100190762 ZWYYYBFWRLHEBF-UHFFFAOYSA-N 591.355 5.676 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 100231949 XEIDXRPSEXKSIL-SLLOZXFSSA-N 545.861 6.044 50 10 KKGE COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1OC 100302375 XLAZZOUQKNIJOV-QRQIAZFYSA-N 566.481 5.347 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241134 VJDAANRJJJLYII-FYAMCCBRSA-N 537.563 5.457 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 101243850 SEXJYDGCBZHKEU-SXVKILDJSA-N 553.728 6.732 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246162 JHXCNISLSCOQJX-NLTRVXJZSA-N 537.563 6.087 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101368060 CNDJASDTNPWOBN-SONOPUAISA-N 546.595 5.994 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101375044 RUGLRNRTVCFQSN-MGBGTMOVSA-N 584.713 7.517 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384009 QAYUDTYGKAMRQK-WJOKGBTCSA-N 548.614 7.140 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384202 WDXXIBNNVCSNOF-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388426 LQWKUMQQDFFNAR-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390477 YMXAAIWEAYVQGC-JOCHJYFZSA-N 523.397 6.654 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101399618 OTNDFZZDZVDMRG-JHOUSYSJSA-N 590.632 5.936 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101599947 PJTDLHZFBIAJKN-QFMPWRQOSA-N 524.533 6.011 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5C(F)(F)F)c(C)c43)coc2c1C 101619654 ZQPCSTZISUHCLX-PPOKSSTKSA-N 537.538 6.621 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 101641835 KFXVJHMZXXYTBP-UMSFTDKQSA-N 562.754 7.543 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 101833618 QIXOSVHWJYJIDE-PXLXIMEGSA-N 571.468 5.111 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789480 VNOHXRMKUUJLPK-CJLVFECKSA-N 581.308 6.046 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1 103878575 SUCKQRFLJBUDDE-KKMKTNMSSA-N 593.190 6.282 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 105160275 BEDQPCRYVVKOCM-PDGQHHTCSA-N 546.248 7.279 50 10 KKGE CC[C@@H](C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@]2(Br)C1 118921098 MYLPOKATQGVMSF-WLCNCWDYSA-N 644.617 10.347 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)s2)cc1Br 128807218 JAGNMJQSGNSMJT-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1 150382908 SBRGLFUOZMULLA-OADPBGPJSA-N 658.249 5.578 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433050 UGXUAGPGSSQBQJ-DHUJRADRSA-N 673.593 8.471 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 150483579 OIBPFDWDJUELNR-SSEXGKCCSA-N 635.931 8.452 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 164631853 KHPAYZNLMLFNST-IZYHBKOJSA-N 642.937 7.940 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cc([C@H](CBr)O[Si](C)(C)C(C)(C)C)ccc1OCc1ccccc1 196027897 WENVCHJJGVORAG-MHZLTWQESA-N 579.768 9.288 50 10 KKGE in-vitro CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 196520355 GEYKFJRDKMXPMQ-UMCCLHMTSA-N 702.964 7.691 50 10 KKGE C[C@H](C=O)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 202759683 ZARWZJUOPFZIOB-JTEJZKSESA-N 637.088 8.632 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 214340609 INIKGWUVEYZXJA-PBVDAQANSA-N 619.747 5.923 50 10 KKGE CC(C)(C)[Si](C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)O[Si](C)(C)C(C)(C)C 230573369 CCEXWIDNWFSMFB-UHFFFAOYSA-N 514.940 9.545 50 10 KKGE Fc1cccc(C[C@@H](Br)c2cc(Br)ccc2I)c1F 236201412 HLSVRGNYORMGME-LLVKDONJSA-N 501.934 6.011 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccc2ccccc2c1 252621365 MWWSDELDWXJZMJ-UHFFFAOYSA-N 542.668 6.428 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1cccc(N2CCCC2=O)c1 253565244 HMAXIPZZQHVVNH-JWHWKPFMSA-N 566.750 6.543 50 10 KKGE Cc1ccccc1C[C@H](C(=O)NN=Cc1cc(Br)c(O)c(Br)c1)c1ccccc1 254297973 ZSBCXFUZAPQSQY-IBGZPJMESA-N 516.233 5.702 50 10 KKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2ccc(Cl)s2)c1 254311985 ZSDQMKABUCVAFN-UHFFFAOYSA-N 522.866 7.329 50 10 KKGE CCCCCCC(C)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 254489030 NSLJHSRUSVVGKB-UHFFFAOYSA-N 512.084 5.849 50 10 KKGE CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 254630220 RBYRHDBWVSOLNG-APLJXCPNSA-N 597.587 5.650 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019297 RZGJSQALJYBLKL-KSADMFMESA-N 622.398 5.881 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Nc4ccccc4)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 575418337 JDTKCDCRSRWMSD-PDYFWAJUSA-N 701.150 8.852 50 10 KKGE in-vitro Clc1cccc(C[C@H](Br)c2ccc(I)c(Br)c2)c1 721571630 HBYHLRMTCYWLAW-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 1083940562 XVZBKPIOIIJQJQ-XMMPIXPASA-N 810.208 6.442 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084061332 ILSVNMZXORRODP-MHWRWJLKSA-N 520.185 7.020 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1 1084064676 QKZOBJWIWFLGKR-UHFFFAOYSA-N 604.626 5.705 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1 1084093586 SFKZEOVWXOUWJN-VWLOTQADSA-N 698.339 6.146 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084157570 BACHPEJDPDLZPR-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 1084283236 FVOUSLQVLBPIQY-XMMPIXPASA-N 585.451 5.098 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1Br)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084358967 ZDTLYWNSKAKLEU-UHFFFAOYSA-N 530.875 6.128 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1 1084372600 VSRINKYRJZZURL-UHFFFAOYSA-N 767.405 8.013 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 1084466774 VVBSOQIYGVLNEW-UHFFFAOYSA-N 619.096 5.098 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084471195 KKJIPVBIIGSCAK-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084549610 LXNLWRMXMNXPOW-NDEPHWFRSA-N 585.528 7.062 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084568208 GJJHXODJTDGMNZ-UHFFFAOYSA-N 632.060 6.292 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536940 DFUXHMHWOWANRY-VJNVWGOVSA-N 567.836 10.525 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744116 QGUBEYDHGDZPQJ-UHFFFAOYSA-N 513.981 6.756 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746589 DRJRRYUIWIESBF-INIZCTEOSA-N 518.545 5.016 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751619 VHIICWGQMRZTAB-UHFFFAOYSA-N 507.377 6.166 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(I)cc5)c(C)c43)coc2c1 1772751994 PVYAHUCOPBFMDZ-UHFFFAOYSA-N 595.437 6.207 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 1772755048 JGYWRSFSZLBUEP-UHFFFAOYSA-N 634.980 7.585 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 1772756146 MBDWTTKQCGTUHT-LJQANCHMSA-N 539.470 6.252 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 1772760598 XIZXGBBDDMVFEH-UHFFFAOYSA-N 528.641 6.325 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683942 QYSIRSKIYPHMGF-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccccc1 1865687010 HHXFZMZRGAITHU-GDLZYMKVSA-N 526.596 6.345 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687592 VQAIGFQPZVYWRG-MUUNZHRXSA-N 524.596 5.829 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCCc1ccccc1 1865688460 SHWYZOVUSPXRTP-GDLZYMKVSA-N 506.606 5.397 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865688683 YGBGKYVERHNTCL-MHZLTWQESA-N 522.605 5.427 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865690386 QBALUYMOLFPOSE-HHHXNRCGSA-N 525.052 7.039 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1c(F)cccc1Cl 1865694530 YUJHJXQTLUMOGT-HSZRJFAPSA-N 510.997 5.692 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865694699 ZKTIKDYQVQHYHM-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865695231 AFPUAGHQTMZIQN-QFIPXVFZSA-N 528.531 5.695 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OC 1865696156 XSZSXLKVGYIIBQ-RUZDIDTESA-N 528.996 5.827 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701025 JYCXNTBXVORJCC-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865702750 DMVVOZZIDNQHRI-RUZDIDTESA-N 512.997 6.208 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710885 KSTXIQBCQKYVPW-XMMPIXPASA-N 500.961 5.926 50 10 KKGE CC(C)c1ccc([C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962584 BQZVRMPIMJGSSR-WUFINQPMSA-N 515.679 6.195 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4cccc(F)c4)CC3)n2)cc1 1868321155 XBRMKWFBBYIAMM-UHFFFAOYSA-N 538.696 6.663 50 10 KKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1OC 1868415545 YJLWSTRRDDFHJU-UHFFFAOYSA-N 504.015 6.899 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)C[C@H]2c2cc(Cl)ccc21 1868564709 DLCVARCJOYECSZ-VWLOTQADSA-N 568.106 6.190 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782889 VVJLUKRVGJKHHQ-OVVQPSECSA-N 505.042 8.774 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccs2)cs1 1872791329 DPDAVNHRMLSQBH-PCLIKHOPSA-N 506.652 8.094 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1C(C)C 1872793365 WJNWMSDKKNFVJJ-OEAKJJBVSA-N 515.078 8.547 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 1873793057 UKCRMYFYCKWPNH-NDZAJKAJSA-N 508.615 5.769 50 10 KKGE FC(F)(F)C([C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924600912 UKYBMXCRHJHXFM-REOHCLBHSA-N 563.775 7.212 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1Br 1924614570 PLUFDBJZSANFJX-CJLIGHCDSA-N 521.894 5.895 50 10 KKGE O=C(Nc1ccc(F)c(CBr)c1)c1cc(Br)ccc1I 1924875918 MLWCJFDECLUONK-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cccc2Br)cc1Br 1945321462 GXEVFAQPXFQHQG-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)s1 1948823263 MCJLCQHQAIZVSG-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE CC1(C)C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782433 MWXXCODAKXIXJP-GCXOYZPQSA-N 510.289 7.063 50 10 KKGE CCc1nc([C@H](Br)c2sc(Br)c(C)c2Br)c(Br)s1 2050330500 DIVFJUJXBPOUIE-ZETCQYMHSA-N 538.950 6.847 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2C[C@@H]3CC[C@H](C2)O3)c1Br 2060983662 XMSCGAAHYUJGLL-AUYINJEUSA-N 523.910 6.429 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@H]2CCCCO2)C[C@@H]1C[C@H]3O 2070206446 QENLZIAWWAHCNU-WQHCBWFBSA-N 590.962 8.493 50 10 KKGE CCOC(=O)C12CCC(CI)(CC1)O[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2080420401 NIEVRUZXKYVXFH-OOHWJJMZSA-N 536.250 6.093 50 10 KKGE Fc1cscc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493834 HOUNVKOIHKZKQA-LLVKDONJSA-N 542.287 7.265 50 10 KKGE CCC(CC)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497273 ZXTKLLPJIDGDNC-JTQLQIEISA-N 526.332 7.843 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1Br)c1ccc(Br)cc1 2092336622 ZRGQDFAZJVRIEP-LBPRGKRZSA-N 511.877 6.695 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1c(Br)cccc1Br 2117891588 NNWVNKRCEWHPNL-SNVBAGLBSA-N 503.016 5.325 50 10 KKGE CO[C@@H]1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265858 COZPKMWJQWILGD-ZXFLCMHBSA-N 541.925 5.912 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1I 2142285816 VCDICLYPQKAKAJ-XLKFXECMSA-N 559.865 6.451 50 10 KKGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)c(Br)c2)CO1 2179957069 YHNAMCGFULOHSZ-QGZVFWFLSA-N 517.283 5.102 50 10 KKGE Cc1cc(F)ccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405203 HLEAXFCRZHHFAE-CQSZACIVSA-N 550.285 7.512 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206405669 OFFCJOGQCMLBEX-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE FC(F)(F)C[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2212199425 CFTMMLXEHWNALT-VKHMYHEASA-N 509.805 6.294 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cccc(F)c2I)c(F)c1Br 2236112371 TWYDJYQSUNUXHH-SNVBAGLBSA-N 523.887 6.094 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1C 2237634217 VKUONCBXIPRWNC-SNVBAGLBSA-N 542.345 8.334 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1cc(Cl)cc(Cl)c1 2240917549 RKLNTGITSNYBJP-NSHDSACASA-N 505.834 7.336 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263513645 QCFACAKIHWUOJO-VIFPVBQESA-N 538.324 7.368 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)s1 2264607714 PPOGCHOOCJPAAL-SECBINFHSA-N 509.510 7.009 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277960236 GFIGNODIQNSLSQ-ZDUSSCGKSA-N 518.389 6.478 50 10 KKGE Cc1c(CBr)cccc1NC(=O)c1cc(Br)ccc1I 2283550938 BXTBOIWHRUSPAP-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1csc(Br)c1Br 2295378854 UIWXMYKBPGUJGT-NSHDSACASA-N 523.899 7.334 50 10 KKGE O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl 2296270514 PDTHUFLUDMJBIS-UHFFFAOYSA-N 528.870 5.089 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296751850 DQBJVORETXRNIH-UHFFFAOYSA-N 509.341 5.872 50 10 KKGE Cn1ncc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1I 2299536582 ZIXLDPUZBGCCKB-QGZVFWFLSA-N 562.043 5.851 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2ccc(I)c(Br)c2)s1 2300994526 NWQMQYLIQPVCHI-SNVBAGLBSA-N 573.846 6.701 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 2313518773 RYSXKQGEHGZCRQ-UHFFFAOYSA-N 556.254 6.735 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521564 XBLYBAXZJHGOCC-UHFFFAOYSA-N 536.382 5.558 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 2313566967 FLPXHGNVVXQFFL-UHFFFAOYSA-N 551.090 6.582 50 10 KKGE Clc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314449888 UILOFMLWLOILII-IBGZPJMESA-N 501.045 7.819 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 2314479327 NPLYLPDZXVAVED-JOCHJYFZSA-N 607.157 5.952 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@H](CC)C2 2314572274 XLEKMYLVTQKJHD-INIZCTEOSA-N 519.579 6.154 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618172 INIKGWUVEYZXJA-RUZDIDTESA-N 619.747 5.923 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314621127 ZDXFOYIEFIFRBW-UHFFFAOYSA-N 573.049 5.527 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314640632 FSCFLNJDHVUBGE-PMERELPUSA-N 510.590 6.101 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 2314760010 CMSDOEAPFYZYQH-JOCHJYFZSA-N 536.584 5.942 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)ccc1F 2331322495 DUSTWBFCFJJXBW-UHFFFAOYSA-N 518.035 6.036 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414345 YOJITXNDCBCBQG-UHFFFAOYSA-N 505.042 8.774 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)ccc1OCC(=O)N(CC)CC 2331429701 UMEZINFYJKCHSB-UHFFFAOYSA-N 505.640 5.837 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2csc(Br)c2Br)c1Br 2337082112 HQJQNHGUGSWKRC-SSDOTTSWSA-N 621.183 8.075 50 10 KKGE Fc1c(Br)cccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223373 HJJUTOFALQEGGR-LLVKDONJSA-N 509.797 7.234 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2364064439 RPQSYJUPWKTWRX-LLVKDONJSA-N 529.896 6.117 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365216925 ZJROQAKQRORETL-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Cl)cc2I)c1Br 2365596797 BGXSHXITMCLBBR-JTQLQIEISA-N 515.947 7.116 50 10 KKGE COc1ccc(Oc2ccc(C=NNC(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)cc2[N+](=O)[O-])cc1 2632160 ZOMIUOJEHVFYMO-UHFFFAOYSA-N 553.600 6.328 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38685016 YRRWJZRCNVUACF-SSEXGKCCSA-N 502.570 6.041 50 10 KKGE N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59255748 SQYKXFXXZWIXMD-WOJGMQOQSA-N 501.302 6.593 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cc2ccccc2o1 59304791 HTNWWKPPJXAHLV-IPBVOBEMSA-N 508.188 7.389 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSS(C)(=O)=O 72399918 AYGYFESGGGAWOZ-UHFFFAOYSA-N 617.147 13.963 50 10 KKGE in-vitro CCCCCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)cc1 97914766 KNRXXCLBHMSXQG-ROBZXWEHSA-N 531.181 7.340 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(Br)c2)cc1Br 100172596 OQASZKSNJNBEAG-UHFFFAOYSA-N 528.241 5.254 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100226349 JBWPMGDBIDTYSZ-VCHYOVAHSA-N 593.248 7.121 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 100237309 PFDKRFZDNJTVNG-ZSYYNXLFSA-N 556.015 5.589 50 10 KKGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1C 100921841 MDSCZOCUESSIQL-DOPJRALCSA-N 508.092 5.928 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101337050 RZWACIPTIQOAHT-XFAVVLCKSA-N 564.686 6.044 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101339743 FXVFFWAUBFFGGH-KZJCWCHPSA-N 584.632 5.692 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381146 TXDGOVCVBPYHRI-HKBQPEDESA-N 587.459 7.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385470 CLCTYZDRDDYNRT-BHNGRWRESA-N 604.703 7.297 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101385542 BWQFUDCRUASZFU-PMERELPUSA-N 553.014 6.673 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101385997 BVKYDHWKNSWYPS-PMERELPUSA-N 553.014 6.673 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389710 IOXJSAPAQPEYAO-JGCGQSQUSA-N 585.031 6.823 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101390740 BABUJHLYMVVWFT-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)oc2ccccc12 101390909 DOEURUWIEQNYSZ-SSEXGKCCSA-N 528.564 6.758 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101394794 KVDFIKHQZXUFDK-HKBQPEDESA-N 566.654 7.455 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1 101399267 DPAVZQWWFJHUSU-WJOKGBTCSA-N 607.018 6.471 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609921 XBDMPKHMKARPHN-XBQJKBNESA-N 545.561 6.848 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc2cc(Br)ccc2o1 101822712 GNLKIBQZSUZFBW-RQZCQDPDSA-N 521.323 5.239 50 10 KKGE COc1ccc(-c2nn(Cc3c(Cl)cccc3Cl)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1OC 102356525 FVCGCOISWMXBHY-RGVLZGJSSA-N 548.430 5.541 50 10 KKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 102416759 OXWBIDZHYZBFOB-QOYCNBSOSA-N 503.889 6.399 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc2ccccc12 109467291 SKBJEMQUYGQPGC-HMAPJEAMSA-N 543.417 6.831 50 10 KKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 142452335 LOEANONHGYQQJW-GHRIWEEISA-N 520.467 5.368 50 10 KKGE O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(Br)cc1)c1cncc(Br)c1 150422498 ARIDRBGDSQNQLV-YCPBAFNGSA-N 627.043 5.260 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429118 RGNHRDBVANYKLC-HKBQPEDESA-N 657.575 8.932 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433850 YUGUGBUDPGOWDT-WJOKGBTCSA-N 692.020 9.585 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 159847317 BEWBSHPEVWMHNA-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1 164611821 JBVWKUGYSSXJPI-IPBVOBEMSA-N 719.086 6.887 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1OC 169691464 ADEBGCPTCVGTOS-MNDLBQGCSA-N 521.485 5.403 50 10 KKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 206987188 DWEKZWRFKSYEII-QJOMJCCJSA-N 513.594 6.071 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214258330 VGVMMVKMIQNAQS-KWAZPOIMSA-N 556.666 6.818 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 214285451 NGXDBRAEHAYLIW-JLPGSUDCSA-N 528.584 5.096 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C2=O)cc1 214401859 ONIBBIIDYAEIDC-NHYZDEDTSA-N 620.709 6.962 50 10 KKGE C/C(=C\C(C)C)[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@]21C 248181105 YRBTULYADOAUMR-VCAOEHPKSA-N 645.017 9.831 50 10 KKGE CCN(CC)c1c(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C)nn1-c1ccccc1 253575079 UESQCNSWHKQCHC-ZCTHSVRISA-N 512.589 5.182 50 10 KKGE c1ccc(-c2nn(-c3ccccc3)/c(=N/c3ccccc3SSc3ccccc3/N=c3\sc(-c4ccccc4)nn3-c3ccccc3)s2)cc1 253576703 WDQIEEPMDHOSHB-FSVNFQGMSA-N 720.974 10.779 50 10 KKGE Cc1ccccc1C(=O)NN=C1C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21 254423966 QOFRCDRFTLFTNL-WINIVTDRSA-N 523.475 5.096 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CBr)CC[C@]4(C)[C@@H]3CC[C@]12C 254511170 VJBCNYHZXKGYLM-INSCYUFDSA-N 509.613 8.414 50 10 KKGE O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 254600705 IJKIHQNRBYGLKV-UHFFFAOYSA-N 573.678 5.724 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 254765986 TZISFNSPQIWXNZ-UHFFFAOYSA-N 537.320 5.722 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(Cl)c(Cl)c1Cl 404903865 CBLOMRYGHGYJMX-JTQLQIEISA-N 545.256 7.996 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 504409784 ZKUCDSCKSARUCE-OQBQRHRWSA-N 826.968 15.850 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Br 701098760 NXEVVIOHIZGVGY-LLVKDONJSA-N 522.352 6.470 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1scc(Br)c1Br 705449311 YPMYTUJBDUEPOV-SNVBAGLBSA-N 537.868 6.668 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1 725428664 DHNIOYZDYNVRPT-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C(c1ccccc1)c1ccccc1 1084014732 SDNQCXKQSYEZQB-UHFFFAOYSA-N 673.429 7.382 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084038106 RDKDPFAKGFLCAU-UHFFFAOYSA-N 557.672 5.562 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084045717 QCHGDHJBFZEWNM-NRFANRHFSA-N 652.562 5.891 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1 1084187067 WKERIMSXUNVSCA-DEOSSOPVSA-N 637.312 5.995 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 1084377239 KSXUNNSIVAXMEF-HKBQPEDESA-N 560.094 6.689 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 1084516491 PMOAIDFWMQEPJA-RQZCQDPDSA-N 589.773 5.986 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 1084553178 JXKZMMIPKJRNKA-UHFFFAOYSA-N 574.099 5.272 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1C#N 1084568837 DEOLATJKNGWZBL-PCLIKHOPSA-N 618.475 5.396 50 10 KKGE O=[N+]([O-])c1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c(Br)c1 1614642018 KAOAFGFQPIOUNP-RHSMWYFYSA-N 501.162 5.008 50 10 KKGE CC(C)[C@@](C)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1775963101 SQOWQPPONOQYNA-DVSFJKNPSA-N 530.954 9.779 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OCC 1865690859 CUGHGMQRQNYHFK-SANMLTNESA-N 521.061 6.664 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865692766 PDVAAVWCKXFREG-RUZDIDTESA-N 565.512 6.361 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865694960 GTSQYNAUFHKDQZ-HKBQPEDESA-N 572.640 6.852 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OC(C)C 1865696014 BGBVEFNYXHDAHU-IBGZPJMESA-N 504.896 5.558 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OC 1865696157 XSZSXLKVGYIIBQ-VWLOTQADSA-N 528.996 5.827 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865702710 ZYJZCXCQHHPWAZ-HHHXNRCGSA-N 558.057 6.464 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccccc1C 1865703713 ZZSKTFKSEIXXMC-QHCPKHFHSA-N 526.559 6.062 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706047 MKEHSACZLTXPHL-LJQANCHMSA-N 504.761 5.911 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)OCc2ccccc2)c1C 1866131832 PMHDGPPYCSXSNP-XDHOZWIPSA-N 553.434 5.898 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)c2ccccc2)cc1 1866876500 HTRUXKZBNPMIIL-ILBGXUMGSA-N 515.664 5.094 50 10 KKGE CCCC[C@@H](NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207565 JMKAMCRUPSCFOE-JTHBVZDNSA-N 546.531 6.474 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NCc3ccccc3)nc(-c3ccccc3Cl)n2)cc1 1868415270 WDYJBBPIRAWEJU-VWLOTQADSA-N 541.080 6.399 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)c1 1868506014 PDAPHXGKRDAIFT-VWLOTQADSA-N 528.682 5.887 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)n1 1872747147 PKJKMAJEQDZIEM-CLCOLTQESA-N 513.962 6.223 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 1872758378 XPLHTTVKCGRIFP-HMWBEYIWSA-N 517.607 5.458 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)cccc2Br)c1Br 1922932261 KDEJIZINWITVRM-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2COc3ccccc3O2)c1Br 1924601498 XXIMZPNRFIGUPO-SCZZXKLOSA-N 547.888 6.312 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1I 1924605884 YFAHYUHFWPEONO-ZCFIWIBFSA-N 575.289 5.702 50 10 KKGE O=S1(=O)CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924616004 JSAZVZPTHQYOAJ-IYSWYEEDSA-N 545.938 5.296 50 10 KKGE CC(C)[C@@H](Br)C(=O)Nc1cc(Br)c(I)c(Br)c1 1946433491 AERUQJNFJZGMFZ-SECBINFHSA-N 539.831 5.174 50 10 KKGE CC[C@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995046981 CETYFRBJTAJTLR-CDUCUWFYSA-N 542.729 7.219 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1)Cc1ccccc1 2009710856 PDSOWARFQXDMGQ-UHFFFAOYSA-N 566.359 5.667 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1 2053466435 AIABFNNZLIKKNE-UHFFFAOYSA-N 549.012 5.412 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(Br)c1 2094091210 QHTDTYISPAUNND-CQSZACIVSA-N 513.849 6.467 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 2198736809 IQCALWCAGOTTJY-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE COC[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206396329 VOBGYEAQPOBWST-CHWSQXEVSA-N 556.314 6.212 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(CC2CCC2)CC1 2206396722 AHYBGZITOAWJGQ-AWEZNQCLSA-N 550.354 7.987 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(Cl)c1Cl 2207263422 XHXCWFMQVDHWKG-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225635353 VAPQJLMBFAAHAV-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Brc1scc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229725728 PADAOPJDQHXIDB-NSHDSACASA-N 531.889 6.455 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccccc2OCc2ccccc2)c1 2263517235 NNIOYYFRCWFZSA-HXUWFJFHSA-N 525.078 7.469 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198245 MWCRQUKKABOSIE-RUZDIDTESA-N 502.039 5.434 50 10 KKGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295945904 SDNBAJCWGZNXBT-UHFFFAOYSA-N 568.405 5.459 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1 2296732238 MAAVIBOHYOJHJH-UHFFFAOYSA-N 510.667 5.741 50 10 KKGE Cc1sc([C@H](Br)c2sc(Cl)cc2I)c(Br)c1C 2301084583 VNLBOUXRWYMUDP-SECBINFHSA-N 526.484 6.931 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 2313567854 MKTKXSIXMIRLCV-UHFFFAOYSA-N 591.218 6.626 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591871 GNQIWCXAQLERHE-DEOSSOPVSA-N 538.456 6.457 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591978 IVXYSDYBRDJTJU-VWLOTQADSA-N 552.483 6.629 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592405 SNZOISCNJVYFMU-VWLOTQADSA-N 570.036 7.295 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OCC)cc1 2314592808 CATYMYWKJGQTNW-OAQYLSRUSA-N 502.423 5.121 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C(C)=C(C#N)C1=O 2314610023 CDLSUJTVOAXMRA-UHFFFAOYSA-N 550.703 7.199 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616463 BFADOOQLSITXAQ-UHFFFAOYSA-N 543.019 5.771 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314618508 ORPSLXOMABQTRY-GDLZYMKVSA-N 605.094 6.543 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634777 KRKWFZIXUXGELL-JGCGQSQUSA-N 573.089 7.535 50 10 KKGE BrCc1cc(Br)c(OCc2nc(Br)cs2)c(Br)c1 2320004630 NGPHSHMZGWXNFQ-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1C 2331259248 GWDRIBUORTUGEH-FQEVSTJZSA-N 519.623 5.028 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364703 XMIHICIJBQXXLD-IBGZPJMESA-N 501.608 5.676 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414321 WUUYUYUGPCWCNS-UHFFFAOYSA-N 505.042 8.774 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccccc1 2331478504 PHCAREWVXKPOKI-UHFFFAOYSA-N 508.687 8.458 50 10 KKGE COc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336082481 AJMCYBIIISVKCQ-NRFANRHFSA-N 541.077 7.284 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364072487 WGKLYHFVUNFLJR-SECBINFHSA-N 507.835 5.698 50 10 KKGE Fc1cccc([C@H](CI)OCc2ccc(I)c(Br)c2)c1 2377620616 BCYNDPYRWOXOLD-HNNXBMFYSA-N 560.970 5.886 50 10 KKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14038764 SJFPJLHVGQCIAG-SFHVURJKSA-N 525.443 5.407 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655574 FMDQMCNMILMWJD-SANMLTNESA-N 509.389 6.319 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c(OC)c1 38657215 ZHJDRFUJXSLFCS-SSEXGKCCSA-N 518.569 5.659 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 38680766 KXXDRVYKVASBRW-FQEVSTJZSA-N 500.269 5.478 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40827008 VSGOQZGGDCIVBE-IWBSIUBASA-N 526.633 7.001 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 58889481 PZUWJAQMNGEWGG-IPYFEQEDSA-N 502.354 5.445 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 58889508 LYUPLQGLWRAOOK-CNIQOEEMSA-N 507.417 6.690 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1C#N 58895291 NTGPXOBNVCJEEN-DLOXVRGRSA-N 527.621 5.237 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)COc1cccc2ccccc12 100061588 USXCTLAEJAOBSA-UHFFFAOYSA-N 558.226 5.123 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 100452791 ZCXCDJRKNPAEOI-CIGKTAFOSA-N 554.428 5.563 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065488 WYWVERLDETYGBN-MHTZHOPKSA-N 570.487 6.664 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244753 KLBZZWDSFFYIDM-NLTRVXJZSA-N 537.563 6.169 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 101334696 QVTIQPKUOXNBTI-VUTHCHCSSA-N 536.676 6.747 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101336709 NXKIXZQLYGTXJL-FDAWAROLSA-N 584.607 6.643 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 101340285 DSGZMIRGKHKDRI-KGENOOAVSA-N 507.373 6.097 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101362535 MJYQVGGATREQRB-GDLZYMKVSA-N 587.459 7.408 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 101372178 UPRGDBXJNFKKEM-NDEPHWFRSA-N 543.576 6.000 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccccc5F)ccc43)cc2)cc1 101378732 PFQMXHWISLWPEC-BGOLNKOXSA-N 550.586 6.304 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379727 VIDGVJBURKSTGM-IJWQSINWSA-N 565.025 6.765 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380936 FFKWSLLBGVETAM-MGBGTMOVSA-N 578.640 6.905 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381558 WPNYSHQKRHXTOG-ILZHQVLHSA-N 534.999 6.756 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383563 PWNQJKGHBRYRJG-HKBQPEDESA-N 548.614 7.140 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383838 BAKZIQUJPFANOJ-MGBGTMOVSA-N 578.640 6.905 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102772208 YDYXGQMPJQRNPF-YMGIJWJESA-N 536.426 5.962 50 10 KKGE COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C 103071077 JHPNEERZFLIOCL-BKUYFWCQSA-N 535.563 5.284 50 10 KKGE O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103729265 AMOHZNKVWJVEJW-FTFSGFEDSA-N 558.294 6.668 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1 103742592 MFRPSUDIVXXUBR-GPSDDGMOSA-N 536.426 5.962 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1 103878254 HXZZHDLIFKXIEU-XPGZBYHPSA-N 569.705 7.923 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2Br)c1 103879618 FNWYCSONIULXFR-UVHMKAGCSA-N 542.227 6.609 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N 103881046 UDWVQPHHDHTWIS-FDALDRLYSA-N 619.519 7.438 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)N/N=C/c1ccco1 106525587 NGAWAOZQDUJGMK-ORCNLAPZSA-N 590.640 6.006 50 10 KKGE O=P(C[C@@H](CCCCl)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 108801135 PPLLYFHVOGNPJV-GDLZYMKVSA-N 506.950 6.402 50 10 KKGE Brc1cc(Br)c(O[C@@H]2C[C@@H](Br)C23CCCCC3)c(Br)c1 117316393 YFMWMTKCBFQBCB-CHWSQXEVSA-N 531.908 6.839 50 10 KKGE CCCCCCCCCCCCC(=O)N/N=C/C1=CC(OCC)=C/C(=C\NNC(=O)CCCCCCCCCCCC)C1=O 137887534 QBWKLVKNLZHRAB-LBCRINMBSA-N 614.916 8.645 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 150418986 WDVPDIUGONYXRG-UHFFFAOYSA-N 641.769 5.201 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 150462085 AREOVJVNOUCSKM-DEOSSOPVSA-N 694.757 8.874 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498106 PIKWKHDGTODQHV-RMCZZWAESA-N 649.748 5.891 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 214342840 HSNQLSMDOVXMON-UEKTYDJUSA-N 500.639 6.788 50 10 KKGE CC(C)Cc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 232619319 DTVSXTIOMCYCLX-KRWDZBQOSA-N 508.035 6.737 50 10 KKGE O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)c1cc(-c2ccc(F)cc2)nc2ccccc12 254347093 FMJRZBQLBZAPDB-UHFFFAOYSA-N 501.411 6.008 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)c3ccccc3n2)cc1OC 254523302 YALPQLGMQBNPCY-UHFFFAOYSA-N 636.524 6.844 50 10 KKGE Cc1c(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 254806462 TVRSFXWGCHEMRR-FOLSGWHXSA-N 555.682 5.985 50 10 KKGE CCCC[C@@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 257421405 FYBKUFIZQMYJHP-OISDAAOVSA-N 653.728 10.481 50 10 KKGE Brc1cc([C@H](Br)c2ccccc2OCc2ccccc2)c(Br)s1 309883873 XZGOSORFEFFHOE-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H](CCc1ccccc1[C@@]1(O[Si](C)(C)C(C)(C)C)CO1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3[n+]2[O-])c1 504115984 HQTBZBIQHAKJLB-LVGBNBTGSA-N 702.484 11.198 50 10 KKGE in-vitro CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 725383731 BZZGURJXHYNGBX-DEOSSOPVSA-N 570.300 7.242 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 725418576 WGJNSBKDIXMVGE-UHFFFAOYSA-N 563.123 6.217 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(Br)cc1 1083894239 OJEPNVBGOAWSBR-UHFFFAOYSA-N 531.179 5.032 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(I)c1 1084109950 ZEOSONDMTKUBPG-UHFFFAOYSA-N 562.205 5.971 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1 1084128906 ZWEMHBONBFMCII-CXUHLZMHSA-N 566.666 7.543 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1084150578 PFDKRFZDNJTVNG-RUZDIDTESA-N 556.015 5.589 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1F 1084191315 WEHSUAYRANLAKQ-UHFFFAOYSA-N 637.904 5.859 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084191861 YONQNZKMMUYTNR-UDWIEESQSA-N 605.747 7.244 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)c1C 1084231323 LNERMKPINOXQHX-NDENLUEZSA-N 540.255 6.953 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 1084241843 JIACZTCHEARAMA-NDEPHWFRSA-N 687.372 7.149 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 1084274050 CRWRDTSVCVWWJJ-UHFFFAOYSA-N 735.541 7.401 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1Cl 1084301750 NQMDFARHIOILAZ-CXUHLZMHSA-N 522.215 7.433 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)c(C)c1 1084358276 JZRXNHFXMHJQQV-UHFFFAOYSA-N 556.732 6.058 50 10 KKGE CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=NNC(=O)c3ccccc3)c3ccccc32)cc1 1084404334 DKNJCXNFEYEIPD-WTAMDMGESA-N 541.607 5.052 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1 1084542454 YBUCZNZKQDVPQE-UHFFFAOYSA-N 503.396 6.575 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 1084566727 CTBJULGVRSMAGZ-DEOSSOPVSA-N 559.432 5.538 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1 1084581041 HTXAETAYAHORCC-WOJGMQOQSA-N 637.699 7.230 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 1614653113 INSFIMUXLILDJM-YDSZJCRXSA-N 551.756 7.456 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746027 ODQWPMRMOAFIHU-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865687063 IMHJAGUBWHFQGS-MHZLTWQESA-N 500.643 5.906 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(Br)c1O 1865687980 FVUXCKLOMLMMKR-HSZRJFAPSA-N 561.411 5.822 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865691543 VEYHQQDJGCHCAU-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865692690 OTSSJZZVTKOZLQ-DEOSSOPVSA-N 551.485 6.052 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccc(F)cc3)cc2)cc1 1865693692 PZAYSMDNVFBMLB-PMERELPUSA-N 542.614 6.843 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696618 IRZYYYOIYJQLSX-HHHXNRCGSA-N 540.595 5.760 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701478 WLVFTTKPEADRGK-DEOSSOPVSA-N 528.996 5.496 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706751 DVDGRFWEFUBSPL-NDEPHWFRSA-N 573.694 5.079 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708020 LUXMJIIQNAHQRO-JOCHJYFZSA-N 517.358 5.668 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712091 PIYXDWVHPKZDGL-QHCPKHFHSA-N 527.924 5.090 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866767162 PYMUPECSKJKAEK-IAPPQJPRSA-N 549.737 6.894 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2ccccc2OC)n1 1868253217 CNXPDLXJXXTRCQ-PMERELPUSA-N 523.662 6.143 50 10 KKGE Cn1cc([C@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)c2ccccc21 1868433380 KAWYLWUUPQOXNS-NDEPHWFRSA-N 566.090 6.283 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868455816 CQMWBFLKPFUROO-XMMPIXPASA-N 518.017 6.831 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c1 1868566186 VXKDNQDTTCGBIY-UHFFFAOYSA-N 501.619 6.897 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1c(Cl)cccc1Cl 1872728779 SVJWNMFOUPVASX-WOJGMQOQSA-N 550.398 6.471 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)N/N=C/c2cc3ccccc3n2C)cc1 1873496966 GURAKEDXRZJWTH-VVNQULFPSA-N 524.665 6.595 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(Br)c2Br)c1Br 1922929898 MYNKYFYVSWNEDP-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1923066180 MONNHXXOVNNAKH-SECBINFHSA-N 538.324 7.482 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1c(Br)cccc1Br 1924063173 NHZCJVJITMGWAI-RTHLEPHNSA-N 512.865 6.609 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924604778 HWPJPEAQPVOCNO-BKPPORCPSA-N 509.927 7.298 50 10 KKGE CCCCC[C@H](O[Si](C)(C)C)[C@H](CCC[C@H](O[Si](C)(C)C)[C@H](CCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933247610 OLRCGWNXIZTGHI-KRCBVYEFSA-N 651.239 9.741 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c1C 2082883211 DPFRAMVWLWBRNE-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE CC1(C)CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493575 DJDOIRAEEHCNNA-JTQLQIEISA-N 568.767 7.609 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673090 HEAYQUNNPCPXFW-ZDUSSCGKSA-N 529.917 7.397 50 10 KKGE Cc1csc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 2100814624 KPIRUOCTEXOBLE-GFCCVEGCSA-N 514.020 5.843 50 10 KKGE CC(C)(C)[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 2111375323 WSWHGPWYBGDKMO-WDSKDSINSA-N 503.472 7.680 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC[C@@H]2C[C@@H]21 2141468988 PWYQLRNXTFGOOT-IJUVOGGTSA-N 536.327 7.453 50 10 KKGE FC(F)C(F)(F)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471292 PYRCGUSYAVOOAG-RXMQYKEDSA-N 600.662 7.463 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 2169464703 QVBVMIIFYMDMMM-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1c(Br)cccc1Br 2203002747 PWQUVMCNESONSZ-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE Cl[C@H](c1cc2cscc2s1)c1c(Br)c(Br)cc(Br)c1Br 2206394748 JFDSBAAZVCEKAZ-CYBMUJFWSA-N 580.386 8.341 50 10 KKGE O=S1(=O)C[C@H]2C([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206397209 GOTWOTCLQWYBFQ-QKCHBMAPSA-N 572.338 5.307 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)cc1C 2227733757 WBEYASALOFHQPU-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Cl)c(Br)s1 2247957623 KNHGAEZYFJHCKV-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Cc1ccc(-c2ccc(C=NNC(=O)C(=Cc3ccc4c(c3)OCO4)NC(=O)c3ccccc3)o2)cc1Cl 2293692824 DFTWKDSBPIWLON-UHFFFAOYSA-N 527.964 5.558 50 10 KKGE Fc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)cc1Br 2295265455 RLEUVIHZKUUHCV-NSHDSACASA-N 533.830 6.931 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccccc1Cl 2313521597 YKOOYVZDAOTGSL-UHFFFAOYSA-N 594.674 7.749 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1 2313571187 PGYUMGGSFDSADH-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592800 BYAXJAHGPUULSB-NDEPHWFRSA-N 509.675 6.115 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314611484 VGOZGTVSIJHDJX-UHFFFAOYSA-N 577.084 7.020 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C(C)=C(C#N)C2=O)cc1 2314617270 VANSBOAKYSUHCU-UHFFFAOYSA-N 572.665 6.436 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620547 QHUYHAWRMTXCGE-UHFFFAOYSA-N 551.401 6.513 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 2314646851 RILAZBOXHAPJSQ-GOSISDBHSA-N 583.449 5.179 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C(C)C 2331356066 KIUKDWLGNJMHBL-UHFFFAOYSA-N 518.551 5.248 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336041984 SFQRCAIWBJGFGB-HXUWFJFHSA-N 502.580 7.444 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362251166 MTMCMQKFBWGNPO-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCCC(F)(F)C(F)(F)F)C1 2362726647 BWBOSBOWKJDLHQ-OAHLLOKOSA-N 515.301 5.576 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2scc(Br)c2Br)c1Br 2365225598 LIYJFSAQASEKPA-NSHDSACASA-N 568.350 7.443 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Br)cc2Br)c1 2366890136 YIOYMGIVESZKJJ-AWEZNQCLSA-N 501.871 7.587 50 10 KKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(Br)cc1OCc1ccc(Cl)cc1Cl 6905883 VECCMXGGXCDTAM-NVMNQCDNSA-N 595.284 7.047 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38681126 CYGDBLKKSBAHNS-GDLZYMKVSA-N 512.562 5.079 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 58893768 TWQYZNMCMTUKPE-PVYGGJOHSA-N 525.443 5.699 50 10 KKGE CCOC(=O)c1ccc(/N=C(O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 97437066 KYOMJMPBAWEAKT-GUNDDFSMSA-N 515.566 5.717 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100062899 ZPJPYEMYJBIKAB-MRXNPFEDSA-N 528.436 5.772 50 10 KKGE CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 100071270 WPDZVLFDAUNWGG-PTNGSMBKSA-N 507.369 5.614 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Br)c1 100084501 YEBVBVWERFRQQX-UHFFFAOYSA-N 552.469 5.401 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065552 JHVOVIAMRZMHKH-LQKURTRISA-N 535.225 6.380 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242081 OWLOHQJMYPZUCJ-YDYXIROLSA-N 526.445 5.891 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101335994 WLUHOOQHKNTJQZ-NJZRLIGZSA-N 572.665 6.137 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362528 RWZRBTIYHPZKPF-UUWRZZSWSA-N 538.603 6.785 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 101372383 SRRNNCAKRRFLFL-PMERELPUSA-N 542.632 6.490 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379083 PVGHNKVYVQLLTG-ZBJMMJAPSA-N 534.999 6.756 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101390462 DTOKCKHCRAPRCV-DEOSSOPVSA-N 531.362 5.950 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101392993 OPMLTOJPOACNQF-HHHXNRCGSA-N 575.086 7.488 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCc1ccccc1 101727171 SIKLGFDRQRDVJJ-OCSSWDANSA-N 596.572 6.835 50 10 KKGE CCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 101727467 XYSYHJKAPMUHBT-UVHMKAGCSA-N 582.973 7.046 50 10 KKGE N#C/C(=C/c1ccc(OC/C=C\c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102327699 RAQDXTHIOMYXBG-FFIPGWEXSA-N 542.642 5.582 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2cccc3cccnc23)c1 102350057 BJNDOVFVBBGCKF-HMAPJEAMSA-N 555.656 6.730 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 103726432 GBLIMZNIDOFZOY-WJDWOHSUSA-N 539.997 6.559 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1Br 103749426 BOIUIVQOXQRJRS-BIZUNTBRSA-N 606.542 6.234 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1 103876906 CROCKFPMBXCMMN-WKULSOCRSA-N 523.814 6.920 50 10 KKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103877292 HHDXBHPVFRCWES-FDAWAROLSA-N 548.868 7.197 50 10 KKGE CCCCCCC[C@H]1[C@@H](CCCCCCCCCN=C=O)[C@H](CCCCCCCCCN=C=O)CC[C@H]1CCCCC 113977509 AMUBKBXGFDIMDJ-KMJUKGKLSA-N 586.990 12.099 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1Br 128739198 MYLQKTDFYGMLGR-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 150382766 CDSWNRZKYPQLHT-IPYFEQEDSA-N 638.256 5.505 50 10 KKGE c1ccc([P+](Cc2ccc3c(c2)CCc2cc(C[P+](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2-3)(c2ccccc2)c2ccccc2)cc1 195818262 MTSBHGJEKQZGDL-UHFFFAOYSA-N 730.872 10.440 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OCC)c1 206288938 KAJBXEXUFSDFOV-BTYDHXOYSA-N 527.573 5.762 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C\c2ccccc2)cc1 252607310 GZYJQDOVYJGLBX-YZRCNQLTSA-N 545.481 5.842 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)ccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254713247 CNVDPUIAZYVVGJ-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE CCOc1ccc(Oc2c(C=NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)c(C)nn2-c2ccccc2)cc1 254736239 LOMQJDMADMCRIN-LJQANCHMSA-N 514.651 6.322 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CCCCC(=O)NN=Cc3ccc4c(c3)c3ccccc3n4CC)ccc21 254756795 HOOHWUOHMYUVFU-UHFFFAOYSA-N 584.724 7.103 50 10 KKGE COc1cc(Br)cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccccc3C)n2-c2ccccc2)c1O 254822609 DWCXZFUDJKSISZ-SFHVURJKSA-N 595.523 5.295 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cccc(Br)c2Cl)c1Br 312291069 PZMFNUKPBMPRBL-MRVPVSSYSA-N 513.398 7.430 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2Br)C1 382686645 GDLILSFAGZIPMC-GXFFZTMASA-N 500.602 5.488 50 10 KKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1I 382705969 SVGIUOXSQPODAO-QZTJIDSGSA-N 514.201 5.347 50 10 KKGE C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](OC(=O)[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]32)O1 575232023 ALHDGNSPBBXBJX-AWHBKHPGSA-N 981.707 14.369 50 10 KKGE in-vitro Brc1csc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 705478475 XDTJHXUACVLLAO-LLVKDONJSA-N 545.916 6.845 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1 725419796 YDJSCPBYQXMDQZ-XMMPIXPASA-N 606.432 5.381 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 1083885633 BFHPXIMGSGDZSY-UHFFFAOYSA-N 619.143 5.050 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccccc1 1083909183 APQRQVYIDDSRLC-UHFFFAOYSA-N 500.336 5.033 50 10 KKGE Cc1c(Br)ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1C 1083995681 FBUSNIURMNAXHL-FMCGGJTJSA-N 600.513 8.248 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSc3ccc(Cl)cc3)c2C)cc1C 1084216052 XHDRBYMZBKUAKV-UHFFFAOYSA-N 504.881 6.369 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c2ccccc2cc2ccccc12 1084357464 QQMPLQKIWGFOCH-UHFFFAOYSA-N 541.080 6.278 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084496901 FRRZFBRBNDZBNV-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCOCC4)cc3)c2C)c1 1084529778 PADKUVPBRVAPEN-UHFFFAOYSA-N 523.475 5.070 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1 1084529862 LAONGQGYWSKEGM-UHFFFAOYSA-N 565.194 6.687 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084573642 SSDAEMQXTMATLE-UHFFFAOYSA-N 535.431 6.069 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084591239 SBUMYUXNOZVCEC-UHFFFAOYSA-N 603.959 6.396 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744841 LAFJESHCLSJMRA-UHFFFAOYSA-N 507.521 5.955 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2)c1ccccc1 1772748916 PEVGYUUAGHSFSO-UHFFFAOYSA-N 505.618 6.243 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 1772756129 ZGHZIAOVONIATA-UHFFFAOYSA-N 511.416 5.437 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 1772760369 GPOJHGQMAIFYRQ-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686974 GPUHHPHTRNKJBD-DEOSSOPVSA-N 516.960 5.632 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865688803 BDTVXVOQPZDDPA-LJQANCHMSA-N 504.896 5.560 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865691287 ONCQKWXJVYHXDH-VWLOTQADSA-N 507.034 6.274 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865701106 MCWKKEKROZQUMA-MUUNZHRXSA-N 527.024 6.007 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702546 WRKQDQOHWNAXJH-RUZDIDTESA-N 559.439 6.344 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704654 AZZWZQWYGXMPTO-NRFANRHFSA-N 502.452 5.328 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866128748 JTFDDVMJAIULPT-XSFVSMFZSA-N 534.410 6.044 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730424 VPIONOZLJLFIGH-FTJBHMTQSA-N 527.646 5.281 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866750680 MUNRHUITWQIIEY-FTJBHMTQSA-N 524.061 6.548 50 10 KKGE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866850056 ITDXXVFAVLCKKK-HSZRJFAPSA-N 512.433 5.054 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccccc2Cl)cs1 1872746281 ASMXUEFTHBDRIH-NKFKGCMQSA-N 518.381 6.867 50 10 KKGE CCc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1877188099 LUJYQWLDTWKAJS-MRVPVSSYSA-N 556.343 6.422 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595135 VAPAVHRNBNTOII-IYSWYEEDSA-N 545.938 5.439 50 10 KKGE CN(CCN(Cc1ccccc1)c1cccc(Br)c1CBr)Cc1ccccc1 1931968114 ZOFWUWFANADYHH-UHFFFAOYSA-N 502.294 6.483 50 10 KKGE CCCCC[C@H](O[Si](C)(C)C)[C@H](C[C@H](CCCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C 1933278098 SOGDCAWGODWBMZ-QKDODKLFSA-N 563.057 8.911 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Br 1995046482 FGIMIAGVBWVYPF-UKGLUQRTSA-N 541.701 5.520 50 10 KKGE Clc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2004901473 ADFGMEJRBKIJLW-RXMQYKEDSA-N 520.320 7.732 50 10 KKGE CN([C@H](c1ccc(C(C)(C)C)cc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@@](=O)C(C)(C)C 2080770180 ACQAWZGNHSXJLA-MFFDSURZSA-N 673.903 9.657 50 10 KKGE C[C@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141472040 ZECQMPVBIOAIKG-UBJUHAIHSA-N 582.794 7.999 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@H](CBr)C1CCC1)c1cccc(Br)c1 2163057678 DEHPCSDHNGPDHV-KRWDZBQOSA-N 504.307 5.982 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2cccc(Br)c2)c1Br 2201072465 VAFLSUDZCPQDBA-AWEZNQCLSA-N 525.904 7.270 50 10 KKGE Cl[C@H](CC[C@@H]1CCCCO1)c1c(Br)c(Br)cc(Br)c1Br 2206406388 YZZKBUWREQNKNE-GZMMTYOYSA-N 554.342 7.366 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(I)c(Br)c1 2229147854 OTDHCWBTSCSMFD-LLVKDONJSA-N 579.295 7.148 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1C 2237632118 SUXXROLSKJMZCS-LBPRGKRZSA-N 675.698 8.662 50 10 KKGE Cc1sc([C@@H](Br)Cc2ccccc2I)c(Br)c1C 2253504272 KBIYSOUGYIBMEN-NSHDSACASA-N 500.037 6.411 50 10 KKGE CCc1cc([C@@H](Br)c2cccc(Br)c2Br)sc1Br 2255981558 YCENAKQBGLOASN-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)cc1Br 2277892463 SHZHQMHSNCWPLB-AWEZNQCLSA-N 532.295 7.259 50 10 KKGE CCn1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)nc1Br 2277959549 UZLPOUJGGDOCFJ-NSHDSACASA-N 515.869 5.869 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283576443 GPRJMVQCKFQIQR-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283581026 GMTWLLAZMDQJMO-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)cc(Br)c1 2288343910 CYFHJEQRRKWCDT-NSHDSACASA-N 598.699 7.499 50 10 KKGE CCn1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)nc1Br 2288346244 IOAOLXAIOXNCJJ-SECBINFHSA-N 537.822 5.953 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccccc3)n2-c2ccccc2)cc1OC 2293485579 IFIFJJIRNOSKES-UHFFFAOYSA-N 513.623 5.249 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 2293591265 ZLEAEAUTBLVCFY-UHFFFAOYSA-N 518.042 5.812 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1 2294619890 IIPUZMMCVZTNNC-UHFFFAOYSA-N 517.192 7.002 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)c3nc4ccccc4[nH]3)cc2Br)cc1 2296649004 YTFRTXATFUPQSE-UHFFFAOYSA-N 523.228 7.040 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl 2313521478 QYZMQMTYWFKLMR-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568201 SYVBVILKPORZTJ-UHFFFAOYSA-N 618.302 6.433 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2ccccc2c1 2313571592 ZWLYXKBSIJYUTN-UHFFFAOYSA-N 551.857 8.323 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2313670678 OSNNXRKAKXFSHB-UHFFFAOYSA-N 504.373 5.948 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2314415154 ZIOQVHHEXYTMAE-UHFFFAOYSA-N 586.500 7.763 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 2314482272 FLFLBFWZXYOWMU-UHFFFAOYSA-N 510.597 7.151 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592527 WRKBCLVPAFMHQA-DEOSSOPVSA-N 564.461 5.531 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314611464 USKXSLDAFJYXLD-UHFFFAOYSA-N 504.977 5.985 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618023 GAEXJTZRFYMEOZ-QFIPXVFZSA-N 573.609 6.200 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618288 KSKKEWQJQUKBLB-XMMPIXPASA-N 542.639 6.682 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331282470 ZBSSYGLXXHZTGB-UHFFFAOYSA-N 518.551 5.376 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cccc(I)c2)c1Br 2337082359 KPGDGHCBVLJUQU-GFCCVEGCSA-N 538.807 6.937 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cccc(I)c2)c1Br 2337082360 KPGDGHCBVLJUQU-LBPRGKRZSA-N 538.807 6.937 50 10 KKGE C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1Cl 20159277 GOKABQCKEBVNGG-KKMKTNMSSA-N 505.745 5.961 50 10 KKGE N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccc(OCc2cccc3ccccc23)cc1 20533993 NFENNRFMPNAQBH-PMERELPUSA-N 520.592 7.180 50 10 KKGE C[C@@H](Cl)C(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 35706275 GGQGOUBKDBWQME-JPYJTQIMSA-N 522.030 5.495 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 38681060 XYALYDLNMUQRDV-GDLZYMKVSA-N 526.589 5.876 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 38686442 QQOMPVDVLUWQPL-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccccc1F 38687932 OYEZYCNNSVIVER-FQEVSTJZSA-N 511.361 6.785 50 10 KKGE CCc1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 40823315 NNYYPHAPSJKVKU-AMVVHIIESA-N 508.390 5.359 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 59166496 DMVVDKFADPIOQD-GXVXDJONSA-N 521.592 5.598 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261201 OEVBRYMMXXBAEF-UZWMFBFFSA-N 528.726 6.030 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2ccccc2o1 59305016 JOWUMIGHYVVDGF-KKMKTNMSSA-N 501.739 6.331 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1 100234158 FYYHWXKWHIGSRH-QHGCQYGXSA-N 560.094 6.689 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 100236780 GMQLGSUHOWZKDO-RLKJGOPYSA-N 536.028 5.552 50 10 KKGE CCCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 100870076 UGUFHHBEXLOCKT-PJJLUWSFSA-N 555.476 6.644 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242109 QXIYNMCWXLWCHK-YMGIJWJESA-N 536.451 5.347 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244708 BCIMUFXISDEFQR-NLTRVXJZSA-N 504.011 5.804 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C1=O 101333537 YXTOAEZJWWIDKY-XHLNEMQHSA-N 536.676 6.891 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 101335932 PIRUJZAYCLPBEG-LFVJCYFKSA-N 528.584 5.096 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101339008 QYUGSRWFCRPMBW-VICVKWBVSA-N 532.644 6.096 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OCC 101373883 CCQJPUIQXIHIIB-JHGHDKQOSA-N 545.035 6.755 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101376355 UNFCDTQCSOUPCQ-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386892 IYIYXYCGAWXXPG-XSJBNIOMSA-N 608.666 7.128 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101395902 NVKBJWKHNAWDBA-CONSDPRKSA-N 570.642 6.008 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)oc2c1C 101398438 LQZLDVURYBLIBM-HKBQPEDESA-N 591.063 8.028 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615002 OJKGYWFOLGTBAE-PNQUVVCRSA-N 605.248 5.434 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)cc5Cl)c(C)c43)coc2c1 101620076 WVGNGXIRWVNNCK-RUMWWMSVSA-N 538.431 6.909 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(\CNC(=O)c2ccccc2Br)c2ccccc2)C1 102040887 GAPUBADJNGRSLI-SOAOMDFOSA-N 583.571 5.689 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 102666076 VPENQAIMVWAXQP-WBWFXSCKSA-N 523.593 5.385 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 110554021 STAIKQIWZZFNFD-ZCTHSVRISA-N 549.627 6.904 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)C1 110559497 XEIMDICQGLNRNX-TWDAMHRMSA-N 572.712 5.298 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150431923 QAXKKUUOAJIRGK-JGCGQSQUSA-N 669.503 8.058 50 10 KKGE C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 195894661 OCGGWJZENCFVKE-PPXDMVPQSA-N 952.782 16.812 50 10 KKGE in-vitro Cc1ccc2c(c1P(c1ccccc1)c1ccccc1)-c1c(ccc(C)c1P(c1ccccc1)c1ccccc1)OCCO2 196638338 SKFBMPKUMLAXBZ-UHFFFAOYSA-N 608.658 7.258 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 206415059 KSRRYWOZJQFYPR-ZHZULCJRSA-N 520.607 5.943 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 214225661 VVNKVRKSZWTNBY-DIBXZPPDSA-N 508.622 6.111 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 214290148 SKXNBSFLKPHTAG-ANYBSYGZSA-N 552.675 6.127 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 252603925 FUUONQWXFLFCBI-SANMLTNESA-N 553.460 6.763 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 254287414 CPURLZHSCBQFLH-UHFFFAOYSA-N 610.761 9.650 50 10 KKGE O=C(NN=Cc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C=NNC(=O)c3cccc4ccccc34)cc2)cc1)c1cccc2ccccc12 254378824 KROQSHALYUVBMU-ZAQUEYBZSA-N 664.718 6.678 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccc2ccccc12 254577756 JIFPAHTZGKXHIY-UHFFFAOYSA-N 500.674 6.379 50 10 KKGE C=CCc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 254826038 SOMXXEAOMXHKKZ-UHFFFAOYSA-N 524.573 5.334 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc(-c3ccccc3)cs1)[C@H]2Br 256019101 LAVSLGKPWKQGQL-AGRHKRQWSA-N 563.153 6.434 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 256019343 VRTJQIMVLKKORA-TXQMCKRASA-N 520.298 7.486 50 10 KKGE CCc1cc(C)sc1[C@@H](Br)c1cc(Br)ccc1I 386849907 SOXCFXTXTLIKJL-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE O=C(OC[C@@H]1O[C@H](Cl)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 503926483 XVLSIQHWHHLLPV-MLCQCVOFSA-N 584.235 6.219 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(F)c1Br 691545053 YRZHBBVSGYFQRE-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE Clc1sc([C@@H](Br)c2scc(Br)c2Br)cc1Br 705416732 ADYNZDIJZZYZKQ-SSDOTTSWSA-N 530.326 7.235 50 10 KKGE CN(C)C(=O)c1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237513 JGMRGFTUKYFDJV-NRFANRHFSA-N 523.964 5.421 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)C)CC[C@@H]3[C@H]12 725237943 ACGBOECNYDQJMR-NCWHMVBTSA-N 703.137 9.623 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)c2cc(C)cc(C)c2)cc1OC 725425058 SLCOPDPICRKRMB-UHFFFAOYSA-N 653.599 5.836 50 10 KKGE O=C(NN=C/C(Br)=C/c1ccccc1)c1ccc(NN=C/C(Br)=C/c2ccccc2)cc1 886000340 MGXLIYUMFUEWQF-CDQSOEADSA-N 552.270 6.672 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084175778 ZCUQKAXBABXTSV-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE O=C(NN=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 1084196183 WVSYYNVUULPBFV-UHFFFAOYSA-N 565.445 5.560 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084300553 ZJUJUEKYGMHLKG-UHFFFAOYSA-N 610.092 5.318 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084349814 WEBVOVCUUNMWPW-JOCHJYFZSA-N 526.666 5.286 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084572914 LNJHJPSWTCXUGI-CAOOACKPSA-N 653.101 7.357 50 10 KKGE COc1ccc(Br)c(C=NNC(=O)CCCCCCC(=O)NN=Cc2cc(OC)ccc2Br)c1 1565517846 RKZYLUWOJCOTGZ-UHFFFAOYSA-N 596.320 5.170 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718983 ZMJIEYVMTVLJAJ-LEQYRSNYSA-N 539.872 5.281 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746065 AXOIRKIIITYEIU-UHFFFAOYSA-N 567.689 7.568 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746069 BGXRIJBRMAJAHV-UHFFFAOYSA-N 537.197 5.742 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCCc1ccccc1 1865688655 YAILNQMYBWOEJR-WJOKGBTCSA-N 554.650 6.447 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865689559 CBSOCSKFHYHFRQ-MHZLTWQESA-N 508.597 6.525 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865690374 PPJUGRBNADUMFJ-HSZRJFAPSA-N 504.512 6.441 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865690392 QDUQOZHOXIBWLP-NRFANRHFSA-N 516.951 6.391 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865691391 QRHKSVNRWPZRPD-QHCPKHFHSA-N 553.457 5.611 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698897 FVKZTGBQXGDPRO-VWLOTQADSA-N 507.981 5.911 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865701467 WEVGCIMZAOYOPS-LJAQVGFWSA-N 579.487 7.952 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865703387 UYZSDXIHXCOADG-LJAQVGFWSA-N 541.051 6.398 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703677 YUFAAPDRQAQXNO-SANMLTNESA-N 531.443 6.929 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704305 SDPXBEBMMOEJES-VWLOTQADSA-N 537.834 6.938 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705095 MDUQSDVPZAVSKY-VWLOTQADSA-N 571.431 5.643 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711846 JABIEBVBKTZBCL-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(OC)c1O 1865714094 CJQUMANDZGIWHX-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983989 WFPNSDVJICMBKO-SHQCIBLASA-N 533.650 5.088 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 1868342725 YHKZRBRNHHPROG-PMERELPUSA-N 536.749 8.256 50 10 KKGE Cn1cc([C@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)c2ccccc21 1868414930 QNWTVUWKYYADGH-NDEPHWFRSA-N 566.090 6.283 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)\c2ccccc2)cc1 1872748511 ATVJRMYEEUXBLA-BJGRWJNTSA-N 519.453 8.549 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872754307 MKAIYCMSGDBXCC-ATJXCDBQSA-N 517.478 8.075 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 1873920880 LQVOKKMIDSVAOE-PAEYTKSYSA-N 503.580 5.150 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)s1 1951015877 GCGZLYRTGCGNDQ-LURJTMIESA-N 544.353 7.543 50 10 KKGE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(CCCC[C@@H]2CCSS2)(C(=O)O)CC1 1952011529 NNIXLCSBGJGZMS-HXUWFJFHSA-N 511.709 6.816 50 10 KKGE COC1(C[C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 2049789617 YXUWRVUEZUULFM-ZETCQYMHSA-N 525.926 6.821 50 10 KKGE C[C@@H]1OC2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141471154 OQIRQKONPOSEJO-AQKUBWQISA-N 538.299 6.584 50 10 KKGE CC(C)(CC(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471516 SHXAOQSXHXOSDG-LLVKDONJSA-N 548.285 7.698 50 10 KKGE O=S1(=O)CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141478051 VWJWNORGZGZBQL-GCXOYZPQSA-N 560.327 5.451 50 10 KKGE FC(F)(F)[C@H]1CN(Cc2ccccc2)CCN1c1c(CBr)ccc(Br)c1Cl 2186711672 QXPNQGPQCLSVCE-MRXNPFEDSA-N 526.622 6.251 50 10 KKGE Fc1ccc(CO[C@H](CI)c2ccc(Br)cc2)c(Br)c1 2206268191 QWICZJCIWRBLTO-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2206398274 SQFOLOLUYXYGCI-FZVNPBSJSA-N 597.809 6.951 50 10 KKGE CC1(C)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2216422250 VBZCEGJYKBRZLQ-QUBYGPBYSA-N 509.927 7.093 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)c(C)c1Br 2235601928 BWBSIBMEUZLBLN-OAHLLOKOSA-N 528.453 7.070 50 10 KKGE COc1ccc([C@H](Cl)c2csc(Br)c2Br)c(Br)c1Cl 2268265673 IKAPIXNJYVIIEP-JTQLQIEISA-N 509.872 7.026 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198468 WFHBWRWVSRHTFM-SFHVURJKSA-N 526.239 5.745 50 10 KKGE COc1ccc(OC)c(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c1 2296977151 RXRACYABLMCRLH-UHFFFAOYSA-N 682.163 5.618 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1nc2ccccc2s1 2297476804 INVZKFHOBNWBTP-UHFFFAOYSA-N 515.616 5.364 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2298607915 YOKOQVCFJZMIPW-SZACMFPPSA-N 507.911 6.908 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521259 ACHSFEKIXWCWGW-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1 2313568932 ZGWQYWNAJMUPHN-UHFFFAOYSA-N 501.424 6.919 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1 2313570578 AECMHZPNPLQDHQ-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570914 IYRDFQWFKGWWLJ-UHFFFAOYSA-N 693.081 7.466 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450457 ZNBYWWNUJHHESG-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE O=C(CCCCCN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 2314488118 JCHSPANVCRWTQG-UHFFFAOYSA-N 565.186 6.389 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314616432 AIGNWHCFSJQTDT-UHFFFAOYSA-N 655.110 7.293 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314621161 ZZEBGGNHCKGSPR-UHFFFAOYSA-N 530.665 6.278 50 10 KKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Br)c1 2316597809 WNXANYDFQKXCTI-NSHDSACASA-N 522.427 6.262 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccccc1Cl 2321721468 LKGTYTQOCLUMEY-LJQANCHMSA-N 502.011 5.025 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OC)c1OCc1cccc(Cl)c1 2328821213 GRZPIIVOUCXYML-JTSKRJEESA-N 504.027 5.317 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1I 2337105744 ATRZUODMNRUXPO-SECBINFHSA-N 542.799 5.670 50 10 KKGE Clc1ccc(CC[C@H](Br)c2cccc(Br)c2)cc1I 2337219697 VQLXKQHMWUVRDB-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2338032310 VNOTUMNBPPTVIS-HNNXBMFYSA-N 514.064 6.860 50 10 KKGE O=S(=O)(N[C@@H](CCBr)COCc1ccccc1)c1c(Cl)cc(Br)cc1Cl 2343412017 LOFRLVJMFGCQIR-AWEZNQCLSA-N 546.108 5.405 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(Br)c1F 2360495077 YLJSELKSOSLVCE-SNVBAGLBSA-N 509.797 7.281 50 10 KKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362253618 VPXMNRAVYXNVRN-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE CCOc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058827 IZGKKBGIGPTXBZ-SLEBQGDGSA-N 505.571 5.350 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1Br 14640742 GKHRRDQAJWCAGV-UHFFFAOYSA-N 524.843 5.242 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2c(F)cccc2Cl)ccc2ccccc12 32520633 QJKNGYGTKFZTHL-AMVVHIIESA-N 519.001 6.330 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1C 38651746 RUVYGOJKXQEZTI-RUZDIDTESA-N 505.368 5.269 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 38679434 JOZIRBIWARTDGY-MHZLTWQESA-N 520.969 5.340 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815454 RKAXDNKGVHQQPU-GZZLJNBRSA-N 521.573 5.558 50 10 KKGE O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59166365 WINFWZQLOSVZQM-WYMPLXKRSA-N 500.920 5.332 50 10 KKGE Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C)c1 59680078 VDJXOFOXNAJALN-KEIPNQJHSA-N 500.646 7.241 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100062896 ZPJPYEMYJBIKAB-INIZCTEOSA-N 528.436 5.772 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 100231925 QKBVSKMKYLXIDQ-SLLOZXFSSA-N 590.312 6.153 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@@H]2Br 100935744 RBCJWUYSJYSMKY-CDMYFEKCSA-N 568.346 6.677 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241391 VDOXAVRMWYGDPF-RAMZYJDASA-N 570.036 6.718 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101293634 WXDWOXPTGRYPTJ-HKBQPEDESA-N 565.025 6.921 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 101373694 CQXAFNJCBWFMMP-PMERELPUSA-N 542.632 6.346 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380382 DXBNLRRYAHIGQS-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381067 CWEKDGMOSCKSAA-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386617 FHOQXPGRYNRMGX-YTTGMZPUSA-N 582.584 5.624 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1 101388519 VOBLBUQINOJFDA-NDEPHWFRSA-N 542.975 6.348 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101393668 ABVFZVUNPJZOBJ-XMMPIXPASA-N 610.258 6.712 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610069 KSJQIASFRJDGAG-PPOKSSTKSA-N 546.454 7.136 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 102349998 BILOWWYBPKIEHP-BKUYFWCQSA-N 553.080 7.225 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@H](C)C2 103733481 BGBCQNKOHXJIGZ-XFNCEPBJSA-N 539.997 6.417 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741996 NHVMQXFJXYMUIU-GPSDDGMOSA-N 563.433 5.100 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 103796067 HZOLDRBYGVNGSI-JRZNSJKLSA-N 600.118 8.611 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 103797313 VOBUNIXLBNYDTD-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc2ccccc12 103878766 FEFKOWJWHKLIHS-KBVAKVRCSA-N 590.417 6.932 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103883680 XKWYLBCVSAOFMG-PXLXIMEGSA-N 577.435 5.201 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105051937 HWLQYMFPTYFNKQ-KPGMTVGESA-N 539.846 7.569 50 10 KKGE COc1ccc(OCc2cc(C=NNC(=O)c3cc(-c4cccc(OC)c4)nc4ccccc34)ccc2OC)cc1 252592305 BENZMQRACMIFJE-UHFFFAOYSA-N 547.611 6.271 50 10 KKGE C=CCOc1ccccc1C=NNC(=O)CCCCCCCC(=O)NN=Cc1ccccc1OCC=C 254305563 INPTUJTWYFSTMG-UHFFFAOYSA-N 504.631 5.147 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=C/C=C\c1ccccc1[N+](=O)[O-] 254391396 ZMGRSKAQGOBNFR-TYOSKGMESA-N 521.649 5.799 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)c1 256018218 SOSHQRNTIZUMHZ-GXBQEJFZSA-N 521.577 6.735 50 10 KKGE COCCOc1ccc([C@H](Br)c2sccc2I)cc1Br 313002807 YYBHFGHXDATGHT-ZDUSSCGKSA-N 532.035 5.625 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(I)cc2)C1 394513752 GAHQHHPXDCBAJH-SJLPKXTDSA-N 547.174 5.078 50 10 KKGE CCC(=O)O[C@]1(C(=O)SSC(=O)[C@@]2(OC(=O)CC)[C@H](C)C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 605692889 OQDFECAXWAAOEZ-RUXGNHTFSA-N 935.108 7.935 50 10 KKGE in-vitro Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 1083928640 CLZAXLBIFFVEOX-UHFFFAOYSA-N 552.483 6.461 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1cc(Br)cc(Br)c1O 1084078594 WKJMKTFAEGWFLJ-UHFFFAOYSA-N 534.046 5.022 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084104280 FKDOVTOYFNRICW-UHFFFAOYSA-N 517.796 7.135 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084197899 CZPFTWRATIJKFF-UHFFFAOYSA-N 545.636 5.367 50 10 KKGE Cc1cccc(NC(=O)Cn2cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1 1084332266 IBTJPRKZKIXBTE-UHFFFAOYSA-N 529.394 5.861 50 10 KKGE O[C@H](CCl)CN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084349830 BLBRFKNWQOPVDU-OAHLLOKOSA-N 541.558 5.001 50 10 KKGE CCCCCCCCC(=O)NN=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1 1084371269 BMYZWYLAQCIXED-UHFFFAOYSA-N 526.435 6.411 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(C(C)(C)C)c1O 1084484625 LCWYDPQCKNROMJ-UHFFFAOYSA-N 500.683 6.842 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(C/C=C\c3ccccc3)c3ccccc32)cc1 1084493526 OPJFNYYWWPSAOI-UHMUCSKASA-N 537.704 7.400 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1084616831 GDODPFVAQMOBEV-UHFFFAOYSA-N 612.393 5.233 50 10 KKGE CC(=O)c1ccc(NC(=O)NN=C2c3ccc(Cl)cc3C[C@@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1088692067 WGDVZURFCGFINB-QFIPXVFZSA-N 513.356 5.216 50 10 KKGE CCCCCOc1ccc(O[C@H](C)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1565517671 IBLKCEBBPZVZBE-CQSZACIVSA-N 528.241 5.404 50 10 KKGE O=C(CCCCCCCC(=O)NN=Cc1c(Cl)cccc1Cl)NN=Cc1c(Cl)cccc1Cl 1565517793 AXSFAXFPHFBTOX-UHFFFAOYSA-N 530.283 6.631 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCCc6ccccc65)c(C)c43)coc2c1 1772751669 JFKIZQPOWMVXMY-UHFFFAOYSA-N 509.606 5.943 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc(C)c1Cl 1772754366 ZXSUNBJUSPHSLW-UHFFFAOYSA-N 501.808 5.827 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687352 PDMZZICWUSEKNF-MUUNZHRXSA-N 536.632 6.020 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(Br)c1O 1865689814 XCLUFQPOTAKGSR-NRFANRHFSA-N 549.812 5.888 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865691412 RCANFXUMQZQUDP-GDLZYMKVSA-N 526.596 6.484 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865691512 UNNQMTWYOLHBMY-HSZRJFAPSA-N 538.446 5.524 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865694514 WQLXPINTXJDLBY-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865708938 JVDZZCWVXIMKAS-DEOSSOPVSA-N 526.980 5.265 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)OCc2ccccc2)c1C 1866130493 YBUJWTFCMACODO-DEDYPNTBSA-N 534.590 5.153 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866663613 WMSMXPKXKLZMLA-RUZDIDTESA-N 547.036 5.491 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998464 YAUUZDNWJQUUKX-RRPNLBNLSA-N 548.064 5.698 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)cc1Cl 1867142132 YXILMFWSPKLDBI-VIZCGCQYSA-N 556.087 6.940 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCCc4ccc(N5CCCC5)cc43)nc(-c3ccc(Cl)cc3)n2)cc1 1868432904 AFYFLTYZFUCPAH-UHFFFAOYSA-N 539.108 7.798 50 10 KKGE CN1CCN(CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c2ccccc2Cl)CC1 1868566208 WPCXJHJOPAQBRJ-UHFFFAOYSA-N 557.127 5.894 50 10 KKGE COc1ccc(CCN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C)cc5)cs4)cc3C2=O)cc1 1872749596 YVOYXAWXJRBIMA-RFBIWTDZSA-N 521.598 5.916 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c([N+](=O)[O-])cc1OC 1872756181 SZUCFRVGZBCYMR-UNOMPAQXSA-N 508.339 6.001 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872792251 NQQWYLXXFSGQBW-CAOOACKPSA-N 513.413 6.553 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCc1ccccc1 1872794271 SBUGSQSQUDCDIB-CIAFOILYSA-N 503.023 7.432 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1ccc(Cl)cc1I 1901597636 WUJCVLMZSBHODD-INIZCTEOSA-N 565.617 5.180 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915088135 GOQVAPZPHGTMOU-NSHDSACASA-N 501.693 5.528 50 10 KKGE Clc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)nc1 1918235796 IHCHJGKPXLNGGL-LLVKDONJSA-N 501.387 5.781 50 10 KKGE CCOc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924597155 YHQHLLJULLAFER-JTQLQIEISA-N 533.905 6.919 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Br)CC1 1995049084 WIGOFTMJLADMCY-VIFPVBQESA-N 561.131 6.944 50 10 KKGE FC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782114 GIORKFCLXRTUSC-PJPYAQQDSA-N 558.703 6.778 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCC23CCC3)c1Br 2053377535 JBIZRNPAKXUQES-IONNQARKSA-N 521.938 7.442 50 10 KKGE C[C@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(Oc5ccc(C(C)(C)C)cc5)c([N+](=O)[O-])c4)nc(O)c23)C1 2053574524 IUFZVVGUPMEKRF-KRWDZBQOSA-N 540.645 7.584 50 10 KKGE CC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C(O)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1 2065359478 PKRNEIILPGTZFJ-BLPFIKBVSA-N 605.895 6.722 50 10 KKGE CN([C@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080759046 OGGSROVWKWCEQW-DFABAFTESA-N 595.833 8.277 50 10 KKGE Cn1nc(CC(CBr)(CBr)c2ccccc2Br)cc1Br 2168209970 FUDJFMNWMWHSGM-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Cn1ncc(CC(CBr)(CBr)c2ccccc2Br)c1Br 2173257948 MZBFPJGRYHBZJY-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC[C@H]2CCCCO2)c1Br 2206398794 ZCHYLJZHXFAJDK-BDAKNGLRSA-N 598.793 7.522 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206401587 YGRMDIJFDFDKFF-JTQLQIEISA-N 615.154 8.013 50 10 KKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273253 SLWLDXPQRQHGGN-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(C)sc(Br)c2C)c1 2224056063 UJVBJWCCFILGGC-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)cc1C 2236013277 VWBXJDDUNJSZME-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sccc1I 2260006724 WEKQKBUBZAMLQI-SECBINFHSA-N 528.381 6.484 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263519001 MKSUUXLBGHTBOA-JTQLQIEISA-N 518.894 6.418 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277889710 AJHWSFITOAUXOZ-JTQLQIEISA-N 596.802 7.785 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1Cl 2294619983 XTRZSQSFPVNAOZ-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE Fc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1Br 2295273891 DAKLBDKDANDFOO-LLVKDONJSA-N 533.830 6.931 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1 2295459804 ZUEATAOSHMGLQV-UHFFFAOYSA-N 572.371 6.284 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(=O)OCC)c1C 2296790156 SWAURLXAKVYZOP-UHFFFAOYSA-N 529.643 6.829 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccccc3)n2-c2ccccc2)cc(OC)c1OC 2297304509 LQLKAMWZQXQSNQ-UHFFFAOYSA-N 543.649 5.258 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 2297459942 APHYPYKVEWZNKB-UHFFFAOYSA-N 529.445 7.305 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313556942 OXVRUJKYSOBYBL-UHFFFAOYSA-N 613.339 7.481 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1 2313570841 HGDYUHVDHGKZBC-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@H](C)C2 2314571013 AQDRBYRPTOTMHX-AWEZNQCLSA-N 562.997 7.527 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591640 AGYOGWNRWDMGGZ-MUUNZHRXSA-N 509.675 6.800 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C)c(C)c1 2314591982 IXJHLGXMHKOACU-MHZLTWQESA-N 511.647 5.994 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592462 ULJDNFQUCRAADY-DEOSSOPVSA-N 520.010 5.422 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314618757 TUAYNSUDISLUTK-UHFFFAOYSA-N 612.089 6.959 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314620723 SZGRAUYCHXNKIG-UHFFFAOYSA-N 625.128 7.873 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231942 UYNMTDNFJTVEAS-QFIPXVFZSA-N 521.598 6.109 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2OC)n1 2331363974 AKDSWUBEASOLRY-UHFFFAOYSA-N 502.206 7.391 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 2331412928 UXLHIYSZZJAFQG-UHFFFAOYSA-N 508.640 6.785 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccc(Cl)cc1 2331417154 WXFVNKMXKRKEIV-UHFFFAOYSA-N 513.062 7.994 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2335371996 RMPSZBOVSGJYKG-GOSISDBHSA-N 519.035 7.958 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 2339655605 FXVFKOUGNFIPRC-SFHVURJKSA-N 561.133 7.653 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360493087 OTQXPUKAFIVLFR-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(F)cccc1Br 2365178048 GWVISOZEXFIVGJ-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2367602326 ROUBJKLKXAFIDA-RRFJBIMHSA-N 518.027 5.147 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 14661666 KZZSFVBPRATJLI-UHFFFAOYSA-N 502.055 5.189 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1OCCOc1ccccc1Cl 33404399 WJFQLFXKCHQHRH-PDGQHHTCSA-N 501.797 6.959 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650865 FTVTWOLITAXXTA-ACSYHNTCSA-N 512.606 6.019 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1Cl 38687877 IDLQLBKIQLENCH-QFIPXVFZSA-N 511.759 5.548 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 40514703 WRSFDJLYCQZRNY-KOEQRZSOSA-N 502.611 5.354 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1 59305224 SASIOVVRPHHGHY-WKULSOCRSA-N 507.359 6.406 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)Nc1cccc(Cl)c1 100099549 INQVADLOHNRBLH-UHFFFAOYSA-N 527.600 5.250 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1F 100235482 WHEIBZLLLSIHJO-ZTCOUNKMSA-N 569.471 6.258 50 10 KKGE CCN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C)c1cccc(C)c1 100935225 LMYHNMWETIKOFR-ZOCIIQOWSA-N 522.119 6.034 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 101115873 LGTLTZFAFUYTNL-VBKFSLOCSA-N 521.360 5.656 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 101339531 IZMHQFBXXDQZJI-OGLMXYFKSA-N 514.585 5.649 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OCC)c2)c1 101374075 MPNNLHJMCYWHNK-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCC(C)C 101374316 KZACBLSZQYUXMT-WRHNGFHOSA-N 532.568 5.460 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381194 BWJQXJOUNWBXFV-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385804 VFOMVYYOHVCVPT-KKIUXKEOSA-N 601.030 6.658 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1Cl 101392622 XGRVHMGWNYBLLQ-DEOSSOPVSA-N 555.414 6.237 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1F 101399461 IBXUHQOOPTWAHW-XIFFEERXSA-N 604.634 7.522 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 102229425 MWRMLMDOUUAZJO-MOSHPQCFSA-N 533.415 6.468 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741946 QILXQJKNNNIWKP-CTHAODRQSA-N 587.326 6.499 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 105511277 ZKLKCFQJNVTSCS-AJBULDERSA-N 531.528 6.392 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1 150607609 CIXZIXYCVJJDPA-YVLHZVERSA-N 647.809 6.025 50 10 KKGE Br[C@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCCCC2 155255644 GMGLWTYKSMAONZ-KBPBESRZSA-N 686.935 6.756 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OCC)c1 207166699 ZGZWHDPOTDCHRN-JXGQZURYSA-N 507.583 5.608 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214375333 XZCZRDGZDCQBPS-MIXAMLLLSA-N 528.612 6.039 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1sccc1Br 232482989 GSBNAMQPASFRKM-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Br)ccc1Br 236125276 UBWNNLGMEQYSTQ-GFCCVEGCSA-N 501.813 6.598 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(I)c1 236245334 NCZLKHDHTOPFLS-JTQLQIEISA-N 510.391 6.392 50 10 KKGE CCCCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OC)c3OC)c3ccccc3n2)c1 252628133 SIUICTPPCVTFLT-UHFFFAOYSA-N 513.594 5.870 50 10 KKGE Cc1c(C=NNC(=O)COc2c(Cl)cc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1 252632276 VSIGBZCCRMMREQ-UHFFFAOYSA-N 500.813 6.487 50 10 KKGE COc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c(C(=O)O)c1OC 252638485 YDBOXDDDJKCETQ-SFHVURJKSA-N 700.559 5.139 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)ccc1C 253622517 NUMVLTTXMWDTRM-QIONELKJSA-N 538.773 5.861 50 10 KKGE O=C(Oc1ccccc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1 254295395 NZNBDMXMXPSVNP-UHFFFAOYSA-N 563.835 6.665 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2C)cc1 254385232 IDRVYRLIIVUADF-UHFFFAOYSA-N 521.702 6.482 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(F)cc3F)c2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 254392821 FFIQLZGBFWDJHP-BJKOFHAPSA-N 612.102 6.331 50 10 KKGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254482404 MSJMLNQXMFTYKR-UHFFFAOYSA-N 601.707 6.177 50 10 KKGE CC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254527961 KTPPKSRTDORMKJ-UHFFFAOYSA-N 575.899 6.791 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254853199 GAOORKJQVDHYLK-UHFFFAOYSA-N 540.737 6.320 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3cc([N+](=O)[O-])ccc3nc12 256020039 SWBXQXOTBMQFKB-ZKTSCFBBSA-N 555.473 5.988 50 10 KKGE Clc1cc(I)c(Oc2ccc(CBr)cc2Cl)c(I)c1 387973656 ZMJCGTGJINARDF-UHFFFAOYSA-N 583.816 6.890 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616588731 MHNHIGWCUNOEFZ-MPJBSJSCSA-N 578.822 7.136 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616589947 QCJSYZSJARHGIB-KNUMEIEKSA-N 620.903 8.306 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1)c1cccc(Cl)c1Cl 725408278 MBMCGBYYLHKOGT-UHFFFAOYSA-N 576.505 7.030 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1 725423636 IACPEAKZONMBDQ-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE O=C(NN=C/C(Br)=C\c1ccccc1)c1ccc(NN=C/C(Br)=C\c2ccccc2)cc1 886000345 MGXLIYUMFUEWQF-SWQMTZJQSA-N 552.270 6.672 50 10 KKGE CC[C@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1082200293 KASDHRXLYQOAKZ-XRRDZCQXSA-N 810.466 5.719 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c2ccccc2cc2ccccc12 1084067750 YLAKWHCKPVXOGA-UHFFFAOYSA-N 556.695 6.778 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c(C)c1 1084108664 WBGLOUGGKAUJTN-UHFFFAOYSA-N 546.534 7.530 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084379690 XWBXTTIUVIJGGW-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE O=C(CCCCCCCC(=O)N/N=C(/C=C/c1ccccc1)c1ccccc1)N/N=C(/C=C/c1ccccc1)c1ccccc1 1614989750 DFFZVOLNHOLTLS-DEGCTVHZSA-N 596.775 8.185 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 1772753781 IQLKOCHCNWYZJV-UHFFFAOYSA-N 509.444 6.604 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OCC 1865689313 PGBCOGATOCBFGO-SANMLTNESA-N 543.023 6.217 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865691251 NTQYOSHZAKCZNP-HXUWFJFHSA-N 518.923 5.950 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865691883 DDWSCBRFOMLZEO-QHCPKHFHSA-N 571.903 6.646 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OC 1865694928 FVJYPUJVSJYEBU-AREMUKBSSA-N 526.568 5.372 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865695143 LBPPYRWKXABBIF-MHZLTWQESA-N 541.051 6.988 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865695855 IKTHJXFIOAVWHI-MHZLTWQESA-N 518.633 6.209 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697134 NWQYTLGZZBRJPT-GDLZYMKVSA-N 555.078 6.717 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865697705 ZVSCBZJAZMZIPR-QGZVFWFLSA-N 535.320 5.279 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865702250 QNTWWHMRVJFGCF-HHHXNRCGSA-N 574.512 6.978 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702512 BGQAGNNVWLZENZ-GDLZYMKVSA-N 579.487 7.952 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cc(Br)ccc1F 1865702696 ZTVOOOUITUHHBV-INIZCTEOSA-N 527.703 5.723 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705920 JJOWCXLGRSELCR-JOCHJYFZSA-N 534.359 5.981 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706610 AJOUIZUDXHMAGQ-HSZRJFAPSA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712410 XUBKAAMSRHAOQA-GDLZYMKVSA-N 526.596 6.345 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H](c2ccc(F)cc2)O1 1868207549 NIKVZYVGVXHDTA-FQRUVTKNSA-N 511.626 6.490 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](O)C[C@@H]3c3ccc(OC)c(OC)c3)n2)c1 1868505526 HLAZLVHPNJQWAQ-JYFHCDHNSA-N 569.687 6.189 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872751031 QQBBNFDNYIZFPA-HPOSPOPRSA-N 501.608 5.552 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 1872751689 ARYXFSXLSVGSLQ-QGPJFTJVSA-N 501.608 5.956 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc6c(c5)OCO6)cs4)cc3C2=O)c(C)c1 1872752939 ZUICYPNDHGAXMK-QLYXXIJNSA-N 521.554 5.906 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872784514 QSQLMIYSOJGBJG-KGENOOAVSA-N 520.611 5.818 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)ccc2Br)c1Br 1922946268 PLJMTUGMHGCEKV-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923054904 LSPKFYXOKGBYDF-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE Clc1ccc(I)c([C@H](Br)Cc2ccncc2Br)c1 1924054395 ZVLKFYLTFBIFKB-LLVKDONJSA-N 501.387 5.781 50 10 KKGE CCc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924569588 XKKVFOSRQNOBNX-MRVPVSSYSA-N 523.935 7.144 50 10 KKGE CC(C)Cc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616844 UEKQLQGXHYWSPM-GFCCVEGCSA-N 545.960 7.718 50 10 KKGE Cc1csc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 1939884138 VFXVCWATFXSXAV-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE CCN[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2020160718 GTLRMHZAOCDHQV-QIOHGKGESA-N 510.915 5.860 50 10 KKGE COc1ccc(-n2c(SCC(O)=C(C#N)C(=O)NCc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2042441162 HEIFJQRWNRPYSH-UHFFFAOYSA-N 553.688 5.985 50 10 KKGE O=S(=O)(N=C1C(Br)=C(Br)C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1 2053622326 UVNNXZBWWIJGNO-UKRRQHHQSA-N 772.944 6.495 50 10 KKGE C[C@@H](Cl)c1nc2cncc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2095447768 MOOKBARINGJINA-LJQANCHMSA-N 525.878 5.965 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccc(I)cc2)c1Br 2141471308 QDZZAIHTSFUKHB-NSHDSACASA-N 688.615 7.826 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 2203003205 UMMNMOQOOSGHKL-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE CC[C@@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206395109 LQQWQPXWOZZMQN-GZMMTYOYSA-N 554.386 8.479 50 10 KKGE FC1(F)CCC[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395116 LSYUFCUWVLTGGD-HZGVNTEJSA-N 560.296 7.842 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1C(F)(F)F 2206396348 VXTGBAQMPXMHDN-PFZYVWIYSA-N 564.259 7.605 50 10 KKGE CCn1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)nc1Br 2235609545 BUFJKXASSVVCKS-ZDUSSCGKSA-N 529.896 6.292 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2264609194 IREKMJVFVKBRJT-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2272735818 WAWSTXYTRMFXDW-GOSISDBHSA-N 547.031 7.553 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1F 2279146512 KSRAGLNJIVYPEI-CQSZACIVSA-N 576.867 7.056 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2282896633 KTKOTPPGUMRWOV-ZDUSSCGKSA-N 662.154 7.809 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2293311824 IQRQLWXWCRKCSG-UHFFFAOYSA-N 529.368 5.506 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)sc(C)c1C 2296789924 BQVPYBMGOHFURJ-UHFFFAOYSA-N 522.564 5.656 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1OCc1ccc(Br)cc1 2297491161 IYBLFTARMUNACX-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448742 KBZMYEVZDKONOS-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617750 AALZQOGQFDZPJF-OAQYLSRUSA-N 527.020 6.671 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314618841 VITJRLHTTQMRKC-AREMUKBSSA-N 536.632 5.406 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2sccc2I)c1Br 2315460886 NZQQDUONXZPNDY-SECBINFHSA-N 589.287 7.155 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccsc1Br 2317399947 LKVFQDYPEOBCPB-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)cc2I)c1C 2317774709 RYTYEGMJCABAEO-NSHDSACASA-N 520.455 6.870 50 10 KKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)o1 2331051000 AYSGEDWMYGEJFG-UHFFFAOYSA-N 535.221 7.557 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1C 2331424876 LGSXEZPYCWEGBD-UHFFFAOYSA-N 521.469 8.467 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331467192 MXZJKAGXGSQKAH-UHFFFAOYSA-N 520.485 8.216 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052866 DXHVEFMNFWYVNL-LJQANCHMSA-N 543.068 7.608 50 10 KKGE Cc1csc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2337112363 DIIGYDUBRNWHSK-VIFPVBQESA-N 511.863 7.512 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCCCC[C@@H]1Br 2341836147 DFOLMQGURRYUHU-GJZGRUSLSA-N 502.028 6.057 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1Br 2362233636 CIQLQEQASFVUDK-NSHDSACASA-N 617.703 7.746 50 10 KKGE Cc1c(Cl)cccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256316 VLIFNKWOQRLFGL-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE COc1c(Cl)cc(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)cc1Cl 2365732041 LODNYJDDBRZUDI-IBGZPJMESA-N 530.230 5.723 50 10 KKGE CC(=O)Oc1ccc(-c2ccc(/C=N/NC(=O)C34C[C@H]5C[C@@H](C3)CC(c3ccc(C)cc3)(C5)C4)cc2)cc1 1883538 XSZPBTBILPCDDH-SMMPPYDVSA-N 506.646 6.576 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC(=O)c1ccc(C)cc1 33906381 RRIJBYLDTRKKGO-WQRHYEAKSA-N 514.887 6.441 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988471 PMABVFVLXBXJHA-RELWKKBWSA-N 501.590 6.740 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)sc2c1 38687750 LKOVLTIINTYTCU-QFIPXVFZSA-N 507.398 6.954 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813545 ZEYYJVHVVBOZEE-LAIGVCOUSA-N 509.581 6.332 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 58894271 GXPOQNOIIUYOTR-TZMKENEKSA-N 511.018 5.680 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 100079254 NOLSYJBOMRJLCC-UHFFFAOYSA-N 585.307 5.169 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)C(C#N)=C(S)N2c2cccc3ccccc23)cc1 101208268 UICZFDLCYHCTHF-LJAQVGFWSA-N 529.625 6.001 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101332956 BYLPHXPYWUDRDT-HZHRSRAPSA-N 515.411 5.694 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101334400 JFHBVUADKDWZFC-BLXYJZHJSA-N 506.606 5.562 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 101340547 YSUUPZSYIUGSPL-RDRPBHBLSA-N 546.602 6.260 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362329 VQSVEEBNKATKJM-MUUNZHRXSA-N 553.412 6.465 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1 101367401 LXLGBPJSZKYVPO-HKBQPEDESA-N 569.013 6.130 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101368483 QFCBYFHHEBMQMP-LJAQVGFWSA-N 533.024 6.140 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374682 YKXDXNADPAAAIG-MGBGTMOVSA-N 584.713 7.154 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(F)c(F)c(F)c(F)c5F)ccc43)cc2)cc1 101378918 JYIOAWHARACVDH-RUZDIDTESA-N 608.519 6.472 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc([N+](=O)[O-])cc5)ccc43)c2)cc1 101382158 XQJTVXHWRIHAEJ-WJOKGBTCSA-N 563.566 5.685 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384617 NAHUHPWLMMRQSV-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)oc2cc(Br)ccc12 101394527 WGDJFGGPSMIRKG-QFIPXVFZSA-N 553.771 6.734 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101395155 FLHTZFZCGQNOOR-QFIPXVFZSA-N 525.344 5.226 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)CC1 101399897 NMLNSVOTLYWUJL-AKIURYFPSA-N 598.715 7.924 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614651 REPAPUVXEMHWOZ-IURWMYGYSA-N 523.405 5.229 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 101680504 JBGPGEJEXIXWIH-YCPQVAJXSA-N 568.670 6.505 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c(C)c1Cl 101751375 NBNVJXMHJLUSPO-WOJGMQOQSA-N 543.801 5.520 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 102131032 UCMVMZVVRBTWCW-OFWBYEQRSA-N 550.061 9.164 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1F 103796435 IZGSGMONLSAJNV-KVSWJAHQSA-N 531.765 6.339 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(I)cc1 103796727 KHGHLPVUPAACTQ-UVHMKAGCSA-N 605.226 6.151 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150460309 AICUULUQFCPWSW-WJOKGBTCSA-N 637.903 7.437 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1 150487591 NLLLTUHOPQEGIA-YVLHZVERSA-N 623.672 6.840 50 10 KKGE O=C(CCCC(=O)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12 159325973 BRCMDIVZGRIBED-WYLAQJHRSA-N 806.555 9.447 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 159846773 QVPITXIIXVRZPI-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE N#C/C(=C/c1ccc2c(c1)[C@@H]1CCC[C@@H]1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O 203542662 GOTRYMLNXIJMCB-JBLWCUPVSA-N 508.621 8.055 50 10 KKGE CN(C)[C@@H](c1ccccc1)[C@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 210014120 CRDKMPRXRRQNBW-GSDHBNRESA-N 659.495 9.666 50 10 KKGE in-vitro C[C@@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(O[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](C)F 226125782 AZXRCMUKALOQHX-HTQZYQBOSA-N 626.471 8.290 50 10 KKGE Brc1ccc(I)c([C@H](Br)Cc2nc3ccccc3s2)c1 232480473 CRHSLYRVJXDUJI-LLVKDONJSA-N 523.031 6.342 50 10 KKGE COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC 252604162 FXNPZAPBAAQESB-UHFFFAOYSA-N 632.467 5.710 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C1=NNC(c2ccccc2)(c2ccccc2)C1 254480304 KYXZGGBGIJATMV-UHFFFAOYSA-N 550.531 5.039 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 263632875 DCLHTJMHRQULFC-HIOPFQCRSA-N 706.850 6.072 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 380152856 XOQOSVDRVHBLJN-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE CC(C)(C)[C@@H](CBr)COc1c(I)cc(Cl)cc1I 385061559 RGBDXACTSNZWOG-QMMMGPOBSA-N 557.435 5.985 50 10 KKGE CON=C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]1O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C 575448389 IBUWRFQPAQWUEY-MAMUCQMKSA-N 948.803 9.752 50 10 KKGE CN1c2ccccc2N(c2c(P(C3=C[CH-][CH-]C=C3)c3ccccc3)ccc3ccccc23)[C-]1P(c1ccccc1)c1ccccc1 642880648 GVGBILDCDXYQCV-UHFFFAOYSA-N 627.688 9.303 50 10 KKGE O=C(NC1C2CC3CC(C2)CC1C3)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238106 PSDLHHWOADPKIF-SUJPRDTKSA-N 511.009 6.021 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1 725385942 AZFPITBNNZSAMB-UHFFFAOYSA-N 565.095 5.492 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1082441586 SKKRUSRVNWLCBW-UUASQNMZSA-N 510.384 6.853 50 10 KKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1083975397 RBLLMATUQQQXTL-UHFFFAOYSA-N 500.023 5.794 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1083999756 YWKQHSSIBVYBMJ-UHFFFAOYSA-N 685.992 7.826 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084481997 NEAVUQKQDLWDGS-YVLHZVERSA-N 535.747 7.246 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653259 ZDKXLIJDCZAKCF-VNGAGHNVSA-N 530.093 6.767 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC)[C@H](OC)[C@@H]1OC(C)=O 1848438050 RRWCFRRJDLLSIP-VLLGUPHNSA-N 628.747 5.082 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865686962 GFPWAMYUFJXGRW-NRFANRHFSA-N 567.395 6.994 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688227 NLCNWWSEAAMOBT-NDEPHWFRSA-N 541.051 6.326 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865696089 BWJVKBPLNHDRID-OAQYLSRUSA-N 527.394 5.021 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696945 LTROVVYOXYMYCJ-NDEPHWFRSA-N 536.632 5.929 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701511 XEFNTTJVDSYBMG-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)c1 1865703359 URAIXCKPVAMSTJ-NDEPHWFRSA-N 511.025 6.307 50 10 KKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704128 OAJHOVYWBBCHQC-HSZRJFAPSA-N 513.425 5.968 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705571 ZGFOSNWQTNOCBC-VWLOTQADSA-N 506.562 5.406 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865711935 LPZYKEJCGPHBOB-SFHVURJKSA-N 541.313 5.442 50 10 KKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1865759828 ULLBFPAXJYKZIC-DEOSSOPVSA-N 504.417 6.151 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414960 RKUZEHODEFXFKW-DEOSSOPVSA-N 534.472 7.345 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 1872790414 GXMIRPUNAYXUOZ-HYARGMPZSA-N 503.023 7.514 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(Br)c1O 1872795257 VXMQLOMEKAXDFO-MHWRWJLKSA-N 507.409 6.903 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)cc(Br)c2)c1Br 1922896779 IBEJKVOYMGGINF-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ncsc1Br 1923038056 HMDJCFHLGSPWJM-GSVOUGTGSA-N 531.314 6.630 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3c(c2)OCCO3)c1Br 1924599957 NUGSDAIWTMHSPH-JTQLQIEISA-N 547.888 6.291 50 10 KKGE Fc1cc(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924600373 QOXGEBSOGZPFOR-QMMMGPOBSA-N 543.822 6.937 50 10 KKGE Brc1cc([C@H](Br)c2cscc2OCc2ccccc2)sc1Br 1934840494 WXIIUDUIJIHWJV-OAHLLOKOSA-N 523.109 7.398 50 10 KKGE ClC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2025782235 HCTXHEULASFSQB-SNVBAGLBSA-N 575.158 7.334 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2053612175 ZUFMOUFQBYZIHB-JINMFVDPSA-N 885.088 9.507 50 10 KKGE CC(C)c1cc(C(C)C)c([C@@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1 2080762171 QFFCRNRZGCZTNL-VPHSWYRMSA-N 597.849 8.956 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(Br)c1 2083318697 RTLJTEOBGUIURW-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2C[C@@H]2C2CC2)c1Br 2141471512 SHKOASWMEIFOLN-DJLDLDEBSA-N 580.778 7.609 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2scc(C(F)(F)F)c2Br)c1C 2157252291 QKDOPAMGSDMGSE-VIFPVBQESA-N 513.036 7.455 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)c(C)c1Br 2227350433 HQEPWAUQYNZEBU-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1ccc(Br)cc1I 2229143414 ZYMGMGFYRZPBKV-ZDUSSCGKSA-N 534.844 6.992 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)c(C)c1Cl 2232525622 DKDJHUMAQMZGTN-CQSZACIVSA-N 593.322 7.571 50 10 KKGE Brc1c([C@@H](Br)Cc2ccccc2I)ccc2c1CCO2 2238064489 ZQCHDGFWGMSVCR-ZDUSSCGKSA-N 507.991 5.667 50 10 KKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2268256418 YVHXCOVQJXVKEE-QMMMGPOBSA-N 509.872 7.073 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1F 2279147611 WVFXABFXNYGBMY-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1Cl 2283558537 BRUREIOPQJXPJR-GFCCVEGCSA-N 548.294 7.120 50 10 KKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296500285 AHEKMMGWOIYZKG-UHFFFAOYSA-N 509.034 6.936 50 10 KKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2309459455 NOQKEDSUQUOXSB-VLVWYGMNSA-N 529.864 6.763 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521544 VYCZRJDINNBNIE-UHFFFAOYSA-N 580.647 7.359 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566780 ABBLKRZGOJIPMA-UHFFFAOYSA-N 754.204 6.493 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F 2313568089 RDXWNKZILNNIOD-UHFFFAOYSA-N 550.428 5.432 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 2313630736 GAUGKQMEMBKALD-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE COc1c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)csc1Cl 2314442317 FIAHVJRZUAYAKY-KRWDZBQOSA-N 502.655 7.236 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1OCc1ccccc1 2314450078 VUOCTTMDJSYVBO-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592356 RRIDVJROXSHVRS-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592411 SRYBPMUNFYIEKA-VWLOTQADSA-N 502.039 6.330 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592870 DASQNCZNDRPOSV-DCFHFQCYSA-N 513.638 6.253 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 2314616628 FZOHYBCPVQKJKM-UHFFFAOYSA-N 614.702 6.265 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(F)c3)C(C)=C(C#N)C2=O)cc1 2314616840 KYGASFXTWQRKNZ-UHFFFAOYSA-N 548.574 5.488 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617298 VPOAJWSCSRBAHI-UHFFFAOYSA-N 556.666 6.409 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634073 JLQMAZASRUVJJN-MUUNZHRXSA-N 500.982 6.356 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644625 XVBOWYHLERXZQT-XIFFEERXSA-N 682.387 9.115 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)cc1 2314646877 SPOJRWHLUJQIJF-HKBQPEDESA-N 690.822 6.198 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331313295 ANKQIBMLPUVKEM-UHFFFAOYSA-N 502.552 5.676 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1OC 2331393919 IPWWKUGIYLDMGG-NRFANRHFSA-N 517.651 5.636 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c2ccccc12 2331489200 HTCVCRCAARZCFF-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336046315 CPILYMSYASFCAO-GOSISDBHSA-N 515.072 8.014 50 10 KKGE Cn1ncc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1I 2337105745 ATRZUODMNRUXPO-VIFPVBQESA-N 542.799 5.670 50 10 KKGE CC1(C)C[C@H](Br)CCN(Cc2ccc(I)c(Br)c2)C1 2349827692 JHXMHMCLTKXMNI-GFCCVEGCSA-N 501.044 5.439 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Cl)ccc2I)c1Br 2362252059 QHSTXUMPWPSZRI-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)c(I)c1 2365236313 OECJHPLNXIDMJM-ZDUSSCGKSA-N 552.834 7.245 50 10 KKGE Clc1cc(CBr)cc(Cl)c1OCc1ccc(I)c(Br)c1 2377251988 HGQWBQZLUKAEJC-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 3113646 VZXNSTVBMCXONO-RPPGKUMJSA-N 566.633 5.613 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739720 AMJOZWZOEILCKM-NJEMLTPYSA-N 502.039 5.434 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 29491719 WFQHYCPCXMETQT-BRPDVVIDSA-N 609.173 6.342 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1 38660855 IPCKHKOMCMIICL-SSEXGKCCSA-N 504.542 5.990 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1OC 38688649 UQJSPRPLDUUWQR-VWLOTQADSA-N 510.546 5.813 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812950 XKGRSFNBFRJSAI-MWAVMZGNSA-N 517.383 5.621 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1Cl 58895068 ZJZQUBAETSXJGK-VGBOAXCZSA-N 507.030 6.010 50 10 KKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 59116612 OGAVUDJFPBEFJY-UYRXBGFRSA-N 518.436 6.386 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 59333259 INVRGWOSSWWEEX-LHLOQNFPSA-N 508.578 5.158 50 10 KKGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100184753 HRPOVNCNBGEWIR-UHFFFAOYSA-N 611.562 5.737 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100189749 KMFPBXNLKJCQML-UHFFFAOYSA-N 545.261 5.361 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100208594 KVCCBOJXAMIYKT-UHFFFAOYSA-N 550.247 5.240 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(F)c1 100235818 NGFZNODJJBGAES-HOFFDHMBSA-N 569.471 6.258 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 100335928 JJPAQUUEOLUVPI-RGVLZGJSSA-N 603.254 5.865 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(Br)c1 101363450 ILIUPYCVBDHQLO-NRFANRHFSA-N 526.184 5.649 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)c1 101375120 IIIYVVXWRWYJMR-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101376997 RTDXRDXONALEQK-CUFYGPSYSA-N 549.454 7.399 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 101377957 VVCXIBKQOFUNRR-JRPXNJEYSA-N 544.623 6.766 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384655 MOYAKNLPQIMHQK-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(F)cc1 101389301 PRFCGOKRSXQUPH-PMERELPUSA-N 615.455 7.003 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393743 AZSBEFVGAWDQIU-PMERELPUSA-N 601.486 8.402 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 101620269 YDOVLVWUFTXXMJ-GZZLJNBRSA-N 541.604 5.779 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1 101906883 YRDKAOQTEIVPEL-PXNMLYILSA-N 523.641 8.061 50 10 KKGE C=CCOc1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 102630920 BPEAODZCQAQQCO-XDJHFCHBSA-N 504.036 7.406 50 10 KKGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 102845424 QUCRWJZGMKVSEE-DIBXZPPDSA-N 567.070 5.893 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC(=O)OC 103880522 CKROIIRGPLNDSW-OPEKNORGSA-N 550.203 5.002 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C#N 103887868 SGHNKNBZOVWUTP-NHDPSOOVSA-N 549.368 5.605 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 150428952 YVJSXKUOAFICDJ-ZZJXEYPFSA-N 669.208 6.916 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1OC 150497615 DZPCSYDKEFCVFW-AWSUPERCSA-N 691.810 5.566 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C)c1 163796583 YZDKFVAUXXQNMM-IPPBACCNSA-N 633.280 6.850 50 10 KKGE CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](Br)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3 252616955 KJMGDBGFBNCRQT-LEVNDHNQSA-N 521.624 7.611 50 10 KKGE CC(C)(C)c1ccc(-c2cc(C(=O)NN=Cc3cn(Cc4ccccc4)c4ccccc34)c3ccccc3n2)cc1 252621674 NEIFTHVQVICQGW-UHFFFAOYSA-N 536.679 7.966 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)NN=Cc2c[nH]nc2-c2ccccc2)c(Br)c1 254308898 SJOPQPQGYQCMAE-UHFFFAOYSA-N 590.360 6.845 50 10 KKGE O=C(NN=Cc1cc(I)cc(I)c1O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 254484485 BYTVPEFURJDEBG-ZPHLSHKRSA-N 663.253 5.079 50 10 KKGE CC[C@@H](C)c1ccc(OCCn2cc(C=NNC(=O)CSc3nnc(C)s3)c3ccccc32)cc1 254797088 HJBYJERZLJQOFQ-GOSISDBHSA-N 507.685 5.636 50 10 KKGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254822995 SJJUZZDZUFELAQ-UHFFFAOYSA-N 523.589 5.118 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1cc(C)c(C)cc1C 256028314 FETWFDJYSWXOOV-UHFFFAOYSA-N 625.614 7.113 50 10 KKGE Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O 257620231 XGGIVXWAYKZBIV-POARQGIFSA-N 547.903 5.493 50 10 KKGE Clc1ccc(I)c(COc2c(Br)cc(Br)cc2CBr)c1 405280907 BLLFNGRLJHUSGB-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34C=C[C@]5(C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@]3(C)CC[C@]12C)OO4 616588628 IAFGRXRTUBXMRK-LQCIXUPHSA-N 618.852 5.078 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591278 XORYGFNCJVGENP-VIXUMDEUSA-N 795.014 9.608 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083879205 XUPJDGLQINGIJK-MRXNPFEDSA-N 582.347 7.116 50 10 KKGE N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 1083980848 LLIROUHNQQNGIU-CAPFRKAQSA-N 522.483 5.662 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc(C)c(C)c3)c2C)cc1 1084035626 UZHSMJJKXQSIKY-UHFFFAOYSA-N 502.703 7.389 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084087056 UZWSVKILNKMAGM-QHCPKHFHSA-N 618.211 5.845 50 10 KKGE Cc1ccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c(Br)c1 1084095433 FWCMTONPFPSIAT-UHFFFAOYSA-N 538.445 7.548 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 1084118453 ONSLRWZSJNDCCZ-UHFFFAOYSA-N 538.047 6.112 50 10 KKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(I)c1 1084264480 VBJOYLGJTXFVJP-UHFFFAOYSA-N 500.405 5.879 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccncc1 1084273290 RTFMPCANMURYMJ-UHFFFAOYSA-N 525.571 5.000 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084311900 NVWMLRLHUYTXMO-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1 1084362635 LGDPMUDKLYTCJZ-SANMLTNESA-N 690.319 6.592 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084379256 DIVPWAPJIQCJHI-UHFFFAOYSA-N 688.376 8.229 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 1084399172 HEBKVLVCEKHMNX-MTJSOVHGSA-N 617.281 6.255 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)ccc1O 1084454763 JJQUXYPJKFDDAH-UHFFFAOYSA-N 564.509 5.543 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 1084458515 LLINBDAVKGALFB-UHFFFAOYSA-N 636.330 5.984 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1 1084493669 GCZYAVHZDXWNME-UHFFFAOYSA-N 623.573 5.909 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5Br)c(C)c43)coc2c1C 1772752161 WLHOUEORCASRPY-UHFFFAOYSA-N 548.437 6.365 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(C)c1 1772754920 YSCVOYSGLZEGSU-UHFFFAOYSA-N 552.121 6.992 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823245 ZRUBSRQZTJNZTN-MTAGGHJXSA-N 502.785 5.481 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Cl)c1 1865683570 MRVWNJBZSILVCG-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865688355 QBQACZIALHZHLX-NDEPHWFRSA-N 527.024 5.742 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865693837 ZSGUEOHJOKFJAK-XMMPIXPASA-N 572.463 6.102 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865696299 LVEXTRNSWJFGTK-AREMUKBSSA-N 521.061 6.664 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1cc(Br)ccc1F 1865702150 NZZWUEIWNAOBMA-INIZCTEOSA-N 511.248 5.209 50 10 KKGE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711532 AUCVJZMJDWHLFE-PMERELPUSA-N 520.633 6.224 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867048390 AEUIQXXOKZZBOQ-RUZDIDTESA-N 512.660 5.682 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1872757309 ZQFLSLNSCBEBBK-SILNSSARSA-N 509.842 7.739 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1OCCC 1872790211 RTDUOEQRVNLEEB-YBFXNURJSA-N 507.568 6.131 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 1872793854 XQNFBYPZPPONNZ-HYARGMPZSA-N 516.066 7.571 50 10 KKGE CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1906132431 TYWMFBRQNUKAQI-SCSAIBSYSA-N 514.675 6.583 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cccc(Br)c1Br 1916394800 PFPQQUYUQMGHGH-AWEZNQCLSA-N 520.059 5.264 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)c(F)c2)c1Br 1922897330 MQJBAQSRWWGKFP-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924593303 DLZSBUOFUWTQHI-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2sccc2Br)c1Br 2024294220 KULLBGIGKZKVEE-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C[C@@H]1COCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476663 DYPPJHGISCTLAC-FWXDICJISA-N 540.315 6.689 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2cc(Br)c(Cl)s2)c1 2172413149 UTDSUVQTUJLNQV-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COC[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206399248 DWUREPTWAXHUBQ-QWHCGFSZSA-N 600.765 6.368 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2207259568 BGZHHMBWXZLQHC-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2218596133 CZXXZKQCAADWET-SNVBAGLBSA-N 505.805 5.331 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1ccc(Br)cc1Br 2255965881 ZNFTVLMHLQMDSD-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)c(C)c1F 2279147118 RIBWTZFHDKYKEV-ZDUSSCGKSA-N 515.961 6.433 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1csc(Br)c1Br 2285079813 MZFASOKGQBOJNT-CYBMUJFWSA-N 503.481 6.989 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(OC)c1 2287084232 NZJWWRPHFBSJQN-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC(Br)=Cc3ccccc3)nnc2-c2ccc(C)cc2)cc1 2296154652 RVDKWYJDBBJASJ-UHFFFAOYSA-N 562.493 5.881 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1 2313568010 NJSHBXAXJZERQQ-UHFFFAOYSA-N 509.375 6.420 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 2313570732 DZKZNUUWMGINMU-UHFFFAOYSA-N 511.361 6.215 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1 2313728163 TYLBOJSUHRDEBD-UHFFFAOYSA-N 513.391 6.736 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 2313730219 HDLJNSLSRDUDLW-UHFFFAOYSA-N 517.412 7.670 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(C)=C(C#N)C2=O)cc1OC 2314616940 NJBMTHLBAQWQLG-UHFFFAOYSA-N 502.954 5.452 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634401 MVWDVSBGPOYCDR-UMSFTDKQSA-N 580.725 7.789 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 2314646784 NXGPQJJYDCMLHY-AREMUKBSSA-N 652.704 5.002 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1F 2331336223 VNSPSTOJLPPUTG-LLVKDONJSA-N 509.784 6.634 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1F 2331337624 NIFMLAIUWIGOLG-HXUWFJFHSA-N 509.584 5.168 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3cc(Cl)ccc3Cl)n2)cc1 2331344708 HDWCBTVVRIAHJX-UHFFFAOYSA-N 501.479 8.501 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331443493 VPIHEOVHLDRVTN-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1scc(Br)c1Br 2339654470 SVRCZBDWEKSVFN-JTQLQIEISA-N 556.314 7.574 50 10 KKGE FC1(F)CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)CC1 2349807551 IIZXTNGEUGCGGA-QWRGUYRKSA-N 507.982 6.185 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360480969 HBFLEMFFKKKMEK-SNVBAGLBSA-N 509.826 6.184 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228341 NHMMFQFDIMXCQN-OOWWRKSUSA-N 503.353 7.029 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)cc1Br 2365215129 HLDPEDRGGJAEMC-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Clc1ccc(C(CBr)(CBr)Cc2sc(Cl)cc2Br)cc1 2372289003 PZCKZZXJWLWDMI-UHFFFAOYSA-N 521.927 7.088 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cn1nc(C)c([N+](=O)[O-])c1C 2945988 JYVVAHYGTRYCTL-UVHMKAGCSA-N 534.400 5.081 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 33911194 ZESMHPARGCRFBX-XWLATVRVSA-N 529.593 5.764 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)o2)cc1Cl 38688681 CKTQOXIOHSPQEU-HSZRJFAPSA-N 513.377 6.511 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccccc4c3C)ccc21 38701442 CZZVXCYHPFHOOZ-MUUNZHRXSA-N 508.574 6.748 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 39885021 WKMRJSLTOBZHOF-OQLLNIDSSA-N 502.220 8.204 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100061581 CNNAWYUNCWQHEF-UHFFFAOYSA-N 603.311 5.724 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240991 DDRNTNDACJHKNM-LVVXZCGBSA-N 550.511 6.859 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246061 QMPGRLMITIUCJR-SCHJHDHGSA-N 584.063 7.856 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101340557 XGDWMTVMTMBLOI-BLLKKSLCSA-N 558.613 6.103 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 101367952 OBUOHIJLHLLWCP-LJAQVGFWSA-N 532.568 5.606 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101375625 RTSHRPCZZNREMC-PSXMRANNSA-N 602.731 8.000 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380683 BQARQQUZLMXLAD-HKBQPEDESA-N 536.559 5.916 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 101381291 MVGVKBIUIMTTIS-YTTGMZPUSA-N 601.486 7.392 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101393363 XFVJMAAYJKTFKU-LJAQVGFWSA-N 611.522 7.653 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101397194 WQNGGXDZQJWOGT-SSEXGKCCSA-N 609.550 8.569 50 10 KKGE CN1/C(=C(\C#N)C(=O)C/N=C2C(=C3\Sc4ccccc4N3C)/C(=O)CN/2CCc2ccccc2)Sc2ccccc21 102848826 YWZIHKGMCDFDQE-ZQVNYWSPSA-N 577.735 5.512 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 102848944 XHOPUPTYLCCTPD-UQQQWYQISA-N 579.487 8.279 50 10 KKGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N\NC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1 104614748 DKNJCXNFEYEIPD-WQJLQGQTSA-N 541.607 5.052 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1 105071506 NNOMHTBSTHLXNH-MHDJOFBISA-N 569.872 7.577 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 105626720 YCYNANRSGWJRPR-RAWMCFOBSA-N 526.601 6.392 50 10 KKGE O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2)cc1 105682593 QCTKARYZZYCROS-LTTYKRRRSA-N 579.465 5.354 50 10 KKGE COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1cccc(I)c1 109750706 MHHWVQWMCVDIGG-NDENLUEZSA-N 573.394 5.583 50 10 KKGE COc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(OC)cc1Br 134289266 GWWFZSBULLDQSH-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461449 ZQGHWAJJLTZHIE-GDLZYMKVSA-N 663.966 8.886 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1OC 150497924 PAZPWVZVMQPHBG-PPOKSSTKSA-N 668.725 7.110 50 10 KKGE CNC(=O)c1ccc(C(OC(=O)[C@@H](CSSC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1 199051721 WDAYYBIPIJGPKJ-KXQOOQHDSA-N 730.952 8.969 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 205652006 WOOZXBYIGONFSW-KELAWDMXSA-N 516.553 6.324 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205656824 ZEMDIEFLWODJKC-QVBDUPRKSA-N 510.590 6.101 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)OC[C@H]1OC=C[C@@](C)(O[Si](Cc2ccccc2)(Cc2ccccc2)C(C)(C)C)[C@]1(C)O 253478237 JYMIUPGUKAMKLW-QSBCFWLISA-N 707.116 10.061 50 10 KKGE Cc1cccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 254893996 GOWZACPJZONTSA-UHFFFAOYSA-N 516.601 5.956 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)sc(C(C)=O)c1C 256017574 UEPDNNZJSIQBGZ-UHFFFAOYSA-N 509.584 5.179 50 10 KKGE CCC[C@H](CBr)COc1c(I)cc(Cl)cc1I 383812863 VQJZSLGIAHSRMJ-MRVPVSSYSA-N 543.408 5.739 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 405071226 GTVCCEQSUFLKPT-SNVBAGLBSA-N 528.801 7.528 50 10 KKGE ClCc1nc2cc(Br)ccc2n1-c1cc(I)cc(I)c1 690394442 CUJOTIOOYBUKPH-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE O=C(NCc1ccc(Cl)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237346 DQVIFITTXSWKDP-FQEVSTJZSA-N 501.357 6.050 50 10 KKGE CON(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3O 725238849 XZQBRLRNHXZLEG-BTEFCABXSA-N 674.055 7.997 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083856797 WBMWCRSSABJAKU-UHFFFAOYSA-N 589.117 5.945 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1 1083930274 GOFZKRLACARLOP-UHFFFAOYSA-N 503.396 6.575 50 10 KKGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1083957088 XKOIAIZLHNRCSE-UHFFFAOYSA-N 509.937 5.013 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084116929 VVAOHTSFCZEPLV-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 1084132559 JGVVUHQAGCHPGW-UHFFFAOYSA-N 563.035 5.716 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1 1084139665 BYAMOOSOYVQPAS-UHFFFAOYSA-N 578.260 7.454 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(I)cc1 1084153340 FYGQHACDBWDJEG-SANMLTNESA-N 598.481 5.961 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 1084230801 KDAJGCHFZAIVHR-UHFFFAOYSA-N 724.983 7.363 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084288007 GYIBMBVQJPPVBO-GVVNTEAZSA-N 541.717 6.692 50 10 KKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084594925 POTNEYPSDNMNRK-JOCHJYFZSA-N 673.113 5.961 50 10 KKGE C/C(=N/NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC(C)(C)C)C(=O)NCc1ccc(C)cc1 1615525629 ACJLTYPKDUOQRH-QQNOBIMGSA-N 584.717 5.214 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743587 CSSXGJDTKGJKGL-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746974 JHPGTSQIIUPBRD-UHFFFAOYSA-N 513.797 5.483 50 10 KKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747840 GJFGXZSQWQRQSU-UHFFFAOYSA-N 505.618 6.391 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748064 HWAUUXCRMFVXSP-OAQYLSRUSA-N 517.629 6.168 50 10 KKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772749941 SFRLTRMNBQBRLH-UHFFFAOYSA-N 514.409 6.000 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1772754936 AXEIOMMWPWXEII-UHFFFAOYSA-N 558.512 6.947 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1772755215 UXELHLIEXDSCTH-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]2[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC 1848434912 CBYATNWDDXHUQS-ITMAEYBNSA-N 781.541 9.191 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865686227 SKCODCFRDTZHBJ-HXUWFJFHSA-N 528.226 7.371 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686403 VILRNWSJTNZNEV-XMMPIXPASA-N 517.416 6.440 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865690928 FEXQCHLIKBNUKE-HSZRJFAPSA-N 571.903 6.315 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865691694 ZBWXHMCJIAVWQG-MUUNZHRXSA-N 514.670 6.297 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865703266 RWXJMBFKDJUUOF-DEOSSOPVSA-N 517.416 6.853 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704904 HKVYDPSCTBIUQG-AREMUKBSSA-N 524.552 5.079 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713037 PBOFZCGMVXDAAO-XMMPIXPASA-N 517.416 6.440 50 10 KKGE CCCC[C@H](NC(=O)[C@@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207564 JMKAMCRUPSCFOE-GMAHTHKFSA-N 546.531 6.474 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4cccc(Cl)c4)CC3)n2)cc1 1868528155 ODBPPXMYSSJGPD-UHFFFAOYSA-N 558.107 7.560 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 1872747561 ISNWGMVAMPVMGM-RFBIWTDZSA-N 521.598 5.997 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c(OC)c1 1872793731 QAGWFMGCAHGYAS-LFYBBSHMSA-N 522.218 6.122 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1csc(Br)c1Br 1916395575 UDQYAQZXFVDOOB-LBPRGKRZSA-N 526.088 5.325 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923054529 GSRXGQRUCZZDPN-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Brc1cc([C@H](Br)c2csc(Br)c2Br)sc1Br 1937734536 LCDLUOPFORGIAZ-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 2065891217 WHVDEEOMJXXFMW-ZCFIWIBFSA-N 586.767 6.324 50 10 KKGE CCc1nn(C)c([C@H](Br)c2sc(Br)cc2Br)c1Br 2072303624 AGYZTTIEPBFHLN-VIFPVBQESA-N 521.898 5.816 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)c1C 2082885767 SPDJTIWMCUERAS-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)co1 2085495411 KIYMSEPBIQINEP-LBPRGKRZSA-N 522.256 6.966 50 10 KKGE Cc1c(Br)cccc1COc1c(Br)cc(CBr)cc1Br 2143691279 JQEBQUYVJGHETP-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2206401001 UNBBFHIKYFRIMI-AATLWQCWSA-N 594.805 7.999 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1I 2212992113 IRHKFMCDIWRONC-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1I 2212992114 IRHKFMCDIWRONC-NSHDSACASA-N 550.879 6.670 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)c(Cl)c1Cl 2224317948 SGDMJVXWRULQRP-MRVPVSSYSA-N 548.736 8.324 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)cc(C)c1Br 2227424751 NHECINQZSDRVTI-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1Br 2234468633 DUYVGMDKAXLOHB-LBPRGKRZSA-N 631.247 8.506 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2248214533 QOEXMQHPKQQLGO-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc2sc(Br)cc2s1 2263617358 FKQQTHZOPFFFMA-VIFPVBQESA-N 507.519 7.687 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2c(F)cccc2I)c(F)c1Br 2282889857 XCKNKPBBFFASTF-LBPRGKRZSA-N 523.887 6.094 50 10 KKGE Fc1cc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(Cl)cc1Br 2282899003 MGZHNIYWNWJWNG-ZDUSSCGKSA-N 509.797 7.281 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(F)cc2C)cc1I 2285943494 KGLFITHONYGXHQ-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccccc2)cc1 2296506778 DVLOEBYJHOSBNV-MHZLTWQESA-N 511.647 5.097 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458642 OWDPVISZKIIERO-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(N3CCC(Cc4ccccc4)CC3)nc12 2297462388 PJCWOMNJTFLYRB-UHFFFAOYSA-N 517.658 6.136 50 10 KKGE N#CC(=C(C=C(CC(=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 2297534628 DJWDGZLINXMBMC-UHFFFAOYSA-N 628.320 8.911 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(I)c1 2303549657 YDCDDEWXXLOMOA-HNNXBMFYSA-N 522.608 5.045 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518599 KUINEFZZPBNUEF-UHFFFAOYSA-N 607.275 7.430 50 10 KKGE O=C(C=Cc1ccccc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313621536 ZRGZDIRNJVTZEF-UHFFFAOYSA-N 538.623 5.258 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCCC2 2314480761 PHAHVUMHVWWJDA-UHFFFAOYSA-N 522.630 6.202 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314499313 BCRVRUZORHZGNZ-OAQYLSRUSA-N 527.627 7.269 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2314534107 YQLMLTSBWOHNHF-UHFFFAOYSA-N 528.952 5.171 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 2314617469 YWKVHGGZZIHMFS-UHFFFAOYSA-N 514.585 5.383 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C(C)=C(C#N)C2=O)cc1 2314619739 DMDJIUMXQPJHCE-UHFFFAOYSA-N 544.611 5.391 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314620936 WMSKPSPGHZVKNU-UHFFFAOYSA-N 586.692 6.562 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314640605 ASGLIUOSLUOOFS-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1OC 2331242518 KEZFAJYOXGHHEE-LBPRGKRZSA-N 521.820 6.503 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331331276 ZUOHPOFJMAWHKD-WNSKOXEYSA-N 501.564 5.085 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c1 2331376667 FIQIDCZYMHRFJX-UHFFFAOYSA-N 519.450 7.566 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 2331412757 FCQIUYVTNGPKFS-LBPRGKRZSA-N 507.395 6.403 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OC(=O)c3ccccc3)cc2)n1 2331467167 LCRZIGVBPLIQTR-UHFFFAOYSA-N 507.398 7.409 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336079553 UXMOJRCOWJQVRZ-FQEVSTJZSA-N 502.580 7.444 50 10 KKGE BrCCC[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349835511 XAMAIGHSXAUOOM-CYBMUJFWSA-N 501.044 5.583 50 10 KKGE Brc1cc(CO[C@H]2CCCCCC[C@H]2Br)ccc1I 2350068953 UDMCSEASFTVGKW-DOMZBBRYSA-N 502.028 6.057 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)c(I)c1 2365599988 YFXFUMWCJDQIRL-AWEZNQCLSA-N 530.958 5.812 50 10 KKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2377264222 SBTGQGZVANGOKG-MRVWCRGKSA-N 514.083 6.822 50 10 KKGE CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1 8399482 CQICPJUIJVNKQQ-AREMUKBSSA-N 593.934 6.809 50 10 KKGE COc1cc(/C(C)=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(OC)c1OC 12601195 QAYBEQWAAFECKB-FDAWAROLSA-N 509.562 5.180 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2Cl)cc1 33608922 LWAVOAQEBTWEMY-YBEGLDIGSA-N 512.305 5.675 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C\c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3nccs3)n2)cc1 35519502 NNTQKDKLWTVFMH-ZDLGFXPLSA-N 503.565 5.565 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(=O)Nc1nccs1 35520034 ABVRQIOKYXKSHF-MKMNVTDBSA-N 503.367 5.022 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 39884895 PJFSJMRUDQWNNS-LZYBPNLTSA-N 501.386 7.078 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 40530028 BBRSAJQXWRQAOC-HMILPKGGSA-N 516.569 5.986 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812219 XJUCCEYEHKZJTM-BGABXYSRSA-N 523.549 5.450 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100030581 HSRLTDMTXNAFHZ-UHFFFAOYSA-N 564.274 5.268 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1)[C@@H]2Br 100921740 ARFXSCUBPJDMKC-XPGWFJOJSA-N 531.082 6.431 50 10 KKGE N#C/C(=C(/O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 100989869 RKLOLUYKUKTPOX-PGMHBOJBSA-N 518.219 8.089 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101079312 UNTFTGSKJNVCJG-WPWMEQJKSA-N 545.777 5.635 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241320 QUEFMYLAIMHSJD-GHRJURJJSA-N 509.675 6.170 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245956 GJDVULSHDVFMSC-UZEPBSNMSA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101338125 QZEUGULNILWIIP-PPFNPFNJSA-N 590.683 6.953 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1 101340202 HUSKOKIBTFHUBN-TZDDYMTFSA-N 570.649 5.706 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101368311 LFRRHRCVYCSHSS-AIKJVNBHSA-N 566.698 7.255 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 101369054 UMIHNBBNLXLIFL-RUZDIDTESA-N 555.812 5.622 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 101378191 UBWXFPLRUMWGHH-SANMLTNESA-N 533.422 6.455 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)cc(C)c5)ccc43)cc2)cc1 101378806 LGVGRPCQIADEII-MGBGTMOVSA-N 546.623 6.393 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382402 USPAESRYDDPODP-XIFFEERXSA-N 546.623 6.339 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382878 NNGUQYCAJRLPKM-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383076 QOUNUIZZOCIDOK-HKBQPEDESA-N 553.014 6.294 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccccc1Cl 101388336 JSPSZWILDCIDGH-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101393254 YZAURQWZPYAXRV-SSEXGKCCSA-N 566.654 7.373 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)c(OC)c3)c(C)c2c1 101399448 IWQWPXRUDKEOTJ-XIFFEERXSA-N 604.634 7.468 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 101620088 IXMJXZCZOMBQQD-WEMUVCOSSA-N 541.604 5.414 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 101702373 XLCMBWJPTIGEJR-DIWDRYHZSA-N 536.584 5.975 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 102685561 JRYOPUNCTHETHI-UYRXBGFRSA-N 526.401 5.749 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741413 XFURYMABJNNPLQ-RILMWAFASA-N 526.239 5.745 50 10 KKGE O=C(COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1)Nc1ccccc1 105064959 DALFKKDENXLBOV-VTNSRFBWSA-N 548.426 6.354 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)cc2)cc1 150415160 XJBLQJLQKXHKJH-WAJJMWJGSA-N 654.896 8.172 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150480782 UNBLOCRTHZKVQZ-OAQYLSRUSA-N 642.750 8.335 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccccc1C 150629548 NSPPVBCRDSCQHD-NVMNQCDNSA-N 626.800 7.405 50 10 KKGE O=C(N/N=C/c1cccc(Br)c1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)cc1 164358501 AKIXTGFMTGJSBG-LTTYKRRRSA-N 668.367 5.572 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205780724 SOLQCTCJWGAJKA-AOYMVWLXSA-N 662.768 5.643 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1C 206509149 PBBPAXHQBYVWKL-YIYCFAGGSA-N 540.616 5.642 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 214388183 PQXPQEHDNYNHHF-YSMPRRRNSA-N 544.567 5.069 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232344358 YJFBTRSRTKVKRW-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CCCCCCCOc1ccccc1C=NNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 252599899 DMJJKMZGBWWFIH-UHFFFAOYSA-N 542.101 6.035 50 10 KKGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)cc1COc1ccc(F)cc1 254316666 FEPVRPKMJGLMDC-ZEQKJWHPSA-N 635.540 6.808 50 10 KKGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CCCCCC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254381208 MUWXVVKPXRQIPU-UHFFFAOYSA-N 664.715 5.693 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(F)c2)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254484916 SJGOTJKONPZQER-MMSUECENSA-N 513.550 5.028 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)/C(=C\c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1 254629542 KLOFLLTVDBGJHR-SAPXOYMRSA-N 550.615 5.111 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(-c3ccccc3)cc2)c1 254696588 UXMJQCBZTFQCJZ-UHFFFAOYSA-N 514.581 6.564 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 254789436 RPIDFIKOKIXANY-UHFFFAOYSA-N 517.633 6.500 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254847310 YPRBMHRTGPCUIU-UHFFFAOYSA-N 600.627 6.233 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 263631778 UYSRASWDLLMJKW-UHFFFAOYSA-N 564.063 5.273 50 10 KKGE Brc1cc([C@H](Br)c2sccc2I)c(Br)s1 306640447 PPMOECRKPJIPEQ-ZETCQYMHSA-N 542.881 6.424 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616585915 GEYKFJRDKMXPMQ-PFEQKNEDSA-N 702.964 7.691 50 10 KKGE COc1cc(C=NNC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])ccc1COc1ccc(Cl)c(Cl)c1 1083879157 BYBIDCUPXZMJQG-UHFFFAOYSA-N 599.387 5.406 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1083903936 ZRDILTLNSISLSG-YIPSIMJMSA-N 525.674 6.321 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083927129 IXHVMDMEUMKZFW-UHFFFAOYSA-N 719.485 7.614 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1083940555 RJBXNFKTYMJAFZ-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1084004857 LNEHRYSVDGYLBN-UHFFFAOYSA-N 542.499 5.482 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1Cl 1084015463 LNOSDKFJTLJIEO-NDEPHWFRSA-N 551.083 6.409 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 1084041839 GVBGVPFKTBAULJ-MHZLTWQESA-N 517.025 6.435 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 1084043238 IMRDZXMJPSPUPA-LPYMAVHISA-N 587.474 5.531 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(Cl)c1 1084164185 ZQSSUTOICQNCPS-UHFFFAOYSA-N 520.976 7.137 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 1084168366 UPXBQHPAJOOCMZ-UHFFFAOYSA-N 654.129 7.884 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(C)c1 1084220955 JSXZNSULRJGBHY-UHFFFAOYSA-N 527.802 6.509 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084263317 OAAOOVXRKDRVLZ-UHFFFAOYSA-N 527.646 5.553 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 1084529802 XGECACVNIYTLMP-DEOSSOPVSA-N 563.851 6.183 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cccc(Cl)c1 1084544812 WFYMDTXDPFCFDY-UHFFFAOYSA-N 500.805 6.170 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc(F)cc3)c2)cc(OCC)c1OCC 1084624033 RLKGNVYMIRSOQX-UHFFFAOYSA-N 510.562 5.373 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1 1084645649 GKYWUUDQEVFCPA-VWLOTQADSA-N 555.469 5.708 50 10 KKGE CC(C)Oc1ccc(C(=O)N(C)[C@H]2Cc3cc(Cl)ccc3/C2=N/NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1614015105 CCIGCKNHTYZKJN-VIPOOOAHSA-N 574.987 6.249 50 10 KKGE CCOC(=O)C[C@](O)(CC(=O)N(C)C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)OCC 1848433240 PCOZIZLWPQTCSP-VVFBEHOQSA-N 625.952 6.229 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688487 SWPXZLNHNGNNRZ-NDEPHWFRSA-N 575.496 6.980 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3cc(C)ccc3C)cc2)cc1 1865694135 UPCBFORHAQQTMK-YTTGMZPUSA-N 552.678 7.321 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865694583 XKJDHODXGFXNCW-SANMLTNESA-N 560.576 6.455 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865695052 ILEOQIGJFZIJGM-MUUNZHRXSA-N 520.633 6.320 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695358 BVMJHCNDYWAWRU-HSZRJFAPSA-N 577.410 5.441 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1O 1865696871 SNDLIZMSINVSSR-QFIPXVFZSA-N 529.394 5.543 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OC 1865697568 WTFUONZYKVABTE-MUUNZHRXSA-N 554.622 6.152 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865702728 CRQBIJCTGRXRQG-GDLZYMKVSA-N 506.606 5.744 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705563 ZBJGMSWWEKOYLD-SANMLTNESA-N 508.553 5.460 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711707 GGICRQSVGVMAHP-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987975 GUUCFWBWVUQOMH-LOSJGSFVSA-N 506.027 5.479 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc(C)c(C)s4)CC3)n2)cc1 1868320963 RJDZOBYIGMZYKI-UHFFFAOYSA-N 512.708 7.226 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751583 OBZXDVWSRQBTOX-NMWGTECJSA-N 500.486 5.229 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2cc(Br)sc2Br)s1 1900917790 ARNCNXRIPMCYCU-SSDOTTSWSA-N 532.875 6.921 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923065551 DRNVPCDEJYZSJJ-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924579971 MNIHCEBIFVLUHM-LURJTMIESA-N 574.777 7.344 50 10 KKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 1925584293 IOPKLGQNXMFUET-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Cc1ccc(-n2nc(C)c(C=C(C#N)c3nc(O)c4cc(I)ccc4n3)c2Cl)cc1 2040469215 DDOIEEOCONJJDW-UHFFFAOYSA-N 527.753 5.460 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2050467635 NVBJVBYCMMPIJX-QMMMGPOBSA-N 500.385 6.889 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 2069358255 YCOIJPSIDUQDNN-WHUKDLILSA-N 812.448 5.694 50 10 KKGE COc1c(C(C)(C)C)cc([C@@H](N[S@@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1C(C)(C)C 2080746159 BCSWMDYGGCPTPC-DARANPQKSA-N 746.010 10.621 50 10 KKGE C[C@@H](N[S@@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C 2080775427 HUPHIJGZTJYATN-IJENORETSA-N 541.697 6.989 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1scc(Br)c1Br 2082381651 GONFNADMUZOWBO-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE F[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499646 JJTGECGLBXSRTO-SFYZADRCSA-N 586.635 7.073 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2csc(Br)c2Br)c1Br 2093941938 GONYGYYJFOBEDH-ZETCQYMHSA-N 519.427 7.444 50 10 KKGE BrCc1cc(OCc2cc(Br)ccc2Br)ccc1Br 2118518596 AGVVTFDVFUFRJQ-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121754 BRKHKTQBNVYYGE-LDYMZIIASA-N 545.907 7.687 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@H]32)c1Br 2141473040 KFOPZFFQRAUYCS-IXULNIHHSA-N 582.750 6.455 50 10 KKGE ClCc1nc2ccccc2n1-c1cc(Br)c(I)c(Br)c1 2151779328 UJJFXURGLFAQHU-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 2202347648 VXANJNGEWDJTTR-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)oc1Br 2218602434 FTOPJWQZGBXDHU-NSHDSACASA-N 505.801 6.499 50 10 KKGE COC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(C)C1 2266429412 RGSAROLHIVJXOI-SKPUXYCPSA-N 584.766 6.988 50 10 KKGE C=CCC1(CBr)CCN(c2ncc(I)cc2Br)CC1 2272093316 PTNOZVMSDKPSHE-UHFFFAOYSA-N 500.016 5.006 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 2297459500 GBLIMZNIDOFZOY-UHFFFAOYSA-N 539.997 6.559 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2297672148 KMKYUDVSLLABCT-SANMLTNESA-N 580.637 5.397 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1sc(Cl)cc1I 2301084517 URUNZLWJRGSWIL-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE COc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1I 2313510988 HTNJFRGPTPOJDG-UHFFFAOYSA-N 558.157 5.067 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl 2313521437 NZXDYZUZWBDMNF-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1 2313540590 IYMCMFRDOLPHMS-UHFFFAOYSA-N 571.471 7.524 50 10 KKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 2313631471 QQFHXWVYSBUXQN-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314610206 DZNGHXWEFRACTM-UHFFFAOYSA-N 556.666 6.819 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2331030753 MVQBAGYBLWZEJS-UHFFFAOYSA-N 557.680 7.327 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 2331349163 WXGAKPXMRHTZCO-JOCHJYFZSA-N 500.605 5.502 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCc1ccc(C)cc1 2331474118 GLKFJPYNMJIVEC-UHFFFAOYSA-N 517.050 7.741 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2cccc(Cl)c2)c1Br 2362228492 DUJJRBBSKQLEKX-SECBINFHSA-N 505.834 7.336 50 10 KKGE Cc1c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)nn(C)c1Br 2362230210 YCXSPOPCROZQPR-SECBINFHSA-N 554.277 6.293 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1F 2365215743 NDJQEMQPOTVSTD-LLVKDONJSA-N 533.830 7.045 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2nc(C)sc2Br)c1Br 2365227248 CZJHGMAWOCSZKZ-JTQLQIEISA-N 504.469 6.384 50 10 KKGE Brc1cccc([C@@H](CI)OCc2ccc(I)c(Br)c2)c1 2377611164 HUEMKWSICSLATK-OAHLLOKOSA-N 621.876 6.509 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1cc(Br)sc1Br 2380938584 ATKBFFWFSZPTBB-CQSZACIVSA-N 501.509 7.796 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 29491674 XEGVEJGKTCOTIR-CLCOLTQESA-N 569.687 5.514 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1 33920698 SPTFZWKNSWRJOO-ZHZULCJRSA-N 517.006 7.359 50 10 KKGE CCCCCCOc1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 35583034 DPKMHMSRAAWFSQ-LQNQUEJISA-N 518.639 5.243 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38650840 RRMSEXBPWDNLOV-NDEPHWFRSA-N 518.997 6.030 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651507 FSIDIRCTHODGNE-XMMPIXPASA-N 503.352 5.451 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1 38684696 MIVHWCSBLKCRPE-PMERELPUSA-N 512.606 5.931 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccccc1Cl 40911092 LVIOIOOOWCQVDT-UVHMKAGCSA-N 517.807 5.528 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 58889517 QKHARDBSRRUCQK-CNIQOEEMSA-N 507.417 6.690 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100064534 WRDPKNBBDFQPJR-UHFFFAOYSA-N 563.084 5.112 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 100154425 GZEAJUZXOWXXSE-INIZCTEOSA-N 526.486 5.446 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)cc1 100238482 YWHKUBCMXXDCRR-KJTWNORHSA-N 616.496 5.940 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 100883633 ZMLWMRSZUCJIAX-FSGOGVSDSA-N 552.055 7.110 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245622 HIUVUUWHHWJYSU-MZOFLMDJSA-N 538.456 6.375 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101337611 LBPRXVIDFOVPIH-RCCHARBYSA-N 528.612 6.210 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 101339813 KNOVHMWXZHGEEP-WYMPLXKRSA-N 512.949 5.440 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101370612 DIPDJGJEHZYFBE-ZBJMMJAPSA-N 538.644 6.618 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCC(C)C 101374180 QUOJMMYOKCQWCF-AREMUKBSSA-N 549.421 5.930 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101378975 AJQIAWXDDOSTSP-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385864 ZGQHMZMBEVTUBL-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101396407 SHKKGSRNKFTCIX-LJAQVGFWSA-N 595.523 8.035 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101396575 JFPYXFMHFGCKJP-LJAQVGFWSA-N 557.046 7.709 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611978 PLADDVGPJVLIRI-UXHLAJHPSA-N 534.827 6.345 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1ccccc1 101621082 SYBOBFJIXQERBT-YVLHZVERSA-N 574.353 6.040 50 10 KKGE CC1CCN(c2oc(/C=C\c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 102617954 LMTCUDNVBKRXDG-FCQUAONHSA-N 529.644 6.701 50 10 KKGE N#C/C(=C/c1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 103759685 OSLCETFDQDPBAE-NSIKDUERSA-N 521.654 8.145 50 10 KKGE N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)S(=O)(=O)c1cc(Br)ccc1Br 104847329 PWKLWAUTMOSNFD-QPEQYQDCSA-N 538.139 5.051 50 10 KKGE Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2NC(=S)N[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)cc1 150418920 GJWAXEDSCJWXKC-RUZDIDTESA-N 671.072 5.329 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 150432006 PFIASDZLVRITSX-APTYXWLQSA-N 646.478 5.330 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 150442466 RWCFRGRPYSAVSD-RVSCTIAXSA-N 670.399 5.751 50 10 KKGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc(OC)c1OC 150480358 FXNPZAPBAAQESB-OHUYPAJKSA-N 632.467 5.710 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481795 ALWCFOSAAAIDBH-HHHXNRCGSA-N 702.830 10.185 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 150497896 IRUSAWTYOPRRIQ-KCSSXMTESA-N 655.110 7.293 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 150574896 HUKYURXJHYYUDD-MHDJOFBISA-N 628.306 7.327 50 10 KKGE CCOC(=O)c1nn(-c2ccc(C)cc2)/c(=N/CCSSCC/N=c2\sc(C(=O)OCC)nn2-c2ccc(C)cc2)s1 169477776 XCNNIQYSJKKWFE-ZUELCTOOSA-N 644.870 5.034 50 10 KKGE CN[C@H](C(=O)OCc1ccccc1)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(OC(C)=O)c1 197230603 PIIPLYWSPZGWKA-KYJUHHDHSA-N 563.767 6.585 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 205669203 DYLGZVVFRIIESU-VVFPGYIVSA-N 578.596 6.259 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214227445 ZHQRGASFRQAJPW-FSGOGVSDSA-N 560.629 6.650 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214273802 CURRZSQFXXPMGR-DXPRGPITSA-N 597.741 5.208 50 10 KKGE CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)[C@H](O)OO[P@@](=O)(O)OCC[N+](C)(C)C 223492308 DALKEAUKKXBTQN-QGLXLGCQSA-O 554.682 5.018 50 10 KKGE COCCOc1ccc([C@@H](Br)c2ccc(I)cc2)cc1Br 229016675 AOHKBODCTHRSLG-INIZCTEOSA-N 526.006 5.563 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)cc1C 235839404 OXWVDYRTRPEERG-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 253534608 UISXOAJBTYXLPL-ZMKFJYSGSA-N 633.701 6.787 50 10 KKGE O=C(CSc1nnnn1-c1ccccc1)NN=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 254392701 YIZHAWKUTOKVQY-UHFFFAOYSA-N 671.202 6.316 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254448314 IFUXWQKSQWORJD-UHFFFAOYSA-N 530.580 6.167 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1 254833653 UBJQUGGNFIQIHN-UHFFFAOYSA-N 730.868 10.877 50 10 KKGE C=CCOc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254876084 PPIFUNKGBZMZQW-UHFFFAOYSA-N 528.612 6.447 50 10 KKGE O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254876582 AFRMDGMTRQDNPA-YUIISZGHSA-N 509.509 5.939 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ncccc1Br 311774512 WMYNGDXDFNRQCR-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)OC2 575232214 OSEKHTMTABJUIJ-OBHYSCIESA-N 711.010 5.700 50 10 KKGE in-vitro CC(C)(C)OC(=O)NCCN1C[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616686059 WEPZBRLEAOYMDS-RUZDIDTESA-N 511.783 6.749 50 10 KKGE BrCC(CBr)(Cc1ncc(Br)s1)c1cccc(Br)c1 713637252 DELGYYFQXZYDBD-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Fc1cccc([C@@H](Cl)c2cc(Br)ccc2Br)c1I 721681855 VIKQKWLUNIATAA-GFCCVEGCSA-N 504.362 6.284 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(Br)cc1 1081105015 FIQHLFHUQXQLQM-UHFFFAOYSA-N 521.333 6.210 50 10 KKGE CCC(C)=NNC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 1083853544 LQPOINBKFVOUSN-UHFFFAOYSA-N 558.498 5.677 50 10 KKGE C#CCOc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Br 1084051045 AQSXGGGYKNRDCE-UHFFFAOYSA-N 599.141 5.650 50 10 KKGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1 1084351157 FNVXJDFMBBYTQP-UHFFFAOYSA-N 526.783 5.358 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2I)c1 1084365520 YSLPSUWNTPERMT-QHCPKHFHSA-N 607.286 5.905 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084375242 WLGGDAXPEWBADK-PXLXIMEGSA-N 628.308 5.888 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccc(F)cc1 1084515049 ORTDTSXXZXBULL-UHFFFAOYSA-N 503.555 5.491 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084536582 VQHOLUSAMWLCAV-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 1084620358 PLKAHNZIIXZCNK-UHFFFAOYSA-N 713.313 6.093 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1084649774 XDPQGRGKAPOLKD-UHFFFAOYSA-N 613.567 5.793 50 10 KKGE C[C@@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1085897476 PRCMMETVWMEYKS-HARZOLGZSA-N 649.070 6.282 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 1614611878 LVQSCLBKGHGMFF-GFQMWEAGSA-N 554.597 8.375 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744348 VDOAODSRABKEJM-UHFFFAOYSA-N 547.780 5.569 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1Cl 1772755976 WOYLEIPXJMSKRA-UHFFFAOYSA-N 587.942 7.297 50 10 KKGE C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O 1848439733 JHJCMTXXQWTQJC-SHOBBIJISA-N 637.107 9.508 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686511 WRJWVFLADWMXHJ-QFIPXVFZSA-N 521.379 6.271 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCCc3ccccc3)c(OC)c2)cc1 1865687999 GGIQDAMVXAQYFK-NDEPHWFRSA-N 508.578 5.038 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688570 VIGFXFZZZQGQJF-PMERELPUSA-N 571.637 5.791 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865691174 LQARVTCGYOFBGV-NRFANRHFSA-N 529.822 5.612 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865692053 IAVNEFVGDLHQBY-QHCPKHFHSA-N 539.430 5.358 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694451 VNWWONALOAIEPU-LJAQVGFWSA-N 538.623 6.219 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695027 IAWUGXQGLFUQCQ-OAQYLSRUSA-N 523.902 5.737 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865696169 XWUPQUDRPXYTNZ-AREMUKBSSA-N 543.023 5.886 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865698226 NWFCMJNQQHHBEN-DEOSSOPVSA-N 531.399 5.895 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701509 XDEBIVAAJXXLQJ-MHZLTWQESA-N 561.469 6.606 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702470 AUTHFBVMDZYHPM-VWLOTQADSA-N 503.389 6.285 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1C 1865703242 QZGDJPCQZZWYNU-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1OCc1cccc(C)c1 1865705508 XKJNRCYKRCXOKL-PMERELPUSA-N 572.640 6.852 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705809 GLEHXYVVXHSZMK-SANMLTNESA-N 508.578 5.156 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990686 MEWZPIXTRBYTRJ-SHQCIBLASA-N 517.651 5.383 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)c2ccccc2)cc1 1867132158 OSMZZMYKLODONK-ABYGYWHVSA-N 527.596 6.556 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1 1868207622 PRCURFYJJQCQTO-UMSFTDKQSA-N 555.707 7.545 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccc(Oc5ccccc5)cc4)CC3)n2)cc1 1868320185 FBFJTJIEAWHISJ-UHFFFAOYSA-N 570.722 7.888 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc(-c3ccccc3)n2)cc1 1868364972 JXEQAMDAXUOFPY-UHFFFAOYSA-N 514.054 7.162 50 10 KKGE COCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H]1C 1868414369 LQEZMMKIULVNET-RTBURBONSA-N 509.079 5.659 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc3cc[nH]c3c2)cc1 1873497559 WNJUDVFQBUFCKS-SRLBMSEASA-N 510.638 6.585 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Br)cc2Br)c1Br 1922935765 RXZYVZVDNJJXKM-NSHDSACASA-N 503.879 6.828 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc(Br)c1 1923049475 LYSWNITTXMYZKJ-QMMMGPOBSA-N 524.297 7.173 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1csc(Br)c1Br 1924063327 PCTYMSCOLWXMFO-QUBYGPBYSA-N 518.894 6.670 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924601492 XWSQNNMWAAFBDG-VIFPVBQESA-N 598.774 7.291 50 10 KKGE FC1(F)C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784627 XHIXYBCWGDRREZ-CLTAVNFZSA-N 562.666 6.828 50 10 KKGE Brc1cccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2094669439 QGHUPODIJYGITD-ZDUSSCGKSA-N 529.917 7.397 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)cc1F 2112343544 BBXDYOQAUITSAH-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE FC(F)(C1CCCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 2128816795 OUWQKRCEZNNDOV-SECBINFHSA-N 545.907 7.687 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Br)c2F)c1Br 2138851004 JADAVMVOQCJVOL-CYBMUJFWSA-N 515.840 6.906 50 10 KKGE CCc1nn(C)c([C@H](Br)c2ccc(Br)cc2Br)c1Br 2138874973 AHOAOCWSHMBEEP-LLVKDONJSA-N 515.869 5.754 50 10 KKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470098 DUXFHXMYVAPXRE-JQWIXIFHSA-N 592.736 7.649 50 10 KKGE Cc1cc(Br)c(CBr)c(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c1 2173449477 GEQKAIFEZPHHFK-UHFFFAOYSA-N 502.241 6.000 50 10 KKGE COc1c(C)cc([C@H](Br)c2ccc(Br)cc2I)cc1C 2207273993 YMMRCSILUMLMBU-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE C[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2214911485 VVJOWULDWNOLJD-KORWRZNCSA-N 554.740 7.219 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2229147430 KDKZXVZJPPZHJK-QMMMGPOBSA-N 572.769 7.974 50 10 KKGE CC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC2(CC(F)(F)C2)C1 2238842504 BHXBRKSROPRFKR-MRVPVSSYSA-N 513.467 7.531 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(C)cc(C)c(Br)c2C)c1 2241001448 OYFSVYMCXXJJMO-QGZVFWFLSA-N 508.035 6.772 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)cc1Br 2267740606 QEYALWATQUMGTR-CQSZACIVSA-N 562.840 6.748 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)c(C)c1Cl 2283199645 IXNGSNWQNAFTIC-CQSZACIVSA-N 501.871 7.620 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)cc1I 2283579175 BBHWOADIODVOIK-CQSZACIVSA-N 528.409 6.126 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)c1 2293198230 LVVZQPWDVRCRGJ-HSZRJFAPSA-N 536.426 5.962 50 10 KKGE C=CCc1ccccc1OCCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccc(C)cc1 2294593214 GYVDMLBQBBMPNT-UHFFFAOYSA-N 517.423 6.490 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521356 IKWXPUVWTABKAP-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314500221 KZOIBROCPZBTQU-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591991 JACHMZXNPBOKMQ-HSZRJFAPSA-N 538.456 6.375 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314592202 NUIXMFUPHBGEMQ-RUZDIDTESA-N 570.036 7.349 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634644 SMFHMCZCOJOXFJ-SSEXGKCCSA-N 545.035 6.755 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314640744 VIDGVJBURKSTGM-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 2314738037 GRIAXSHBWWYTGK-UHFFFAOYSA-N 561.034 5.988 50 10 KKGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 2314785615 FRKFMDAYMBODDG-UHFFFAOYSA-N 543.458 5.181 50 10 KKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c(I)c1 2317774834 SEHJZLUCGSUZIE-QMMMGPOBSA-N 516.840 7.451 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(Cl)cc1I)C(=O)OC(C)(C)C 2317801997 RKHPSBUPIXXSOG-GOSISDBHSA-N 593.671 5.912 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)CC2=O)cc1 2331404574 RBUDVSAROIAFMC-QGZVFWFLSA-N 512.462 7.305 50 10 KKGE CC(C)(C)N1C[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349850821 GZHQNISUCIZLQL-YPMHNXCESA-N 501.044 5.090 50 10 KKGE Fc1cc(Br)cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362248814 DMFIRPCEQFRYAG-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)c1 38658956 KIGOAIXDNGPFRO-AREMUKBSSA-N 500.551 5.320 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686561 FKDWBCQTGAZVFX-MUUNZHRXSA-N 519.513 5.611 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811793 CENRFFYFSBCVJR-VFCFBJKWSA-N 506.400 5.414 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 58893902 ZNUFGSUPDGKOFS-QUCVJYLXSA-N 515.437 6.243 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1Br 100173414 ZXVVILQSCGMFKL-UHFFFAOYSA-N 577.545 5.486 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 100234118 QHCVSRWXSSQDFH-PUHPAURBSA-N 594.539 7.343 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 100452648 IFDQSQHDWMNHEU-FHGMEZPKSA-N 557.488 6.874 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 101304926 FFBPSCJRJSYNNS-NDZAJKAJSA-N 554.650 6.513 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101337087 WYWVTQKNDLBGFT-RELXFMCYSA-N 570.649 5.890 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101367706 HNXQLBMRTXSOKO-GDLZYMKVSA-N 530.577 5.085 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OC)c2)cc1 101367734 KRFXNZNZWILNEE-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101373538 XUDHMWCQUAWMRE-SANMLTNESA-N 549.421 6.074 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCC(C)C 101374289 PTOYLWLNJHVFSQ-MUUNZHRXSA-N 534.996 5.586 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385870 WWEDWVUHDXXSBZ-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386472 CSIRKEZHZBFAAI-WJOKGBTCSA-N 553.014 6.294 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101398047 GUBQSPBUAOHATK-NDEPHWFRSA-N 565.050 7.571 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)sc2c1 101398049 WHFGOPSQNGEDNZ-GDLZYMKVSA-N 579.077 7.880 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399067 JBCPFMZFBXYZTD-JGCGQSQUSA-N 590.607 7.214 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(Cl)cc2Cl)c1N 101531855 UVDQBAWPTFYUFH-UHFFFAOYSA-N 537.580 8.016 50 10 KKGE COc1ccc(/C=N/NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1 103706984 MLYPFTHIFYWTBN-OCSSWDANSA-N 540.670 5.674 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 103806443 BBJCUXSQDOMNDQ-IAKLXJKWSA-N 586.655 5.194 50 10 KKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1Cl 103877221 VFLGOYHAFHJZRK-IPPBACCNSA-N 520.814 6.924 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1 103880532 UTLRFBRQRBVYOD-KKMKTNMSSA-N 546.190 6.440 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)S(=O)(=O)c1ccccc1 110559135 ZOKMDINCJKQMED-XHLNEMQHSA-N 572.712 5.442 50 10 KKGE Cc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(c1ccccc1)c1ccccc1 113523305 WHLQQRGHOPIIMQ-UHFFFAOYSA-N 550.622 7.487 50 10 KKGE Brc1cc([C@@H](Br)c2ccccc2I)sc1Br 128199605 JYCLHNCROYOGER-JTQLQIEISA-N 536.852 6.362 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Br)cc1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 150363528 WOVLNLWGPSNBIS-YZRTULSPSA-N 659.005 7.996 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150480606 XJIDKFCIEXZIQX-MUUNZHRXSA-N 622.302 7.772 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 150485138 LINBUHHAWRMIHT-SSEXGKCCSA-N 635.475 7.556 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205655096 MVWDVSBGPOYCDR-RWKWVMDUSA-N 580.725 7.789 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 206288298 WNDKNXAGRJKEQK-UZWFIJHESA-N 507.583 5.752 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214277865 DBIYNDDPDFSVDF-CVUJBZCGSA-N 526.596 5.655 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)sc2Br)ccc1I 232342125 LOWOXROACBGWHD-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2I)c(Cl)c1 236066166 KSCQPJRFTAQYDF-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1 254309517 ODUDBRGBWNWESU-UHFFFAOYSA-N 582.726 6.106 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254527192 UNHUVDDGFGGJLG-UHFFFAOYSA-N 556.531 5.890 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](CCI)[C@](C)(CCI)[C@@H]3CC[C@@]12C 254558234 KXOSGSAMSSIDCR-BUSHEVSOSA-N 626.489 9.574 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254771146 IREVAUBIHAYWNP-ALPNJANWSA-N 649.704 5.980 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)cc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254815429 UMLDPLAJLRVROQ-UHFFFAOYSA-N 515.639 5.194 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@H](O)[C@@]1(C)O 256001228 SGGANCFJEHZNCI-YCRDUKBQSA-N 979.452 7.344 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 256025032 MIMJWSMERLGFQY-AWVULHNESA-N 533.281 10.127 50 10 KKGE CC(C)(C)OC(=O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)CC1 616572836 PICFECNNUKCCIL-UHFFFAOYSA-N 515.006 5.034 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585709 FAGFLKDXAVYVFV-MMKSVXGCSA-N 672.973 7.366 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 1083877686 ATAYRFVQWQELOR-HHHXNRCGSA-N 561.476 6.544 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1Cl 1084024957 DIHPRJZNGQOQMW-UHFFFAOYSA-N 522.226 6.498 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1 1084035003 QEKYCYWDHALXBY-UHFFFAOYSA-N 578.260 7.454 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1084042851 YGSUNHPGAWBLMR-UHFFFAOYSA-N 642.606 5.968 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(O)c(Br)c2)cc1 1084058577 VEXAGFRXUZECML-UHFFFAOYSA-N 508.803 6.338 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)Cc2ccccc2)cc1 1084077715 SQWHQFMMUGQXST-UHFFFAOYSA-N 583.541 6.051 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)o1 1084247814 MILXBQSATDSKKT-UHFFFAOYSA-N 547.192 6.625 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084319524 IFKHOGSJNARSOA-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084418407 UPEBLMCMGGYDMP-KPKJPENVSA-N 623.015 5.760 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084530787 PUIMLFXTNBUVKD-UHFFFAOYSA-N 544.389 5.432 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cc2ccccc2cc1O 1084540287 KHXYWGHQMORHCO-UHFFFAOYSA-N 508.641 7.055 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc3c4c(cccc24)CC3)cc1 1084594939 WYMHUHWXBCOCCE-UHFFFAOYSA-N 518.038 5.322 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1C#N 1084631624 NTGPXOBNVCJEEN-NDEPHWFRSA-N 527.621 5.237 50 10 KKGE C[C@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1614015197 KENYEGMSTFIWOC-MFEIOIHYSA-N 522.886 5.722 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686014 QFVJFDQNHSBTMT-IBGZPJMESA-N 508.236 6.716 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688006 GIPITXJUVYOTDH-HKBQPEDESA-N 550.618 7.081 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691540 VERDHGDVAZNFPT-AREMUKBSSA-N 539.051 6.472 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692356 LNDVDMBAAGBNIQ-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693131 LVDJCTJJPRHVCH-WJOKGBTCSA-N 570.649 6.662 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695134 KWAXQLMHQVLFOL-PMERELPUSA-N 571.637 6.057 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695647 FOQSTTGKVQCTCG-QHCPKHFHSA-N 559.420 5.302 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OC(C)C 1865696572 HWYCUGQJVYEPCJ-AREMUKBSSA-N 510.569 5.751 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865697654 YTVVGNMENWSRJE-HHHXNRCGSA-N 559.041 6.797 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700966 INKUWFIKGMFFRS-IBGZPJMESA-N 504.896 5.381 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cc(Br)cc(Br)c1O 1865700973 IRKSGWCVFNGHCK-HXUWFJFHSA-N 564.237 5.988 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712389 XEVIDWCSYINPRT-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866740701 NDELHPRCDPIZNB-URLMMPGGSA-N 531.697 7.018 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)c1 1868301101 KQQMBTNBTCGSHA-XIFFEERXSA-N 555.707 7.930 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1cccc(Cl)c1 1872728551 IMZJYPZFXBHRCL-RGVLZGJSSA-N 515.953 5.817 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745214 XYUHIVUZNSAICZ-SDXDJHTJSA-N 501.307 5.114 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872747972 AYDREGZTPWCBGW-JRURIKFDSA-N 511.990 6.164 50 10 KKGE Cl[C@H](c1csc(Br)c1Br)c1sc(Br)cc1Br 1922888319 YZFUIVNNSBVYOT-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923063312 XYPHGVIMLKKJKY-UWTATZPHSA-N 501.334 6.950 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCOc3ccccc32)c1Br 1924601092 VCEACDWVKQTYPU-KWQFWETISA-N 545.916 7.038 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 1924605195 NTXYCZLLPXXVND-FUYZFFOTSA-N 509.883 6.039 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CCl)ccc1Br)Cc1ccccc1 1946828719 ZDTIQTKRDOPYHD-UHFFFAOYSA-N 521.908 5.511 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)s1 1948823245 LZTZGGBMSVUAGY-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CC(C)C(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 1986772670 GWYIQOZBZLQZHU-ZCFIWIBFSA-N 505.842 6.763 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1I 2026130684 KWBCVNRXECHAIC-NSHDSACASA-N 550.879 6.670 50 10 KKGE Cc1sc([C@H](Br)Cc2ccccc2I)c(C)c1Br 2027332961 BOBUJJIZBFHUBL-LLVKDONJSA-N 500.037 6.411 50 10 KKGE Cc1cc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Br 2040756255 XBDMPTGBWZPADW-UHFFFAOYSA-N 510.907 6.981 50 10 KKGE CC(Cl)=CC[C@H](CC=CNC(=O)[C@H](NC(=O)C=CC=C[C@H](C)[C@H]1CC=C(C)C(=O)O1)C(C)(C)C)O[Si](C)(C)C(C)(C)C 2060405695 AIDDXVULOZKDQT-QIBGPLTASA-N 621.335 7.471 50 10 KKGE C[C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@@](=O)C(C)(C)C 2080759522 XEDQKICLGCSFKO-NSFIAJOSSA-N 555.724 7.331 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CCOCC2)c1Br 2085494610 MUSIERZTTMYHTE-SNVBAGLBSA-N 570.739 6.599 50 10 KKGE FC1CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501203 WTENLVFYFIIVHO-AHXFUIDQSA-N 572.730 7.311 50 10 KKGE CC(C)(CBr)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2108758348 MVOPMZRVFQTJOQ-UHFFFAOYSA-N 563.857 5.069 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2125297656 BVXZYOCPVPWXFB-AQNXPRMDSA-N 503.775 5.440 50 10 KKGE COCCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468015 FVAHCYZSJJRUCU-LBPRGKRZSA-N 540.315 6.833 50 10 KKGE Cn1ncc(Cl)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468812 NXHGDIMTPREAFB-JTQLQIEISA-N 556.705 6.452 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396302 VFRNSMJMNQUCDK-SSDLBLMSSA-N 610.726 8.151 50 10 KKGE Fc1ccccc1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397351 IFXCXFRTNYGXRM-QMMMGPOBSA-N 594.736 7.554 50 10 KKGE Cc1c(F)ccc([C@H](Br)c2cc(I)ccc2Br)c1F 2231078562 HQHUFJXCTCCOPY-ZDUSSCGKSA-N 501.934 6.125 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c(Cl)c1Cl 2232511422 KBSYBEHVIUJPMX-LLVKDONJSA-N 542.707 8.263 50 10 KKGE O=C(Nc1ccc(Cl)cc1CBr)c1cc(Br)ccc1I 2239461300 FWQHMLFLIPJCAU-UHFFFAOYSA-N 529.397 5.854 50 10 KKGE Cc1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263511942 ZFUAAHFIMUSTBV-SNVBAGLBSA-N 518.894 6.418 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3scc(Br)c3Cl)cc(Br)c2O1 2279292135 JLGWVGOPBIODJN-UPONEAKYSA-N 501.465 6.734 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(Br)c1Cl 2283564730 ZUSIRTJPDRTQSI-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 2293190870 DYIWGZIKHRHKCD-UHFFFAOYSA-N 512.606 5.509 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818716 OGJHIJRQMFHSCP-YRARYPEESA-N 785.163 13.456 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2295372063 DZFWVZFGGFGARP-NSHDSACASA-N 523.899 7.381 50 10 KKGE N#CC(=CNc1cccc(C(F)(F)F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295891350 CGGCLLFSJBAYOC-UHFFFAOYSA-N 518.314 6.674 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12 2296373968 MNCUOSJLCNWEKE-UHFFFAOYSA-N 515.363 7.162 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570655 CDDOORQNNVRSQS-UHFFFAOYSA-N 577.056 6.006 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571572 ZJJCIWYIWGAUJS-UHFFFAOYSA-N 574.205 6.594 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313667402 MFASGSSZHDHVPW-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@H](CC)C2 2314571526 GQQHAGMSADBGGY-HNNXBMFYSA-N 543.472 7.552 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591681 BCIMUFXISDEFQR-DEOSSOPVSA-N 504.011 5.804 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C(C)=C(C#N)C1=O 2314611301 SPEMXDYJFFBAAK-UHFFFAOYSA-N 536.676 6.809 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617269 VACSZBGAZBICKK-UHFFFAOYSA-N 600.675 5.956 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314618533 PEJHHPLKYIPHEQ-OAQYLSRUSA-N 563.455 6.655 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 2314619063 ZEXOFSWAYJWCGS-UHFFFAOYSA-N 564.045 6.169 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620764 UPHKYDSIBNPGCD-UHFFFAOYSA-N 522.601 5.508 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)cc(C)c1Br 2316596942 LRATUPQRZFJKCS-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331305790 UXQWQVZBZKLZCM-AREMUKBSSA-N 521.598 5.909 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331392186 ZTMJCBGQOCBQMY-UHFFFAOYSA-N 508.768 6.335 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2337084192 IMZCJBKUPMMTRE-LJQANCHMSA-N 519.035 7.911 50 10 KKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337097286 LDGYXZZUOWWNPG-NSHDSACASA-N 511.863 7.465 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)cc1Br 2338705475 NTICTTZWLYSXMN-SNVBAGLBSA-N 515.869 5.809 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1ccc(Cl)cc1I 2340052524 PQIOMLGDRGKWKG-SNVBAGLBSA-N 505.565 5.058 50 10 KKGE BrCc1cc(Br)ccc1OCc1ccc(I)c(Br)c1 2349812448 YKEIBVAXZGBHRD-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc3c(s2)CCC3)c1Br 2362229218 IRSREOAEZBDXBV-GFCCVEGCSA-N 503.456 7.039 50 10 KKGE Fc1ccc([C@@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362239167 KXCHGIOHNKERHT-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Cl)cc2I)c1 2366879151 XLMOMEUWRGFGDM-AWEZNQCLSA-N 504.420 7.320 50 10 KKGE O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1ccc(Br)cc1 2896329 GUUBPDFTOQIVIN-KPSZGOFPSA-N 555.846 5.206 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145543 WPTTVJLTNAWYAO-XEQLZJSWSA-N 505.699 6.379 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)c(C)c2cc1C 38688285 PXEKBOLATRESPU-VWLOTQADSA-N 519.384 7.102 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824061 FTEAXVNVVHIZFI-UXHLAJHPSA-N 504.896 5.488 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1Cl 59427544 KZZNGHULPAJYBV-FMFFXOCNSA-N 510.424 7.882 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1Br 100173401 IKRCBRZYELUEJS-SFHVURJKSA-N 564.546 5.636 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc2ccccc12 100335666 AJXJXTJREHBQIT-OEAKJJBVSA-N 574.418 6.886 50 10 KKGE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 101035791 XOOFVPJKRYSYKW-RGEXLXHISA-N 567.158 5.270 50 10 KKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cccc(OCc4ccccc4)c3)c3sc(=S)[nH]c3S[C@@H]12 101202106 MHWSCCDLCGTTKK-CKZWKVAMSA-N 507.658 5.573 50 10 KKGE CNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101240559 GKWWUXQQOLDOGR-IRJMIRDBSA-N 507.965 5.654 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245969 FAHVDKWIMFWWAZ-RAMZYJDASA-N 570.036 7.295 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101361640 QYZGLCPRQKTNSX-VWLOTQADSA-N 521.367 5.050 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101366497 BMJZRWZBIJFQJA-CLVJJCCZSA-N 523.372 5.848 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 101368408 CJHOCZZVOKTJRO-HKBQPEDESA-N 556.659 6.736 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 101368598 GRWUHFKZMPPUFX-SDFSIIPZSA-N 553.398 5.856 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381514 NGKTZQJJDHNDCC-PMERELPUSA-N 549.539 5.376 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383932 JONKKORJPJMIQH-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101388239 GUMNEJABOXELTE-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101393035 QSQZMBBBGVHQRG-GDLZYMKVSA-N 538.600 6.675 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101393243 HKYLMLNEXLLWDM-PMERELPUSA-N 587.072 7.718 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2c1 101397971 OXZXNFUKCAYMDO-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c(OC)c1 101599419 NYHHSOCHEKXUFK-TURZUDJPSA-N 526.387 5.090 50 10 KKGE CCCC/C(C)=N/NC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 103749367 OTNVXRJQKUBRMB-MWAVMZGNSA-N 586.552 6.458 50 10 KKGE CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103796453 CIUROGVSKHMMSW-KCSSXMTESA-N 590.474 5.930 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 103878281 BMINPXAPEZDIST-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 103879591 CVVSTDRQLGXMPC-IPBVOBEMSA-N 552.639 7.498 50 10 KKGE C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(-c2ccccc2)cc1 105466537 ZILOGAFEBVVWSX-RHANQZHGSA-N 552.266 6.951 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Br 109869800 NWAGXFUVCYSHOB-NSHDSACASA-N 519.878 6.529 50 10 KKGE O=C(CSc1nc2cc(Cl)ccc2s1)NNC(=O)c1ccc2cc(C(=O)NNC(=O)CSc3nc4cc(Cl)ccc4s3)ccc2c1 150431158 FWKWYLGGUQKNTL-UHFFFAOYSA-N 727.702 6.473 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433439 OSPFDSBSSQWCFK-WJOKGBTCSA-N 651.930 8.070 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433651 BEAPCEUCXZAMSI-PMERELPUSA-N 632.456 7.317 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485770 ZVAMMVOFYYNQFM-MGBGTMOVSA-N 631.512 7.400 50 10 KKGE O=C(c1cccc(N2C(=O)c3ccc(Oc4cccc(Oc5ccc6c(c5)C(=O)N(c5cccc(C(=O)c7ccc8c(c7)C(=O)OC8=O)c5)C6=O)c4)cc3C2=O)c1)c1ccc2c(c1)C(=O)OC2=O 150627759 CFCRKCHMJMNWRU-UHFFFAOYSA-N 900.764 7.956 50 10 KKGE O=C(CSc1cccc2cccnc12)Nc1ccc(SSc2ccc(NC(=O)CSc3cccc4cccnc34)cc2)cc1 164130024 QHBQNAUJVXANJV-UHFFFAOYSA-N 650.876 9.044 50 10 KKGE CCOc1cc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214344221 RSJALOZWBGLUOO-MFSPXNBESA-N 506.602 6.326 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 226423772 ZATGYRPVDYINRF-VDYOSWSPSA-N 660.840 5.211 50 10 KKGE biogenic Fc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1Br 236246776 PHSLEGWTIHZEPU-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE O=C(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc(-c2cccs2)nc2ccccc12 254733915 NEKSLYXRURYNRF-UHFFFAOYSA-N 524.649 8.197 50 10 KKGE C/C(=C/C[C@H](O)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 306146448 IDHLZOWJDYQQSB-JVBZCUFESA-N 738.237 10.845 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 380143021 VUFQVRQORLDVRA-CQSZACIVSA-N 528.409 6.126 50 10 KKGE O=C(OC[C@@H]1O[C@H](Cl)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 503926481 XVLSIQHWHHLLPV-BJESRGMDSA-N 584.235 6.219 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C 504093908 SPHUIJWPZSWHEE-MMVXGTOWSA-N 510.923 10.671 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OC2 575232210 OSEKHTMTABJUIJ-IYRUISHXSA-N 711.010 5.700 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586202 FFXHNCNNHASXCT-GKXVFDJZSA-N 988.212 11.054 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591247 XIJUVZWMRLQMRZ-DGBPFYGOSA-N 834.994 7.822 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1F 721615076 QUGVPPCMRRBDKZ-NSHDSACASA-N 584.793 6.718 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1 725409906 LITBCKRRUDRUOB-NDEPHWFRSA-N 591.502 6.553 50 10 KKGE O=[N+]([O-])c1cc(Br)cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 725444169 OCIXEGBWCIVANV-MAUKXSAKSA-N 501.162 5.008 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2cc(Br)ccc2o1 1083920121 AXOAFDBAQHDUGP-UHFFFAOYSA-N 541.232 7.269 50 10 KKGE COC(=O)COc1cc(Br)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1083940833 QAMYDDJGXUSLGA-UHFFFAOYSA-N 576.447 5.540 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1ccccc1Cl 1083946837 QKOCAFSPXBDSPG-UHFFFAOYSA-N 516.873 6.639 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 1083984112 PPVDFQRMHPLYQK-UHFFFAOYSA-N 523.976 6.828 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CSc3ncccn3)cc2)c(OCc2c(F)cccc2Cl)c1 1084063929 KGEGGPKAHFGERI-UHFFFAOYSA-N 578.113 6.751 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084077576 PGQSPKCLKKXTQF-UHFFFAOYSA-N 625.604 5.223 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 1084148371 BOBCVVIEKSQYPI-NRFANRHFSA-N 545.817 5.374 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1084393621 OYXYWCIFCRGTDP-UHFFFAOYSA-N 680.768 6.704 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084505392 LZKOAVWIQJPGRF-UHFFFAOYSA-N 648.410 6.505 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 1084556872 LYQVMCMHFABWOM-UHFFFAOYSA-N 500.646 6.186 50 10 KKGE CCC(CBr)(CBr)COCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1 1384856420 QUTALDDSZVAFDG-UHFFFAOYSA-N 542.352 7.504 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)cc1 1772745482 BMMXNGJYPSVJCS-UHFFFAOYSA-N 521.577 6.735 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1cc(C)c(Cl)c(C)c1Br 1772756496 BWRJQWWRWXVERD-UHFFFAOYSA-N 518.633 5.410 50 10 KKGE CC(=O)OC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)c(=O)oc2cc(O[Si](CC(C)(C)C)(c4ccccc4)c4ccccc4)ccc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1848441158 GIYGVWJENVEBND-CAHJICMQSA-N 824.908 5.120 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685889 OJLKFLMRJQZPNU-VWLOTQADSA-N 531.443 6.749 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OCC 1865691316 PHNBDFIJIOVMEP-HHHXNRCGSA-N 535.088 6.723 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccccn3)cc2)cc1 1865693424 OFISBIUMSNTPJT-JOCHJYFZSA-N 503.484 5.392 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694297 WKJYSTXASGUKCE-PMERELPUSA-N 575.068 7.307 50 10 KKGE CC[C@](C)(NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867087991 MYESNRAXWMNMPK-PMERELPUSA-N 524.646 5.570 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)c2ccccc2)cc1 1867089026 IPGYIVFJMLLRRJ-WJOKGBTCSA-N 558.663 6.143 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(OC)c2)n1 1868253681 PYKQJKHZONGNGC-SSEXGKCCSA-N 523.662 6.143 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4cccc(Cl)c4)CC3)n2)c1 1868506190 SZANNCUQVDZCSX-UHFFFAOYSA-N 557.123 6.487 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751626 QEFJQVRPCRKQMC-DAFNUICNSA-N 513.525 5.877 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872755859 JWPNLNAJDZSMKK-SPICPHANSA-N 513.663 6.920 50 10 KKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 1872755973 OMWFJXANLMGEJS-SILNSSARSA-N 505.423 6.958 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl 1873496943 FUBLIGQOBHWMIJ-CCVNUDIWSA-N 503.382 5.509 50 10 KKGE O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)C1(CBr)CCC1 1915740116 DBWPXUHOGDSVQN-UHFFFAOYSA-N 522.100 6.233 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923065356 BGMWUFWWKVBEQC-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066234 NELHGPJGLCIQFB-VIFPVBQESA-N 538.324 7.482 50 10 KKGE CC(C)(C)c1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924599831 MCHVTTURCJXSOP-LLVKDONJSA-N 545.960 7.817 50 10 KKGE COc1c(Br)cc(Br)cc1C[C@@H](CBr)NC(=O)OC(C)(C)C 1975072424 PSILQPRICSBMHI-NSHDSACASA-N 502.041 5.051 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OCc2cc(Cl)ccc2Br)C1 1993165438 GMFMTEUIJCDLNQ-UONOGXRCSA-N 516.601 5.042 50 10 KKGE CC(C)(F)[C@@](C)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 2003229574 BSMSPTPOFURSKC-WKEGUHRASA-N 519.869 6.948 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)c(Br)s1 2003650270 TVVPALBFZKKDSI-JTQLQIEISA-N 554.842 6.501 50 10 KKGE Cn1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)n1 2005279463 OUVNYMZABWMMSW-LURJTMIESA-N 528.289 5.860 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2016553508 UUVHYWLHXNBSBS-RBSSIKTHSA-N 505.895 6.374 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1Br)C1CCC1 2031486926 ZSJXGWPZBWVJCB-UHFFFAOYSA-N 503.898 6.330 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@H]21 2051239764 NOQKEDSUQUOXSB-LPWJYYESSA-N 529.864 6.763 50 10 KKGE CC(C)N(C(=O)CSC(Nc1ccc(F)cc1)=C(C#N)c1nc2ccccc2s1)c1ccccc1 2053623143 HSZFSGLYGVYPBZ-UHFFFAOYSA-N 502.640 6.914 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(CCC(F)(F)F)Cc1ccccc1 2059266604 HNOUVJZJLYEGBU-UHFFFAOYSA-N 521.218 5.549 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1C1CC1 2085492481 LXPYLSVGCAZGGO-NFNXHLSSSA-N 522.300 7.063 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3COC[C@H]32)c1Br 2085497198 ZFXUXIYWTZYEEC-RUPFFVNYSA-N 568.723 6.065 50 10 KKGE FCCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085498103 LDRPNNXRLRAZHX-LLVKDONJSA-N 572.730 7.312 50 10 KKGE Cc1cc2sc([C@H](Cl)c3c(Br)sc(Br)c3Br)cc2s1 2100322122 FVHFQCQJLZCZOD-JTQLQIEISA-N 521.546 7.948 50 10 KKGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)sc2Br)CO1 2123200932 PFOINPZYIFJGFJ-AWEZNQCLSA-N 523.312 5.164 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)c(Cl)s3)c2O1 2172558739 AGAHOEMMWXPZJF-INWYIAFRSA-N 501.465 6.734 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2218967011 BJMISTJNTKREHN-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)ccc2Br)c1 2224050058 MBKZTMACOLMEIO-CQSZACIVSA-N 544.850 6.609 50 10 KKGE COc1c([C@H](Br)c2scc(Br)c2Cl)cc(Br)c(C)c1C 2284594711 MWBIHHHCGUCVOA-NSHDSACASA-N 503.481 7.036 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3ccccc3C)c2-c2ccccc2)cc1 2294168591 UCIKVMXUHZLZTH-UHFFFAOYSA-N 551.646 7.842 50 10 KKGE N#CC(=Cc1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295187839 ZXFYXHFTMQTVEO-UHFFFAOYSA-N 506.911 7.637 50 10 KKGE Cc1c(Cl)cc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295345810 QUEOBXFWDINKLX-CQSZACIVSA-N 546.322 7.615 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482916 BIABGVGJZNKVBT-UHFFFAOYSA-N 558.934 5.158 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 2295937331 XQXVRNMKUYUXBA-UHFFFAOYSA-N 577.018 6.605 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1 2296649573 KPHORVVJVUARSO-UHFFFAOYSA-N 567.907 9.112 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 2297458659 QRNWTAZWVSYATF-QFIPXVFZSA-N 522.399 5.653 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2297458681 TUQHYVJCHJXINH-HSZRJFAPSA-N 587.326 6.499 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2c(Cl)cccc2Cl)C(=O)N1c1ccccc1C 2297467141 IYXXGPXTFAKYEG-XMMPIXPASA-N 522.457 6.675 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518667 NVUSPHSCFRHXOY-UHFFFAOYSA-N 607.275 7.348 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl 2313521291 DKYHPFILRVKLEQ-UHFFFAOYSA-N 539.857 7.243 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 2313565306 KQLDNZUZROFYGX-UHFFFAOYSA-N 536.459 6.227 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C1 2314476384 NQJVJZDNONBYCG-DHIUTWEWSA-N 562.699 6.146 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)N1CCCCC1 2314477912 BSQFCJVCUKKHCK-UHFFFAOYSA-N 506.581 6.177 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 2314490394 YBDKNCYSGROFMI-UHFFFAOYSA-N 515.041 8.534 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(F)cc3)nc12 2314534041 WQIYTMVTQDHKAQ-UHFFFAOYSA-N 519.330 5.243 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592196 NQDMGFUUAQPVCA-RUZDIDTESA-N 568.482 6.466 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593550 OWLOHQJMYPZUCJ-HSZRJFAPSA-N 526.445 5.891 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314610627 KKQKNLJPAZZVMZ-UHFFFAOYSA-N 536.676 6.665 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314617517 ZPMWPTBFDDCUFU-QHCPKHFHSA-N 554.650 6.272 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634683 XJJCPSLWBJOLKW-HKBQPEDESA-N 540.616 6.110 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 2338025031 BPMDVWIVRXXYRE-CQSZACIVSA-N 534.482 7.205 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228340 NHMMFQFDIMXCQN-LSMXRSANSA-N 503.353 7.029 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2I)c1Br 2365597086 ZBUPPWAPMAFOBZ-NSHDSACASA-N 617.703 7.746 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)cc2I)c1Br 2365599255 VKIHZRJVAQSFMF-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1csc(Br)c1Br)CCCO2 2369619215 RKKPSDNNBNOMGS-GFCCVEGCSA-N 545.916 6.845 50 10 KKGE CC(C)c1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C(C)C)cc4)c3c(=O)[nH]2)cc1 9043032 ZQBYBBWIILATDX-XODNFHPESA-N 504.681 6.141 50 10 KKGE O=C(CN1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1ccccc1)N/N=C/c1ccccc1 33354640 LJOPRMFHKDQQRQ-NLLYSOFASA-N 604.508 6.259 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1 33404083 KQZFPCDTEJNCLO-LDADJPATSA-N 512.201 6.336 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650924 MPEGAPSZCVXXON-NDEPHWFRSA-N 519.513 5.611 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Cl)sc2c1 38687593 YVGNGRNAGITWBP-JOCHJYFZSA-N 507.398 6.954 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815536 PHURLUKDSFRMIT-DNGXXSEMSA-N 517.629 5.775 50 10 KKGE Cc1ccc(O)c(C(=O)[C@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCCO3)c1 100487737 JSWCUROPOOPIIT-JKSUJKDBSA-N 535.026 5.317 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 101083801 ZLDZRSMDBGFXNZ-YBFXNURJSA-N 527.518 5.708 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 101363863 KIONYSLRUWEWEA-SANMLTNESA-N 533.422 5.949 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380579 AGYZUGWRXCTCCK-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101383099 KTSZLPLKMLKMEW-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384087 STJWVIPHCXVFTI-PMERELPUSA-N 567.529 5.515 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387006 IBRPRYWODKLLRA-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602780 LDPUKFNEXYVWBV-CDSHQWRTSA-N 528.612 6.695 50 10 KKGE CCc1sc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2cc(Br)c(CC)s2)cc1Br 104981640 RNQJZNGZPJMSJJ-BKHCZYBLSA-N 604.434 6.400 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(I)cc2)cc1OC 109860060 PDRRPJAAZGCPDX-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150482177 MNRHVHCVAFONLR-SSEXGKCCSA-N 670.376 9.105 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2cc(Br)ccc12 150482634 ZNJPUVMQLQKPHL-PMERELPUSA-N 676.350 8.827 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl 164642934 ZXNKGPQXKGEPRM-ZSNJKBEMSA-N 675.954 8.062 50 10 KKGE CC[C@@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 169682107 MYLPOKATQGVMSF-KTXRWGQOSA-N 644.617 10.347 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205656295 CBWNUMLVJJPTRK-KKSJTPTLSA-N 510.590 6.020 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205780994 YWBUDWCHIOSEKV-GQCRFCPSSA-N 676.795 5.952 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1OC 206505443 YVRZMWNQXJERLR-WMCDJEJZSA-N 520.626 5.715 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C(C)C 206731224 XLBIZIGGLRHHPA-HMAPJEAMSA-N 502.567 5.318 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214345523 SBENMQLDACMKIE-ONUIUJJFSA-N 559.582 5.291 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1 214402747 VPRKRGWPGOJKNB-BZFSWPTRSA-N 670.769 8.115 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Cl 232345098 MFPJIWMGKSEUCA-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)Cc1nc2ccccc2o1 232478148 GAMCOAPUSLFPQT-LBPRGKRZSA-N 506.963 5.874 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NNC(=O)CC(=O)NN=Cc2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254614684 UIOMGZWZVTWVEB-UHFFFAOYSA-N 748.839 6.136 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc1OC 254703924 WZQZLUFBFLUMJW-UHFFFAOYSA-N 573.678 6.500 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254762731 KNFCOATZMDNYJT-UHFFFAOYSA-N 553.700 5.800 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 256017804 YLXWPIOBNPVMAU-UHFFFAOYSA-N 506.600 6.645 50 10 KKGE CC1=C[C@@](C)([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)C=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 575431822 WPPKIVXCCTVHEU-YACUFSJGSA-N 658.806 9.603 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 575627468 WAXZORJPNLBJCF-ZJKNCMPNSA-N 516.927 9.389 50 10 KKGE C[C@H](COC(=O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)O[Si](C)(C)C(C)(C)C 888086348 GBGSABGMRFQABY-FUFSCUOVSA-N 561.239 6.017 50 10 KKGE COc1ccc2cc([C@@H](C)C(=O)NN=Cc3c(SC)sc(SC)c3C=NNC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 1083921063 MEUVMYLFGUPQHN-FGZHOGPDSA-N 684.909 8.023 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2cccc(Br)c2)cc1 1083935432 PWUYTOROIQTDAR-UHFFFAOYSA-N 621.340 6.670 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084017558 CRCMFSKFHJFDRI-UHFFFAOYSA-N 645.634 6.867 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084057775 QQKIQNSFOXCSQB-VIZOYTHASA-N 673.088 7.393 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 1084157655 RXSQTXPTAIYUMI-UHFFFAOYSA-N 661.369 8.460 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084295538 OVEDVVSWMYNRMG-QHCPKHFHSA-N 618.269 5.468 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1 1084361458 BQHCSFHMJDCAQS-UHFFFAOYSA-N 565.205 5.405 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084528134 QJZZKEXXIFDZSO-UHFFFAOYSA-N 594.067 7.156 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc2ccccc12 1084575122 QOYYPAUMCRKKOL-WJOKGBTCSA-N 601.541 7.272 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\CO)[C@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O)O1 1307286659 GLZXZXWXNKWZIJ-LDLXWDHXSA-N 644.881 5.110 50 10 KKGE Cc1ccc(C=NNC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1565519556 WWTPNACLBWADGV-UHFFFAOYSA-N 524.857 5.296 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747414 HQQDNAVZLLBFDN-UHFFFAOYSA-N 514.365 5.404 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccccc1 1772752870 PTMASFFPLCBAAY-UHFFFAOYSA-N 548.231 5.328 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682017 DDFBSAFGBRVENJ-NDEPHWFRSA-N 518.661 6.740 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684925 BTKAKFOOVCOILY-JOCHJYFZSA-N 504.924 5.757 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685992 PFCDECIWJTYKAQ-DEOSSOPVSA-N 531.443 6.749 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686015 QFVJFDQNHSBTMT-LJQANCHMSA-N 508.236 6.716 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865687403 QJUBNXLBSUVLRR-QFIPXVFZSA-N 530.522 5.885 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc(Cl)ccc1O 1865689380 QYQLOJAZCZDLQR-JOCHJYFZSA-N 507.352 5.968 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865691495 UFDWXNGTHOFTKN-SANMLTNESA-N 579.539 6.832 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865692572 NHQJVOXDJXDKTQ-HSZRJFAPSA-N 541.421 5.547 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)c1 1865694342 UBSYOJRCLZUABM-HHHXNRCGSA-N 506.606 5.922 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865695233 AGEDRHDINJTJRD-MHZLTWQESA-N 530.669 6.401 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695916 VNQORCCZAMPPKN-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1c[nH]c2ccccc12 1865700016 IVWGFMIXSRXVNL-GOSISDBHSA-N 504.299 5.956 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1OC 1865701265 QTXCZZHTAOTIHX-SANMLTNESA-N 500.558 5.928 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865704144 OKXWVJDWJADXJN-AREMUKBSSA-N 561.469 7.073 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 1865704656 BDECVWHYSCITFY-DEOSSOPVSA-N 544.533 6.004 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706039 MFTIBGNJKJTICY-OAQYLSRUSA-N 504.333 5.972 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706246 RDMYKEDWVCPKAC-IBGZPJMESA-N 511.847 5.824 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706636 BLZOPAJVZRMJDB-GDLZYMKVSA-N 521.640 6.268 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706986 KOSKYXCUDYLPPJ-HHHXNRCGSA-N 564.086 5.342 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(OC)c1O 1865714473 LJYIGTOVKQMDII-VWLOTQADSA-N 508.578 5.156 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714795 QJTRIPZIZRVTCO-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE CC(C)(C)c1cc(Br)c(OCCCC(=O)Nc2ccc(SC#N)cc2)c(Br)c1 1865938054 ISMWUKFBOLLLAZ-UHFFFAOYSA-N 526.294 6.880 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866617511 VQCOPLHUBFZWCB-SANMLTNESA-N 512.660 5.721 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866741455 MZVHZYRQWWTBSS-IOWSJCHKSA-N 571.743 6.804 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868231764 REPHOCYUFOINQH-MUUNZHRXSA-N 505.691 7.653 50 10 KKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544470 GOWBVAOCMOWDHL-OAQYLSRUSA-N 533.745 8.705 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872747815 UXQWQVZBZKLZCM-JRXCRPKVSA-N 521.598 5.909 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 1872753827 ORNZJABNGHKPIB-DWCUFGPVSA-N 515.635 6.364 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1C 1872780484 AKECTITXJHLKLO-LPYMAVHISA-N 503.023 7.432 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872792384 VVXBJRSQGDRSDP-LGUFXXKBSA-N 500.667 8.904 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c1C 1872792820 SITFBDCAKGVAQF-WPWMEQJKSA-N 500.667 8.840 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1sccc1I 1899859054 YDKXINXDRWQUPT-KRWDZBQOSA-N 519.629 7.022 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915076161 NPJFIDOBQRWDCO-CQSZACIVSA-N 504.060 6.028 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915131826 AQWKYEIJCFQQBA-LBPRGKRZSA-N 510.089 6.089 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CCCCCC2)c1Br 1924583306 IJUCTTMWRIXVLY-VIFPVBQESA-N 509.927 7.442 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@H]32)c1Br 1924616803 SYRBLAXLRFMFQY-OKJYPTKPSA-N 521.938 7.298 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012745 JNQCVHANFYXNMP-HWBJYJNGSA-N 630.590 10.101 50 10 KKGE Clc1cc(I)c(Oc2cccc(CBr)n2)c(I)c1 2061202062 XJQSQHHADQIJAC-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE [CH]1C=C(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)C=C[CH-]1 2080178720 BTPBVAPHKDTVSB-UHFFFAOYSA-N 622.688 9.713 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2coc(Br)c2)c1Br 2081081646 HXBOWGAHXZTORW-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE CO[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471168 OTIXOGCYIJHKSN-FRSIUCEKSA-N 540.315 6.832 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)cc(Br)c2)c1Br 2201082133 NCZBRXMORWXGGR-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1I 2256337820 WTHYPAIVEYXYPL-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2285945647 JQLKEVBYTBDLLX-CYBMUJFWSA-N 509.797 7.281 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc(O)c2ccccc2n1 2296721722 GHDWISPSNBPVGF-UHFFFAOYSA-N 548.628 5.037 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1 2313567178 CQJWPAJNOCDYMJ-UHFFFAOYSA-N 570.281 7.043 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1C#N 2313568784 XCYFIFOQLFOTAX-UHFFFAOYSA-N 516.395 6.153 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313570989 KVVFFQKLIQPCFZ-UHFFFAOYSA-N 615.138 8.586 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313631503 RCNUDLYOLIRMIF-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314486188 BGSNBUPFANGKAL-UHFFFAOYSA-N 579.081 7.644 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592251 OYYPIRBBPLBJEN-XMMPIXPASA-N 504.011 5.722 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593366 LYWXLHRKKPHYAK-AFMDSPMNSA-N 584.063 7.279 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593862 VCKZORUJWHRCID-NIYFSFCBSA-N 550.511 6.914 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618744 SRKONVPDPFDKGP-HSZRJFAPSA-N 528.612 6.291 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314618954 XIRAKLCBZWTOTI-UHFFFAOYSA-N 627.704 7.459 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314621001 YITPYOAKEIOXSF-UHFFFAOYSA-N 559.022 5.137 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C1 2321721522 YFYOJSGEFHPZRS-SFHVURJKSA-N 506.430 5.670 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 2331353935 ORNZJABNGHKPIB-VWLOTQADSA-N 515.635 6.364 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(OC)c1 2331385548 NQVCCDKXUVAPPZ-UHFFFAOYSA-N 500.420 6.815 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1Cl 2331397594 PZHRAPUIENHZAJ-UHFFFAOYSA-N 506.625 8.036 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 2331400612 BFUKLDZMGMFELE-UHFFFAOYSA-N 504.980 5.666 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2340799118 RCVKXDRYMPSGSX-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE Clc1cccc([C@@H](CBr)Cc2ccc(I)c(Br)c2)c1 2349839953 BJSURNXWDQINPW-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2ccccc2I)c1Br 2362246905 FACMVMWIHZSILA-MRVPVSSYSA-N 597.285 7.287 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2OCc1cc(I)ccc1Br 2367601675 LSCOGTBFKPOFLB-GCUJQHFUSA-N 514.039 5.913 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 6060199 YGYKXKPERWGWPG-QINSGFPZSA-N 500.030 5.697 50 10 KKGE C/C(N)=C(/C#N)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C(F)(F)F)CCCCC3 12546284 QPVVYENEVDJSIY-FYWRMAATSA-N 518.586 5.152 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14649802 NORTVGJBCVEZGU-UHFFFAOYSA-N 518.235 5.555 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 33378977 RFRPBTCKRWRMPY-MOHJPFBDSA-N 510.569 5.317 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCc1ccco1 35446076 PVECCMMYDUOWMN-JLPGSUDCSA-N 518.548 6.074 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655360 ZONWXRIBQNRBBS-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660849 XIXRUVZAONSSMH-MHZLTWQESA-N 505.486 5.824 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686723 AWKLKZYDZMIHLZ-SANMLTNESA-N 514.990 6.418 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 39858849 BTGSBSRWYRSGHY-PTNGSMBKSA-N 509.324 5.787 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812253 RNGJMDMMNLYXPH-YZSQISJMSA-N 502.310 5.493 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813466 CDVKSTCEGWVBQM-WPWMEQJKSA-N 501.326 5.526 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100083271 IIAPPGBGSSSEOB-UHFFFAOYSA-N 524.893 5.564 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100181114 CVYIGNYWSMPBIB-UHFFFAOYSA-N 570.322 5.774 50 10 KKGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100183957 QIVXVVHQOYXKEK-UHFFFAOYSA-N 552.469 5.863 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 100237880 NASADKZARCPNTQ-WRIMGEDOSA-N 588.442 5.241 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(C(F)(F)F)c1 100477821 KHKBTYXQYBTWQP-JEPNHJGPSA-N 554.528 7.502 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1 101013553 LYLMZUDPEQOCAL-USHMODERSA-N 560.701 5.217 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2=O)cc1 101340129 DMDJIUMXQPJHCE-VUTHCHCSSA-N 544.611 5.391 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1 101377014 GRPBHYGAEPDBCG-ZJUCSZFWSA-N 536.672 7.390 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381317 VUNSUPQWZSHNTO-HKBQPEDESA-N 621.904 7.737 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385530 AYVHXTRYVYIMRX-PMERELPUSA-N 553.014 6.673 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389442 QDBMOEQIBVGREI-PMQXFMBFSA-N 592.623 6.649 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399819 UNNHHIGCHGESDJ-MGBGTMOVSA-N 621.089 8.118 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612106 LJTQJYDXRKEGGV-OCSSWDANSA-N 555.245 6.690 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 102664404 LSERKMGXMCAIGA-AQTBWJFISA-N 537.424 7.704 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(Br)cc3)nc12 102851178 GVGJUCWBFXYYCU-MOSHPQCFSA-N 556.825 5.550 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103795850 WQOXOTGWRXZGNH-FJEPWZHXSA-N 618.400 6.975 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103878259 DUKWXJZMKKWRRS-LSFURLLWSA-N 545.025 5.883 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)C1 110559485 YOBOVAWPFVWLGS-DMUURETOSA-N 562.699 5.911 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150477549 OQCCGFAAWYLMQM-FQEVSTJZSA-N 628.723 7.945 50 10 KKGE O=C(/C=C\c1ccccc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)cc1 150646557 ZKXMHSPYCHILJH-ZCJKAFFOSA-N 626.854 7.539 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 164636311 YQSGVECPKRPLAU-ODNPBWNPSA-N 771.824 8.658 50 10 KKGE Clc1cccc(C[C@H](Br)c2cc(Br)ccc2I)c1 236065930 CTHIBNAKPCHOGR-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(OC)c1OC 254764362 TUZVDKWVUZLADN-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 254841924 YDUJTLYKBJIENN-CDSSAHBBSA-N 590.680 5.682 50 10 KKGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1C#N 263628789 DYCXOVPSRJARFT-UHFFFAOYSA-N 523.662 5.725 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Cl)c(Br)s2)c1I 300472759 RJJMZMORJFNTJY-JTQLQIEISA-N 506.428 6.561 50 10 KKGE Cc1cc(C)c(C)c([C@@H](Br)c2ccc(I)c(Br)c2)c1C 721571125 CROULCJDHORJID-KRWDZBQOSA-N 508.035 6.772 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1 725394530 YIKPCSZIKUNUEF-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN(C(=O)OCc1ccccc1)c1ccc(N2C[C@H](CO)OC2=O)cc1F 888085690 DLJLXKFAMBVGIE-OAQYLSRUSA-N 518.658 5.308 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccc(OC)c(OC)c2)c1 1083925413 OHPMITSETRTSLH-UHFFFAOYSA-N 519.432 5.196 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1084042913 QVWBIMYBZABQPO-VWLOTQADSA-N 636.914 6.285 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084062390 UVBJTFFWZCDVOO-UHFFFAOYSA-N 542.433 6.000 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084259721 KKIIWNZWYACVGX-KDURUIRLSA-N 675.661 5.616 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1Cl 1084285981 UQVMWBBUESJQEE-UHFFFAOYSA-N 539.123 6.966 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1 1084442073 YANQSHIXYVTHBN-UHFFFAOYSA-N 622.143 6.062 50 10 KKGE COc1cc(OC)cc(C(=O)NN=Cc2ccc(OC)c(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2)c1 1084498509 NIBULQXLCACXFC-UHFFFAOYSA-N 592.690 7.322 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748824 UMHORVQJCOJQNQ-UHFFFAOYSA-N 509.562 5.275 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](SC)O[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCC 1776009070 HPMBDJNVAAGAKM-MYCMJRFYSA-N 901.821 12.454 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@H]2OC 1848433410 YGXDKYAIMAMUAT-KLCPPIBCSA-N 920.311 7.460 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC)[C@H](OC)[C@@H]1OC(C)=O 1848438049 RRWCFRRJDLLSIP-UJPMWDSZSA-N 628.747 5.082 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccccc3Cl)cc2)cc1 1865692080 AIUUTVMYPGSUHQ-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1 1865693651 XPXKTTNKRGRDRP-QHCPKHFHSA-N 507.432 5.984 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865695661 FVNAFYMXRPOGBV-MUUNZHRXSA-N 500.643 6.043 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701584 YVPUPARCTFMVHT-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703134 NTLUUHCPHHKJAS-AREMUKBSSA-N 531.443 6.598 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866635819 YHNXDGMXIAZDTN-OAQYLSRUSA-N 577.713 5.017 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H]1C 1868433828 RQCVTZOHHXKMCI-BGYRXZFFSA-N 523.106 6.049 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)CCN4CCCC4)CC3)n2)cc1 1868545514 YOCVEUYBMBGYKC-UHFFFAOYSA-N 569.779 5.892 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872756790 AYWTZGSCDLNXTM-HBBKMXGMSA-N 507.999 5.894 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758050 JCICALIAPDSANF-ODUIBEPXSA-N 514.390 5.749 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C 1872758267 SURBYBAAURYHAB-UZYVYHOESA-N 518.551 5.213 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1 1872791766 SQDUXXMJTUGYPW-YBFXNURJSA-N 523.441 7.777 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1sc(Br)cc1Br 1922882683 BBCJYFXZARGMPQ-JTQLQIEISA-N 571.297 6.968 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCOc2ccccc21 1924601753 ZLPNHYMRZDGBJJ-PRHODGIISA-N 501.465 6.882 50 10 KKGE FC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782119 GIORKFCLXRTUSC-ZDEZVYLVSA-N 558.703 6.778 50 10 KKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 2042453347 DQZGMMLYFIILBT-UHFFFAOYSA-N 550.644 6.005 50 10 KKGE CC1(C)OCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2066882472 BWLWSYIOZALITH-POYBYMJQSA-N 525.926 6.677 50 10 KKGE Cl[C@@H](c1occc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085493145 YETYWELTTRVZLN-SNVBAGLBSA-N 587.125 7.420 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1ccc(Br)cc1I 2086139043 JXLKNSAIWIDTQQ-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE CC[C@@H]1OCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477504 RCOQNQISBQWJTN-BKQHNDPQSA-N 540.315 6.832 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(F)c(Br)c2F)ccc1I 2142120372 SIVLIBMJHWMTBL-GFCCVEGCSA-N 501.934 6.125 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1Br 2148685760 QKVQMXZVSKSUIN-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE Cc1cc2nc([C@@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Br 2158588050 HVEDHWLQXFJBCH-OAQYLSRUSA-N 538.917 6.878 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(I)ccc2F)c(C)c1Br 2169668160 MXWNSRVDVLCTMO-MRXNPFEDSA-N 511.998 6.602 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Cl)cc1Br 2202353428 RPCQDKIPMPNWCW-CQSZACIVSA-N 503.843 7.011 50 10 KKGE Fc1c(Cl)cccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399528 IUBSGZFIZSKWMN-SNVBAGLBSA-N 615.154 8.013 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206410352 XHOVAGKBWXFWTR-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1I 2218800036 IHPUCIZTSPQPTB-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2224307044 JZSISLKXPBVNPA-MRVPVSSYSA-N 559.254 6.232 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2226587025 VXGLMPUSQWNXME-SSDOTTSWSA-N 515.826 7.342 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2229149080 VUXWTMFLZBFTHR-SSDOTTSWSA-N 572.769 8.021 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(I)sn1 2263455015 SUCNOTQNFUWKMB-SNVBAGLBSA-N 523.415 5.657 50 10 KKGE Clc1ccc(I)cc1Oc1c(CBr)ccc(Br)c1Cl 2272638788 IYXRLBHSXIRCLX-UHFFFAOYSA-N 536.816 7.048 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2c(Br)cccc2Br)c1 2277963662 WXRRBKZVXNUDJZ-ZDUSSCGKSA-N 576.746 7.415 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(F)c1I 2279037070 URXCEZYRDVHHDI-GFCCVEGCSA-N 534.388 6.339 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2293198368 AACIZYHJMFCCMW-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1OC 2296507001 ORVDYRLORALHRF-SANMLTNESA-N 592.515 5.251 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(=Nc2ccc(C)cc2Br)nc(N2CCOCC2)[nH]1 2296648371 HTNJQTIZKMOQMH-UHFFFAOYSA-N 639.514 5.686 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2301795379 FJDHRPFOAOSHMB-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314619624 CNMMBGSHUVTSEB-UHFFFAOYSA-N 552.631 5.182 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 2314753192 JJEWNFKCTPIAEK-SFHVURJKSA-N 508.958 5.236 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1OCCC 2331293714 TVZOWSOXTUAXIX-UHFFFAOYSA-N 516.623 6.050 50 10 KKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(Cl)cc1 12491517 LQZYQHCOVTXOFJ-WYMPLXKRSA-N 510.613 5.937 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCCCCCCC)cc2O)cc1 33353799 SUPUUJLVBXSCHR-UHFFFAOYSA-N 540.745 7.726 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38685432 QMVQOWDLTQKWII-GDLZYMKVSA-N 512.606 6.480 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 38701427 LAGLRSVPPWSZOP-MUUNZHRXSA-N 522.557 5.799 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 40881663 DPRSNGVXZAYPPB-PCLIKHOPSA-N 522.557 5.471 50 10 KKGE COc1c(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)ccc2ccccc12 59153097 YTNAAXSLJZIXLB-RIHQVDFKSA-N 511.581 6.119 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 100083317 RAKTUTXCYRSBDW-UHFFFAOYSA-N 567.509 5.257 50 10 KKGE N#C/C(=C/c1ccccc1Oc1ccc(Cl)cc1Cl)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 100394517 JEJHKOOWVBOCRT-AQTBWJFISA-N 546.435 7.145 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C)[C@@H]2Br 100922801 DURBFBTURBNBLM-CDMYFEKCSA-N 566.378 6.743 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245339 AFOKHCAZVICCGF-KVILUOORSA-N 570.036 7.349 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101372192 JSRIVIJWGJHEGY-PMERELPUSA-N 573.602 5.765 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101373540 XAONHEQIUNRMAB-AREMUKBSSA-N 549.421 6.074 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 101373960 AEAUOJDOISUBNL-GDLZYMKVSA-N 549.023 6.120 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 101375283 CFKWNODRHWSLML-LJAQVGFWSA-N 547.051 7.135 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380299 OORJBSNUKPMHHJ-MAEVIZKRSA-N 548.570 6.250 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380882 ROSBJKAIMOBCMG-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383209 DXZUWIBOVTUCMS-PXEIPDDRSA-N 569.444 7.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(C)cc1 101387702 KEQDCUOKFPSKQN-UUWRZZSWSA-N 592.648 6.184 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101393274 JZQMEJLWSWHTPT-PMERELPUSA-N 552.627 7.065 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101397246 ACQXUSUWWZTKRZ-PMERELPUSA-N 615.524 8.290 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 101697891 GRIAXSHBWWYTGK-UBXJNSBZSA-N 561.034 5.988 50 10 KKGE Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 101727454 AQBCOWGLYUHONU-VFLNYLIXSA-N 586.964 7.356 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OCc1ccccc1C 102935050 DPMWMSGWVXXSQU-MTJSOVHGSA-N 597.409 6.340 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 103742231 DPYKVXWSRZPSMD-IQQNDYETSA-N 563.293 7.365 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(F)cc2)cc1 103742622 LXBVYRNRXSFYBD-CTHAODRQSA-N 526.420 6.506 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1 103755109 PBAFKOMULOZMMP-LPYMAVHISA-N 552.412 6.431 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 103755434 ZAXSGKUGVZAKBK-PTNGSMBKSA-N 539.997 6.559 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1 103872715 BXCYAMRMKUOJKS-XIEYBQDHSA-N 578.738 7.540 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1csc(I)c1 124404540 DECLUFRATPPUOK-NSHDSACASA-N 522.427 6.262 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1 150430258 AHJOYMIVKKHDSO-MIIVUHEXSA-N 709.322 5.709 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150462700 SVAAFWSJTPWOMF-BEMJDZQPSA-N 632.742 5.635 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2I)c1 150613944 CGFIODFCQIEPAG-IUXPMGMMSA-N 699.670 6.891 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 161221711 UDZGVDCBZNRNEM-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 164724200 FBYLNQHSYAGBHZ-QRVIBDJDSA-N 670.288 7.482 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)cc1 198743123 DRTMASNAUHHPQR-UXHLAJHPSA-N 548.020 5.432 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214326106 BNLGQGWPBNYKHP-GKZBKZLQSA-N 538.673 5.813 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214334091 LTQZBIUEOGDXAI-SEMTXUPKSA-N 556.666 6.928 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)s1 235812253 RTCBEBDSHDSVQN-NSHDSACASA-N 550.879 6.670 50 10 KKGE Fc1cccc(C[C@H](Br)c2cc(I)ccc2Br)c1F 236217447 VRRIRYOFIWYUJB-LBPRGKRZSA-N 501.934 6.011 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 236230773 UETRVYBDOUFVOX-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 252588694 ADTNEUBHQYLKCA-UHFFFAOYSA-N 505.603 5.969 50 10 KKGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1C#N 252632415 VSYXGOPJUFDVIQ-UHFFFAOYSA-N 634.534 6.824 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)[nH]1 253571220 ORQDFLKIFUPZBC-YIMFCOJYSA-N 646.866 5.645 50 10 KKGE N#Cc1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)sc2c1CCCC2 254416484 IDSJIOWDAJMBGQ-UHFFFAOYSA-N 592.633 5.026 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 254485315 PUXDOITVZPWTKZ-UHFFFAOYSA-N 573.671 5.394 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)nc3ccccc3c2=O)cc1 254625270 RJSHGXIGNJXVOL-UHFFFAOYSA-N 580.666 5.224 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 263629154 YSEYGTQRCRMCHV-IBGZPJMESA-N 534.248 6.071 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2sccc2I)c1Br 311228645 QKNZKAIMLGAOBB-SSDOTTSWSA-N 531.982 6.680 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@H](Br)C23CCCCC3)c(I)c1 380605514 OEQVMZSDUFFNFG-STQMWFEESA-N 581.457 6.414 50 10 KKGE C=C(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C#CC(C)(C)OOC(C)(C)CC)OC(=O)C(=C)C 504693393 XSWFWWRZCMSVDA-YLKKIBEASA-N 576.774 7.801 50 10 KKGE biogenic Fc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c(F)c1F 721604495 PYJJARSOCGONHL-JTQLQIEISA-N 523.887 6.094 50 10 KKGE CC(C)(C)c1cccc(N(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(OCCCN3CCN(c4ccc([N+](=O)[O-])c5nonc45)CC3)cc2)c1 725238882 RVTPLLXFSJOCSN-DIPNUNPCSA-N 746.309 6.782 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1OC 725413148 JYAQTEHHTQPCNH-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(N=C=O)C[C@H]4[C@]3(C)CC[C@]12C 888105656 OSXLOEVWLRIELK-ANCVDJAISA-N 533.709 7.087 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1F 1083895611 YVIDJWHSBIAUAC-UHFFFAOYSA-N 590.243 6.839 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1F 1083920272 CYWFUXVKCJKOQT-UHFFFAOYSA-N 553.059 5.617 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084176609 KWPJJEJRAUVAJX-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccccc1F 1084202931 NTZAVVLOSBIMPM-UHFFFAOYSA-N 615.321 5.932 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1084221702 YIGPSRSNDIAGLC-DEOSSOPVSA-N 546.407 5.843 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC 1084274039 XZVQCGFOTJDTJA-UHFFFAOYSA-N 593.465 6.619 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1 1084308053 HDRSIRTXZGLCQC-UHFFFAOYSA-N 675.954 8.062 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1084375896 MLGBIKKITUZECU-YYADALCUSA-N 563.683 6.409 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084393515 DQQZBDOSDUJNRX-GOSISDBHSA-N 522.468 5.181 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084542730 HAUMNRLLJHQLTK-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 1084613170 ULRKVBZFPBUFNP-XMMPIXPASA-N 536.426 5.262 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1 1084617427 MUHLUWOJVVCHHJ-JJIBRWJFSA-N 502.014 5.573 50 10 KKGE C/C(=N\NC(=O)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525933 IPBAMSANICPAIX-QCVBUOFKSA-N 783.929 7.509 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)ccc1Cl 1772745551 DWCKNXQDBRNLSS-UHFFFAOYSA-N 505.785 6.546 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747399 BGVFLYSRTIONMA-UHFFFAOYSA-N 528.608 6.949 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748347 WKNBJKFDAQTTDP-FQEVSTJZSA-N 503.602 6.317 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772749204 RJCLYXFBHXCGHX-UHFFFAOYSA-N 503.558 5.745 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682035 DNDXVSKWYQUJGU-SSEXGKCCSA-N 520.592 7.072 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)c1 1865685641 LHZCKMDGVSOPAI-QHCPKHFHSA-N 501.417 6.740 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686545 XCGPRNAEWFHGFA-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686761 ZVKLSVMTQZMFOK-QHCPKHFHSA-N 503.389 6.381 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865691592 VZLBTDOXNSKXQU-AREMUKBSSA-N 504.606 5.819 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692263 KRNVEBYHNLGNAB-DEOSSOPVSA-N 544.995 5.445 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696078 XFKKPQDIHJWURD-NDEPHWFRSA-N 575.496 7.246 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702772 FBSNHUPUMXUXHT-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865703934 IZHZZQAMFWZZLA-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707508 YEKTUOQWXXOGPH-GDLZYMKVSA-N 521.640 6.268 50 10 KKGE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866839764 FOZSOXRVHPVNHO-DFBJGRDBSA-N 507.656 5.634 50 10 KKGE CC[C@@](C)(NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931208 AZJSHEQNLVKNIC-SSEXGKCCSA-N 524.646 6.037 50 10 KKGE Cc1ccccc1CCCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867120484 KVFGSNVULILGRD-AREMUKBSSA-N 503.693 5.948 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)[C@@H](c2ccccc2)c2ccccc21 1868433729 QGROJSNMTCYTGD-YTTGMZPUSA-N 574.153 9.001 50 10 KKGE CC(C)(C)c1ccc2c(c1)C(=O)CCN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868566134 UUZCRBOQIAATDU-UHFFFAOYSA-N 506.635 6.877 50 10 KKGE CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(OCc3ccc(CCl)cc3)ccc2c1=O 1871436516 BYDACEZKHZPQDN-UHFFFAOYSA-N 504.888 7.321 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(C)c1C 1872754006 YDLVSKVDOOGZNT-RWEWTDSWSA-N 513.619 6.314 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1OC 1872754503 WBGJVFRDLSQEDI-XMVZJSJNSA-N 519.406 6.657 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cc(I)ccc1Cl 1905039612 FRGWXBXORHWDMS-LJQANCHMSA-N 506.653 6.366 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915079053 XTGMQRMLUGOSBQ-ZDUSSCGKSA-N 530.109 6.120 50 10 KKGE CC1(C)[C@@H]2CC([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]21 1924571773 UGKYDSCAWIDKCT-BHNWBGBOSA-N 521.938 7.154 50 10 KKGE Cl[C@@H](c1sccc1I)c1c(Br)sc(Br)c1Br 1924579836 KSOIQRBBVJFDMO-ZCFIWIBFSA-N 577.326 7.030 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2025779184 DKRIHFBPUJZYMZ-XOGFGSHOSA-N 575.158 7.190 50 10 KKGE CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC 2053466590 OCNZHGHKKQOQCZ-UHFFFAOYSA-N 546.921 12.131 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCC[C@H]1C2 2085491976 DGTNYXHSSQFYKP-HZZNHICKSA-N 522.300 7.207 50 10 KKGE C[C@@H]1C[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085495227 IYQFBCPSPPERQZ-YZGOCOMISA-N 526.288 6.442 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3sncc3c2)c1Br 2120655002 BOSAKFDOXXNRMA-VIFPVBQESA-N 546.929 7.130 50 10 KKGE ClCc1ccnc(Oc2c(I)cc(Cl)cc2I)c1Cl 2120724456 QGKRLWRWOJYEJC-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2141469290 ULIBCUHQNJFEFP-BMYQGPEFSA-N 580.778 7.609 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2C[C@@H]2C2CC2)c1Br 2141471514 SHKOASWMEIFOLN-IWSPIJDZSA-N 580.778 7.609 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2141658689 CIFWKJMMXKPVJH-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2Br)c1C 2218793111 ZHIFHJMUDOIYQA-LLVKDONJSA-N 517.906 7.137 50 10 KKGE COc1sc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2256337908 XRKPCJAHESBHQC-NSHDSACASA-N 522.427 6.262 50 10 KKGE Cn1ncc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2263528065 YHBNHBXHYCFVLX-LLVKDONJSA-N 501.842 5.386 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(C)c1C 2284598528 NYMHIZCVIMWMJM-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccccc2)cc1 2293601525 HWBLGPRZXUGPQN-UHFFFAOYSA-N 504.015 5.417 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)cc1 2295113322 YHUZUICTYOJELO-UHFFFAOYSA-N 715.203 6.361 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(Br)c3)c2)cc1 2295523589 ZSZYCRSYYKHSJN-UHFFFAOYSA-N 611.496 5.656 50 10 KKGE COc1cccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2ccc(C)cc2)c1 2297486424 LFEGEOXDHKJIEY-UHFFFAOYSA-N 530.694 5.398 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnsc2Br)cc1Br 2300301402 XIXDIONQUJELRJ-JTQLQIEISA-N 504.867 6.223 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1 2313564857 BXCYAMRMKUOJKS-UHFFFAOYSA-N 578.738 7.540 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313568365 RLALSRFSLDCDSR-UHFFFAOYSA-N 511.157 5.307 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313570902 IUMWHHUIJPAVJY-UHFFFAOYSA-N 556.660 8.087 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631353 OMPBEMAYDOHQAY-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 2314640795 ZWYVBIJAIWKCPL-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 2314785874 VPCMAINMCYVOKS-UHFFFAOYSA-N 520.626 5.571 50 10 KKGE CCC[C@H](NC(=O)C=C(CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 2321347533 FRELFKILXFRTBR-NRFANRHFSA-N 516.461 5.748 50 10 KKGE BrCc1ccc(C(=C(c2ccccc2)c2ccc(CBr)cc2)c2ccccc2)cc1 2333120646 GHZTXESUSOBGAM-UHFFFAOYSA-N 518.292 8.484 50 10 KKGE Clc1c(Br)ccc(CBr)c1Oc1cc(Br)cc(Br)c1 2338756943 FGJAOSYKHYDSNG-UHFFFAOYSA-N 534.267 7.315 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1I 2339648025 HDCPQOPZRCGKLZ-GFCCVEGCSA-N 562.840 6.748 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(I)ccc2Br)c1Br 2362220252 HPAQEPYONQUMQV-LLVKDONJSA-N 662.154 7.856 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(I)c1 2365598254 PPVDBOYIWGQHGS-CQSZACIVSA-N 528.409 6.126 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Br)cc2I)c1 2366893883 ALKLCULWIPJWJQ-AWEZNQCLSA-N 548.871 7.429 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 29491649 GGDFEHSRCOBIEB-XHPQRKPJSA-N 565.699 5.814 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650871 XDNAIEKWMKABPY-URAOTHONSA-N 526.633 6.580 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678886 ZTACGBHCJOABHI-VWLOTQADSA-N 505.368 5.214 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 38681099 KWYVGLUMJWPWOE-GDLZYMKVSA-N 526.589 5.732 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 38683907 IXNZWAARDBAVOJ-SSEXGKCCSA-N 520.585 6.465 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 38686427 HLZRHUXKKLPLMX-PMERELPUSA-N 506.533 5.771 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)c1 38701165 VPXFQCNYRJAZDS-MHZLTWQESA-N 518.997 6.355 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 40816356 IZIVCXPCTFUBSK-VUTHCHCSSA-N 500.382 5.691 50 10 KKGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Br)c1 100086941 DEPIKMGEMJWQMS-UHFFFAOYSA-N 611.562 5.276 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100173385 QLCIZFCPUPNUAX-UHFFFAOYSA-N 621.779 5.539 50 10 KKGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1OCc1ccccc1 100207573 WZJIOJZFFIGUFU-UHFFFAOYSA-N 604.526 5.599 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 100236208 RBDYEYJLOPQANU-YFKXRKALSA-N 556.413 5.299 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)COc1ccc(Cl)cc1Cl 101135418 GGZJQTKBVUZYDU-UHFFFAOYSA-N 565.432 6.378 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1C 101304850 JKSXDTJSYPXFQL-WATSXHCISA-N 506.606 5.803 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101332244 MROXIXSBZCZENM-JVWAILMASA-N 518.548 5.479 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1OC 101339347 QKYFSCCPYKBNAU-WGOQTCKBSA-N 526.564 5.257 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368637 VZWHYQYQGJNQGH-HHHXNRCGSA-N 530.577 5.329 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccccc1Br 101370167 KIORJAQBDMSOHU-OAQYLSRUSA-N 526.184 5.649 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 101374456 FQZOBWSIKJRCKE-NDEPHWFRSA-N 533.024 6.745 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCCC(C)C 101374959 GSSITSLETLKBCJ-HIYSLSNDSA-N 559.062 7.001 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379838 JCYGCUCPFOQIFQ-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101385218 HSFBAKDBYBEBIV-MGBGTMOVSA-N 562.622 6.094 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 101387423 FESRHZJPQBSLMN-PMERELPUSA-N 603.458 7.027 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389751 HCMLVRMYYHTQBE-PMERELPUSA-N 587.459 7.408 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101393127 XUGGGUZKDHRGFX-GDLZYMKVSA-N 538.600 6.675 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101394676 MSRZSSDMHRUBEB-XMMPIXPASA-N 525.388 6.228 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613471 MSSJIWYBSUAWOW-IWBSIUBASA-N 532.427 7.285 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC 101727358 ZCUAVXWQFTWJSO-NUGSKGIGSA-N 526.865 5.486 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1I 102933362 ALQNNHKDOSWGFP-BOPFTXTBSA-N 549.195 6.723 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OC(C)=O 103876708 UDMCLUPNLKPCIO-OCSSWDANSA-N 546.421 5.913 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 103877683 BJKJZIAYTGWOJC-WKULSOCRSA-N 523.814 6.920 50 10 KKGE COc1cc(Br)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)c(Br)c1 150435067 UXTISCZZLCNLLU-ATZGPIRCSA-N 682.321 6.188 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 150463140 HPPRKEUOBXTTES-WJOKGBTCSA-N 631.512 7.726 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1 164631387 BMEAHOXWTGKWTC-SEBMTOOBSA-N 669.563 8.107 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 164633006 NZGGKJLVUXZJDJ-VYVUJPJFSA-N 631.535 8.261 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 205668672 PRGIPHMHSYPLJN-NFKHRJGQSA-N 562.597 6.559 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205775203 UPTDRGDTWOHIPA-GQCRFCPSSA-N 646.769 5.881 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212164960 IBFCAXRMRXYSQK-QZKUXGNVSA-N 683.223 12.486 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214262379 QGKIGFYYEOGTJL-QNPXHDCPSA-N 597.741 5.351 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214334034 HQRPMTQXWFTHAG-QAVZPZIDSA-N 556.666 6.990 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214341227 ISYUFTJBGZKRDN-QFQBXLQXSA-N 556.666 6.988 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214407283 DMXJMYGRUXYEFO-LQNQUEJISA-N 574.656 6.814 50 10 KKGE Cc1cccc(C)c1OC(=O)[C@@H](C)[C@@H](O)[C@]1(CO[Si](C)(C)C(C)(C)C)[C@@H](C(C)C)OCN1Cc1ccccc1 248176162 VVDXXAUDVUNJDX-ZIQYKXBHSA-N 555.832 6.481 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccccc2)cc1OC 254521733 LWKAFFUELDNUJQ-UHFFFAOYSA-N 523.618 5.347 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254619230 LSUKVHCPMWPQAQ-UHFFFAOYSA-N 513.667 5.791 50 10 KKGE COc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(F)c1 254622578 DMMUMYSOJWSPPC-VQMWRAPCSA-N 580.616 5.041 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2OCC)cc1 254756818 IRECNHADSYGSFP-UHFFFAOYSA-N 532.637 6.054 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccc(OC)cc2)cc1 254824407 DCDOHYTYBYQAEC-UHFFFAOYSA-N 523.618 5.347 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Br)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@]12C 254851293 KFRQNXHOVDCRIV-SJTHWQIKSA-N 530.473 9.245 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1 254869554 KWDCEXLAZZIETB-UHFFFAOYSA-N 529.116 5.529 50 10 KKGE aggregator C/C(=C/c1csc(C)n1)[C@@H](O)C/C=C(\C)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 306146450 IDHLZOWJDYQQSB-ZZNIWSBQSA-N 738.237 10.845 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)cc1Br 386210696 MTLLPHMUJNANDV-LLVKDONJSA-N 504.391 5.186 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2sccc2I)cc1OC 388599355 NVRDEFXFGWRZGY-GFCCVEGCSA-N 518.008 5.617 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Cl)ccc1I 405305847 QFNMGUMDFQCUKC-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616576158 FCXQCHWLXSOOJO-KWMCUTETSA-N 529.033 5.328 50 10 KKGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2)CC1 725440500 IUIOAGPMIXCZLE-UHFFFAOYSA-N 590.555 6.496 50 10 KKGE CC(C)(C)[Si](C)(C)Nc1nc(Cl)c2c(CO)cn([C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1 1082200284 CFRVSHCYKCFJDI-YTFSRNRJSA-N 657.521 8.694 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OCC 1083991819 QNKAWOVAXQPOGR-UHFFFAOYSA-N 544.073 5.182 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084113922 LLJWMKCQGDEQRZ-QFIPXVFZSA-N 536.253 6.299 50 10 KKGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1ccccc1Cl 1084116769 TWVGRAGQROVJCS-UHFFFAOYSA-N 553.324 5.119 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1 1084161429 AMDRFFKCPGVLRR-UHFFFAOYSA-N 513.981 5.944 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(Cl)cc3Cl)cc2)c2ccc(C)cc2)cc1Br 1084178993 PJTSUCKEGANTEW-UHFFFAOYSA-N 661.405 7.232 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)c(Br)c1 1084210743 YJQGKFHZYQIJOO-QFIPXVFZSA-N 501.808 5.645 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2F)c(I)c1)c1cccs1 1084263199 KQUHBCKEIKLFPB-UHFFFAOYSA-N 606.198 5.439 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084477835 HVGGKLCLUQKASF-RQZCQDPDSA-N 576.230 6.587 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084576288 VZCPMLLFHMMQPP-CXUHLZMHSA-N 624.218 6.639 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(F)cc1 1084614641 YCMSCBDXKLQYJV-PXLXIMEGSA-N 597.428 5.274 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084638334 NGBBVTRCJJVASG-UHFFFAOYSA-N 629.360 5.568 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749578 WHSYBYSJVUYPCK-UHFFFAOYSA-N 581.716 7.419 50 10 KKGE COC(=O)[C@@H]1C[C@@H](C)[C@H](C)[C@@H]2[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857741814 IAQGGZUSUWICMM-XTGDMYAASA-N 505.699 6.091 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865685018 CIHOQHPASVGHRF-AWEZNQCLSA-N 520.125 6.723 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686648 YJPFPEZGOGZBCB-JOCHJYFZSA-N 525.798 6.916 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688255 NXJPSAWIPIOYRK-NDEPHWFRSA-N 532.575 6.126 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692759 PDEBFVWMVNQGLE-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701196 OTLISAVINWHIHH-IBGZPJMESA-N 562.237 5.472 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701501 WYKDGHNXRQPSTL-NDEPHWFRSA-N 559.041 6.482 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 1865704668 BJKLXSACEPWCHE-GDLZYMKVSA-N 570.605 5.994 50 10 KKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1866131103 YDOGTDVZNHGPRV-CXUHLZMHSA-N 549.226 6.444 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983567 SKXHSHJFYORENA-IGKIAQTJSA-N 535.641 5.522 50 10 KKGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867193442 VWPSXENDMOBLCG-RUZDIDTESA-N 591.487 5.600 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)c1 1868413840 CZHIFWXDBPHVGF-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3c(OCc4ccc(F)cc4)ccc4ccccc34)nc(O)c2cc1OC 1872727465 CQWMWHDCUXSVPK-DEDYPNTBSA-N 507.521 6.288 50 10 KKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 1872728933 BPZNZXWAFDDMOF-KOEQRZSOSA-N 526.552 6.950 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@@H](Br)COCc2ccccc2)cc1Br 1916365018 RTMFGIGDBFBJKW-OAHLLOKOSA-N 570.141 5.121 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2Cc3ccccc32)c1Br 1924585494 MGZNBFGQHDCGMR-PSASIEDQSA-N 515.890 6.812 50 10 KKGE CCC(CC)([C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924607997 BWTGWECBEGUPHK-ZETCQYMHSA-N 551.886 7.840 50 10 KKGE CC1(C)C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997140831 BFXLLLHBIFASHF-VDTYLAMSSA-N 511.899 6.287 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)sc2Br)c(Br)nn1C 2014561018 YDOHZIKZARGUKC-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Cc1cc(OCc2ccc(C(=O)NNC(=O)C=Cc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3)cc2)ccc1Cl 2042445781 HJDYCGGVYRGQCI-UHFFFAOYSA-N 610.519 6.156 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2occc2Br)c1Br 2081054107 GFZHGIFGAXQJCX-LBPRGKRZSA-N 501.838 6.668 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2083334666 OJOFCVVYSCDNCZ-NSHDSACASA-N 501.842 5.500 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)sc1Br 2083341359 YNOGUFVWCSYMHA-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cl[C@H](c1sccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085495655 MGLMCWMBFHXYSF-JTQLQIEISA-N 603.193 7.889 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1scc(Br)c1Br 2139012616 GDAIQZOVCLFKBH-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE CCCOC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141467921 DXXPNSIVTXIPBS-LBPRGKRZSA-N 584.766 7.132 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1Cl 2207260746 HNEOMKMKOLPNIF-NSHDSACASA-N 556.797 7.076 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(C)c2C)cc1I 2217863074 ABETYSQSRBSXNH-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Cl)c2Cl)c(C)c1Br 2227369643 OAVYYUIHMZKHAY-NSHDSACASA-N 507.900 7.681 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2233975735 LNEPWLCBUWHLRL-ZDUSSCGKSA-N 533.830 7.045 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2237457682 JKIRKZYEVISUOZ-SNVBAGLBSA-N 550.285 7.445 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1sc(Br)cc1Br 2247989145 DLZHWJTWZYFATP-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE CCc1cc([C@H](Br)c2cc(I)ccc2F)sc1Br 2256053638 NVWUQWIOPQJRDI-GFCCVEGCSA-N 504.000 6.301 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268280899 WAYPYCVTHINEFR-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)cc1 2296506960 NABLYYONOSCHKZ-RUZDIDTESA-N 518.038 6.030 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458569 DNSRARIWDBTRQC-DEOSSOPVSA-N 533.009 5.033 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1F 2313568377 VJBKPGLAKQGFGJ-UHFFFAOYSA-N 525.624 5.788 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592321 QUMSLKHILHXOGP-DEOSSOPVSA-N 537.563 6.087 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314610807 MMKDHCMATZTFFY-QHCPKHFHSA-N 536.676 6.663 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 2314618641 QUGIPADYMDNYCC-UHFFFAOYSA-N 524.621 5.347 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634804 NHKQQIRYKNAFQB-PGUFJCEWSA-N 594.752 8.179 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 2314737464 NBJCVWZNOYIUON-UHFFFAOYSA-N 508.530 5.163 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2sc(Cl)cc2I)cc1Br 2316770589 OUPJXDVWCONTRO-JTQLQIEISA-N 544.836 7.045 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 2331260636 TWHKVUWTHPUGFR-ZDUSSCGKSA-N 508.397 5.917 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 2331358698 DRWJGMKFOFKSHD-UHFFFAOYSA-N 521.598 6.947 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c(C(C)(C)C)c1 2331406530 XAQGUNYJAUAKDG-UHFFFAOYSA-N 500.620 7.150 50 10 KKGE Cc1cccc([C@H](CI)OCc2cc(Br)cc(Br)c2)c1 2362248570 SEQKHCRVAKLPQP-INIZCTEOSA-N 510.007 6.213 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)cccc1Br 2365187905 FTCLUHMCGOMCOT-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE O=C(Nc1ccc(CBr)c(F)c1)c1cc(Br)ccc1I 2367668459 HMPAKWRBGCRJLX-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE Fc1cccc([C@@H](CI)OCc2cc(I)ccc2Cl)c1 2380353167 HZXHFVPGYWAUHN-OAHLLOKOSA-N 516.519 5.777 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38681173 LSBGJNJGHRXICL-XBBWARJSSA-N 526.589 5.413 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38682609 IXDCDBWJKIAEDT-GDLZYMKVSA-N 504.611 6.364 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1Cl 40826655 SOQRSINQMAXADL-AWSUPERCSA-N 518.013 6.564 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 100236806 JLKBTSYDQAWNHE-COXVRVBQSA-N 565.881 6.597 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 101034108 KPFHUDLDSUGLPN-NTEUORMPSA-N 559.772 7.300 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368337 YWXSEKYWQMMSQY-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101385255 MGLDWGXCNGACKL-PMERELPUSA-N 563.566 5.928 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388440 PIKCDSQDSOBZGL-JGCGQSQUSA-N 617.485 7.174 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101390622 RNFFPDBGXVBDCC-QFIPXVFZSA-N 537.424 7.044 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2cc1C 101398379 VLBHRRMDCQHTNQ-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613362 MBKADAHXKXDYIN-ROMHNNFLSA-N 550.634 5.827 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccc(Cl)cc1 101712225 LXKZXFAYQGLBGT-AMVVHIIESA-N 559.888 6.651 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)c1 102667135 MWGBEZMOGIQASQ-XYZDCVNTSA-N 522.457 6.675 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(Oc3ccc(C(C)(C)C)cc3)nc12 102848868 PHZNJKQTGHIAMO-NMWGTECJSA-N 588.668 5.436 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)ccc1OC(C)C 103549328 BQOHHDJMDKYAEO-MUFRIFMGSA-N 580.508 5.735 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 103795784 TYQJEIAFYNQLKJ-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1 105071716 XPVKAMOSVOSMQF-JVWAILMASA-N 526.374 5.572 50 10 KKGE Fc1cc2c(cc1I)nc(CCCl)n2-c1ccccc1I 116735314 BSZFVEGZAGTVIJ-UHFFFAOYSA-N 526.518 5.155 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 150425900 WVRIOZVGLXITHE-SLLOZXFSSA-N 637.312 5.995 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccc(Br)cc12 150482420 VVZSMLVNYVDWTN-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1 164723171 OEOMVXCEJAARFR-JAIQZWGSSA-N 634.255 6.637 50 10 KKGE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[Si](C)(C)C(C)(C)C 198071092 NHCAHEFPDDXPRN-FARZXMRFSA-N 526.922 9.785 50 10 KKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206509224 FOQQPZOCNYVBSM-KMSAIEFDSA-N 540.616 5.643 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)CC)c(=O)oc3c2)cc1OC 206541476 VFMNZPBWHCWEDX-QKYYUXOMSA-N 546.620 5.802 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 234798500 UOKTYPXVGAKRKN-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Fc1cc([C@H](Br)c2cc(I)ccc2Br)c(F)cc1Br 236235793 ABFKCYCQCWNQMV-CYBMUJFWSA-N 566.803 6.579 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Br)cc2F)c(I)c1 236245175 DAVNFWFNTVMBCQ-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE CC(C)(C)c1cc(CCC(=O)NN=Cc2c(OCc3ccccc3)ccc3ccccc23)cc(C(C)(C)C)c1O 252627342 RSJJVSLIFQZDDJ-UHFFFAOYSA-N 536.716 7.802 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253561012 BNZNVSHNOCKKPM-LFKNNZQMSA-N 712.661 7.592 50 10 KKGE CC(=NOCC(=O)NN=CC1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1cccs1 254453159 XGQFPGHIVNVTKU-GDLZYMKVSA-N 507.615 6.227 50 10 KKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1O 254519091 QHLMCQRYCCDVGG-UHFFFAOYSA-N 525.678 5.908 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)NN=C1C(=NNC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc21 254571541 ZOQBCBNXMMZEIH-QSCHNALKSA-N 829.011 9.173 50 10 KKGE COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(C=NNC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 254630902 MUXRLORFYPUYSK-GDLZYMKVSA-N 519.561 5.723 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1Cl 256028310 FABQWAJVEGEBQN-UHFFFAOYSA-N 539.082 6.079 50 10 KKGE CCCCC/C=C/C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C/CCCCCCCC 256109244 LIBNDJOBAGMROQ-RTBBFGNHSA-N 637.430 12.531 50 10 KKGE CCCCCCCCCCCCCCCc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)c(O)c1 575329286 QJTSAMARKTWTIU-UHFFFAOYSA-N 541.201 9.658 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)c(Cl)cc3ccccc23)cc1 604970487 AIHOZZYFUGPCLU-UHFFFAOYSA-N 713.241 11.064 50 10 KKGE Cc1cn([C@H]2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(O)nc1=NC(=O)c1ccccc1 616586315 OLLIAUORECOVHX-NAMKPHTRSA-N 659.841 6.609 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1 1083911826 OFQRXLNPQICXBF-LFVJCYFKSA-N 526.105 8.313 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1C 1083977347 CWWSTZLEVZGBQM-UHFFFAOYSA-N 549.096 5.786 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C)cc1 1084069355 GNKROIFDLFMLMA-LJAQVGFWSA-N 530.665 6.064 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084155514 DJTPEZZJASOEPZ-UHFFFAOYSA-N 572.086 6.391 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 1084213366 CXVSROOBXPOPNZ-ZHZULCJRSA-N 503.385 7.280 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084218957 MZBUMNCMNYRQBE-VWLOTQADSA-N 600.466 5.698 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)c1 1084264630 ZZHRQRVRSBKWQG-UHFFFAOYSA-N 549.096 5.786 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)S(=O)(=O)c2ccccc2)cc1 1084280962 TWGTUGKDRCAJGW-UHFFFAOYSA-N 511.647 5.407 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)cc2)cc1 1084290632 GZGHVUIRVHTKBK-UHFFFAOYSA-N 616.061 6.592 50 10 KKGE O=C(NN=Cc1cccn1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1084366017 KFXRZHLFTLRQBP-UHFFFAOYSA-N 506.609 7.366 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]1 1084527215 UUIFRWLBVQVDGI-HSZRJFAPSA-N 634.855 5.501 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084603455 HMGCIRCMUYKDQO-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653098 DKZXUIGSESDDDS-HGXIZLDZSA-N 598.090 7.786 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OCCC)cc2OCCC)c(OCCC)c1 1615951748 YVIJQMDOYNNRJT-DKKRNIPZSA-N 610.796 6.783 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747931 SWFZYUGFIQRHSX-UHFFFAOYSA-N 536.213 5.775 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689627 USBPLFYFSFBKPB-VWLOTQADSA-N 547.442 6.862 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1 1865689665 CEKHADZVKVAKBG-VWLOTQADSA-N 509.025 6.464 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865691221 MZHSLPZGPHUPIJ-VWLOTQADSA-N 537.458 6.129 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865691980 GTEDJGQZYSHWLD-RUZDIDTESA-N 565.512 6.279 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865694423 YBMLCQRPIURJKS-LJQANCHMSA-N 518.923 5.619 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865695439 CPHGFOKDDZCIMB-QHCPKHFHSA-N 561.004 6.789 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701739 DEAPRMCYCRFSMU-HXUWFJFHSA-N 501.787 5.657 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705435 VXLLPEPFNLTJOU-OAQYLSRUSA-N 536.897 5.982 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706073 MVHJVCWMCXDDGC-OAQYLSRUSA-N 514.339 5.428 50 10 KKGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866618068 PXPVDQTYNLYTON-SANMLTNESA-N 558.635 5.021 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867062711 PTFUPIAGCICMME-MHZLTWQESA-N 542.636 5.685 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867184591 ZISAJUCUXWHLFQ-NDEPHWFRSA-N 524.646 6.385 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 1868301515 QZDPUSMJZRSSSC-RUZDIDTESA-N 507.667 6.712 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1OC 1872748912 SHTDYOSVZHDXDH-OLUGBCFNSA-N 503.624 5.328 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c2ccccc12 1872758471 BPORAOOQWADQSB-RWEWTDSWSA-N 509.587 6.174 50 10 KKGE CCc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1877185887 KQHXHLKZIBXDIY-SSDOTTSWSA-N 556.343 6.469 50 10 KKGE CN(Cc1ccc(Cl)c(I)c1)C[C@H](Br)COCc1ccccc1 1900405696 WVOFCZMOJRWARZ-INIZCTEOSA-N 508.625 5.357 50 10 KKGE FC(F)(F)c1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924614971 USKRBOHWSRTKBV-SSDOTTSWSA-N 519.427 7.444 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)o1 1924616388 ODWJKRFZOUEZOO-LURJTMIESA-N 547.810 7.132 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)c1Cl 1925549536 WHEWNEREZDEWDU-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Br)cc1Br 1950209175 ZCDGLNWKKGXAPE-NSHDSACASA-N 503.879 6.828 50 10 KKGE C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@@]12CC[C@@H](C)CO2 2060323919 LPXKEZSZAHHYSB-NGPROXJTSA-N 544.893 8.002 50 10 KKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1c(Br)sc(Br)c1Br 2065537153 YIRUJBJIQCYSGV-MHTLYPKNSA-N 533.852 6.143 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(I)sn1 2082860159 YRKYCPIKEGFWNC-SNVBAGLBSA-N 523.415 5.657 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CC2)c1Br 2085494982 OOEZHQXWFKIABY-MVKOHCKWSA-N 566.751 7.219 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206407410 CFGMYTIDZRIIDP-ZDUSSCGKSA-N 676.060 8.590 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218595658 ABSAWPDXTYUJAE-GFCCVEGCSA-N 521.869 6.967 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2232176870 GVSHODWIYJDUOW-LURJTMIESA-N 556.343 6.469 50 10 KKGE Clc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)c(Cl)c1Cl 2232517675 VJOFYASONRFVKR-VIFPVBQESA-N 522.289 7.851 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2234062938 ALUZBTDLUYCEEH-HUUCEWRRSA-N 509.673 5.646 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1I 2248216921 WFEZQUAFZQMTSN-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Br)c(Br)c1Cl 2283559479 AEFJHODDBLNGEW-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Cl)cc(Cl)c1OCCOc1ccccc1Cl 2293176041 WJFQLFXKCHQHRH-UHFFFAOYSA-N 501.797 6.959 50 10 KKGE CCOc1ccc(C=C2CN(Cc3ccccc3)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 2295959112 NIMAEIGAJWYFAX-HKBQPEDESA-N 519.645 6.145 50 10 KKGE Cc1ccc(S(=O)(=O)N=C2C(Cl)=C(Cl)C(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@H]2Cl)cc1 2297733568 KJVBAWAOJCRNGK-WOVMCDHWSA-N 554.304 5.181 50 10 KKGE Brc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299492747 DNFQBIVRRCOHAO-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE CCOC(O)=C(C#N)[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501769 ZGOAHPRMVIRWKL-PKTZIBPZSA-O 527.826 5.683 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521281 COIFUXQKDFPUON-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Br)cc1 2313567766 OHMRGKMZNCFOAU-UHFFFAOYSA-N 611.334 6.055 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 2313630911 HTPRRVCXZRVVFG-UHFFFAOYSA-N 546.646 6.990 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 2314478982 ZUDAQXYABUOIGN-UHFFFAOYSA-N 575.068 7.716 50 10 KKGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](CC)C3)ccc1OC 2314571694 KIPJIFZQZVLWCY-GOSISDBHSA-N 510.656 6.173 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592313 QOLUTLJPCKRVOE-RUZDIDTESA-N 518.038 5.976 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592627 YXLGQZHXFYPXBO-RUZDIDTESA-N 552.483 6.766 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C(C)=C(C#N)C1=O 2314610366 GOWRPAKIMXMCGH-UHFFFAOYSA-N 585.730 5.352 50 10 KKGE CCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314611423 UBBPJWPLHVDKPS-UHFFFAOYSA-N 527.448 6.754 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 2314618938 XBBOEQKNKYALMT-UHFFFAOYSA-N 530.584 5.798 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 2328827788 JSFVNVOKVDZYOD-DEOSSOPVSA-N 508.018 5.505 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331251201 JFJDDVHOOYMJBF-ZDUSSCGKSA-N 514.390 5.749 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 2331305257 ISNWGMVAMPVMGM-UHFFFAOYSA-N 521.598 5.997 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3c(Cl)ccc(Cl)c3OC)n2)cc1 2331346071 XALLLCKYZXDMSE-UHFFFAOYSA-N 517.478 8.425 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331362740 JXPPZWKNGRIMSR-JOCHJYFZSA-N 519.648 5.646 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331399374 DASDMTMULNNEDB-PEBXRYMYSA-N 507.999 5.976 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCC(=O)N(CC)CC 2331416961 VQXPXZGJMCNGGS-UHFFFAOYSA-N 511.647 6.673 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 2331478285 FMYFOJUNNVJOAO-UHFFFAOYSA-N 508.687 8.376 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2337316942 JVSUXJWNCXTJKC-SECBINFHSA-N 645.607 6.717 50 10 KKGE Cc1cccc(C(CBr)(CBr)Cc2sccc2I)c1 2338751043 YLXYSPOGSDPFPC-UHFFFAOYSA-N 514.064 5.931 50 10 KKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)Cc1ccccc1Br 2377331098 UIEJZZPGPXJUOK-LBPRGKRZSA-N 528.453 6.456 50 10 KKGE F[C@@]12CCC[C@]1(CBr)CN(Cc1ccc(I)c(Br)c1)C2 2377349296 DFRYTPRIBJDPMS-LSDHHAIUSA-N 517.018 5.143 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 2329351 MCAHIYMNKRZCLU-STZFKDTASA-N 505.983 5.404 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041516 IZWCJOLXRONAFU-RWPZCVJISA-N 502.665 5.677 50 10 KKGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14032709 NLUGDMLJEPAIGX-UHFFFAOYSA-N 505.453 5.546 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)cc1 14661699 TZCSEBOAIVTCIO-UHFFFAOYSA-N 515.654 5.682 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 38608021 SIFYDEXBJMNNPD-MTDXEUNCSA-N 520.633 6.171 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 38660413 DBEFFXIOLSSYBE-PMERELPUSA-N 528.605 5.495 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 38683947 WEPSODUACZGALQ-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701103 DLFLRWYKCYKAGH-MHZLTWQESA-N 506.558 6.360 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(F)cc4c3C)ccc21 38701451 UWQWGEORGDWBJR-MUUNZHRXSA-N 526.564 6.887 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc3ccccc23)cc(Br)c1OCc1ccccc1 40912403 GIJSJGBMEXKKHO-MUFRIFMGSA-N 519.395 5.719 50 10 KKGE COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(Br)cc2F)cc1 97914311 DWCVTMPYEKRNFY-JOCHJYFZSA-N 511.819 5.359 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914723 MDWUMWTWPYXOBE-VUDGLICPSA-N 519.057 5.627 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)c1 100078159 HHZMXZNHOSGHQG-UHFFFAOYSA-N 523.039 5.065 50 10 KKGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100149965 LPPWKPSCNVMIFK-UHFFFAOYSA-N 609.340 5.114 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 100172565 BWGPZUACMZQOFI-UHFFFAOYSA-N 575.241 5.096 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCNc2ccc(Br)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 100292132 ICIQHKIORNAINI-FMFFXOCNSA-N 582.518 5.261 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340793 BCWFFXSUQSVLNT-VUTHCHCSSA-N 593.152 7.877 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101366493 BMJZRWZBIJFQJA-NIAUNUSRSA-N 523.372 5.848 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 101375576 YLSCCXGWKKRURI-LJAQVGFWSA-N 547.051 7.135 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101389171 DLGOHVKOPHDFEN-MGBGTMOVSA-N 580.612 6.178 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389757 RPXLTPIRLZLLFX-HKBQPEDESA-N 601.486 7.717 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101606894 UUQFRNSDVCIVEB-FDAWAROLSA-N 548.905 5.820 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 101727627 KHQQZIGRTDDVFT-XKJRVUDJSA-N 546.476 7.077 50 10 KKGE Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21 102688053 YPPXRKUPXBGJPP-PTGBLXJZSA-N 534.645 5.275 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741768 BRKSDBDBQJQZGM-KWLPWJRRSA-N 542.842 5.438 50 10 KKGE Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 103797606 VLUKWGVGVSEYPL-QXUDOOCXSA-N 530.628 6.631 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC1CCCCC1 110559096 GVPWXRPABYECTQ-LKUDQCMESA-N 557.720 5.460 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1cc(Br)ccc1Br 116715105 UWAGBWUGNCTIRR-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432890 NBLBGMMUGWKGCE-PSTIOWGYSA-N 649.502 7.701 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483830 VWIJRCWOLDGAEI-WJOKGBTCSA-N 637.903 7.437 50 10 KKGE O=C(/C=C\c1ccc(F)cc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 150644526 SFCDHIXRKXHQFS-WMXOHYAGSA-N 662.834 7.817 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 150646936 XWXZTENHAMDFTA-KGENOOAVSA-N 648.490 7.850 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c1 161284646 PDZXHNTWLAGXKZ-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 164720960 JIZACTHMHTUJTN-ZDLGFXPLSA-N 618.225 6.395 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198744217 QDGYEYWROYHPGS-WCMJOSRZSA-N 550.398 6.824 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@](O)(CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 199651158 ZAYSEZBMOHYFQA-CAHSIOJISA-N 924.727 19.065 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 214378952 MVXLWKOKFDDOFQ-YUMHPJSZSA-N 524.580 6.386 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)Cc1nc2ccccc2s1 232480492 WCTYLKYNMPIDHP-GFCCVEGCSA-N 523.031 6.342 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)cc1Br 235812777 BTWXDGHLNRPBBX-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNc2ccc(Cl)cc2)[nH]1 253560004 AGLIIMQAQXEWNQ-XICOUIIWSA-N 661.280 7.105 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 253562353 DDXHUOWKCXOZDK-IHELAITMSA-N 673.891 7.538 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624515 CXEJHJXCKOQGRK-LUWRNHIDSA-N 618.771 5.452 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2)cc1 254626568 HBEVIHWOTCNLTA-UHFFFAOYSA-N 533.657 6.242 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 254824234 KINVETURABWPLU-UHFFFAOYSA-N 560.606 6.272 50 10 KKGE Cn1ncc([C@@H](Br)c2csc3c(Br)cccc23)c1I 379209009 LYBOMCOPKNUZDC-LLVKDONJSA-N 512.008 5.486 50 10 KKGE CCCCCCOc1c2cc(CCl)cc1Cc1cc(CCl)cc(c1OCCCCCC)Cc1cc(CCl)cc(c1OCCCCCC)Cc1cc(CCl)cc(c1OCCCCCC)C2 409422208 XRAYOGFNAQGXLO-UHFFFAOYSA-N 955.032 17.155 50 10 KKGE COC(=O)[C@H](C(=O)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 575234414 JKMFKRMCPAVZBE-LITSAYRRSA-O 635.335 6.100 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3sccc3I)c1)OCCC2 688370888 KATCAGTZKCROFI-GFCCVEGCSA-N 514.020 5.925 50 10 KKGE O=C(O)c1[nH]c(SSc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c(C(=O)O)[nH]2)nc1-c1ccc(Cl)c([N+](=O)[O-])c1 725238084 KKPCXPLULOOYAI-UHFFFAOYSA-N 597.374 5.786 50 10 KKGE COCO[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3OCOC)C(C)C 725239008 IWNJMTRACSXNRV-BVVXOEFFSA-N 747.190 10.251 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 725447969 PBLKXHAISMZZDS-UHFFFAOYSA-N 633.985 6.799 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 1083977009 ZNSHWTKLQRWCGB-UHFFFAOYSA-N 593.149 5.530 50 10 KKGE COc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccc(Br)cc1 1084122697 RVZTZXQDDBZZFL-UHFFFAOYSA-N 524.234 5.625 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]([C@@H](C)CCCC(=O)OCC)CC[C@@H]23)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1084293987 GDQYJABERVWRRO-LHBUPFHQSA-N 659.157 11.556 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084616178 HJQGPCZESSEXHF-QHCPKHFHSA-N 556.413 5.299 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748274 VVBDMKRFUYKONH-UHFFFAOYSA-N 507.546 5.706 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(Cl)ccc5Cl)c(C)c43)coc2c1 1772751614 HOSZYLCQARRLAQ-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 1772752298 QVBNQOHUQMVVON-UHFFFAOYSA-N 554.872 5.980 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848435068 OYSKUZDIHNKWLV-CNUMRJFLSA-N 663.406 6.422 50 10 KKGE CCOc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc(SC#N)cc3)n2)cc(OCC)c1OCC 1860559934 PBOQAPFUWWQZHO-UHFFFAOYSA-N 506.584 5.355 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688760 ACGIBGKUBWHCCW-FQEVSTJZSA-N 564.267 5.886 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693166 HVHNVKBRQQXXEW-JGCGQSQUSA-N 556.666 7.174 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865695328 BMKDTICUCOAKLR-QFIPXVFZSA-N 546.977 6.730 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704411 VEGGUIBIWDJOTK-MHZLTWQESA-N 561.469 6.606 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706787 FODOSXIMTXDEDP-MHZLTWQESA-N 544.486 6.986 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866679422 QCKCXNZFKPGWFF-MUUNZHRXSA-N 570.690 6.569 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 1867026989 PUGRNUBNKCZCKM-IZZNHLLZSA-N 583.739 5.679 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867178381 RZEQNUDZBLZDEY-AREMUKBSSA-N 568.728 5.728 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(OC)cc3[C@@H]2c2ccccc2)n1 1868387799 AFSJMLCNAINURP-PMERELPUSA-N 507.663 6.907 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@@H](c4ccc(F)cc4)C3)n2)c1 1868506114 QQGWTWRYJRFKIQ-AREMUKBSSA-N 526.641 6.101 50 10 KKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)o1 1872728654 MYFXLVNCDLKNHF-NLTKXKDSSA-N 501.586 7.265 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591570 SEWYAEBKOCOSKI-SFYZADRCSA-N 525.970 7.934 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1924594347 MELASHOWHAUVFB-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCOC2)c1Br 2025779901 MXUYPYOMOXMHFA-ANLVUFKYSA-N 556.712 6.209 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2COC2)c1Br 2025784514 VZAPOXYBFMHMKL-LURJTMIESA-N 556.712 6.209 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cscc2OCc2ccccc2)c1Br 2081054379 IWADRMOTMPIBSX-HXUWFJFHSA-N 500.683 7.797 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467837 CRUOWOKMTJXWJI-VEMKMUPFSA-N 536.327 7.309 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(CBr)c(C(F)(F)F)c1 2145241990 MOOPHBFXJDYHMJ-UHFFFAOYSA-N 570.916 5.304 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c(F)c1Cl 2201608127 KXTKQXUBOBXNDM-LLVKDONJSA-N 554.248 7.390 50 10 KKGE C[C@H]1COc2ccc([C@@H](Br)c3ccc(Br)cc3I)cc21 2207259173 KEZPKHQPLDZSJU-XXFAHNHDSA-N 507.991 6.034 50 10 KKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 2219698870 GAINOACVPSOXGL-XPUUQOCRSA-N 525.926 6.819 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508167 BROHPDVCUAKAER-SNVBAGLBSA-N 526.252 7.795 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1coc(Br)c1 2260071730 SKTVCTHMAKIVRB-VIFPVBQESA-N 509.764 6.330 50 10 KKGE Cc1c(Br)sc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2277890085 SOGQPHLLHCEQKV-SNVBAGLBSA-N 552.351 7.629 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278103529 VPBPKBPSQHFGRP-CQSZACIVSA-N 528.072 7.123 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1COC2(CCC2)C1 2284848778 WUUVABMKAYUJAV-CPFSXVBKSA-N 552.326 6.976 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2293202223 ZPKPQNYUNRHRGE-UHFFFAOYSA-N 553.993 7.531 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)c(Cl)c2)C(=O)N1c1ccccc1 2296506867 IVGWYODORVGCGL-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296506932 MEJTUPQTWVEIHW-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OCc2ccccc2)c1C 2296790056 LGDOFMAWJODYNU-UHFFFAOYSA-N 529.643 6.690 50 10 KKGE COc1cc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)cc1Cl 2297299505 JHHYLTRQKAPNJG-UHFFFAOYSA-N 544.814 6.326 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630561 OGAVUDJFPBEFJY-UHFFFAOYSA-N 518.436 6.386 50 10 KKGE Cc1c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)nn1C 2314446230 SGVNMAJZCBSIPJ-GOSISDBHSA-N 529.070 6.317 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 2314482893 YRZOCJSXHJQRNY-YTTGMZPUSA-N 512.613 6.987 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(I)cc2)cc1OC 2314728893 PTRGWZPPHSIZLQ-UHFFFAOYSA-N 504.368 5.805 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 2314807921 JLMKRSZPONTSPN-UHFFFAOYSA-N 544.604 5.708 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 2314808158 HHULYNLDIRVVKG-UHFFFAOYSA-N 504.026 7.609 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccccc2Cl)cs1 2331267009 VSIWQAZAXXRENR-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331372000 YMKHNCDAJBOMEL-HSZRJFAPSA-N 501.608 5.939 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)ccc1OCc1ccccc1 2331491518 NEVZMLZNABMBAV-UHFFFAOYSA-N 514.603 6.488 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337110684 DCPOUBGOENRFIP-JTQLQIEISA-N 556.314 7.621 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2c(s1)CCCCC2 2361193507 AIKLMUWRYXHCEY-HSZRJFAPSA-N 506.303 7.843 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362225382 PYCBHZJFRKHLFF-JTQLQIEISA-N 554.277 6.467 50 10 KKGE N#C/C(=C\c1ccc(Br)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 4427951 QLULFTIUOZZAOD-IZZDOVSWSA-N 504.159 6.099 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38684294 XBHFPMJOJICAIC-GDLZYMKVSA-N 512.606 6.400 50 10 KKGE COc1ccc(Cl)cc1Nc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 40589750 ROVQRWITKBROAH-UHFFFAOYSA-N 504.934 5.066 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)cc1OC(C)C 98063425 XKIMRCRJIYANSJ-AUWJEWJLSA-N 508.756 5.742 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 100236285 OTVGPQDBGFZHQW-ZZJXEYPFSA-N 608.302 6.292 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc(Cl)cc1Cl)[C@@H]2Br 100935547 LFLYJVGTHWWIKI-RLCCDNCMSA-N 549.912 6.585 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc3cc(Cl)c(Cl)cc3nc12 100944186 WXLODTFSFSTAPJ-RPWUZVMVSA-N 548.268 5.489 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)sc2c1CCCC2 101022523 KTDLMNIFMMICPY-SZXQPVLSSA-N 598.728 7.869 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC 101034328 LHTKQCUTBBYLFG-VCHYOVAHSA-N 537.435 6.931 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101241590 HTVGEZKYRRUVHD-CKVBZJJFSA-N 500.451 5.845 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101303425 NMYYOUOKZBKFEZ-OGLMXYFKSA-N 527.584 5.292 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 101340462 BBVWONASUUCSLN-JVWAILMASA-N 532.575 5.788 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101341320 OODRCDOCGBCWJG-VUTHCHCSSA-N 580.685 5.818 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101367654 MZIWKCVXMSQSCR-YMZMCOLGSA-N 531.008 6.364 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101375631 KADMNCAKONBQPI-WJOKGBTCSA-N 577.077 6.900 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379278 HGKFIKGVLATBBO-PMERELPUSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381461 MLJJVNNNIGASEH-MUUNZHRXSA-N 553.412 6.465 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383670 KHASKEKUKHUFCW-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388656 PUBQJZWFWYOLAT-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610324 QKXLXPADBCAHRR-YRRMYEEHSA-N 608.492 7.107 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 103742762 CPGVWGWJFXQODN-GPSDDGMOSA-N 536.426 5.331 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2c(c1)OCO2 103890079 IDOUBLFDPVYSFH-LZYBPNLTSA-N 576.230 6.618 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105060572 WHXAHNGNRXDBSC-KPGMTVGESA-N 553.829 7.209 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150399323 GRMFVUDJLMMOOO-UHFFFAOYSA-N 629.143 5.856 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411499 NYIZNYDSTISMGT-HPTGVQRKSA-N 666.759 6.035 50 10 KKGE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 211936972 UGZRYGPDJACTJR-XDJHFCHBSA-N 551.159 5.651 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C1=O 214234021 RDCGWANJDRKQCZ-RRAHZORUSA-N 538.717 7.214 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 214405517 ZXWGECDDCKMVQA-YSMPRRRNSA-N 548.574 5.488 50 10 KKGE Fc1cc([C@H](Br)c2cc(Cl)ccc2I)c(F)cc1Br 236235430 PTCCYIGMDPIWRY-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 254339692 GGZMXPXHXVWQET-UHFFFAOYSA-N 570.605 5.709 50 10 KKGE CCOc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc(OC)cc1 254906991 VPHPNPXAESTYDW-UHFFFAOYSA-N 504.583 5.274 50 10 KKGE Clc1cc(I)c(OCCCCCBr)c(I)c1 309508761 RKLGQYKLKQLAGL-UHFFFAOYSA-N 529.381 5.493 50 10 KKGE Brc1cc([C@@H](Br)c2scc(Br)c2Br)sc1Br 705421066 WTFQXBRRCQSLGL-SSDOTTSWSA-N 574.777 7.344 50 10 KKGE Fc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721591655 DMDGTQOQTKSHJT-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE COc1ccc2c(c1)CCN(C(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725238940 ZCVOTCSGNICMPK-HSZRJFAPSA-N 522.976 5.674 50 10 KKGE CCCCCC/C=C\CCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)OC(C)(C)C 888085978 OZXGOUPLGDMBOR-QZUCWDLESA-N 511.864 8.296 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084212862 HWQQAKOISYBVFP-UHFFFAOYSA-N 669.613 5.737 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1084294009 UHCDRCBBCZLXBO-SWRLQSDYSA-N 641.186 12.671 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1084340426 WYIBDHTWBUXELR-CIAFOILYSA-N 579.292 6.538 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2ccc(C)cc2)cc1OC 1084372623 FPBSIEMPCGVJHV-UHFFFAOYSA-N 628.673 5.784 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1Br 1084560625 QTXUTWSWUVVAMQ-UHFFFAOYSA-N 643.991 6.173 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084631312 VXEAEVKOZDXJHS-VIZOYTHASA-N 626.088 7.551 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1Cl 1772749214 JEHGTKQSUVTQCN-UHFFFAOYSA-N 534.827 6.345 50 10 KKGE CN(C)/C=N\c1ncnc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 1848433232 LKINTERSOPTZRM-LBCUGJNRSA-N 665.117 7.748 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865687405 QLEYYKADVRHKOL-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688818 BTYOASZYSIPVAD-GOSISDBHSA-N 549.347 5.262 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865689024 IDITWRLGZDJFRC-PMERELPUSA-N 520.633 6.053 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865692881 PWDKEOLOARBGBY-JOCHJYFZSA-N 553.457 5.747 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694359 WZQZZRKFQPQLMT-NDEPHWFRSA-N 508.597 6.129 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865695305 NHHSQORNGPDFKW-AREMUKBSSA-N 508.578 5.482 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695538 POQBHGOZBVJUHO-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865695545 PQIZNUQKCICVFB-SANMLTNESA-N 508.578 5.232 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698871 FHMFSHBTVSPRRP-VWLOTQADSA-N 542.426 6.565 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 1865701482 WOTDVHWVIDZQTN-MUUNZHRXSA-N 545.470 6.961 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710169 QAMWUOYOTTVTSE-XMMPIXPASA-N 557.950 5.099 50 10 KKGE CCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866683958 IKGDGOAAZFRBQA-YJWXQWNFSA-N 527.646 5.517 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866739463 WDGZRSJBDOEFMX-KAYWLYCHSA-N 503.643 6.203 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](Cc4ccc(F)cc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866872913 OGJAXMQBJUBZHY-MHZLTWQESA-N 550.615 6.495 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867175567 RYNRCFNLERUECJ-DEOSSOPVSA-N 540.624 5.176 50 10 KKGE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218325 AMCAPSLTBUKSRP-DNQXCXABSA-N 521.614 5.472 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4cc(OC)ccc43)n2)cc1 1868527956 KWTQBZRZAWVLSG-FQEVSTJZSA-N 523.662 7.198 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1F 1872752878 XLQRRPCDBPWPGA-BVUYMAOVSA-N 514.578 7.008 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(OCC)c1 1872755166 BDUKCUDOZBWEQV-LVWGJNHUSA-N 517.607 5.809 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCCC)c(OC)c3)n2)cc1 1872791600 NEJFRCNCLFDDPD-LHLOQNFPSA-N 518.723 8.801 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Cl 1922894921 PRPWBJRQZPCMMJ-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(CBr)c1)Cc1ccccc1 2009621210 CEKJZAAYKZKNKG-UHFFFAOYSA-N 501.490 5.046 50 10 KKGE COc1sc([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2034636563 AZTLIHXQXGMOAP-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCN1C(=O)C(=Cc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)SC1=S 2053623390 VQMGHEZAARFLKH-UHFFFAOYSA-N 524.651 6.717 50 10 KKGE C[C@@H]1C[C@@H]1CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497020 DGPNOYGPYMVKNS-GJMOJQLCSA-N 568.767 7.609 50 10 KKGE C1=CC(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)=C[CH-][CH-]1 2086897369 SREWVEFCTITZGE-UHFFFAOYSA-N 610.586 6.864 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Br)s1 2113182225 FEIMFWNSHJSEBY-NSHDSACASA-N 532.921 6.786 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2142277419 PLOPDEOREBAJTQ-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE CN([C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2179790684 HTHMAQIMKAAGKN-NVXWUHKLSA-N 537.339 5.410 50 10 KKGE Clc1cc(Br)cnc1COc1c(Br)cc(Br)cc1CBr 2183581118 GQYCIJOORGQCSY-UHFFFAOYSA-N 549.282 6.496 50 10 KKGE CC1(C)CO[C@@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398569 WJYYCFHYRRBMFC-JGVFFNPUSA-N 598.793 7.378 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2I)cc1Cl 2207270894 FDGSJUNEULIKQD-CQSZACIVSA-N 550.843 6.853 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)cc(Br)c2)c1C 2218788643 DURYPRLLOATRTN-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224319306 DVVHOUOZWJTBND-SNVBAGLBSA-N 528.318 8.026 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)s1 2224797612 ZKNHYGNBEKFMGX-JTQLQIEISA-N 509.510 6.962 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)cccc2Br)cc1I 2269538761 CKJPDBOVTNUXEM-CQSZACIVSA-N 516.398 6.153 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2283575296 UYNIVMUOYNCWHE-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NN=C(C=Cc1ccccc1)C=Cc1ccccc1 2293110762 KWVVOQNULNJADZ-UHFFFAOYSA-N 511.419 6.880 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(C)cc2)cc1 2293735579 JARIZNUMWQIRKD-UHFFFAOYSA-N 528.594 5.067 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)C=CCCCCCCCCCCCO)CCC1(C)C)=CC=O 2294818688 GUIRYHSYZCBBET-JGCGQSQUSA-N 524.786 8.688 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)sc2c1CCCC2 2296719443 TWPYENJYJFICPK-UHFFFAOYSA-N 570.627 5.158 50 10 KKGE N#CC(=Cc1oc2ccc(Br)cc2c1Cl)S(=O)(=O)c1ccc(Br)cc1 2296791906 GDVHGSOJPQEBAN-UHFFFAOYSA-N 501.583 5.950 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2297458633 NXWIXJIESNDKCI-NRFANRHFSA-N 542.842 5.438 50 10 KKGE COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)COc1ccc(Br)c(C)c1)oc1ccccc12 2297708880 ZKTHHZBJHBKSAT-UHFFFAOYSA-N 538.398 5.565 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl 2313521400 LEGZWUWKQMRREL-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313567079 FSWWRPVRVUDAEI-UHFFFAOYSA-N 611.367 7.319 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(F)cc1 2313567344 JCYXPQMVTXSZIL-UHFFFAOYSA-N 511.597 5.398 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 2314477863 AVKOTRSCJOQVHJ-UHFFFAOYSA-N 558.613 7.202 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591732 CNBNFPAYZXXUHL-VWLOTQADSA-N 536.484 6.984 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314616827 KPAMVQCGXURZDX-UHFFFAOYSA-N 506.606 5.742 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617097 QPURZCBHWMXXCX-UHFFFAOYSA-N 570.617 5.656 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314617115 QYUGSRWFCRPMBW-NRFANRHFSA-N 532.644 6.096 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C(C)=C(C#N)C1=O 2314617509 ZNFPVMGQEXNDPE-UHFFFAOYSA-N 510.569 5.636 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)cc1 2314646834 QHUVWDSGQLHRDN-RUZDIDTESA-N 699.583 5.236 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314646921 USZLRIATJVJMDS-NDEPHWFRSA-N 648.741 5.172 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(Br)cc(Br)c1)C(=O)OC(C)(C)C 2315463514 RQWGXUJSDYFFPZ-GOSISDBHSA-N 591.122 6.179 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(C(C)(C)C)cc1 2331051491 BEIKZSTZKBXGIY-UHFFFAOYSA-N 500.551 6.315 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331232820 PMAMIFZPVLVBJF-UHFFFAOYSA-N 508.515 5.464 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1Cl 2331397473 HCCSYOBYILZHCT-UHFFFAOYSA-N 502.206 7.304 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331459116 NGUQKCHXCVHYBP-UHFFFAOYSA-N 511.405 7.908 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2scc(Br)c2Br)c1Br 2337085331 WZMIDMOPJFDKNE-VIFPVBQESA-N 576.732 7.919 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 2339677098 BGADMKNFTQWWPY-LJQANCHMSA-N 543.068 7.722 50 10 KKGE C[C@@H]1CCC[C@@](CI)(OCc2ccc(Cl)cc2I)C1 2340118773 ANRXEGUFUIBMPB-IAQYHMDHSA-N 504.577 5.845 50 10 KKGE FC1(F)CC[C@]2(C1)[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(I)c1 2364105385 DVIYDGPTYFRWAN-AVGNSLFASA-N 521.965 5.774 50 10 KKGE Fc1cccc([C@@H](CBr)OCc2ccc(I)c(Br)c2)c1 2377622243 PAUCGYGDZJGVOX-OAHLLOKOSA-N 513.970 5.846 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 9873758 BYPIYASFRZUNMT-SJORKVTESA-N 505.453 5.254 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 14768845 QXUFUGHUJXSTDR-DEOSSOPVSA-N 525.443 5.623 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38649421 YQRCDFXEQPEHAO-AREMUKBSSA-N 509.389 6.319 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679853 HFHGTVUXRAKJBE-SANMLTNESA-N 501.369 6.513 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1 39858616 PZYDOXITRVUPPJ-LGMDPLHJSA-N 501.340 5.103 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39993046 SSJZACFXMZRFHM-CPNJWEJPSA-N 518.495 5.977 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)ccc1Cl 40826790 UNQUXGNGRIUVRY-UQRQXUALSA-N 518.997 6.531 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 59679863 VBNZDOWEFDIALH-KVSWJAHQSA-N 503.769 6.745 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](Cl)COC(=O)CCCCCCC/C=C\CCCCCCCC 77301868 ZMFJCZXJMLCEFW-VCAYUJMESA-N 637.430 12.531 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100213606 AAOVHMNYCCMTND-JOCHJYFZSA-N 576.285 5.571 50 10 KKGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100250117 XUANLGCOSCCFDM-UHFFFAOYSA-N 546.693 5.221 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101336684 YIYVRECUQJQSMA-ZCTHSVRISA-N 566.617 6.504 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101375322 MNLLXXUKFMISJD-WJOKGBTCSA-N 611.522 7.554 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382754 YXNLNFCPMSFJIN-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385828 CLVKWNJAHMLQKF-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101396819 WIDBFMVKUDVODQ-VWLOTQADSA-N 539.415 6.618 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 102007092 XTBRZFBJWCYRPF-WKULSOCRSA-N 562.514 7.033 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 103806185 MUYQFMTYCCXQCY-OKCVXOCRSA-N 579.619 5.920 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1 103887315 QMEAGAQZVBWWDW-JAIQZWGSSA-N 540.255 6.953 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 104031783 JGWSTBXNTVUWGQ-AFUMVMLFSA-N 564.324 6.793 50 10 KKGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2)cc1 105055547 BOSZPLDLSHFTKV-VTNSRFBWSA-N 549.410 6.564 50 10 KKGE CCOc1ccccc1N/C(SCc1cccc(F)c1)=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1 105423058 VSMJGKGADUKZHL-FAJYDZGRSA-N 535.641 5.681 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)sc1Br 109870059 ROHAILQOMDEWMB-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C\c3ccc(OC(=O)c4cccnc4)cc3)c2C)c1 111081197 NFHFIXNYRGQBAB-MXAYSNPKSA-N 563.566 5.071 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cc(Br)c(Br)s1)OCCCO2 128552737 ACAXKKPZKLZWRK-CYBMUJFWSA-N 561.915 6.681 50 10 KKGE CCOc1cc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442528 ZDIKBWTXDHJAKE-YRAWXFAHSA-N 844.871 5.745 50 10 KKGE CC(C)(C)[Si](O[C@@H]1CC(=O)C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(c1ccccc1)c1ccccc1 196089526 VXNFOYSIFAQFRC-MEKGRNQZSA-N 606.955 6.630 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@H]2[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1C 200287021 GWUJDUKNOAFEOH-GVFQJMOSSA-N 638.813 9.294 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1cc(Br)sc1Br 228452731 JYOKUYGPCYHGOL-VIFPVBQESA-N 524.297 7.173 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)c3c(C)nc4cc(C)ccn34)o2)cc1 252618137 LEJRYWDRMBKUAV-UHFFFAOYSA-N 555.660 5.008 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 254289597 MNAAAYATSNARBP-UHFFFAOYSA-N 506.591 5.364 50 10 KKGE COc1ccc(C)cc1-n1nnnc1SCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254341466 CJOBDEJQROYOHR-UHFFFAOYSA-N 526.544 5.158 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1I 254766369 ZCKVPFDCNLRORF-UHFFFAOYSA-N 643.659 5.464 50 10 KKGE Cc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382704156 QYTBOFBONRZWRT-APWZRJJASA-N 514.201 5.545 50 10 KKGE C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 575232625 YGXDKYAIMAMUAT-HDZBMQMVSA-N 920.311 7.460 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=S)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642887000 BLKYMIQDVIRXHA-OWQHNLFUSA-N 877.130 10.293 50 10 KKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(I)ccc2Br)C1 693890275 HJUANBUAQQBPAH-ONGXEEELSA-N 515.027 5.126 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)S(C)(=O)=O)cc1C 725409438 KAHZVMQEPHRCBZ-UHFFFAOYSA-N 563.123 6.094 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(COC(C)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105668 RHVUGXPQSCLKSP-QGSVLFSBSA-N 538.725 5.884 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1083904776 XUXLHHVKJZIUFW-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Br)cc1 1084182461 JWJRZPCAPSLQLQ-UHFFFAOYSA-N 513.775 6.200 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 1084271571 VBHHCBURNWTGMM-UHFFFAOYSA-N 648.141 5.553 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1 1084273997 HBAIOHXDFBPKIB-KQWNVCNZSA-N 511.419 7.344 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]([C@@H](C)CO[Si](C)(C)C(C)(C)C)CC[C@@H]12 1084294018 XZZZANOWCHJRTD-JNHPWRPPSA-N 559.040 10.844 50 10 KKGE COc1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C(=O)O)cc1 1084297402 DAWWCCMRHNXOCT-UHFFFAOYSA-N 646.356 6.161 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2ccccc2c1 1084399882 ZIWBNARBTLKYDU-CIAFOILYSA-N 537.830 7.933 50 10 KKGE O=C(NN=Cc1cc(Br)c(Br)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1084436223 BIBUMZXYVOTYCJ-UHFFFAOYSA-N 521.253 6.428 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1Cl 1084611798 PPXOCANCNYXWDN-DEDYPNTBSA-N 527.835 7.509 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743588 CUQBIUMKBOWYLA-UHFFFAOYSA-N 592.231 5.678 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 1772753714 DSLNKPVQHPEUHI-UHFFFAOYSA-N 525.443 5.711 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 1772755216 UZCPTWBPJQJKKO-UHFFFAOYSA-N 685.880 8.753 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865691205 MLWBYFZILXWEGZ-SSEXGKCCSA-N 564.686 6.793 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694728 ADZSGHYVEDSPJM-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694872 DOGUYTODYYBYGP-FQEVSTJZSA-N 502.924 6.008 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 1865701056 KQAYFSZBQWOPDY-HHHXNRCGSA-N 547.442 6.352 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703039 LJNLIRZHMQOXRI-MHZLTWQESA-N 511.025 6.584 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866774047 YUMISTCUOYWDGA-URLMMPGGSA-N 523.633 6.287 50 10 KKGE CSCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783599 VXZOTFJZBXZKQY-DQEYMECFSA-N 525.646 5.937 50 10 KKGE CC[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867130895 YMADRZANFCTQFG-CPJSRVTESA-N 566.521 6.281 50 10 KKGE C=Cc1ccccc1OCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867266225 ANJPHRALQYGWJS-DEOSSOPVSA-N 503.649 5.338 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@H](Cc4ccccc4)COCC3(C)C)n2)cc1 1868320815 OLNLGJYFXGZGBZ-AREMUKBSSA-N 521.690 6.995 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415297 XEZFVXCSHMYYSY-JOCHJYFZSA-N 514.054 7.162 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)n2)c1 1868505312 GTDLXLXICBENEF-JGCGQSQUSA-N 569.734 8.206 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@H]3c3cn(C)c4ccccc34)n2)cc1 1868527955 KWOSJMRDSIKROO-SSEXGKCCSA-N 575.698 6.028 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)n2)cc1 1868544219 ATDBBYTVLFUFCG-GDLZYMKVSA-N 564.734 7.316 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1sc(Br)cc1Br 1922882686 BBCJYFXZARGMPQ-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2ccccc2Br)c1Br 1922905556 ACXYLIZVDVWZAZ-JTQLQIEISA-N 517.906 7.023 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1Br 1922935520 QNWVQUYDPPPBLE-NSHDSACASA-N 503.879 6.828 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCCC[C@@H]32)c1Br 1924616804 SYRBLAXLRFMFQY-QHOPCYEYSA-N 521.938 7.298 50 10 KKGE Brc1ccc([C@H](Br)c2cccc(I)c2)c(Br)c1 2024292825 DIXIHQDVOREPCU-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE C[C@@H]1C[C@@]1(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780109 PARIDGFFMIYQMU-IDTHNEBUSA-N 554.740 7.219 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccccc1I 2036570919 FUHRMSGYQFYZFW-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1cccc(Oc3ccccc3)c1)CC2)NNC(=O)c1cccs1 2042440890 WJENPHAJHZEJFZ-UHFFFAOYSA-N 575.646 6.193 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2050318578 JDPMAFRUYMKLCP-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE CC1CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493756 GPMIQOOTRCNAPJ-HNQUHTCLSA-N 524.316 7.453 50 10 KKGE CCC(F)(F)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496945 YUEJVCSYTSYQMH-ZETCQYMHSA-N 578.709 7.608 50 10 KKGE COc1sc([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2086140038 XCBNHVMEDBFPNQ-NSHDSACASA-N 522.427 6.215 50 10 KKGE BrC[C@H](Cc1c(Br)cccc1Br)c1ccccc1Br 2094096146 VBCUKEXRUAJFQA-JTQLQIEISA-N 511.877 6.695 50 10 KKGE COc1cc(C)c([C@@H](Br)Cc2ccccc2I)cc1Br 2198739293 KVDSKCQFCNQSMA-ZDUSSCGKSA-N 510.007 6.049 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCOCC2 2206393882 BZMFWIUOELLNTG-WPPNPWJKSA-N 552.326 6.833 50 10 KKGE CC1(C)[C@H]2C[C@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206396166 SWMDDKDLRZUXLG-YDMJGRFRSA-N 550.354 7.699 50 10 KKGE CS(=O)(=O)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206397591 LBEHOKAORWHZPF-NSHDSACASA-N 574.354 5.984 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2Cc3ccccc32)c1Br 2206398738 YJAVBXKOOQVHNQ-NOZJJQNGSA-N 588.757 7.513 50 10 KKGE O=C(NC1(CBr)CCCCCC1)c1ccc(Br)cc1I 2207275382 LDMZXSLRACGRPT-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE CO[C@@H]1CC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2220513104 IEWKZDWXZPXHRZ-RFSVNVOPSA-N 526.288 6.442 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)c(Cl)c1Cl 2224314058 WYJYFJHDEWINGH-SNVBAGLBSA-N 548.736 8.324 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)c(F)c1Br 2236110867 RUSOKKLHUFJDFN-LBPRGKRZSA-N 537.793 6.876 50 10 KKGE FC1(F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2266147542 ZMLUBCJKZKQYTE-IYSWYEEDSA-N 543.891 7.297 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(I)c(Cl)c2)c(Br)c1Cl 2283554273 NPHZZYIBCIJYEA-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Cl 2283584189 PPWZFMXRFAWUOG-OAHLLOKOSA-N 504.420 7.306 50 10 KKGE COc1c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)csc1Cl 2284308610 HCYLMIWZHJMWNK-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)cc(Br)c1 2288359639 ZJRSDCXHYWYNMF-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE CC(C)Oc1c(I)cc(I)cc1C=C(C#N)c1nc2ccccc2[nH]1 2294623686 SPTCUAQWPQCZIE-UHFFFAOYSA-N 555.157 5.623 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2C3)c1Br 2298422219 YOKOQVCFJZMIPW-XKBZYTNZSA-N 507.911 6.908 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313566838 BOVDTMXZUTZYGY-UHFFFAOYSA-N 556.877 6.490 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc(C)c1C 2314571898 OFAIFAWDXLETNM-UHFFFAOYSA-N 505.983 6.549 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591934 HZOIOBYFRBYANJ-XMMPIXPASA-N 538.456 6.375 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592091 LSVLCNKKCUFYLS-GDLZYMKVSA-N 539.701 7.007 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 2314616496 CAJALQYEYCUMKG-UHFFFAOYSA-N 634.708 6.709 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314616981 OIEQHKBGDQPUJS-UHFFFAOYSA-N 637.567 8.350 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314619875 GOQDUTZZCMUJKI-UHFFFAOYSA-N 612.636 7.189 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 2314640620 DGROUUQZZLLTGF-MGBGTMOVSA-N 528.608 6.719 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487628 FZTDNENCGBWKIH-UHFFFAOYSA-N 555.641 5.573 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331238726 QSRQJXDKNRRPFH-IBGZPJMESA-N 501.995 6.471 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331340149 UQKUAVULRNEKJE-UHFFFAOYSA-N 510.531 5.741 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Br 2338757793 MQJXIISHJOCZNB-ZAOWEBSESA-N 500.012 5.775 50 10 KKGE Cc1ccc(CBr)c(OCc2ccc(Br)cc2Br)c1Br 2380669110 CGHUZFLTMUNLNY-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2ccc(I)cc2)c1 2381253023 FWAADOFFMIXWPK-HNNXBMFYSA-N 510.007 6.109 50 10 KKGE Cc1cc(=O)oc2cc(N/C=C(/C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)ccc12 1749289 UKRSKJMVLSGULV-PTNGSMBKSA-N 532.375 6.070 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 2076813 AHWLJHOVUHACLK-UXHLAJHPSA-N 501.583 5.361 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14033119 JKJBPDOWCHRTGK-UHFFFAOYSA-N 505.640 5.174 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 33306114 VAOFVHYTSVLHLS-AQTBWJFISA-N 512.374 5.440 50 10 KKGE O=C(Nc1csc2c1CCCC2)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1ccco1 33352993 IPOZDOMEIQTUBN-WJOKGBTCSA-N 577.706 6.811 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 33416639 HSZKRUWHQSXFJM-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE Cc1ccc(N2C(c3ccccc3)=CS/C2=C(\C#N)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 37442147 MRWWJGXRZSKXIU-WEMUOSSPSA-N 512.660 5.328 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38606718 KREULUOXWOXZOB-BUVRLJJBSA-N 506.574 5.211 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38659953 PWPIHRQHDXSJQL-WRHNGFHOSA-N 514.578 5.418 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38685174 WEOHIFPDWNJJTR-LJAQVGFWSA-N 512.606 6.338 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(OCCCC)c3)ccc21 38686180 FGWIXTHJAWJJDM-PMERELPUSA-N 526.633 6.872 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 58893895 ILSPNQKSNKGXPV-DOCWCXJCSA-N 515.437 6.243 50 10 KKGE Cc1cccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)c1 59500457 CYWCGLPTGHFXCW-ZRGSRPPYSA-N 506.183 6.047 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 100232195 NHNPRSXZWOONFK-NRFCLKMUSA-N 535.855 6.588 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 100452322 ZBYHAJDGTCNWGF-MGCJZSHXSA-N 611.249 5.736 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 101245845 AMVGILNEGHVQIS-UZEPBSNMSA-N 536.484 6.984 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101339459 PPIXAHFLLAGPRE-QHFGQAMDSA-N 540.623 5.964 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCCC(C)C 101375116 XSFCSCOQNPBUTR-JGCGQSQUSA-N 556.659 6.330 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376501 ZLFNIOFADGMWPX-VWLOTQADSA-N 521.367 5.050 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382915 SHXHRWKRUYZHJU-UUWRZZSWSA-N 573.048 7.438 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383049 JAQUTVPMKPTMDF-NBLPZQPVSA-N 595.095 7.633 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383274 LVRRRMAWVCBFIT-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 101385715 UMAXVENTFVCRNN-WJOKGBTCSA-N 614.010 6.038 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c1 101388672 TYNGABRYHZTMFC-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101395426 HFWLDGNEHQBHFK-SSEXGKCCSA-N 566.654 7.373 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)CC1 101398724 WAYNGNQEXRVALT-KHZVSIKASA-N 554.662 7.525 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101399704 CCEHETPGLQUZCC-JGCGQSQUSA-N 597.067 7.072 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 101405914 MRFSKLUHCNKHJS-WVGJAKOGSA-N 618.715 5.245 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 102458180 VOMJABLLAXJBNQ-HEHNFIMWSA-N 506.628 5.302 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 102933221 ZPSPOJLQCQFVRS-PXNMLYILSA-N 516.312 6.174 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103796901 BGMXZMYRSIIBPX-AUEPDCJTSA-N 555.020 5.496 50 10 KKGE CCOc1ccccc1N/C(SCc1cccc([N+](=O)[O-])c1)=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1 105423071 WGRAJWKGVKZADE-FAJYDZGRSA-N 562.648 5.450 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1Cl 150461231 NMFXUHDJTSEARP-XIFFEERXSA-N 677.556 8.726 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462282 KZPUCCSVXARLQO-HKBQPEDESA-N 671.931 8.182 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485023 GEIDXHBVXNQOIA-LJAQVGFWSA-N 642.322 8.325 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)sc2c1CC[C@@H](C)C2 150485827 KXBWPCRCAZELIH-NHFRZFNDSA-N 674.219 7.452 50 10 KKGE CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 164601293 IFSCALSPTQVQEF-PPFNPFNJSA-N 650.595 6.714 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206501652 IEUFFHDMIYWSKN-NYPLSXEESA-N 544.604 5.708 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214347440 JKCIUKAWYRCRIG-COEJQBHMSA-N 542.639 6.161 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(Br)ccc1Br 228451994 SCDHAZKLIVVBDM-GFCCVEGCSA-N 518.268 7.112 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc(Br)sc2Br)c1 232482250 MIJUVGDMEPOOPK-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE COc1ccccc1NCc1nnc(SCC(=O)NN=Cc2ccco2)n1-c1ccc(Cl)cc1Cl 252604687 GDAWJRIWVGGPFC-UHFFFAOYSA-N 531.425 5.030 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 254414500 KGEBWCCLSBSSPZ-MHZLTWQESA-N 563.521 6.303 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254479745 WVMHRRKAMWETCZ-XJTGPPOSSA-N 582.682 5.353 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)c(OC)c2)cc1 254816121 BBABOQYEXVIDCB-UWPGTGDCSA-N 502.567 5.022 50 10 KKGE COc1cc(Br)cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1O 254873671 DASCNZCSDSIPAA-LJQANCHMSA-N 631.556 6.140 50 10 KKGE Fc1cc2c(cc1Br)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705609825 KECFEZWCJOOAOV-UHFFFAOYSA-N 528.853 6.148 50 10 KKGE Brc1cccc(C[C@H](Br)c2ccc(I)c(Br)c2)c1 721572894 NPQJUENQIRJFCK-LBPRGKRZSA-N 544.850 6.495 50 10 KKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)sc1Cl 721584377 DIUAPDGQQCZWSR-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C/C=C/[C@H](CCCCC)OO)OC(=O)CCCCCCC/C=C/C=C\[C@H](CCCCC)OO)OO 725423202 SOQCDTNXVWQPLF-OHFTUILTSA-N 989.426 16.220 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 1083906484 HOPPXHQRWSPXOK-UHFFFAOYSA-N 645.678 6.779 50 10 KKGE CN1C(=O)C(=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2cc(Br)ccc21 1083936793 UPIRLJNOGFMSIA-UHFFFAOYSA-N 576.514 6.305 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1Cl 1084023260 QIMRPJPKBZZIEQ-WQRHYEAKSA-N 512.349 6.425 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084254988 XEICUXRWMUMYBD-UHFFFAOYSA-N 657.929 7.419 50 10 KKGE O=C(NN=Cc1cc2ccccc2cc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084550366 OMHJWJUMROYRTG-UHFFFAOYSA-N 532.256 5.734 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084639643 WSFQMZFIPUKFDE-DEDYPNTBSA-N 511.405 6.915 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084641979 FOOZKNLYGORFOW-OVCLIPMQSA-N 571.085 8.187 50 10 KKGE Cc1cc(N[C@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)ccc1I 1088664187 KZGXUVSABRIAOY-VSWHYLHOSA-N 507.375 5.857 50 10 KKGE CC(C)(C)N(NC(=O)Nc1cc(F)c(F)cc1F)C(=O)c1cc(Cl)cc(S(=O)(=O)c2ccccc2)c1 1615945806 CCFSMNYBWKLCFB-UHFFFAOYSA-N 539.963 5.568 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(C)cc3Br)c(C)c21 1772745648 FEHZXZKURCDDOK-UHFFFAOYSA-N 510.388 5.390 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1OC 1772748073 HYPOVIBDIJTMIZ-UHFFFAOYSA-N 565.670 5.566 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 1772760333 CVLXIRKVZWJZLS-UHFFFAOYSA-N 529.449 6.090 50 10 KKGE COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CC[C@@H](C)C(C)C)C2)ccc1O[Si](C)(C)C(C)(C)C 1848433069 GQNBLZGZVDHGGR-ANRALWKHSA-N 693.142 12.372 50 10 KKGE C[C@H](CCCI)[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](OC=O)C[C@H]1C[C@H]3OC=O 1848440860 WNHHOJCQNCLKCO-NHIVXQJVSA-N 544.514 6.190 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665469 KCEQSXCXMOAMQF-JUCFQJIESA-N 561.335 10.908 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865685048 CXDOAPMKXOVFQB-FQEVSTJZSA-N 508.236 6.716 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865696906 LHFGDYJTUOAOSH-FQEVSTJZSA-N 529.822 5.476 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702600 BWRQJDVKAHUCLX-NDEPHWFRSA-N 508.597 6.129 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705361 TUPMAZVBHYUOGH-SANMLTNESA-N 542.998 6.114 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865707553 ZIOCIPHMPLQNMI-QGZVFWFLSA-N 511.287 5.433 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866739470 WDGZRSJBDOEFMX-SXOMAYOGSA-N 503.643 6.203 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 1866938191 BWDLHKFJBXJSHD-SDHOMARFSA-N 505.640 5.559 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139554 QHKYPGXXERPSSW-UKILVPOCSA-N 554.137 6.320 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CC2)c1 1868321034 SNDPJNKEIABFMO-UHFFFAOYSA-N 536.705 6.142 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)[C@H]2CC(C)C 1868414967 RQOYWVWBNZWYNT-NDEPHWFRSA-N 540.136 8.572 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 1872754517 WPTFHLKFEHBBKD-AQTBWJFISA-N 507.311 6.200 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c2ccccc12 1872758674 KVLFGXBHLRJCRQ-ATJXCDBQSA-N 511.430 7.931 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccccc1C 1872782717 QPQCVSWFWOHBAP-LQKURTRISA-N 506.671 8.039 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793121 IXTFJMLARNZTCQ-XIEYBQDHSA-N 521.041 8.899 50 10 KKGE Cc1scc([C@H](Br)c2sc(Br)cc2Br)c1Br 1902871906 NFPCXSVHLPTRPB-VIFPVBQESA-N 509.908 6.890 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3c(c2)CCCC3)c1Br 1924572552 ZQRRXUCJRFFNAY-LBPRGKRZSA-N 543.944 7.399 50 10 KKGE CCC(CC)([C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924607882 AIDOKFVVIYDKMF-SSDOTTSWSA-N 507.435 7.684 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)sn2)c1Br 1983288467 BYBBRQLHVAXKLA-ZETCQYMHSA-N 510.896 6.285 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2039360872 WRKQQMTZRDLEAE-KHQFGBGNSA-N 523.954 7.688 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 2111098170 ZOCZZOAOUUFEQF-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE CO[C@@H]1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265855 COZPKMWJQWILGD-BHNWBGBOSA-N 541.925 5.912 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCC12CC2 2141468222 HPJBSGLJAREDMC-WPPNPWJKSA-N 536.327 7.597 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146628947 PXMYIZAJJFNDOA-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(I)ccc1F 2169668812 UOQOAIASRDDNAK-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CO[C@@H]2COC[C@H]21 2206394076 DGLXWKWAPDZKJW-FITKCZHHSA-N 554.298 5.678 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(Br)cc2I)c1 2232137400 GCNWESLEUAFDFQ-ZDUSSCGKSA-N 534.844 7.039 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1C 2237632117 SUXXROLSKJMZCS-GFCCVEGCSA-N 675.698 8.662 50 10 KKGE Fc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)cc1Br 2267748340 HCULFADMZHEBJI-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1COC2(CCC2)C1 2284848779 WUUVABMKAYUJAV-FUXBKTLASA-N 552.326 6.976 50 10 KKGE Fc1cccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1I 2288480691 MJRXFJYYQDRTSS-NSHDSACASA-N 540.342 6.562 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293198157 AVKGUZIRZNYDDY-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE COc1cc(OC)c([C@H](Br)c2scc(Br)c2Br)cc1Br 2295415893 CKNDEUNALRODOZ-NSHDSACASA-N 549.904 6.537 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506881 JPLMSLWARUIZFR-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1Cl 2296507005 OTGCHKJUHHNDAK-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE C(=Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCCC2)o1)c1ccccc1 2297549055 ONQYCNKVXSUONX-UHFFFAOYSA-N 501.590 6.065 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1c(C)cc(I)cc1C 2297560807 ZICFMGKCNYRZHU-UHFFFAOYSA-N 578.410 5.875 50 10 KKGE CN(CCCl)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 2313548090 LIWHBVKVRDXQBM-UHFFFAOYSA-N 518.057 5.496 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C(=O)O)cc1 2313566923 DMWBYVUQSVIMQN-UHFFFAOYSA-N 637.474 5.223 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1 2313567366 GHOXAIUWXIGPAA-UHFFFAOYSA-N 542.348 5.872 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Br)cc1 2313571559 ZAOJGAPJUXVKNR-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE COc1ccc(N2N=C(c3ccccc3)C(=C(C)NNC(=O)C(c3ccccc3)c3ccccc3)C2=O)cc1 2313682945 OIBCBPUPTZBUGE-UHFFFAOYSA-N 516.601 5.173 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592239 OQRNGBMPPZUOIV-SANMLTNESA-N 532.065 6.537 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592283 PSXWXLBFBZCKSM-VWLOTQADSA-N 502.039 6.276 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593535 OSNWUGDNPOLREW-BCHFMIIMSA-N 549.618 6.571 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 2314616778 JNNUYHBEGYOGOW-UHFFFAOYSA-N 542.639 6.347 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646555 BQTDGJXBQSKGDF-LJAQVGFWSA-N 678.836 6.357 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)c(C)c1 2331394396 BMRJJJDKYXTZPM-UHFFFAOYSA-N 508.397 5.587 50 10 KKGE Clc1ccc([C@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349851948 KIIAKPBMXAYPFN-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1C[C@H](Br)C12CCCCC2 2367598999 AIQMZGGNSCBIAY-GJZGRUSLSA-N 514.039 6.057 50 10 KKGE CN(C)c1ccnc(Oc2cc(Br)cc(I)c2)c1CBr 2377529568 PSEDUVIAUIIUQP-UHFFFAOYSA-N 511.983 5.202 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccc(Br)cc1 8427299 XGTWTSMPIZVMQE-UHFFFAOYSA-N 543.373 5.651 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 38686351 JAHPZAQUTFYRNY-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 40813735 LQDOTJYDCRDOBB-VUTHCHCSSA-N 514.365 5.404 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1F 40924613 IXEHRHMWHRXHLK-WKULSOCRSA-N 521.639 6.169 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Br)c1 58889282 APTPWABIEUTWCM-FJLJVCJUSA-N 515.835 5.954 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12 59676618 YWBALUREVMUGBS-NHFJDJAPSA-N 503.602 5.683 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2cccs2)C(=O)CCl)cc1OC 97914726 DQKVMJQXMWOYTB-NOKYJCPASA-N 507.096 5.549 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100226335 RIYXDXYHLJXIOJ-VXLYETTFSA-N 607.275 7.430 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 100233560 IGQGEIVJPIVVML-DQSWQQFISA-N 585.451 5.128 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 100327621 KXFFGBAXVDPZQG-HSMHNTNPSA-N 531.834 5.654 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 101034076 DFHAGDBAFLLFCA-FYJGNVAPSA-N 607.489 7.604 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)COc1ccc(Cl)cc1Cl 101134708 AZLVMXNYMCHTHQ-UHFFFAOYSA-N 547.442 6.239 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101340914 PJVUSKFDMXRFOT-YDZHTSKRSA-N 533.411 6.373 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362487 DNZGAXBVMIFVOP-WJOKGBTCSA-N 532.596 6.490 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101370580 WLMHLFLVCRHVPF-KJBIALHLSA-N 551.426 6.628 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 101377678 HPKCTFLPLUNBSZ-SSEXGKCCSA-N 547.051 6.892 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 101382308 VIYDFPVDNQATDK-UUWRZZSWSA-N 574.677 7.074 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101387250 ZZBCXVCGCPBWQB-PGUFJCEWSA-N 586.619 6.933 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(C)cc1 101387797 SPDNOKYKOXOQFA-UUWRZZSWSA-N 590.676 6.792 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1F 101389117 HMQNEZHUFUQOMP-PMERELPUSA-N 554.549 6.380 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389251 QMTWCSXEPBNTHQ-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1Cl 101390395 CBFZVOYFZBODGN-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101395222 VTDUQFGIDWLNOK-MUUNZHRXSA-N 538.556 5.418 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101397271 YQMMGODWLSWVAY-RUZDIDTESA-N 579.505 8.214 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)COc5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 101619906 RQYJJIBPMSSXJA-STKMKYKTSA-N 611.482 5.497 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1 101727549 DTUMLHPFMDXWRJ-AMVVHIIESA-N 572.539 7.337 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Br)cc1 102262628 YEAOBIVVSQWDOT-NVMNQCDNSA-N 546.248 7.279 50 10 KKGE CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 102456744 WJRUQBHMWPLNEI-VOEFLUBFSA-N 511.647 6.103 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OCCOC)c1C 102924654 UVVUHAAUXRJOPB-QGOAFFKASA-N 511.625 5.445 50 10 KKGE Brc1ccc([C@H](Br)c2ccccc2I)c2ccccc12 127460430 UHNIFHXXTPXPJG-KRWDZBQOSA-N 501.987 6.691 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 150382958 QKEOSCSJVAKKGZ-MGCJZSHXSA-N 719.155 6.201 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 150423645 UMYSBKMDMCWCHE-RQZCQDPDSA-N 699.670 6.891 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 150429932 SUKDGIJLGNERAC-DVMDLWDRSA-N 636.914 6.285 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150486310 UDXQVTBXABIFGO-JTMIDMFHSA-N 659.566 8.295 50 10 KKGE Fc1cccc(CC(CBr)(CBr)c2ccccc2Br)c1Br 157925893 NPULDJFJCOBBSF-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE Cc1nc(C)c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1C(=O)N/N=C\c1ccc(Cl)cc1Cl 198693836 WAKDKDDTOKAZTM-OHLMBILRSA-N 537.234 5.840 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214291920 LMBVGTXDNOBSAR-COEJQBHMSA-N 558.638 5.747 50 10 KKGE COCCOc1ccc([C@@H](Br)c2cccc(I)c2)cc1Br 229016056 MCXHZBCBKVNUOR-INIZCTEOSA-N 526.006 5.563 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)cc1 252617513 KUQJHNZBPUCOJM-GTQKESIXSA-N 546.115 5.954 50 10 KKGE CC(=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 252627467 RUYHBOCGLZRSQU-UHFFFAOYSA-N 554.672 5.291 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253571381 OWQPJMWOKVREOX-IPPBACCNSA-N 555.495 5.120 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 254735290 YJASPBDVFBPQJW-MININPTESA-N 549.121 6.108 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Cl)cc(Br)c2)cc(F)c1OCc1ccccc1 725424154 MVVMCDRGEQWXMG-IBGZPJMESA-N 502.580 7.444 50 10 KKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c(C[C@@H]4CC(c5ccc(F)cc5)=NO4)c(OC)c4c(c3OC)OCO4)c(-n3cccc3)c12 1081098374 ZLDYBBVKRIIMGT-HSZRJFAPSA-N 685.734 5.926 50 10 KKGE CCCCc1oc2ccccc2c1CC1=CC(I)=C(O)[C@H](I)C1=O 1082552864 SGODVIIEMOHZQU-QGZVFWFLSA-N 548.158 5.835 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1083967865 REERAEHGHDHTRN-OAHLLOKOSA-N 561.263 5.633 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 1084054250 KXFFGBAXVDPZQG-JOCHJYFZSA-N 531.834 5.654 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084135633 FCXKARFXMZNSDZ-XQNSMLJCSA-N 591.462 5.591 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 1084206358 KSXSPWUZHRVBCH-UHFFFAOYSA-N 591.289 6.724 50 10 KKGE COc1ccc(/C=C\C(=NNC(=O)CC(=O)NN=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084213011 GSIHQKHTEPMITA-XBQIMKLXSA-N 632.717 5.879 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 1084214005 ZYZGEGSPGOIJAE-QHCPKHFHSA-N 529.406 5.530 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2)cc1 1084294090 GQGUOIVNQSKKDX-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1084360381 UMWCXHKQBGQNHX-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE COc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12 1084392723 CXRJJNJOBHZQDL-UHFFFAOYSA-N 500.598 6.710 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)NC3CCCCC3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084609337 IRYXGOGSABSYAK-UHFFFAOYSA-N 605.544 5.185 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\C=O)[C@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O)O1 1307286689 NKOQYQIQXGIMOO-LDLXWDHXSA-N 642.865 5.316 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614617614 RNKPUVKCIOJQFI-YJBOKZPZSA-N 557.272 6.511 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744003 OEOYRJXXQUBTLX-UHFFFAOYSA-N 552.812 6.242 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746055 ADLMEIJZMLAAPY-UHFFFAOYSA-N 567.649 8.393 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747553 PUWHXALBVRZYSQ-UHFFFAOYSA-N 541.007 5.454 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865688077 IIGADNQLUZRVLS-QHCPKHFHSA-N 559.420 5.633 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cc(Cl)ccc1O 1865688903 DRMPGXDWGDVSFH-OAQYLSRUSA-N 519.786 5.879 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865690988 GRQIOFYNZFLUJZ-KRWDZBQOSA-N 543.384 5.870 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865693798 ZERWXQPYHYNXQU-HXUWFJFHSA-N 503.441 5.414 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCc1ccccc1 1865693995 NVUUXCKDTBEHCC-HHHXNRCGSA-N 522.605 5.774 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865694811 CECSHNNGOHBQGT-MHZLTWQESA-N 512.997 5.948 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1O 1865695921 JBYNAALWXWSPGH-HNNXBMFYSA-N 541.711 5.239 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696037 BKDYITQUWIPQDH-HHHXNRCGSA-N 557.050 6.607 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1O 1865696170 KOGFAXTVVRDRBZ-QFIPXVFZSA-N 529.394 5.293 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696390 FRLUJTYIPLIWNF-HSZRJFAPSA-N 577.866 6.581 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865702641 YAWLVXGTNGTYSM-SANMLTNESA-N 526.040 6.266 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cc(Br)ccc1F 1865702653 YJZMUDCDZBSWPG-LJQANCHMSA-N 529.291 6.164 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706931 JAJQIWQSYNDMSS-MHZLTWQESA-N 510.041 6.333 50 10 KKGE CSCC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997544 SVGOAGHWUOGPOO-SFTDATJTSA-N 510.512 6.183 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867130812 XIYNSOFYOGEZCX-XRKRLSELSA-N 586.113 6.516 50 10 KKGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867198477 UNIMMGVBVHOHGC-RUZDIDTESA-N 575.488 5.894 50 10 KKGE COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868479820 BMVRSTDZNCMABD-LJAQVGFWSA-N 527.625 6.410 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745229 YKLITGSQZJCPTD-ZTPHYQCWSA-N 512.418 6.620 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c1 1872754728 GHMJCTCGHCVIHZ-UZYVYHOESA-N 518.422 6.137 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 1872790821 GSKPTJUWTCHXBT-YBFXNURJSA-N 513.457 7.221 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872791507 LOLFDVLTJCZQIM-PCLIKHOPSA-N 517.695 7.034 50 10 KKGE CC1(C)CCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583365 JEHRMVSYCKHKCM-SVRRBLITSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cccc3ccccc23)c1Br 1924600312 PUIMMYFAMHKQTM-LBPRGKRZSA-N 539.912 7.673 50 10 KKGE CCC(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609023 QYBZNJPVEPLKAI-SCSAIBSYSA-N 505.842 6.907 50 10 KKGE C[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924614787 RBAASUMLMDJJDP-XQXXSGGOSA-N 525.926 6.675 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCOC[C@H]2C3)c1Br 2018506809 FQDHHHXQWBVTIB-ZXHVRRQWSA-N 509.883 5.898 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Cl 2025782999 LHVXLFKBTUGRHU-HIPXNAPESA-N 511.277 5.624 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CI 2065341570 HISNRFHCHAMNRT-ACUULCAZSA-N 554.673 9.257 50 10 KKGE Cl[C@H](c1ncsc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492697 QFOFRBGPQYWZLR-QMMMGPOBSA-N 604.181 7.284 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1csc(Br)c1Br 2093942281 OXQMIAZESKXWMY-JTQLQIEISA-N 537.868 6.668 50 10 KKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(Br)ccc1I 2113464696 YTVKKKZARZNLAK-LLVKDONJSA-N 518.389 6.525 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(I)ccc2Br)c1Br 2138866809 VNYXEKSMKZIQMQ-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCCC2 2141472088 ZQNYLDPBNRDXCN-UHLUBPPHSA-N 536.327 7.597 50 10 KKGE Brc1cc2c(c([C@H](Br)c3csc(Br)c3Br)c1)OCCC2 2150336342 IURPFZMMEBGKBN-NSHDSACASA-N 545.916 6.845 50 10 KKGE O=C(c1cc(I)ccc1Br)N(CCBr)Cc1cccs1 2171090158 DQGZNJRDPJYCRK-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2Cc3ccccc32)c1Br 2206398740 YJAVBXKOOQVHNQ-TVQRCGJNSA-N 588.757 7.513 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2234067351 MPZOGZRRBXNOCT-AWEZNQCLSA-N 512.673 6.957 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(I)ccc1Br 2264358620 COOIKJCTSUPXBD-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE COc1ccc([C@H](Br)c2cccc(F)c2I)c(Br)c1Cl 2283564546 ULIWWPCZWXGIMG-NSHDSACASA-N 534.388 6.339 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(I)c(Br)c1 2288372651 AKISOSPAGACXMM-GFCCVEGCSA-N 601.248 7.185 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(=O)c1ccc(OC)cc1 2297491188 QHSRPVFKMGOMGF-UHFFFAOYSA-N 510.468 5.878 50 10 KKGE CCOc1cc(C=C(C#N)c2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccc(OC)cc1 2297559945 YCPHLJVQHAGXHV-UHFFFAOYSA-N 535.419 6.749 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc2ccccc12 2313568139 RZVNNDSBWONZNJ-UHFFFAOYSA-N 596.525 6.836 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314450245 XNUNGQATODQZRH-FQEVSTJZSA-N 531.590 7.100 50 10 KKGE Clc1ccc(Br)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314451332 DNDKCWVJWAXRTN-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE CCCCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](CC)C3)ccc1OC 2314571695 KIPJIFZQZVLWCY-SFHVURJKSA-N 510.656 6.173 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314617803 BETLKEZSEBGTND-UHFFFAOYSA-N 543.627 5.906 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314618262 KHHNIWAMJPYPFS-HSZRJFAPSA-N 500.639 6.788 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314619807 FPGHOLCPZJQVJM-UHFFFAOYSA-N 547.438 6.416 50 10 KKGE CCC(=CC(=O)N[C@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321370666 MLQLRVQQGQBOIQ-XMMPIXPASA-N 516.461 5.748 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 2331305607 YNOFBMLLFAWXMA-HXUWFJFHSA-N 519.623 5.110 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1Cl 2331484734 OYCMMRHVVXXOGN-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@@H]3CCCO[C@@H]32)c1Br 2333303710 QLDBYWIKYUBDNT-LVUPCCEUSA-N 582.750 6.598 50 10 KKGE CC1(C)COC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336201709 WLRDSUTWMCBPNQ-LDWIPMOCSA-N 584.766 6.845 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655588 DFJJSKOUPWBTDH-YHAMSUFESA-N 523.416 6.708 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38676724 FMZBFBZERCNJQS-LJAQVGFWSA-N 508.961 6.499 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCCCC 38683127 YRPQDBHUIGPUAQ-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 38683949 WEPSODUACZGALQ-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C(Br)=C\c1ccccc1 53319184 GINTZFDXWHQEJK-QUCSAUPBSA-N 539.933 6.114 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 58891513 LHSBVNTUCAULQI-WYDFGVIMSA-N 525.443 5.699 50 10 KKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100443097 GGLBQNPGXYVJIL-UHFFFAOYSA-N 511.545 6.974 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337684 ALZXWFDPIWIMET-SRWDPJRNSA-N 572.734 7.785 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 101367312 DKZHRIRLUIYHQS-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1OC 101375346 CVVDRXDYABSPBU-NWHOSPGDSA-N 538.644 6.881 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 101375578 NKMHKWATWWMDIW-MGBGTMOVSA-N 570.686 6.809 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383173 XYCRUZXXYKDUBF-PMERELPUSA-N 617.883 6.884 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384249 XBGRMCHOJWQMRG-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384551 MYCOPTDPTFZXLR-NDEPHWFRSA-N 571.948 6.404 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388362 WJUWCJXEJVSVSL-JGCGQSQUSA-N 567.041 6.684 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389404 BHTFTLQHHPVKNR-KIMVNOEWSA-N 562.597 6.640 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101395939 HAOJYSYVBWUAHW-XIFFEERXSA-N 594.708 8.153 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccccc12 101397755 MLTFFQVMIUHJBR-SSEXGKCCSA-N 546.554 6.897 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101399038 VJBJDTCAERQHEX-PMERELPUSA-N 617.485 7.335 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1 102399668 CPAOCTROFKXNOA-RGEXLXHISA-N 547.430 7.160 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 102666400 NQZHCRYNJXAXDK-XCQFTPQJSA-N 523.536 5.779 50 10 KKGE CN(c1ccccc1)c1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 103726210 FBXLLTCEKUWNIA-IPBVOBEMSA-N 547.722 7.964 50 10 KKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 103889377 BPDDWERSADJXLR-WDZFZDKYSA-N 519.020 6.463 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432781 BYACKOIRJGIHFK-VGZFIIKMSA-N 647.942 8.461 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463275 CMYINAQRJRFBHT-HKBQPEDESA-N 661.925 8.726 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485411 ICOUIYNCJGCXAX-WTPASJBYSA-N 635.475 7.311 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1OCC 150485872 KJHDOVLZVJDUKD-SYVXOAKPSA-N 663.837 7.187 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Br 150496899 MEDZHIXNXALOAN-YZSQISJMSA-N 653.533 6.163 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 163743851 NPXHMVSDQKELLB-FYJGNVAPSA-N 648.328 6.441 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)c2ccc(C)cc2)cc1Br 164602820 PJTSUCKEGANTEW-ATZGPIRCSA-N 661.405 7.232 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 206180012 VREIJCBCLFSHIZ-QJOMJCCJSA-N 517.025 7.084 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2Br)ccc1I 232341420 MSDFIRYOIPTEMW-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE O=C(c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(=O)c3ccc([N+](=O)[O-])cc3)nn2-c2ccccc2)s1 253569181 MAZHNPRCCRWXQW-SHLALKERSA-N 866.988 9.724 50 10 KKGE FC(F)(F)c1ccccc1C=Nc1ccccc1SSc1ccccc1N=Cc1ccccc1C(F)(F)F 254497131 JEDPCRODIJBBRX-UHFFFAOYSA-N 560.588 10.025 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3OCc3ccccc3)cc2OCC)cc1 254555894 QEBUVWGBTRUYDT-UHFFFAOYSA-N 538.600 6.046 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 254752777 PPFZCTNJFMXXJQ-UHFFFAOYSA-N 571.655 5.568 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 256825141 QNPRMZLAAWKAPQ-UEJHVKLOSA-N 787.990 7.753 50 10 KKGE ClCc1c(Cl)ncnc1Oc1c(I)cc(Cl)cc1I 311486045 MDNMFZQHAAUYPT-UHFFFAOYSA-N 541.341 5.524 50 10 KKGE C[C@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504665251 SUVWZBGOTVFJCI-LHXZUMEBSA-N 644.178 11.128 50 10 KKGE in-vitro Cc1sc([C@H](Br)c2cc(Br)sc2Br)c(C)c1Br 724915128 OAKNXPJCWMOCPV-SECBINFHSA-N 523.935 7.198 50 10 KKGE O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238872 YHDGMOHQXIRKDC-IBGZPJMESA-N 520.882 6.738 50 10 KKGE COCCOCCOCCOc1ccccc1C(=O)N/N=C\c1ccc(C2=CS/C(=C3/SC=C(c4ccc(/C=N\NC(=O)c5ccccc5OCCOCCOCCOC)cc4)S3)S2)cc1 1082184769 FGTJKTFCJZTEPP-JYKOBWHWSA-N 973.230 8.715 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 1083853989 ATSZWLPKWDUWLO-UHFFFAOYSA-N 533.264 5.740 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccc(Cl)cc1 1083971247 RIHCUMKTAZSGJG-UHFFFAOYSA-N 539.813 6.313 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2ccccc2c1 1084210745 JIULFSJTZAEUBM-HKBQPEDESA-N 601.541 7.272 50 10 KKGE Cc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084212184 DTCXPEQQSVWKTK-UHFFFAOYSA-N 509.937 5.013 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccccc1 1084239055 GVMQTUWQYXGSER-UHFFFAOYSA-N 652.567 5.699 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccc(Br)cc1 1084416970 WPFWMCCIMRLJQI-YVLHZVERSA-N 532.221 6.889 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 1084564588 IDBNLFRIRWGUAD-UHFFFAOYSA-N 610.674 7.720 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@H](OC(=O)CCCCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536200 PZBUHTHCCFTXDY-IVVMEQPCSA-N 658.644 11.169 50 10 KKGE CCCCN(CCCC)CCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCN(CCCC)CCCC 1615944920 SGJPYJXJMUVFSP-UHFFFAOYSA-N 643.020 8.530 50 10 KKGE CCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665379 DCIQOWDTOXIBKI-FZDBBNTKSA-N 505.227 9.347 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682379 NFXSUGZMUGUEAP-VWLOTQADSA-N 545.470 7.370 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685310 HXYHWDJAFJFNCC-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688787 ATKJFWSDNBZABZ-VWLOTQADSA-N 541.479 6.604 50 10 KKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865690032 ZLWQYRJYYFQFHE-DEOSSOPVSA-N 527.452 6.358 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865695841 IAFDNJWWIPWISN-LJAQVGFWSA-N 534.660 6.784 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696148 XPYOADLPQXPIOE-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Cl)cc1 1865701217 PDHTZFGXPIIEFB-SANMLTNESA-N 511.025 6.657 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865702764 DVAOOSPTGISMOO-DEOSSOPVSA-N 547.537 5.790 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)OCc2ccccc2)c1C 1866126831 QYIQAWDQXSEBEO-XSFVSMFZSA-N 504.564 5.145 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc(C)c1-c1ccc(Br)cc1 1866128075 VUMSCIBCEOOTSC-SFQUDFHCSA-N 513.388 6.348 50 10 KKGE Cc1cccc(-n2nc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866839990 SFEMFHWAHMTACX-VWLOTQADSA-N 513.598 5.181 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@@H]3C3CCCCC3)nc(Cc3ccccc3)n2)cc1 1868207002 BZRJDQWXOMTDOI-DHUJRADRSA-N 570.766 8.550 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(N4CCCCCC4)CC3)n2)cc1 1868545553 ZQHOJOKUQVIKNV-UHFFFAOYSA-N 540.781 7.603 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 1872758159 NRZCKLLQHDSWIH-PHFYZZCHSA-N 510.015 5.943 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1sccc1I 1923071489 JBPZDOYFCSKBGR-YFKPBYRVSA-N 577.326 7.077 50 10 KKGE CC(C)CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781821 IXTRRQYFGCXMTO-VIFPVBQESA-N 512.305 7.453 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)sc2Br)c1 2028923372 IQQHCNHSUXDAQG-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE COc1ccc([C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 2042931782 UPJJNLNVJBPGLE-SSEXGKCCSA-N 633.656 5.683 50 10 KKGE Cc1oc(Oc2c(I)cc(Cl)cc2I)nc1CCl 2047632064 JUOOPMPJDVDWQR-UHFFFAOYSA-N 509.896 5.377 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=Cc3cn(-c4ccccc4)nc3-c3cccnc3)c2C)c1 2053622848 RIFBEJISOOHYCV-UHFFFAOYSA-N 585.620 5.705 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1I 2086018557 CXKHMGDBMUQAGV-SECBINFHSA-N 540.873 7.168 50 10 KKGE Brc1sc([C@@H](Br)Cc2ccccc2I)cc1C1CC1 2094668761 KCMAFYJIMCQJEN-LBPRGKRZSA-N 512.048 6.671 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(Br)cc2)c1Br 2138849238 CZLLISZDUJCPFL-CQSZACIVSA-N 511.877 6.961 50 10 KKGE C[C@@H]1CCCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470575 IHFHORYKJOICQQ-RGNHYFCHSA-N 582.794 7.999 50 10 KKGE Clc1cc2c(cc1[C@H](Br)c1csc(Br)c1Br)OCCO2 2150344955 XGOJDTIHPIOSAU-NSHDSACASA-N 503.437 6.182 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1C1CCCCCC1 2199985705 CSGAJFKTEFQWBF-KWBADKCTSA-N 505.541 7.922 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394683 IMPJXWFGWPPTFF-OKMMGKLZSA-N 564.259 7.605 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(C1)CC21CC1 2206394754 JIJIFJMVMNYSCK-SIXAUYTFSA-N 548.338 7.597 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395280 NHDZIDWFMGZLLU-LSMXRSANSA-N 608.710 7.761 50 10 KKGE FC(F)([C@H]1CCOC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399825 LXFQNZVNVXCVIH-ULHQUTTKSA-N 606.719 6.844 50 10 KKGE FCC12CC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206403192 XOIQFCASHLYRSU-HIFPTAJRSA-N 600.740 6.691 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2207260780 HRUBYUGPKOHKOA-CQSZACIVSA-N 550.843 6.806 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225632465 CDFXDWPRBSAATP-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Fc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(I)c1 2229153506 TZTORUCQRDJZQE-LBPRGKRZSA-N 518.389 6.525 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(C)ccc1I 2241001759 QUZCHXJVGKFOFL-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CCCCC23CC3)c1Br 2264961138 KNKGSAAXBKLZCH-IUCAKERBSA-N 535.965 7.832 50 10 KKGE C=CC[C@@]1(CBr)CCCCN1c1ncc(I)cc1Br 2272105291 GOCKMYFDTREGBT-AWEZNQCLSA-N 500.016 5.149 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCc1ccccc1 2296048008 CKWIFVDVJKCQGD-UHFFFAOYSA-N 571.452 7.331 50 10 KKGE Cc1cccn2c(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)c(-c3ccccc3)nc12 2296790934 OEEQTSYEHJOHCO-HSZRJFAPSA-N 565.699 5.705 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 2313630873 GVQPHNGCAJJXHX-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314414815 NKKIGUTUZQCSRD-UHFFFAOYSA-N 527.024 5.831 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C[C@H](C)O1 2314433122 JYIZKZHGTMQKMH-VXKWHMMOSA-N 592.681 5.050 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CCCC2 2314571735 LCGBYXWFOHGJKG-UHFFFAOYSA-N 505.552 5.826 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591956 IMRIBLHVMGKONI-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592415 SWRZGZACGOBEJU-RUZDIDTESA-N 518.038 6.112 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593127 HWUGKKJENZQXRR-DWXRJYCRSA-N 600.062 7.061 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314611076 PWOYISXPGMCPMN-UHFFFAOYSA-N 564.730 7.445 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314640743 VGKINCKQQYXJHM-YTTGMZPUSA-N 532.571 6.550 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643335 SJLYHIVNLSIXQZ-PSXMRANNSA-N 600.715 7.717 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1cc(Br)cc(Br)c1)C(=O)OC(C)(C)C 2315462599 IFICGSITJXMARW-GOSISDBHSA-N 544.122 6.139 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccc(Cl)cc2I)CC1 2317808898 FFPTYEIHBZZFQA-UHFFFAOYSA-N 544.655 5.626 50 10 KKGE BrCC(CBr)(Cc1ccc(I)c(Br)c1)C1CCC1 2325174633 YHQZHPZLLBPYEW-UHFFFAOYSA-N 550.898 6.173 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699388 OJPJXCLXUCYHRE-UHFFFAOYSA-N 509.425 6.462 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699410 RACOWLSMSSJRDY-UHFFFAOYSA-N 560.267 6.662 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331312362 MUSRAIKAIORWDE-UHFFFAOYSA-N 515.034 7.866 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)cc3)n2)c(OC)cc1Cl 2331471199 VGZJAZRPVCLAEI-UHFFFAOYSA-N 502.979 6.764 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2333303653 NVXCNKPVNWZNMG-FITKCZHHSA-N 538.299 6.584 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336039466 XBELSEPQMGCQIR-NRFANRHFSA-N 515.072 8.081 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2338705381 MZTKZSWKTUFJDY-QMMMGPOBSA-N 540.250 5.984 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc(Cl)c1Cl 2339055382 WXMNOZMHMZDBBI-HXUWFJFHSA-N 515.072 8.128 50 10 KKGE Clc1ccc(I)cc1CO[C@@H](CBr)c1cccc(Br)c1 2380345740 FAPBAKXQHUZSDE-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE Cc1cc(I)ccc1NC(=O)CCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 3658272 OMUFGISVBKAOFF-LQKURTRISA-N 535.385 5.775 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642262 OHYMOZSNLMECAS-UHFFFAOYSA-N 511.416 5.381 50 10 KKGE CCCCN1C(=O)N[C@H](c2cccc(NC(=O)C(C)(C)CCl)c2)C(C(=O)OCC)=C1c1ccccc1 35710768 RKQBQAALYODXSM-HSZRJFAPSA-N 512.050 5.731 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCC(C)C 38684148 AVKPZCOTFNQJLX-NDEPHWFRSA-N 518.541 5.072 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1OC 38688641 GIJVJENYPROWHB-DEOSSOPVSA-N 516.937 5.849 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)c(C)c2c1 38701143 WCKXSEACZIIVLR-GDLZYMKVSA-N 522.601 6.912 50 10 KKGE Cc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 100130055 OISPPCWCVSKOSI-DPNNOFEESA-N 617.986 6.438 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 100186715 KBWGHDKXLNSKHM-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 100231915 BRGQAMSDMZFFBN-GELAAVBKSA-N 555.425 5.119 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 100238187 YNVIHOBIXWRHOL-QGFINPQDSA-N 537.056 6.019 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 100452550 NTAMAQIUWADPDW-IPYFEQEDSA-N 546.805 5.554 50 10 KKGE CCCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935483 CWIWACROUMGRDD-WDJPJFJCSA-N 617.172 6.998 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246287 HECFKVKLGCOXAY-IDJUBOEBSA-N 586.035 7.131 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101341555 XVJHLPPVZHFCCO-RDRPBHBLSA-N 596.684 5.055 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(Br)c1 101363456 FVLUPJSUIOJUBJ-NRFANRHFSA-N 526.184 5.649 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383343 GGAZQKUBCGZWRX-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 101387598 ISPHFFWVHPYGQP-YTTGMZPUSA-N 617.485 6.956 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387747 UEQJWGSXBWHFJI-HKBQPEDESA-N 601.486 7.717 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)ccc6c5C)ccc43)c2)cc1 101398223 ZSHZLRAWMVWLRY-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405765 NAOYFRMDSKBXPH-PKIWBCANSA-N 553.423 5.170 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 101479319 KMTWZNFFFHXXMV-UHFFFAOYSA-N 578.114 7.597 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 101728908 BQEUUOJUJWJSDM-KOEQRZSOSA-N 548.551 5.186 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 102934499 GZVDATFRIVMKTG-ODLFYWEKSA-N 569.355 5.641 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103880278 AYVHCPPAYYXUBC-IPPBACCNSA-N 613.262 6.937 50 10 KKGE BrCC(CBr)(Cc1ccc(I)cc1)c1ccc(Br)cc1 118878452 ICWHPVGOAZSBDK-UHFFFAOYSA-N 572.904 6.324 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430664 RXBMFXDEFIPCOX-GDLZYMKVSA-N 677.993 9.277 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC 150480690 BBOALOVSIPYUJZ-PMERELPUSA-N 633.484 7.036 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 150484315 BKMCECWQNCRSNZ-WJOKGBTCSA-N 631.454 6.378 50 10 KKGE Cl[C@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155254296 NYXRIHUUSDBFND-STQMWFEESA-N 628.457 6.209 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN/C=C1/C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C(=O)c2ccccc21 158643880 DYOMMFOCLFJHHQ-DFKUXCBWSA-N 662.699 5.521 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)c1 164629694 SCGCWCFXNGNFMP-UVHMKAGCSA-N 636.227 6.293 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc(I)cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 195808667 YEHMGENHDZLQDN-ZTYYLEJISA-N 656.512 7.549 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205670049 CEKNKDPSESCDQD-QAPUWNMDSA-N 614.742 8.107 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214345262 SUAAKXYSRINVEU-IMRQLAEWSA-N 544.611 5.391 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(Br)c1 234979408 KTJGOSMQZGNGIA-CQSZACIVSA-N 516.398 6.153 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)cc1Br 235823862 VMKLLRYUHZRVEU-CQSZACIVSA-N 579.295 7.215 50 10 KKGE O=C(CNc1ccc(I)cc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253564141 GERAPVJXSFLAEJ-TVKQRKNISA-N 545.424 6.133 50 10 KKGE CCN(CC)c1c(/C=N/NC(=O)CCCSc2nc3ccccc3s2)c(C)nn1-c1ccccc1 253573845 RWZGGWCOXPABEN-OVVQPSECSA-N 506.701 5.659 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COCC(=O)NN=Cc2ccc(OCCCCCC)cc2)cc1 254288307 CWXCYNBMMUGPCB-UHFFFAOYSA-N 538.689 5.222 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(C)cc3)ccc21 254348478 KIPMLUYUGPMVAW-UHFFFAOYSA-N 544.684 6.613 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254838269 JGAOASHQFZZZNK-UHFFFAOYSA-N 593.661 5.941 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1c(F)cccc1Cl 256028611 YBBJBKDPILTPMC-UHFFFAOYSA-N 557.072 6.218 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(I)c(Cl)c2)c1Br 312385505 NUKQPTSSERTJCD-VIFPVBQESA-N 560.398 7.272 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(Br)cc2)cc1 1083932434 GCPVUVOBNHSWKA-UHFFFAOYSA-N 658.416 6.273 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl 1083957401 QNNMDENSVSFYHM-UHFFFAOYSA-N 642.981 8.610 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084039367 UASKNSNBWRVMEG-RUZDIDTESA-N 552.425 5.629 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084160153 MJYIIBCWTBLJPM-DJKKODMXSA-N 521.367 5.620 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084175892 YDFOEWHCSDUCIW-UHFFFAOYSA-N 746.294 7.996 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084277135 QKOOSQDXXUYKKV-UHFFFAOYSA-N 564.689 6.346 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1 1084289331 FVTATCWEKQUOAK-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084378518 ARZKSBGJCKRMPR-UHFFFAOYSA-N 645.565 5.772 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 1084494796 RRFROCKTLRMWDL-UHFFFAOYSA-N 722.986 8.212 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3Cl)cc2Br)cc1 1084654617 CHKRJMDRCCPJOG-VWLOTQADSA-N 589.914 6.443 50 10 KKGE CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614987423 DKITXMAGJGKRLG-WXVJJHKYSA-N 548.924 5.529 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682562 RNOTVGSYJXGMCY-AREMUKBSSA-N 508.597 6.262 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865689871 FKCMCSLLJJHCBT-LJAQVGFWSA-N 518.661 7.002 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc(Cl)c1 1865692240 DPIPVWFIIDJXRE-GOSISDBHSA-N 504.896 5.560 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865694805 CAOUPTVUOGRUHQ-WJOKGBTCSA-N 554.650 6.713 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865694988 HFWQGLXUCMBPOI-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865694989 HFWQGLXUCMBPOI-VWLOTQADSA-N 507.034 6.274 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1C 1865702965 JNVAFTOLUDJSIY-YTTGMZPUSA-N 542.639 6.838 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865709301 UARLAURZYRQLOV-WJOKGBTCSA-N 565.674 5.588 50 10 KKGE CSCC[C@@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867203011 YSIGJUSBDHBXNO-FCHUYYIVSA-N 534.545 6.029 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Br 1867212170 VPRPVYAZIBWVOZ-OZXSUGGESA-N 566.521 6.657 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4ccccc4OC)CC3)n2)c1 1868505535 HPFRGQCXYLVXGA-UHFFFAOYSA-N 566.731 6.232 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)nc(-c3cccnc3)n2)cc1 1868565855 OQRFQDFUAPIHNQ-VWLOTQADSA-N 512.642 7.333 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 1872755010 UMKFFVXTNBVNAH-YIJYBQTRSA-N 510.015 5.883 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755461 OSXQXNINYXMRKU-HFBCPUAESA-N 521.620 5.038 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(I)c(Br)c1 1904374793 XNIVEHHCPXZBSK-MRXNPFEDSA-N 610.068 5.289 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915094115 DCSMULINHUCKRW-CYBMUJFWSA-N 540.115 5.576 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915329946 WNKFWRXMXAHVGP-MRXNPFEDSA-N 527.166 6.131 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)sc1Br 1923048078 FGHZSWDDAKYGFM-ZCFIWIBFSA-N 544.353 7.543 50 10 KKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924585055 GTEIVRDLKFVISR-NRPADANISA-N 523.954 7.688 50 10 KKGE Cl[C@H](c1occc1Br)c1c(Br)sc(Br)c1Br 1924609076 RSWRILSWOBMEJL-LURJTMIESA-N 514.258 6.719 50 10 KKGE O=C(NNC=C1C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1sc2ccccc2c1Cl 2040441766 LZHFEVZAHJJWRQ-UHFFFAOYSA-N 508.386 5.671 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCC[C@H]21 2085494393 LOLAZLZTNOBEOX-ZTWFDIKUSA-N 522.300 7.063 50 10 KKGE O=S1(=O)CC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495959 UKNVKCFQKLBTRU-QUBYGPBYSA-N 546.300 5.204 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2csnc2Br)c1Br 2085499524 UBPPZORNCWLWDK-ZETCQYMHSA-N 648.632 7.440 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3sccc3I)cc(Br)c2O1 2090468632 XTIGEIKZRHULEZ-MADCSZMMSA-N 514.020 5.923 50 10 KKGE Clc1c(Br)ccc(CBr)c1Oc1ccc(Br)cc1Br 2098115473 BILXSKLGLZPHAR-UHFFFAOYSA-N 534.267 7.315 50 10 KKGE FC1(F)C[C@]12CC[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2099916674 UZULEIPSAXNUBB-RFXQIHQISA-N 543.891 7.297 50 10 KKGE CC1(C)CO[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141470406 GVARVJJCXCKSML-PRHODGIISA-N 540.315 6.832 50 10 KKGE CCCOc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1Br 2150344265 GWIGEWVHFZTSQK-GFCCVEGCSA-N 547.932 7.309 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2166116790 CDJKPCHJMLPBQD-XHSYRHOGSA-N 505.541 7.922 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(I)c(Cl)c2)c1Br 2201081007 BYWTYUKANPCUFC-OAHLLOKOSA-N 593.322 7.571 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2206406430 ZVTQYTSLXDWHDF-LUYFLQJWSA-N 554.342 7.076 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(Br)c1Br 2218808831 CPXDSTVBSKXZHN-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE C[C@@H]1CC[C@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2230061829 MNOFRHNMSVPPHE-VGMNWLOBSA-N 537.981 7.513 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 2232091217 DEPDHFJSVCMNTF-VIFPVBQESA-N 509.872 7.026 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508147 BOHOGVWVFJKSNE-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2232508799 HEKLCGUNGSEOIE-LLVKDONJSA-N 573.252 7.637 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 2235613331 WVSZPYAKGYNSLU-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1ccc(Br)cc1Cl 2237459056 WRMVWDSJABSSMB-ZDUSSCGKSA-N 505.834 7.289 50 10 KKGE Brc1cccc(Br)c1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238064303 XSGHXAIESUZUOH-HNNXBMFYSA-N 525.860 6.393 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2295356555 CFRNHWCDSNQZKW-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295459584 AVDGOBMRVIIJBO-UHFFFAOYSA-N 525.741 7.790 50 10 KKGE O=C(NN=Cc1cc(N=Nc2cccc(Br)c2)ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482927 BXLIYNIQKIURKS-UHFFFAOYSA-N 612.440 6.220 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2C)cc1 2296070827 YBKAXPKZTCDZRV-QHCPKHFHSA-N 522.457 6.675 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2296507033 PYYZVHGPAVZYQJ-RUZDIDTESA-N 525.630 5.545 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296540249 GQAWXHXQZWYXCX-UHFFFAOYSA-N 504.011 6.318 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OCCOC)c1C 2296790058 LJLDZIMHNLOJAX-UHFFFAOYSA-N 515.588 5.276 50 10 KKGE COc1ccc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)[nH]c2c1 2297371306 UGTJVTUFTLTYHI-UHFFFAOYSA-N 503.356 5.416 50 10 KKGE O=C(CC(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)[C@@H]1C=CC=CC1 2297468400 RHAACQCPGMLCSD-ODEQYEIHSA-N 814.990 12.050 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313567856 MLBUTHQPKBZBNR-UHFFFAOYSA-N 501.797 7.089 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313570690 DDPVPGQRKSFHME-UHFFFAOYSA-N 577.218 6.797 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 2313724680 SWPCSLVKSHSACX-UHFFFAOYSA-N 511.803 5.913 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)cc2)cc1 2314415146 YZHJLENUSIKDTC-UHFFFAOYSA-N 507.597 7.367 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314450331 YDPBRZCERAMBMG-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593946 WHPCDUNSENHWIR-AVRWGWEMSA-N 518.038 5.652 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314616458 AXXOXVJZQWRWGO-UHFFFAOYSA-N 604.710 7.528 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 2314634039 FKZHOZDPSJXQEZ-DEOSSOPVSA-N 508.317 5.739 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634695 ASPXJIIJTFITNG-MUUNZHRXSA-N 500.982 6.356 50 10 KKGE ClCc1nc(Oc2cc(Br)cc(I)c2)ncc1Br 2316721026 GLERHJZSKUIQEC-UHFFFAOYSA-N 504.347 5.137 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 2321721464 LBFZZDRODOOCJW-FQEVSTJZSA-N 516.038 5.415 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331276376 ODNWRRCUIBVDQA-VWLOTQADSA-N 507.571 5.519 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331416754 JNKFODRHWWONTP-UHFFFAOYSA-N 519.464 7.977 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1C[C@@H](Br)C12CCCC2 2341839645 WGEWANLJOUFXNV-ZIAGYGMSSA-N 500.012 5.667 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1sc(C)c(Br)c1C 2365234882 YZUZQAQGMGVRMQ-GFCCVEGCSA-N 505.472 7.428 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 13581602 FDZIQSNIVORCHG-GDJOMKKCSA-N 510.018 6.558 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)cc1 38659570 QIVXWFSBUOZUHW-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1 39858630 UZIFJZHXMIHPGN-AQTBWJFISA-N 515.367 5.412 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)n1 40822088 XCUXBIUFLKLROR-STBIYBPSSA-N 501.370 5.086 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 59433120 JECJFHPKGYJATR-XSFVSMFZSA-N 507.384 5.981 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 100060890 YLAKWHCKPVXOGA-JEPNHJGPSA-N 556.695 6.778 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 100235724 LIJIBRILKYUEGO-LUHMOWLYSA-N 614.751 7.351 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC1CCCCC1 101014370 GVPWXRPABYECTQ-QQTULTPQSA-N 557.720 5.460 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101244001 MDGHTAOWJJHQAL-WWTUHYLUSA-N 565.617 6.408 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 101286644 UQAVKQUXQFGXJC-TURZUDJPSA-N 536.632 5.431 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101293390 DEVRAYIVQRVEQT-JGCGQSQUSA-N 578.596 6.415 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101333323 AYRZONYWERQOEZ-NJZRLIGZSA-N 556.666 6.901 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 101363646 BIOUQRBDCUKBNU-NDEPHWFRSA-N 537.413 6.405 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(Br)cc1 101363913 BKQGBXFRJOBTQS-QGZVFWFLSA-N 567.264 5.347 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 101372296 VZFRRXAUGYDUKU-JGCGQSQUSA-N 556.659 6.474 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5[N+](=O)[O-])ccc43)cc2)cc1 101378625 MWLSEILOBGJSEF-GDLZYMKVSA-N 533.540 5.920 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101383070 OTTHOERJPBHJEY-PMERELPUSA-N 557.433 6.939 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384103 OWYBLZVNLGEODK-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387241 ANXYTVIFHQVWLE-RQZFFVEVSA-N 584.575 6.143 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c1 101389604 UDJRRFLGZYKJHX-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)sc2c1 101391932 DEICJCODPNGSMY-JOCHJYFZSA-N 541.843 7.607 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cc(C)c(C)cc1C 101758731 HLXIIJQRYYXPSH-OKCVXOCRSA-N 546.718 6.350 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 102393551 IOSXXIFARUTNNZ-ATVHPVEESA-N 577.243 5.894 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102772205 YDYXGQMPJQRNPF-YDYXIROLSA-N 536.426 5.962 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 105151301 VTKDUQKVSYUSJM-BSAWEUQCSA-N 561.111 5.940 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)sc2Br)cc1OC 109870085 LLVNFCGJTSAKGC-ZDUSSCGKSA-N 501.034 5.783 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)cc1 150410939 CNLLVQWQMYRMKU-INQTWUCUSA-N 632.742 5.390 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 150411066 LUYBCDIXJFOGDB-DXMZMKEOSA-N 731.230 6.697 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411401 RNWQYBPLUFQZSF-XRWMEBAZSA-N 701.204 6.688 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1Br 164003249 BFBMVLOXHSLOPO-GKTLAHRSSA-N 652.428 6.730 50 10 KKGE COC(=O)CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O[C@@H]2CCCCO2)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196880919 NNCUXEYCPYHOSU-QBHQJIKYSA-N 594.865 5.761 50 10 KKGE C[C@H]([C@H]1CCC[C@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)P(C1CCCCC1)C1CCCCC1 201336445 BLYORWLXGDDPCI-LHHKSOOASA-N 750.629 12.899 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 234842204 LNJJLIDBQQTODW-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)c(C)cc1Br 235857608 CALVYJFTIYVJHS-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1cc(Br)cc2c1OCC2 236039596 ULNHDCIZNMPPRG-CQSZACIVSA-N 528.409 6.079 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=C(C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccccc1 254700732 XUEIBFJSZSLIFT-UHFFFAOYSA-N 507.656 5.141 50 10 KKGE CCCOc1cccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4sccc4C)cc3)c3ccccc3n2)c1 254759867 XQEISFSIKDFXCV-UHFFFAOYSA-N 562.695 7.467 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccccc2Br)CC1 303741436 NDVZYDNLBRBQFD-UHFFFAOYSA-N 510.210 5.170 50 10 KKGE O=C(OC[C@@H]1O[C@@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 616586762 RITGYQZMPNVVEG-SIMGMAISSA-N 637.666 5.348 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)s1 721589032 RCZJQHRFUDNAHK-NSHDSACASA-N 506.428 6.514 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 721614412 OYQBNYNSQUGRHW-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 725422758 HIGRUDXMTBIWDC-SANMLTNESA-N 521.455 6.029 50 10 KKGE COc1cc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OS(=O)(=O)c1cc(C)ccc1C 886005246 FMICXFXZPMICJZ-UHFFFAOYSA-N 510.656 5.136 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1Cl 1083911824 NJZBFPFWWRZYNL-MHZLTWQESA-N 585.926 6.773 50 10 KKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C)cc1C 1084162933 XXXKLHOPFZEUEU-UHFFFAOYSA-N 564.753 7.615 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 1084174462 MJHROXDFJIYFQO-NDEPHWFRSA-N 561.476 6.544 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1C 1084202030 TVDXROZHVLSFGF-UHFFFAOYSA-N 580.979 8.183 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2-c2ccccc2)cc1 1084241696 ALWULQYLMCNWAM-PGUFJCEWSA-N 615.730 7.351 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084288472 UDJRIEKSKXOMDC-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 1084315422 DOLDKHWWCAGKRG-UHFFFAOYSA-N 579.078 5.030 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C)cc1 1084347482 ONFXUDUCLVGFQO-UHFFFAOYSA-N 586.280 7.008 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084399093 VMANVDDRYXXPHA-UHFFFAOYSA-N 623.562 6.598 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1 1084475033 QSYJTJGJMXSHEK-SFHVURJKSA-N 518.908 6.758 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084558621 VPHCMFMMFDTCST-DEOSSOPVSA-N 541.988 5.198 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084636211 QNFIQPMXFBSZEP-UHFFFAOYSA-N 629.110 5.258 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CO)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773636 WBUHPAHBCMHESO-BQJNIERGSA-N 575.039 9.815 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744419 DAWKKWVIIJJFRB-UHFFFAOYSA-N 509.541 6.865 50 10 KKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772748578 LTYHCZZCXGGXSF-UHFFFAOYSA-N 507.590 5.838 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OCC 1865688276 OJECIOATJGHHMB-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865689762 VWTGWUAKXBMSCZ-HKBQPEDESA-N 534.660 6.361 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691759 AGISARZNSMBMTH-NDEPHWFRSA-N 560.610 5.945 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865692213 CMFOABNUESLHLJ-VWLOTQADSA-N 545.014 6.406 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1O 1865695924 JBYNAALWXWSPGH-OAHLLOKOSA-N 541.711 5.239 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 1865701141 MWNLUNHQTUFINF-MHZLTWQESA-N 530.987 5.838 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703345 UKZLNTUPBVAHOA-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc(Cl)c1O 1865706710 CZBJZVMMUXZMBG-HNNXBMFYSA-N 541.711 5.239 50 10 KKGE CCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034532 RVTCYCKLWWRNIG-NHCUHLMSSA-N 542.459 5.159 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867088867 DFLOMALVTONIQD-HKBQPEDESA-N 588.689 5.719 50 10 KKGE CC1(C)CO[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2001537971 ZGCGLVBFMGNKBR-FSPLSTOPSA-N 511.899 6.287 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)s2)c1Br 2081071240 MWEHXPFMSUJDIF-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE FCCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085493621 DVDSVJQPNAPBHB-NSHDSACASA-N 528.279 7.156 50 10 KKGE CCC(C)(CC)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495465 QJESFUDEMAIAFD-GFCCVEGCSA-N 526.332 7.843 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cnn(C)c2I)c1Br 2136380174 RXRGRBUJBTTZLO-LBPRGKRZSA-N 518.418 5.495 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 2137656192 OWOQMUFJAXPAEH-CQSZACIVSA-N 534.844 7.106 50 10 KKGE BrCC(CBr)(Cc1cc(Br)ccc1Br)C1CCCCC1 2175153276 WERKHPULLAGGEU-UHFFFAOYSA-N 531.952 7.111 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206397646 LNPSLQVENPWUGH-DTWKUNHWSA-N 598.837 8.635 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2206398277 SQFOLOLUYXYGCI-RAPRUERJSA-N 597.809 6.951 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206409096 NLBCTRWYLBGKSV-ZDUSSCGKSA-N 658.191 7.978 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2213747141 TXYPHOYIDUSFGC-ZETCQYMHSA-N 588.804 7.652 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)c(C)c1Cl 2232528400 HRKQRDVYVNHLHK-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2sccc2I)cc1Br 2278033550 HVKGNOSZHUNNFS-GFCCVEGCSA-N 518.008 5.617 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1Cl 2283564239 WQBMFWMPEZHYAN-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE Fc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)ccc1Br 2288495199 QJPOEBQBXCHUNL-NSHDSACASA-N 537.793 6.876 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc(F)c1 2295187830 YYFGLKZHZSRNOA-UHFFFAOYSA-N 518.850 6.271 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(C)sc1Br 2295265697 UQYNWVLNXPCTKL-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@H](C)C2 2296500536 WLIGUPMRTXETTH-AWEZNQCLSA-N 529.445 7.162 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790102 OXAZGRDDIDUAAD-GOSISDBHSA-N 509.672 7.315 50 10 KKGE COc1ccc2nc(Cl)c(C=C(C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)cc2c1 2297315588 GLMPTNXYEHMYNO-UHFFFAOYSA-N 550.821 6.953 50 10 KKGE Cc1ccc(C(=O)NC(=CSc2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297498007 YLEFXGNZGGJEIB-UHFFFAOYSA-O 565.098 7.964 50 10 KKGE Fc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1Br 2300953802 OIBCUZKKSVTBPV-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE COc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)ccc1Cl 2313548870 HRXQNOROHBQXBL-UHFFFAOYSA-N 558.034 7.530 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1 2313570964 KHEFRPPXGPYUSC-UHFFFAOYSA-N 642.118 7.794 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 2313730220 HGRNHZMTMYYDLI-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE Cc1cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314445319 QSLAXBCLEFLYND-OAQYLSRUSA-N 527.627 7.269 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314488250 MTVGIMACEVKHLP-UHFFFAOYSA-N 500.919 6.592 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 2314533277 PXBMIEZWBWVKFU-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591911 HOTLZIWHHDJZFS-RUZDIDTESA-N 502.039 6.330 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592038 KLBZZWDSFFYIDM-DEOSSOPVSA-N 537.563 6.169 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)cc1OCC 2314807866 DWKXKVATPGGDDB-UHFFFAOYSA-N 508.615 5.243 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)nc2c1 2331046477 FEXYYRWJMBBZOL-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331239015 LMDBQZGEYTUDGA-UHFFFAOYSA-N 516.376 5.815 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331349314 JXLFRMBWTZYWIT-UHFFFAOYSA-N 501.608 6.070 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1F 2331455926 WVGTUGBSHYTZGP-UHFFFAOYSA-N 510.182 6.253 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)c1Br 2337104192 MYPYKKREWNRUJX-SECBINFHSA-N 621.183 8.075 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc2sc(Br)cc2s1 2338693728 OJQUJGGHTWBOLU-MRVPVSSYSA-N 549.933 6.468 50 10 KKGE Fc1cc(Br)cc(Oc2cc(Br)cc(Br)c2)c1CBr 2338864834 GBJCYRDOXVHYDQ-UHFFFAOYSA-N 517.812 6.800 50 10 KKGE Brc1cc(Br)cc(CO[C@H](CI)c2ccccc2Br)c1 2362248013 OXSGNAIMNVZZFS-OAHLLOKOSA-N 574.876 6.667 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCC2CCC(C(F)(F)F)CC2)CC1 2381558663 QZLOTLFLZMNUCT-UHFFFAOYSA-N 505.359 5.576 50 10 KKGE CC(C)CCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14033736 IQUZONUGZOWNEL-UHFFFAOYSA-N 501.627 5.736 50 10 KKGE N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccc(OCc2cccc3ccccc23)cc1 20533992 NFENNRFMPNAQBH-SSEXGKCCSA-N 520.592 7.180 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 33378973 ASAOZZZOFKADRL-MOHJPFBDSA-N 527.024 5.831 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38650732 FJORMFQVALGURF-HKBQPEDESA-N 516.597 6.431 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655461 IUDPODDDXZTRCU-VWLOTQADSA-N 509.389 6.466 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38684286 NSJWPKBMCXNWEE-GDLZYMKVSA-N 512.606 6.400 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 38686318 XIWHBMCKDIQORV-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701089 WHSVXSJXSVGHCB-MUUNZHRXSA-N 506.558 6.306 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812842 YOCIMZDCUWKTDE-MTDXEUNCSA-N 510.388 5.390 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 100236774 XRKPBEDEWILADT-CCWCOGDNSA-N 526.420 5.807 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1 100239043 ROHLEKYOZOMKDV-PFQJNYNCSA-N 558.416 5.233 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 100452449 HROIVUGCHUOJFM-OADPBGPJSA-N 580.704 6.408 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101337517 IMTWDTDKFUUWNW-PRXCBEBOSA-N 570.693 7.318 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C2=O)cc1 101339938 RAPSJFLOJWMJTF-UXHLAJHPSA-N 558.638 6.128 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362624 XFDBWZKBLSFSDD-NHRFMIRVSA-N 560.650 6.980 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1 101367472 KCHWLKNXGBDLAM-XIFFEERXSA-N 562.622 6.094 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101367920 JNNGBFYODDPRGI-PMERELPUSA-N 540.660 6.999 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101368368 FJWSHMAKSOOSAO-XIFFEERXSA-N 548.639 6.640 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101370675 NQNAVYVECQBFLE-AREMUKBSSA-N 569.441 6.627 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 101376258 NXJSIYWSBBPMGE-SANMLTNESA-N 533.422 6.455 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(F)cc5)ccc43)cc2)cc1 101378497 ZPOIAZXKAITYEV-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385501 BTKDZQMXAOVVTR-JGCGQSQUSA-N 532.596 5.949 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387654 RLOPAHHEELKHSD-HKBQPEDESA-N 567.041 7.064 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)c1 101389106 YQTJWDJPGBZIPX-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)ccc6c5C)ccc43)cc2)cc1 101397427 UMBDNUNFQDBWCW-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399829 XYXHSQNGJHUQDU-AJQTZOPKSA-N 594.595 5.767 50 10 KKGE COc1cc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc(Br)c1O 101415111 DHFVKRIDDDOKAF-HNNXBMFYSA-N 551.260 5.145 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(CSCc2ccco2)c1 103590769 OHGLQOMYKLLPHU-FYJGNVAPSA-N 544.654 6.782 50 10 KKGE N#C/C(=C\c1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1)c1nc(-c2ccc(F)cc2)cs1 103632912 IQPQCPADHKVDID-RNIAWFEPSA-N 534.616 8.340 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 103887227 QHLVHMCEXLZGSJ-UNOMPAQXSA-N 573.228 6.487 50 10 KKGE O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105062796 JCLIMIUVJYYMRB-KPGMTVGESA-N 553.829 7.209 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1 150383005 CKNGKJVAQBFOMB-RJNBOEKGSA-N 640.259 5.439 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1 150428693 QOFNWFWHDHKTBU-DOCWCXJCSA-N 651.339 6.304 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1Cl 150441944 KWOWFOHUOZORBK-JGCGQSQUSA-N 643.092 6.781 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 164614961 WAPYTSIBOYXINI-VPUKRXIYSA-N 674.116 7.458 50 10 KKGE Brc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 232482793 KKQJAADYGKAKEO-LLVKDONJSA-N 536.852 6.362 50 10 KKGE BrCc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 232484740 CWVHFZNDUNKOMB-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1Br 233818956 HKJPZJRODIRLRB-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(F)cc1I 234915327 XBLYAARKQDKZKV-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Cc1c(C=NNC(=O)[C@@H](NC(=O)Cc2cccs2)C(C)C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 252615840 JVVXPNPRHQEFJJ-MHZLTWQESA-N 555.531 6.200 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 253530294 YAHXNVGUCZQYAB-LNANZDKOSA-N 535.651 9.113 50 10 KKGE biogenic O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254491196 OBNYDROBKFKSAB-UHFFFAOYSA-N 632.673 5.276 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2OC)cc1 254500317 UUGRMVFQTHJEJV-UHFFFAOYSA-N 601.681 5.658 50 10 KKGE Cc1ccc(-n2c(N=C(C(Cl)Cl)N3CCOCC3)nc(S(=O)(=O)c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1 254708461 HAQUQSOPFPKELA-UHFFFAOYSA-N 633.579 5.012 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308414199 KGMRGHFSCDBMHJ-OAHLLOKOSA-N 525.860 6.393 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504472769 FRORSYDIKBYDEQ-LYLDMPFRSA-N 505.227 9.635 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616683896 JRDWPYWRRAAGTB-AREMUKBSSA-N 512.887 8.203 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1 725432015 OPQZCDFKUMXYPC-QFIPXVFZSA-N 637.268 5.295 50 10 KKGE CC(C)[C@@H](C)/C=C\[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@]34C=C[C@]5(C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@]3(C)CC[C@]12C)OO4 725439545 IAFGRXRTUBXMRK-DJYKVEEESA-N 618.852 5.078 50 10 KKGE C[Si](C)(C)O[C@H](C=O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1 1082160064 RZLYPFAIICGJHB-MIPYOGIXSA-N 520.698 5.361 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1083888505 MCRSHPBABJKOSE-JVKRNHJYSA-N 587.167 7.879 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 1083948513 SERAQTHHBSHOJM-UHFFFAOYSA-N 623.087 5.572 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)CC(=O)NN=C1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 1083952269 LHMLAZXXRXFKSK-RUPYJXSXSA-N 636.837 6.845 50 10 KKGE CCCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OCCC)c1 1083956707 RYGUXEXEDLNRCT-UHFFFAOYSA-N 505.453 5.988 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084205521 HXGBRZWFRSVENG-SSEXGKCCSA-N 577.537 6.939 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 1084312678 MJBFEWAEWWSLQZ-MUUNZHRXSA-N 514.582 5.269 50 10 KKGE COc1c(Br)cc(C=NNC(=O)CCCCCCCCCCC(=O)NN=Cc2cc(Br)c(OC)c(Br)c2)cc1Br 1084343147 YFBGJWZEKDPRQZ-UHFFFAOYSA-N 810.220 8.255 50 10 KKGE O=C(CSCc1ccccc1Cl)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084391708 WINFWZQLOSVZQM-UHFFFAOYSA-N 500.920 5.332 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cccs1 1084392417 IXVPROKYXLGMHC-UHFFFAOYSA-N 622.653 5.954 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Cl)c2C)c1 1084582690 INZRXSRGLGZYIM-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745986 NCDLBHPAKIDHQE-UHFFFAOYSA-N 502.310 5.493 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C\[C@@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848433046 OFDIKJKJPJTORF-ONSUILBUSA-N 705.251 11.282 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848433549 FZTPBALCQSLXDA-XICKGGGUSA-N 769.218 10.984 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688501 UAQKMGBVLQJLRA-QHCPKHFHSA-N 577.866 6.337 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688571 VIGFXFZZZQGQJF-SSEXGKCCSA-N 571.637 5.791 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OCC 1865691318 PIHQQRQRZARORR-HHHXNRCGSA-N 557.050 6.607 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694756 AXAUHFHGUXXHMB-AREMUKBSSA-N 551.861 6.997 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCCCc1ccccc1 1865697352 QIVZFHMOZXHEQN-HKBQPEDESA-N 534.660 6.095 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)c1 1865703025 LAXBRKMOAUNIGK-SANMLTNESA-N 544.577 6.673 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OC(=O)c1ccccc1 1865704947 IOMPLGXMUKUYHY-SANMLTNESA-N 520.589 5.652 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706139 OQVLIQAUXDCRKY-OAQYLSRUSA-N 504.333 5.972 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866737155 BTBUVFKGZQARRV-CLJLJLNGSA-N 507.606 6.034 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867052751 HKIYUPVHQCNIFT-DEOSSOPVSA-N 531.638 5.216 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 1872747800 UKUDUWDFCKKUBA-BZZOAKBMSA-N 508.559 5.350 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872748378 VGXYFRPRVLMVBQ-MNDPQUGUSA-N 510.240 7.531 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Cl)ccc1I 1924040239 OSEAAKABPIYUFG-XLKFXECMSA-N 515.414 6.342 50 10 KKGE Cl[C@@H](c1cnsc1)c1c(Br)c(Br)cc(Br)c1Br 2025779961 NKKPVKZIUCJZBA-JTQLQIEISA-N 525.285 6.521 50 10 KKGE COc1sc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2034630628 XOCGZGPPKAWQNR-NSHDSACASA-N 519.878 6.529 50 10 KKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2049895432 JOVQCSFPLIVGBK-IBGZPJMESA-N 531.325 7.845 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1csc(I)c1 2082859503 RMVNGSVMTLPWEG-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CC1(C)CC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493881 IGKTVWWLWITZAQ-INWYIAFRSA-N 524.316 7.453 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1Br 2136380271 SWWSFRYFYAYISA-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE F[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472624 GMNUINSZQUSIDX-OPVBNTEQSA-N 586.757 7.701 50 10 KKGE Clc1c(Br)cccc1COc1c(Br)cc(CBr)cc1Br 2166825802 NZBURMWBSDCIFG-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1Cl 2206397992 PJDCZXAVHDIMBG-QMMMGPOBSA-N 680.052 7.370 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206400165 PXWYOKFEIOXXJG-LLVKDONJSA-N 659.605 8.123 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccccc1Br 2218597572 NOXIZAFCPIMOCP-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2I)c(C)c1Br 2227350107 VNUTUVXGCKPATK-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE COc1ccc([C@@H](Cl)c2cccc(F)c2I)cc1I 2269555086 ZPIGIXMTPRZBMY-CYBMUJFWSA-N 502.492 5.372 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2270434113 JOLXYRNSWOTDSE-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C(C)(C)C 2272459157 FORWJFFDEGKQJE-SECBINFHSA-N 503.016 5.078 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1csc2c(Br)cccc12 2282895496 YMOYWTDFZOSJEO-CQSZACIVSA-N 526.006 6.892 50 10 KKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2288500750 KTRHTLKAMOICNL-LBPRGKRZSA-N 507.038 5.300 50 10 KKGE COc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)c1 2296055645 UIRKWXYWSFDKLT-VWLOTQADSA-N 518.038 6.030 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] 2296701138 YBINXCAXBCRBGW-FQEVSTJZSA-N 507.550 5.631 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 2296705967 DBKAFQBFGAKRAK-XMMPIXPASA-N 559.069 7.556 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 2297492602 DPJRQHSBYIBGKR-UHFFFAOYSA-N 540.345 6.020 50 10 KKGE C[S@@](=O)(=NC=C(C#N)S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Oc2cccc(F)c2C#N)cc1 2297565023 OANCZMPUXHWUAC-BHVANESWSA-N 550.515 5.199 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 2313521325 GPUWAOMLVGDEHR-UHFFFAOYSA-N 558.803 6.468 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1 2313521341 HQKZAKQRLLNGDN-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 2313567662 JXRKGMTXOXBORY-UHFFFAOYSA-N 524.580 7.574 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314487648 DKGJAVKJGJZKSK-FQEVSTJZSA-N 531.590 7.100 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591793 FBXCZXMPTGMQJN-DEOSSOPVSA-N 538.456 6.457 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591923 HTRKXZCJHUVBTK-DEOSSOPVSA-N 568.482 6.466 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593837 UOKUBEXIVLKJGO-AFMDSPMNSA-N 532.065 6.042 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314610416 HYVCZWGCJDWGEQ-UHFFFAOYSA-N 545.437 5.703 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 2314643135 DSHICXMAVXRVOU-MGBGTMOVSA-N 544.607 6.420 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314647016 YYBGTKWJPUPYGO-GDLZYMKVSA-N 646.769 5.943 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCC)c(=O)oc3c2)cc1OC 2314751110 QJGHGCXZXVMZKV-UHFFFAOYSA-N 518.566 5.023 50 10 KKGE Cc1sc2ncn(CC(=O)NN=Cc3cccc(OCc4ccccc4)c3)c(=O)c2c1-c1ccccc1 2325904122 COUKROQYIYRWPH-UHFFFAOYSA-N 508.603 5.163 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 2331376998 UMKFFVXTNBVNAH-RDJZCZTQSA-N 510.015 5.883 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331396394 UJZUUNLIQRFPAH-UHFFFAOYSA-N 500.451 6.946 50 10 KKGE Clc1ccc(C[C@@H](CBr)c2ccc(Br)cc2)cc1I 2337224788 DPGJTZPRWAZWNN-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2cc(Br)cc(Br)c2)c1 2338756874 DPDZTVKWPBKCLC-UHFFFAOYSA-N 513.849 6.970 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2c(Cl)cccc2Cl)c1Br 2362225011 STVXTWBHFMAKGV-NSHDSACASA-N 526.252 7.795 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Cl)cc1I 2365599835 XRXRZASJCRVQSX-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365599992 YGRIFTIMNGDPQQ-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403511 JLLWJBRQBJLDPI-GFCCVEGCSA-N 518.235 5.047 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)cc1 38679227 MUFUTZGVCFAVGL-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C3CCC(CCCC)CC3)ccc21 38701456 XUXOCAATKZTUKH-GRNKHODPSA-N 516.682 7.376 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 40514542 XIJGGQBQCVBMQY-YZSQISJMSA-N 506.606 5.781 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 100404057 VQCAJNKRNFSTTD-VBKFSLOCSA-N 516.178 6.521 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 101115692 JQZZEXZATYLTMO-HKWRFOASSA-N 542.979 5.479 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101293445 QBBYPAKVJXLYKD-XIFFEERXSA-N 592.623 6.806 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337764 QBWDWEPOAWJSJA-LDQYXZLGSA-N 514.585 5.901 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101341740 DAXOUJZOZDPPPQ-YDZHTSKRSA-N 587.456 5.143 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCC(C)C 101374200 MZNPHVVXAGXJQC-MUUNZHRXSA-N 579.447 5.695 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382820 LRWDETIMARFTFP-PMERELPUSA-N 583.984 6.030 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384220 ZPMQNWZDVZYHBT-HKBQPEDESA-N 536.559 5.916 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389319 NSSSNPOOCJQXBN-PMERELPUSA-N 554.549 6.380 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101394873 WNBRNOBXAHSFHE-GDLZYMKVSA-N 563.050 6.754 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CC[C@H](C)C2 102665472 XELCPGNLGLWPDD-HNDQUVLASA-N 539.997 6.417 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 102685577 KAYHUFSEOKUVJC-QOCHGBHMSA-N 574.641 5.128 50 10 KKGE CCOC(=O)Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCSS(C)(=O)=O)c1cc(NC(=O)OCC)ccc21 103537255 PDNLECARKRNSID-UHFFFAOYSA-O 582.724 6.167 50 10 KKGE in-vitro Fc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1Br 109844312 DQSMLPKAGZGOQW-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 110571754 RSRPHPXGFDSAGY-ZDLGFXPLSA-N 542.598 5.463 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 150382764 CDSWNRZKYPQLHT-BAAUMNHKSA-N 638.256 5.505 50 10 KKGE CCCCCCCCOc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 196302862 NROJOLLKELJOJB-UHFFFAOYSA-N 786.977 11.423 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 202272013 KYRSLFQMFXXGLW-HSMNPMAOSA-N 875.089 8.820 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2cccc(C(F)(F)F)c2)cc1 252640466 YUOKBOMSWLXKQD-UHFFFAOYSA-N 577.588 6.063 50 10 KKGE CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C[C@H]1I 254391142 LEWFGYWUDKXYIJ-SSKLXGCUSA-N 556.613 8.453 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)=C/c1ccco1 254398426 OJPGCYUQPNRAHI-XCPZHISISA-N 518.664 5.525 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccccc2)cc1 254568623 AVGKFTWPPRUDFS-UHFFFAOYSA-N 519.674 6.627 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 254821808 KIHHOFPQIWLITD-UHFFFAOYSA-N 582.660 6.079 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]2Br 256019069 JBUQPVQGHXJXSX-HSQYWUDLSA-N 606.580 7.757 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@@H](Cl)C23CCCC3)c(I)c1 388231838 GPPJIWXWOCTFFO-NEPJUHHUSA-N 522.979 5.868 50 10 KKGE Fc1ccc(Oc2c(I)cc(Cl)cc2I)c(CBr)c1 388233012 IAQJBTNDJCLQPB-UHFFFAOYSA-N 567.361 6.376 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616587294 PZVRPLOQLULUSB-QEMGTRFLSA-N 934.160 10.296 50 10 KKGE Clc1cc(Br)c(OCc2cccc(Cl)c2Br)c(CBr)c1 708139563 SRDOJRFQWNWQPR-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 725384160 OPIICWJZSFEFSC-RLPNJSHFSA-N 548.108 6.816 50 10 KKGE Cc1ccc(-n2nc(C(=O)Nc3ccccc3)sc2=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)Nc3ccccc3)nn2-c2ccc(C)cc2)cc1 1083858876 GTCQKHGXHWLTEA-UHFFFAOYSA-N 835.078 10.567 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1 1083862935 WONFEUOANKGGKA-UHFFFAOYSA-N 546.190 6.440 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084080070 FRRXGGRAJLVHGK-SANMLTNESA-N 616.496 5.940 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(F)cc1 1084121487 CYOMHVNCNYZYHI-DEDYPNTBSA-N 511.380 6.994 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(I)cc3)cc2)cc1 1084183998 ROVDZXBJDMWWMX-UHFFFAOYSA-N 500.336 5.033 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12 1084235621 DZAPQLUZXIFLBQ-UHFFFAOYSA-N 513.644 6.280 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c(C)c1 1084288758 VHHWLRNDTIEDDK-UHFFFAOYSA-N 577.150 5.748 50 10 KKGE CC(=NNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084492887 KWCSPYQBFNKBTQ-UHFFFAOYSA-N 593.080 5.776 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 1084582711 WYNOVFADHXVAEM-UHFFFAOYSA-N 586.928 7.115 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(C)cc4)cc3[C@@H]3C=CC[C@H]32)cc1 1565518698 CLIJEBWEOAONFS-JFPMUIDKSA-N 539.701 6.382 50 10 KKGE CO[C@]1(C)O[C@@H]2O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2O1 1615855644 KJOXQJMJZSWNTR-ANORYSPSSA-N 572.815 6.810 50 10 KKGE COc1ccc2cc(Br)ccc2c1CC(=O)ON=C1C[C@H]2CC[C@@]1(C)[C@]2(C)CBr 1772721812 ALGBBXVHLFHHOW-DURYTUKUSA-N 523.265 6.274 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743428 AAZJERLIJMMWGH-UHFFFAOYSA-N 525.996 7.380 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745384 XQGZRKPQSZUSME-UHFFFAOYSA-N 558.978 6.665 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772745787 HGQZPPQLHSINOF-UHFFFAOYSA-N 538.398 5.250 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCCc1ccccc1 1772753783 ISOCHKHGJZYVJH-UHFFFAOYSA-N 539.470 6.040 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848433186 OWGWSEUEDPLMHW-ABHIKAKFSA-N 645.130 11.166 50 10 KKGE Cc1ccc([C@@H]2O[C@H]3CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]3[C@H](O)[C@@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 1848441209 LDLOCXSNSCGETM-AYKQTRSJSA-N 584.826 7.073 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687337 OXYWEZXKOHUBQR-QFIPXVFZSA-N 564.967 6.538 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688459 SHTAPIMAKYOAEB-HXUWFJFHSA-N 550.240 5.632 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688734 ZLRAFGTWBDKHAJ-MUUNZHRXSA-N 530.584 5.936 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865689729 DBBCUSAZJLACDC-MHZLTWQESA-N 525.052 7.039 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692143 BIAPUQIBUHVDPE-SSEXGKCCSA-N 518.661 6.606 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccccn3)cc2)cc1 1865693425 OFISBIUMSNTPJT-QFIPXVFZSA-N 503.484 5.392 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867183509 WXXOKNSNRZCJNN-NDEPHWFRSA-N 556.663 6.394 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 1868342316 RMSIMWOEFYJPCO-UHFFFAOYSA-N 511.655 5.535 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1OC 1868434045 VUOBYIOJIPWZTA-NOZRDPDXSA-N 574.106 6.833 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 1872792041 BADYTUVRSPKENR-DEDYPNTBSA-N 525.512 8.122 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 1873496461 SVLKZBAOYNPXCN-FDAWAROLSA-N 520.029 5.511 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 1873498384 HYASPBIPVMAFRX-BIZUNTBRSA-N 506.993 6.536 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915770259 BKKSSJYZZHESSJ-UHFFFAOYSA-N 530.109 6.120 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2032959089 UATHJSMZHUTAMG-SNVBAGLBSA-N 519.878 6.529 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21 2060347437 GCNYDQPISZQZDD-UHFFFAOYSA-N 532.579 7.795 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C=C\[C@H](CCCCC)OO 2069819957 GMJLRVXYZZADNS-CZPAHNRFSA-O 791.081 11.044 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1Br)c1cccc(Br)c1 2092335666 PJDYTHSMXBFRSM-LBPRGKRZSA-N 511.877 6.695 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Br)c(Cl)cc1F 2113350877 JRFBJZBIUWHJMG-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@H]2CCCC[C@H]12 2141477079 LAMOTYPDGVWGJM-LEJLMFORSA-N 536.327 7.453 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1CC2(C1)CC1(CCC1)C2 2157156258 KZVBAGPBHICNTP-LLVKDONJSA-N 503.525 7.676 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2ccccc2Br)c1Br 2201061715 HOKKYAGTRXVLIL-AWEZNQCLSA-N 525.904 7.270 50 10 KKGE Cc1cccc(C)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206403710 LIVPIWHJZJWMFY-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE CCc1cc([C@H](Br)c2ccc(Br)cc2I)sc1Br 2255978160 HJAQVIGVKXLSLV-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE Clc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1I 2256334986 DUJIFVMBGKLXDA-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)c(I)c2)c1Br 2256336039 KSWUQWVBDWZNMZ-JTQLQIEISA-N 585.324 7.324 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1cc(Br)sc1Br 2263617107 BWSAQFXVAVIIHF-JTQLQIEISA-N 507.519 7.640 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)cc1I 2269557300 UDZWPYJTKZIYMF-CQSZACIVSA-N 546.943 5.528 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1scc(Br)c1Cl 2272721469 IPDVKVMBQIANCT-SECBINFHSA-N 515.826 7.295 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl 2313521293 DNQNRMZKFWNCEW-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567537 LFGTWUCHOBJSSG-UHFFFAOYSA-N 626.305 5.955 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314493992 YVWAXHZWLOTSLF-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314497644 MKZMFDNBLVFTOD-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593305 KZZZKOQYWKFQQO-QYBDOPJKSA-N 566.510 6.696 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314616639 GFMBQAZYLNQNDO-UHFFFAOYSA-N 506.606 5.661 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314617292 VLYCHGDMATZCGI-UHFFFAOYSA-N 625.128 7.873 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643483 ZXPYNOOCOSFECN-XIFFEERXSA-N 613.497 7.808 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)n1C 2315598781 RJPXTTIHNWVEGJ-YFKPBYRVSA-N 586.767 6.324 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2sc(Cl)cc2I)c1Br 2316596179 AURKFEOQLPIWQH-SECBINFHSA-N 524.447 5.549 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CC[C@@H]2C2CC2)c1Br 2319489593 MULRDDVWGDAUMK-IWSPIJDZSA-N 521.938 7.298 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OCCC 2331293466 ONXCCTPHWXZRPK-HXUWFJFHSA-N 506.668 7.771 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331332873 XLYPMSSOOANKRH-HSZRJFAPSA-N 517.676 6.318 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OCCCCCC)cc3)n2)cc1 2331344802 OCHSBMPCENCSLO-UHFFFAOYSA-N 518.723 9.068 50 10 KKGE C[C@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331358874 XRWFBFAWGCHSID-NFBKMPQASA-N 507.615 7.005 50 10 KKGE FC(F)(F)C([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C(F)(F)F 2336048248 SJUMYSUJNDSIJA-CQSZACIVSA-N 506.078 7.205 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2336083311 JEQTXJASRKKMPG-NRFANRHFSA-N 515.072 7.967 50 10 KKGE Cc1scc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2343478527 XROAVIUJIUGVNC-JTQLQIEISA-N 539.859 7.107 50 10 KKGE Cn1cc(I)c(CC(CBr)(CBr)c2ccccc2Br)n1 2367621127 IHHNNIAGDOGWIA-UHFFFAOYSA-N 576.896 5.058 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cc(Br)c(Br)s1)CCCO2 2369615694 LFOJGIBJQSNTIX-ZDUSSCGKSA-N 545.916 6.845 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 38686347 WIEVKYLPRXPUPQ-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822701 RZKLSCPLUTYMLW-AWQADKOQSA-N 513.597 7.131 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914781 YWFRWSWYYILOSO-KNFYQODVSA-N 515.094 5.529 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc1Br 100173327 LIJRTTNLXAULTK-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 100237002 RKWNIYOCGPELJZ-KNFLVYKJSA-N 565.881 6.597 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 100238582 FRRXGGRAJLVHGK-WUKQQSQZSA-N 616.496 5.940 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 100920317 QKVYPLRCRLEWED-NHNPKLJZSA-N 590.709 5.507 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241237 DAVYMFWIQOKMJM-VOEFLUBFSA-N 511.647 5.445 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242731 SDQOFPRSHVZNGY-YDYXIROLSA-N 536.451 5.402 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244512 LMSIRVBOPZXBCJ-NNHPPCHPSA-N 536.484 7.182 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101337651 JRMIJXFOHGLJEH-PUHRSXQTSA-N 604.710 7.780 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101368169 FIBNHAWSIGSNDO-QHCPKHFHSA-N 604.528 6.162 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCCC(C)C 101368313 KGIPNIFXLZPMPF-GDLZYMKVSA-N 574.630 5.583 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101393054 ZQEYJGQRRYKBCU-NDEPHWFRSA-N 597.495 7.407 50 10 KKGE COc1cccc(CN2c3ccccc3C3=C([C@@H](c4cc(Br)ccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1 102066725 HZOAIVKTQNULAZ-QHCPKHFHSA-N 568.424 5.123 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1I 102935072 LWLHFYDMGJSBKR-BOPFTXTBSA-N 549.195 6.723 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 103444632 DQZGMMLYFIILBT-QNGOZBTKSA-N 550.644 6.005 50 10 KKGE Cc1nc2n(Cc3ccccc3)c3ccccc3n2c1C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104232628 HKQBHINAGKUUPK-UHFFFAOYSA-N 564.649 6.823 50 10 KKGE Brc1cc([C@H](Br)c2cccc(I)c2)c(Br)s1 109312398 KZMRETSTWYBCNT-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1F 150442873 SGBXSHIRXWJSJJ-SANMLTNESA-N 656.535 6.701 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 161288787 ZWVQAIIATNWBQA-LLVKDONJSA-N 503.879 6.828 50 10 KKGE c1ccc([C@@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)[C@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 196179070 JMBTWUBNZRVXAU-YWSWRHJRSA-N 760.902 9.565 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 205779780 XHSLINKMZHEOJX-BQBNFOSNSA-N 676.795 5.889 50 10 KKGE Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(S(F)(F)(F)(F)F)c1 207860674 MPASHPJAIUOWCK-UHFFFAOYSA-N 558.536 7.585 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214257532 IXTBAINTOPKQFC-CCPXZDFDSA-N 508.622 6.109 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214323448 ZJXLKCXSBOCHKI-BMIAQULGSA-N 550.659 5.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 214375745 IVFKAXZGNLWBLT-DXJNIWACSA-N 534.619 6.793 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214384563 PWSNNZJYKHJELU-YKQZZPSBSA-N 600.675 6.485 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 234805438 FBZDGXDFRQPLKX-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 251465020 ZODHPXNJFNZLJV-TUFBUENXSA-N 597.722 9.946 50 10 KKGE biogenic O=C(COc1cccc2ccccc12)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 252637668 XVQMPLVTTTYLDB-UHFFFAOYSA-N 515.816 6.529 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253575315 ULTBDXIWEWMQAV-BQNXFWFHSA-N 580.717 6.852 50 10 KKGE Cc1ccc(C=NNc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 254341477 CPUSTZHJWCFXNL-UHFFFAOYSA-N 538.611 6.715 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc([C@H](C)CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254349718 GVTSHFSFMMCUHR-GOSISDBHSA-N 536.541 5.737 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254349724 GVTSHFSFMMCUHR-SFHVURJKSA-N 536.541 5.737 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1 254410811 KOQWUKHKRBXUHB-UHFFFAOYSA-N 510.642 5.892 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 254430018 MTVHIGMXWGSOTK-UHFFFAOYSA-N 579.638 6.813 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 254744417 XNXCCBGUUOEQKD-UHFFFAOYSA-N 549.737 6.388 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254820646 UZCRTEVIHFLOIQ-UHFFFAOYSA-N 589.718 5.509 50 10 KKGE CC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254836473 LTYXNIWODGNAKY-UHFFFAOYSA-N 518.216 5.919 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Br)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@@]12C 254851298 KFRQNXHOVDCRIV-YCWXJVGVSA-N 530.473 9.245 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nnc2-c2ccc(C)cc2)cc1 254854198 WIUNSILGLCGYFO-UHFFFAOYSA-N 513.667 5.791 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C\c2ccccc2)cc1 254873801 RDDCSOUXWHFOHX-YDEVDPAYSA-N 517.427 5.062 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Br)c1cc(Br)sc1Br 712577097 DBOSPTPLLQAGDN-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CC(C)(C)c1ccccc1NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237349 DUGPDEZLBXEOJA-QFIPXVFZSA-N 508.993 7.016 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)c1cccs1 725238831 QFSYMCAZLCWNGK-WJOKGBTCSA-N 618.155 6.643 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 725386678 VQWIWXUCBPZMLI-HHHXNRCGSA-N 571.501 6.672 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 725393456 YDZCTGOFHWGLLA-QHCPKHFHSA-N 501.410 5.935 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 725404479 IGLUMQQMQCVZID-MHZLTWQESA-N 595.490 5.817 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(COC(C)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105671 UAQNDQCPAXMXOE-OCEPDOHKSA-N 521.742 7.030 50 10 KKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1083862209 ZHGAKSJHXCUCBS-GRSHGNNSSA-N 548.824 6.058 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc([N+](=O)[O-])cc1 1083887286 BJNNWJAGPSAFPZ-UHFFFAOYSA-N 627.176 5.147 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1083922670 BYIDASLJHBMHPR-UHFFFAOYSA-N 570.797 8.935 50 10 KKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(-c2ccc(C(=O)NN=Cc3ccc(Br)cc3)cc2)cc1 1083924633 SHIVABCGGQSUBY-UHFFFAOYSA-N 604.302 6.406 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1084046458 CRVINDXXSFAWKP-UHFFFAOYSA-N 576.436 6.628 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(F)cc1 1084131828 CPCKUTHZDANTBR-UHFFFAOYSA-N 537.385 6.414 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084231377 JBVWKUGYSSXJPI-UHFFFAOYSA-N 719.086 6.887 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084233999 DLNVYIDAZLITPO-UHFFFAOYSA-N 598.530 8.501 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1 1084262503 QVZJMBSDJYGGLI-BUVRLJJBSA-N 592.320 8.762 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CNc1cccc2ccccc12 1084263219 WDVKDJXODNVIIJ-UHFFFAOYSA-N 562.762 7.368 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F 1084361190 YMOADUWIOTVUSB-UHFFFAOYSA-N 507.359 6.406 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)cc2)cc1 1084425803 QNPXJRAPZTYSDH-UHFFFAOYSA-N 636.712 6.336 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 1084521336 WRYVHBRTVFHPJZ-HMAPJEAMSA-N 505.412 6.589 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084656381 MUKWBISEPZWJQU-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE CC(=O)c1ccc(NC(=O)NN=C2c3ccc(Cl)cc3C[C@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1088692066 WGDVZURFCGFINB-JOCHJYFZSA-N 513.356 5.216 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\CO)[C@@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O)O1 1307286660 GLZXZXWXNKWZIJ-VQJIFJBDSA-N 644.881 5.110 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749532 VNWFCWSQPRUJBY-UHFFFAOYSA-N 603.460 6.434 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccc(C)cc1 1772754734 RTSDVRRJWKDABG-UHFFFAOYSA-N 559.460 6.541 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(C)c1 1772755173 RZFKNJGPKQXCGU-UHFFFAOYSA-N 582.545 6.711 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)ccc1O 1865681046 CXSJXLCZLDLAQI-DEOSSOPVSA-N 514.969 5.524 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682329 MCGUAZGQJBVZMM-MHZLTWQESA-N 516.557 5.633 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683313 IPOMCTRWSPAXOX-NDEPHWFRSA-N 513.601 5.985 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684113 TXXILTDNCZPTDQ-QFIPXVFZSA-N 517.358 5.668 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687997 GGEIWJRMFOKSOR-LJAQVGFWSA-N 550.659 6.063 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865694605 XREJCSWIZKFFEA-AREMUKBSSA-N 510.569 5.753 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCCCc1ccccc1 1865696385 FJJBDFBIWDCDCR-YTTGMZPUSA-N 542.639 6.572 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865700992 JEHOCYDKQVUOJH-DEOSSOPVSA-N 566.967 6.659 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701049 KKQALKDKZBFXDX-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703208 PYJQOXMLBRDOEW-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704112 NKZAOGWUXIWXOT-AREMUKBSSA-N 549.433 6.737 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706194 QBHSFPJICZZFJD-HNNXBMFYSA-N 530.677 5.978 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865709271 SOPDFISOAZITAB-NDEPHWFRSA-N 564.086 5.147 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711644 DIHHUDVVFIMZSU-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE CCOC(=O)c1c(NC(=O)CI)sc(C)c1-c1ccc(Br)cc1 1865947862 WUGDCQGORRKHPO-UHFFFAOYSA-N 508.175 5.036 50 10 KKGE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678934 DCOVSCYWDLMLFA-HSZRJFAPSA-N 504.656 5.987 50 10 KKGE CCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040044 PGVYYDYFEIJAMY-NHCUHLMSSA-N 543.512 5.924 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231634 MVTCZUBURXEJNE-LJAQVGFWSA-N 507.663 7.077 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CCCCC4)CC3)n2)c1 1868506182 SKYVKXTZGGLVQG-UHFFFAOYSA-N 528.682 5.698 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)nc2c1 1872728846 XMBZAEDGKZCIJB-CXUHLZMHSA-N 550.354 5.721 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1OC 1872745652 XDIPBQRVGHKYKQ-VYNQKWRLSA-N 511.987 5.335 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)\c2ccccc2)cc1OC 1872751359 DINOLGCVBYPVPB-WQJDHLQTSA-N 502.542 7.139 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)\c2ccccc2)cc1OC 1872753217 MPBAQJZPTWJGFT-XTMNVJKZSA-N 505.599 7.342 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872790857 IKKULRLZGLBNRV-WOJGMQOQSA-N 513.457 7.141 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCc1ccccc1 1872793403 YDSOUQHDVVHBRL-HZHRSRAPSA-N 510.659 7.768 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1scc(Br)c1Br 1943020849 CQIDQQCMWADXIK-VIFPVBQESA-N 523.935 7.144 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCCBr)cc1)Cc1ccccc1 2059312541 MSAFVVBFFUPVHZ-UHFFFAOYSA-N 515.517 5.337 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(I)cc1 2082377616 SFOGDUGFINWCMG-CQSZACIVSA-N 500.399 6.500 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccccc2C2CC2)c1Br 2104108215 NXFUHMVPKDJEPC-LLVKDONJSA-N 529.917 7.397 50 10 KKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470193 ZEPLHBZDADAEAU-OJFKHTATSA-N 590.720 7.464 50 10 KKGE C[C@@H]1OCC[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470467 HKCYSLWVRNPSGZ-BYULHYEWSA-N 540.315 6.832 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)Cc2ccccc2I)c1Br 2201073305 YWEIEFNIQIFNBM-ZDUSSCGKSA-N 528.453 6.956 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cccc(F)c1I 2203832534 BVFBCKSWYKSTOZ-ZDUSSCGKSA-N 513.970 5.994 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206405181 HCMVAVWDLQKBRO-CQSZACIVSA-N 550.285 7.512 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(Br)cc2Br)s1 2211912339 LKYFQYDPXUPTFF-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 2235605023 PWZOJISUEMKWBK-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)c(C)c1Br 2235611537 WYBKWJSRWZIEKI-OAHLLOKOSA-N 576.867 7.056 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)cc1C 2236008118 HXALLDWZXBQQNX-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1C 2288357474 VNAPINREFRLOEK-LLVKDONJSA-N 509.435 7.259 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)cc2)o1 2293189776 GLMWZYZZXBKDQJ-UHFFFAOYSA-N 533.005 7.059 50 10 KKGE N#CC(=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 2297533995 ZGGKILLWGQPHED-UHFFFAOYSA-N 550.011 6.009 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551381 GXPCFFCTYCWJAS-UHFFFAOYSA-N 526.730 5.776 50 10 KKGE CC(C)(C)c1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(C(C)(C)C)c1O 2297551444 KSHZUWCUVAIMRI-UHFFFAOYSA-N 500.393 6.204 50 10 KKGE CCCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 2313518154 NNFZKHOXMRXWGB-UHFFFAOYSA-N 504.368 5.641 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 2313553103 GCTAYPUDFPCPKN-UHFFFAOYSA-N 528.244 7.197 50 10 KKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2313570924 JHMGUSNBROEOJD-UHFFFAOYSA-N 529.254 8.157 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 2313570973 KMTALHISVKHWKD-UHFFFAOYSA-N 538.387 6.763 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314476689 UBBSDEAPGSRKHO-UHFFFAOYSA-N 510.569 5.317 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2314482531 NGTADVUCBQTBCH-PMERELPUSA-N 536.557 7.607 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571671 JXUOKROEEXVJIE-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618833 VBIJZAGDSCFPEN-XMMPIXPASA-N 557.050 5.753 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314640650 HYKXIJICROZPPY-JGCGQSQUSA-N 522.645 7.181 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(F)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329641140 YMYXJTWPOWWQTD-UHFFFAOYSA-N 513.388 6.211 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4c(Cl)ccc(Cl)c4Cl)c(OC)c3)nc2c1 2331046982 MRYOKWIQFQOYAB-UHFFFAOYSA-N 570.816 6.734 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c1OCc1cccc(C)c1 2331430370 KZUCNQRYFWIYIO-UHFFFAOYSA-N 517.448 7.533 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331474375 BSOBNHADCSUQJN-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2sc(Cl)cc2I)c1 2363892262 QJKLOCHZBOYVHO-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(F)c1Br 2365183957 BOKGUPPIUQYQGH-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1 2308463 KLZYSWQNXIPWLB-RGEXLXHISA-N 516.432 6.073 50 10 KKGE CC(C)CCOc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 14644624 IEFWRMDWHIEEQD-UHFFFAOYSA-N 501.627 5.736 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(C)cc1 34255315 MYGLZFAOSMQEMZ-NVMNQCDNSA-N 503.223 7.716 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1 38658866 SWBJIQRCVPXKEA-AREMUKBSSA-N 500.551 5.320 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38660261 OSWPTPWZOMBKEU-SSEXGKCCSA-N 528.605 5.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccccc1Br 38678786 GYMJIYPNHSWIMN-HHHXNRCGSA-N 511.375 5.969 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 38683909 IXNZWAARDBAVOJ-PMERELPUSA-N 520.585 6.465 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1 38684706 VWGVSWKPGQWXJV-PMERELPUSA-N 526.633 6.728 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823142 LJTNLUMSOPUWOT-UXHLAJHPSA-N 518.371 5.016 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1OC 41013055 XJBNJNJTPNHDFL-HAVVHWLPSA-N 519.667 7.031 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 100236239 FYDHCERGZJXUJA-ZTCOUNKMSA-N 585.926 6.773 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Br)cc1 100238555 KHENGLOLPMKENZ-GDKBXFSLSA-N 595.534 6.518 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101339378 HVRJLZWZHBTWHP-PCLIKHOPSA-N 570.617 5.656 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101390412 PNDNOBCNMKPWAQ-XMMPIXPASA-N 531.362 5.950 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101398886 WQYPNTJEHSVNIO-PMERELPUSA-N 611.437 7.116 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 101683264 QBAPIYNSHDUVNC-BUVRLJJBSA-N 574.858 7.827 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(C(=O)OCC)c1C 102924564 USVRVLXJEZZYDY-XSFVSMFZSA-N 517.632 6.663 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 103887656 MBSNQCMZZACLDG-MTJSOVHGSA-N 519.342 5.596 50 10 KKGE CNC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@H]1CP(c1ccccc1)c1ccccc1 139464926 BREAVWOTKQHAAN-SETSBSEESA-N 522.654 7.049 50 10 KKGE CC(=O)c1nn(-c2ccccc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(C)=O)nn2-c2ccccc2)s1 162895322 AWEWGPHUFBCDMS-WANSBIPISA-N 652.852 7.850 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 164605073 WSDLIXDBWVVOND-FADJLKOXSA-N 663.638 6.772 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 206409061 BCHPXSAXOXQRIS-QJOMJCCJSA-N 512.606 5.437 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OCC 207295022 QKCATRUGROLHQN-YMXYCTNHSA-N 507.583 5.752 50 10 KKGE O=C(N/N=C/[C@@H]1C=CC(Cl)=C[C@]1(Cl)SSc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 211661026 HYRUIRQBLFKHSR-JCOVRRAOSA-N 650.440 8.157 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 214345949 WSXBUHPEQKEGLW-IMRQLAEWSA-N 529.556 5.282 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1I 234813785 PSEYOTNRKXDFQT-CQSZACIVSA-N 560.849 6.309 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C/C(C)=C/c1ccc(C(C)C)cc1 252620141 LYCUZTDIHJOGIP-LBPXSTOSSA-N 538.721 6.650 50 10 KKGE CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 253534607 UISXOAJBTYXLPL-ZDMWZHKKSA-N 633.701 6.787 50 10 KKGE O=C(CCCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 254306740 BQYMPXCNHBNKDR-UHFFFAOYSA-N 604.751 7.176 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254489217 CEVGKAIRFLGOEZ-UHFFFAOYSA-N 593.709 6.201 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 254524083 KWBYLSOMHHWQKP-UDSFDZPVSA-N 595.583 5.094 50 10 KKGE Fc1ccc([C@H](Br)c2cc(I)ccc2Br)c(F)c1Br 691634469 IWMXOGDINATURA-NSHDSACASA-N 566.803 6.579 50 10 KKGE CCOc1ccc(C)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721572108 KDGKPUVIISSPPP-INIZCTEOSA-N 510.007 6.245 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(F)c1I 721697564 KBSQUOYUROAXDD-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c3c(cccc13)CC2 725413627 MKABVACYKAAYKS-UHFFFAOYSA-N 572.008 5.956 50 10 KKGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 1083941271 DMYXDBFASGJTCE-UHFFFAOYSA-N 553.324 5.119 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(Cl)cc2C)cc1 1083999810 VQUCSGDJNDUPLV-UHFFFAOYSA-N 627.992 6.472 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084191085 ZFEGLFCNXIBECR-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2ccccc2c1 1084210747 JIULFSJTZAEUBM-WJOKGBTCSA-N 601.541 7.272 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2)cc1Br 1084361942 FWACLWAIHBCFMX-UHFFFAOYSA-N 651.539 6.224 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084447096 CRRTZJLDOUHZIJ-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084488475 STQNSGBKSBLEMY-UHFFFAOYSA-N 556.354 5.333 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1084506887 DOOBPASTGFTENM-UHFFFAOYSA-N 554.477 8.102 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Br)cc1 1084535596 PXMIRGOHBNOCOO-JWGURIENSA-N 513.391 6.736 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1c(O)ccc2ccccc12 1084645621 LRYNZPGIFJUAEK-UHFFFAOYSA-N 528.417 5.198 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1 1565517484 BERYWQPFMHGDTN-UHFFFAOYSA-N 610.505 6.819 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccc(C)cc1 1772756557 UEHQEUBYNUXCJC-UHFFFAOYSA-N 545.861 6.144 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865694997 HMKILFMDVMXUNQ-SSEXGKCCSA-N 548.687 7.011 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(OC)c2O)cc1 1865695852 IKSUPCGRDMLXPT-JOCHJYFZSA-N 545.393 5.243 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715017 SZCDRTJKXDZASY-VWLOTQADSA-N 523.549 5.056 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715065 UUDJALHPAHMVCJ-HXUWFJFHSA-N 518.242 6.171 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866591296 VJPVVOBMKLBIQZ-SANMLTNESA-N 574.753 5.895 50 10 KKGE Cc1ccccc1CCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867120485 KVFGSNVULILGRD-SANMLTNESA-N 503.693 5.948 50 10 KKGE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867143779 OIXGUWHTGLXHQZ-JWQCQUIFSA-N 536.495 6.468 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1C 1868300887 JQUSOTUDAUHTAR-AREMUKBSSA-N 535.673 6.938 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868342360 SYDCKGPQBXXNAQ-UHFFFAOYSA-N 510.667 6.671 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Br)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455788 BVPLPODCHQIHCJ-DEOSSOPVSA-N 560.496 7.573 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)n2)cc1 1868544974 QJSHPGIDVHRQQC-NDEPHWFRSA-N 567.762 9.236 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 1872745749 BCEGWKSZZYFYHA-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915091759 BQPRNXOFUUAGPP-ZDUSSCGKSA-N 506.609 5.714 50 10 KKGE O=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915171244 WYZORTZFAWRXCK-AWEZNQCLSA-N 513.704 5.528 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccccc2I)c1Br 1924584704 BIADNBYLAMZYRO-MRVPVSSYSA-N 615.748 7.125 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 1924616270 NCKUKYKAVKQTTF-BMLSCUAFSA-N 523.910 6.287 50 10 KKGE Fc1ccsc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496374 WFGMTXAHMVECFT-JTQLQIEISA-N 586.738 7.422 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(C)c2C)ccc1I 2086021985 CZGBJFHKDUYZDK-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1Br 2137658263 WQJQXQDWDILQIH-JTQLQIEISA-N 554.323 7.182 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Cl 2141470473 HKKBETITTRGDAG-BKQHNDPQSA-N 539.331 6.405 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 2203002242 OEIJLRAWJQUELW-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206397424 JEJMJSTXCOJCFT-JTQLQIEISA-N 598.699 7.499 50 10 KKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399268 FCPNJPLCPREECN-LLVKDONJSA-N 615.154 8.013 50 10 KKGE CSc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206406158 VZROGXYVSYYNRQ-CQSZACIVSA-N 564.362 7.787 50 10 KKGE CSc1ccccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406285 XQJGGTPVIBDFKH-CQSZACIVSA-N 564.362 7.787 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2213747016 RKJMIVQZTAUHKT-SSDOTTSWSA-N 544.353 7.543 50 10 KKGE Brc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(I)c1 2278093301 YOWKMHAQODXKLP-CYBMUJFWSA-N 592.941 7.577 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1 2294953997 ZFNFUWNSUKIYHE-UHFFFAOYSA-N 588.505 8.518 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2295148760 LKIUCAPSVHJULQ-UHFFFAOYSA-N 656.095 5.853 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccccc1I 2295359934 KVTSZGVYYHTPMN-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 2296544479 MCAHIYMNKRZCLU-UHFFFAOYSA-N 505.983 5.404 50 10 KKGE CCCCN(CCCC)c1ccc(/C=C/c2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)O[C@@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 2296594999 SXFGKYGUYHUANQ-JKCTYNBASA-N 744.883 11.527 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645881 UYCZYVPKDTUVPW-UHFFFAOYSA-N 732.248 7.176 50 10 KKGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296717934 QUCRWJZGMKVSEE-UHFFFAOYSA-N 567.070 5.893 50 10 KKGE CCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296790077 MICXGNIFUVDFEV-UHFFFAOYSA-N 522.380 5.832 50 10 KKGE CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)C(C#N)=Cc1cc(C)n(CCC(C)C)c1C 2297486958 SJSNGPPBPYJFKQ-UHFFFAOYSA-N 519.564 6.048 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 2297710119 UDOFSWDURCFYLN-UHFFFAOYSA-N 567.443 5.412 50 10 KKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 2299837201 BACJRFBGWBELOP-WKEGUHRASA-N 519.869 7.153 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(Br)ccc2Cl)s1 2300954463 XZKHIRALQWZJBR-JTQLQIEISA-N 526.846 6.906 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631019 ITDSAFZSOFLSFX-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(=O)n(-c2ccccc2)n1C 2314475881 DYLKAXBAEUJYTC-UHFFFAOYSA-N 661.788 5.303 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)sc2c1CC[C@H](CC)C2 2314571538 GVLQIZZQIRMUMJ-INIZCTEOSA-N 509.027 6.899 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593476 NLNKBJGXFOIJJU-NSYGIPOTSA-N 552.483 6.306 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314617022 PDVSYQOHIYOAQM-UHFFFAOYSA-N 556.666 6.472 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cnn(C)c1I 2316178246 NFSHFFOCFWQYQW-LLVKDONJSA-N 504.029 5.286 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 2321721630 XDZXWMOVAMGIHW-SFHVURJKSA-N 506.430 5.670 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(F)c(Br)cc1F 2338722923 RQDCBYNVZRRWGB-QMMMGPOBSA-N 523.795 5.470 50 10 KKGE Brc1cccc([C@H](CI)OCc2cccc(I)c2)c1 2341611580 KREWELYMCQCDEI-HNNXBMFYSA-N 542.980 5.747 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361169788 YHRPWCLWBTZHCT-ZOCIIQOWSA-N 508.172 6.822 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2365594792 BXLXHDNCHSVRIM-LLVKDONJSA-N 589.707 8.152 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 2369431524 SBCDITYONWZEJL-KRWDZBQOSA-N 509.160 5.568 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 15930369 AMPJRDZJNIVXOZ-DQEYMECFSA-N 505.456 6.579 50 10 KKGE CCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 20072578 OVCUFJDBEOKBTJ-ZTKZIYFRSA-N 507.656 5.335 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651447 HNDLAWRIBVNGPN-XMMPIXPASA-N 503.396 6.184 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651694 ZCEIZPFBNCKXAZ-LFVRLGFBSA-N 509.331 5.179 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)c(Cl)c1 38656008 VBAGNPPKQHWFOV-XMMPIXPASA-N 515.780 6.158 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39858552 IJDSPJSFWRPDIN-AQTBWJFISA-N 504.468 5.668 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100225442 LJTJMXAPTUMUME-ATZGPIRCSA-N 614.014 7.114 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1cccc3cccnc13)[C@@H]2Br 100935324 GCAWFVIGTCWUBU-CCKFTAQKSA-N 532.070 5.826 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 101034075 ODNMCVXTJWXJLC-FYJGNVAPSA-N 563.038 7.495 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246664 IUZZBIDXKAWBGJ-GOHCDNDPSA-N 553.562 5.788 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101332555 NNMLNXXGAXZJLS-WPWMEQJKSA-N 532.575 5.870 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101333627 SNXLHUYSSTZASB-JEZFPDEOSA-N 625.795 6.132 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101334924 ZHVTZGYNQLQJLU-AJBULDERSA-N 556.666 6.757 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c(OC)c1 101365671 KAIAIFYJLWVBCZ-RUZDIDTESA-N 527.360 5.213 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369468 BPNRCDDDKFAZLW-KCEHZKJRSA-N 546.623 7.193 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369476 NMKNAZAPDMSLJU-HSZRJFAPSA-N 580.465 6.377 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 101375281 CEGRAQWWGCMVKW-LJAQVGFWSA-N 547.051 7.135 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101375352 XWGCQSLJIXDHKD-LJAQVGFWSA-N 557.603 6.390 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(C)cc2)c1 101382472 ACCNLGAVEUCQMI-JGCGQSQUSA-N 546.623 6.800 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382678 CHZMSDGTAHUAAX-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387087 LUBZOJCMTXVDJH-LJAQVGFWSA-N 591.422 7.157 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)oc2cc(Br)ccc12 101391385 LWYBEYLUVFJQAV-QHCPKHFHSA-N 580.232 6.704 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101395889 AJFIKBIGWSOTST-SSEXGKCCSA-N 617.167 8.658 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399527 UFLNSCVWEYURMU-XIFFEERXSA-N 604.634 7.522 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 101596944 XNLZDUFVEUNNPT-VUTHCHCSSA-N 534.366 5.294 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 101710984 YFQDKNPMYABATA-OFWBYEQRSA-N 560.613 8.418 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(OC)c1 102601989 OXDBMWRZUGXISW-IYDFJQPQSA-N 593.463 6.418 50 10 KKGE CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 102934572 FPXXTSKEQDYMPU-LDADJPATSA-N 550.434 6.468 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Cl)cc1Cl 102935000 DLGRRRYIQDQMGE-LICLKQGHSA-N 521.322 7.145 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103741503 NVPXHUUZKUUNFB-KVHSSYOWSA-N 573.299 6.821 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 104952813 UQWJCGZNFQYARL-YBEGLDIGSA-N 536.640 7.534 50 10 KKGE CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2OCC)cc1 112170812 ICWUULBVZFGAAE-HMAPJEAMSA-N 606.473 5.896 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1 150430954 STZIPJJSWSUCMI-ZZJXEYPFSA-N 702.302 5.977 50 10 KKGE CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C 169682277 UISXOAJBTYXLPL-YEQGXKTNSA-N 633.701 6.787 50 10 KKGE C[Si](C)(C)OCC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 195781369 LDUCAYFXHYLHLP-NJDAHSKKSA-N 541.071 5.919 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214228057 QYRAIBIWSLVUAL-PKAZHMFMSA-N 508.622 6.027 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214375869 YSTYLMFDAKILKU-YSMPRRRNSA-N 559.582 5.557 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(SCCC#N)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 215368114 WFXRMNGTFFJLSM-ZYXDSXQBSA-N 729.972 6.924 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 234863843 CQEQZABIRNZBFL-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc(Br)c1O 252620280 MAZKAYSQTXJTIJ-UHFFFAOYSA-N 593.110 5.649 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(Br)[C@H](Br)CCC[C@]4(C)[C@@H]3CC[C@]12C 254417600 VYXNUQWHPGRLNR-QGDNFAHCSA-N 530.473 9.389 50 10 KKGE O=C(NN=Cc1ccc(O)cc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254625969 YGYDWUJGWJKZER-UHFFFAOYSA-N 507.497 5.637 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 388182472 XYGXTEOLTHTJGI-SSDOTTSWSA-N 519.427 7.444 50 10 KKGE CC(C)C(C)(C)[Si](C)(C)O[C@@H](C)[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C(C)C)[C@H]1OC(=O)c1ccccc1 504286225 QLJVMOZIMIABRD-PWWKTKHKSA-N 519.875 7.316 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C 616585453 KEEBYCOQGORZDK-MZONXJPGSA-N 697.909 6.543 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1I 721680010 ONMVATUHIAMIKQ-GFCCVEGCSA-N 548.813 6.440 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 725430305 GBNMBLPIVVAFSS-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc(Br)c1OCC 1082989748 OBNBGLJEQCNSMI-BIHAEARJSA-N 596.478 5.185 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 1084046554 WPMYTOXSTIXWLG-HKBQPEDESA-N 505.618 6.205 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 1084126002 NQXYDUNYYYZUFP-HYARGMPZSA-N 505.412 6.589 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084202867 CWBXCVXFSPWOIQ-UHFFFAOYSA-N 584.503 8.111 50 10 KKGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1084239743 VUNCJBSEUDWMFM-UHFFFAOYSA-N 530.408 5.459 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084292963 GGRFDUGEURAZGJ-UHFFFAOYSA-N 654.634 7.417 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1084407596 KKUKMZFXBNJOME-UHFFFAOYSA-N 578.419 6.574 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084428141 PVYXSQCTKNPWDL-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084520538 PBQDTZQTLGIZMK-PXLXIMEGSA-N 532.984 5.092 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084541822 NSXPFRZIOOGCMR-UHFFFAOYSA-N 608.552 7.789 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1084578529 ZROFNQJPKFQWFM-UHFFFAOYSA-N 542.038 8.489 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084589216 DTOTUNJLQVBYHR-UHFFFAOYSA-N 669.613 5.737 50 10 KKGE CC(=NNC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084649765 RBKQKEJQPYZKAT-FSGGQHMVSA-N 516.110 7.249 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1OC 1772720217 IXZSLDQUDDIZQC-UHFFFAOYSA-N 531.568 5.902 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@]4(C)CBr)CC[C@@]1(C)C(=O)[C@@H]2Br 1772721797 SNRXUXZNCDKRMT-SWPDBLCKSA-N 503.275 5.266 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3cc([N+](=O)[O-])ccc3nc12 1772721824 SWBXQXOTBMQFKB-CAAMFFNKSA-N 555.473 5.988 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 1772755309 LHHHMLUAPGUIQR-UHFFFAOYSA-N 553.507 6.097 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684124 UFFRUIMOUPXUFL-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865687801 AQRXIFFMNMQIOR-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687836 BERCMGBPXHHSCS-PMERELPUSA-N 569.105 7.042 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865691392 QSMKHCVHWWHBCF-GOSISDBHSA-N 507.299 5.981 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865691513 UNNQMTWYOLHBMY-QHCPKHFHSA-N 538.446 5.524 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865696972 MGMXCHVPCKDELP-DEOSSOPVSA-N 557.448 6.236 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1C 1865703104 MZHWQUQMTLGSMI-GDLZYMKVSA-N 522.605 5.694 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705210 OSULEDVMNMHANU-DEOSSOPVSA-N 531.399 6.179 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865706722 DENVDGPXQRISGW-HKBQPEDESA-N 572.112 7.496 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709030 LYACJGGWMYWYKC-JOCHJYFZSA-N 517.372 5.851 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865711297 VAGBGBPIKFCAHK-LJQANCHMSA-N 503.322 5.824 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)c1 1866675323 CWMCWKKLIBYOPH-AREMUKBSSA-N 512.591 5.271 50 10 KKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868545084 QVFYJCPNYIWUOS-NRFANRHFSA-N 535.717 8.097 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752622 LKHIWVLIOFHAPE-DAFNUICNSA-N 507.527 5.285 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)\c2ccccc2)cc1 1872755805 HBOYGELXMPXDMS-OSJPICRCSA-N 506.671 8.458 50 10 KKGE O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915172749 QHNKIDAOPQTGFF-KRWDZBQOSA-N 552.126 5.576 50 10 KKGE O=C(c1cccc(F)c1I)N(Cc1ccccc1)C1(CBr)CCC1 1915742326 VHEXPBCOIBIMSW-UHFFFAOYSA-N 502.165 5.390 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c1Br 1939529742 VYIYDYOSNVVCSJ-CYBMUJFWSA-N 602.005 8.160 50 10 KKGE Clc1sc([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2026222185 VKBYLAFGSHVALV-JTQLQIEISA-N 571.297 7.015 50 10 KKGE CCn1cc([C@H](Br)c2ccc(Br)c(C)c2Br)nc1Br 2138861333 DFQRLDNULOTYDT-GFCCVEGCSA-N 515.869 5.983 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CCCCCC2)c1Br 2141471750 VPVQIWVCSKRRHD-LBPRGKRZSA-N 582.794 8.143 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141473993 WETSBQOEZGMBJJ-NSHDSACASA-N 645.607 6.717 50 10 KKGE C[C@@H]1OC2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141475533 OLIGGDKHOSFMRF-UPDSPZSASA-N 582.750 6.740 50 10 KKGE COc1ccsc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477379 PJRXXEZLAOFENE-NSHDSACASA-N 554.323 7.135 50 10 KKGE Fc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1F 2142278601 FRUXHAWEGPWQLE-LLVKDONJSA-N 501.934 6.011 50 10 KKGE Cc1nc(I)c(I)n1CCCCCc1nc(CCl)cs1 2145232256 PWMOWAFHFATGKZ-UHFFFAOYSA-N 535.620 5.009 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)c(C)cc2Br)c1 2145601955 WQNXXSKSLHVMOR-CQSZACIVSA-N 529.867 7.214 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(F)cc1I 2145958162 TUNBZPZGJLJLMX-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3scc(Br)c3Br)cc(Br)c2O1 2146616954 VBINVIWUALRSFV-UPONEAKYSA-N 545.916 6.843 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2202352820 PHWIIANWEDLLSF-CQSZACIVSA-N 550.843 6.853 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(-c3cccs3)s2)ccc1I 2205870076 QLVSQLHQHPFSDT-OAHLLOKOSA-N 540.083 7.328 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397441 JIINGEZZTBINFE-VXGBXAGGSA-N 604.747 7.998 50 10 KKGE Cc1cc(F)ccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398381 URTFGGJFHJGRFK-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2206400848 SVWMZIYVTCIPHJ-ZZIUEJKTSA-N 594.805 7.999 50 10 KKGE C[C@@H](c1ccccc1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404328 UMRJOELPECMOLY-VXJOIVPMSA-N 546.322 7.820 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)cc(C)c1Br 2220199027 SPBDSECQJQVKSB-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1ccc(I)cc1 2234070128 VANAWYMSOCRCGU-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE COC[C@]1(C)C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2248699552 HKYCLAFIMQHCLF-UMCCAMMJSA-N 511.899 6.144 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2scc(Br)c2Cl)c1Br 2253602936 YJRDVTCUQYFDCW-JTQLQIEISA-N 538.324 7.482 50 10 KKGE CCCCc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 2264365772 YYPQUZPTFUJURK-HNNXBMFYSA-N 514.064 6.942 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(F)cccc1I 2282784810 PNEARWGEBIUYBX-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293198187 GEKYBYVAGJLQCZ-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(C(=O)O)c1 2294172059 YIMSOAPBPNDHFF-UHFFFAOYSA-N 588.458 5.872 50 10 KKGE O=C(NC(=C(Cl)c1ccc(F)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297549120 PHGWIRSCZBBJGB-UHFFFAOYSA-O 536.994 7.115 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2313570963 KFATXVBXNWRGRQ-UHFFFAOYSA-N 552.414 7.153 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630230 AMZYQJPVNQKDQZ-UHFFFAOYSA-N 536.426 6.525 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314610694 LFGIQFJULOSQSK-UHFFFAOYSA-N 522.649 6.131 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314617393 XMAIIEQUBOMWOF-UHFFFAOYSA-N 527.024 6.126 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314618382 MNCLTLFBGNJHKY-UHFFFAOYSA-N 526.662 5.670 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1Br 2314634470 WBOXIZBVSBGXRS-XMMPIXPASA-N 542.216 6.593 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCC(C)C 2314634880 ZAJFXZDLZXSPAZ-LJAQVGFWSA-N 531.008 6.220 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644613 SMQVQIYZVIWZKB-XIFFEERXSA-N 613.497 7.808 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2cccc(C=C(C#N)C(=O)OCC)c2)cc1OC 2314754706 YZCQTDLAACTWHQ-UHFFFAOYSA-N 502.567 5.637 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 2314770558 IUAWSBXILJOSGN-UHFFFAOYSA-N 565.464 6.328 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331378652 MIJPFTKJRMFEBR-UHFFFAOYSA-N 513.059 7.430 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1 2331462734 KYUIRMSPRDZFIQ-UHFFFAOYSA-N 507.703 8.207 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1Br 2337091748 GQEQSOVIULUBMV-SECBINFHSA-N 556.314 7.621 50 10 KKGE FC1(F)CC[C@@]2(C1)[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Br 2364105384 DVIYDGPTYFRWAN-AGIUHOORSA-N 521.965 5.774 50 10 KKGE Cc1c([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc(Cl)c1Cl 2364404525 XPSNFHLUSPTOOW-CYBMUJFWSA-N 501.871 7.506 50 10 KKGE Brc1cc(CN2C[C@@H](Br)C3(CCCCC3)C2)ccc1I 2377348830 ZDFUAYCUQJRSDD-OAHLLOKOSA-N 513.055 5.583 50 10 KKGE O=C(NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 1090258 TUEPAUOALXCGDQ-UHFFFAOYSA-N 539.162 5.827 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790763 ROCFEKBJOUIQPN-FNBPXTNNSA-N 556.844 6.307 50 10 KKGE O=C(NN=Cc1cccc2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 3356961 YAJVKTDAJHMCKX-UHFFFAOYSA-N 596.737 5.328 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 14041269 ULPPVSZFCSGUSS-UHFFFAOYSA-N 518.235 5.555 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@H](C)C2 33693367 LASHIZPSJTZSFC-SUCHYCSPSA-N 505.552 5.763 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 38605530 TVQOVELEGAEBSW-JFLMPSFJSA-N 522.649 6.131 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2=O)cc1 38608553 LOKVMEZKKFQDSE-OGLMXYFKSA-N 514.585 5.649 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811771 FWTGSAOOSATZBV-XHLNEMQHSA-N 508.416 6.197 50 10 KKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822073 NRWOJNOZJNZOHI-ZTKZIYFRSA-N 514.409 5.403 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826763 DPEUXJVJKSWECH-INKHBPHZSA-N 526.633 7.001 50 10 KKGE Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)c(C)c2C)o1 58832542 GKLPSLSMRLZFBG-LFIBNONCSA-N 514.217 6.943 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(I)c1 97896158 FJAPRKGHQXSXEK-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)CCC(=O)N/N=C/c3ccc4c(c3)c3ccccc3n4CC)ccc21 100043974 WKAUPNOXRBOXRG-JTOYJDTJSA-N 556.670 6.323 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 100083337 YLJNDRQOWARQNV-UHFFFAOYSA-N 574.328 5.108 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1 100237653 OOCMGXDGNSRXOA-POBUXNOSSA-N 622.887 5.895 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(Br)c3)n2)cc1OC 100302548 BOHQFBYEVQYPDV-WLRTZDKTSA-N 522.218 6.122 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246555 ZOWXBMWAQBNRSY-HVCOVSINSA-N 566.510 7.190 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339449 UYJZARFJYFOAAX-AJBULDERSA-N 556.666 6.819 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 101373789 CFMANVNAXNWWDZ-NDEPHWFRSA-N 534.996 5.730 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101378969 BMJMZJYCVBBMTE-WJOKGBTCSA-N 565.069 7.654 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379973 VKAFJKQBVDPRAT-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381137 UKPRJTFZERATIX-SSEXGKCCSA-N 618.429 6.683 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(Br)cc1 101391402 DZXTVNKECNMKEK-OAQYLSRUSA-N 572.267 7.408 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)CC1 101393408 CXOJKDNOJVALDQ-PDNQPUDYSA-N 546.708 7.240 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396540 ZJTQPIRQCBFJHB-MUUNZHRXSA-N 581.496 7.789 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-] 101479302 UXAPVLOFTBSNJB-UHFFFAOYSA-N 516.662 7.174 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(OC)cc2)c1[N+](=O)[O-] 101479330 UFISUHGKUOBPTL-UHFFFAOYSA-N 528.698 7.044 50 10 KKGE CC(C)c1ccc(N/C(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)=C(/C#N)c2nc3ccccc3s2)cc1 102931702 UKGYCECQFILSHL-DUOGSNOTSA-N 565.749 7.979 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 102932866 YVMSQIRRGFKILL-UDWIEESQSA-N 562.807 7.289 50 10 KKGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103725216 ISBAUCDDHVJJGM-NVEWRSJMSA-N 605.311 5.586 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742914 ZLSQOXLCMFPOJH-BSSRNLCFSA-N 532.463 6.131 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 105626979 FOVOEJPXSQQESW-MNBJERMJSA-N 556.416 5.993 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)cc1 150410963 SPOJRWHLUJQIJF-ISPANKDXSA-N 690.822 6.198 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 150430294 QMJVMMFKWJCCGP-BIRDKGHYSA-N 753.202 7.144 50 10 KKGE COc1cc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150440784 GVEHJDPHAQMOBM-RMFAFKGOSA-N 872.925 6.525 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1Cl 150441850 YMBVOPLSAZHSRG-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150462369 MQJTZOOVZOBVBB-GDLZYMKVSA-N 656.349 8.715 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463078 HHLWOEVAHQLYST-HKBQPEDESA-N 627.480 8.073 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1 150482084 DPWTVWPJIAILNE-XIFFEERXSA-N 645.539 8.197 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 205664780 DXLNPTZEQWUTTH-FIDXFPQJSA-N 574.652 7.539 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)cc1 205781352 SPOJRWHLUJQIJF-YXGHVCOTSA-N 690.822 6.198 50 10 KKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206688700 PQGJPQITMIROLO-GBXBCIGXSA-N 500.551 5.309 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C2=O)cc1 214396221 IQGLVBPNEDFARO-ABGRQMIASA-N 570.649 5.972 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214427328 KTOBFBNKOSLGOB-GTWSWNCMSA-N 600.675 5.972 50 10 KKGE Cc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 252608145 HHEDZVDCMNNGSH-QFIPXVFZSA-N 520.662 5.972 50 10 KKGE O=C(NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(COc2cccc3cccnc23)cc1 254291996 CVUATVHVYPEHRA-UHFFFAOYSA-N 548.646 8.048 50 10 KKGE CC(C)[C@H](C)[C@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@@H]2C3=CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 254381975 NTJWQDRCALCUGV-HDHBFUMUSA-N 554.451 8.510 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OCC)c2)cc1 254696673 YOSAFSQUIAPFKP-UHFFFAOYSA-N 518.610 6.036 50 10 KKGE COc1cc(C(=O)OC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc(OC)c1OC 254790777 KHUBONOYDWHKJY-GPPPBCNDSA-N 586.766 5.803 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 254816241 DUHDXUQVCCUDTD-JVIQGWLESA-N 635.677 5.590 50 10 KKGE COc1ccc(Br)cc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382686937 GFHXHTVIWQEKJL-CRAIPNDOSA-N 530.200 5.245 50 10 KKGE CC[C@@H]([C@@H](C)OCc1ccccc1)N(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 503898170 MILMVSZEAFFKIO-NJHZRGNWSA-N 603.764 6.376 50 10 KKGE C[C@H]([C]1C=CC=C1c1ccccc1P(c1ccccc1)c1ccccc1)P([C@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2 604982873 CGFLFABMIGBJIL-HTJLCCRYSA-N 573.721 9.220 50 10 KKGE CO[C@@H]1[C@@H](CS(=O)(=O)c2ccc(C)cc2)[C@H](CC=O)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 605699478 KOLNCCOWEPGLNP-GRPMBEMWSA-N 614.994 6.559 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)C[C@@H](Cl)C(O)(O)C(=O)CCCCCCCCCCCCCCCCC 888085316 KWICQUBSDWEUQG-DIPNUNPCSA-N 643.478 12.326 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c1C 1083907655 QMIUTSKQZVOAMA-UHFFFAOYSA-N 546.534 7.362 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1083915699 ZSHRUPISCDWNIO-JOCHJYFZSA-N 615.149 7.061 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1083998438 CQQFDJUBBYGZOV-OVCLIPMQSA-N 618.085 8.029 50 10 KKGE N#C/C(=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 1084189535 WEJDAIZYDKKEFE-AQTBWJFISA-N 506.425 5.768 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 1084238717 RNECQKBNBJACFT-DEOSSOPVSA-N 555.425 5.089 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(Cl)cc1 1084271735 LHZBFMJSRYYTNX-WJDWOHSUSA-N 501.753 6.420 50 10 KKGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1C#N 1084274842 SLUMSSQTHZLOBU-UHFFFAOYSA-N 507.594 5.012 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1cc2ccccc2o1 1084297508 RQKFIHPTBQVRIN-UHFFFAOYSA-N 625.260 7.296 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1084320241 AKUBVWXXJZBQIM-GDLZYMKVSA-N 652.529 6.785 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084552340 FDKWVGQKAATEBF-UHFFFAOYSA-N 645.565 5.772 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084574484 LQFGLKWNTRTHRB-QFIPXVFZSA-N 531.834 5.654 50 10 KKGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c(OC)c1 1084576999 OZVKLQZYWPYZBH-UHFFFAOYSA-N 543.693 5.482 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1084588518 RDWOTJPTMRPHJQ-UHFFFAOYSA-N 600.675 7.441 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Br)CC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537079 UKWGOBGGUGJZAH-NBBPMDFHSA-N 551.719 10.118 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357456 CRQINLQHLROTFQ-CGRTXEHKSA-N 555.315 5.912 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@@H]2Br)cc1 1615831903 FLELJGYJBJTRIZ-RTCASHSISA-N 624.376 5.200 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772744058 POSSYAWXKXDMIO-UHFFFAOYSA-N 536.357 5.727 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746688 FKOIOPKKGBQRLE-UHFFFAOYSA-N 550.575 6.563 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772748438 XNBNOJGWKSZABR-UHFFFAOYSA-N 539.430 5.647 50 10 KKGE C[C@H]1O[C@@H](O)C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1848441434 XQVRFFNBGUPUED-WQZSUXSPSA-N 624.970 6.004 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865682967 BXDBUOHTKKAURF-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCCc3ccccc3)c(OC)c2)cc1 1865688714 YYGOVDQZPSEIBK-RUZDIDTESA-N 562.548 5.748 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689702 CREDDVHPRIMEAB-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692780 PFYPPRKZJQOYMU-QHCPKHFHSA-N 549.414 6.090 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865694232 RKDZYQTTWNVOBT-DEOSSOPVSA-N 500.961 6.008 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865696971 MFIPQBFDUSLLDZ-HXUWFJFHSA-N 529.822 5.476 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865697092 WXPSFISEJZCEPN-HKBQPEDESA-N 562.714 7.401 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699298 PYBGSCFEXKYDGW-AREMUKBSSA-N 505.553 5.456 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701570 YIHDBHSBSLQEPU-HHHXNRCGSA-N 566.448 7.038 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707358 VGGNXCWLWXHCLE-AREMUKBSSA-N 508.578 5.151 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865712660 DXNODFHKXUVJND-JOCHJYFZSA-N 518.360 6.032 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865715173 YNRYFHQCODHHLX-OAQYLSRUSA-N 538.232 6.827 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866677689 PSJQQARFIFILRL-AREMUKBSSA-N 544.608 5.280 50 10 KKGE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678993 FGLAQYUDNDFPLZ-XMMPIXPASA-N 518.683 6.377 50 10 KKGE CSCC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866780704 GMGLQOVAKLUNCZ-RPBOFIJWSA-N 507.656 5.797 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4ccccc4s3)nc(-c3ccc(F)cc3)n2)cc1 1868456833 UPCMTXKCGBQJMP-QHCPKHFHSA-N 524.650 7.551 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 1872793931 AWCDBNQVQBKJQS-HZHRSRAPSA-N 523.057 8.577 50 10 KKGE Brc1cc([C@H](Br)Cc2ncccc2Br)c(Br)s1 1924907152 MZIOHMPESDAHII-MRVPVSSYSA-N 504.867 6.109 50 10 KKGE Cn1ncc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1I 1925595347 SDYQBVNSTGJOHM-YFKPBYRVSA-N 530.838 5.640 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4c(s3)C[C@@H](C)CC4)ccc21 2053615057 WNZPZFVYQIAJRS-QFIPXVFZSA-N 539.708 8.313 50 10 KKGE Clc1sc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141470926 MFXIPAAINDUKOF-SNVBAGLBSA-N 682.089 8.698 50 10 KKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471007 MZLMTZPRBORBSG-CVJICSNFSA-N 584.766 6.988 50 10 KKGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141471987 YPMWPNLFKQVICV-JTQLQIEISA-N 604.778 5.750 50 10 KKGE FC1(F)C[C@]12C[C@H]2[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472097 ZUEKVJVKWZTQMY-FCBCCEKLSA-N 588.704 7.218 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141472404 CZANJVIBQXKYPL-OLZOCXBDSA-N 584.766 6.989 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2csc(Br)c2Br)c1Br 2141474301 ZBIMIWVXNBBYNE-SSDOTTSWSA-N 726.540 8.807 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2193095195 SFYYCQAKFIPKNL-IJAJPTPBSA-N 519.402 6.472 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)cc1Br 2202904642 VAVKQURAIGHMLY-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1Cl 2206401065 VEBZVZJSIDEVSQ-MRVPVSSYSA-N 635.601 7.261 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2226836027 UWYARRWIJOVBPZ-CIQYLNAISA-N 584.766 7.130 50 10 KKGE Cn1ncc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2263528068 YHBNHBXHYCFVLX-NSHDSACASA-N 501.842 5.386 50 10 KKGE Fc1cc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Cl 2277901470 BBPXRVQBZAEEEP-ZCFIWIBFSA-N 511.863 7.398 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(Br)c1Cl 2283556361 XWZSNFINCKOVOG-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(Br)c1Cl 2283564731 ZUSIRTJPDRTQSI-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1Cl 2288496624 JKHZKZSYNCZLCI-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE Cc1ccc(Cc2cnc(NC(=O)C(C#N)=Cc3ccc(OCc4ccccc4)cc3)s2)cc1Cl 2293202096 BLYKEMMNZJPWGN-UHFFFAOYSA-N 500.023 6.820 50 10 KKGE COCc1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2295275474 VJRRWXCAPQMTOQ-LBPRGKRZSA-N 547.932 6.861 50 10 KKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2295887832 HBTMOYKIRMCUGU-UHFFFAOYSA-N 542.314 5.406 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OCc2ccccc2)c1C 2296789991 HDRRCKCVFGSGIU-UHFFFAOYSA-N 547.633 6.829 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(=O)OC)c1C 2296790123 PXXFEWKRVDHRIF-UHFFFAOYSA-N 513.597 5.137 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccc(I)cc1 2299494910 JMLNFCOKVOSYGM-FQEVSTJZSA-N 558.051 7.117 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314487132 HAWLFQSMHCCJLX-UHFFFAOYSA-N 536.352 7.456 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593229 JXPQCVHSTUWRIO-BCHFMIIMSA-N 532.065 6.042 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593967 WOWFKDPBJRSLGK-RBISFHTESA-N 509.675 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314620611 STLPZHALJASBGU-UHFFFAOYSA-N 588.683 7.204 50 10 KKGE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646622 GEEQCOLORHPYMZ-MHZLTWQESA-N 588.689 5.073 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(C)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329632756 OBBJWWBWPLSSLO-UHFFFAOYSA-N 509.425 6.381 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)OC2CCCCC2)c1C 2329703450 ZHQJWEUOTRLLEF-UHFFFAOYSA-N 526.611 5.286 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331331261 ZUOHPOFJMAWHKD-CMJOXMDJSA-N 501.564 5.085 50 10 KKGE CC(=NCCCP(c1ccccc1)c1ccccc1)c1cccc(C(C)=NCCCP(c2ccccc2)c2ccccc2)n1 2333253053 SUVLDUIOVZEIFC-UHFFFAOYSA-N 613.726 7.746 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(C)c1Br 2360438395 VSOQAUPRPZOKMM-LLVKDONJSA-N 525.890 7.820 50 10 KKGE Clc1cc(Cl)c(OCc2ccc(Cl)c(I)c2)c(CBr)c1 2362426794 BNCLKDWHSXEKPT-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(C)C)c(OC)c1 38684255 VPHJTEQPTMEBCK-MUUNZHRXSA-N 514.578 5.566 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813590 DEHPXMWSMKWNBV-NJZRLIGZSA-N 506.389 6.771 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813718 HQQDNAVZLLBFDN-VUTHCHCSSA-N 514.365 5.404 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)cn5)c(C)c43)coc2c1C 40826710 GBKOAUBDWYKOHA-AJBULDERSA-N 504.974 5.651 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)O 59305225 HGVDDYWBEQZIIA-BIZUNTBRSA-N 523.589 5.417 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(OC)c1OC 91351702 SWJPZCYSQYGPEH-CIAFOILYSA-N 522.565 5.162 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 101034425 UTCANOGVBNRJBZ-UDWIEESQSA-N 592.658 6.616 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242984 CUPGNUVQEYCNHO-PZJRUVIDSA-N 516.066 6.206 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243921 UOKUBEXIVLKJGO-PZJRUVIDSA-N 532.065 6.042 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 101370863 XBVDCWOSCCWMNH-QFIPXVFZSA-N 546.204 5.958 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101372795 ZVLBCMCNMNMPAY-GOSISDBHSA-N 534.462 5.307 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379730 VIDGVJBURKSTGM-AVFRELCNSA-N 565.025 6.765 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)oc2ccc(Cl)cc12 101391978 SDENJEDRUINSEF-HSZRJFAPSA-N 525.775 7.139 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101396912 MPSWNJMBICOQQV-SANMLTNESA-N 579.505 8.214 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccc(Cl)cc1 101697878 XHEGPCJGWHXGIM-RMQWKZBYSA-N 599.039 6.371 50 10 KKGE CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2sc3c(c2C#N)CCCC3)N1 102806849 OTIRQCPIYXRCQV-AREMUKBSSA-N 612.762 6.408 50 10 KKGE CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)C(C(=O)OCC)=C1c1ccccc1 103026049 LIGGWKZLVZBSCR-SVBPBHIXSA-N 546.067 6.446 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1 103755204 JOSQQHYNLYCUDT-UDWIEESQSA-N 524.358 5.733 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103880563 RNSAAKQPIPTHPB-RWPZCVJISA-N 534.366 6.175 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(OCCOc2ccccc2)cc1 150405966 IKKPJYAMUUHPHN-UHFFFAOYSA-N 673.383 5.537 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(I)c2)cc1 150499268 RMEXBMLEQXLLJU-WOJGMQOQSA-N 636.227 6.029 50 10 KKGE CC(=O)OC(=O)c1ccc(OCCCCCCOc2ccc(C(=O)OC(=O)c3ccc(OCCCCCCOc4ccc(C(=O)OC(C)=O)cc4)cc3)cc2)cc1 161727844 QCXOKEOVDJZTTH-UHFFFAOYSA-N 782.839 8.127 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[Si](C)(C)C 196759017 LYEQLVCCHOHXEJ-KCWRXROSSA-N 564.956 7.464 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205777030 SWDNNKGABUHBPX-NYRFQVNLSA-N 648.810 6.348 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(I)ccc2Br)c1 232482126 JHVIHGZUHLRDKR-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(F)cc2I)c(Br)c1 233819874 DQKFFPDOHBIFQG-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE CC[C@@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253530195 MYLPOKATQGVMSF-UWQUTLEOSA-N 644.617 10.347 50 10 KKGE biogenic C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253559809 AADUKIOUHOTJTH-PQHGMGRISA-N 586.765 6.987 50 10 KKGE O=C(NN=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccccc1I 254311281 PBDRSJZGWCRNBR-UHFFFAOYSA-N 558.782 5.759 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 254512229 JQYXUVSUOLLINV-UHFFFAOYSA-N 517.545 5.790 50 10 KKGE CO[C@H]1C[C@]2(CC[C@@](C)([C@@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]5C)[C@H](OC)[C@@H]4C)O3)O2)O[C@H]([C@@H](C)[C@H]2O[C@H](CC(=O)OO)[C@@H](C)[C@H](OC)[C@H]2C)[C@@H]1C 255969177 DHYSCHSUXDLLKZ-GRLPYEFQSA-N 815.051 5.540 50 10 KKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(I)c(Br)c1 312337552 CKYJRFBTVYMKTE-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE ClCc1nc2cccc(Br)c2n1-c1cc(I)ccc1Br 697738461 YHHQGEMZZYGJKN-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccccc2)CC1 725237740 MQUMZPOQRQXXHP-XMMPIXPASA-N 536.019 5.424 50 10 KKGE COC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O[C@H]2CCCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 725274142 NNCUXEYCPYHOSU-OTXQJIDTSA-N 594.865 5.761 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)c1 725399007 XNRQJEBNALUUNR-UHFFFAOYSA-N 556.732 6.180 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 725433854 SLENSUBDIRWNEB-XIFFEERXSA-N 543.667 7.174 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(I)cc1 1084025332 LDTODDXTZKBNGY-QFIPXVFZSA-N 593.259 5.597 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)o2)cc1 1084127864 YENWSEFTHDDELH-UHFFFAOYSA-N 549.671 6.342 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1F 1084144064 JBRGAFMWDCVOFI-XQNSMLJCSA-N 611.455 5.664 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)cc1 1084194444 CXNOBIHBGCDFNM-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 1084247839 XVVDUQKZWDGVSV-WJDWOHSUSA-N 514.217 6.943 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084257285 ONYIQRHTPBVJNL-UHFFFAOYSA-N 614.646 5.476 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 1084484038 ZREUZWRSROLGOL-UDWIEESQSA-N 525.830 6.934 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 1084496996 RLMIWOCKJYGVPK-XMMPIXPASA-N 555.425 5.089 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084599422 DZPAFQVPTFZCNP-UHFFFAOYSA-N 538.354 5.845 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(C)cc4)cc3[C@H]3C=CC[C@@H]32)cc1 1565518697 CLIJEBWEOAONFS-HEWUYBSCSA-N 539.701 6.382 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccc6c(c5)OCO6)c(C)c43)coc2c1C 1772751595 GUFWTVLCMXZLBJ-UHFFFAOYSA-N 527.577 5.009 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1772753653 WVKKHAFJEGSADC-UHFFFAOYSA-N 549.463 6.644 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccccc1Cl 1772756514 ICMJQUXTLIQWMO-UHFFFAOYSA-N 566.279 6.489 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2ccccc2F)ccc2ccccc12 1772760387 IDRJFRLMYWDIKS-UHFFFAOYSA-N 501.608 6.410 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 1772760568 VFYIJLOHHLOKCW-UHFFFAOYSA-N 529.449 6.090 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC)[C@H](OC)[C@H]1OC(C)=O 1848435609 RRWCFRRJDLLSIP-IPVPECPMSA-N 628.747 5.082 50 10 KKGE C[C@H](CO)[C@@H]1CC[C@H]2/C(=C\[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@]12C 1848438784 VGPRIHGJOIJOMO-CFQQJKFASA-N 508.841 6.426 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687435 RDOFQXVBPUBTPF-QFIPXVFZSA-N 546.977 6.399 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865688703 YQGSAMJFXRIFCJ-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1c(Cl)cccc1Cl 1865689567 SRDGMUQMHNHXGB-VWLOTQADSA-N 534.403 5.688 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865689695 CNQVLWMITSITEM-QGZVFWFLSA-N 505.294 5.270 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689985 YHIPSUZVBDWUQI-QFIPXVFZSA-N 579.838 5.896 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865691420 RIPNXVHMNUDHQJ-RUZDIDTESA-N 569.475 6.327 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865707387 VPZBGYSEGXCNTO-NDEPHWFRSA-N 565.599 7.289 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccc(Cl)cc3)n2)cc1 1868432912 AQQJCYPKXFXCEY-DEOSSOPVSA-N 528.085 7.057 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)c1 1872749891 MAVZWXSKWOGETF-QVTSOHHYSA-N 515.638 7.887 50 10 KKGE CC(C)c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 1872750709 OYTNRNIEEFRKCW-XVVHMMQBSA-N 505.210 6.357 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)cc1Cl 1872756329 XOKXEOOWVZEWKD-PYCFMQQDSA-N 516.450 6.909 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872794310 VBPYGMLOPCJVBA-BUVRLJJBSA-N 517.695 6.836 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2csc(Br)c2Br)s1 1900925398 ZSKBFYQLXYGMCQ-LURJTMIESA-N 577.326 7.077 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1C(F)(F)F 1915258943 FAMIOLSEFXEUEF-SFHVURJKSA-N 507.188 6.530 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)s1 1922943650 WCXHFQVQGMPQFM-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568764 LDGZOIZAFKRAAH-YLWLKBPMSA-N 503.826 6.517 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)sc1Br 1924586462 YCMWJBLPZFIKDY-LURJTMIESA-N 588.804 7.652 50 10 KKGE CC1(C)C[C@H]1CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924612909 FFAVNAYHPCSCHO-RNFRBKRXSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC(C3CC3)C2)c1Br 1924615005 VGEQYXRKPLPPOL-IEIXJENWSA-N 507.911 6.908 50 10 KKGE Clc1cc([C@H](Br)Cc2ncccc2Br)ccc1I 1924861498 OOYDYBIESARVNZ-SNVBAGLBSA-N 501.387 5.781 50 10 KKGE FC(F)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995049338 YLFBSMHKMSVYQU-VKHMYHEASA-N 550.655 6.828 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2sc(Br)cc2Br)c1Br 2017377817 WSTLDZJJKONHDF-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE COc1sc([C@H](Br)c2cccc(C)c2I)cc1Br 2034630639 XQLVOPCTSLVVNM-LLVKDONJSA-N 502.009 5.917 50 10 KKGE ClCCc1nc2cc(Br)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2041862037 FHFOCGIVKZPXFA-UHFFFAOYSA-N 531.325 7.326 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2111085906 BVBFJAPCNIEFRV-VIFPVBQESA-N 528.318 8.026 50 10 KKGE CC(C)(C)[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Cl)C(F)F 2111375322 WSWHGPWYBGDKMO-RITPCOANSA-N 503.472 7.680 50 10 KKGE C[C@H]([C@@H]1CCCO1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468318 IZXZOULWKUCCAV-XIDCRBKBSA-N 540.315 6.832 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@H]32)c1Br 2141471354 QLDBYWIKYUBDNT-CFFNLYOZSA-N 582.750 6.598 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141475707 RAPTVIOBYWQYIE-JTQLQIEISA-N 637.638 8.589 50 10 KKGE Clc1ccc(Oc2c(CBr)ccc(Br)c2Cl)c(Br)c1Cl 2206353917 LJWRQMPPCFVJMK-UHFFFAOYSA-N 524.261 7.859 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206399083 CCHUVKQLJBDMSV-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE Clc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206404546 AQDKGUQFVWFGGF-CYBMUJFWSA-N 587.158 8.372 50 10 KKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2207261906 OINKZCWGPKVTRP-YPMHNXCESA-N 515.027 5.078 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1I 2217863277 BSBMELRAIYJVOR-NSHDSACASA-N 564.906 6.979 50 10 KKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2232581270 NFKPNKNMMSLFIF-NWWTUURKSA-N 564.259 7.605 50 10 KKGE CCc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)sc1Br 2255989122 QCBMGUBASLQCMF-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE Cc1ccc(SC(Cl)=C(NC(=O)c2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297468252 JWHBFOKWIOCYSH-UHFFFAOYSA-O 599.543 8.530 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2csc(Br)c2Br)c1 2299503545 GQXHRVMBHHSURA-INIZCTEOSA-N 595.976 8.099 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521297 DPWGELGBTQQDMQ-UHFFFAOYSA-N 550.223 7.640 50 10 KKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313568108 RLJBTWPVJQQAQO-UHFFFAOYSA-N 531.177 5.181 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(F)cc1 2313568729 YCMSCBDXKLQYJV-UHFFFAOYSA-N 597.428 5.274 50 10 KKGE C[C@@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccccc1 2313738816 QUFOBIIFQMUWHJ-QGZVFWFLSA-N 540.255 6.575 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2314476801 WFQHYCPCXMETQT-UHFFFAOYSA-N 609.173 6.342 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)c1 2314534031 WJPHBCPSANTFON-UHFFFAOYSA-N 529.394 5.720 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C(C)=C(C#N)C2=O)cc1OC 2314616560 DOJFHCKJIMBEIS-UHFFFAOYSA-N 650.735 6.970 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314620853 VXOOTFHTOJHCRO-UHFFFAOYSA-N 586.692 6.418 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314646869 SGNGQIWQHVJIPF-YTTGMZPUSA-N 714.775 6.183 50 10 KKGE Cc1cc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Br 2324609657 IKDGXRCPEOESDF-UHFFFAOYSA-N 515.455 5.511 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 2331377351 NVTBNYOWFIRYBX-LLVKDONJSA-N 511.814 7.048 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 2331402967 MIGWMYVKNHFERU-CQSZACIVSA-N 519.848 7.112 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)Cc1ccccc1I 2338024169 QCZOCHYUMIENSZ-GFCCVEGCSA-N 514.064 6.746 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc3cc(Br)ccc3c2)s1 2363892780 XOUCLPXWEKZDLS-AWEZNQCLSA-N 542.461 7.406 50 10 KKGE Cc1cc(F)c(CBr)c(OCc2cc(I)ccc2Br)c1 2367519114 DWRBTOJRLKZDDG-UHFFFAOYSA-N 513.970 5.975 50 10 KKGE Clc1ccc(I)cc1CO[C@H](CBr)c1cccc(Br)c1 2380345741 FAPBAKXQHUZSDE-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)cc2)cc1 38685439 FSLPHTNYGOEWBF-GDLZYMKVSA-N 510.590 6.258 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(CC)cc2)cc1Cl 38700447 SKJFPRQVSDICFH-RUZDIDTESA-N 523.416 6.782 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38700708 LVASZXKRFWEHOS-XMMPIXPASA-N 502.979 6.554 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 40870112 RJWICMNLHHIHRY-CJLVFECKSA-N 504.970 5.337 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 58891928 QVYIPGVWCGQEKO-CIGKTAFOSA-N 507.428 5.721 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 97968663 GUKCINIYVVROFO-BOJFNEGLSA-N 563.293 8.015 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)c1 100059740 VYCIFJLLLMFJIQ-WMFSDKRHSA-N 542.680 5.608 50 10 KKGE CCOc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 100231947 RQEHKQKJHMAXRH-JPJGIZCJSA-N 556.413 5.299 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1C#N 100235284 LZYAWVAAENUGBU-JNJFLXMWSA-N 576.491 5.991 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 100237103 ZRCCIYIAHFRFCB-KXACJBKOSA-N 551.470 7.088 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 100238410 RMBWUDIOCHKDKT-DVMDLWDRSA-N 545.463 6.334 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100288094 CPNAGIJHFCNCMU-CQSZACIVSA-N 532.262 5.655 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244424 PSWSGDGDLLRXLK-NLTRVXJZSA-N 521.564 6.333 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 101335031 DKTNMXDBMGQHGY-TWKHWXDSSA-N 605.720 5.362 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101361956 VQZFGRPFQAAIFO-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367417 YSUFPMOJWDZQGZ-XIFFEERXSA-N 576.649 6.890 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 101370439 XAPDNFXAJZQKGY-WGDIFIGCSA-N 533.422 6.164 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101375468 CMMXTCNHPNTDKJ-JCOAXYOVSA-N 574.649 6.775 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc(OC)c1OC 101379135 ZMDMLVCDRLQLQU-SSEXGKCCSA-N 599.039 6.382 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384082 VHTDPYLXZISMTI-HKBQPEDESA-N 536.559 5.916 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599326 OTWSVLYCBRQZOW-UXHLAJHPSA-N 534.332 6.092 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 103806449 BBJCUXSQDOMNDQ-BMKBIFAVSA-N 586.655 5.194 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 103878446 AGMWJWUCSUOKPV-WKULSOCRSA-N 533.378 5.965 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 103880110 YTSKYNSGEGLCTJ-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 103887282 ZOCRZHSAQYWUQD-IUXPMGMMSA-N 595.118 7.952 50 10 KKGE COc1cc(/C=N/N(C(=O)C2CCCCC2)c2nc3ccc(Br)cc3s2)cc(OC)c1OC 138975953 NOVBMMOVHYUOEI-VULFUBBASA-N 532.460 6.032 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 150428878 ISVLDHZOIBPVIJ-WJOKGBTCSA-N 631.512 7.726 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150429055 ZUAHPLQGAKMQJP-MGBGTMOVSA-N 665.540 8.227 50 10 KKGE C=C1/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 195875030 MDDUHVRJJAFRAU-YVZKUNPFSA-N 582.914 9.058 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(=O)OC 205476557 LACUDBFJBSQZIP-OFGLJWKKSA-N 514.867 9.166 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCCC(C)C 205657880 KZWJPZKAXGLWLX-ZKFFUIPMSA-N 524.617 6.347 50 10 KKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395807 YJENEVKHQPNJLH-WEDYXBIJSA-N 526.589 5.335 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1OC 206501846 GYWQZMPHDQPGJU-GKWGMDFUSA-N 506.599 5.325 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 234841857 NYSBFEICPUKQAO-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(OC)c1Cl 234992865 JIQMYXFLJPILLZ-JTQLQIEISA-N 505.453 6.428 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 235971768 LENYSKWUERVAQJ-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc2ccccc12 252622369 NTYCECDLHKACFD-SFHVURJKSA-N 596.498 5.465 50 10 KKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1 253320407 PREKUTBMXXHKSA-ICFOKQHNSA-N 511.388 6.209 50 10 KKGE Cc1cccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)c1 254523820 UARROWOKHAIUKI-UHFFFAOYSA-N 505.525 6.240 50 10 KKGE C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1 254841259 OEJRLCVFRKJJEF-GOTSBHOMSA-N 522.649 5.778 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 254856886 XMGLBPZWOKGJQK-UHFFFAOYSA-N 521.702 6.482 50 10 KKGE COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 261366793 RHVWKQBOHHILIJ-DOPJRALCSA-N 538.074 5.098 50 10 KKGE CCCC[C@@H](C)C[C@@H](/C=C/[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2OC(=O)C[C@@H]12)O[Si](C)(C)C(C)(C)C 642881468 FNKWBXQWAOGUTD-QWTBTINVSA-N 524.935 8.491 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 1083998141 DTPYKGKPJQQOIU-UHFFFAOYSA-N 652.567 5.699 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1083998356 UCBJLDFGBSHZBM-UHFFFAOYSA-N 558.772 6.108 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)cc1 1084099592 AZFTXQLGVXPGQU-UHFFFAOYSA-N 606.148 5.090 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084168444 LRLMXIVZOPYVRE-UHFFFAOYSA-N 522.026 5.238 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c(C)c1 1084183490 FVKXEJBYSSAIOJ-UHFFFAOYSA-N 560.561 7.671 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084501924 NREPUBZMXFLXMR-UHFFFAOYSA-N 599.687 7.261 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750107 UIQSZUSNTJIBQA-UHFFFAOYSA-N 534.827 6.345 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752123 UVRMEUUHNQXHJD-UHFFFAOYSA-N 541.604 5.779 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865693856 ZTWUZUOXBPELDC-XMMPIXPASA-N 569.475 6.191 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695343 NTZVBEWITVYADG-GDLZYMKVSA-N 536.632 5.948 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704445 VZDQPDOGGKRPNW-SANMLTNESA-N 531.443 6.598 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704568 YVVDUVNRVDGDCU-HHHXNRCGSA-N 579.459 6.745 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711626 CYAYTWMSNLYXJE-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)OC2CCCCC2)c1C 1866128374 NPKFBJJXTHCRFX-GHRIWEEISA-N 501.004 5.922 50 10 KKGE CCCC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866974520 RKHQAOPKAOCCNJ-YADHBBJMSA-N 502.478 6.076 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868300858 JGVPTQAPYOUZPA-SANMLTNESA-N 520.662 6.054 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868456251 MBBDGYQFNDGABD-AREMUKBSSA-N 526.616 6.158 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(OC)c1 1923070985 GBWSMSOKZNEMEX-JTQLQIEISA-N 505.453 6.428 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)s1 2029232450 IQSIUYMPWGOAEQ-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(Br)c1Br 2036568975 RNZMISNMSOPMCK-VIFPVBQESA-N 542.287 7.312 50 10 KKGE CCOc1cc(C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2042447938 VCEOWDUHLLZEIF-UHFFFAOYSA-N 609.420 6.222 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2053614574 YXWWYCZVWBVGCR-UHFFFAOYSA-N 685.643 6.582 50 10 KKGE FC(F)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085492771 RCVZNNUGKNLDMX-VIFPVBQESA-N 532.242 7.062 50 10 KKGE BrCc1ccc(OCc2c(Br)cccc2Br)c(Br)c1 2094090247 FQLXGCFKTFLUBP-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858333 NDWCKWASLOKSSG-OAHLLOKOSA-N 529.319 6.358 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(Br)cc1I 2207259443 AOKVZFUMWRTFOZ-GXFFZTMASA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)c(C)c1Br 2235610528 RFIQDSIJSAQIJX-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2280676091 AJHNTQCQMVCANQ-MRXNPFEDSA-N 525.904 7.582 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1I 2283583622 VRIKSQANXWZZJM-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1 2294619975 WDPZGBPMFPLJBT-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1I 2297710543 RDIBFPYCURDWIX-VWLOTQADSA-N 616.455 5.975 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630615 PEJVZFICZCQAEE-UHFFFAOYSA-N 508.430 6.930 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 2314572369 ZITHLTVMQZMJOS-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592357 RRIDVJROXSHVRS-XMMPIXPASA-N 504.011 5.722 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 2314634354 HNNJKYSCGZCYQQ-LJAQVGFWSA-N 540.616 5.847 50 10 KKGE CC(=Cc1ccccc1Cl)C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 2330481385 ZPRAMQRZSHIJPM-RUZDIDTESA-N 522.095 6.373 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 2331372002 YMKHNCDAJBOMEL-QHCPKHFHSA-N 501.608 5.939 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)ccc1Cl 2365220529 WBJHVMBCAUBSKK-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3C)C2=O)cc1 2671097 ZEQDHPQAFAFMTJ-ABPPERTMSA-N 504.011 5.722 50 10 KKGE Cc1cc(C)c(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C)c1 12491265 ZXJRXTISTLBLHB-OPEKNORGSA-N 504.222 5.819 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1C 38678826 XIJYSXZSAPLHAH-RUZDIDTESA-N 505.368 5.269 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 38686615 VSIUNQBJGGSUPA-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccccc1 40911088 NDUOBCMLTPSWKN-WKULSOCRSA-N 525.443 5.998 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 48573469 IYJGIVAGCTUIFL-FADJLKOXSA-N 528.656 7.180 50 10 KKGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc1CC=C 58895234 UIRGOHCETKJONW-MFSPXNBESA-N 501.421 5.105 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 59303714 KVJAQAIGOIMKAU-FMFFXOCNSA-N 516.601 6.322 50 10 KKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1Cl)N(CCc1c[nH]c2ccccc12)C(=O)CCl 97914384 JCFWCPUOXNUXOZ-XZLZDHACSA-N 500.470 5.867 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 100165432 QNQNECMWZRJAHM-UHFFFAOYSA-N 584.536 5.083 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 100181024 IBICMQYYYQGLFW-UHFFFAOYSA-N 593.110 5.239 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100186668 OZTVNUXSOOYHJC-UHFFFAOYSA-N 568.946 6.226 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 100231898 PCYJGDBPBIROKP-SLLOZXFSSA-N 529.406 5.530 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232711 XABRHVGVWGWBDR-UDWIEESQSA-N 536.382 6.189 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1 100237686 YNKFWTADBCRZCJ-ABZYITTCSA-N 576.406 5.372 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 101014608 QCAXRIFYIQJPJA-JLOKLLJMSA-N 595.725 5.904 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243959 KZZZKOQYWKFQQO-RZYCCMLOSA-N 566.510 6.696 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101244028 YZGUGUANYDKRPV-RNMXVCEXSA-N 576.516 6.151 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244522 DUEKCCTXXXVUCQ-OKBUYZRPSA-N 536.484 7.182 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1 101367436 ZARSBEOGQLKZFK-QJWGWKRISA-N 566.585 6.004 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101367840 GTVBNRADNSBSPN-JCOAXYOVSA-N 556.659 6.589 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101368095 INZCAXGWGQZVSJ-PMERELPUSA-N 577.077 6.737 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc(OC)c1OC 101370929 QSCYSCGHJIEIRU-JOCHJYFZSA-N 527.360 5.457 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379193 NTUPTADQDHPHBR-WJOKGBTCSA-N 567.041 7.144 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380638 OXSBAVUHNAWTHL-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381381 POSHHNAWBJPAFQ-HKBQPEDESA-N 587.459 6.947 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381825 FENICHLGZCLHEQ-GHRAFVERSA-N 546.623 6.419 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382801 OXOHMAVLVOSQPP-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101385985 DYQDNCHLYMTJRF-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1Cl 101388376 CHJATFRBSPXFME-PMERELPUSA-N 598.011 6.663 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101390895 HAQPPBKZGMAEJY-KYJUHHDHSA-N 532.552 5.229 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1 102934434 OLVDMCKAHQCOOF-PXNMLYILSA-N 607.763 6.125 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 103742459 GZSCILAKGYFHHU-QPSWJSTDSA-N 542.875 6.389 50 10 KKGE O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc2cc(Br)ccc2o1 103877690 ZMFBRJHPIQEGRZ-PGGKNCGUSA-N 523.126 6.434 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)c(Br)s1 128259967 XJRTWIREZFKFTR-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 150429386 RARMGALZUFLUJV-PCYMAAINSA-N 671.757 6.649 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433399 PQSHMSUJHOYFRZ-JGCGQSQUSA-N 677.537 7.434 50 10 KKGE CCCCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 150440781 WYHJEIJFLLRMNK-AVEIJRTDSA-N 646.789 5.069 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc(Br)c1O 160693005 JHFHKYWWQYXMIV-IBBHUPRXSA-N 635.565 6.142 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(OC)c1Br 161125990 VFLIPMNPCKLRBM-CYBMUJFWSA-N 543.875 6.476 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1ccco1 164017984 KQGWXCYHGNDWBC-KCSSXMTESA-N 656.702 5.437 50 10 KKGE CCCCCCCCCCCCc1cc(CO)c(O)c(SSc2cc(CCCCCCCCCCCC)cc(CO)c2O)c1 206704171 OEECVKGRZZGSJC-UHFFFAOYSA-N 647.044 11.809 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214334276 YYRXBMNGDJXMLI-AWXAQXEGSA-N 542.595 5.664 50 10 KKGE CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 248156347 ISXKXFGJQNACAU-ABSOCHFVSA-N 574.988 9.282 50 10 KKGE CC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530115 FYWPUSMWQOIDNY-IQQZJDRXSA-N 535.651 9.113 50 10 KKGE biogenic CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 254378155 DRQAFOWKOYCKBY-UHFFFAOYSA-N 507.675 6.173 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1 254479743 WVMHRRKAMWETCZ-CEOXRQEHSA-N 582.682 5.353 50 10 KKGE COc1c(Br)c([C@@H]2ON=C(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)[C@H]2C)c(Br)c2c1OCO2 254484623 VAGIKPSHXOMLKQ-CWTRNNRKSA-N 595.288 5.460 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc(O)c1 254493180 LYUPUHILAIBHND-UHFFFAOYSA-N 513.667 5.878 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(/C=C/c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 254568081 WUMPMFXIFJDDFE-IWZVKLOMSA-N 500.602 6.480 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1 254797622 IOGNNYCHVCMYHZ-UHFFFAOYSA-N 510.638 6.289 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3cnc4scc(-c5ccc(C)cc5)c4c3=O)cc2)cc1 254838066 CZJRGIGSVANFBS-UHFFFAOYSA-N 522.630 5.471 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1sccc1I 386665103 VZROROOJBOWDFD-JTQLQIEISA-N 522.427 6.262 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)(C)C)C(C)(C)C)cc1 616587209 POAWZRMUCRRNOS-LDRXULEWSA-N 848.027 8.673 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616673451 TWARCGQQNVGYOB-HHHXNRCGSA-N 511.899 8.377 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)cc1 616690340 MNGJSDSXMOBKIP-SANMLTNESA-N 507.772 6.786 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1 725418919 DIQPSGBKENCYEF-UHFFFAOYSA-N 541.493 6.179 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1083974741 WUWFWZWQUTZWPJ-HNNXBMFYSA-N 594.236 5.966 50 10 KKGE COc1c(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)ccc2ccccc12 1083984722 OVWXLACZQGTSRK-UHFFFAOYSA-N 504.373 5.836 50 10 KKGE COc1cccc(CC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1 1084158579 QYRLFCYZAJHVFN-UHFFFAOYSA-N 554.716 6.297 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 1084299686 UCJCCCNVTCIMGA-UHFFFAOYSA-N 666.741 5.844 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084337852 IIBNHPTVZCXHIL-SANMLTNESA-N 546.620 5.094 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 1084389305 JRYZTBCDWGLYHB-AREMUKBSSA-N 594.449 5.996 50 10 KKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 1084566643 VUINYIFZECYJTQ-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084606636 DMAVOQKGZVIYTK-MHZLTWQESA-N 620.371 7.426 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc12 1772760479 QJKNGYGTKFZTHL-UHFFFAOYSA-N 519.001 6.330 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](Br)[C@H](Br)C(=O)O 1848435898 JOLREBYKWXMPHC-ALTZYDRJSA-N 700.443 8.090 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865690467 RYJJFCDHWNZCCU-QHCPKHFHSA-N 513.395 5.919 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865696655 POXZWDYXFLBXJC-LJAQVGFWSA-N 522.649 6.774 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696997 MTWWBNMUEAATIR-OAQYLSRUSA-N 578.294 6.520 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865697664 YWQGSZUHZFCYAM-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703718 CWEQRMKCTQHZNS-AREMUKBSSA-N 527.024 6.419 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703769 FJBQQYAXGPVFSE-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)c1OCc1cccc(C)c1 1865704886 HAVRJTJJKVANHM-MUUNZHRXSA-N 506.606 5.662 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705591 ZRVFNGSGASNDEG-MHZLTWQESA-N 575.452 6.301 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706235 QXXPPOQNISSXNR-QHCPKHFHSA-N 531.931 5.526 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3cccc(C)c3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866648496 JTDFKWMRHVFICX-NDEPHWFRSA-N 568.655 5.366 50 10 KKGE CC(C)c1ccc([C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962581 BQZVRMPIMJGSSR-IZLXSDGUSA-N 515.679 6.195 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342144 LQDQXTMZNPRMJJ-GDLZYMKVSA-N 521.690 7.252 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NCc3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434260 ZJJFHWQBGKLUFT-VWLOTQADSA-N 541.080 6.399 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccccc3Cl)nc(O)c2cc1OC 1872727436 AWIXBDNTKOWZPU-WOJGMQOQSA-N 503.942 5.658 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749881 LMMXCCWEZPHLLL-HHUUSFLGSA-N 519.648 5.809 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1Cl 1872757447 GPCVAEHTLVJKPN-GFMRDNFCSA-N 520.010 6.351 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1OCCC 1872790026 FVICZKFQTNHYTD-OVVQPSECSA-N 524.686 8.339 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 1872793327 UVDMLAAAWYCHNV-HZHRSRAPSA-N 504.696 8.282 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893242056 UUDQOZIMINDRGP-ZDUSSCGKSA-N 523.050 5.839 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCOc2ccccc21 1923072847 SEOFXKCOJHSILQ-LDYMZIIASA-N 501.465 6.929 50 10 KKGE CC[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568160 CGJDYHZHHHWBIH-IMTBSYHQSA-N 517.853 6.907 50 10 KKGE O=S1(=O)CCC[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924615917 IKPJRAOZSAYZLO-XNCJUZBTSA-N 501.487 5.140 50 10 KKGE CC(C)(F)[C@@](C)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 2003229571 BSMSPTPOFURSKC-LDWIPMOCSA-N 519.869 6.948 50 10 KKGE CC(C)c1cc(C(C)C)c(-c2ccccc2[C@H](CP(c2ccccc2)c2ccccc2)N[S@@](=O)C(C)(C)C)c(C(C)C)c1 2080746309 DLRLCFOJDAMIJT-VCRWUWJOSA-N 611.876 9.950 50 10 KKGE CC(C)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497933 JQKWNOGZWUAKPV-HFJPGXAFSA-N 568.767 7.465 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(F)c2I)c1Br 2138873757 ZMEBMGQSKGTTJI-ZDUSSCGKSA-N 518.389 6.592 50 10 KKGE C[C@@H](CC(F)(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469269 UFXPKPKCWTZECT-MFXDVPHUSA-N 552.248 7.605 50 10 KKGE Cc1ccccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469781 WWGUVUJCININHO-GFCCVEGCSA-N 576.746 7.529 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2141473800 TXOHASNBWSWNSW-LLVKDONJSA-N 601.156 6.608 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Cl)cccc2Br)c1Br 2201077417 IEWPNQHQGBMSFQ-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Fc1ccc(CO[C@@H](CI)c2ccccc2Br)c(Br)c1 2206269029 TUPCLRIEYLZASL-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CCCOCC2)c1Br 2206400800 SKAFWBASUHCXDG-DTWKUNHWSA-N 598.793 7.379 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(Cl)cc1Cl)C(=O)OC(C)(C)C 2223376680 GCQULHSYXBYWLW-GOSISDBHSA-N 502.220 5.961 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509689 JXEDKWRLSMAEQG-SECBINFHSA-N 526.281 6.698 50 10 KKGE Cc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1I 2277958772 KYTRDZFGNSXUDN-AWEZNQCLSA-N 558.877 6.803 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2282893123 HKNULQPLXMRQMJ-SNVBAGLBSA-N 528.801 7.528 50 10 KKGE COc1ccc([C@@H](Br)c2cc(C)ccc2I)c(Br)c1Cl 2283554094 OBFYSMOFGCACDM-CYBMUJFWSA-N 530.425 6.508 50 10 KKGE CCn1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)nc1Br 2288346245 IOAOLXAIOXNCJJ-VIFPVBQESA-N 537.822 5.953 50 10 KKGE COc1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OCCOc1ccccc1C 2293163942 ZHYBPUWOLWDYGJ-UHFFFAOYSA-N 512.591 5.629 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2297491194 URZXXOGWEXOWGD-UHFFFAOYSA-N 501.302 6.593 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567331 JAJYACPCFSIEDX-UHFFFAOYSA-N 510.396 5.967 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571056 MGPNJLMIAUYVRN-UHFFFAOYSA-N 615.536 8.296 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 2314476401 NWTWZXVUYKMJET-GOTSBHOMSA-N 621.184 6.198 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NC[C@H]1CCCO1 2314477853 ATOJRGXYKVCBQV-MUUNZHRXSA-N 539.035 5.974 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1C 2314499801 HDTXPQZUMQZMJA-IBGZPJMESA-N 500.683 7.797 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@H](CC)C2 2314571275 CNRNFHOTTZFZBV-HNNXBMFYSA-N 543.472 7.552 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314594154 ZYGPWQUHFYZXFW-RUZDIDTESA-N 502.039 5.700 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616905 MOPVMTCHFFCFNP-UHFFFAOYSA-N 616.718 6.426 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314617426 YBSJBPFZNLJROE-UHFFFAOYSA-N 542.639 6.429 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314620006 JAIQLEXOCWNPKQ-UHFFFAOYSA-N 572.665 6.170 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 2314634411 PBZBIICDISLLAI-RUZDIDTESA-N 503.352 5.295 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634836 RYGSZAQKOVOCBH-WJOKGBTCSA-N 522.645 7.000 50 10 KKGE CCN(C[C@](C)(CI)OCc1cccc(Cl)c1Cl)C(=O)OC(C)(C)C 2317150097 ARHYKBWSQKZGEG-SFHVURJKSA-N 502.220 5.961 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(I)c(Br)c2)C1 2325371454 NHPVQLARMUKWHB-SFHVURJKSA-N 636.106 5.775 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)nc(O)c2cc1OC 2331044478 OTHBAKNQWFEMDB-UHFFFAOYSA-N 538.387 6.311 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1Cl 2331046595 YGWBTSCMEYAVEL-UHFFFAOYSA-N 508.018 6.969 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 2331239911 UCJSVCMEGXSRLQ-JOCHJYFZSA-N 513.619 5.711 50 10 KKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(F)cc2)cs1 2331344237 ZOJSMFHXNCGGCQ-UHFFFAOYSA-N 504.008 5.727 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc(C)c1Br 2336074494 GTYYYWHHBYQNCX-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(Br)c1 2340065861 XHZVWJQZHRJLSG-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Cl)cc(Br)c2)c1Br 2362220633 NHCWICMVUJNWPG-LLVKDONJSA-N 570.703 7.904 50 10 KKGE BrC[C@H]1CC2(CCCC2)CN1Cc1ccc(I)c(Br)c1 2377343858 OKMIIFZPJDHLMB-CYBMUJFWSA-N 513.055 5.583 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1 34696790 UTAMRCZEERYKJI-WJDWOHSUSA-N 515.816 6.553 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651508 FSIDIRCTHODGNE-DEOSSOPVSA-N 503.352 5.451 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 38684075 SKCPGPKRZDTYAD-MHZLTWQESA-N 518.997 6.355 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 38686571 PGJPYUWRUAFZER-PMERELPUSA-N 518.569 6.102 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OCC)c1 40867323 PFTXCYNXBHKNBU-PTGBLXJZSA-N 513.590 5.866 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccccc1C 40951268 XTIJGADTVDCNSJ-STBIYBPSSA-N 525.443 5.963 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 59154721 WDKUJOCINIZFSW-VUTHCHCSSA-N 506.624 5.340 50 10 KKGE COc1cccc(C(=O)N/N=C/c2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc23)c1 59463012 RCFUJRHMVOKVPY-FJEPWZHXSA-N 509.440 6.332 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1 97965523 YAPSWMFRNIAUFM-QJVAKYLESA-N 608.924 5.217 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)N/N=C/c1ccc(/C=N/NC(=O)COc2ccccc2[C@H](C)CC)cc1 100094250 FLKVGYDHAASNGI-QMPKASPHSA-N 542.680 5.772 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 100235839 XGECACVNIYTLMP-PCYMAAINSA-N 563.851 6.183 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(Cl)cc3)nc12 101115439 YLWWDLPCOPCWSK-VBKFSLOCSA-N 524.886 6.013 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245703 SYZGROJFFMZZNB-RAMZYJDASA-N 501.583 5.598 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340225 DTQQQSFVIBFTMU-WEMUVCOSSA-N 602.760 7.275 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101340801 NUPZVDNAYYANPO-CCVNUDIWSA-N 563.101 6.786 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)o1 101366912 CCNSJUZLTWCKRW-INIZCTEOSA-N 574.631 7.058 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 101368856 SSGSUQMKYDFQMS-QMXPJOHTSA-N 572.242 6.601 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5Cl)ccc43)cc2)cc1 101378559 DBLHZOZKIBEQBB-KQFACYEESA-N 583.471 7.718 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380012 BVGWITMXEDQPBG-MNAQKMTRSA-N 581.068 7.072 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101387684 RQPOUYRCIVOOJT-XIFFEERXSA-N 562.622 6.175 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389666 OUYJFVPFOAIKTO-PGUFJCEWSA-N 608.666 7.129 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101394837 ZIELTABTRDDYHC-SSEXGKCCSA-N 570.617 7.285 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101395798 HODUNNMJXHUJOJ-IHLOFXLRSA-N 556.615 5.474 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102401091 CNYYGHUEKNCFPD-RGEXLXHISA-N 543.557 6.314 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 102933826 WUOFVBCLVQRJHF-XMHGGMMESA-N 542.345 6.275 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742865 LTZHCCLVMABVHU-XCQFTPQJSA-N 587.326 7.129 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1 103796997 BSPULOZFHIWKER-KVSWJAHQSA-N 576.672 7.263 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 105626707 FYNSXYXRLVLMGL-GATIEOLUSA-N 537.153 5.647 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 150429474 NSZPZIUSZKLVMT-RDNGQCRJSA-N 640.372 7.306 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150432029 CSHQWLQFHBIOAY-SSEXGKCCSA-N 661.538 8.762 50 10 KKGE CCCOc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 161124668 QCADOWPMXNMZLK-INIZCTEOSA-N 541.903 7.247 50 10 KKGE C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 196775287 USBJDBWAPKNPCK-NEWJYFPISA-N 615.270 7.570 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 200458969 WBUHPAHBCMHESO-YXBYQVCNSA-N 575.039 9.815 50 10 KKGE in-vitro C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)C1=O 214352449 XBFCIKGDSZBTNM-RRAHZORUSA-N 520.633 6.277 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1 252603276 FPVXYCMSAIPCNC-UHFFFAOYSA-N 529.390 5.864 50 10 KKGE CC(C)(C)[Si](C)(C)Nc1nc(Cl)c2c(CO)cn([C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1 253496081 CFRVSHCYKCFJDI-ZRBLBEILSA-N 657.521 8.694 50 10 KKGE O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254310489 VJFPXILFDNQNLV-UHFFFAOYSA-N 547.571 5.556 50 10 KKGE O=C(NN=Cc1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254698543 NGZFAACJWUOIIG-UHFFFAOYSA-N 545.093 5.638 50 10 KKGE CCCCCCCCCCCc1nnc(SCC(=O)NN=Cc2ccc(OC(=O)c3ccc(C)cc3)cc2)n1-c1ccccc1 254706982 JKWYVRRJOSLFSX-UHFFFAOYSA-N 625.839 8.111 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C\c3ccccc3)nnc2-c2ccccc2)cc1 254878150 ZVHMLLWGBOMOBL-FIGCKISGSA-N 532.467 5.873 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)cc1 256018179 BMMXNGJYPSVJCS-GXBQEJFZSA-N 521.577 6.735 50 10 KKGE Cc1ccc(NP(=O)(N=c2nc(-c3ccccc3)n(-c3ccccc3)s2)Nc2ccc(C)cc2)cc1 263630602 DYXYHBQKPAGXJP-UHFFFAOYSA-N 511.591 7.451 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(I)c(Cl)c2)c1Br 313001543 UWYPWGPIJBWYIM-JTQLQIEISA-N 515.947 7.116 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1OC 725408646 CAQLSFZCURUFHX-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 725443765 KWYZGQVBYYPRMH-UHFFFAOYSA-N 613.567 5.793 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083817482 GEYKFJRDKMXPMQ-RPYCNASESA-N 702.964 7.691 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1 1084270884 QXBLAPYJOYUFDR-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc(F)c1 1084276284 VXCLMTFYTAFANG-UHFFFAOYSA-N 551.412 6.805 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 1084382423 IZTKZEWVNNJQDM-WOJGMQOQSA-N 516.222 7.189 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1 1084441374 SKOSLBBXOCBCKU-UHFFFAOYSA-N 568.048 7.597 50 10 KKGE COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084552275 ZTZZETIOHFXZGB-VZUCSPMQSA-N 657.029 5.300 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084553207 VOBUNIXLBNYDTD-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE CN(/N=C1/c2ccc(F)cc2C[C@H]1N(C)C(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1614300983 DQVQVGVZTOOOCF-WPUPOIFASA-N 532.469 5.428 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750089 TXQSCYAHNIJORP-OAHLLOKOSA-N 526.420 5.722 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 1772754184 DLXMVVLOROBVSI-UHFFFAOYSA-N 513.037 6.774 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682572 RTFRIOPYFDREGH-DEOSSOPVSA-N 532.959 5.332 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865696191 KQXGECGMNCFRMM-AREMUKBSSA-N 521.061 6.333 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865697688 ZJZXRYPJJNUHMI-MUUNZHRXSA-N 520.633 6.313 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Br)c1OC(C)C 1865698565 XOWCELPALZGLMS-VWLOTQADSA-N 571.475 6.624 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703513 XBYMFNGJDXTKFD-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705042 KNTAFRPWRQZSLF-HHHXNRCGSA-N 541.051 6.592 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750289 AITPRGPHTHWLAR-ROMGYVFFSA-N 521.554 5.327 50 10 KKGE CC[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568162 CGJDYHZHHHWBIH-RCOVLWMOSA-N 517.853 6.907 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1csc(Br)c1Br 1937735132 WEENQPLZJFAMLB-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Br)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2053512310 WOVLNLWGPSNBIS-MHZLTWQESA-N 659.005 7.996 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(I)sn1 2056487646 NDLOWKCIFWZVBL-LLVKDONJSA-N 506.960 5.142 50 10 KKGE CC1(C)c2cccc(P(C3=C[CH-][CH-]C=C3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080102818 ZDIKUGKRHOVUTN-UHFFFAOYSA-N 578.632 8.171 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1I 2086023691 OHPXMERSMFSAEM-VIFPVBQESA-N 540.873 7.215 50 10 KKGE Fc1cc(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 2122801474 MDGCCXAOFHNOIM-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2154374780 ZRVSQOCGQMCMGP-MOPGFXCFSA-N 514.689 5.477 50 10 KKGE Clc1cc(Cl)cc(COc2c(Br)cc(Br)cc2CBr)c1 2197969718 YDUXZBPUHGUPRX-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2207098808 YWGFKWIPNUXVHB-AWEZNQCLSA-N 658.191 7.978 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512283 NBJCJGRVYHEOLZ-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3ccc(Br)cc3)cs1)oc1ccccc12 2295956211 DPKVDDQVMFIDRI-UHFFFAOYSA-N 502.393 7.457 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2296506944 MLQBXZUHDUMLCQ-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE COc1ccc(OC)c(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2296751357 XYHKUIWMPFDPNW-UHFFFAOYSA-N 510.369 5.673 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Br)cc1 2313568051 OIECXIYLAJCIPM-UHFFFAOYSA-N 508.210 5.184 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1 2313571248 QQRMCIUEJZWXJB-UHFFFAOYSA-N 623.230 6.429 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314477828 AMDMGOMDNPCQON-UHFFFAOYSA-N 510.569 5.317 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(I)cc2)cs1 2314489576 RSWKGDJLINUEEF-UHFFFAOYSA-N 606.492 8.485 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314592794 BVQQROBKBQOKNW-LXFBAYGMSA-N 509.675 6.224 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593614 PXTWCPOENNCANB-VWLOTQADSA-N 536.484 6.298 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1Cl 2314618007 FTZNBJQPPDHOGD-UHFFFAOYSA-N 531.012 5.220 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620749 UIEUDCJURQJKNZ-UHFFFAOYSA-N 556.594 5.013 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(Br)c1 2331336143 PUTUEYIAUOQSBM-UHFFFAOYSA-N 517.420 6.935 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c([N+](=O)[O-])cc1OC 2331360171 KSRUBRZNUZXPBE-UHFFFAOYSA-N 501.520 6.478 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c5ccccc45)cs3)cc2C1=O 2331406428 LNQQPKZITDSLHJ-INIZCTEOSA-N 509.587 6.316 50 10 KKGE COc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2365840035 HLQCUFDEKBIVNW-NSHDSACASA-N 588.768 7.788 50 10 KKGE C=CC[C@@]1(CBr)CCCCN1Cc1ccc(I)c(Br)c1 2377313730 DNKAHWJTARZCKR-INIZCTEOSA-N 513.055 5.749 50 10 KKGE Cc1ccc(CBr)c(OCc2cccc(Br)c2Br)c1Br 2381136530 HKQCCBYFTRUAQZ-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OC(C)C)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 6167542 KRAFZMZSSIATFU-DYFYFGFVSA-N 621.756 6.015 50 10 KKGE C[C@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1ccc2ccccc2c1 8568583 USBHZXBMRDYYOM-NRFANRHFSA-N 506.635 5.664 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)[C@@H](F)Cl)cc1Br 31500167 ZWCLEORPOFXSKG-CQSZACIVSA-N 503.674 5.909 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651688 PRPSIZJTNDRXKE-XMMPIXPASA-N 503.352 5.451 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38684823 ZZIRKPFEDKQFPU-PMERELPUSA-N 512.606 6.021 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 38686587 NEHJSDUFSHBCLV-WJOKGBTCSA-N 518.569 5.640 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(Br)c(C)c1 40876470 PQGLWYVMAGTGFG-XDHOZWIPSA-N 512.787 6.468 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1 41013295 WPNQEIWRLDSPSK-CJLVFECKSA-N 502.636 6.933 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573472 HBMKDRGIWCUGGQ-KBVAKVRCSA-N 519.384 6.556 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 58889487 OCRMXJCVCDQHRW-RUPVGHTCSA-N 501.366 5.265 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100163471 GVARMZIFOQUKAB-UHFFFAOYSA-N 542.268 5.354 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1 100235303 VPUBDSXPNUUQGS-RLKJGOPYSA-N 580.479 5.661 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccs4)c(NC(=O)c4ccccc4)s3)o2)cc1 100919872 KSUQCALLKLPCBQ-OQKWZONESA-N 551.649 7.625 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246041 LCNMGWKGMPZVKT-HFVAWESISA-N 550.511 7.490 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246562 VQUZIAZFSVLUKG-ZBYZGLKJSA-N 566.510 7.190 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101335307 KGNSGTPDWPWVFU-LQKURTRISA-N 613.501 6.664 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101372339 APDSZJDLLVSZNP-HKBQPEDESA-N 577.077 6.819 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 101377908 FFVRATFSLXNRPJ-HKBQPEDESA-N 540.660 6.855 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383331 XYOPIJHWYYTDEB-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384177 HCHYJRBQZTXVPY-QRNTTWRNSA-N 548.570 6.250 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1Cl 101392216 BXCFEAGBFNGKKG-AREMUKBSSA-N 569.441 6.627 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101394190 GIQWTBAGKSWNKT-HHHXNRCGSA-N 524.529 5.028 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396847 GOEQOHXLLHAFOE-MHZLTWQESA-N 573.443 7.120 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101397196 WQNGGXDZQJWOGT-PMERELPUSA-N 609.550 8.569 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 101706861 GKEIFWALEIFFOQ-XIEYBQDHSA-N 570.487 7.380 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1 102230714 BIGHLIPRUKQFGM-MTJSOVHGSA-N 605.116 6.786 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 102456322 NURDQTUOLJCPMN-HKWRFOASSA-N 506.657 5.006 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C\c2ccc(OCCCCCC)c(OC)c2)c(OC)c1 102602835 WPOFEAUDGGSHFV-QLJBRZBCSA-N 543.620 5.385 50 10 KKGE CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1 103806498 WWIYBGRVGAQYOB-LQKURTRISA-N 547.662 6.557 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2ccccc2o1 103877067 ZGODXDGSWUGDSZ-RPPGKUMJSA-N 528.746 6.100 50 10 KKGE CCOc1c(I)cc(I)cc1/C=C(\C#N)c1nc2cc(C)ccc2[nH]1 103952396 AMKDQQJTHQRFQZ-NTUHNPAUSA-N 555.157 5.543 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118920945 HQCIIKWOMRRRPN-NSDFNNNCSA-N 521.624 8.723 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1 150382850 FFSJZSACFLRUOT-CNIQOEEMSA-N 643.319 6.750 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430222 QONCNZDDZGSWJC-XIFFEERXSA-N 631.512 7.482 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1Cl 150460811 FQZHRUGGTVVPBD-XIFFEERXSA-N 677.556 8.726 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150480677 FSHBOCXZHUKMSL-MUUNZHRXSA-N 622.302 7.772 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1 163802606 GKORXYKXZMSKKR-XAZZYMPDSA-N 657.156 8.216 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccccc1F 205668787 PPUKJMHULLMMIN-GVHZNUNBSA-N 548.570 6.250 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206701099 ITBGNSFNKXEFAG-BGRSOVBLSA-N 539.588 5.593 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214305838 IPPSJZINPKUMOF-USHMODERSA-N 536.632 5.511 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)cc1Br 235861868 NOIIJQZYJJNCBS-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2cccc(Br)c2)n1-c1ccccc1 252609520 HTVUQWBOWCDXAV-GOSISDBHSA-N 583.943 6.235 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1CSc1ccccn1 252635968 XDHJYGIKZIBBQV-UHFFFAOYSA-N 656.790 5.898 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253572664 QLLGNVWNBBPXOX-XPXRSFDGSA-N 526.478 7.071 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C\c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254291934 RVDKWYJDBBJASJ-KPVCSSHASA-N 562.493 5.881 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1 254405028 WMDCIKYRVLKGQW-UHFFFAOYSA-N 553.622 6.292 50 10 KKGE COC(=O)c1ccccc1Oc1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238251 RBSUBCAJDZEUDP-SANMLTNESA-N 603.018 7.298 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083816743 MHNHIGWCUNOEFZ-UZYORVLWSA-N 578.822 7.136 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817495 HKOFRLLVGWKTHV-IFLJBQAJSA-N 560.801 5.253 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)S(C)(=O)=O)cc1C 1083920927 ISNJLJADNJJTTK-UHFFFAOYSA-N 563.123 6.094 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083946781 VPCHTCTVCBWZJS-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Cl)c1 1083963632 LSTRHAJOXBDHKG-HZHRSRAPSA-N 506.433 6.137 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1084079988 RFSQDFLHRXFLBH-XMMPIXPASA-N 535.855 6.588 50 10 KKGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NN=Cc1c2ccccc2cc2ccccc12 1084114537 MJZMLELIYWUYCB-UHFFFAOYSA-N 569.614 5.249 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084330789 PLXJYQQCEWEKML-OVCLIPMQSA-N 673.088 7.393 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 1084414912 QYXJDQMQCLVFLL-UHFFFAOYSA-N 542.480 5.889 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4cc(Cl)cc(Cl)c4Cl)c3C)sc3c2CCCC3)cc1 1084497853 ZFDMGDZTZGURKD-UHFFFAOYSA-N 644.024 8.084 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748969 VCPPYFSWCFIGSS-UHFFFAOYSA-N 506.389 6.771 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865687737 ZDBMZVWWPAXQKN-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865689549 BXTGXTWNEPJXLT-MHZLTWQESA-N 506.606 6.004 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865691518 UTHDJQZVHCQMEB-HHHXNRCGSA-N 522.605 5.954 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695420 ONCMGPPPPJOPCM-HHHXNRCGSA-N 527.024 6.202 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697115 NLMIOXBTNSATCI-QFIPXVFZSA-N 557.876 5.925 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701327 SJDHCLKQLQAGPQ-LJQANCHMSA-N 578.692 5.986 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865702432 ADQLZJVZJRMUTC-GDLZYMKVSA-N 510.597 6.645 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1Cl 1865704077 MJZSLPKANOKHEJ-OAQYLSRUSA-N 567.395 6.670 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704251 RFMHRTZEZPMOHH-SANMLTNESA-N 514.988 6.083 50 10 KKGE CC[C@@H](C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958119 XTUWYCJYDLGJFE-CLJLJLNGSA-N 536.053 5.698 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(F)c2)n1 1868278134 TXZAZATWMLTFCY-SSEXGKCCSA-N 541.652 6.664 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1868300303 AVBOAPXNFWGTCT-XMMPIXPASA-N 520.687 7.720 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OCC)c1 1872755569 UEORSRWFGOFVFB-FLFQWRMESA-N 503.580 5.562 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(Cl)s5)cs4)cc3C2=O)c(C)c1 1872758037 IRNUZUQQTFVIHY-NKFKGCMQSA-N 518.019 6.892 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(Br)sc2Br)cc1Br 1901654108 NSEVWMFHRWMDFO-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1I 1923068471 RYKLPKJBXWPRRX-ZETCQYMHSA-N 544.836 6.998 50 10 KKGE FC(F)(C1CC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924568711 KNBQXUVSVYGFFP-LURJTMIESA-N 503.826 6.517 50 10 KKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)cc1Br)Cc1ccccc1 1931965596 PDIVHWFBDBKYBN-UHFFFAOYSA-N 502.294 6.483 50 10 KKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2049895433 JOVQCSFPLIVGBK-LJQANCHMSA-N 531.325 7.845 50 10 KKGE COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2054325766 NMIFFCWRXGCURO-XKURVTLCSA-N 518.855 7.804 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2069535312 UHCDRCBBCZLXBO-XAVABHTPSA-N 641.186 12.671 50 10 KKGE Cc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079251543 VRHDRWNKGVTOHU-UHFFFAOYSA-N 527.044 5.777 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(Br)cc1I 2086140224 ZGCNWYQJHMSXBA-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE COc1ccc(P(C2=C3[CH-][CH-]C(=C2)CCc2ccc(cc2P(c2ccc(OC)cc2)c2ccc(OC)cc2)CC3)c2ccc(OC)cc2)cc1 2086904045 OOTDIIYTFCXEPN-UHFFFAOYSA-N 696.764 8.094 50 10 KKGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467891 DQEFMAFAHHAMLI-RDDDGLTNSA-N 604.778 5.750 50 10 KKGE CCc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2141476493 BJSWGKYJZJBHFX-CYBMUJFWSA-N 536.283 7.220 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2156116735 MOKIKFIEWUSHOS-UTMSNSNXSA-N 557.918 7.687 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2CCCCCC2)c1Br 2206397540 KJWDNDJIAOZOQJ-SNVBAGLBSA-N 596.821 8.533 50 10 KKGE CCCC[C@H](C)CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2207146131 WYSRHZMJAOCRGL-JOYOIKCWSA-N 554.386 8.623 50 10 KKGE CN(C(=O)c1ccc(Br)cc1I)C1(CBr)CC(C)(C)C1 2207269434 RUFFHVZDOUSARE-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccccc2Br)c(Cl)c1Cl 2224305421 SABREUGLKBAFMR-NSHDSACASA-N 508.262 7.656 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc([C@H]2CCOC2)s1 2240427923 XMKWKVZXNSYAKE-BJOHPYRUSA-N 528.047 6.103 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cocc1Br 2260002944 VWWGDMCHPHHYFN-SECBINFHSA-N 509.764 6.330 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)c(C)c1Br 2264609986 QLVRIJIGNBGRMO-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(Br)cc2Br)c1 2277888999 MRAZMJVUIXOYGD-CYBMUJFWSA-N 576.746 7.415 50 10 KKGE Cc1cccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1I 2277956445 OQZQWZIPMMBKHC-CQSZACIVSA-N 514.426 6.647 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(F)cccc1I 2282895892 CJVUZPAQQVYUJL-CYBMUJFWSA-N 534.388 6.339 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)c1Br 2288488605 KFKTVGWAZVDPSO-NSHDSACASA-N 553.886 7.415 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=C[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293771957 DIMYHZDULFSWLS-CBUFXSHVSA-N 641.142 11.150 50 10 KKGE CON(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C[C@H]3O 2294818770 XZQBRLRNHXZLEG-UDIVUSEMSA-N 674.055 7.997 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790237 YMSWKELURQGEHO-UHFFFAOYSA-N 501.655 6.350 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)cc1 2296968788 GCBUUWKHEMAVFX-UHFFFAOYSA-N 507.634 7.097 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)C1=CNc1ccc(-c2ccc(NC=C3C(C)=C(C#N)c4nc5ccccc5n4[C@@H]3O)cc2)cc1 2297532120 SLFVAYAXFQWWPL-LQDDJWCHSA-N 654.734 7.648 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1 2313518194 RKRQTWFXONDWJO-UHFFFAOYSA-N 556.254 6.653 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592523 WJUKRJYBPRMUBK-RUZDIDTESA-N 578.488 5.921 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593158 IJIMOZBDNDHWRR-QHCPKHFHSA-N 552.450 5.183 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314618026 GAZSHAVKOOPQJM-MHZLTWQESA-N 536.632 5.489 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 2314736049 QPXLHOXMURJYDH-UHFFFAOYSA-N 509.027 6.970 50 10 KKGE CCc1nn(C)c([C@H](Br)c2sc(Cl)cc2I)c1Br 2316596180 AURKFEOQLPIWQH-VIFPVBQESA-N 524.447 5.549 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cocc1Br 2317422965 GWNJJZUIFDZOOJ-SNVBAGLBSA-N 505.801 6.499 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)OCCc2ccccc2)c1C 2329663778 PNGZCQPIVYBJQA-UHFFFAOYSA-N 567.461 5.941 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c2ccccc2)cc1 2331406549 YRBVFFLZHZOFJP-UHFFFAOYSA-N 516.622 8.014 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2362232606 PUYUFMCILZSYRB-ULHQUTTKSA-N 501.362 6.112 50 10 KKGE Clc1ccc(C[C@@H](CBr)Cc2cccc(Br)c2)cc1I 2362375355 JAFXKBNXTQFACV-ZDUSSCGKSA-N 528.453 6.503 50 10 KKGE CC12CC(C1)[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362901663 VNLMNUMRGAGGFU-SKDWKCJXSA-N 552.326 6.832 50 10 KKGE FC(F)(F)[C@@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2377311487 VZSUZMXGCSWISZ-GFCCVEGCSA-N 526.960 5.203 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)sc2c1CCCC2 3231213 JXHFOMUBWYVIMS-JJTZBBGQSA-N 578.134 6.309 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C 29491635 LNHPDIYWTNMJMU-SZXQPVLSSA-N 647.761 5.057 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OCc1ccc(Cl)cc1Cl 35263291 LOEVSXLFDLPYFS-PXNMLYILSA-N 514.321 5.740 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5)ccc43)c2)cc1 38686645 YEULDQKKRNJVJC-HKBQPEDESA-N 518.569 5.777 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] 40586673 UDLRCJYPLJWHDF-UHFFFAOYSA-N 500.298 5.159 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)cc1 40804743 NDUAOFKNLVWWCW-MHTZHOPKSA-N 503.558 6.125 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814574 IARNSVFYYVVNQK-TURZUDJPSA-N 515.353 5.455 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 58892035 JVPQBFRYOWESFZ-APTYXWLQSA-N 527.448 6.273 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 59304118 MLRCCVBCBGVUMX-KEIPNQJHSA-N 520.032 7.449 50 10 KKGE C#CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 59304456 PCVJMLAJRDLTDI-NDZAJKAJSA-N 512.407 5.991 50 10 KKGE CN(CCCl)c1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1 59859688 LIWHBVKVRDXQBM-CVKSISIWSA-N 518.057 6.336 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1nc2ccccc2s1 96401907 SJHILWMFIQPSHI-RGEXLXHISA-N 511.400 7.495 50 10 KKGE COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)ccc1OCc1ccc(Cl)cc1Cl 97997047 BNXLWEWLNVYOAA-IPPBACCNSA-N 585.473 5.769 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100151922 WKXKPILVONMGRS-UHFFFAOYSA-N 623.367 5.504 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 100206223 XECPSBRMTYSTLQ-UHFFFAOYSA-N 604.339 5.971 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 100232147 APCANEINNXODIG-SLLOZXFSSA-N 529.406 5.530 50 10 KKGE O=C(CCCNC(=O)c1ccccc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 100869565 KEMDVALNIGLHQA-MUFRIFMGSA-N 587.268 5.091 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OCC)cc1 101241829 CATYMYWKJGQTNW-JHGYQWQCSA-N 502.423 5.121 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245408 BONNJHIABHZPAD-UZEPBSNMSA-N 502.039 6.276 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245427 GAKAQFKRWZOPSZ-RAMZYJDASA-N 536.484 6.929 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101307088 RPRVCEYVCBSJPP-PRAQEBQASA-N 540.616 5.974 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101333838 ZCEMYNBXKHVOOO-STBIYBPSSA-N 546.602 6.258 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101336432 USWUUQOWOVMGHT-AJBULDERSA-N 571.681 6.686 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362634 UISFDSACNRGKHJ-DEOSSOPVSA-N 594.492 6.164 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccccc1Br 101370492 PHZUOTWMPDFPBW-NRFANRHFSA-N 526.730 5.448 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101372370 OFMKNDXTRROJLA-PVAZPRTOSA-N 584.713 7.369 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 101376166 FUQVBUUFJYOQMT-GDLZYMKVSA-N 533.024 6.276 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380721 JXYANUJQZLSATB-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382922 RCSMVMCRFGRGBZ-YTTGMZPUSA-N 559.021 7.510 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384545 SMCPYPCFGCTQIA-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 101397564 USYSAHKUYQLPMA-NDEPHWFRSA-N 607.877 7.672 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 101398521 UDCAKDOWDRLYCO-MUUNZHRXSA-N 607.877 7.672 50 10 KKGE COc1ccc(/C(C#N)=C\c2cc(Br)c(OCCOc3ccccc3OC)c(OC)c2)cc1OC 101468338 WUDWQWIEEFJISR-MOSHPQCFSA-N 540.410 6.005 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 101727448 DJESVNDWRSWBOT-XKJRVUDJSA-N 607.382 7.701 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 102006564 LGDWGGXTAYRBTL-FXMZOFOKSA-N 549.867 6.353 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc2ccccc2s1 102688090 AZULMCXCWBGJTJ-ULJHMMPZSA-N 528.612 7.931 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 103877776 IIDARLBWRYJDNW-OKCVXOCRSA-N 589.471 7.426 50 10 KKGE Cc1cccc(C(=O)[C@H](Br)[C@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)c1 105419012 QEXUXKWTVFNMTJ-LEWJYISDSA-N 526.224 5.938 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2c(=O)[nH]1 109562911 RUCYSTHDYIXUNL-MOHJPFBDSA-N 539.570 6.558 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 114980584 WEBPLKYXUOHWBA-NSHDSACASA-N 503.879 6.828 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1)c1cccc(Br)c1 118878815 TVHVZAYZSHKCSF-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433230 XXUXDBDUXAWIKQ-JGCGQSQUSA-N 651.930 7.827 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 150483464 DSRPJIXMNHTIJZ-MHZLTWQESA-N 633.940 8.878 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1 206416130 XDKXQASYDACKGK-MOHJPFBDSA-N 527.621 6.461 50 10 KKGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OCC 206692873 YUBMLODIUNZMCD-IZOTXVGBSA-N 530.577 5.318 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OCC 207295920 OJIYFPJOGYJWQO-LKFJRZABSA-N 506.599 5.323 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 214364497 QFKJJARZYFPXPB-BRPDVVIDSA-N 550.728 7.356 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 214368866 NYIGSGYYRBFMJA-IMRQLAEWSA-N 589.608 5.300 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214400673 CQZUHYRIZLATJJ-NVMPUMLXSA-N 600.719 6.870 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 234898346 NBXDRSURRDMVQC-CQSZACIVSA-N 503.843 7.011 50 10 KKGE CCOc1ccccc1C(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254290940 MKEGUKKMKHBTCZ-UHFFFAOYSA-N 508.530 5.288 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2OC)cc1 254307666 GUFPAZVAMHEQSJ-UHFFFAOYSA-N 524.573 5.574 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254462710 JOEITQHGWMRMIR-UHFFFAOYSA-N 504.583 5.646 50 10 KKGE CCC(Cc1ccccc1)=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 254477763 QQTBHLQDHIFOSP-UHFFFAOYSA-N 500.584 5.060 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 254697416 UPAKJDIKWMMGKD-UHFFFAOYSA-N 572.625 5.197 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccc(C)cc2)cc1 254699492 WWJDZIOMSTZTSY-UHFFFAOYSA-N 509.557 5.812 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N=CN(Cc3ccccc3)Cc3ccccc3)Oc3c2ccc2ccccc32)cc1 254738756 KXFORSBNWKDSPQ-UUWRZZSWSA-N 535.647 7.839 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(C)s2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 254742739 RYPYSEFDPKBWRN-SFHVURJKSA-N 528.700 5.459 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2-c2ccc(C)cc2)cc1 254846658 ZSMJKRXAAHBVAD-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE C[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@@H](Cl)CCC[C@@H](Cl)CCCl 256078411 FHKUUILMHIOLID-RXOWOHSCSA-N 579.779 11.131 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)OCCl 616576589 HAKLHBNFZXCEPO-HOYKHHGWSA-N 529.033 5.280 50 10 KKGE Fc1cc([C@@H](Br)c2scc(Br)c2Br)c(F)cc1Br 705440353 ZBWPIHNCUMNYSQ-SECBINFHSA-N 525.832 6.798 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 721614415 OYQBNYNSQUGRHW-CQSZACIVSA-N 560.849 6.309 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 721616667 VHKDUZSVTPWNAC-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721617206 WGKKFQJLFHSAIE-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)c1 725447127 UIIIUYWXVPDAFY-UHFFFAOYSA-N 512.517 6.474 50 10 KKGE CCn1c(Sc2ccc([N+](=O)[O-])cc2C=NNC(=O)c2cc3c(ccc4ccccc43)o2)nnc1-c1ccco1 1083917591 BRDWBPPNDQZARQ-UHFFFAOYSA-N 552.572 6.281 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)COc2ccc(C3CCCCC3)cc2)cc1I 1083940524 HNDXBECDPJLNTO-UHFFFAOYSA-N 593.465 6.319 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)Nc1ccccc1 1083954607 REEKAADTWKJPSR-UHFFFAOYSA-N 518.617 5.026 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1 1084003312 VVKOSJSSFAQYNZ-UHFFFAOYSA-N 576.925 6.542 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 1084126559 RSOZLRJKRYPDTD-UHFFFAOYSA-N 566.677 6.607 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 1084286945 NGIJKQOCVJWANP-UHFFFAOYSA-N 510.830 5.383 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)NCc3ccc(Cl)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084359580 NEKDYBIULBABJX-UHFFFAOYSA-N 647.968 5.706 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084376468 SQVULWNHKLXSEP-RUZDIDTESA-N 517.423 6.489 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084483338 NXERPOFSGIZHFE-UHFFFAOYSA-N 621.115 5.232 50 10 KKGE CN(C(=O)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615950935 UCWRTIVZOWFFGW-SOQJTUTGSA-N 666.500 7.310 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccncc1)CCC2 1772745953 NSQMSOLKSRBESO-UHFFFAOYSA-N 514.969 6.151 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748464 KVTYDYLYHUNIEF-NRFANRHFSA-N 549.646 6.697 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Br)cc1 1772760477 QHVCSCCZAKFUFI-UHFFFAOYSA-N 621.376 6.651 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865684933 BWDWSFCDDURRNV-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(Br)c1O 1865687847 BTGYQJXZEJYYFC-SANMLTNESA-N 579.454 6.777 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689835 XKLVSEKPCQUXLO-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865691484 TYYIGAARKBYZCS-AREMUKBSSA-N 561.469 7.252 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865691509 UKUCGLBBQCPKPY-LJAQVGFWSA-N 552.650 6.923 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(OC)c1OC 1865693219 SWTJQXDENBWRKW-HHHXNRCGSA-N 530.584 5.936 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694250 RTFOJXOCEJWMLG-RUZDIDTESA-N 547.442 6.862 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865695843 IBBARLKUGOOABS-VWLOTQADSA-N 548.565 6.840 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696985 MKHZJVXJBNIWGR-SSEXGKCCSA-N 569.105 6.776 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)c1 1865702788 FJPTYOHNYKRMDK-HKBQPEDESA-N 573.096 7.666 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704988 JQRXCJWTYJOUQW-AREMUKBSSA-N 506.562 5.271 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712189 RRPLBRVCDSEWRY-MHZLTWQESA-N 506.606 6.012 50 10 KKGE O=C(CCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)N(CCCl)CCCl 1866339725 PMZCQZSAJZMICY-UHFFFAOYSA-N 658.794 5.029 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866678739 BBSMYQIIGKWHES-NDEPHWFRSA-N 538.673 6.559 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866791348 BIUKUCZWKIAKCO-QFIPXVFZSA-N 523.705 5.731 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867071071 LHLGFSNRFMWSPS-VWLOTQADSA-N 558.685 5.396 50 10 KKGE CCOc1ccc([C@@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867205791 GTSBYBRQWVUDJO-VWLOTQADSA-N 522.070 6.367 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)nc2c1 1872728661 NFLCAWIRUMKFJM-BNMUCDHPSA-N 551.606 6.542 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1872753151 JFNNQJQPBPULEX-LCUIJRPUSA-N 515.635 6.638 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c2ccccc12 1872758917 WSLCMPGQUCVTPN-QOCHGBHMSA-N 503.967 5.844 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)c(OC)c1 1872793573 HOULKVCFGWSHOC-UDWIEESQSA-N 519.022 7.132 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2csc(Br)c2)c1Br 1922934235 DLUFZPAPXCMVMX-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CCc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924586532 YXHRAWRAPPGRPY-JTQLQIEISA-N 517.906 7.082 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cccc(C)c1I 2030218194 FRQRZQRXTKEVLI-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)ccc2Br)c(Br)s1 2050336192 VNPPBISQRVKIRQ-SNVBAGLBSA-N 518.894 6.477 50 10 KKGE Clc1ccsc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494575 MKMBRZJJPWXAHE-SNVBAGLBSA-N 603.193 7.936 50 10 KKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2086150039 WCDQQMBDWVOYST-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1ccccc1I 2087568982 BAGOYWDIZJNNFU-SNVBAGLBSA-N 518.389 6.525 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3c(s2)CCOC3)c1Br 2103246851 PYESYLWZTYRGLA-SECBINFHSA-N 551.945 6.654 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141467874 DJIGVBYWICZNPC-NSHDSACASA-N 617.220 8.244 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141476585 CRKKWCJOTMINKU-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142277686 SSOHHGGTMAXSCB-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(F)c1Cl 2142290314 ALTPPHLRSUWVRV-NSHDSACASA-N 522.352 6.470 50 10 KKGE Cc1cccc(COc2c(Br)cc(CBr)cc2Br)c1Br 2144186200 HJSIIELFEAFTSI-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2183919270 AWAMDEHPJHRAPC-GEHMTYFCSA-N 555.902 7.297 50 10 KKGE CC1(C)C[C@@](C)(CBr)CN1C(=O)c1cc(I)ccc1Br 2199542273 WFVYVIOLZTWVEO-HNNXBMFYSA-N 515.027 5.079 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2203002754 PWQUVMCNESONSZ-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE Fc1ccc(Cl)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406254 XGBUZLFVBIOLPP-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE Fc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(I)c1 2229153504 TZTORUCQRDJZQE-GFCCVEGCSA-N 518.389 6.525 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@H](C)N(Cc2ccccc2)C1 2234055607 CONXETDTTVPDJI-DZKIICNBSA-N 511.689 6.697 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 2241000242 GPKADUOKESAJFP-LLVKDONJSA-N 524.838 7.698 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(Br)cc2F)CC1 2255294291 CDIRKXLSXFWIKI-UHFFFAOYSA-N 528.200 5.310 50 10 KKGE CCCCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 2264371981 RVUDMBSLVQUKKL-OAHLLOKOSA-N 514.064 6.942 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 2293972394 KWBYLSOMHHWQKP-UHFFFAOYSA-N 595.583 5.094 50 10 KKGE CCCCc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296033226 PVHIWRRFSPUHRU-UHFFFAOYSA-N 506.425 6.998 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 2313543607 UCFHHBOZSYIZNJ-UHFFFAOYSA-N 508.224 7.354 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1C#N 2313567953 QJBXUQIZEVQIOZ-UHFFFAOYSA-N 532.644 5.520 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccc(Br)cc4)s3)o2)cc1 2314432742 FMIPETTZDXNLNJ-UHFFFAOYSA-N 638.543 8.634 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C1 2314475894 FEWNGVNCCGVVKT-DNQXCXABSA-N 586.739 5.544 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592267 PGPWBDPHAWDTEN-MHZLTWQESA-N 511.647 5.939 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314611752 ZYIFYAVWEYMAKE-UHFFFAOYSA-N 540.623 6.205 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 2314616474 BNVJHZBJHCBZNJ-UHFFFAOYSA-N 562.557 5.208 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617295 VNOVOGOKTJEKEP-UHFFFAOYSA-N 557.002 5.839 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314618200 JBTOZGCNRUSTJN-UHFFFAOYSA-N 538.648 5.654 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314620586 RMFOOGUPQMGBDF-UHFFFAOYSA-N 500.501 5.345 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314646892 SXUQJUFSFJNSCH-YTTGMZPUSA-N 731.230 6.697 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)cc2I)c1Br 2340064658 HDVXQEABBODNEP-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE CS(=O)(=O)C1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362228346 NIRQXOVKSCZRKH-LLVKDONJSA-N 513.448 5.407 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2c(Cl)cccc2Br)c1Br 2362229929 WJEWYHTVDBQNNI-NSHDSACASA-N 570.703 7.904 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1Br 2365192225 UXJDIEACBIJEQR-ZDUSSCGKSA-N 550.285 7.512 50 10 KKGE BrC[C@@]12CCC[C@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377334749 MBJVGWYLPXLBGP-CVEARBPZSA-N 513.055 5.583 50 10 KKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2553473 OYVLLIIWZGDLQX-PXNMLYILSA-N 504.826 6.805 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660888 LRLXOYFBCODYQQ-SLQAJWMNSA-N 522.532 6.209 50 10 KKGE CCN(c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc2ccccc12 40589304 SBZYYKNRAXEMJP-UHFFFAOYSA-N 518.577 5.971 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)cc1 40804504 WCTBEIYERBYKHF-FDAWAROLSA-N 503.908 6.291 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 40894472 HNYWSXHOEDLNBH-JJIBRWJFSA-N 522.557 5.067 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100189842 UXWJLOXOUDHHDJ-UHFFFAOYSA-N 570.322 5.774 50 10 KKGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc(OC)c1OC 100869924 YODNNPNKVHAEQI-QXUDOOCXSA-N 561.594 5.911 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1nc2ccccc2s1 101014390 MAAVGXJCWFBRTN-CLCOLTQESA-N 565.724 6.778 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101243254 INSFIMUXLILDJM-IBZPXFECSA-N 551.756 7.456 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244936 TVIPCRYEINWDCU-IDJUBOEBSA-N 502.039 6.276 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246726 MBZSDEXOMTZLOB-DBTLDAOKSA-N 517.582 5.298 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 101336244 QMAZJXALGGKLFJ-TURZUDJPSA-N 538.648 5.735 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101368283 GFOLYQQHVHUXQU-SMAAHIPSSA-N 579.480 7.264 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379074 GCSXNSNOABDGNZ-VTWXSQTASA-N 603.889 8.063 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380760 ZWDLCQWMPXERRN-AVFRELCNSA-N 548.570 6.250 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101387829 LWZXVIHNOLPCGH-NBLPZQPVSA-N 594.639 6.703 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389719 VZRMMGXSTRZQAG-DIPNUNPCSA-N 626.684 7.759 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396626 SOQJNVGHSLKGKH-QHCPKHFHSA-N 537.424 7.044 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2c1 101398592 AENMJGUYDPOEAG-HKBQPEDESA-N 577.036 7.719 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2cc1C 101398812 PLNRIUWORFELKF-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 102400603 FDIWKLYIRRMGNI-AQTBWJFISA-N 524.440 5.966 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC(=O)c1cccc2ccccc12 102935157 TZXHSTIAHQJSHG-QNGOZBTKSA-N 537.528 5.920 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 103736717 GGGSUXOWNLEZTR-MWAVMZGNSA-N 519.646 6.681 50 10 KKGE O=C(N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 150406515 RBUNTSOSNVYDFV-GATIEOLUSA-N 626.055 5.865 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Cl)c(Br)s2)c1 236069406 YUCCQPKDMSBMOY-JTQLQIEISA-N 526.846 6.906 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(Br)c2)cc1 252620952 MPUISLKBQINCFM-PYDUDBHFSA-N 525.834 5.090 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254625107 VSWQHWWIIKYDNH-HNNXBMFYSA-N 664.811 6.394 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)cc(Cl)c1O 254737931 XUSAZYBIXDKHDA-INIZCTEOSA-N 571.490 5.531 50 10 KKGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 254757177 CTXNYIFWWPRHQC-UHFFFAOYSA-N 513.623 5.109 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 254835477 LCWFGGRGPCAWET-UHFFFAOYSA-N 522.693 7.497 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@H](I)[C@]1(O)C(=O)O 255966324 CBVZKAGLPGRMNW-CGYQNGNCSA-N 709.105 5.774 50 10 KKGE in-vitro CCCCc1oc2ccc(NS(=O)(=O)CCl)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 255996218 QCNADTWLVZHBMF-UHFFFAOYSA-N 591.214 7.616 50 10 KKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)sc2c1CCC2 256018947 BNONKCPOFVNRHR-UIAACRFSSA-N 598.195 6.038 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)c(Br)c2)C1 382703228 DKEXKEDEFHHYGO-HOTGVXAUSA-N 518.164 5.375 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 503944071 OPYUSJFJMUNXDI-XWQHJKLPSA-N 978.338 7.930 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616586263 HKOFRLLVGWKTHV-AFDCHOCNSA-N 560.801 5.253 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590477 SAHJWPXTHJECLJ-GGJJTXTCSA-N 755.034 6.751 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC=O)CC[C@@H]3[C@H]12 725238044 BRZCKJCXWDGCIO-UWIRCACUSA-N 659.040 8.805 50 10 KKGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 725417037 ZPNUMOAEYDIQBV-UHFFFAOYSA-N 679.966 5.737 50 10 KKGE CC1=C(C)C(=O)C(CCCCCCCCCCBr)=C(CCCCCCCCCCBr)C1=O 888086013 SZXBZEDCMJOFPL-UHFFFAOYSA-N 574.482 9.583 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(I)cc3)cc2)c2ccc(C)cc2)cc1Br 1083953850 WJHZQXRWFZUMTD-UHFFFAOYSA-N 732.438 6.920 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1083999076 BRBNFSRSEHLSPK-LJQANCHMSA-N 672.549 5.492 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084010332 RRWZADRHHNOIFN-UHFFFAOYSA-N 562.645 6.954 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084012097 QLQSDCWAQWQSHB-UHFFFAOYSA-N 782.453 6.615 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1 1084048225 TXLDKZPVDZIHBT-UHFFFAOYSA-N 585.469 5.066 50 10 KKGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)c(Cl)c1 1084141830 WBOVNEGNAMDSJI-UHFFFAOYSA-N 524.198 5.813 50 10 KKGE CCn1c(SCCCC(=O)NN=Cc2cc(Br)cc(Br)c2O)nc2ccccc21 1084279169 ABUUXIQZBKBFLC-UHFFFAOYSA-N 540.281 5.309 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(F)c3)c(OCC)c2)cc1 1084394980 RLBVKSHCEKILTO-VWLOTQADSA-N 620.459 5.771 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3)cc2Br)cc1 1084464233 KWEOHYKCYYIFTE-DEOSSOPVSA-N 541.442 5.399 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1084481282 WHTSWZULSZTKLI-PJZGFVIBSA-N 509.694 6.526 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1cccc(OCc2ccccc2)c1 1084485248 LNZDEUBHPSIQHP-UHFFFAOYSA-N 518.205 5.320 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1084607042 BBPGAYOKKIKYEA-SGWCAAJKSA-N 534.635 6.068 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c(OC)c1 1772748094 NJSYSYYZDACLEV-UHFFFAOYSA-N 516.381 5.635 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749538 VPCRPVAMGBREGJ-UHFFFAOYSA-N 549.627 5.640 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2CCCCO2)C[C@@H]1C[C@H]3O 1848440643 QENLZIAWWAHCNU-KNHMHPIHSA-N 590.962 8.493 50 10 KKGE CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c([PH](c3ccccc3)=c3cccc[cH-]3)cccc21 1848441099 BAWOGBMFTXVVHH-UHFFFAOYSA-N 579.640 7.992 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685104 DCNBLOFCDJBKNX-HSZRJFAPSA-N 572.279 7.439 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685977 PQFBFGRPNVSIEV-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 1865686414 VOGHKAILJAOGTH-GOSISDBHSA-N 504.215 6.112 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865691255 NWUPBVSGTCZNAO-LJQANCHMSA-N 504.871 5.526 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1O 1865695239 AKALMVDNNUXKCT-OAQYLSRUSA-N 549.812 5.888 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OC(C)C 1865696531 GZTIJQZSUQGKHP-VWLOTQADSA-N 512.997 6.207 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(C)C)c(OC)c2)cc1 1865697696 ZRZGVWYTQCXMNE-AREMUKBSSA-N 508.578 5.562 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702020 KVJZNAXIHMSLBV-IBGZPJMESA-N 522.205 6.251 50 10 KKGE CCc1nn(CC)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705231 PAQAFASIMPCELA-OAQYLSRUSA-N 513.381 5.218 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705537 YQTKJTLAUPIRLS-SANMLTNESA-N 508.553 5.460 50 10 KKGE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867143778 OIXGUWHTGLXHQZ-DQEYMECFSA-N 536.495 6.468 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4[nH]c5c(OC)cccc5c4C3)n2)cc1 1868527645 DQEUMMVCBFBMKU-UHFFFAOYSA-N 548.672 6.912 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1872745446 NEMLONQLEFMELT-FOSWXRMZSA-N 511.628 6.174 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OC(C)=O 1872753954 VXFDBUDCYFLQKG-PFZNQNGKSA-N 504.608 6.691 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OCC)c1OCC 1872758457 AVQDDTLEJUMKLL-QYQHSDTDSA-N 516.619 7.118 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4nc(C)c(C)nc4c3)n2)cc1OCCC 1872818309 WQAQFLIXQQFIDC-MEFGMAGPSA-N 500.624 6.898 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)sc1Br 1924034115 XFXWFKAACXPSKC-KBUNVGBDSA-N 518.894 6.670 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC23CCCC3)c1Br 1924569281 SKPZVFSKYKKSNX-XPUUQOCRSA-N 507.911 7.052 50 10 KKGE O=S1(=O)CC[C@@H]([C@@H](Br)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016683021 XPPUPZMOLABUDY-RDGATRHJSA-N 501.442 5.715 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC23CCCCC3)c1Br 2039006732 SGRRATIHECNKPO-VXNVDRBHSA-N 521.938 7.442 50 10 KKGE COc1ccc([C@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@@](=O)C(C)(C)C)cc1 2080758676 GHNPMEYVIRKQLF-JKBOOSBQSA-N 647.821 8.368 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2137640860 AYCWLHQRXNUJNE-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Cl)cccc2Br)c1Br 2201064418 JIFFAUPHARWHEU-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc(-c2cccs2)s1 2205859509 LGURADKYLIUOHW-OAHLLOKOSA-N 540.083 7.328 50 10 KKGE FC(F)CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206400819 SOSPVEBYOFQCOB-GFCCVEGCSA-N 604.747 7.998 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2207106040 WLXOSDMJOIYUBM-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2C)cc1Br 2219008036 WUAQPNUULFCIDH-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2232583142 YMHGJEFRWZXVTF-ZDEZVYLVSA-N 608.710 7.761 50 10 KKGE C[C@@]1(Cn2c(CCl)nc3cc(Br)c(Br)cc32)CCCN1Cc1ccccc1 2234076593 WCBGVHNOIQPYEE-NRFANRHFSA-N 511.689 6.355 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(Br)cc1F)C(=O)OC(C)(C)C 2255268594 JKGJKDUIXOUFTF-SFHVURJKSA-N 530.216 5.556 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cccc(I)c1 2263518876 KUTMUBLLQHIZNJ-CQSZACIVSA-N 500.399 6.339 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1Br 2288346452 JPMFYLNZVZDZQA-VIFPVBQESA-N 533.830 6.931 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295339070 DCIIYRFMHNCQHT-ZDUSSCGKSA-N 529.867 7.100 50 10 KKGE Cc1ccccc1N1C(=O)[C@H](Cc2cc(Cl)ccc2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2296507030 PTVKHWYCXRHPSG-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 2296507240 ZHZVOJPFAFSIBF-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1F 2313568443 SKSIPCDVCNNZOX-UHFFFAOYSA-N 556.375 6.262 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cccc(Br)c2Br)c1 2314456475 XHLJNKATDZAEAO-LJQANCHMSA-N 589.947 8.037 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@H](C)C2 2314570976 ADXHNCNJCCAGIR-AWEZNQCLSA-N 529.445 7.162 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C(C)=C(C#N)C2=O)cc1 2314616857 LFIDANMZKYSIMA-UHFFFAOYSA-N 606.682 6.919 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634613 OZWGHOWNXUETIM-HHHXNRCGSA-N 502.954 5.584 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1C 2331382546 FDCHKAKJMMWDFO-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c(C)c1 2331393214 YGKZWYKNAQKPHB-UHFFFAOYSA-N 505.599 6.481 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331474138 IRGLYMAPMFPMAA-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(F)c(Br)cc1F 2338722922 RQDCBYNVZRRWGB-MRVPVSSYSA-N 523.795 5.470 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)sn2)c1Br 2339657471 YGWLXWJIVGNVBD-JTQLQIEISA-N 534.893 6.232 50 10 KKGE ClCc1cc(Br)ccc1OCc1cc(I)ccc1Br 2341777815 CKDCTIZPFDFGJN-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE CCC[C@@H]1CC[C@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349809456 SYDGXFUSAWSESN-BNOWGMLFSA-N 500.056 6.576 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(OC)cc1Cl 2363541797 MRYJXYJFBBWEQW-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE FC(F)(F)C12CC([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363914811 YFXLHOVALYDFNG-LMDPOFIKSA-N 506.156 6.576 50 10 KKGE COc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2365835823 KPCDLYPPPQDHTK-NSHDSACASA-N 633.219 7.944 50 10 KKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368517386 XXPNUPZPRYPAFX-BVDAKZFTSA-N 596.777 7.130 50 10 KKGE Cc1ccc(CN(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 8557222 DEPHTQGMDQMPLY-UHFFFAOYSA-N 541.673 5.224 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14666961 MUISTTNJMDNJSO-UHFFFAOYSA-N 518.235 5.411 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3Cl)nc12 33306153 UBRBARFDVFZBDC-AQTBWJFISA-N 512.374 5.440 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650913 LCGFITXYUIFLDX-SSEXGKCCSA-N 522.532 5.607 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38676721 FMZBFBZERCNJQS-GDLZYMKVSA-N 508.961 6.499 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1c(F)cccc1Cl 38680720 KNTQTPNLFWSDBB-HHHXNRCGSA-N 510.952 6.435 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OCC 38683872 IRTBZIWQWVAKKJ-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38685416 UXABCKVHLMZSCJ-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccccc5)ccc43)cc2)cc1 38686308 FBXOQFYJTOUEDU-WJOKGBTCSA-N 502.570 5.940 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5Cl)c(C)c43)coc2c1 40826968 CHKHDJCQFNIYQE-NJZRLIGZSA-N 503.986 6.256 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 59528060 ZAVCPEPULSNMKX-QBHDBVHESA-N 531.943 5.694 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190783 PTWMXADXRACZGW-UHFFFAOYSA-N 597.535 5.384 50 10 KKGE CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100198311 PKQAFFIXJBUBCQ-UHFFFAOYSA-N 552.469 5.861 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 100235620 MZBUMNCMNYRQBE-PEHSQKLVSA-N 600.466 5.698 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101012394 NLLQPJHZQBXLDO-DXJNIWACSA-N 566.082 7.419 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 101036758 JRQSUCSRITVWGM-VWLOTQADSA-N 547.621 7.237 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244544 CJJLJHUENDDPPV-UZEPBSNMSA-N 546.490 6.637 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101335285 NNQAJVBMRGKCLJ-OVVQPSECSA-N 538.648 5.511 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101336017 VEYQYKWQSYFVSI-AJBULDERSA-N 607.110 6.791 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381145 TXDGOVCVBPYHRI-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(F)cc1 101389600 WUOGUTNHMVUXAN-UMSFTDKQSA-N 594.639 6.623 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1 101392926 INBUIHXWAHJQSF-MGBGTMOVSA-N 586.644 7.383 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCCC(C)C 101395801 IMCLDHFXCLLJMN-SSEXGKCCSA-N 552.627 7.002 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101398760 BENGCHHNQYWAHH-HHHXNRCGSA-N 617.485 8.364 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)oc2c1 101398852 OAGCPNQQMYDKHO-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399787 OGMCVPYYTBFPBE-ACHIHNKUSA-N 611.050 6.281 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1N 101531842 FCQVDEBJROYGRJ-UHFFFAOYSA-N 503.135 7.362 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 102832644 UAQIRSGBMBQGEQ-ZXSNDDASSA-N 608.091 5.795 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 110553978 NLIMJICKZYIDGC-NLRVBDNBSA-N 528.587 7.112 50 10 KKGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 150412582 JNVFBVHUOARHPP-OUBAOEEQSA-N 620.740 5.334 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2)c2ccc(C)cc2)cc1Br 164605658 FMRQCTUIHLECHI-KCSSXMTESA-N 636.524 5.624 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 164612039 KJJXCQICIVGEIT-ODNPBWNPSA-N 680.373 8.707 50 10 KKGE CC[C@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 169682108 MYLPOKATQGVMSF-KAAXPREGSA-N 644.617 10.347 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206505216 PGLCNTZUARCJMN-WZPWCSTLSA-N 558.631 6.098 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214358347 LINDCKJDOMHTLZ-PKAZHMFMSA-N 520.633 6.170 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214433252 XVJHLPPVZHFCCO-MIXAMLLLSA-N 596.684 5.055 50 10 KKGE C/C(C[C@@H]1C[C@@H](CC#N)C1(C)C)=N\NC(=O)CN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 230205039 KBXRZCKYAOFMGW-XKRUPGKWSA-N 573.698 5.415 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](O)C[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 248159536 KIELDCCFMKNOOM-RVTLCSQYSA-N 968.182 6.765 50 10 KKGE CN(C)c1ccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc1 252624227 PJMULWTXPXIROZ-UHFFFAOYSA-N 534.567 5.998 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)n2-c2ccc(C)cc2)cc1 254304794 SDGZVBOLUGTMAH-UHFFFAOYSA-N 533.657 6.586 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 254415509 SQSUDBMJRBGKJY-PWKBZBBGSA-N 594.643 5.431 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1 254734325 BTQVFTVTQZDYEC-UHFFFAOYSA-N 525.565 5.165 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 254749009 KKDGXZJKZDZPHA-UHFFFAOYSA-N 508.574 5.809 50 10 KKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254832883 SZZVTICHKLWCSS-UHFFFAOYSA-N 553.434 6.236 50 10 KKGE Cc1cc(=O)oc2cc(O[C@H]3O[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 256119664 VLGQRMASAAPPOT-KIJMVJAGSA-N 889.042 8.459 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1 263626433 GEFQEVUNJRPGNM-YUIRBLOKSA-N 568.580 5.171 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)s1 688147112 QXGZNNCGUHAKMD-GFCCVEGCSA-N 580.905 6.508 50 10 KKGE Fc1ccc2nc(CCl)n(-c3cc(I)cc(I)c3)c2c1 690397463 ZQSGXURRWKHMSN-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE CC(=NNC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725389980 GFBTXEHNRPGRDA-ZFASCNIYSA-N 516.110 7.329 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(I)cc2)cc1 725398243 KZUDNSUQBUOVJG-XMMPIXPASA-N 558.416 5.233 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 725447086 FEOJJMNABIGNEK-DJKKODMXSA-N 560.275 7.506 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(=O)(=O)c1ccccc1 1084011193 PLRIAKVQQXIVFA-UHFFFAOYSA-N 707.430 6.698 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Br)c1O 1084061633 YJCUBJMXGMLURG-UXBLZVDNSA-N 535.019 6.168 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084178079 FJNQHZAGRJDPCB-SNWHFVAUSA-N 527.138 5.919 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1084193187 WSWKPZXDGVETDL-UHFFFAOYSA-N 592.655 7.106 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084203442 WIXNPYGNSHMUOF-QGZVFWFLSA-N 518.400 5.981 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084314158 IEFPVYGEDBNCAH-XDHOZWIPSA-N 587.257 7.517 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084443975 SZFRYHRZKFLDHB-HXUWFJFHSA-N 670.580 7.209 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084560668 MUMDKPQHTAPQJR-UHFFFAOYSA-N 514.047 5.208 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 1084575114 OFOMAVCLNWZOHO-UHFFFAOYSA-N 531.077 7.374 50 10 KKGE COC(=O)/C=C1/[C@H](OCOCc2ccccc2)C=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H]1[C@@H]1COC(C)(C)O1 1307286681 MJRLFGKWDKEMSX-LVOAPZRFSA-N 672.891 5.291 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)cc1Cl 1772760627 ZOLFPMSQGQNLFW-UHFFFAOYSA-N 515.422 5.700 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684104 SXRVEAHXRVUHQY-RUZDIDTESA-N 512.013 5.545 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865690160 KFXHONNODGMTFY-HHHXNRCGSA-N 506.606 6.253 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690532 UCJYUVXPEMKDRT-PMERELPUSA-N 512.613 6.775 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865694834 CWCWLWJYLHRITP-MUUNZHRXSA-N 527.024 6.007 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695673 RDVLWZYGPBBHFX-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696632 PAGRJSRODDNEJW-JOCHJYFZSA-N 579.838 5.896 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698077 JTVMQPHQQRFELM-QFIPXVFZSA-N 541.421 5.409 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704498 XGCCNAHMRUCXAS-PMERELPUSA-N 533.031 6.844 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706107 NULDMNOVGVLVDA-XMMPIXPASA-N 549.414 5.846 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865706830 GNBUUZGIONGXPB-DEOSSOPVSA-N 549.984 6.789 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 1865706884 HUDCRAVBZMZHBF-PMERELPUSA-N 523.640 6.784 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215079 AOQFXWAHCALWPH-RCCKNPSSSA-N 504.608 5.780 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041287 YRCYLXFVNPTIJI-FCHUYYIVSA-N 557.539 6.314 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872790052 HMGZJGVXACBRLP-WOJGMQOQSA-N 517.876 7.868 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)N/N=C/c2cccc3[nH]ccc23)cc1 1873497169 MGPJUYUSHJEJDK-NWJTYWEUSA-N 510.638 6.585 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccccc1I 2036570920 FUHRMSGYQFYZFW-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE CCc1cccc(CC)c1NC(=O)CSC(Nc1cccc(Cl)c1C)=C(C#N)c1nc2ccccc2s1 2053623072 CWLFDUFCBSSRSK-UHFFFAOYSA-N 547.149 8.059 50 10 KKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)CC1CCCC1 2123371289 WLMSDLJYGJVVDH-UHFFFAOYSA-N 501.284 5.725 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)ccc2F)c1Br 2138853194 PWNMVICQTZRPAP-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE C[C@H]1OC2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141471156 OQIRQKONPOSEJO-MGYHHOBMSA-N 538.299 6.584 50 10 KKGE CCCC[C@H](CC)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478098 WOJNTIYHNYGWLG-RTHLEPHNSA-N 540.359 8.233 50 10 KKGE Clc1cc(Br)cc(COc2c(Br)cc(CBr)cc2Br)c1 2166827525 UMUPUCDNPLQIBS-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206396846 BMBUWPZGZPNTRK-SNVBAGLBSA-N 706.605 7.965 50 10 KKGE C[C@@]12CC[C@@]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206400144 PVCRRUSSNRCUIU-RDBSUJKOSA-N 596.777 7.132 50 10 KKGE CC(C)N(C)C[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2216422403 VLWGJJWSRFKAQZ-ZETCQYMHSA-N 512.931 5.682 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c(I)c1 2236105673 AKLKMLNEGGPTTG-LLVKDONJSA-N 523.887 6.094 50 10 KKGE CCc1cc([C@H](Cl)c2cc(I)ccc2Br)sc1Br 2255987529 BZZWMTGDWZXXEP-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cccc(I)c2)c1 2263517152 MSACOWAAJZFNJO-AWEZNQCLSA-N 544.850 6.495 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2)cc1 2293189858 QTKNNTAZYNWFNO-UHFFFAOYSA-N 557.027 7.010 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2293198299 ROCFEKBJOUIQPN-QFIPXVFZSA-N 556.844 6.307 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521393 KWLPQBLEOCWKJU-UHFFFAOYSA-N 583.382 6.031 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(Cl)c1 2313676803 ILGNOYKWSFUHJM-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314452892 RHZVOGCURJOHSH-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314571299 CTAPTMPBXSQANZ-UHFFFAOYSA-N 502.220 8.204 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(C)=C(C#N)C2=O)cc1 2314616709 HYJZLRDUMYPFSH-UHFFFAOYSA-N 647.757 5.515 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 2314617044 PQXPQEHDNYNHHF-UHFFFAOYSA-N 544.567 5.069 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314618075 GSJGEWSHTFQMKM-UHFFFAOYSA-N 566.617 6.504 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634407 OVXZRSMQTKMMED-HKBQPEDESA-N 593.507 7.798 50 10 KKGE C[C@H](CCCCCI)NCc1ccc(I)c(Br)c1 2325232125 ZAUXWCHJRDKFQC-LLVKDONJSA-N 536.033 5.527 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328835344 VDFLJRWIVMLXML-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(Cl)cc2)cs1 2331300394 ALJYXGCUGGZKLK-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 2331305228 FXBSYDUVVFIUQO-UHFFFAOYSA-N 508.643 8.029 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1OC 2331335677 DWSOJULQMPYSAI-UHFFFAOYSA-N 513.369 5.825 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331391859 PVHUJHIFACTPDD-NRFANRHFSA-N 507.999 5.894 50 10 KKGE CO[C@@H]1C[C@@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2333303790 SZSKLKGGQCHHPS-UZBVEPSZSA-N 582.750 6.598 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 2340799466 UCEZSFYSHVTIIR-MRVPVSSYSA-N 576.732 7.966 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C1(CBr)CCCCC1 2349856037 NGGQENAZZUKJLC-UHFFFAOYSA-N 501.044 5.583 50 10 KKGE Clc1ccc(I)cc1COc1c(Br)cccc1CBr 2352426691 WXXABJKWONWXPG-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2364072760 XJBMYXVVWAPKAV-QMMMGPOBSA-N 513.789 5.967 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cccc(Br)c2Br)c1 2366886837 BEJFEDHKMZZRLF-CYBMUJFWSA-N 501.871 7.587 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2380929543 AHFSDBDXLQPBOD-CQSZACIVSA-N 501.509 7.796 50 10 KKGE O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 3079960 SUAHCILZNYQEQD-RWPZCVJISA-N 548.349 5.259 50 10 KKGE Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 3112707 WOKGXAHUWKDHGN-FUGGPRTCSA-N 562.091 5.267 50 10 KKGE N#CC(C(=O)Nc1ccc(Oc2ccccc2)cc1)=C(SCc1ccc(OC(F)(F)F)cc1)SCc1ccc(OC(F)(F)F)cc1 33357948 ALFANJNZMPOTST-UHFFFAOYSA-N 676.660 9.817 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)cc1 38679236 LRDRQOONGVBUNK-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 38686314 PPGHDKMBKMLTBX-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c(OC)c1 38688461 UYMWCWSLVJZKEK-HHHXNRCGSA-N 510.546 5.813 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816065 PUVOBSRPBZJODF-MUGXBBEHSA-N 521.617 5.666 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573536 HWIIKJZKZKZATJ-CCVNUDIWSA-N 510.333 6.505 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 50552106 AMJVGGHCPAIBJI-UNOMPAQXSA-N 531.410 6.033 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 58890194 MWKAQPSHABECRX-PVEGLGLCSA-N 511.416 5.309 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 59305203 CMRIRDICBJECGG-FMFFXOCNSA-N 507.037 7.278 50 10 KKGE O=C(CCCNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 59507716 FJQBRENUGLTVCX-LQKURTRISA-N 500.824 6.024 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)c(Br)c1 100189816 BXGCIVDALKGLBO-UHFFFAOYSA-N 542.268 5.039 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1Cl 100238418 LNOSDKFJTLJIEO-DLOXVRGRSA-N 551.083 6.409 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101307524 RXTHBUBHFUDFSD-MHZLTWQESA-N 526.520 5.891 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 101362434 OVBZKIBNVWBBIK-PMERELPUSA-N 564.594 5.729 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc(OC)c1OC 101368655 BICDAIRPOUTENO-HHHXNRCGSA-N 530.577 5.185 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379585 FCALQKCKKKOALD-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380013 BVGWITMXEDQPBG-KTBRYMIGSA-N 581.068 7.072 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385648 ZBGQJTXUAGGJMR-YFLQASRXSA-N 599.470 7.418 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387058 HWDTYHNDTQESQV-QXDKDLNASA-N 583.015 6.904 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389399 PYIBWHQRYGLCSB-YOSUIBEXSA-N 597.042 7.294 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101389411 AGGBHWYLWANEFO-SSEXGKCCSA-N 581.556 6.149 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)ccc6c5C)ccc43)c2)cc1 101398225 ZSHZLRAWMVWLRY-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603744 QFNFVJYCYUBNED-ZCTHSVRISA-N 587.257 6.895 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C)cc1 101727157 WFMQYCYVMIKUTH-FJEPWZHXSA-N 596.572 7.101 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 102664498 CAQJZFQDUXGRQX-ZHZULCJRSA-N 527.558 6.614 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccccc2)cc1 102666408 OAUFOFXWQHPNLU-GUNDDFSMSA-N 565.573 5.947 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 103889896 YDLZXNWURRPKPQ-FRKPEAEDSA-N 576.230 6.618 50 10 KKGE CCC1(CC)[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 117316375 BASYOZBODPOKTC-VXGBXAGGSA-N 519.897 6.695 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150422108 MQFSGNLFKJFPAG-UHFFFAOYSA-N 625.372 5.872 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 163922287 PZYUXNCVENQWCI-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214349506 HKPMSHSSDOFPGF-FJXFDBCWSA-N 554.650 6.006 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 214376645 NOHNIYTUVQXFIP-FSGOGVSDSA-N 556.666 6.737 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214388054 KCHFOEMYBJJTJW-IDWIKUEFSA-N 670.725 7.793 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 233819015 MTYSBKHRWMVXGE-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)ccc1I 234912626 OTOULKWSONBNSN-CQSZACIVSA-N 578.839 6.448 50 10 KKGE C/C(=C\C(C)C)[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@@]21C 245189637 YRBTULYADOAUMR-LMHMRXBYSA-N 645.017 9.831 50 10 KKGE NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc3ccccc13)N2 252394297 FNTGWNHFSNXSHE-ADNQPUJWSA-N 566.104 6.434 50 10 KKGE O=C(CCCCC(=O)NN=C/C(Br)=C\c1ccccc1)NN=C/C(Br)=C/c1ccccc1 252616394 KADANKCNZXXABG-XTQWFEPWSA-N 560.290 5.623 50 10 KKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 252627053 RKZCCWVPUSWKOY-JOCHJYFZSA-N 673.113 5.961 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3c4ccccc4cc4ccccc34)c2=O)=C(C#N)[C@@H]1c1c2ccccc2cc2ccccc12 252668508 FFYULGJOUHATEZ-PGUFJCEWSA-N 582.688 6.474 50 10 KKGE O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 254626046 BRGSEDLYUQESEG-UHFFFAOYSA-N 538.585 5.247 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1OCc1ccccc1 254837150 SIGCHSNTHZGGOC-UHFFFAOYSA-N 557.672 5.167 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1 254838547 RKGMSFYRQXFYMM-UHFFFAOYSA-N 553.622 6.439 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccccc2)cc1OC 254851958 CCZQCSRHXGHOGT-VIXYBJQKSA-N 578.492 5.582 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)n2-c2ccccc2)cc1OC 254863089 GPKWEDIIWZGROE-UHFFFAOYSA-N 609.708 5.782 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2CCCOCCOCc1ccccc1 390666457 UKKWVWMPWLJTQN-UHFFFAOYSA-N 502.755 5.142 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Br 701098765 NXEVVIOHIZGVGY-NSHDSACASA-N 522.352 6.470 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccccc1 1083972584 GQYZLSQFGXEGDF-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1083997973 GARSWLCPZIEDAS-UHFFFAOYSA-N 514.401 5.320 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 1084082104 MRLKMZQXLFENPL-SFQUDFHCSA-N 501.797 7.170 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1F 1084198614 BBFAREADDPVVMU-UHFFFAOYSA-N 637.243 6.681 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccc(Br)cc1 1084418282 AAMMRBCHBFLEJB-JCMHNJIXSA-N 513.391 6.736 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1084486011 ADSIVQFGAZMICX-UHFFFAOYSA-N 529.847 5.800 50 10 KKGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1cc(F)c(F)cc1Cl 1084584622 BELXSBBXORJMGC-UHFFFAOYSA-N 518.745 5.104 50 10 KKGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084586185 CJVPKGGHDLKOFE-UHFFFAOYSA-N 568.482 5.918 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1F 1084606944 LEEODTJOICGMHB-UHFFFAOYSA-N 576.216 6.448 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C 1084644894 JRMKXPSMTIAZPZ-QGZVFWFLSA-N 504.881 6.449 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=Cc1ccco1 1565517423 MKKBQGZFFXADBU-QFIPXVFZSA-N 559.410 5.007 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)ccc2Cl)C1 1614624736 DUFHNHJTNLSJNH-PBHICJAKSA-N 523.720 6.146 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653271 HWUGKKJENZQXRR-KRVQGWEHSA-N 600.062 7.061 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCCc1ccccc1 1865688110 JRDQGMJFKAFZCZ-AREMUKBSSA-N 560.576 6.107 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688341 PREUHOZEYHTFBZ-NDEPHWFRSA-N 541.051 5.995 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690224 LUMLSTHEFIIMEZ-HSZRJFAPSA-N 520.486 5.886 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OCC 1865691615 WMMQVUMNBXXYDY-MHZLTWQESA-N 557.050 6.607 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691825 CEOOPVHDVKXIKE-VWLOTQADSA-N 528.996 5.496 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865693047 RBFIWLLTYXXEBC-DEOSSOPVSA-N 551.485 6.301 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701439 VSBLOGTWAXOPSW-QGZVFWFLSA-N 571.056 5.936 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865704099 NFBYEVGGRUXDHS-SANMLTNESA-N 567.860 6.947 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711916 LKHFEOZLYAWSFE-AREMUKBSSA-N 514.988 6.083 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714715 OFGOFBLORYXRSQ-MRXNPFEDSA-N 527.286 5.139 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)n1 1868342137 LEBHKEYSWQCMJP-UHFFFAOYSA-N 536.705 7.210 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414923 QJRMZZJMUNRIFB-DEOSSOPVSA-N 534.472 7.345 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872754320 NEPNSRIACWLCTP-ZNERZTHVSA-N 514.434 6.528 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 1872754955 RDJNQZMIIFAKLG-GYHWCHFESA-N 511.559 5.775 50 10 KKGE CC(C)(SC[C@@H]1C[C@H]1Br)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1877465199 OBHMHTYKPMFPLW-DLPLYFIVSA-N 504.446 5.274 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)ccc2I)c1Br 1922945068 CEZRXTWJVGYZKP-JTQLQIEISA-N 585.324 7.277 50 10 KKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 1924616367 OATILDUYDZKIMF-VDTYLAMSSA-N 529.864 6.907 50 10 KKGE C=CCN1C(c2ccc(Cl)cc2)=CSC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2052963821 FBXRCXMYUKRYPH-UHFFFAOYSA-N 503.031 5.183 50 10 KKGE N#CC(C(=O)Nc1ccc(Oc2ccccc2)cc1)=C(Nc1ccc(Cl)cc1)SCC(=O)NCc1ccccc1 2053622547 DLDIFMBBGQXETR-UHFFFAOYSA-N 569.086 6.968 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 2085493492 CIZQKWKJFXLURT-INIZCTEOSA-N 674.872 8.861 50 10 KKGE BrCc1cccc(OCc2c(Br)cccc2Br)c1Br 2094094092 XVDKYTPADZISLG-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(F)cc1I 2137642810 MELUUTUXYXFITC-CQSZACIVSA-N 518.389 6.639 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 2137661952 HVHWTHAKRZHWAX-LLVKDONJSA-N 509.872 7.026 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCCC[C@H]21 2141470812 LAMOTYPDGVWGJM-CWPPXLLWSA-N 536.327 7.453 50 10 KKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1cc(I)ccc1Br 2150547602 YSASUZRQFOFIGZ-HNNXBMFYSA-N 515.027 5.127 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 2163314101 ULDOHEDHCLKPMB-QFIPXVFZSA-N 512.717 6.490 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@@H](Br)c2sc(Br)cc2Br)c1 2200838171 LZLHIOVPNAUAMM-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206399211 DMKHIWKFQPEMAZ-QWRGUYRKSA-N 602.731 7.608 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CCCOCC2)c1Br 2206400801 SKAFWBASUHCXDG-IUCAKERBSA-N 598.793 7.379 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2csnc2Br)c(Cl)c1Cl 2217617890 KOIKSWRDIBEKIZ-SSDOTTSWSA-N 515.279 7.113 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2238080643 ABSLYGBZHIIENH-CQSZACIVSA-N 525.860 6.393 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@@H]1CC2 2273356934 CUTWTHAHPCAKIS-HGDANNRKSA-N 536.327 7.597 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818776 ZGOPKSBMLRPLLN-MWOZWYLRSA-N 855.298 15.406 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=C(C#N)C(=O)Nc2ccc(OC)cc2OC)cc1 2295353393 JRRUSAUSMKBPCH-UHFFFAOYSA-N 528.996 5.823 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OC(C)=O 2297461776 XRKWUSIZZXLFIW-UHFFFAOYSA-N 523.364 5.677 50 10 KKGE Clc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(I)c1 2301795319 DYOUWPVTJIVSJB-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE ClC[C@H](I)[C@@H](CCl)OCc1cc(I)ccc1Cl 2307206561 LOJALXMOKXICPP-WDEREUQCSA-N 519.375 5.111 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556377 XMRXLSNYKVZNBV-UHFFFAOYSA-N 723.352 7.375 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(OC)cc1 2313631535 ROKHTKMCXFJYNM-UHFFFAOYSA-N 511.361 6.166 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 2313670576 HBUAJOMLVFOSCL-UHFFFAOYSA-N 521.411 6.371 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 2313681074 DVWIQVPZDAVFOK-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2314415164 ZMLWMRSZUCJIAX-UHFFFAOYSA-N 552.055 7.110 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2314487633 GTYWBRQVESVDEO-UHFFFAOYSA-N 525.637 7.050 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 2314618153 IGXGWBFVKWZYEO-UHFFFAOYSA-N 550.659 5.820 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618395 MUKGFEMVTSKQSO-AREMUKBSSA-N 570.693 7.380 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 2314634477 WYJZCNWSUTUAJI-HKBQPEDESA-N 524.617 6.266 50 10 KKGE N#CC(=CNc1ccc(I)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318454559 BGHSSGATUIBSFH-UHFFFAOYSA-N 548.428 5.044 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(C)cc3C(C)(C)C)n2)cc1OCCC 2331293400 GPEDYQRNSNJISN-UHFFFAOYSA-N 520.695 7.865 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354881856 CDJKPCHJMLPBQD-YVNDNENWSA-N 505.541 7.922 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364062959 DTQHERGCTWIHGC-MRVPVSSYSA-N 552.286 5.854 50 10 KKGE COc1ccc(C[C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2364188343 LTMFWTMGZXWRFP-SECBINFHSA-N 523.899 7.267 50 10 KKGE F[C@]12CCC[C@]1(CBr)CN(Cc1ccc(I)c(Br)c1)C2 2377349294 DFRYTPRIBJDPMS-GJZGRUSLSA-N 517.018 5.143 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 1471920 KJYDUCRDQDTXSW-VWLOTQADSA-N 538.069 5.794 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 33537555 RVCNZAZAXIFJJG-PDGQHHTCSA-N 508.328 5.491 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 33930024 PTNZVFJBRZASIA-AQTBWJFISA-N 506.312 5.431 50 10 KKGE CCN1CCN(c2c(CN(CC(C)C)C(=O)[C@@H](Cl)c3ccccc3)c(C)nn2-c2ccccc2)CC1 34829534 WTFNEBRYRKXHFP-MHZLTWQESA-N 508.110 5.287 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38659612 YTOKFBVFHJCRJL-LJAQVGFWSA-N 528.605 5.594 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 38686746 OPBMHIJEJSNWMW-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815562 UBCJDUJFLKQZFH-INKHBPHZSA-N 507.590 5.838 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174927 RUDUSZMMICYHKX-UHFFFAOYSA-N 568.649 5.137 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101336208 NQJJMCIEJBUQOJ-AJBULDERSA-N 621.137 7.179 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101337539 WYXDBEGYTCIMSQ-XLKFHUSGSA-N 529.556 5.801 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 101368948 LQBHZCQWAUAKRX-RUZDIDTESA-N 535.394 5.682 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OCC 101374510 ZEZHNMJUDJNFMQ-RDPPTWFYSA-N 559.062 7.145 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379029 WYKPOMAYPATPBL-PMERELPUSA-N 617.883 6.884 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381894 KBZQUMUQLQRDMI-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383381 URKGUVVBDVYKTD-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384405 IBWFDPFYRUCICL-PMERELPUSA-N 536.559 6.241 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101387297 KGFXVGVCOLWWMG-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387729 BQRNAJSBHQGNCC-ZVVDRXQSSA-N 593.079 7.463 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1 101392922 ORPHTLYGNVLYEQ-YTTGMZPUSA-N 572.617 7.075 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 101393615 LDZPKTRQCGPWET-XMMPIXPASA-N 565.807 6.603 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101395324 ZMVVYGFBZFZFFM-MHZLTWQESA-N 575.086 7.570 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398159 SUZHPLDZXAMMLB-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399982 MFXOSJADIKZNBZ-UMSFTDKQSA-N 618.661 7.912 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(-c6ccc(C#N)cc6)cc5)c(C)c43)coc2c1 101620344 MMHPMVCSNUVIID-PNFNHJRFSA-N 571.633 7.108 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c(C)c1Cl 101766210 ONTCVJXZAXDNBL-VFLNYLIXSA-N 524.846 6.251 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2ccc(OC)c(COc3ccccc3[N+](=O)[O-])c2)s1 102347927 KASMBQCEKKRXQL-PDGQHHTCSA-N 535.578 5.529 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)cc1 102401207 FREVVFOLKJSJHF-ATVHPVEESA-N 511.397 5.909 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 102666365 WBXKWOYQUXEBFR-CMCXOAPSSA-N 544.463 7.212 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789497 AMLZKMCQWZQAIW-KGENOOAVSA-N 615.753 6.700 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 103883170 SZRZFJGJIQTHSA-CIAFOILYSA-N 536.415 5.557 50 10 KKGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4cc5cc([N+](=O)[O-])ccc5oc4=O)cs3)cc2)n1 103953346 ZDCRCTRJHBDWIU-QGOAFFKASA-N 601.626 5.009 50 10 KKGE CCCCC[C@H](Cl)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920716 KPKQRYXDKNVKBO-SXANWQPYSA-N 533.281 10.127 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 150430884 LGFCMWJHGBWAOR-ABZYITTCSA-N 633.439 5.150 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 164019210 WDIXNQLNWGWFMV-BBUXEPKYSA-N 716.801 7.467 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc(I)cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 195808671 YEHMGENHDZLQDN-ZDKLUEKISA-N 656.512 7.549 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 205782165 VEJZVKMQDKNKSY-UPKGHWAZSA-N 630.682 5.211 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@H](C)C2 209398473 JLIBSZFNXIKHNS-PNWWAVQQSA-N 511.603 6.403 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1OC 234972034 FFBWUFYADSQZEX-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Clc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)cc1Cl 236045921 JWDAJUZBWACCEF-GFCCVEGCSA-N 534.844 7.039 50 10 KKGE COc1ccc(N2C(=O)[C@H](O[C@]3(C)C[C@@H]4[C@H](C[C@@H]3Br)C4(C)C)[C@@H]2C#Cc2ccccc2)cc1 252600407 DQUSZKHWPBFKMI-LEAZPBOXSA-N 508.456 5.436 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2cc(Cl)cc(Br)c2O)n1-c1ccccc1 254349334 NRKVQQFMAQTDID-MRXNPFEDSA-N 725.838 6.545 50 10 KKGE CCn1c(SCC(=O)NN=C(C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 254566866 OMMGUWTYJYOCOV-UHFFFAOYSA-N 511.695 6.562 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019893 KYSDFTDIRCIJQO-OJHZGXPISA-N 958.060 10.602 50 10 KKGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028498 PVXDSDCICSCUKT-UHFFFAOYSA-N 549.516 5.788 50 10 KKGE C[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@@H](Cl)CCC[C@H](Cl)CCCl 256078410 FHKUUILMHIOLID-OVUYMFTPSA-N 579.779 11.131 50 10 KKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(Br)c1 382698497 ZEGRTRJPQCNCPN-AEFFLSMTSA-N 514.201 5.545 50 10 KKGE C=CCOC(=O)C[C@@H](C[C@@H](/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 504509522 HOCCCCYDOXNZRG-LHZXLWIGSA-N 750.139 9.105 50 10 KKGE in-vitro C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 605693009 OWGWSEUEDPLMHW-MDFOLGTESA-N 645.130 11.166 50 10 KKGE C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 1083902873 RCKXHIZBKACPDC-QZTJIDSGSA-N 559.544 6.255 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1083987798 FRGYBWKHTFGXFO-UHFFFAOYSA-N 581.094 5.110 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084078468 KIYNFFLUTFJYBZ-MUUNZHRXSA-N 585.528 7.062 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)cc1C 1084091357 FVQKQKAGVYMJHN-UHFFFAOYSA-N 639.221 7.832 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1084133227 NRAIVVSCKZHIQP-XMMPIXPASA-N 682.309 5.904 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1 1084184785 CFDHAKZXBKXEAT-UHFFFAOYSA-N 629.920 5.175 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Br)cc1 1084223525 SXPSKRGLGQIXAM-HZHRSRAPSA-N 544.449 6.174 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084347475 LKEQXXLPIFHODC-MHWRWJLKSA-N 581.091 7.643 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 1084389306 JRYZTBCDWGLYHB-SANMLTNESA-N 594.449 5.996 50 10 KKGE CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=NNC(=O)c5ccccc5)(c5ccccc54)[C@H]3C2=O)cc1 1084404333 DKNJCXNFEYEIPD-OAMJZRBZSA-N 541.607 5.052 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084430731 PHJYNFYWRKBYNY-UHFFFAOYSA-N 572.422 5.802 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 1084493581 WVRIOZVGLXITHE-QHCPKHFHSA-N 637.312 5.995 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 1084628230 IGSKYZAKOLVDGS-QRVIBDJDSA-N 507.590 7.177 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1C#N 1084631623 NTGPXOBNVCJEEN-MUUNZHRXSA-N 527.621 5.237 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)c(C(F)(F)F)c2)C1 1614628711 YTNCSSMHNVMVAD-HOTGVXAUSA-N 507.265 5.632 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746198 RSJLOXUUHQVETH-UHFFFAOYSA-N 536.588 5.809 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683657 HEYONYMLMRWKBH-HXUWFJFHSA-N 518.242 6.171 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687302 OCESIKINDKKPTO-HKBQPEDESA-N 570.649 6.662 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688337 POYBLYYLENAKKX-NDEPHWFRSA-N 549.030 6.640 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865688995 GWGBHSUICZNDRB-SANMLTNESA-N 577.468 6.691 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865689281 OKKKIQDLDOMFIA-OAQYLSRUSA-N 567.395 6.670 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865697298 PVJSJNYJWFHIOJ-HXUWFJFHSA-N 577.401 5.955 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711690 FVYBXXRJPYHOAA-MUUNZHRXSA-N 552.631 5.468 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866935517 VKGHIBJWONVUSM-HKBQPEDESA-N 588.689 6.185 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868253892 XGFSVCOZOFSHCH-SSEXGKCCSA-N 521.690 6.869 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1OC 1868413639 CTPAXRDOZXLCIK-SQJMNOBHSA-N 574.106 6.833 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872751287 ACCDKSXDRVOJKH-VZCXRCSSSA-N 518.551 5.113 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 1872753866 QTZBFMDNKXANHC-QTEAAIINSA-N 501.652 6.624 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753911 UILLJXMVIBFGHX-XZHXWOGCSA-N 510.015 5.943 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccc(Cl)cc1 1872792616 IHWXDGVNLICMGR-LPYMAVHISA-N 517.050 7.741 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)c(OC)cc1Cl 1872793583 IIWLHVBDDMGFJJ-UUILKARUSA-N 507.793 6.022 50 10 KKGE Brc1cc([C@H](Br)Cc2ccncc2Br)ccc1I 1924017745 XCPLRYUZBCOGCH-SNVBAGLBSA-N 545.838 5.890 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2Cc3ccccc3C2)c1Br 1924596416 OELCQXLGLUYDOJ-NSHDSACASA-N 529.917 6.887 50 10 KKGE CO[C@@H]1C[C@@]2([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951250202 HVOWWFINYLJFLV-JHMDGNCFSA-N 509.883 5.897 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2csc(I)c2)c1Br 2024279950 SVSNBABHRJAJAH-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE C[C@H]([C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]12C 2070218156 XQYLJEMUWJOIKN-SYWYKWHHSA-N 651.039 8.391 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1ccc(Br)cc1Br 2083334471 NBIZYZHJRPWLCX-GFCCVEGCSA-N 518.268 7.112 50 10 KKGE Fc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2086150038 WCDQQMBDWVOYST-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE CC[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141470153 YTHZZPWDTNERLQ-STQMWFEESA-N 540.315 6.976 50 10 KKGE FC1(F)C2(CC2)C12CC([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2183919537 DOVVBSYNSJUUAR-RSSJWOLSSA-N 511.451 7.188 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCC(F)(F)C(F)(F)F)C1 2231728344 BLWSRSDBSBIRDG-CQSZACIVSA-N 501.274 5.186 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)c(C)c1Cl 2232527921 QGVWDPMADNOJDR-CQSZACIVSA-N 501.871 7.620 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(Cl)sc(Br)c1Cl 2255965749 YSOOHZCIKNIEHN-QMMMGPOBSA-N 500.385 6.889 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1csc(Br)c1Br 2277903567 UODWEFBDCAVADQ-JTQLQIEISA-N 509.872 7.026 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278020146 KNJSULRKKHPNGV-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283572376 CMCUNKBGIMVOOW-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198342 WMJCRUFJIUJRLZ-JOCHJYFZSA-N 522.424 5.093 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Br)cc1 2294619966 ULXPZWVQSIHHNR-UHFFFAOYSA-N 570.281 6.962 50 10 KKGE Fc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Br 2295334849 BSEYEKKKMHEXOZ-LLVKDONJSA-N 550.285 7.445 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1OC1CCCC1 2295623500 JUYMAABTGOFOLQ-UHFFFAOYSA-N 538.651 5.210 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 2296705958 CRZNOVVKFQEIEH-UHFFFAOYSA-N 558.613 7.202 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2297458628 NBLAPFZYMGEWCK-DEOSSOPVSA-N 532.463 5.234 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2297461644 UXEZNBRCTDQDSJ-UHFFFAOYSA-N 530.989 6.527 50 10 KKGE Clc1ccc([C@H](Cl)c2sc(Cl)cc2I)c(I)c1 2301798374 JBCIZLGLOSMPOA-JTQLQIEISA-N 529.395 6.592 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313631819 WKOSDXJLSOINDG-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3cc(Br)ccc3n2)cc1 2314487124 GWRAOYBRBBZJDD-UHFFFAOYSA-N 524.378 6.023 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccccc3F)nc12 2314534038 WNNSNTATMFDWCN-UHFFFAOYSA-N 509.324 5.787 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585847 XJAIONCONXPKPP-ZDUSSCGKSA-N 560.202 5.386 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593485 NSLWKWVIYWWEDZ-DEOSSOPVSA-N 522.457 6.621 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314620157 KYEHGNNEZOKKGJ-UHFFFAOYSA-N 558.638 5.700 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 2314643491 ZZSXNKBJTGNBIE-YTTGMZPUSA-N 583.015 6.904 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2340065112 UCCTULBHJBIXIQ-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1C 2362443512 AXBIFDSPVVBEJJ-SECBINFHSA-N 554.277 6.293 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)cccc1Br 2365190562 GHTNJVCSSJSRIN-ZDUSSCGKSA-N 550.285 7.512 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2OCc1ccc(I)c(Br)c1 2377592732 CEVYZUJMCICZTK-CXOGBFNASA-N 514.039 5.913 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 33379419 KBJZDBJWDIFTTF-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)n2)cc1 33568800 YXAWPVYPQKRUFB-RWZBNUHNSA-N 522.677 8.538 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 38683916 FQGDUUQVAXMWHL-SSEXGKCCSA-N 528.605 5.694 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1Cl 38688067 CAMMWONLJFDMDC-QHCPKHFHSA-N 513.352 6.359 50 10 KKGE Cc1ccc2nc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])sc2c1 40650524 LJAJMLIMNCELHP-UHFFFAOYSA-N 511.567 5.322 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813535 SUIICNNHQGAWDR-INKHBPHZSA-N 524.596 5.313 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 59181404 FYGZECRGQGTDKZ-JBASAIQMSA-N 510.406 5.029 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206120 WKJHDXDFXUCLJK-UHFFFAOYSA-N 566.279 5.998 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 100232159 UMQXGBJOIPVARD-QGFINPQDSA-N 561.476 6.544 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 100233490 PRQABASIZFJPAC-OVNXQDIVSA-N 610.332 6.706 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 100238454 CYBCPDAKTJHQJA-VJRIHLSISA-N 561.635 5.664 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 100452520 KCMDIKKXVMTPNM-BAAUMNHKSA-N 591.256 5.663 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 100474454 OUAJZFWNOFUFQO-WJDWOHSUSA-N 526.730 5.776 50 10 KKGE N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101033919 OKSFMNWRUKKQTH-QGOAFFKASA-N 517.522 7.302 50 10 KKGE COc1cc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337417 CZBHQVBEYNPQFH-KQBANSRISA-N 527.404 5.352 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 101339677 WTQJNTDIWAJTLC-STBIYBPSSA-N 586.648 6.158 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 101345049 XMMHJAIOHYDEJZ-NKFKGCMQSA-N 537.685 7.132 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101361577 XQCRJMBUAZPLIU-SFHVURJKSA-N 600.669 7.165 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)ccc1Cl 101363855 BZTYHZHAFIVJDE-DEOSSOPVSA-N 525.786 5.614 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101372439 JQRXDLWYPLUKHR-PMERELPUSA-N 563.050 6.510 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 101377960 ZWWAQCVIKIFALD-JGCGQSQUSA-N 554.687 7.508 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380193 DGQFIZPWXIGFAZ-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1F 101388851 FWGMYPKQYSYKLG-YTTGMZPUSA-N 566.585 6.006 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1F 101389088 LYUCEFARTGLZQO-UUWRZZSWSA-N 594.639 6.623 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399723 VPVYYJDYAVJVSE-AJQTZOPKSA-N 611.050 6.281 50 10 KKGE C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccc(Br)c1 101463972 CIZTYKOCKYGPJE-FSGOGVSDSA-N 562.537 6.627 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611813 JSSWGGHLKPDXFS-NDZAJKAJSA-N 558.418 5.194 50 10 KKGE Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)cc1 102143519 GQNLNWZYYNVBCB-MNDPQUGUSA-N 528.546 5.510 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103879538 JUQIUZXFFXTQHD-KKMKTNMSSA-N 603.223 6.218 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1 150430060 NJIDDNJBEXSZDG-AREMUKBSSA-N 672.990 7.216 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 150430895 LGFCMWJHGBWAOR-WGNDPNKDSA-N 633.439 5.150 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442119 LOZCKAXCQXWTBR-XIFFEERXSA-N 655.534 8.772 50 10 KKGE O=C(N[C@@H](CCSSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21 163638498 NCFXZAOAWVFTCF-AQOUDTPCSA-N 712.846 7.132 50 10 KKGE C=CC(=O)OC[C@H](Cc1ccccc1)[Si](C)(C)O[Si](C)(C)[C@H](COC(=O)C=C)Cc1ccccc1 170025189 UEEGQAUULCLARS-UIOOFZCWSA-N 510.779 6.097 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCc1ccccc1 205776564 NQIFANSWXFUNDM-GGERZJNLSA-N 680.786 6.343 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214235144 GOWRPAKIMXMCGH-RRAHZORUSA-N 585.730 5.352 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1C 214296198 FHBJKMAMOYJSRN-DIBXZPPDSA-N 536.632 5.431 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)cc1 252617512 KUQJHNZBPUCOJM-DCOXCSIBSA-N 546.115 5.954 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 252642680 ZOBWNAWPJDVOAU-TYQAGBRXSA-N 597.716 5.856 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1cccc(Cl)c1 253564304 GJCCTUUWEJXJQL-RUMWWMSVSA-N 518.105 7.070 50 10 KKGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 254630192 CFNVJXDCDBJHIU-UHFFFAOYSA-N 705.602 7.806 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 254742123 WTZTUGYREWPAQF-UHFFFAOYSA-N 510.590 6.075 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)=C/c1ccccc1 254816164 KFORXRHLBYSSTJ-NXMPDPARSA-N 514.676 5.624 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1 254874671 PTHRJMHUPXMQGY-UHFFFAOYSA-N 545.712 7.141 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 256112900 WBCAJQRDYWOKNL-VTEHLUFZSA-N 636.006 10.534 50 10 KKGE O=C1Cc2cc([C@H](Br)c3sccc3I)c(Br)cc2N1 311452299 SONPKQYZEFEFAF-LBPRGKRZSA-N 512.992 5.094 50 10 KKGE Clc1cc([C@@H](Br)c2ccccc2I)c(Cl)c(Cl)c1Cl 404847359 LOFPUIULKGGFRA-JTQLQIEISA-N 510.811 7.389 50 10 KKGE Cc1ccc([C@@H](Br)c2scc(Br)c2Br)c(C)c1Br 719615795 YPOLUCRBXYHTDL-LLVKDONJSA-N 517.906 7.137 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084046462 DHFNNGJPYMWUGS-WUXMJOGZSA-N 624.056 5.848 50 10 KKGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084066224 XKEZABQDQITJKA-KPKJPENVSA-N 576.015 5.918 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084102465 MIFKWCJYKWZWLQ-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE O=C(NN=Cc1ccc(Cl)cc1)c1ccc(-c2ccc(C(=O)NN=Cc3ccc(Cl)cc3)cc2)cc1 1084143270 UAAGSYOCEGNKDE-UHFFFAOYSA-N 515.400 6.188 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4cccc(Br)c4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084198670 XDFQDFVKYGYVKM-YIIWZEITSA-N 604.570 6.836 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1C#N 1084229049 LZYAWVAAENUGBU-MUUNZHRXSA-N 576.491 5.991 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(N(C)C)c(Br)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084308677 XMUZFKXBRRWYSA-UHFFFAOYSA-N 631.902 5.841 50 10 KKGE O=C(NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084328572 SYVFUXXTTLHNJP-UHFFFAOYSA-N 511.192 5.968 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 1084418933 GSBVQILPXAHEAY-JOCHJYFZSA-N 502.354 5.445 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1ccccc1Br)Nc1ccc(OC(F)(F)F)cc1 1614357465 ZJMFFLUGHQLCBB-JIDIRTRFSA-N 565.321 5.367 50 10 KKGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@@H]1Br)c1ccc(Cl)cc1 1615831905 IRHPAVCNBONRKT-YACPXZCTSA-N 665.212 5.890 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cccc6ccccc56)c(C)c43)coc2c1 1772752032 SXCPSLFDISLTKH-UHFFFAOYSA-N 520.585 6.723 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865681746 VUOYSFDGBHDDIK-HSZRJFAPSA-N 519.388 6.169 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688102 JMTTZFUGHPNPQB-GDLZYMKVSA-N 573.068 6.525 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690338 OWIUIWOWFSAKQG-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694437 VFXXTBTUJPGKNH-LJAQVGFWSA-N 520.633 6.329 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OC 1865695399 ODILDGNUNPZXPO-SANMLTNESA-N 524.577 5.182 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Br)c1OC(C)C 1865698651 ZNTIETGEAFLTFL-VWLOTQADSA-N 571.475 6.375 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699985 HZSBIJLNRRSGOQ-VWLOTQADSA-N 507.981 5.960 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701381 UJZNRRVBAGYLLT-QGZVFWFLSA-N 536.611 5.283 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701427 VMIUHKSBNZVQKY-LJQANCHMSA-N 562.237 5.472 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702843 GLWLMXMDKDWYTJ-MHZLTWQESA-N 579.915 7.641 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709555 CNHPXFBEXRAEFI-OAQYLSRUSA-N 514.339 5.428 50 10 KKGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1 1867196942 DBVSBYWMZNXUKT-UHFFFAOYSA-N 513.417 5.062 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)nc(-c3ccccc3Cl)n2)cc1 1868415581 ZMWAWQCEQONHBG-HKBQPEDESA-N 574.153 8.850 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)c(C)c1 1872757042 NZYQNLRTVHMGNK-UZYVYHOESA-N 517.876 7.803 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1872792408 WWHFXLMPBSLYLB-CIAFOILYSA-N 519.623 5.639 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2ccccc2I)c1Br 1922921811 VFQLHLTUBXAVBK-SECBINFHSA-N 564.906 6.865 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2sncc2Br)c1Br 1922930143 PIPUBQWOKIOBRQ-LURJTMIESA-N 510.896 6.285 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923054528 GSRXGQRUCZZDPN-SECBINFHSA-N 538.324 7.482 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1csc2ccccc12 1923068774 WGZJXDKKBPSTBU-JTQLQIEISA-N 501.490 7.626 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(I)c(Cl)c1 1924041890 XJSNUDHUSRRWJY-RMLUDKJBSA-N 515.414 6.342 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1924601237 KAXUMFNWNWCYHB-WTBMIXGQSA-N 505.541 7.922 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2030223774 VLOUTWMSDUASIA-CYBMUJFWSA-N 517.906 7.082 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1c(Br)cccc1Br 2033085229 WMFFAMLHLFBBCN-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE Clc1cc(I)c(OCc2ccc(CBr)cc2)c(I)c1 2126470600 GXVSIICKRVJLDH-UHFFFAOYSA-N 563.398 6.023 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(I)c1 2138243030 NDCSNZRDKZUPAG-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE COCC1(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469245 TZEZJDMQDGZGCE-VIFPVBQESA-N 540.315 6.833 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1COCCOC1 2141472863 IUWLNWYQNRJMCO-GFCCVEGCSA-N 542.287 5.680 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1cc(Br)ccc1I 2179637251 SGTKHEAVGOXYNH-GXFFZTMASA-N 515.027 5.127 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 2202346358 QDJLHWINPULQQK-AWEZNQCLSA-N 550.843 6.806 50 10 KKGE CC1(C)CCC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206395752 QDPZLSLTJAUDNG-AWEZNQCLSA-N 552.370 8.233 50 10 KKGE CC(C)(C1CCCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396313 VITPSOSLDPVCDZ-AWEZNQCLSA-N 552.370 8.233 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398927 AHUBCVKLHSPZOU-QPUJVOFHSA-N 618.805 6.140 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1C 2221824607 MCBLIXMYXKUCDT-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2ccc3c(c2Br)CCO3)c1 2241000369 HIYVPAFRXOVZLU-INIZCTEOSA-N 507.991 5.781 50 10 KKGE Clc1ccc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277958581 IDLKQYWXJJRRDZ-CQSZACIVSA-N 532.295 7.306 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1ccc(Br)cc1Br 2278023172 FOTYFQNHMQCLJH-ZDUSSCGKSA-N 501.490 7.579 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 2293198243 MPQWZCXUBLIVRW-HSZRJFAPSA-N 542.875 7.020 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(Br)cc2)N(c2ccc(F)cc2)C1=O 2293198317 UDISLMQFRACYLH-QHCPKHFHSA-N 536.426 5.962 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 2293727268 RFAITYXPNHKMPQ-UHFFFAOYSA-N 528.594 5.067 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 2294619921 MJPRPMFJWFLKIE-UHFFFAOYSA-N 511.803 5.913 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccccc2)cc1 2296507086 SQXLZUORQCZRJM-RUZDIDTESA-N 511.603 5.237 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)C(=Cc1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1 2296645819 DDVYXJANZGIVPG-UHFFFAOYSA-N 534.660 6.006 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 2313631729 UVQDPBPSWORSEH-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592790 BUZOWZGJDPORHG-GKVSMKOHSA-N 586.035 6.671 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593486 NSLWKWVIYWWEDZ-XMMPIXPASA-N 522.457 6.621 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594052 YGYCKROSYOMMHW-DEOSSOPVSA-N 539.579 6.164 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C(C)=C(C#N)C1=O 2314611664 YTORLAXEXZAKNM-UHFFFAOYSA-N 522.649 6.419 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314617353 WSCNQASYDVCRAZ-UHFFFAOYSA-N 556.666 6.470 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314618444 NQNXYRDDEILACP-JTHBVZDNSA-N 540.623 6.216 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCC)c(=O)oc3c2)cc1OC 2314751197 WBBFEZAKFNGWBD-UHFFFAOYSA-N 532.593 5.413 50 10 KKGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 2331312379 OMMQRQCNWOKRKO-UHFFFAOYSA-N 519.626 6.994 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 2331400633 DCSQUEAROWVTJG-UHFFFAOYSA-N 518.019 6.314 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336043908 JKFCKWUSPBIRQX-HXUWFJFHSA-N 563.486 8.067 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)nn(C)c1C 2365193431 HYNWFIVXOOXJPZ-JTQLQIEISA-N 533.859 5.948 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2csc(Br)c2Br)c1Br 2365234798 KFADLYPZMJPBIS-SECBINFHSA-N 612.801 7.599 50 10 KKGE BrC[C@H](COCc1cc(I)ccc1Br)c1ccccc1 2367272276 WYZUWABBIIROCU-CQSZACIVSA-N 510.007 5.749 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38683159 RQZMQIWARIEMMT-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38684010 GOJFZIQGHBHPBI-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2)c1ccccc1 40815575 PEVGYUUAGHSFSO-MHTZHOPKSA-N 505.618 6.243 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914967 UYRDMXWEPNBJLR-MUUNZHRXSA-N 515.094 5.674 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cccc(OCCc4ccccc4)c3)cc2)cc1 100242933 SHQRYOWMQTZNEJ-UHFFFAOYSA-N 535.644 5.933 50 10 KKGE N#C/C(=C/Nc1ccccc1I)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 100418860 MZAMDIZKLQNXRE-HKWRFOASSA-N 505.384 7.058 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc3cc(Cl)c(Cl)cc3nc12 100944317 HFTLRJVCBZZVAM-RPBOFIJWSA-N 568.288 5.799 50 10 KKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc2ccccc21 101014392 DUCXGYPMZVOQED-QQTULTPQSA-N 562.699 6.055 50 10 KKGE N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(I)cc2)cs1 101034007 DEKHDBSRZBHVAF-VBKFSLOCSA-N 524.343 6.178 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241231 GBTSGCHUCDTZFG-IEQIIXMPSA-N 518.038 5.481 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380981 CMEVHEBXVQSRAD-JGCGQSQUSA-N 550.586 6.170 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381670 RZRLOULOWWDXLM-HKBQPEDESA-N 532.596 6.085 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384756 BAONUNPSYKVEBH-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385844 ICVTZKKTEGTRIN-XIFFEERXSA-N 597.067 6.747 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385917 LAXYVWRANICZPL-XSJBNIOMSA-N 625.121 7.642 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386005 OHCMONSQWXUIKD-SSEXGKCCSA-N 569.013 6.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(F)cc1 101387193 NVFZPKKNAFXRIR-YTTGMZPUSA-N 580.612 6.233 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101387260 YFVUXMOEWATVFN-XIFFEERXSA-N 572.592 7.004 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c1 101387910 OJILRHHSFPEKKF-XIFFEERXSA-N 576.649 6.809 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cc(OC)c(OC)c(OC)c3)c(C)c2c1 101393498 OCDCZQMJWOEZIZ-MHZLTWQESA-N 540.572 5.767 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)oc2c1C 101397817 SRYDFQKWUPMZAM-WJOKGBTCSA-N 574.608 7.514 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 101670046 WUBBTAGOMZFTKG-HEPXYTLMSA-N 571.073 7.893 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1OS(=O)(=O)c1ccccc1 102143529 RBTBXDPAYZEFGF-NMWGTECJSA-N 603.678 5.118 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OCC)c2)sc2c1CCCC2 102791625 QVCMQWYBCBGUPA-JWGURIENSA-N 530.646 6.327 50 10 KKGE N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C[C@@H](CCc3ccccc3)CC=C12 103116552 SRQCPSKVQAEBDF-XFZFQEMNSA-N 524.422 5.008 50 10 KKGE O=C(N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2cc(Br)ccc2o1 103878613 SJLVBJHGDHXOMX-UVHMKAGCSA-N 517.339 5.870 50 10 KKGE CC(C)(C)c1cc(Sc2c(Cl)c(Cl)nc(NNC(=O)NC(=O)c3c(F)cccc3F)c2Cl)cc(C(C)(C)C)c1O 150342235 YUNHRBPMEJEDHT-UHFFFAOYSA-N 631.960 8.238 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 150398484 FFHPFHHCEVQDCO-FDAWAROLSA-N 628.296 5.277 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214257165 YMDVYOGMRVVMFO-LWVMSNLTSA-N 536.676 6.889 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214304290 MSHPQUFAEHNIJK-COEJQBHMSA-N 566.702 6.372 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214340991 KCZRDQUBWKLNKP-RTMNWEQHSA-N 554.650 6.525 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1 232344641 MOYPYCMDTBPYHQ-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3cc(Br)sc3Br)cc2[nH]1 236038723 PTWVJOJFJZIEEN-JTQLQIEISA-N 501.425 5.533 50 10 KKGE O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl 252607071 GXUOOOXGPLKCLX-NKZSFMNESA-N 508.155 5.732 50 10 KKGE O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)/C(=C/c4ccccc4O)NC(=O)c4ccccc4)nc3c2n1)/C(=C/c1ccccc1O)NC(=O)c1ccccc1 254293929 NSFMTNSQZOBLQC-BABGUESJSA-N 794.828 6.037 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 254396959 JZSKLNZQCZRTKZ-UHFFFAOYSA-N 515.658 6.312 50 10 KKGE COc1cc(Cl)c(Cl)c(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccccc3)n2-c2ccccc2)c1O 254402897 LENOTZQEMOZMEN-INIZCTEOSA-N 571.490 5.531 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)sc2c1CCCC2 254484917 SLKMQOJVBCJWNH-UHFFFAOYSA-N 599.665 5.273 50 10 KKGE COc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)([C@H]3Br)C4(C)C)c(OC)c2)ccc1NC(=O)[C@@]12CC[C@@](C)([C@H]1Br)C2(C)C 256019906 LTVFROHJLRLMRS-KBMPSKKFSA-N 702.528 8.427 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(Cl)cc1Cl 256028421 LBGIBIUKVHZKMD-UHFFFAOYSA-N 591.340 5.410 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1c(Cl)cccc1Cl 256028632 ZKOXHFADFXBSOY-UHFFFAOYSA-N 573.527 6.732 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 256827087 RKPWDVVMCBUEMP-FVLCUVFVSA-N 644.482 7.762 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(C)cc1Br 380262358 SUGFIGWULRNWIG-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE ClCc1c(Br)cccc1Oc1c(I)cc(Cl)cc1I 394699028 HHBKSBSPNQJTQL-UHFFFAOYSA-N 583.816 6.843 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504427185 FZJXXSXLNFVUGM-IFGRMLDDSA-N 563.705 10.182 50 10 KKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696715384 WTGZYPKIHJXDIA-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725423813 BCBDYMGFQPGIQT-ROCBYOHGSA-N 547.699 8.099 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083924679 MKEXTDPPENLXAJ-UHFFFAOYSA-N 544.073 5.119 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O 1083990550 FNBIQKFEEFEDQL-WUXMJOGZSA-N 514.159 5.164 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084194491 WUVRQTOYVPCGQZ-VWLOTQADSA-N 525.418 5.860 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084346111 QPMGSDCFTAIUJE-UHFFFAOYSA-N 661.611 7.569 50 10 KKGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084354959 GBBOPOJEZMYBDD-UHFFFAOYSA-N 579.878 6.076 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743774 IHAVGQNZHJCDFL-UHFFFAOYSA-N 557.448 6.304 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747685 PWZKRGVGEUKTMD-UHFFFAOYSA-N 523.405 5.147 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865687044 IBOQQHJQFLFXJW-DEOSSOPVSA-N 550.512 5.895 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865693255 IPSAEMQHCBQTEU-NDEPHWFRSA-N 524.596 5.829 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865694116 ULQLOFBSXNFGCF-XMMPIXPASA-N 512.997 6.208 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCCCc1ccccc1 1865696313 DGQDZAWCQWMPNL-MHZLTWQESA-N 574.603 6.497 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865696963 MAYWHCGXTSBRKF-SANMLTNESA-N 561.469 6.919 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703990 KHIYAKBAOHTQIN-PMERELPUSA-N 575.068 7.058 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710330 VPYDBTMCLREBIX-JOCHJYFZSA-N 544.365 5.437 50 10 KKGE Cc1ccc(/C(=C/C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866690832 CBILWXKLGXSIAK-GSJFZTJBSA-N 511.647 5.742 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(OC)cc4[C@@H]3c3ccccc3)n2)c1 1868504966 BMDBUWYBYOHJCW-XIFFEERXSA-N 571.706 7.630 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)N(c4ccccc4)[C@H](C)C3)n2)c1 1868504990 BUXQEQLZDSLCSC-FGZHOGPDSA-N 522.678 6.573 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccsc1Br 1899853508 UVKITPVGFNRABH-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1901948684 GAZFTLJHDMBCSS-LJQANCHMSA-N 506.653 6.366 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915298381 SHMFETSFEUSKOY-SFHVURJKSA-N 518.087 6.274 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1sc(Br)cc1Br 1922895618 XPGGFCPWGFUDPL-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923073687 ZJWJVUAWVDUEHX-LURJTMIESA-N 528.289 5.907 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(Br)ccc1I 1924044142 SYLLSEYBUZQULC-RMLUDKJBSA-N 515.414 6.295 50 10 KKGE Cc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579694 IROAECJYAURFJQ-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE FC(F)(F)COCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924591675 SSHPDXIHQXCIFL-SCSAIBSYSA-N 539.831 6.441 50 10 KKGE Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 2053612282 COYBCJHHDGOMHJ-SSEXGKCCSA-N 617.657 5.983 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085497058 DYCAPKUPDXHRMH-VHSXEESVSA-N 576.693 7.218 50 10 KKGE CCCC[C@@H](C)CC[C@@H](Br)c1c(Br)sc(Br)c1Br 2086056524 IPFGCSDCUPECPN-RKDXNWHRSA-N 525.970 8.078 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(Br)cc2I)c1Br 2086139612 QTPPYNHGOCRERZ-SNVBAGLBSA-N 585.324 7.277 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(Br)cc1I 2086139818 TZFLSYPTGFKGRM-MRVPVSSYSA-N 605.742 7.622 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3ncccc3s2)c1Br 2108679200 VJLNOZUEQWZOFE-SECBINFHSA-N 546.929 7.130 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 2125292327 HAKFYWWXAUNYCW-IBGZPJMESA-N 503.775 5.442 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1Br 2137641110 UHQRVGMDLIHPOI-LLVKDONJSA-N 554.323 7.182 50 10 KKGE C[C@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141468077 GFIJBKPELALVSQ-CLZZGJSISA-N 552.248 7.605 50 10 KKGE Cl[C@H](CC1C[C@@H]2C[C@H]2C1)c1c(Br)c(Br)cc(Br)c1Br 2141469316 UOZOABLSVJKWKH-SOCHQFKDSA-N 536.327 7.453 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2202996850 HZVVOFYNTKBTHF-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE O=C(c1ccc(Br)cc1I)N(CCBr)c1ccccc1 2207275444 LSSKWJCTXLWXOX-UHFFFAOYSA-N 508.979 5.095 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)sc2Br)c1 2217421434 WVECGYGJMUPQOE-LLVKDONJSA-N 550.879 6.670 50 10 KKGE FC(F)CCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2222475507 BHPVEHYUYPLQOM-YFKPBYRVSA-N 578.709 7.608 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)c(C)c1Br 2227349400 CFOWKIVJYHMIPP-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)c(C)c1Br 2227350640 IKSHDVZJHFVYML-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CC1(C)C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2234069137 QUBNBOWPFONBGS-HNNXBMFYSA-N 511.689 6.526 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(I)c(C)c2)cc1C 2236009963 PUDLQGVRHKUKPO-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Clc1sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2263449605 BBOWVPQEINJJEO-VIFPVBQESA-N 538.324 7.368 50 10 KKGE Cn1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)n1 2263518624 HAUNTUXAZFHFDY-JTQLQIEISA-N 501.842 5.386 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1scc(Br)c1Br 2264375969 ZFLPOCYXOZFCMW-JTQLQIEISA-N 509.872 7.073 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23COCC(C2)C3)c1Br 2273129679 FMSHKJGMALUOSB-BZCBFNEHSA-N 582.750 6.599 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)NN=CC=Cc1ccco1 2293701492 KMUWTXPJQRZQPG-UHFFFAOYSA-N 508.401 5.197 50 10 KKGE CC(C)NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1 2294172022 UUKLPOIKWDLYDA-UHFFFAOYSA-N 525.184 5.064 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc(C)c(CC)c2C#N)ccc1OCc1cccc(OC)c1 2295669949 PYVCETCRJNIVJJ-UHFFFAOYSA-N 501.608 6.023 50 10 KKGE Cc1ccc(CBr)cc1NC(=O)c1cc(I)ccc1Br 2296117529 BNBFWPFWCXAEIP-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1Cl 2296506900 KMGFTDBKQKMFKW-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE CC1(C)[C@H]2CO[C@]1([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2313362642 XTXZLPPNPXWHPP-RFSVNVOPSA-N 523.910 6.287 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1Cl 2313540675 OJPPLSLLBFOILD-UHFFFAOYSA-N 517.810 7.380 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 2313571552 YVFQBUIDAVVVSZ-UHFFFAOYSA-N 648.111 8.038 50 10 KKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314444185 MWLWOMQFTWKFGW-NRFANRHFSA-N 572.078 7.425 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314454202 DJUANCYYQLJLQF-GOSISDBHSA-N 529.070 6.317 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 2314476995 ZKWBDQGHFOISAX-UHFFFAOYSA-N 607.157 5.952 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314618962 XMCRZJXRNWWUFT-UHFFFAOYSA-N 601.062 7.157 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314619573 BRCQGJLJWAZWSX-UHFFFAOYSA-N 570.621 5.403 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 2314646591 DRYPAQAXFDPCLX-HHHXNRCGSA-N 666.731 5.392 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1OC 2314736973 FDIZZDKBEZVPLJ-UHFFFAOYSA-N 511.361 5.453 50 10 KKGE CCC(=CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329543429 STXCZXLJPPSWQV-SANMLTNESA-N 501.608 5.134 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)c1 2331246544 YTGQFDFXJRTWCB-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311874 IEIZKCCRWMRXAE-UHFFFAOYSA-N 515.334 5.504 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331347009 WLDBRHAPWBURML-UHFFFAOYSA-N 503.543 5.432 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc1OC 2331439700 CXAWBQBXIKFQBU-UHFFFAOYSA-N 503.849 7.478 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)c(OC)cc1Cl 2331471076 KTYKSASVXAPNCK-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 2333317128 PFXQUFDRMQZVJI-AGWHNDBVSA-N 585.002 10.352 50 10 KKGE C[C@H]1CCC[C@@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2349865389 QPCZAWKARQSUDL-LRDDRELGSA-N 500.056 6.578 50 10 KKGE Clc1ccccc1[C@H](CI)OCc1cc(Br)cc(Br)c1 2362237947 HJVGLWATGNETKT-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cnn(C)c2I)c1Br 2365222617 FOIKLEAPAXXVCR-LLVKDONJSA-N 534.417 5.195 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 1767469 GPCMEYDLSVHEND-SXGWCWSVSA-N 559.272 7.609 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 2397608 GZUKVOHJCNMDHX-HWBIBUKPSA-N 508.430 6.367 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c(Br)c1 14832350 YKEAKKNAMCYBFX-GOSISDBHSA-N 511.416 5.382 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 33861574 XPLYRNXFDKVZMT-HWBIBUKPSA-N 508.430 6.367 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc(O)c2ccccc2n1 34988522 XJUNFPHIAARXGV-PLRJNAJWSA-N 521.580 6.831 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 39858873 NTNNUJYTGFIUKQ-AQTBWJFISA-N 519.388 6.265 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 59160963 HRPOSAUMCFNAHV-WUZYOQQESA-N 517.629 6.020 50 10 KKGE CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59248172 XJRSFZTVHXPUHM-FRKPEAEDSA-N 509.816 6.855 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 100145635 LAZWXPWFMQHOBQ-RERXGJBUSA-N 558.638 5.828 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc1Br 100452025 DOPHKTICLDUNFO-KGLTWBCMSA-N 526.818 5.517 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113208 LDKRPCNKBAREFB-LQKURTRISA-N 524.400 5.078 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101295947 OGVBJCQXPZLLQX-HSZRJFAPSA-N 549.435 7.210 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc(C)c1Cl 101363586 PKSMCNSJRYQQLC-XMMPIXPASA-N 539.813 5.922 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380006 BVGWITMXEDQPBG-GFJKYASSSA-N 581.068 7.072 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381051 UKEKSMXMIGYEKU-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 101383360 ZFCSCQXTTVLDIA-GDLZYMKVSA-N 621.904 8.062 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1Cl 101385578 SRMUPGGOYLQEPD-GDLZYMKVSA-N 617.883 7.127 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385922 LAXYVWRANICZPL-JXNPFXPLSA-N 625.121 7.642 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387023 UBFGTHIAFFTYAG-HKBQPEDESA-N 587.003 6.269 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387768 CEKNKDPSESCDQD-UXKILADXSA-N 614.742 8.107 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 101397186 ZEHKDEGZLLAMBF-HKBQPEDESA-N 550.655 7.836 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1C 101727329 VFZKGYNGEMORRF-IPPBACCNSA-N 538.094 6.602 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1Cl 101907108 HUXCMLRMAQLHEZ-NVMNQCDNSA-N 533.647 7.517 50 10 KKGE N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102924145 OAUMGOHWNCWGIP-FMIVXFBMSA-N 513.304 5.703 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430237 DMJWFVAHODIDQK-YTTGMZPUSA-N 651.930 7.827 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 150475265 GOLIPRHVANJESI-QGZVFWFLSA-N 615.640 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150483127 ZOOJHJPQCMDJIT-HHHXNRCGSA-N 668.385 9.531 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(F)cc1 150486121 JFCIBZQBTLRDSS-VWLOTQADSA-N 642.508 6.311 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc([N+](=O)[O-])cc1 150625934 LQOYUJHVLMOLDP-AASFFQPYSA-N 628.473 5.712 50 10 KKGE O=C(Nc1cc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)OC4=O)c2)cc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)OC4=O)c2)c1)c1ccc([N+](=O)[O-])cc1 164226084 PBLGGZYMTUKNPT-UHFFFAOYSA-N 804.680 7.558 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 205664734 ZWDLCQWMPXERRN-QZEGILOGSA-N 548.570 6.250 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 205782444 WUBRIWHHOBXJNH-GYDLQOCGSA-N 714.775 6.183 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(Br)c1 233818573 ZPEQHCUXNFWWPE-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(Br)ccc2I)c1C 235818530 OVLOENZDRWNAJR-KRWDZBQOSA-N 508.035 6.772 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1CSc1ccccn1 252596534 CJYHKFAUFKTNTO-UHFFFAOYSA-N 562.489 6.488 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1OC 254485703 AIUISHVJPNZIKR-UHFFFAOYSA-N 562.717 5.284 50 10 KKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254608066 ULZUESRHSLDAAX-KCRBJVBLSA-N 530.675 5.242 50 10 KKGE CC(=NNC(=O)c1oc2ccccc2c1C)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254733869 KCBJAKBJEWAQBM-UHFFFAOYSA-N 503.374 5.667 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2 254800862 MIXNQMQWEZOJOK-UHFFFAOYSA-N 521.686 7.925 50 10 KKGE Clc1ccc(I)c(COc2c(Cl)cc(Cl)cc2CBr)c1 405301614 NZTCACNMGZIOEB-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE Cl[C@@H](COc1ccc(Cc2ccc(OC[C@H](Cl)COC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 504641181 VAZHIYOLCWXWAG-BNLBYEDMSA-N 869.929 13.267 50 10 KKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616692356 OGUKNMZVWBNUEG-MHZLTWQESA-N 510.795 6.723 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccccc3I)c2O1 720052643 NVFZNDLSLUPMCI-BJOHPYRUSA-N 507.991 5.861 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721583212 ATNKOSJIUWAIBN-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1OC 725404422 NPLCLAVKNGXDFP-UHFFFAOYSA-N 588.730 5.382 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 725439058 OCRMXJCVCDQHRW-OAQYLSRUSA-N 501.366 5.265 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 1083905472 YJYJSSOEDUXKBY-QNGOZBTKSA-N 517.412 7.670 50 10 KKGE C=CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084066300 SURSAWBNXYULBT-UHFFFAOYSA-N 555.166 5.137 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 1084067060 NHTPTASPDANIIP-UHFFFAOYSA-N 579.122 5.140 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084363188 IMVHGEHEIHEFSQ-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc3c(c2)OCO3)cc1)S(=O)(=O)c1ccccc1 1084421061 NYDZOQNXTWPEKX-UHFFFAOYSA-N 562.047 5.537 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(Br)cc1 1084571575 ZYAVPYBLSDCLGS-UHFFFAOYSA-N 541.037 5.656 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 1084592748 VBOXSUSDULQPRN-UHFFFAOYSA-N 577.718 5.056 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084641308 PVDWKQWBILGLHI-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](C)Br)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537961 CZPMLPQARRFNQN-RHOILUBYSA-N 537.692 9.728 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614631194 VCVZQDRDNVBQML-WMLDXEAASA-N 500.720 5.035 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)ccc1Cl 1772744179 ASTHBPHAWRYPIU-UHFFFAOYSA-N 515.791 6.002 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748608 ROPIQUKUFHQIEG-UHFFFAOYSA-N 506.389 6.771 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750161 WAAOGQNUOSWSMV-UHFFFAOYSA-N 543.432 5.992 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(Br)c1 1772755836 GILAJGUUTISJKG-UHFFFAOYSA-N 525.443 5.827 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687844 BQLAVVXCSGOLHU-HHHXNRCGSA-N 579.454 6.690 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865688201 MYLGQCPYVKCVBH-SANMLTNESA-N 504.977 6.573 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688378 QSHXOZPSITVDDJ-GDLZYMKVSA-N 520.633 6.329 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689929 GSXIAYDILYKFJR-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865690109 IWBMDPDQPXIXEN-SANMLTNESA-N 529.015 6.788 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865691715 ZITOQKHFOPMILF-QFIPXVFZSA-N 557.876 6.256 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccc(Cl)c(Cl)c3)cc2)cc1 1865692730 HRGCAWLPRHQPPG-LJAQVGFWSA-N 579.487 7.952 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695225 NAJJSXPMCBBTDT-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865695346 BTAVBURDUHPWAU-HNNXBMFYSA-N 576.156 5.893 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCCCc1ccccc1 1865696106 CFTFKIWBKYDCRT-AREMUKBSSA-N 560.576 6.438 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696493 GLFBUDROWITYGF-NRFANRHFSA-N 564.267 5.935 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)ccc1OC(C)C 1865697529 VTJPFCMVCLKSNQ-LJQANCHMSA-N 549.347 5.668 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865701201 OUSAJSLHEIZFHQ-NDEPHWFRSA-N 571.077 6.674 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865702102 MSBKNLAQNWEVLQ-NRFANRHFSA-N 556.222 6.966 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705037 KKONFBLRAIQYMY-VWLOTQADSA-N 514.944 5.470 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711565 BOHUWKQLUZEHGN-XMMPIXPASA-N 541.951 5.149 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccco3)on2)cc1 1866641055 NEFPAUNDGXFOPJ-OAQYLSRUSA-N 504.593 5.178 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866771972 PDDSUBCNUYRRMH-IZLXSDGUSA-N 561.773 6.763 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867206406 JRNCBGOWOIOLTK-IOWSJCHKSA-N 584.141 7.200 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)CC1 1868365361 PMIINAQZBVJMQD-UHFFFAOYSA-N 522.678 5.834 50 10 KKGE Cc1nnc(N2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)n1C 1868545082 QTAUJEDWXMQHNB-UHFFFAOYSA-N 539.713 5.521 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 1872755775 FJSNPJKENMUKAY-XEVDPLJKSA-N 516.233 7.692 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)oc1Br 1924568950 NUIDSOWLZPLZFU-LURJTMIESA-N 572.736 7.184 50 10 KKGE COc1cccc(OC)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924600999 IBZHNIRXIBOUEG-NSHDSACASA-N 505.453 6.381 50 10 KKGE Clc1ccc(I)c([C@@H](Br)Cc2ncccc2Br)c1 1924862768 YLOWAWIJRNDRMB-NSHDSACASA-N 501.387 5.781 50 10 KKGE Brc1cc([C@H](Br)Cc2ncccc2Br)ccc1I 1924870297 GXNOKOVKBREYLO-SNVBAGLBSA-N 545.838 5.890 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2048338451 VHWWRKZLKBLGMR-WHQQTDPMSA-N 521.938 7.298 50 10 KKGE Cc1c([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)nn1C 2067854086 ANCVFQDCJQLTTM-LURJTMIESA-N 586.767 6.324 50 10 KKGE CC(C)(C)[S@](=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1P(c1ccccc1)c1ccccc1 2080761916 NTSLMRQKMJNSQM-PWOCEFKDSA-N 607.600 7.624 50 10 KKGE Cc1occc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495139 HVJGRCRUPCNPES-GFCCVEGCSA-N 522.256 6.966 50 10 KKGE C[C@@H]1C[C@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2085496155 VQZQUFWWDHEMCG-RGORQWHNSA-N 522.300 7.063 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCCO1 2085497455 WQSSMSJVZDPAJZ-QPUJVOFHSA-N 526.288 6.586 50 10 KKGE Cc1sc(C)c([C@H](Br)c2ccc(Br)cc2I)c1C 2086154878 YDHTYYUKJRNYDR-CQSZACIVSA-N 500.037 6.525 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141470324 ZVGLMNKZJFIBDI-NSHDSACASA-N 661.671 8.353 50 10 KKGE Clc1cc(Cl)c(OCc2c(Br)cccc2Br)c(CBr)c1 2150488257 MKRZVSFNJBBDQV-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Cc1nc2c(cc1Br)nc([C@H](C)Cl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2153142428 CGCNLYJOWCTGNZ-IBGZPJMESA-N 539.905 6.273 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC2CCC1CC2 2206406056 UTYKWKFRVGVVPN-JOFUHTJGSA-N 550.354 7.843 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224312692 QWKDTBCMKUEPHE-QMMMGPOBSA-N 512.254 6.390 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)=Cc1ccccc1 2293715989 ILFWUHPRGANDGS-UHFFFAOYSA-N 523.706 6.838 50 10 KKGE COc1c(Br)cc([C@H](Br)c2sccc2I)c(OC)c1C 2295427759 IKGTWCFQGYNWSD-NSHDSACASA-N 532.035 5.925 50 10 KKGE CCOc1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OCc1cccc2ccccc12 2296113878 BERKAQFRBJHQNE-UHFFFAOYSA-N 532.625 6.985 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642429 DMXPKHGQUDHEGW-XSUDNZDRSA-N 676.210 5.021 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1 2313568434 SFPPJMQCERWTQZ-UHFFFAOYSA-N 634.255 6.637 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc(C)c1 2313571348 TZBXYKHAMDEHFE-UHFFFAOYSA-N 521.444 7.554 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592439 UAYRJKZFSAWVDI-RUZDIDTESA-N 546.490 6.385 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314618589 QCSUVIFERIGCBT-AREMUKBSSA-N 534.616 5.184 50 10 KKGE FC1(F)CC[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2335362622 BHMPPWUCYKZYGI-WDSKDSINSA-N 590.720 7.608 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CCCC[C@@H]2CC3)c1Br 2359782194 BZTVKUOJFYCLLG-KBOAJJQZSA-N 594.805 8.143 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2CC[C@@H]2C(F)(F)F)c1Br 2362239443 YCSVOTXCZCQXIM-IKMPGZOFSA-N 503.353 7.029 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccccc2I)c1Br 2365189406 UVLJJZPSLQDSEB-ZDUSSCGKSA-N 574.876 6.618 50 10 KKGE Cc1cccc([C@@H](CBr)OCc2cc(I)ccc2Br)c1 2367600993 IOAPLDLRHSQUAD-MRXNPFEDSA-N 510.007 6.015 50 10 KKGE CCC[C@H](Cl)CCC[C@H](Cl)CC[C@H](Cl)CC[C@H](Cl)CC[C@H](Cl)CCC[C@H](Cl)CCC 17263613 QKUNKVYPGIOQNP-SSIAJPCRSA-N 545.334 10.912 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 33346570 QPXLHOXMURJYDH-HMMYKYKNSA-N 509.027 6.970 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 38606092 SKWGSYQPGUSPPR-WGOQTCKBSA-N 524.621 5.121 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OC(C)C)cc3)ccc21 38686121 YCBLPBMHVDXPDB-LJAQVGFWSA-N 512.606 6.480 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 38686159 TZWMYEMRIIBDID-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 38686705 DXXPMAWVNWXZKA-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccccc1F 38687926 ZEURPQVPKKNITK-OAQYLSRUSA-N 511.361 6.785 50 10 KKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)COc1ccc(Cl)cc1Cl 39852960 RHDLHJYHYSFHAT-UHFFFAOYSA-N 515.372 5.225 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 40530363 LOGXJMJYVXMAGK-DEOSSOPVSA-N 517.006 6.699 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 100227024 OXDOALVLGZCVBA-GXZQEHIMSA-N 603.413 5.141 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 100235603 HQSQWUBYZSHFIZ-WGNDPNKDSA-N 586.439 5.308 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244508 LSAWYSYOALMIRK-IEQIIXMPSA-N 502.039 6.528 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101286606 BDVJVUGHDPOYRQ-KDIMXHFCSA-N 554.650 6.766 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C1=O 101333307 RDCGWANJDRKQCZ-VFCFBJKWSA-N 538.717 7.214 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101333581 FCXOREDCLQHXJI-NJZRLIGZSA-N 605.138 7.944 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101334245 ZOQYRCPQUFVZNP-QZLJHNFXSA-N 508.622 6.026 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 101374219 NOOUDFGEATYLEZ-MUUNZHRXSA-N 569.441 6.239 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381856 VDFKATUPTQUGJF-HKBQPEDESA-N 532.596 6.492 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387409 AQTSMHBFSQQPNW-SSEXGKCCSA-N 587.459 7.327 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387427 ZEBWDTJOSJMKPR-PMERELPUSA-N 603.458 7.027 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1Cl 101388174 ABQMOFIJGBYJAL-NDEPHWFRSA-N 542.975 6.348 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c1 101388688 SEIPJZPRGVOYSU-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1Cl 101391696 XGKVCRULGAXSEM-DEOSSOPVSA-N 527.379 6.749 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1Cl 101391969 QVWWSESPEAFVQE-QHCPKHFHSA-N 564.252 7.526 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101395277 CFJNOKNOHXRAAK-LJAQVGFWSA-N 573.045 7.328 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H]5COc6ccccc6O5)ccc43)c2)cc1 101398209 VRLFMNMCZKGGBS-CONSDPRKSA-N 546.579 5.538 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccc(F)cc12 101398549 WPDAKXWHPVZLTG-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] 101462873 BMNYXJITZHRUHQ-UHFFFAOYSA-N 518.144 5.264 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccccc1 101712155 FDZVPVSROBBMGQ-FDAWAROLSA-N 545.433 6.233 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 101730448 ITBGNSFNKXEFAG-SHVSDHADSA-N 539.588 5.593 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1OC 102420980 KHSSLPWRWRWVNR-CYVLTUHYSA-N 501.995 6.688 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OC(C)(C)C)c1C 102562480 QIWRQOUFVCLPOJ-GHRIWEEISA-N 563.657 6.395 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 102779693 SGCNZMBYDLZWOU-NDEPHWFRSA-N 545.076 5.360 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 102780479 UVQPJLAXEDGLPE-YZNIXAGQSA-N 557.131 6.043 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741457 DMEKGWYSAUWVOJ-SCIJIFGBSA-N 556.844 6.307 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 103797367 XDXBOLLEHAMAOL-QLQYKETESA-N 608.536 7.875 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1 103877091 YEYJABNUVXRLSH-ZSNJKBEMSA-N 568.048 7.597 50 10 KKGE O=P(/C=C\c1ccc(/C=C\P(=O)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1 103906890 GDDMSQNYNOLQOO-LBXGSASVSA-N 530.544 7.656 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1 107662257 SIXNEPFDOCUKEZ-ODLFYWEKSA-N 522.355 5.799 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 150432096 ZPBVARLZSXNWQK-DVMDLWDRSA-N 636.914 6.285 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 214238876 YPHRZPDPOPDTJQ-DIBXZPPDSA-N 508.622 6.111 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214278719 IRNNDTCVHJAXCE-UCMJSZAQSA-N 594.646 7.050 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214280178 UXDMKTARZZPSAA-YKQZZPSBSA-N 542.639 6.427 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C2=O)cc1 214393653 RTSGVLKGTQEEAX-DICXZTSXSA-N 532.575 5.788 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)ccc1I 232344726 SPMZEFCFDBGQIS-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE COC(=O)CCCCCC[C@@H]1[C@H](O)C[C@H](O[C@H]2CCCCO2)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 247842055 OLKPOVZVIGXVRC-MASCNAAOSA-N 596.881 5.985 50 10 KKGE O=C(Cc1ccc(Cl)cc1)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1 252600489 DRTNAHWUJXBTGP-UHFFFAOYSA-N 550.634 5.777 50 10 KKGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254446315 ILZGLHIKBAINJQ-UHFFFAOYSA-N 536.495 5.840 50 10 KKGE COc1ccc(C=NNc2oc(-c3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 254497504 DYCNIKPFJCGPRV-UHFFFAOYSA-N 554.610 6.416 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccccc2I)cc1 254500234 CWASAAGINBAUOX-UHFFFAOYSA-N 506.347 5.216 50 10 KKGE CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254762500 BXSLMLCVCBZMIL-UHFFFAOYSA-N 553.887 6.789 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254838731 UWXCRNPVLWKRDU-AGVKMQIPSA-N 513.553 5.643 50 10 KKGE COc1ccccc1C(=O)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21 254839961 ROQZOCXXIBHFES-UHFFFAOYSA-N 583.486 5.598 50 10 KKGE Brc1csc([C@@H](Br)c2cc(Br)c3c(c2)CCCO3)c1Br 705478478 XDTJHXUACVLLAO-NSHDSACASA-N 545.916 6.845 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccccc1Cl 725394246 KJRKJMXJTOUVPO-UHFFFAOYSA-N 540.810 5.748 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1O[C@@H]1[C@@H](CC[C@@H]3Cc4cccc(P(c5ccccc5C)c5ccccc5C)c4O[C@H]31)C2 888084727 IGTZUTKXXMKKNV-JGRZWYJTSA-N 716.842 8.770 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](n2ccc3c(N(C(=O)c4ccccc4)[C@@H]4CCc5ccccc54)ncnc32)C[C@H]1OC(=O)c1ccccc1 888087722 KZGMPWQXAXKCOW-BSTNIHDZSA-N 686.929 8.964 50 10 KKGE COc1ccc(CSCC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1 1083907621 CQHUFXMZENRVAO-YIIWZEITSA-N 515.654 6.434 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 1083913542 RSOCIMJUSJOLQG-DEOSSOPVSA-N 529.406 5.530 50 10 KKGE COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1083996690 JMEGMDVRUANNNU-UHFFFAOYSA-N 530.998 5.493 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1 1083996749 MVMSVGLBHOZMSH-RUZDIDTESA-N 604.339 6.462 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 1084026618 JCHMWQHTSOXMLH-DEOSSOPVSA-N 529.406 5.530 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084055645 XBWDOADMLLRNRX-UHFFFAOYSA-N 608.094 7.546 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 1084175215 XYNZJYWSMHVRMH-UHFFFAOYSA-N 542.935 5.484 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 1084242534 RTUAPLBZYZGYFH-UHFFFAOYSA-N 520.545 6.393 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1084335828 WVVAZFIRBCLNAX-DEOSSOPVSA-N 514.981 5.429 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084431768 FIFJIBBJBDLCEF-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c1 1084449329 GQPSJZQKBAUXRK-UHFFFAOYSA-N 517.629 6.154 50 10 KKGE N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084620382 TYKQDVLRKWWBDK-LFIBNONCSA-N 515.227 7.849 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538163 YHFMMZUOMCRTSB-IWROOGOWSA-N 521.295 10.208 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865687482 SEUGQIIUWDPLIK-HHHXNRCGSA-N 537.620 5.739 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865691191 LXAHQOSUWYYNRO-LJQANCHMSA-N 563.374 5.978 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865691485 TYYIGAARKBYZCS-SANMLTNESA-N 561.469 7.252 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865696200 YEPXFVDNDFPHDP-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696752 KABNVFSKMDMGPP-MHZLTWQESA-N 500.643 5.730 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703907 ILIRXZRENMCKRS-MHZLTWQESA-N 545.470 6.988 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865708916 JCZBZZXAYVDZMW-GDLZYMKVSA-N 557.695 5.056 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711310 VJWAIQRXDCTOEV-DEOSSOPVSA-N 516.523 6.152 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866760746 NPWDHKUGKNEIGW-SVBPBHIXSA-N 533.669 6.212 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Br)cc2)n1 1868253775 SUTQDGYUMHERCR-NRFANRHFSA-N 524.488 5.956 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)[C@@H]2CC(C)C 1868456065 IWYYOFIPVGDYIW-MUUNZHRXSA-N 523.681 8.058 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 1872744386 PGFJIYRBBGVFPR-DLZCECKCSA-N 503.624 5.274 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747356 ZAMXEAJXZDPQSK-QNPMFDGYSA-N 506.765 6.394 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 1873499476 XDZXWMOVAMGIHW-UETRGQPKSA-N 506.430 5.670 50 10 KKGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 1873792660 KMDKYCDFQIRJRV-STBIYBPSSA-N 504.027 5.463 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(CCCCC3)C2)c1Br 1924568895 NDAFBCRNZALAKN-JTQLQIEISA-N 535.965 7.832 50 10 KKGE C[C@@H]1CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924614184 MZBYVRNUNVECFC-FJXKBIBVSA-N 509.927 7.298 50 10 KKGE CC(C)[C@@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782636 NZTGEGHBAWQBSK-SREIQFSDSA-N 512.305 7.309 50 10 KKGE CCOc1ccc(NC(SCC(=O)N[C@H](C)c2ccccc2)=C(C#N)C(=O)Nc2ccccc2C)cc1 2053622979 YGPKDALKECZGDE-OAQYLSRUSA-N 514.651 5.790 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2COCCO2)c1Br 2085496919 YPQQMHVFHYWBTE-CPCISQLKSA-N 572.711 5.588 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141467873 DJIGVBYWICZNPC-LLVKDONJSA-N 617.220 8.244 50 10 KKGE C[C@@H](C1CCCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468023 FYMBPRYBHGDSJZ-JKYUHCHBSA-N 538.343 7.843 50 10 KKGE CS(=O)(=O)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141470885 LRXISHYNSHQHBU-JTQLQIEISA-N 560.327 5.594 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141795290 WBISMFGUTHFMJW-IBCQBUCCSA-N 537.937 6.534 50 10 KKGE Fc1cc(Br)c([C@@H](Br)Cc2ccccc2I)c(F)c1F 2143867816 HKNBWYNCKYADOK-QMMMGPOBSA-N 519.924 6.150 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(I)ccc1F 2169667508 GOBKUAWKJZURNC-CQSZACIVSA-N 517.933 5.825 50 10 KKGE COC1CC(CC[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394136 FEYGZDDGBBKSAM-AMDVSUOASA-N 598.793 7.378 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405803 QNKMWQCIVSGJSL-UFBFGSQYSA-N 574.354 5.984 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c(C)c1Cl 2232528163 GPNJKQULFZUCRU-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2235605326 RFUDKEQVZOFAET-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2257224902 UGMAMHVPSXTYRP-HTRCEHHLSA-N 523.910 6.431 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Cl)c(Cl)c1Cl 2264609393 KWWQBORJCIGFDW-SNVBAGLBSA-N 504.285 8.215 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2cccc(Br)c2)cc1 2297321417 VMVIXDSOCYOWRP-UHFFFAOYSA-N 769.288 7.181 50 10 KKGE Cc1ccc(SC(Cl)=C(NC(=O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297470751 VYXMEALYJPKXCN-UHFFFAOYSA-O 565.098 7.877 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccccc2Br)c1 2299495094 PQJLFWOOJAZBQK-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1Cl 2313521538 VQSDRRXUQCKIMY-UHFFFAOYSA-N 547.674 7.907 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 2313567691 MNJFPOCGUTZZHX-UHFFFAOYSA-N 514.217 5.939 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 2314432763 GEOSGCCZFWRQJB-UHFFFAOYSA-N 631.533 6.796 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@H](C)O1 2314476956 YRMXEMKFPHHWGW-VXKWHMMOSA-N 623.156 5.329 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 2314490361 XPULESFFNNSKGB-UHFFFAOYSA-N 546.446 6.663 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C1 2314507215 JETCQFGXKIKFGE-JOCHJYFZSA-N 548.672 5.900 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593959 WNSSQTBHHKVSJA-BTYSJIOQSA-N 523.702 6.731 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4Cl)c3)C(C)=C(C#N)C2=O)cc1OC 2314616862 LKDAYVUJCAWAJW-UHFFFAOYSA-N 685.180 7.624 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314618461 NXKIXZQLYGTXJL-UHFFFAOYSA-N 584.607 6.643 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643122 CKOIOEKGHIHQPE-JGCGQSQUSA-N 583.015 6.904 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC 2314730804 ULEAJDWAVKFPGC-UHFFFAOYSA-N 502.365 5.871 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2)cc1OC 2331299296 RNHAPUHERDYMHT-UHFFFAOYSA-N 501.007 7.514 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)cc(C)c4OC)cs3)cc2C1=O 2331391798 GKIJAOVAWMQEEB-AWEZNQCLSA-N 507.999 6.125 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Cl)cc1I 2340052523 PQIOMLGDRGKWKG-JTQLQIEISA-N 505.565 5.058 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@H](Br)C1CCCC1 2349839550 ILQDDLPUNJJBJI-AWEZNQCLSA-N 501.044 5.439 50 10 KKGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2377345177 UZFYXVLGLYVYFO-VHSXEESVSA-N 526.960 5.059 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38650740 ZXPDIVQMLSVWSC-DEOSSOPVSA-N 505.914 5.474 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 38679373 VMICMFBSMUJKGD-SSEXGKCCSA-N 528.605 5.810 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38686195 ICWKKNGZUNFROP-HKBQPEDESA-N 526.633 6.582 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822647 NDTUVWSHXNKTTI-IWBSIUBASA-N 512.009 6.940 50 10 KKGE CC(=O)Nc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 59304255 ZKCXPPWOBOVOIN-KEIPNQJHSA-N 529.644 6.583 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1 59335296 NFKAIXLJMVKVAI-UNOMPAQXSA-N 512.322 5.863 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 97610429 RFBTUKRLSOJBMC-UNOMPAQXSA-N 509.400 6.700 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)Cc3cccc4ccccc34)cc2)cc1 100083214 BRVGJUPMZAZXKU-UHFFFAOYSA-N 538.673 5.268 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 100181893 CQDFOAMHZPUARE-UHFFFAOYSA-N 533.275 5.130 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065549 UBVLRYNGUMBXRG-UXHLAJHPSA-N 534.332 6.092 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243993 REQONEPKGBBMIU-WYFMXFKYSA-N 566.510 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101339670 ZHAFBZHKYBXSOH-MUFRIFMGSA-N 586.648 6.095 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1 101367474 LDDOLIWPFBMDIQ-MGBGTMOVSA-N 562.622 6.094 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101372394 MDKQFBPJOSKQHB-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 101375436 RTTWSNINLATRGR-JGCGQSQUSA-N 570.686 7.269 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379556 NPVYEMWBSCZVPB-PMERELPUSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380209 MDVULIZYTMECDN-SSEXGKCCSA-N 540.522 5.746 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383211 ASGLIUOSLUOOFS-GILSBLPBSA-N 549.026 7.064 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383909 CZJASZUSMGCGKK-XFSFLGPDSA-N 564.613 6.558 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385032 HUXUHDKHHOMALN-WJOKGBTCSA-N 601.486 7.799 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387065 LHHUICYYGRULTO-SUUYUTMFSA-N 617.460 7.557 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388394 YIUBAHMZHAFMHV-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Br)cc1 101391414 SCLQLAVFEOVFRN-HXUWFJFHSA-N 606.712 8.061 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397842 CFGFPDRPOCUJCW-NDEPHWFRSA-N 583.040 7.710 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 101735437 CMSDOEAPFYZYQH-OALFQMFHSA-N 536.584 5.942 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccc(Cl)cc1 101766433 VVVMMWRXTKCEPG-IPPBACCNSA-N 545.861 6.343 50 10 KKGE CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2cccc(Cl)c2Cl)c1 102350117 SDRSXRBZBMKYJT-LFIBNONCSA-N 531.417 6.365 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1 103741582 VCMASWYHQPTIAR-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Br)cc1 103877614 LVIXTQNZOWJUFO-CCVNUDIWSA-N 619.253 6.542 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc2ccccc2c1 103878786 ZNASEEYFRBFHQS-MMFILIDRSA-N 605.738 8.686 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 103888369 RGWDJSZDCFUROA-GRSHGNNSSA-N 560.275 7.588 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150411390 UPTDRGDTWOHIPA-FTWOZMABSA-N 646.769 5.881 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 196563183 QIYOHWZXNNZRCM-GJXDWMKPSA-N 612.839 5.466 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 235821945 DSWRMMNANQXRJF-CQSZACIVSA-N 532.295 7.420 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl 252613763 JDWGCXSRZAOTIW-UHFFFAOYSA-N 709.246 5.732 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1 254520588 ZOAYHDIDBJSHOG-UHFFFAOYSA-N 562.684 5.486 50 10 KKGE COc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 254631719 KNEARIQPSDOXME-UHFFFAOYSA-N 561.079 6.537 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 254741426 RFAITYXPNHKMPQ-BPUGRYJXSA-N 528.594 5.067 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc(OC)c1OC 254822885 ZPVIAZIXYXMJMY-UHFFFAOYSA-N 569.643 5.061 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)sc2Br)c1I 379214744 PFSKBHMBQLQALT-ZETCQYMHSA-N 540.844 5.096 50 10 KKGE Cc1cn([C@@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H](CO[P@@](=O)(Cl)N(C)C)O2)c(=O)nc1O 616584531 DIRYYUMNQFXZQD-JYACZECHSA-N 609.063 5.374 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 719538162 QGDKWGPNOKZYQX-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)sc3Br)c2O1 720054271 UNWTYBXXWFXWAK-PWCHPLFNSA-N 545.916 6.843 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 725240212 QBQILPGPOHKOEN-RGYZPDGKSA-N 538.257 8.458 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725401942 JGIQBPDEGPQEHP-UHFFFAOYSA-N 564.889 5.237 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 725425766 MIFOUIFVVXXFGP-DEOSSOPVSA-N 599.478 5.518 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1083916838 DGMWIFXXHFJOEL-UHFFFAOYSA-N 613.117 8.334 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 1083955270 JPGRJWRGDUFWKQ-OCKHKDLRSA-N 607.275 7.348 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084012799 WJIVPJHVUDFYAJ-UHFFFAOYSA-N 547.497 5.799 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccccc1OCc1ccccc1Cl)c1cccc(Br)c1 1084171264 XXVKZGUUFQDVFQ-UHFFFAOYSA-N 562.851 6.698 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1 1084203448 YMJHCCVBCCZXPO-UHFFFAOYSA-N 550.482 5.066 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1 1084245826 QVXRFBPZVBQKLJ-UHFFFAOYSA-N 531.077 7.374 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Br)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084280092 QXRXGLDEGDPUOF-UHFFFAOYSA-N 623.529 5.139 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084315615 RZFJIJYHCYSKMG-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084387996 UIFZQJMBSVLHDK-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1 1084411550 KHWBUBFOHSZVHY-WSDLNYQXSA-N 621.431 5.324 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Br)cc1 1084650615 UCMINEHXUAMKSW-PXLXIMEGSA-N 658.334 5.897 50 10 KKGE CN(C(=O)c1ccc(Cl)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613935476 XZHPKSZQUNVDBF-RGSGVQHRSA-N 534.897 5.600 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 1772720699 RYFLPMWVRRJWGI-UHFFFAOYSA-N 541.449 6.254 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746326 DNBSFTBJNBILOY-UHFFFAOYSA-N 512.009 6.940 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684381 XWNNZQCVUPEVDR-XMMPIXPASA-N 532.431 6.139 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688752 ZYDOKXIQHYDMIL-DEOSSOPVSA-N 573.447 5.941 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Br)c1O 1865688959 GFGLOSKLKUPCTK-QFIPXVFZSA-N 529.394 5.293 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865691777 ASCBLGMKQWUFBC-QFIPXVFZSA-N 557.876 6.256 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)ccc1OCc1ccccc1 1865694641 YEOOPDYFLXNYKF-WJOKGBTCSA-N 570.649 6.744 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)c1O 1865695629 FGFCAUOVGMRJGQ-QFIPXVFZSA-N 503.356 5.029 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700786 DKWWWKGDELZURF-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701470 WFEPHKPTKRINJS-RUZDIDTESA-N 537.834 6.938 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703097 MWZBBAAFIFDUIF-VWLOTQADSA-N 530.550 6.364 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703361 URLOHANPMKIANE-MHZLTWQESA-N 545.470 6.988 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1865703639 XPNDZXZGXWYZDX-LJAQVGFWSA-N 575.496 7.051 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707411 WKHJGNMIAXAYGP-SSEXGKCCSA-N 517.677 6.355 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708383 VSBVKYMJKSZEMQ-VWLOTQADSA-N 546.986 5.635 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711561 BKFOJQWNDGARME-SSEXGKCCSA-N 540.623 6.404 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1865714530 MMANTWPIRJEZNF-JOCHJYFZSA-N 517.814 6.232 50 10 KKGE CC(C)(NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866934274 WBPGEDHEWOIRDT-UHFFFAOYSA-N 521.017 6.277 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)C2 1868341837 AWEXTAGNWGDHGJ-UHFFFAOYSA-N 503.672 6.406 50 10 KKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)[C@H]2C 1868414120 JOIAEUPAIBBAAX-SFHVURJKSA-N 514.054 7.246 50 10 KKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915265370 ZSTRQOHVUQQVIE-SFHVURJKSA-N 520.636 5.960 50 10 KKGE Fc1cccc(F)c1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924600347 QGARKJHMDMJNBK-LURJTMIESA-N 539.859 6.993 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CCC2CC2)c1Br 2025779951 NJJGPLDQRYFOCG-ZETCQYMHSA-N 554.740 7.363 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)s1 2031482592 UTPBYTKTEPWBMC-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(Cc3ccccc3)cc2)cs1 2053614212 HATOUVAWSQDWLQ-UHFFFAOYSA-N 520.661 8.318 50 10 KKGE N#CC(=C(Nc1ccccc1F)SCC(=O)N1c2ccccc2Sc2ccccc21)c1nc2ccccc2s1 2053622447 YVGLDWJHJYZYEM-UHFFFAOYSA-N 566.708 8.302 50 10 KKGE CC[C@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 2059972457 KASDHRXLYQOAKZ-GHZCJFSSSA-N 810.466 5.719 50 10 KKGE CCC(C)(C)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495726 SEEUGJWWYCEKJP-SECBINFHSA-N 570.783 7.999 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085499169 SBAKYURQSLGDSS-RFZPGFLSSA-N 578.709 7.464 50 10 KKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)sc1Br 2090461575 RPVBRBPEUMUBFU-NSHDSACASA-N 531.889 6.455 50 10 KKGE Brc1cccc([C@@H](Br)CCc2cc(Br)ccc2Br)c1 2118532748 SMNJVUWZTGPHJJ-AWEZNQCLSA-N 511.877 7.043 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCC2(CC2)C1 2141467959 FIIPAKDGIFOOSH-CPFSXVBKSA-N 536.327 7.597 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146630546 YAXRAQPZKOHANZ-CQSZACIVSA-N 525.860 6.393 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@@H](C1)OC2 2206393869 BPTMRHVRNDIOHY-MEYOVJIESA-N 552.326 6.976 50 10 KKGE CO[C@@H]1CC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2220513105 IEWKZDWXZPXHRZ-XIGBOZDYSA-N 526.288 6.442 50 10 KKGE BrCC(CBr)(Cc1cscc1Br)c1ccc(Br)cc1 2227115238 JQKIQZBOTNWBJL-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE COc1ccc([C@@H](Br)c2scc(C)c2Br)cc1I 2257356272 SCZNXWNPAJONBN-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Clc1cc([C@@H](Cl)c2cc3sc(Br)cc3s2)ccc1I 2278095646 DKYBEVXDZCGUCZ-CYBMUJFWSA-N 504.039 7.312 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288345184 PTSLDVRQSIMVOX-NSHDSACASA-N 537.793 6.876 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2295489478 NPORUTIVCNQFJU-UHFFFAOYSA-N 597.513 6.015 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 2297461767 WVBNIYCJDWKLHU-UHFFFAOYSA-N 537.801 6.069 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4ccc(C)cc4C)c3C)sc3c2CCCC3)cc1 2313563450 TYESTJDEUUGDEU-UHFFFAOYSA-N 562.739 7.758 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 2313567486 KBBQOHGXLYQUPC-UHFFFAOYSA-N 546.023 5.302 50 10 KKGE Cc1cccc(COc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1 2313571023 LPRMQCGFEBLIGI-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630386 JDUPQMQOHBTHBK-UHFFFAOYSA-N 508.430 6.930 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1 2314415144 YXURICVJYSILPT-UHFFFAOYSA-N 620.713 6.770 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314488246 MSRLRJCQNOSJAI-UHFFFAOYSA-N 603.803 8.675 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314490723 KWSYVAXGIQFPRZ-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Cn1nc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1Cl 2314490991 PGNAIVGQTWEYCB-INIZCTEOSA-N 505.037 6.506 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591705 BMZJXGCBGDJLJD-VWLOTQADSA-N 552.483 6.766 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592902 DHXGQQHIOKITRZ-NDEPHWFRSA-N 527.690 6.488 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314610771 MCRQJBPCWZKCNK-UHFFFAOYSA-N 528.612 6.039 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314611254 RPYPQPUJGLPVEG-UHFFFAOYSA-N 611.529 7.673 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 2314616467 BHDHPUNAUHFZBW-UHFFFAOYSA-N 593.039 6.113 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314616735 IQGLVBPNEDFARO-QFIPXVFZSA-N 570.649 5.972 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 2314618025 GAZSHAVKOOPQJM-HHHXNRCGSA-N 536.632 5.489 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314618328 LMBVGTXDNOBSAR-UHFFFAOYSA-N 558.638 5.747 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314620015 JDGNSFBYIPQXCO-UHFFFAOYSA-N 565.098 7.097 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 2314640749 VQTYDDVDIKURJU-WJOKGBTCSA-N 518.544 6.242 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1OC 2314751028 MBJRHMCEPHCXIS-UHFFFAOYSA-N 562.619 5.040 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OCCC 2331293465 ONXCCTPHWXZRPK-FQEVSTJZSA-N 506.668 7.771 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 2331417450 QSVYNLPDCUDRBB-UHFFFAOYSA-N 515.429 6.451 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccccc1C 2331468258 QDGHSQLRNGLSMB-UHFFFAOYSA-N 510.659 7.786 50 10 KKGE BrCc1c(Br)cccc1OCc1ccc(I)c(Br)c1 2349811517 YABLMKSHDVLJJQ-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE CC1(C)C[C@](C)(CBr)CN1Cc1ccc(I)c(Br)c1 2349831982 NVFREIAWWJQFNU-OAHLLOKOSA-N 501.044 5.439 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1 2360483899 NJSAUNBXMXFVTG-SNVBAGLBSA-N 509.826 6.358 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)c1Br 2362234313 GNHDJAORMPRLBB-NSHDSACASA-N 617.703 7.746 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362239817 YZBQXCNKWUHTMI-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Cl)cc(F)cc2Cl)c1Br 2366407704 XECFFBUPMUIJDG-CQSZACIVSA-N 505.834 7.450 50 10 KKGE Cc1c(Br)sc([C@@H](Br)CCc2cc(Cl)cc(Cl)c2)c1Br 2366794848 LMBZAEHXHNSILW-NSHDSACASA-N 521.927 7.957 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 28356610 YGRGCWVTCAQEHD-OQLLNIDSSA-N 502.220 8.204 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 38606735 ZFHFINWOOFOBFA-JVWAILMASA-N 515.573 5.125 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38685435 QMVQOWDLTQKWII-LJAQVGFWSA-N 512.606 6.480 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38700432 BFMJRHVYACBDJU-DEOSSOPVSA-N 501.007 6.863 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)ccc1Cl 40813757 DWCKNXQDBRNLSS-TURZUDJPSA-N 505.785 6.546 50 10 KKGE Cc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 40951171 LWRJJOOVEZVJLX-LQKURTRISA-N 515.835 6.299 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c1 59159610 GQPSJZQKBAUXRK-JSLDZMDGSA-N 517.629 6.154 50 10 KKGE CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 59304142 NOTOVORUZIWQKX-RDRPBHBLSA-N 502.412 6.378 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1C 59372567 JXTNPEIZVXCHSJ-NJZRLIGZSA-N 526.662 5.417 50 10 KKGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100146807 YLWKDUMSARHPHK-UHFFFAOYSA-N 528.241 5.011 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100181931 OBTIWQLYCRAWEY-UHFFFAOYSA-N 554.919 5.691 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCc1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 100389935 NTMUGDRRYNWZRE-FZSBGTLUSA-N 537.084 7.795 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241223 CZJZRUOSKYCBPR-IEQIIXMPSA-N 518.038 5.481 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101246845 QDCUFECJBIVYMY-NNHPPCHPSA-N 518.038 6.030 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101293631 WIQCRDDGPIEFNC-HKBQPEDESA-N 530.580 6.268 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 101336696 DTVGMMMLSDWCLQ-MFKUBSTISA-N 553.018 6.367 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 101339314 JZURJMSMXUOMSA-YZSQISJMSA-N 508.574 5.118 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101339947 FBLJUYSMSWEYJE-AJBULDERSA-N 588.733 7.233 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 101374649 CWPJKBGOIYLVME-UUWRZZSWSA-N 562.666 7.174 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(C(C)C)cc5)ccc43)cc2)cc1 101378888 GOQGYBHJUPORGV-ZWVRTZEQSA-N 574.677 7.289 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381364 ZUMKLTUONKWOAJ-HKBQPEDESA-N 601.486 7.799 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385198 IPJOWHHXNRXLKZ-MGBGTMOVSA-N 562.622 6.094 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387619 AZHYDIPJPJNIIK-JGCGQSQUSA-N 546.623 6.719 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388542 QFOXYZYPAUJULP-OZYUNTJISA-N 635.160 8.452 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101395971 YMTUYYHTWVJFOM-YTTGMZPUSA-N 615.126 8.498 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Cl)cc6c5C)ccc43)cc2)cc1 101397461 TXTFRSRIEMHLHT-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2cc1C 101397661 WSMIGLRBNWKRDG-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603598 TXFGPEMEPASBGD-MTDXEUNCSA-N 533.799 5.093 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1Br 101711282 VXPSTJPUQCMRIH-DHRITJCHSA-N 518.205 5.416 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1 101730438 QJWTWTVUFXFJNT-LTGZKZEYSA-N 533.606 6.533 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103880643 NRWNBILVVWBPLH-UZWMFBFFSA-N 556.460 6.390 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)ccc1OCc1ccc(Cl)cc1 104619887 VWXCYXJWCYOMAM-FDAWAROLSA-N 541.044 6.278 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccccc1Cl 105062908 PWWIZMLGXXHDJX-MHDJOFBISA-N 583.855 7.218 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 105566673 AHCJLIZYILBOPQ-PLRJNAJWSA-N 527.425 5.893 50 10 KKGE Fc1c(F)c(F)c([C@@H](Br)c2cc(Br)sc2Br)c(F)c1F 109869763 KRAPCERUBFAWMH-YFKPBYRVSA-N 500.906 6.453 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1Br 137916924 QFIGDQJBKDQPFC-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 150428791 KBUODVWHRZPPRJ-ZZJXEYPFSA-N 655.302 6.134 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 150431852 JOYMBBXLZUVEBX-HHUCIZBTSA-N 671.359 6.938 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150462466 TVTCDWGEZXPYGW-PMERELPUSA-N 627.093 8.027 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 150497902 YJLLMSGYASDVTK-BIZUNTBRSA-N 645.546 8.218 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 155256072 SWLXSYUNWJJBLG-RYUDHWBXSA-N 660.897 6.221 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 205641182 XCAUIAKKBMNSAA-ZELZBGBBSA-N 506.646 7.119 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205659046 LEVSPPFHEHCVEN-QVBDUPRKSA-N 506.602 6.386 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205776138 ULUIBUYKPDGBFV-VEWOPZLGSA-N 636.705 5.384 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206695153 DONRWDSRWDWSLG-WTHRLWDASA-N 553.615 5.983 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214311737 IDUBWDJRSCPCGE-NTFVMDSBSA-N 543.627 5.822 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214312947 HNIWDTQFEXOVMW-QRQIAZFYSA-N 545.668 6.229 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214385828 QEMKGFZSNXVZQA-MWLSYYOVSA-N 600.675 6.404 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc4ccccc34)nnc2-c2ccccc2)cc1 254546567 VVNGMDHFIQQBAA-UHFFFAOYSA-N 507.619 5.729 50 10 KKGE CCOc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc(OCC)c1OCC 254826476 BXJMMYNZIMPJCF-UHFFFAOYSA-N 538.604 6.246 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 254854534 QGPCRLUSDYAPAL-UHFFFAOYSA-N 534.450 5.114 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1cc2c(cc1Br)OCC2 308441571 YHPPFRZQRJSPGK-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE COc1ccc(Br)c([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1 382691232 MRSJIWGJKMOSBE-YJBOKZPZSA-N 530.200 5.245 50 10 KKGE CC(C)(C)OC(=O)N1[C@H](CC[C@H](O)CBr)C(=O)O[C@H](c2ccccc2)[C@H]1c1ccccc1 504677309 KSKVPVAXSYPJEF-DXBBTUNJSA-N 504.421 5.168 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cccc(I)c3)c1)OCCC2 688378190 HJJRAZHSCGLKQQ-HNNXBMFYSA-N 507.991 5.863 50 10 KKGE C[C@@H](Cl)c1nc2ccc(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705610862 QDFACHZSUCMPOD-HXUWFJFHSA-N 524.890 6.570 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 725379796 ZEIXJZXUYDAYAC-UHFFFAOYSA-N 536.604 5.026 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1Br 1083945415 SZKMSJFAQXOVOS-UHFFFAOYSA-N 620.569 6.624 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 1084075105 MBSBJMZMNVVDFC-UHFFFAOYSA-N 554.293 6.586 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1)c1cccc(Cl)c1Cl 1084162930 UZPYXLYFXOCVEE-UHFFFAOYSA-N 545.275 6.030 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 1084404839 IBAHEWJCRRJEQY-VWLOTQADSA-N 573.459 5.929 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 1084450204 VRSQCCDCMJOKAX-UHFFFAOYSA-N 542.657 5.618 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1 1084457267 IUIUJQCRJCOVLG-UHFFFAOYSA-N 609.645 6.796 50 10 KKGE COC(=O)N(C(=O)N/N=C1/c2ccc(F)cc2C[C@H]1N(C)C(=O)OC(C)(C)C)c1ccc(OC(F)(F)F)cc1 1613989249 RFAUTSGTOWMCEX-CTSVEABKSA-N 554.497 5.203 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653102 DTITZBXYNMIWCJ-QNOVMCAUSA-N 574.544 6.876 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773627 UHCDRCBBCZLXBO-WUTZUZAYSA-N 641.186 12.671 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744176 RKZQRKHRLFZSOM-UHFFFAOYSA-N 558.432 6.866 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747408 OJKGYWFOLGTBAE-UHFFFAOYSA-N 605.248 5.434 50 10 KKGE CC1(C)COC(CC[C@H](C(=O)N2C(=O)OC[C@@H]2c2ccccc2)[C@H](Nc2ccc(F)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccc(F)cc2)OC1 1848437292 ILUMERHNJVSKQE-LCKTVPPXSA-N 770.990 10.545 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865691189 LWQGUGAAUCAVBY-OAQYLSRUSA-N 509.404 5.213 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865692122 BDLPRVYIVHVBEL-GDLZYMKVSA-N 558.638 6.717 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692445 FWMQIFFLWVPPTG-HHHXNRCGSA-N 545.470 7.237 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865693532 KMQFKAVRWAKQSU-MUUNZHRXSA-N 524.596 5.829 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865694030 UACGLTMLZXUDMJ-GOSISDBHSA-N 522.886 5.368 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865694897 FDSUMBWHBVZCNX-VWLOTQADSA-N 546.549 6.064 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705317 RWJXVHURWGDHJW-QFIPXVFZSA-N 534.469 5.527 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1OCc1cccc(C)c1 1865705929 JNMGMFMVTOXONA-VWLOTQADSA-N 560.576 6.373 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706297 SMVFJFHIOSDLFH-SANMLTNESA-N 561.469 6.856 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709708 ZVXFCQZMGNUHJG-NDEPHWFRSA-N 578.113 5.732 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711544 BBTSKDYEVXIFQY-DEOSSOPVSA-N 541.951 5.149 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199274 ZDOQHEDBHQDXCD-CLJLJLNGSA-N 566.521 6.224 50 10 KKGE CC(C)C[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199276 ZDOQHEDBHQDXCD-IZZNHLLZSA-N 566.521 6.224 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)n2)c1 1868506554 YXVMUZBWQGNWHI-AREMUKBSSA-N 534.645 5.415 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccc(Br)cc3)nc(O)c2cc1OC 1872727563 KJIDBUNUNXOKFT-WOJGMQOQSA-N 518.367 5.758 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 1872758379 XPLHTTVKCGRIFP-JEOADQEBSA-N 517.607 5.458 50 10 KKGE FC1(F)CCC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614766 QXILXHKSKKPQRB-PHDIDXHHSA-N 531.880 7.297 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1c(Br)cccc1Br 1925546281 NTHPUFHOTLPGRM-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)s1 1948822195 BABOKLQLCGICRC-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Cc1nc([C@H](Br)c2sc(Br)cc2Br)c(Br)s1 1980616209 ZDWIHFWLXLIVPJ-LURJTMIESA-N 510.896 6.285 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(I)sn2)c1Br 2024291321 ZDYZDBMOFDSRRV-LLVKDONJSA-N 551.867 6.065 50 10 KKGE FC1(F)C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779214 DTLUWPSRIDGISZ-OLLQQOEVSA-N 518.215 6.672 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)cc1Br 2052971625 PZGFDBUHKWFCQU-NSHDSACASA-N 501.842 5.500 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2085495286 PLGFSXJMLYRJJK-GFCCVEGCSA-N 568.767 7.753 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(I)sn1 2085642033 IZRIENOTMDOZBD-NSHDSACASA-N 502.997 5.312 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(F)c(Br)c1F 2113351777 SZBPUQMFVDFHNP-NSHDSACASA-N 505.897 5.955 50 10 KKGE Cl[C@@H](Cc1sc(Br)c(Br)c1Br)c1ccccc1Br 2222447889 HWAJRYWCKHPLEC-QMMMGPOBSA-N 538.324 7.321 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2233974379 FIXVVWFVGIPHHY-CQSZACIVSA-N 531.839 6.606 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1csnc1Br 2234065999 JNHBWWDNZBTBMN-UHFFFAOYSA-N 500.441 5.567 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240431342 ICZBXTFKWMNMML-PSLIRLAXSA-N 528.047 6.103 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 2240994599 AGNTUPSJVCAREI-HNNXBMFYSA-N 554.991 5.623 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2I)c(Br)c1C 2253474297 GRHMUPNMNCZSEM-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Cc1cc([C@@H](Br)c2sc(C)c(C)c2Br)ccc1I 2253509221 NWUYKBPUBVENOV-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(Br)ccc1Cl)C(=O)OC(C)(C)C 2263388612 BFURXAJZCUXBCI-GOSISDBHSA-N 546.671 6.070 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1I 2269546844 OXVADYWBRYTOMB-AWEZNQCLSA-N 563.398 5.995 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(Br)c1Cl 2283556243 XATKFEIAWRBOIX-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2288346426 YHHJHEKJNQJYAJ-JTQLQIEISA-N 553.886 7.415 50 10 KKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1I 2295280218 YWBXZXOPBYZIRE-ZDUSSCGKSA-N 574.876 6.504 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2296038066 HEABLYYUPRSVKR-XMMPIXPASA-N 504.011 5.804 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCc1ccccc1 2296049279 ZLEFRZDQJSDCSH-UHFFFAOYSA-N 503.421 7.224 50 10 KKGE COc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296507065 RKNXPYICICBYNB-HSZRJFAPSA-N 534.435 5.523 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3F)nc12 2296724060 BRYVHMZDIHKITE-UHFFFAOYSA-N 540.370 5.035 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 2297534094 XTQATQYJAWFNPE-UHFFFAOYSA-N 593.627 6.852 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1c(Br)cccc1Br 2314456616 YFPAUEWCIIQXJJ-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592922 DPORNIZGLHNIBH-NIYFSFCBSA-N 550.511 6.914 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314616753 IZFIXULRKGUAFT-UHFFFAOYSA-N 573.609 5.681 50 10 KKGE COc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 2328799993 RSVOGLZMMOEEKW-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE Cn1cnc(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2337274096 GCWLLBMEVZGWIB-VIFPVBQESA-N 601.156 6.561 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2340799536 RRGLFFJQQQXBCK-FQEVSTJZSA-N 519.035 7.958 50 10 KKGE FC(F)(F)c1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361196727 ZXFXTUSNDVVEAQ-FQEVSTJZSA-N 500.152 7.531 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2364225855 DGUWQEDPFFLILS-VIFPVBQESA-N 530.244 6.482 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)CCc1cc(Cl)cc(Cl)c1 2366878886 UMIYAJUSQNFQPG-JTQLQIEISA-N 505.863 6.321 50 10 KKGE Fc1cccc([C@H](CBr)OCc2ccc(I)c(Br)c2)c1 2377622242 PAUCGYGDZJGVOX-HNNXBMFYSA-N 513.970 5.846 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCC)c(OC)c1 1935434 YXINGAZWLQCCNB-LDADJPATSA-N 510.999 6.198 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1COc1cc(C)c(Cl)c(C)c1 20615866 ULUOPLCRRYBIBQ-KKMKTNMSSA-N 502.354 5.870 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 29491651 HUGXOLVCNRYSIT-QOMWVZHYSA-N 595.725 5.904 50 10 KKGE CC(C)[C@@H](Br)C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)[C@H](Br)C(C)C)cc2)cc1 33353147 JHQYJMAHROAZLD-FGZHOGPDSA-N 554.319 6.662 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 38608023 HDZHLSUYVIOMQF-PCLIKHOPSA-N 524.596 6.002 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 40924841 GXHJCJKLQADTTB-AUEPDCJTSA-N 510.866 5.867 50 10 KKGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c1 48571930 DVOULJIXWQQFPS-HNSNBQBZSA-N 521.020 6.844 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061466 NRZFPLMAZNPHKV-UHFFFAOYSA-N 577.056 5.277 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 100236446 LTEHQMDPMQKXHE-WYDFGVIMSA-N 541.442 5.399 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccc(Cl)cc1)[C@@H]2Br 100935371 IVZITUCXSNTYKL-DQYPLSBCSA-N 528.510 5.642 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@H](C)C2 101193753 BHTSKLAKFWAGHU-YEQVNJDRSA-N 529.445 7.162 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 101244117 XPDCMOUSFRGXTL-VQCCMIKHSA-N 537.729 6.950 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246358 MZJBXFKRQGXMLN-UZEPBSNMSA-N 536.484 6.984 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337761 INIKGWUVEYZXJA-SRWDPJRNSA-N 619.747 5.923 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101339538 GLEKUPJMVMJVPJ-KCSSXMTESA-N 570.693 6.983 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 101339959 VGQOTHCSRNUWOR-JVWAILMASA-N 579.056 6.392 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 101368035 QJKJOKRFCSZAFV-SSEXGKCCSA-N 542.632 6.084 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379512 XTOORPZMTXGJLH-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381343 RTCWOTJQVNTSOQ-WEZXKFLESA-N 615.513 7.726 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1 101388464 YOVXBBGBCKNBIP-MGBGTMOVSA-N 613.066 6.529 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c(OC)c1 101392241 UIRPYLANRYJVNU-RUZDIDTESA-N 561.388 5.958 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCCC(C)C)c(OC)c3)c(C)c2c1 101393384 AFJOTDQURCKFOA-WJOKGBTCSA-N 566.654 7.175 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCC)c(Cl)c3)ccc21 101394683 GUOPECQAYXHZRL-SANMLTNESA-N 553.442 7.008 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)oc2c1 101398146 GBHKWVGZZWDDMJ-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598990 XKDHZPZMZRUSBH-STKMKYKTSA-N 548.426 7.410 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1OC 101730190 IKKBYRQMHYWIED-HKOYGPOVSA-N 576.715 7.422 50 10 KKGE CCn1c(SCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nc2ccccc21 104768490 ABUUXIQZBKBFLC-FSJBWODESA-N 540.281 5.309 50 10 KKGE Cc1cc(O)nc(SCC(=O)Nc2ccc(SSc3ccc(NC(=O)CSc4nc(C)cc(O)n4)cc3)cc2)n1 105334902 ZDWOBQHJGXFCEK-UHFFFAOYSA-N 612.784 5.556 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cc(Br)c(Br)s1)OCCCO2 128552503 ACAXKKPZKLZWRK-ZDUSSCGKSA-N 561.915 6.681 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 150476740 FYGJEVHAMUNMDP-VIZOYTHASA-N 720.088 7.235 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150486313 UDXQVTBXABIFGO-TXRXYBTHSA-N 659.566 8.295 50 10 KKGE CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C 196035182 KDMVHNWBBNDCOH-YKIHZAAXSA-N 691.243 13.428 50 10 KKGE CCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 198742748 FNUBDMLDAADFLI-YQCHCMBFSA-N 579.627 9.233 50 10 KKGE O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1 201707955 MPYFOPBFHMGXPI-YGIRKPQBSA-N 544.615 6.780 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205654359 JBTYHPVSKKVSPN-MXFWZIMISA-N 536.628 6.394 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205654850 BWYNPXONCYSBDW-URBYCWAPSA-N 538.644 6.800 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214298833 MIQWDQFMYGGBNF-COEJQBHMSA-N 590.655 6.276 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(SCCC#N)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 215368071 WFXRMNGTFFJLSM-YRSCNVKJSA-N 729.972 6.924 50 10 KKGE CCc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1CC 234195165 WWFJGXILFGSLFX-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE Clc1cc([C@@H](Br)c2cc(I)ccc2Br)c(Cl)s1 236068924 BNIWELDVKVGRPY-JTQLQIEISA-N 526.846 6.906 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 252633716 WFVVGCWKDFISFW-UHFFFAOYSA-N 620.171 6.995 50 10 KKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2Cl)c1 253482340 NAUUAGMHNZFWFM-UHFFFAOYSA-N 562.851 6.698 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 254618300 LBONZWZOOFMILB-PVHCUTGXSA-N 667.379 6.722 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1cc2c(cc1Br)OCC2 308441572 YHPPFRZQRJSPGK-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616590491 SAHJWPXTHJECLJ-LNALEXQMSA-N 755.034 6.751 50 10 KKGE Clc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1 721573823 SOXNYILDRDJDKU-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE O=C(N[C@@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725237994 BMNMOAFMSDJGMF-YKSBVNFPSA-N 580.028 5.607 50 10 KKGE CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C 888085234 RSHARCJKDILKNP-WNBHWUPZSA-N 691.243 13.427 50 10 KKGE COc1c(C)cc(P(C2=C[CH-][CH-]C=C2C2=C[CH-][CH-][C-]2[C@H](C)P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)c(OC)c(C)c2)cc1C 1083049496 IFYHYNRGSPGDKX-LJAQVGFWSA-N 925.751 13.122 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 1083984668 QNMPFUUBXURQDE-UDWIEESQSA-N 556.375 6.262 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1083997366 PPDYQAMJULYALP-NHFJDJAPSA-N 552.631 5.557 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C 1084079201 AEQXDOBIORQCDF-SFHVURJKSA-N 518.908 6.758 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1 1084103859 XGWKUYAQZQSYAT-UHFFFAOYSA-N 615.608 6.777 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084351116 NXOBBJONILDQDN-MFKUBSTISA-N 574.508 7.447 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084414282 UJSPYJZLMSMFAY-UHFFFAOYSA-N 654.543 5.427 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1F 1084597856 PTPLJPPNSBKQAS-PCLIKHOPSA-N 509.581 5.889 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1084640047 YUWURFNBOOYNKN-DHDCSXOGSA-N 522.215 7.433 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 1772719749 RWCFRGRPYSAVSD-UHFFFAOYSA-N 670.399 5.751 50 10 KKGE CC1(C)[C@@H](C(=O)Oc2ccc(C=NNC(=O)c3sc4ccccc4c3Cl)cc2)[C@@H]1C=C(Cl)Cl 1772721876 DWEFOAFZTVKXLF-QFBILLFUSA-N 521.853 6.815 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747415 OLXZHEVAOYLMJG-UHFFFAOYSA-N 507.590 6.376 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747822 RRNIEQRQJOEXQI-UHFFFAOYSA-N 542.433 6.740 50 10 KKGE Cc1cc(O[C@@H](C)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc(C)c1Cl 1772756306 SPBKCJXTRPZYCQ-SFHVURJKSA-N 515.835 6.216 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683616 GFMUNSRTNJAEDV-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684466 YXDCPJMTOSOVTR-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688517 UGPMELKMKFLASE-LJQANCHMSA-N 536.213 5.573 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689812 XBLQXPRTKLMTDZ-IBGZPJMESA-N 515.795 5.173 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689923 GPIQEOZCLXMPKA-VWLOTQADSA-N 503.389 6.285 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865690217 LOVOTEDKGXQYTB-NDEPHWFRSA-N 536.632 6.344 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865694093 UHNAIQJNHMNVGI-VWLOTQADSA-N 510.569 5.753 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCc1ccccc1C 1865703098 MXAKQUHGAHQOHM-MUUNZHRXSA-N 536.632 6.083 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704173 PHOZXIWIIDODEW-SSEXGKCCSA-N 528.612 6.394 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704322 SLVNWVUIRWNBOP-NRFANRHFSA-N 523.902 5.737 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865706183 PLXBSDZPJAOESU-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(OC)c1O 1865715219 ZHYXNHIBPFRIJV-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)nc(Cc3ccccc3)n2)cc1 1868207620 PJGTVCBLVOUFOT-MHZLTWQESA-N 522.653 5.943 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccc(Cl)cc3)n2)cc1 1868432913 AQQJCYPKXFXCEY-XMMPIXPASA-N 528.085 7.057 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)[C@H](c2ccccc2)c2ccccc21 1868455817 CTRBZVABZYWULO-JGCGQSQUSA-N 557.698 8.487 50 10 KKGE CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(OCc3cccc(CCl)c3)ccc2c1=O 1871437432 XNZFOWIKFMDMQB-UHFFFAOYSA-N 504.888 7.321 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755260 FNPRVMCKXOPCQP-JZBNPYPUSA-N 503.580 5.331 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872791144 YKTZNFKKDCFYHB-LGUFXXKBSA-N 502.639 8.395 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccc(C)cc1 1872791805 TVDPWYJUAGIGGZ-ZVHZXABRSA-N 510.615 6.932 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)CCCl)cc1Br 1915069439 KNUJSJQWBMSADR-AWEZNQCLSA-N 509.691 5.728 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1csc(Br)c1Br 1916395574 UDQYAQZXFVDOOB-GFCCVEGCSA-N 526.088 5.325 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923054512 GOSVZLRLCITLGQ-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Cc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924589617 DCQRGSKPVOZGQV-VIFPVBQESA-N 538.324 7.482 50 10 KKGE C[C@@H]1COc2ccc([C@H](Br)c3cc(I)ccc3Br)cc21 1925756244 NRBBPMHEWVGIEC-ABKXIKBNSA-N 507.991 6.034 50 10 KKGE COc1sc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 1946729177 IYHIEGQOLADGKS-QMMMGPOBSA-N 525.907 6.590 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CC(=O)CCl)c1I 1952649310 WGHCWEGYOGZLPW-UHFFFAOYSA-N 661.443 5.198 50 10 KKGE F[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586447 QSBZEGZVTBWXEP-VVJJHMBFSA-N 513.768 6.372 50 10 KKGE CC(C)n1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2059311872 CJEMYKDAMKYSSF-UHFFFAOYSA-N 518.521 5.287 50 10 KKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)CC(F)(F)F 2059388391 NDNJXNAOPZDQIL-UHFFFAOYSA-N 501.162 5.097 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2csc(Br)c2Br)c1Br 2083337133 GZFJOEPSAJAHOI-LLVKDONJSA-N 538.324 7.435 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1csc(Br)c1Br 2093948222 WSYMYYZDAJYWPI-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccccc1I 2097824930 RJRGHTOPQIXHCC-JTQLQIEISA-N 518.389 6.525 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)ccc1I 2146630363 WKYGBZZAPUMABY-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2c(Cl)cccc2Br)c1Br 2169461143 HWSQUBOEKNAWNA-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Cl)c2Cl)c1Br 2201068617 GSGQFLXNGQAQQD-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Brc1cccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222469413 BIYPNWPFDRUCMK-MRVPVSSYSA-N 582.775 7.477 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2226836029 UWYARRWIJOVBPZ-XIDCRBKBSA-N 584.766 7.130 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1I 2232836597 JEDHUXYNVDEUMO-INIZCTEOSA-N 572.904 7.226 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)cc1C 2236017414 KJXUTCSULRRLTN-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2268278273 NOSYQVXCXXSHFQ-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Cl)ccc2I)c(Br)c1Cl 2283555757 TUXCASHVCCIPKH-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448741 KBZMYEVZDKONOS-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(O)c2cc(Br)ccc2n1 2314487174 DHWLEMJKTIEGQA-UHFFFAOYSA-N 544.412 7.168 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314591752 CZDRBHLOKRLXQH-AREMUKBSSA-N 516.066 6.837 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593497 NYZPDEWRPGPITA-QFIPXVFZSA-N 500.451 5.845 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314618802 UPUXVCSIDYUZEA-SANMLTNESA-N 608.673 7.611 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)nc(C)n2C)c1Br 2315630121 MLIOKYYQGOLRPK-SSDOTTSWSA-N 521.898 5.870 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)OC(C)C)c1C 2329699331 DOFWZHRJLDKQCX-UHFFFAOYSA-N 505.390 5.107 50 10 KKGE CC(C)OC(=O)c1ccc(C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)o1 2331049728 MYFXLVNCDLKNHF-LJAQVGFWSA-N 501.586 7.265 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCC(=O)N(CC)CC 2331457886 SFNPAOMPNCSGKK-UHFFFAOYSA-N 503.668 6.644 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccc(C)cc1 2331488498 APYNUWPGHJOPOU-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2cccc(OC)c2OCc2cccc(C)c2)n1 2331491755 KANAVONKUBVYBS-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2338031504 KPXSFKXOGVFVAQ-AWEZNQCLSA-N 534.482 7.205 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)ccc1Br 2365184875 GMHNQVPJGZXWNK-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Clc1ccc(COc2c(Br)cc(Cl)cc2CBr)c(I)c1 2366707267 PCJZOZWCEVCOCZ-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 20826794 QKXWAVMLGZTIND-UHFFFAOYSA-N 518.646 5.379 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 35445933 VCKVCXPQCHDILL-TURZUDJPSA-N 513.688 7.078 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)c1C 38684700 SMYVUOQGIYGXKW-PMERELPUSA-N 512.606 5.931 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684774 URDHICOJCHRCKO-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(=O)OC)cc3)c(C)c2c1 38700905 QKZAAMRBBGYNAD-AREMUKBSSA-N 508.530 5.528 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 59166713 PIFRKIULVHNEKL-WNKKYWSISA-N 529.640 5.972 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1 97915148 ATFPSOKKZXSEFT-AREMUKBSSA-N 505.124 6.465 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 100186840 PDICZEIUSPWHHQ-UHFFFAOYSA-N 564.546 5.782 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 100188401 GLBSKFPIOVLLJP-UHFFFAOYSA-N 556.295 5.238 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3Cl)cc2Br)cc1 100233402 CHKRJMDRCCPJOG-DVMDLWDRSA-N 589.914 6.443 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100335778 YQUGATCHOCAOQR-LZYBPNLTSA-N 613.666 7.385 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242204 ZKJBEZNUCXWTHA-HEQFHQOESA-N 540.472 6.452 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243867 YBKLRKOKAAHFTQ-VAMWZUOXSA-N 515.610 5.528 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 101336173 FDILIANBUCSWSG-YZSQISJMSA-N 556.638 5.875 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 101338625 YFQVWIPWHJMJOD-PCLIKHOPSA-N 541.051 6.516 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 101364905 ALHJCHOYMMDURS-HSZRJFAPSA-N 536.198 6.503 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 101370854 YQHHFNIWKRGXPG-HXUWFJFHSA-N 516.178 6.193 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1Cl 101379900 KTWSOEGHZUVQSX-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380877 OEKCHTWGBTZPBH-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381212 TVYXYSITYGKUNB-HKBQPEDESA-N 601.486 7.799 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)ccc1Cl 101384361 SLIRWFMBFJYKON-WJOKGBTCSA-N 571.004 6.569 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385182 XPYKOPGAYTURQR-PMERELPUSA-N 536.559 6.159 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385838 HSGVQJBMURQXBK-UMSFTDKQSA-N 625.121 7.428 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387037 PLJHSBQWZCMRAB-HKBQPEDESA-N 570.548 5.755 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389801 VXHSCSCZXIHWBW-SSEXGKCCSA-N 605.449 7.548 50 10 KKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 101652329 DJQQKYCOJMWPGV-YWJDCOKXSA-N 541.239 6.564 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 103741920 XCDVITOUQLVFKB-CHTIKVTKSA-N 546.490 5.543 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 103806414 XWXQPYMCBUIILQ-FJEPWZHXSA-N 589.058 6.420 50 10 KKGE O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 103878942 ZNPPBZIQRRDKRI-KKMKTNMSSA-N 572.209 5.999 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)cc1Br 128736194 GTKAXDIMTBJWCS-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)cc1Br 128742197 LNIRPPGWAYTLLA-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)cc1Br 128825519 RTUVREASJGXATL-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 150431051 JDBMEGKGRNROSM-KVSGHJDXSA-N 734.372 6.991 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433766 NMGBLXBSEVZXBR-YTTGMZPUSA-N 659.497 8.602 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 150478091 OQWVCJWXIZRMHW-HKBQPEDESA-N 649.958 8.842 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479298 KZUGQETUTSYYBR-PMERELPUSA-N 652.328 7.537 50 10 KKGE N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(OC(F)F)cc3)cc2)cc1 150633769 CUTZNQMGPARVGW-BOYKQRMESA-N 690.631 6.814 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 233785445 IOTHXPOPVRGQIV-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 234864117 YFKOLOSVEJYVLN-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE Clc1cc(Br)ccc1COc1c(Br)cc(CBr)cc1Br 236039698 CXXYWNLGCFNCTF-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 236051004 SOUNCUKXSYHKCP-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 252598723 DCRFUSFXIFQSKS-UHFFFAOYSA-N 621.410 5.200 50 10 KKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 252620800 MMIWQTNZFYFFJE-UHFFFAOYSA-N 526.401 6.343 50 10 KKGE CCOc1cc(C=NNC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 252629160 TZQBCULHYFSHLD-UHFFFAOYSA-N 570.396 5.121 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498439 JTGHSJQVBHQKPC-FNHAHUJCSA-N 700.725 12.051 50 10 KKGE biogenic C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253572074 PTJWFOTZAXAJLZ-FMFFXOCNSA-N 583.766 5.111 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2cccc3ccccc23)cc1 254402490 DMIJKLUFGJZFNJ-UHFFFAOYSA-N 504.590 6.010 50 10 KKGE COc1cccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1 254808291 OTYTVPUDHOSGTC-LJQANCHMSA-N 626.524 5.432 50 10 KKGE CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028281 CMJLQFMNQFOMJO-UHFFFAOYSA-N 549.516 5.788 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1 312324011 HUCDNYGKFGRMQS-CQSZACIVSA-N 575.409 5.968 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)cc(Br)c2)C1 382729529 SZSMNBFDTKRBGB-BXUZGUMPSA-N 545.053 5.597 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(I)ccc2Br)c1Br 383643923 MGQLKWRRGINXSG-SECBINFHSA-N 604.849 7.381 50 10 KKGE Clc1cc([C@@H](Br)c2sccc2I)c(Cl)c(Cl)c1Cl 405041150 YNSWHXWWKXIKRG-SSDOTTSWSA-N 516.840 7.451 50 10 KKGE CC(C)(C)c1ccc2c(c1)O[C@H]1C[C@H]2c2cc(C(C)(C)C)cc(P(c3ccccc3)c3ccccc3)c2O1 642814219 QMSLYBDHKBWSIO-AKGWNBJDSA-N 520.653 7.673 50 10 KKGE O=C(O)COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 675030847 RYOOGRHOCLWFAQ-PPDIBHTLSA-N 578.455 5.236 50 10 KKGE CC[C@@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 725432659 KASDHRXLYQOAKZ-HXAZBGECSA-N 810.466 5.719 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083816849 YXADDVIQROVGOJ-XNBWIAOKSA-N 630.892 6.196 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817672 XIJUVZWMRLQMRZ-BCVSNVSMSA-N 834.994 7.822 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1083937388 INTYZRGFVUDRBR-UHFFFAOYSA-N 604.036 5.891 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(F)c1 1084002656 MDTHMYIYAHBACD-HZHRSRAPSA-N 611.455 5.664 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1 1084280871 BVUTZAPEZGHOLG-UHFFFAOYSA-N 512.012 5.420 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1 1084377934 PYEJUPAXXLNKJK-XDHOZWIPSA-N 576.705 8.262 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)cc1 1084377947 YWHKUBCMXXDCRR-AREMUKBSSA-N 616.496 5.940 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 1084378473 IMVDWOAIUXSIJN-NDEPHWFRSA-N 548.481 6.123 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1Cl 1084387081 ZQSSJTIKPGVTPI-SFHVURJKSA-N 569.522 5.508 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 1084492354 DRFTZMRZAHHZOH-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1ccccc1OCc1ccccc1Cl 1084585250 IWFBOVBFXTUVKP-UHFFFAOYSA-N 518.828 6.485 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 1084636975 VARHVAKBMOUEAO-QFIPXVFZSA-N 623.285 5.605 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2ccccc2o1 1084647533 OQAZVGJUFRWHOK-UHFFFAOYSA-N 620.197 6.051 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Oc6ccccc6)cc5)c(C)c43)coc2c1 1772752174 WWDZIVUGFGGEES-UHFFFAOYSA-N 561.638 7.395 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(Br)cc3Br)cc2)cc1 1772753820 KPMBCQJNTZHYQB-UHFFFAOYSA-N 532.232 5.628 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(Br)cc3C(C)(C)C)cc2)cc1 1772754499 WYDOOYKTUKNWEN-UHFFFAOYSA-N 509.444 6.163 50 10 KKGE CCCCCC/C=C\CCCCC[C@H](CC(=O)O[C@@H](CC(=O)OC(c1ccccc1)c1ccccc1)CN(C)C)O[Si](C)(C)C(C)(C)C 1848434860 OWWXMQBBDRZOAG-HKKZMTMSSA-N 680.059 10.440 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440683 XBIQPYOHWXHGHW-ZAAHPHBPSA-N 572.947 9.442 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865687569 VDXUADMKXNLQKX-SSEXGKCCSA-N 514.585 6.140 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865693045 HJLHVSQNNJLBHQ-SFHVURJKSA-N 519.321 5.661 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865693265 TYHKCJGWPIFVFI-XMMPIXPASA-N 555.448 5.937 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865694513 YQRGHLRPBQOBPT-VWLOTQADSA-N 527.024 6.267 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696974 MHHMLSQRTSUXIV-GDLZYMKVSA-N 550.659 6.238 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OC 1865697569 WTFUONZYKVABTE-NDEPHWFRSA-N 554.622 6.152 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697581 XEDQLUCGQZUIPH-MHZLTWQESA-N 540.595 5.760 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1C 1866775762 PDNBCOAHBKYCLJ-LSYYVWMOSA-N 501.652 6.203 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007910 PPHYAZIOFMNBAH-WUFINQPMSA-N 564.176 7.244 50 10 KKGE CC[C@@H](CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 1867139751 YOSZMRZQVRMAJW-HFJWLAOPSA-N 552.494 6.411 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867202417 RHULECBGWMBEHU-CLJLJLNGSA-N 550.522 6.518 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432896 AAFGADKBADKGOR-RUZDIDTESA-N 539.064 6.060 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCCc1ccccc1 1872794201 OXPKQDXXXDLQLU-HYARGMPZSA-N 517.050 7.475 50 10 KKGE Cl[C@H](Cc1ccncc1Br)c1ccc(I)c(Br)c1 1924066920 NGAROSSPEPKGLJ-GFCCVEGCSA-N 501.387 5.734 50 10 KKGE Cc1sc([C@@H](Br)c2csc(Br)c2Br)cc1Br 1937734520 KOUMBDRQNHXFMZ-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Brc1ccc([C@H](Br)c2sccc2I)c(Br)c1 1994134924 IXKCRUMGOJVGOL-JTQLQIEISA-N 536.852 6.362 50 10 KKGE Cl[C@H](c1ccco1)c1c(Br)c(Br)cc(Br)c1Br 2025784171 ZPMPHRVIDMDRJA-LLVKDONJSA-N 508.229 6.658 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012751 KCNRWKPWPLPNNJ-HXVKXJQVSA-N 686.698 11.661 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1C1CC1 2085492478 LXPYLSVGCAZGGO-FWXDICJISA-N 522.300 7.063 50 10 KKGE FC(F)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085492770 RCVZNNUGKNLDMX-SECBINFHSA-N 532.242 7.062 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CC23CC3)c1Br 2086421735 PBJHHHVITFUFBN-RNFRBKRXSA-N 566.751 7.363 50 10 KKGE FC(F)(F)c1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2101414442 UQTGFXBGKINDAV-RXMQYKEDSA-N 563.878 7.600 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)C1CC2(C1)CC1(CCC1)C2 2157156259 KZVBAGPBHICNTP-NSHDSACASA-N 503.525 7.676 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2206396414 WLWMARGDNNLIAQ-NOZJJQNGSA-N 596.777 7.132 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)cccc2Br)c1C 2218781593 OPIXKUXKJLXPBS-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Cn1ncc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2224307240 LMOLWLIZVNBXOA-QMMMGPOBSA-N 514.803 6.076 50 10 KKGE Cc1nc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227350632 IJUOAGOZMJEPCZ-NSHDSACASA-N 532.921 6.840 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1I 2232834839 WSCZBBTXMJIMJR-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nscc1Br 2260001974 QPYQUOMNELZLKA-MRVPVSSYSA-N 526.820 6.193 50 10 KKGE Clc1c(Br)csc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263513644 QCFACAKIHWUOJO-SECBINFHSA-N 538.324 7.368 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2c(F)cc(Br)cc2F)CC1 2271572309 SJYSNSPHHMYYNX-UHFFFAOYSA-N 546.190 5.449 50 10 KKGE C[C@H](Br)CN(C(=O)c1cc(I)ccc1Br)C(C)(C)C 2272453013 ONJVZSJXBSRNEL-VIFPVBQESA-N 503.016 5.078 50 10 KKGE CCn1nc(C)c(CBr)c1Oc1c(I)cc(Cl)cc1I 2281298198 SBVODHFKMMTXKG-UHFFFAOYSA-N 581.417 5.761 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 2295489450 ANKMUMPJIKVNBD-UHFFFAOYSA-N 590.680 5.600 50 10 KKGE CCn1c2ccccc2c2cc(NC=C(C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)ccc21 2295945823 AGCIEGZPICVURZ-UHFFFAOYSA-N 567.468 7.783 50 10 KKGE Cn1ncc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299501521 OTNPKPWPHNNZHL-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccccc1 2313557152 VLANPBJIYQQWRM-UHFFFAOYSA-N 573.447 5.222 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313724757 ZLOWKPYBKWZUDR-UHFFFAOYSA-N 502.741 6.680 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314441651 AMDAMKMQWULKOA-FQEVSTJZSA-N 576.041 7.256 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OCC)cc1 2314592807 CATYMYWKJGQTNW-NRFANRHFSA-N 502.423 5.121 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 2314616882 LYRRXOLVCYDFFX-UHFFFAOYSA-N 530.621 5.956 50 10 KKGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314619055 ZECASTWVQMZKRH-QFIPXVFZSA-N 506.986 5.089 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634322 CCBREUXBLJWZLT-WJOKGBTCSA-N 524.617 6.491 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)sc(C)c1-c1ccc(Br)cc1 2314792605 AXISMDPNXWWWIY-UHFFFAOYSA-N 523.452 6.942 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1ccc(Cl)cc1I)C(=O)OC(C)(C)C 2317811594 VGRTZGJDSAJKEG-GOSISDBHSA-N 546.671 5.872 50 10 KKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2325408295 XAFMFQVNOHUODH-UHFFFAOYSA-N 539.217 6.095 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1OC 2331429946 YLFRZVMOOBBISI-UHFFFAOYSA-N 520.246 6.807 50 10 KKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2338759705 YVROAAPNBOKVRL-MGPQQGTHSA-N 504.000 5.154 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nn(C)nc1Br 2339647844 FIKHSDGPEVUDNU-QMMMGPOBSA-N 520.820 5.034 50 10 KKGE CN(Cc1c(Br)c(Br)nn1C)c1cccc(Br)c1CBr 2364336939 TYOOLEBYBBWQNC-UHFFFAOYSA-N 530.884 5.239 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)ccc1F 2365185102 HTFBLJKNTPPWNQ-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCCC2)c1scc(Br)c1Br 2369631059 DBXQYVVZXOCHFD-ZDUSSCGKSA-N 501.465 6.689 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cnn(C)c1I 2380946710 JSNSBWAVTSMCGU-AWEZNQCLSA-N 512.027 5.703 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1 3091671 PTRNHLXWLNZFQU-KCSSXMTESA-N 504.602 6.288 50 10 KKGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1OCCc1ccccc1 10510731 KTVHOMKUOCGLGY-UHFFFAOYSA-N 510.040 5.126 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(C(C)(C)C)c1 14661756 GJSXOZJSENBBKS-UHFFFAOYSA-N 501.627 5.374 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1OC 33307294 RGSDTOPVHHJOHU-OYKKKHCWSA-N 520.010 5.607 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 33379418 KBJZDBJWDIFTTF-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 34793348 QWUWPYQBFIAZRQ-ZHZULCJRSA-N 514.478 7.545 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c1 35446799 QQOSADAKANRMGS-LYBHJNIJSA-N 506.606 6.663 50 10 KKGE N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 35518090 NUGOLIPGONMHIA-GZTJUZNOSA-N 501.361 7.003 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650832 CXAKAOZLLWTQMS-MYUZEXMDSA-N 502.542 5.596 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660872 JGNMGJPJCRDXKK-SSEXGKCCSA-N 516.553 6.481 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701277 FCRGBUOKOLIGCG-MUUNZHRXSA-N 522.601 6.974 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1 100207426 LJZSLIINJNOVLM-UHFFFAOYSA-N 584.536 5.217 50 10 KKGE COc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 100869377 RSUKHEMJCQQDMW-OAUYIBNBSA-N 510.064 5.320 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2ccc(Br)cc2)cs1 101194022 QJYCGSZWWBAAOQ-WOJGMQOQSA-N 518.823 8.098 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362394 LASDARMJHPCKPV-ODMPMCBYSA-N 534.999 6.756 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380409 RAFNODGYUKVXNF-UMSFTDKQSA-N 556.593 6.924 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)c1 101396550 DMFHGCHRSXNOMI-LJAQVGFWSA-N 595.523 8.179 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101397901 SNYOPZBMLNYYOQ-NDEPHWFRSA-N 591.422 7.157 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101398739 QABUVFTXQXMMEA-MUUNZHRXSA-N 583.040 7.710 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 101767622 FFGAKBPIKVAGPQ-RWPZCVJISA-N 560.286 6.272 50 10 KKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 102666330 AESPXFCPZQPPLF-YALBQKEFSA-N 528.848 6.712 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 103725337 APHYPYKVEWZNKB-WJDWOHSUSA-N 529.445 7.305 50 10 KKGE COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103740787 RGESCQHPLKSPSB-FZZGJVLGSA-N 541.498 7.511 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 103742767 CPGVWGWJFXQODN-QPQMVVSWSA-N 536.426 5.331 50 10 KKGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3ccc(Br)s3)sc2c1 139223765 CAXCUMZQMZWQBP-AWQFTUOYSA-N 523.415 5.780 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 150482640 KSIKWDSCCQXNBV-HHHXNRCGSA-N 633.940 8.878 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1F 150484906 OPNGJXALQKUINP-VWLOTQADSA-N 642.508 6.311 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 161075500 VSMKWICQURHWQC-CQSZACIVSA-N 513.849 6.467 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214349624 YWUGPVXKKHQHBL-GTWSWNCMSA-N 556.666 6.470 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2Br)cc1Br 235813023 SUGCRJXQDQXBSX-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cc(Br)c(OC)cc1OC 252598786 DDYOTNIEZUGYHC-UHFFFAOYSA-N 595.523 5.252 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccc(F)cc1 253560952 BMAVKSQALYYXFM-RUMWWMSVSA-N 501.650 6.556 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)[nH]n2)cc1 254380273 MCPFCZYKCVBLMJ-UHFFFAOYSA-N 536.629 5.522 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2OCC)cc1 254441989 YNLKRFGWYQRZBY-UHFFFAOYSA-N 582.653 6.201 50 10 KKGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254609135 YADRYIUFZNLZKM-UHFFFAOYSA-N 505.549 5.591 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(C)c2I)cc1Br 300473953 ZLWIDDVCXDXDHV-CQSZACIVSA-N 514.426 6.761 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1[C@@H](O)[C@@H]2O 575626901 ACJHNDYFTFXEOF-DPAUVROBSA-N 984.181 5.736 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084055073 QTANOFSIGBLKMV-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1 1084148464 PTTKFUSNHMORGA-AREMUKBSSA-N 564.423 5.987 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084250149 RHMLNBNROIKLRE-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1 1084285962 JVIVIAOKRLUSQO-HYARGMPZSA-N 613.293 7.215 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1 1084362634 LGDPMUDKLYTCJZ-AREMUKBSSA-N 690.319 6.592 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084416280 GPAHLHDIHLOYMA-CAOOACKPSA-N 517.199 7.297 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084552251 NSGFZWBTQQCGIB-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE Cc1cc(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)ccc1I 1084553839 POZSEJOABJLGGS-UHFFFAOYSA-N 539.339 5.719 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1084607621 UESAMRKHSPACAP-UHFFFAOYSA-N 608.116 5.590 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653272 JXPQCVHSTUWRIO-GDDHYYISSA-N 532.065 6.042 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2OC)cc1OC 1772720816 YVJHJALMCZYJAQ-UHFFFAOYSA-N 561.594 5.911 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865689044 IQAIJOFIRXVEAS-GDLZYMKVSA-N 524.596 5.883 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865689137 KYJSUDPLAITRFB-LJAQVGFWSA-N 524.596 5.883 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690418 QRVYTRHDQUARIQ-PMERELPUSA-N 540.623 6.404 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700964 IMBRNLMGIXOBJD-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701100 LWCYMGBFFFKWBI-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865701152 NOELIPULJSKANE-HHHXNRCGSA-N 531.443 6.652 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703768 FJBQQYAXGPVFSE-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704685 BTWFGCZQHBCCJU-VWLOTQADSA-N 512.997 6.207 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCC(=O)N(CC)CC 1865706753 DVLLAESONIMHQO-MHZLTWQESA-N 564.086 5.011 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709645 ZCSHNGWILLCSNY-GDLZYMKVSA-N 557.695 5.138 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709904 JQHFLHUQGTYJMI-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865712661 DXNODFHKXUVJND-QFIPXVFZSA-N 518.360 6.032 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714028 BCARCWUTRVWKMQ-HSZRJFAPSA-N 575.419 5.251 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866764171 PVCRMXQEDJOVOG-LJAQVGFWSA-N 557.622 6.132 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1868342067 JDWWYNHMDZOZTF-UHFFFAOYSA-N 547.088 6.121 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccncc4)C3)n2)cc1 1868545321 VNUCZGGEQGMQND-AREMUKBSSA-N 522.678 6.731 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1C 1872756519 NPQCOLNOGCONFB-FLFQWRMESA-N 514.072 6.205 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OCC)c1OCC 1872758277 TVEUFMHMQPRAQP-XLNRJJMWSA-N 505.423 7.263 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 1872759631 UXLHIYSZZJAFQG-LNVKXUELSA-N 508.640 6.785 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1OC(C)C 1872784474 NXGZXBXUJJIAFT-LZYBPNLTSA-N 500.374 6.341 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925549294 TWSHUXUQGWKRKV-MRVPVSSYSA-N 511.863 7.512 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCOC1 2085496233 QIERURKQYOFTFQ-SREIQFSDSA-N 526.288 6.443 50 10 KKGE FC(F)(F)CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496639 XJMFMLCPHKJVBE-SCSAIBSYSA-N 582.672 7.515 50 10 KKGE CO[C@@H]1CC[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467991 FQSAQTPPMFRCBZ-BDODKLCJSA-N 540.315 6.832 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@]23CCOC3)c1Br 2141468658 MHSRUZNGWFKHMM-ULTOFOOGSA-N 582.750 6.599 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2141476329 ZJOUQMHLMUQURU-SMOQUIODSA-N 582.750 6.742 50 10 KKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1ccc(I)c(Br)c1 2163750137 DFEPDKCJFCSYGK-JQWIXIFHSA-N 515.027 5.127 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2F)cc1Br 2169669110 XMWKFCVWADFYAV-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2193090348 FADRLCMBGHYSFV-IJAJPTPBSA-N 563.853 6.582 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2scc(Br)c2C)c1Br 2226121561 ANOOUOJUTZIIRI-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1I 2232836099 CJZKKLSPDVWUJA-LBPRGKRZSA-N 536.379 6.778 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2265967840 UMTUNPFPGJPVQH-CYBMUJFWSA-N 531.933 7.643 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346890 NDCUCQVWEZCEBL-LLVKDONJSA-N 584.793 6.718 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1OC 2296507114 UDUFSQFQJRKKEV-AREMUKBSSA-N 548.064 5.142 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2297458568 DNCHLNOAKYPPKO-OAQYLSRUSA-N 516.381 5.468 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)sc2c1CCCC2 2297461675 AWCBRWJKDTXMTO-UHFFFAOYSA-N 514.470 6.666 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NCc1ccccc1 2313541215 GSROCHIMTLYUCY-UHFFFAOYSA-N 620.228 5.698 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1 2313568713 YBEHBHBECKXJFP-UHFFFAOYSA-N 642.335 6.197 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc(Cl)c1 2313670838 ZTDKRTGOCGFZLX-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591699 BMIVVUZRZGSYCR-XMMPIXPASA-N 522.457 6.675 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592903 DIJIYJUJNARCRA-HSZRJFAPSA-N 525.552 5.603 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314617197 SNQKISHHXABKGO-UHFFFAOYSA-N 555.078 6.906 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314617218 TVAQZCYUTCDSGP-UHFFFAOYSA-N 532.637 5.362 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314617456 YRYTXDZGFIKHQW-UHFFFAOYSA-N 541.449 6.227 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618665 RGGBUCDRHCULEC-UHFFFAOYSA-N 552.675 5.901 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634746 FCEOOJYZMVZZOZ-YTTGMZPUSA-N 538.644 6.800 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C(C)C)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 2314753601 CCEJBPNTASLLSY-UHFFFAOYSA-N 503.580 6.478 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(Br)c1 2317417787 JJCKXXXYBKKIRG-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE C[C@@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 2324897013 LCLQWXMJTXYGQR-MIEAJJKCSA-N 508.710 5.522 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)OCCc2ccccc2)c1C 2331123716 KXZLHWIPQCIPTB-UHFFFAOYSA-N 562.644 5.204 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1C 2331259907 QOKNQFBUFKAQKB-UHFFFAOYSA-N 511.534 6.017 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)cc1 2331273536 NSOPMPYGDWPHGI-UHFFFAOYSA-N 505.821 6.886 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1OC 2331417955 DDMAOLMHZKHDRE-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Cl)c1sc(Cl)cc1I 2363891695 KBFIEZYZZHZYCN-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE BrC[C@H](OCc1ccc(I)c(Br)c1)c1cccc(Br)c1 2377594724 LDNQBMXXEFBSLM-HNNXBMFYSA-N 574.876 6.469 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14640687 RYBHHBZUDZQQIQ-UHFFFAOYSA-N 518.235 5.555 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 34737827 SSVGJKAKBNQBAK-YVLHZVERSA-N 501.892 6.083 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608807 NDXYXEVIZRSRKL-MFKUBSTISA-N 527.020 6.419 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655877 KTGWYLMTWGYSPF-VWLOTQADSA-N 509.389 6.610 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(OC)cc3)ccc21 38682843 DFMXUXPYCZBADR-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38686046 JIIZANLNJWXDBZ-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 38686329 GCFAXRKUGXWPKN-AREMUKBSSA-N 514.990 6.418 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c(OC)c1 38688453 ICQRYTMMILQIBA-HHHXNRCGSA-N 510.546 5.813 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OCc1c(Cl)cccc1Cl 40888732 TURPNOBMOMGNND-VFLNYLIXSA-N 501.410 6.035 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(COc3ccc(Br)cc3)c(OC)c2)c1 97499161 VUGNNLOINXWYAM-MOSHPQCFSA-N 507.384 5.981 50 10 KKGE CCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100150606 GXUXZXMAAXATNT-UHFFFAOYSA-N 550.519 5.030 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1 100210964 AEPPDCYFAFQKTP-UHFFFAOYSA-N 536.492 5.145 50 10 KKGE O=C(Oc1ccc(Br)cc1/C=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 100998797 HAKABMAYJUEWTA-YDIKRJTPSA-N 618.325 6.887 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246574 YHKNENKRWLAWRN-HVCOVSINSA-N 600.062 7.556 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 101336494 JGWJAGQIOFWVEE-AFUMVMLFSA-N 550.018 5.779 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101339706 YIYMAYPBZRAYRT-UXHLAJHPSA-N 614.702 6.794 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101367959 CBWXVAQMVRULGR-GDLZYMKVSA-N 559.575 5.375 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101368151 RMPHCDWJYUSIBO-KCEHZKJRSA-N 570.686 6.979 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 101374235 DVVRUUGSYZGJLK-JGOUQMSHSA-N 565.453 6.874 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101375613 FJESGVRYZHCJJJ-XIFFEERXSA-N 584.713 7.661 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381712 GOHRUXCUSQZXBZ-KEEVHDRGSA-N 536.559 5.996 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384795 VLPITVFSDATLOF-YTTGMZPUSA-N 615.513 8.189 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385367 HDHNRWWCWFIMQM-KTBRYMIGSA-N 580.612 6.313 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101385538 BWQFUDCRUASZFU-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)c(C)c2c1 101396432 FCVQETQWXAUISM-PMERELPUSA-N 536.628 7.166 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101397208 DHVNPSUNSXRHJX-PMERELPUSA-N 615.524 8.290 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-] 101494415 ZBQPZYQDHJFPPW-UHFFFAOYSA-N 580.182 5.317 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101713595 RYKXTTJVRJBWEN-WKULSOCRSA-N 574.313 6.617 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 101733814 LGHMFLWAWBSZOK-NCELDCMTSA-N 564.638 6.212 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1OC 102924038 NGXNHGAEWJZUDE-QRQIAZFYSA-N 560.675 8.049 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743093 RZLSUHJYYASERO-SJUMRLIPSA-N 536.484 6.087 50 10 KKGE Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 103816544 NQVRRJGMYVZIPD-WSDLNYQXSA-N 586.486 7.939 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1 103877449 FCKFAGNLEIXWRD-SEBMTOOBSA-N 622.563 8.265 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2ccc(C)cc2)cc1 109557440 HGLGVMZFLOGXJE-ULJHMMPZSA-N 580.691 6.651 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Br)NNC(=O)COc1ccc(Cl)cc1Br 150392206 AAMQFXWQGOHGQL-UHFFFAOYSA-N 711.235 5.002 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 150571752 AQCGYPDAJUYTJQ-MOHJPFBDSA-N 660.730 5.076 50 10 KKGE c1ccc(N(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1 196176488 YKKBLYRNQRSRQV-UHFFFAOYSA-N 517.593 6.759 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 205782833 XDSFYSVXCXMUTG-UPKGHWAZSA-N 660.708 5.219 50 10 KKGE C=CCNC(=O)c1cc2ccc(OC(=O)/C(C#N)=C\c3ccc(OCCCCCC)c(OC)c3)cc2oc1=O 206541091 XSNXICGELSLFJO-JCMHNJIXSA-N 530.577 5.189 50 10 KKGE C=CCOC(=O)C[C@H](C[C@H](/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 206567200 HOCCCCYDOXNZRG-SQJYCXMMSA-N 750.139 9.105 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cccs1 207996892 ONXJXGXHUDUMBF-SKCUWOTOSA-N 598.165 6.630 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214347676 SAYTWDGDBQTFEL-CEUNXORHSA-N 528.612 5.691 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 214364558 QBMYMGLFSLFBBY-IMRQLAEWSA-N 552.650 6.782 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 252585887 LWUROOUYMHVPCL-UHFFFAOYSA-N 562.851 6.698 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253575365 UMUDXPFLHWWYTM-IPPBACCNSA-N 646.946 5.071 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 254514360 UYRAREIZRBYBOO-UHFFFAOYSA-N 530.628 7.199 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(I)cc2c1OCC2 302467282 FNQIHLMGWJXGEP-NSHDSACASA-N 534.438 6.141 50 10 KKGE ClCc1cnccc1Oc1c(I)cc(Cl)cc1I 310751869 VOPYXTZBZFXVLM-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(I)cc2c1OCC2 312426071 ZOGWYOWTEUGLBB-CYBMUJFWSA-N 528.409 6.126 50 10 KKGE FC(F)(F)[C@@H](Br)COc1c(I)cc(Cl)cc1I 379947411 ZFQHRYUAWUMAGS-ZETCQYMHSA-N 555.297 5.254 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232532 YQVJBMURKHNOBB-USOGMQDGSA-N 649.379 6.032 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)c1 616584305 PXMLXQYONZFAGE-MHZLTWQESA-N 526.914 8.246 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)s1 688087423 SISCGUAPCOFLJP-SECBINFHSA-N 539.934 6.728 50 10 KKGE Fc1ccc(Oc2c(I)cc(Cl)cc2I)c(CCl)c1Cl 705751919 OHIQHVIODXYYFZ-UHFFFAOYSA-N 557.355 6.873 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817433 AQLURWHBCUUICR-XRRBJOBESA-N 710.852 7.267 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1083905449 NYKSAIAWLNQFES-UHFFFAOYSA-N 607.029 6.251 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1083912864 PHXIDPSTLVDOAH-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1083965209 CDSWNRZKYPQLHT-QFIPXVFZSA-N 638.256 5.505 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc2cc3ccccc3cc2c1 1083999749 WOCWUZUSDQHQHN-UHFFFAOYSA-N 542.702 8.502 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084007600 LWSAPVNCWZNGAQ-UHFFFAOYSA-N 503.769 6.745 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Br)cc1 1084027812 FNNYCXRYPRYFIO-JCMHNJIXSA-N 505.412 6.535 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl 1084035582 DWFHSRGWOPZXBD-CIAFOILYSA-N 586.857 7.085 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 1084119208 VAJMSYVPYNUGHJ-UHFFFAOYSA-N 586.035 6.827 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CCSc2ccc(Cl)cc2)c1C 1084261166 CZXNEUZKCHVERH-UHFFFAOYSA-N 518.908 6.759 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084414338 PYXZHWJCOJUHHM-UHFFFAOYSA-N 662.437 6.547 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1ccccc1Cl 1084515036 MDKSJRZMXPPMGE-UHFFFAOYSA-N 555.063 5.804 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc2cc(Br)ccc2o1 1084536827 PBHWZFFSDITCAQ-UHFFFAOYSA-N 506.787 6.616 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1565518945 SMQJOWQADAZNNT-LASGFXPTSA-N 574.302 7.518 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2[N+](=O)[O-])C1 1614693544 NCVJYQCIKISLRL-PBHICJAKSA-N 545.171 5.145 50 10 KKGE BrC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1616047114 PRCZFTMAGUTRJT-PEINCPOXSA-N 617.580 7.122 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Cl)CCC3)c(Br)c1 1772744032 OXRHNZZIHVQWFE-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752022 RQJJOXDUWHJLMG-UHFFFAOYSA-N 513.594 6.001 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc(C(C)C)c2)ccc1OCc1c(Cl)cccc1Cl 1772753476 LADCXKHCKLUBMF-UHFFFAOYSA-N 501.410 6.234 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1C 1772755419 GULIPDUYQABWKV-UHFFFAOYSA-N 539.470 6.172 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685215 FUQLCRVUMOSRBX-QFIPXVFZSA-N 558.252 7.380 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865687510 SQPDWSRWXDCHIC-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689796 WUHUWOXAXOZIPS-HSZRJFAPSA-N 577.410 5.441 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865691360 QAQFJTKWLCSQIK-HSZRJFAPSA-N 537.458 5.911 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865692642 OIYMEQDRYTZMQQ-AREMUKBSSA-N 579.539 6.751 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865692798 IIKYRKONKDPNBU-XMMPIXPASA-N 512.997 5.877 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3ccc(Cl)c(Cl)c3)cc2)cc1 1865694273 WICLQXSCSDWKMZ-MHZLTWQESA-N 531.443 6.652 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865696364 DUUKWVVGBMOOLG-OAQYLSRUSA-N 509.404 5.131 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698619 YSTIOEAWAQMWKX-NDEPHWFRSA-N 528.568 5.690 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705225 OYWNRYSZZUOEPA-XMMPIXPASA-N 561.425 6.323 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710203 QRWHULBJFNSXBC-VWLOTQADSA-N 507.550 5.350 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712088 PHJDDYAVCFBYTR-MGBGTMOVSA-N 568.677 7.201 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712338 WAMLURFWYVZRJK-GDLZYMKVSA-N 520.633 6.232 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cccc(-n3cccc3)c2)cc1 1866617510 VQCOPLHUBFZWCB-AREMUKBSSA-N 512.660 5.721 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866716041 BJFGPNZDAPOAJI-VSGBNLITSA-N 515.654 6.266 50 10 KKGE CC[C@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931234 BURPUVOAWCDYBF-VWLOTQADSA-N 510.619 5.647 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987976 GUUCFWBWVUQOMH-RPBOFIJWSA-N 506.027 5.479 50 10 KKGE CC[C@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867089258 OCCURNLGGQFOST-VWLOTQADSA-N 510.619 5.180 50 10 KKGE Cc1nc(C(C)C)c(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867154544 BEMFIXQDGSLOGD-OAQYLSRUSA-N 510.710 5.819 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1868278222 WLULJTDLYXRRJN-UHFFFAOYSA-N 508.095 5.395 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)cc1 1868342046 IQYVEIAWGFJMMS-UHFFFAOYSA-N 516.715 5.854 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1868456653 SKMOHOKUNVQWJW-WOJBJXKFSA-N 506.651 5.535 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)cc1 1872744056 FWQJACQAAOQHPF-UZYVYHOESA-N 503.849 7.440 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ns1 1899852973 REDVOWCUEBGOMM-KRWDZBQOSA-N 518.068 6.731 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2Cc3ccccc32)c1Br 1924585497 MGZNBFGQHDCGMR-WPRPVWTQSA-N 515.890 6.812 50 10 KKGE Cc1ccccc1[C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@@](=O)C(C)(C)C 2080776671 QNTFTQVQWIVMLY-NNXWDSAPSA-N 631.822 8.668 50 10 KKGE COc1cc(F)c([C@@H](Br)c2sccc2I)cc1Br 2082780465 GIBZCRGFVCLFHU-LLVKDONJSA-N 505.972 5.747 50 10 KKGE C[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085496405 WJXBGMYNHFOYMG-OLLQQOEVSA-N 538.221 7.215 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2I)c1Br 2086139904 VAIZBTMWEJDIGI-SNVBAGLBSA-N 629.775 7.433 50 10 KKGE Clc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1 2086145026 HYEMDZWXCINXSW-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE CN(CC1CCN(Cc2ccccc2)CC1)c1c(CBr)ccc(Br)c1Cl 2098116343 IJNYNZCRTSRWGY-UHFFFAOYSA-N 500.706 6.346 50 10 KKGE C[C@@H]1CCCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469265 UFIVECUAMZEABZ-KXEKKFMESA-N 538.343 7.843 50 10 KKGE Cc1nc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141469658 BPHJSEPZJLLFFT-VIFPVBQESA-N 662.659 7.748 50 10 KKGE CC(C)(C)N1C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2222473825 UEGXNDLUKZGTSG-NKWVEPMBSA-N 524.942 5.997 50 10 KKGE O=C(Nc1ccccc1CCBr)c1cc(Br)ccc1I 2238842061 UXORIYJWYJHHLE-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE COc1ccc([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1I 2257368464 HMLKPWCUDQFXMU-OAQYLSRUSA-N 509.181 6.363 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277957683 ZMGFEPYSBCHUIZ-AWEZNQCLSA-N 514.426 6.647 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCOC(=O)COCC(=O)O)C[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CC[C@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819131 LWCXCQDTDVSQAT-KJIDRIMOSA-N 817.354 12.690 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1scc(Br)c1Cl 2295364766 IVIBUDZTTGZJHI-JTQLQIEISA-N 523.899 7.381 50 10 KKGE Cc1cc(OCC(=O)NN=CC(Br)=Cc2ccccc2)nc(SCC(=O)NN=CC(Br)=Cc2ccccc2)n1 2297616804 KZXIZYXSHGCLHG-UHFFFAOYSA-N 672.403 5.332 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1 2313570669 CNZMCBBWCYUPQC-UHFFFAOYSA-N 613.666 7.385 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@@H](CC)C2 2314572275 XLEKMYLVTQKJHD-MRXNPFEDSA-N 519.579 6.154 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591767 DPWJIOIRYPRQGQ-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314617236 UJVBBGVVSTWUFM-UHFFFAOYSA-N 542.639 6.427 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314617902 CUMCQWAWNBATQW-UHFFFAOYSA-N 580.729 6.680 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314618126 HQNXYEXHDMGMOW-UHFFFAOYSA-N 604.682 6.665 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 2314640766 WQVQSISCYBLUJV-UMSFTDKQSA-N 574.652 7.539 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 2314643170 FWDRYSDZKVYMSX-YTTGMZPUSA-N 583.015 6.904 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(Br)c(Br)nn1C 2316838739 ZINJWRATBZTRQS-ZETCQYMHSA-N 521.898 5.870 50 10 KKGE N#CC(=CNc1ccccc1Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608488 ZHEOCWDWDDLSRC-UHFFFAOYSA-N 501.428 5.202 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc(Cl)c2)cs1 2331294131 SZKJKINKVHSIKO-UHFFFAOYSA-N 505.426 8.202 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(Br)c(OC)c(OC)c3)n2)cc1F 2331336949 MDSVBXHIWHYRIJ-UHFFFAOYSA-N 517.376 6.244 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCCCc1ccccc1 2331468308 VRQDNJFCGFGCEX-UHFFFAOYSA-N 510.659 7.520 50 10 KKGE CC[C@@](C)(C(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336594376 BCOVLLMZZFNLQN-ZYHUDNBSSA-N 548.285 7.698 50 10 KKGE Fc1ccc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362222810 DSZZQTKNMZHAOV-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c1Br 2362250343 JETOYRBVWZFRKB-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1I 2365176584 RACXQFNKTIRNQG-ZDUSSCGKSA-N 597.285 7.354 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 12483024 QLDLJKSYXVIKOU-AERZKKPOSA-N 510.997 5.062 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccccc1OCc1ccccc1 14030763 TVDDECDPJLMXKB-UHFFFAOYSA-N 505.368 5.021 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OC(=O)c1cccc2ccccc12 33406717 ZLHMEBGNNUPUHH-JCMHNJIXSA-N 506.514 5.702 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(I)c3)c2C)cc1 38206548 FCVKYQZLFYYRBD-CPNJWEJPSA-N 511.363 5.643 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(Br)c1 38651560 BKCLRVWSGAYSAV-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38659882 RMHNVSOTTSMYAK-SANMLTNESA-N 520.969 5.177 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC)c2)cc1 38684436 MCXRYQGQFINANZ-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914974 BVGQPHHNNGSPSB-MHZLTWQESA-N 501.067 5.632 50 10 KKGE CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 97997804 LUDXHKGXIQFWEV-TVYAFPLLSA-N 545.275 6.131 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 100231848 HVGPSKQVJHYKPG-NRFCLKMUSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 100237343 LLBWHYAXGOJQMT-DVMDLWDRSA-N 545.463 6.334 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244403 LBILTVIGXUCARR-MZOFLMDJSA-N 522.457 6.621 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101314559 YDVKWIUWBMWLRC-RUZDIDTESA-N 537.399 6.394 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101334248 ZOQYRCPQUFVZNP-AUEUWSLNSA-N 508.622 6.026 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101338910 SDNAXYAKCSHGCR-RUMWWMSVSA-N 582.704 7.352 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101367747 AMLNVHQXJMYASM-KWMCUTETSA-N 532.568 5.604 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384951 RBGNVTGLBOYYSY-HKBQPEDESA-N 621.904 7.737 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388042 IXUJNCPOEBKYLZ-PMERELPUSA-N 553.014 6.755 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101392759 CHTNLJRJKKIHFR-AREMUKBSSA-N 530.964 6.239 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 101394420 TWPQVCTULNOSEY-FQEVSTJZSA-N 545.806 7.438 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101395126 UHXZCUUEIJMIHS-OAQYLSRUSA-N 551.407 6.432 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OCC 101395255 OWGVOPQDSMKWDC-NDEPHWFRSA-N 597.495 7.407 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399022 YETHGHVBAKJOBK-XIFFEERXSA-N 586.644 7.383 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccccc1C 101712856 VYRYQPMUTLLGJK-FJEPWZHXSA-N 539.470 6.306 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)c(OC)c1 102601976 JTZRAKQMLOIQBR-XRWCIWJWSA-N 603.469 5.873 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 102770810 SZYHYHXZJFIESH-UTDQILSNSA-N 546.838 6.851 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 102933824 CIZUOXUFVNWKMT-STZFKDTASA-N 528.362 6.635 50 10 KKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 102935611 DPWVTXYEYIZKLS-QNGOZBTKSA-N 553.080 7.368 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)c2ccc(C)cc2)cc1Br 103749438 YIRZHMZQTCUIEW-KCSSXMTESA-N 610.505 6.065 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cc2cc(Br)ccc2o1 103880786 XSOVWVYGVLQQTG-KKMKTNMSSA-N 546.190 6.440 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 105626936 NPHGOLZTNQDBDQ-FDVSRXAVSA-N 556.844 6.070 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433565 OPFDNQGJVZQWJV-SSEXGKCCSA-N 632.456 7.317 50 10 KKGE c1ccc(P(C[C@H]2C[C@@H](CP(c3ccccc3)c3ccccc3)[C@H](CP(c3ccccc3)c3ccccc3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 196011922 HYAJCBCVJRLTRN-LEYGCQTISA-N 862.955 11.387 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214277677 KOACHACESRHICB-YKQZZPSBSA-N 556.666 6.675 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214335244 QLEYRGYVMRMZIT-XYZKMYPFSA-N 560.629 6.821 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 252643799 ZWYVWLVGUAHFEG-JPVYSWMASA-N 503.046 5.625 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc1 254738959 PMXCKCPWIVRSAE-CQCUBQMUSA-N 588.664 5.301 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254759958 ZDISZDJNSAPBAP-UHFFFAOYSA-N 517.541 5.310 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 254827071 VXSXJRCMSSZACV-UHFFFAOYSA-N 558.685 8.373 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 256019088 KDAVEEPAYKNWAB-FEORBNHVSA-N 678.090 8.582 50 10 KKGE ClCc1nc2ccc(Br)cc2n1-c1cc(I)ccc1Br 312307997 WGQQWLBYWCGNBI-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Fc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(I)c1 312382054 RNFBKAYZYBTUNQ-AWEZNQCLSA-N 558.954 5.454 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390511184 ZHUQFXIHSMXZNX-LJQANCHMSA-N 561.870 7.172 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 504791571 LKHIBBPOJARUFY-MTKWKYEUSA-N 968.182 6.765 50 10 KKGE Brc1ccc(C[C@@H](Br)c2scc(Br)c2Br)cc1 705499442 DIXGRIAFQCFWTQ-SECBINFHSA-N 503.879 6.714 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C 725393416 JBMRSAMWUVTGFA-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1 1083968549 RAKVAFBYYINNAA-UHFFFAOYSA-N 546.534 7.530 50 10 KKGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1083977670 WKNQSHQUFFYEPS-UHFFFAOYSA-N 514.650 7.372 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc4ccccc34)cc2)c2ccc(C)cc2)cc1Br 1084167708 OSQACNGVCFKITO-UHFFFAOYSA-N 642.575 7.079 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 1084222043 LYUPLQGLWRAOOK-SANMLTNESA-N 507.417 6.690 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1Br 1084226663 RTPACDCAVCDFJQ-UHFFFAOYSA-N 551.470 5.236 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1084278476 LCUHAWJZBSGJPT-UHFFFAOYSA-N 615.351 5.526 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 1084285938 ANQZUALQRGJDHI-UHFFFAOYSA-N 557.097 8.181 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084390678 PHUXMAGDINPGGM-IUXPMGMMSA-N 550.667 7.842 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1084417402 OGJPDVUSVKBTDQ-UHFFFAOYSA-N 626.562 6.625 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084569941 CXOMJJCXYYTSKV-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CN(C(=O)c1ccccc1F)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088669498 LJQIERZIDNQRRW-OAQYLSRUSA-N 518.442 5.086 50 10 KKGE CC[C@H]1C=C([N]NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)Oc2cc3c(cc21)CCC1(CCCCC1)O3 1614106836 AGNXIAOJZNIBNH-BNHRFMORSA-N 600.761 6.106 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccccc1Cl 1772755316 ANWUZARXAGIQLK-UHFFFAOYSA-N 545.861 6.343 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cccc(Br)c1 1865684492 QXOWBWWPUXBAGA-JOCHJYFZSA-N 501.359 5.718 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OCC 1865686874 DEDSAPZLIVLNCE-AREMUKBSSA-N 502.615 5.629 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865687543 UMZOKLUCESVHBD-QFIPXVFZSA-N 512.532 5.746 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865692638 DMXKMBWOAGMLCS-DEOSSOPVSA-N 566.967 6.740 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865695917 ANWFSHMLYVVEJZ-VWLOTQADSA-N 571.475 6.295 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCCCc1ccccc1 1865695944 ARRIQKIUUXMCIA-LJAQVGFWSA-N 506.606 5.728 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865696872 SPNXJOVBNCWHAJ-JOCHJYFZSA-N 533.813 5.938 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704152 OOXJBPCYMSZPTF-HHHXNRCGSA-N 568.555 6.850 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706339 UGDLPJKYFNGXHY-QHCPKHFHSA-N 513.941 5.636 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866602220 HJZCYLWAVXIRQL-RUZDIDTESA-N 519.646 5.400 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c3c2CCC3)c2ccccc2)cc1 1866854989 YFOMEPVGMLCVPV-RUZDIDTESA-N 562.482 6.351 50 10 KKGE Cn1nc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867095662 DGVZWSZMAKEFSW-QHCPKHFHSA-N 535.551 5.057 50 10 KKGE CC[C@@](C)(NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867214755 VJQAAKGOQOJTGT-ZJSXRUAMSA-N 502.478 6.076 50 10 KKGE CC(C)c1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342535 VKQWVLNADHCJJI-WJOKGBTCSA-N 533.745 8.366 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(Br)c(OC)c1OC 1872753157 JQYKUVYPUHLXRK-ZHZULCJRSA-N 512.385 6.030 50 10 KKGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 1873792888 QXVOPVYUZSIQKP-STBIYBPSSA-N 504.027 5.463 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873792894 RFBPNFVTNUYFOX-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923065552 DRNVPCDEJYZSJJ-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923065616 FQPSWTDFJJIYHK-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)cc1Cl 1923071151 HBECWGCATMAELF-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE Brc1cc([C@H](Br)Cc2ccncc2Br)c(Br)s1 1924047868 QQBYRYVJTBMBIG-MRVPVSSYSA-N 504.867 6.109 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)s1 1937735193 XEMPBBCQAXKJOQ-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1F 2025779656 KGMHMPFIZRVKGX-FZYJTZEISA-N 514.252 6.765 50 10 KKGE CC(C)[C@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2049389412 RJGJTFMRBABKDS-PIFUBOJPSA-N 859.937 5.830 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Cl 2085494487 LYFUPCFVNBYMLV-MVISFBTESA-N 525.304 6.015 50 10 KKGE CC1CC(C)([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085498682 CEOALTULJNMMQZ-SKPUXYCPSA-N 568.767 7.609 50 10 KKGE Cc1cccc([C@H](Br)c2ccc(Br)c(C)c2Br)c1I 2138852259 RQHFWICPGQTIOF-CQSZACIVSA-N 558.877 6.917 50 10 KKGE Cc1nsc(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470397 GTBGUQCFSUZVLO-JTQLQIEISA-N 618.208 7.592 50 10 KKGE CO[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206393722 ASMMRAADYARPNT-PSQXESDUSA-N 554.342 7.222 50 10 KKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400159 PWOVFZFGDCHHCP-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE Cc1cc(Br)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406263 XHUINOWDSCLVEU-CQSZACIVSA-N 611.191 8.136 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206408039 GYMWFFCEZPVIEH-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)nn1C 2225617859 SAEICXOXNIKGDR-LLVKDONJSA-N 519.832 5.639 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)cc1C 2236014362 MRBURKABUWSWCP-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252791071 OUHJMDRVXOOMCW-AWEZNQCLSA-N 518.087 5.956 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1c(F)cccc1I 2267662393 COBSGBZATRAMFD-CYBMUJFWSA-N 522.352 6.423 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2c(F)cccc2I)s1 2282888371 NYLJABLCTPKOGA-CYBMUJFWSA-N 534.026 6.275 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)ccc1OCc1ccccc1 2293202216 YWZQNXYBJCBCTB-UHFFFAOYSA-N 550.467 7.174 50 10 KKGE COCO[C@@H]1C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@H](C)CC[C@H](OC(=O)[C@@](OC)(c4ccccc4)C(F)(F)F)C(C)C)CC[C@H]3[C@@H]21 2294819030 WKBJJVNVHWVMMW-JMMGYRNOSA-N 919.295 12.278 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524617 FZLCLCQTDOJJPM-QGZVFWFLSA-N 532.095 7.040 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570997 LALJAMRHQWMRRD-UHFFFAOYSA-N 510.179 7.564 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)c2)cc1 2314478206 JQQMKENKYPNDGF-UHFFFAOYSA-N 542.643 5.737 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)Nc1nccs1 2314486728 BSLRLXDKWOKANX-UHFFFAOYSA-N 509.012 6.010 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592854 CVEMKBHPDGQINQ-HRFSGMKKSA-N 530.093 6.767 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1OC 2314616431 AHVBCMNMPVMVSM-UHFFFAOYSA-N 522.605 5.481 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617521 ZSNFWVLDTJTIRR-UHFFFAOYSA-N 514.585 5.383 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C(C)=C(C#N)C2=O)cc1 2314620155 KSHXMBPASYXVFI-UHFFFAOYSA-N 532.575 5.522 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 2314640748 VQTYDDVDIKURJU-HKBQPEDESA-N 518.544 6.242 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(I)c1 2317773312 BZOLXVXWGCLSAZ-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE C[C@@H]1CC2CC([C@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319522440 ARFDNUYRIBPYSA-YAMXRADNSA-N 523.910 6.429 50 10 KKGE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329524214 IKGDGOAAZFRBQA-MUUNZHRXSA-N 527.646 5.517 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)c(OC)cc1Cl 2331376870 DZZGYTLCGCDFMZ-UHFFFAOYSA-N 501.007 7.514 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1Cl 2331481074 WPSHKJCEQPQWOW-UHFFFAOYSA-N 503.023 7.166 50 10 KKGE COc1ccc(C(OC[C@@H]2OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2333240204 URLPBMMJULLWTE-ZMOXXXGLSA-N 750.990 9.463 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256496 XSHOWCNRMYMWEW-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Cc1ccccc1C(CBr)(CBr)Cc1sc(Cl)cc1Br 2372287128 FKAIRMBLPIDMNE-UHFFFAOYSA-N 501.509 6.743 50 10 KKGE CC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccc(Br)cc3s2)=C(C#N)[C@@H]1c1cccnc1 8439227 YEHVIBXSSACOSV-NRFANRHFSA-N 540.468 5.111 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CN2c3ccccc3Sc3ccccc32)cc1 8636817 VMEONQYLYCUVLQ-BIZUNTBRSA-N 515.642 6.601 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 38683968 TZGOUZMYQLOBAE-AREMUKBSSA-N 515.522 5.220 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38687562 GAWIOIFHICLSFX-LJAQVGFWSA-N 522.601 6.920 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813759 HPGDCEHNFPZENI-RDRPBHBLSA-N 514.365 5.389 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC 40924569 KMXIDXQXIULCPR-FOKLQQMPSA-N 506.447 5.222 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 48573126 VMAMPMXGHJKFLD-BIZUNTBRSA-N 506.993 6.536 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)c1 60245675 LTOHPFFYJMDYFK-PFWPXWJXSA-N 522.653 8.043 50 10 KKGE Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1 96577259 BMYWBJFQVWLYCO-IWIPYMOSSA-N 511.419 7.344 50 10 KKGE CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 97997803 LUDXHKGXIQFWEV-QYJQOTDOSA-N 545.275 6.131 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869740 IUDTYDVJQYOFNX-UAMLYTHZSA-N 571.026 5.210 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101245046 MGYULIWKJNDLGF-IYQUHZLLSA-N 550.511 7.490 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 101339624 IVBHODDNRJWAJL-ZMOGYAJESA-N 579.012 5.722 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101340565 UBDOOKUHJRGFTG-KBVAKVRCSA-N 574.656 6.814 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccccc1Cl 101362887 IVNBBBGJTFRTHM-KRWDZBQOSA-N 605.088 7.810 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccccc1F 101364081 FMPIJNMDECRZGP-QGZVFWFLSA-N 588.633 7.295 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OC)c2)cc1 101367728 CWKNPESLWWFNMN-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101367971 MYVNMNALSOBPKV-GDLZYMKVSA-N 583.468 6.774 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101368007 FHYWPYGFXQCYDA-HHHXNRCGSA-N 553.442 7.008 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380671 RIANGRRLPQMCGQ-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccccc5Cl)ccc43)c2)cc1 101382055 UNNNTXPYXHERME-JJPKUHKXSA-N 549.026 7.064 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383474 DDODHGHUBYDYQW-DHYKOVJISA-N 595.095 7.633 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101387176 QYNHQNYNAKVYJN-WJOKGBTCSA-N 597.555 5.524 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101393203 AFSZUOAHECIACV-GDLZYMKVSA-N 611.522 7.797 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602362 OVYWQTSAGXDVFZ-VUTHCHCSSA-N 538.944 5.049 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)sc2NC(=O)c2ccc(Br)cc2)cc1 102845671 FNKFUYJWUGOEHX-STZFKDTASA-N 573.472 6.062 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1 150430763 FMQMTJOFWNXBKS-DOCWCXJCSA-N 698.339 6.146 50 10 KKGE O=C(Nc1c(I)cc(I)cc1I)[C@H](Cl)c1ccccc1 154521244 PPBRZLHZOPWSFF-GFCCVEGCSA-N 623.397 5.419 50 10 KKGE FC(F)(F)C(F)(F)CC[C@H](CCCCCCCCCBr)S[C@@H](CCCCCCCCCBr)CCC(F)(F)C(F)(F)F 159686489 WQHQFCSCTUPZTN-ZEQRLZLVSA-N 764.531 13.444 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c1 159831214 HMWWTJJZSJXPGQ-ZDUSSCGKSA-N 507.369 7.321 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H](CI)COc1ccc(I)cc1 203993694 NODVDNMAAHURGN-CYBMUJFWSA-N 532.276 5.743 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 214363471 GRWYISOROZUOLA-ONUIUJJFSA-N 506.606 5.781 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)c(OC)c1Br 224865195 FSTRKOVYVYSRFM-ZDUSSCGKSA-N 511.979 5.555 50 10 KKGE CCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530084 DCIQOWDTOXIBKI-KSCDKVHLSA-N 505.227 9.347 50 10 KKGE biogenic CCOc1ccc(OCCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 254714159 SUJMDOKSZWNODI-UHFFFAOYSA-N 514.500 5.484 50 10 KKGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1S(=O)(=O)N1CCCCC1 256019102 LCPKIMAQABKISR-VOQZNFBZSA-N 641.264 5.794 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 264006258 SKNLXHRBXYGJOC-CQQMUSMASA-N 861.062 8.924 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 312410928 WXWMZIWTFSECEG-CQSZACIVSA-N 528.409 6.126 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(/C=C/C(=O)NCCc2ccc(O)cc2)cc1O[Si](C)(C)C(C)(C)C 725238142 DIFHYHPSLXSDPA-NBVRZTHBSA-N 527.854 7.532 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 1084045102 YYIDHJMAWKZYHV-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE O=C(CCc1ccc2c(c1)OCO2)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084047292 QBFUUNFKFBWLFD-UHFFFAOYSA-N 503.558 5.005 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl 1084080836 PUUJGWALVMSCJG-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE CCOc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)ccc1OCc1ccccc1 1084095408 PCURMFFYUJLEIB-UHFFFAOYSA-N 508.643 6.618 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 1084194461 HXVUDAAZKUSKKT-DEOSSOPVSA-N 563.851 6.183 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1084357481 ACZVUWQGOFTDQR-UHFFFAOYSA-N 520.800 5.713 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1084417573 MKYSKPVUJLHCIC-UHFFFAOYSA-N 653.001 9.735 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccccc1OCc1ccccc1 1084427198 JJOWTBYSBFIQFD-UHFFFAOYSA-N 532.232 5.628 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(Cl)cc(Cl)c2)cc1 1084436376 OOPMPKQOWKXYGM-UHFFFAOYSA-N 648.410 6.817 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084530927 XIEJHHXFFKWPQW-HXUWFJFHSA-N 573.356 5.030 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 1084548874 WPOFQFPMTLRERM-SXGWCWSVSA-N 520.185 7.020 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084597734 IVKHWSATNVDHLD-LICLKQGHSA-N 591.245 7.187 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl 1084601283 PTHJUJYBLLINMX-UHFFFAOYSA-N 689.981 8.452 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749834 SQBFHRFXVCMWET-UHFFFAOYSA-N 549.226 6.104 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)cc(C)c2C)ccc1OCc1c(Cl)cccc1Cl 1772753406 BKIQZOGEERPZFP-UHFFFAOYSA-N 501.410 6.035 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1 1772755714 PRBOERKIJGBOFE-UHFFFAOYSA-N 525.443 5.863 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865701107 MCWKKEKROZQUMA-NDEPHWFRSA-N 527.024 6.007 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701117 MJXMJSOXBBFXNE-MHZLTWQESA-N 579.915 7.641 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705180 OELDWLXSZTTYAE-GDLZYMKVSA-N 528.612 6.706 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712487 ZZCHKPWDQFZQHW-VWLOTQADSA-N 546.549 6.298 50 10 KKGE CSCC[C@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931061 XBMPUUHTQYIZRH-MHZLTWQESA-N 556.713 5.990 50 10 KKGE Cc1ccc(C(=O)CCC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867091224 KBXWJGQGOOCGTC-SANMLTNESA-N 531.703 5.896 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 1872753098 HOFTWIKRXMIJOA-DAFNUICNSA-N 501.479 8.501 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2sccc2s1 1923055562 VNRUWBQKUXXESM-QMMMGPOBSA-N 507.519 7.687 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924589987 GKVDDSHTIVHHFW-QMMMGPOBSA-N 521.869 6.967 50 10 KKGE FC(F)Oc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924602390 WUMQGTRIMWZJJS-SECBINFHSA-N 511.407 6.965 50 10 KKGE Clc1cc(I)c(Oc2ncc(CBr)s2)c(I)c1 1949582804 WSBIHPUAYDXZKB-UHFFFAOYSA-N 556.388 5.693 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2025782862 KVOQLIQPIASTTJ-ANYMCVJYSA-N 556.712 5.944 50 10 KKGE Fc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(C(F)(F)F)c1 2079243478 WRACCOCZGQFVKZ-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE Fc1cccc([C@@H](Cl)c2ccc(Br)cc2Br)c1I 2083334523 RWJULUYWFDIWSS-LBPRGKRZSA-N 504.362 6.284 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2086138890 HRIWDLAMPHSWBK-ZDUSSCGKSA-N 564.906 6.924 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 2141658858 DZABQCACJCRJQQ-NSHDSACASA-N 533.905 6.837 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Br 2163395150 FIEDRUFKZJZXTI-IMTBSYHQSA-N 513.467 7.531 50 10 KKGE FC1(F)C[C@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184260742 OJWZBEVJFXXTDK-INIZCTEOSA-N 501.746 5.462 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Cl 2201608894 SIPYEDMTIBADSZ-NSHDSACASA-N 556.797 7.123 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)c1Cl 2224302670 NVUDIYXGWTVZMV-QMMMGPOBSA-N 548.736 8.324 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Cl)cccc2Br)c(C)c1Br 2235602954 FXCXRRZVAACKIF-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)s1 2248216252 RMGQSHAHMNOORI-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2256337666 VVFLPCRJHKLOCU-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 2265967841 UMTUNPFPGJPVQH-ZDUSSCGKSA-N 531.933 7.643 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)cccc1Br 2288377269 VWPSVNBZYWCVJV-LLVKDONJSA-N 598.699 7.499 50 10 KKGE CS(=O)(=O)c1sccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295343078 ROLOYAGTFODAKX-GFCCVEGCSA-N 503.075 5.355 50 10 KKGE Cc1cc(Br)c(NC(=O)COc2ccc(C=C(C#N)c3nc4ccccc4[nH]3)cc2)cc1C 2297367714 BBJXGQFGOOCGOJ-UHFFFAOYSA-N 501.384 6.024 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccccc1C#N 2297629147 DKWBIYWUFUMZPV-UHFFFAOYSA-N 541.389 5.106 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)cc1 2313518840 WGFGEERIONNFTE-UHFFFAOYSA-N 524.358 5.733 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521419 MQPNEMCNFSGNLB-UHFFFAOYSA-N 614.352 5.631 50 10 KKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2313568318 UPDQCXYGZHMKPN-UHFFFAOYSA-N 529.471 6.561 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C)c(C)c1 2314591902 HGCXMBOZFANHFN-VWLOTQADSA-N 501.583 5.516 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592056 KXDZLOYASQZKTF-VWLOTQADSA-N 518.038 6.112 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592354 RQKZNTYUEZXWPX-RUZDIDTESA-N 536.484 6.929 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634847 VDLKQHNCAVIGIZ-GDLZYMKVSA-N 515.009 6.602 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643197 HNKXCRKQPHGDPZ-XIFFEERXSA-N 613.497 7.808 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2316725868 KQRWGAZVEVTIFU-GSVOUGTGSA-N 562.734 6.560 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318645 KDPOWCPPLFJPSI-XDHUDOTRSA-N 501.608 6.102 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 2331356010 DBDFDRUBSCNNNV-UHFFFAOYSA-N 506.668 7.778 50 10 KKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336078163 OMVXKYLZPAWXFW-GOSISDBHSA-N 516.276 5.977 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(I)c1 2360428138 ZBRKGQYLCZFUSU-LLVKDONJSA-N 556.797 7.123 50 10 KKGE Clc1ccc(CO[C@@H](CI)c2ccccc2Cl)c(I)c1 2365635540 HUHGLCWTFAXYRW-HNNXBMFYSA-N 532.974 6.291 50 10 KKGE Cc1c(Br)sc([C@H](Br)CCc2cc(Cl)cc(Cl)c2)c1Br 2366794845 LMBZAEHXHNSILW-LLVKDONJSA-N 521.927 7.957 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1C[C@@H](Br)C12CCCCC2 2367599000 AIQMZGGNSCBIAY-HUUCEWRRSA-N 514.039 6.057 50 10 KKGE Cc1cccc([C@H](CI)OCc2cc(I)ccc2Br)c1 2367612248 VUKDYPCZXWHMNB-INIZCTEOSA-N 557.007 6.055 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 15930371 AMPJRDZJNIVXOZ-RPBOFIJWSA-N 505.456 6.579 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCc1ccc(Br)cc1 33624458 MPLMXOFUGLUCOE-PDGQHHTCSA-N 508.328 5.491 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NC1CCCCC1 35445994 FMHALULBZBFUFE-LGUFXXKBSA-N 502.618 6.474 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38608231 KYSFNCNWUUVAFI-HZHRSRAPSA-N 505.014 6.243 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38608481 QYSNKALTXADDHO-MFKUBSTISA-N 510.565 5.904 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814559 DRJRRYUIWIESBF-FLLVFQQYSA-N 518.545 5.016 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1 58832885 WVWCDNDXYHVYCJ-CIAFOILYSA-N 511.553 7.007 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1Cl 59921115 OQZRXVAECWVOCY-LGJNPRDNSA-N 503.780 5.550 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(Cl)cc2)cc1OC 97914859 KLLYEOOUVOKPML-SANMLTNESA-N 521.485 5.547 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 100231846 HVGPSKQVJHYKPG-DQSWQQFISA-N 580.306 6.698 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245929 SBEBDVZZBXRBOL-UZEPBSNMSA-N 502.039 6.276 50 10 KKGE COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 101268664 SJEZNZAOUSNTQK-UUWRZZSWSA-N 582.620 5.069 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101376581 OYHMJYAZQAQHCV-XMMPIXPASA-N 525.388 6.228 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380979 VLUFRDPVEPFBRC-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 101391759 LHQWHTDPAYIEHZ-HXUWFJFHSA-N 538.368 6.554 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611970 DXYFPAJHEFGBMV-UXHLAJHPSA-N 555.245 6.690 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)Cc3coc5c(C)c(C)ccc35)CCC4)c2n1 101619927 UJPCZPQFPPZJTD-JGRMKTMXSA-N 535.600 6.426 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 101620032 KAQWFOFIUSPPMC-XFFZJAGNSA-N 517.679 5.725 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1c(Cl)cccc1Cl 101712863 LULUFMHXJWEJFQ-KKMKTNMSSA-N 538.225 5.873 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)c1 102034143 ZFNFUWNSUKIYHE-NHFJDJAPSA-N 588.505 8.518 50 10 KKGE Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2[N+](=O)[O-])cc1 102988781 GRMLJAPBNAUYDY-JWGURIENSA-N 562.673 5.775 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)cc1 103615202 VIIAGTHXYWYXMT-YWWNYXIGSA-N 604.448 5.538 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)ccc1O 103707010 QOHBFGXZVSSRAJ-OKCVXOCRSA-N 556.669 5.379 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1 103792850 HUFUHWGBKWCVKK-HAVVHWLPSA-N 613.581 7.903 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104997754 ARRPROLUMYMOPM-OLFWJLLRSA-N 542.886 5.446 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)s1 128875812 GHNOISLQQJZLIK-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE O=C(/C=C/c1cccs1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 139020286 WGCWLQXNXIIVSF-OEQLXGPXSA-N 519.427 6.171 50 10 KKGE CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(SSc4ccc(NC(=O)CSc5nc6cc(OCC)ccc6[nH]5)cc4)cc3)nc2c1 150427042 ZNSFRPYTXNMKSB-UHFFFAOYSA-N 716.936 8.498 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1 150460154 CTZFROLBAUOZCN-WJOKGBTCSA-N 637.486 7.529 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205669285 GJKVHQNSCNRAHM-LUCFXYIKSA-N 604.678 7.548 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 214312324 ZHKHCBYPBQUGPM-YUMHPJSZSA-N 561.617 6.045 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214379789 ZPMWPTBFDDCUFU-XYAAITCMSA-N 554.650 6.272 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2csc3c(Br)cccc23)c1 232482851 QWVSCOQJLCYMNX-CQSZACIVSA-N 586.912 7.515 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2csc3c(Br)cccc23)c1 236083942 OCXQWNSIZXXUMV-CQSZACIVSA-N 542.461 7.406 50 10 KKGE Cc1ccc(N2C(=O)[C@@H]3[C@@H](/C=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)C(C#N)=C(N)S[C@H]3C2=O)cc1 238900031 HUSONRRFIFIIQC-NTUVXCKYSA-N 536.440 6.190 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)CNc2ccccc2C)cc(OC)c1OC 254391574 KIBVBFBHBBGMEH-UHFFFAOYSA-N 635.309 5.327 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1cccc(Br)c1 254403151 MJCLTXUXJBVXDW-UHFFFAOYSA-N 595.534 6.920 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@H](O)/C1=C\Nc1ccc(-c2ccc(N/C=C3\C(C)=C(C#N)c4nc5ccccc5n4[C@@H]3O)cc2)cc1 254634013 SLFVAYAXFQWWPL-VKVLTWPVSA-N 654.734 7.648 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254758392 GABPXWPRZOZTSI-UHFFFAOYSA-N 524.702 7.464 50 10 KKGE BrCc1cc(Br)c(OCc2ncccc2Br)c(Br)c1 311667228 HFCUIZVEOZHRTH-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE Cc1cc(C)c([C@H](Br)c2sccc2I)c(C)c1Br 381401355 WOSUQALZRZGJPY-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1cc(CBr)cnc1Oc1c(I)cc(Cl)cc1I 388240407 TYGPIJNKFJRTHF-UHFFFAOYSA-N 564.386 5.940 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616587561 FQWUSGHMQPXVGW-PARUTCTQSA-N 890.093 8.077 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1 725432744 NEIMRKMCNOQOKM-FYJGNVAPSA-N 538.385 6.123 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1 1083875704 SWUBNIJFODOAOE-LFVJCYFKSA-N 546.465 5.601 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C)cc1 1083932350 VJVZWCNVMPDKPW-LFVJCYFKSA-N 546.465 5.601 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1 1084294094 KCONIMCPSLNVJW-RUZDIDTESA-N 537.454 5.729 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C)cc1 1084401775 LHWMAVQFIFHCAS-KOEQRZSOSA-N 516.041 5.882 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(C)cc(C)c2)cc1OC 1084473479 NLVCGONKNXSTNJ-UHFFFAOYSA-N 643.593 6.381 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084523869 XIIPDBJNJDKVRV-UHFFFAOYSA-N 652.545 7.686 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1 1084540303 QGWOGMPMNXEVCE-UKWGHVSLSA-N 525.388 5.923 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(N=Nc3ccccc3)ccc2O)c([N+](=O)[O-])c1 1565517479 AWOLQKUZHQIVRX-UHFFFAOYSA-N 531.613 6.959 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccc(Cl)cc1 1772753279 MHTQEMCGGNDKTK-UHFFFAOYSA-N 531.834 5.836 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Br)c1 1772755298 ZVXWAEDXPFFAIQ-UHFFFAOYSA-N 568.518 6.403 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688554 VARGMUZDXYZECS-MUUNZHRXSA-N 521.621 5.724 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccc(F)cc3)cc2)cc1 1865693694 PZAYSMDNVFBMLB-SSEXGKCCSA-N 542.614 6.843 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)ccc1OC(C)C 1865696925 LLFHPASLYWWPOM-FQEVSTJZSA-N 536.913 5.757 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865704708 CFRYNJZHUOHZOY-MUUNZHRXSA-N 575.024 6.639 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705455 WEGZALMHMACQHM-NDEPHWFRSA-N 520.633 5.998 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866774978 DZWUZMVXFQALIB-VMPREFPWSA-N 541.623 6.426 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867080322 JDOLTHVAIUBWJB-SANMLTNESA-N 559.692 5.148 50 10 KKGE CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867202420 RHULECBGWMBEHU-UIOOFZCWSA-N 550.522 6.518 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1 1868388255 HCMGNUGNVDSQET-UHFFFAOYSA-N 546.104 5.521 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595195 VXOQRXXRRZDQLC-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE CC1(C)CO[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2001537972 ZGCGLVBFMGNKBR-IYSWYEEDSA-N 511.899 6.287 50 10 KKGE C[C@@H]1C[C@@]1(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780112 PARIDGFFMIYQMU-ZSCXHOBISA-N 554.740 7.219 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1COc1ccccc1 2042448264 ZQHGOLBRVFQBLI-UHFFFAOYSA-N 506.671 8.510 50 10 KKGE CCOc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C 2079250309 DTPLYCPXWDFBMM-UHFFFAOYSA-N 503.100 5.157 50 10 KKGE Clc1sc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)c1Cl 2086139737 SLMXIVBRWBJKHA-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2146630250 VOFAIRVVMXZCFZ-CQSZACIVSA-N 572.860 6.235 50 10 KKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2165530447 JHUHTLMQCZULOU-YRGRVCCFSA-N 535.896 5.930 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206398025 PRJYHOKORGKWOU-CYBMUJFWSA-N 590.773 7.838 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206405044 FCFRNVAZNFRRRA-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE Cc1c(Cl)cccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405811 QPZYYIYIIHKTAK-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Cl)ccc2I)c1C 2218790368 LJWIQTSEKQHNGO-NSHDSACASA-N 520.455 6.870 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)c(C)c1Cl 2232530297 QKSOFEUUINFINZ-CQSZACIVSA-N 501.871 7.620 50 10 KKGE COc1ccc([C@H](Br)c2cscc2OCc2ccccc2)c(Br)c1Cl 2256329660 PMGWCZRAJKOLHT-KRWDZBQOSA-N 502.655 7.236 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ncsc1Br 2259999010 KSJBCCZXYKNMPX-ZETCQYMHSA-N 526.820 6.193 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(Br)ccc2Cl)C1 2263389845 UQRANDJGGXPCKI-SFHVURJKSA-N 544.655 5.824 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1 2295489462 FAMVRARILAYFDA-UHFFFAOYSA-N 562.670 5.652 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc2c1CCCC2 2296565406 QLUWIZQUONIYAJ-UHFFFAOYSA-N 504.464 7.210 50 10 KKGE Cc1ccc2nc(C(C#N)=Cc3cc(Br)ccc3OCc3ccc(Cl)cc3Cl)[nH]c2c1 2296737743 IBRILWSBZQOIII-UHFFFAOYSA-N 513.222 7.584 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 2297617391 KMFDKOIGNCPVFL-UHFFFAOYSA-N 609.645 6.537 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 2297672178 NEXVNCXIMLFPRO-UHFFFAOYSA-N 608.514 5.382 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Cl)cc1I 2301796997 RPHSBIAGFKIKIV-NSHDSACASA-N 506.428 6.561 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCC[C@@H]1I 2302813890 LGVLWGHDKKXBCN-STQMWFEESA-N 520.974 5.317 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570805 GPALPMZETSPTDR-UHFFFAOYSA-N 693.081 7.466 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1Cl 2313630802 UPNSILVUGPBDER-UHFFFAOYSA-N 538.456 6.939 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 2313631761 VDPFXFHXSIYQDX-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NC[C@H]1CCCO1 2314478462 MQJNUEYDZMZXGP-GDLZYMKVSA-N 539.035 5.974 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](CC)C2 2314571677 JZOMXZOZWWSRNF-MRXNPFEDSA-N 519.579 6.154 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCC2 2314571987 QAKCZABGIIGRTE-UHFFFAOYSA-N 501.391 6.526 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593785 SSFCWROUKKPNGX-VWLOTQADSA-N 552.483 6.135 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314616570 DVSCYFKXPRKLIH-UHFFFAOYSA-N 618.737 8.196 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCC(C)C 2314634707 BXQKRSMFSMZLEH-PMERELPUSA-N 510.590 5.875 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 2314634854 VYHZZEDFQFVCRH-SSEXGKCCSA-N 510.590 5.957 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 2314640718 QNSGNXJWSUBRLH-MGBGTMOVSA-N 528.608 6.719 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314640787 ZKESIUGABUCWPS-LJAQVGFWSA-N 549.454 7.399 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314755148 VXBKABRCADJKKH-UHFFFAOYSA-N 601.453 6.316 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1 2314770574 JPAPJUBDHTUSHB-UHFFFAOYSA-N 523.383 5.373 50 10 KKGE O=C(CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)NN=Cc1cccc([N+](=O)[O-])c1 2320488224 HNIWIYUWOZWBTL-UHFFFAOYSA-N 519.608 5.093 50 10 KKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360326 VVYQHGJTGDIWAF-UHFFFAOYSA-N 515.978 6.474 50 10 KKGE Clc1ccc(COc2ccc(CBr)cc2Br)cc1I 2337277549 VBBLJLDDQDMUAJ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2338025951 ARVWVSFAOOBZMY-CYBMUJFWSA-N 531.933 7.472 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362219860 ARQWOIFGMCDAJE-NSHDSACASA-N 554.248 7.390 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Cl)ccc2Br)c1Br 2362225858 RXKDVASNOQVSAW-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCCC2)c1cc(Br)sc1Br 2369623171 DHJNNKRKHMRJDT-CYBMUJFWSA-N 501.465 6.689 50 10 KKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cc(Br)c(Br)s2)cc1 6358501 SJRRNGPSSQLIOV-LCYFTJDESA-N 512.223 5.316 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 16789786 PKQRXFCDLCFGKE-GFPZRUSRSA-N 508.430 6.367 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 33379046 IYBGTBYCNPZHPZ-NLRVBDNBSA-N 514.585 6.243 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38650688 RXDHGGGMNNYRNY-MHZLTWQESA-N 518.997 5.948 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 38679304 OROBGKCIYBXDKE-GDLZYMKVSA-N 506.558 6.075 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)c(C)c2cc1Cl 38688554 NRWAATZQSYQYSF-NDEPHWFRSA-N 520.972 7.294 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)oc2ccc(Cl)cc12 40547515 WGMNEMHIEYZVTB-QHCPKHFHSA-N 501.882 5.740 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823219 ZBLVRUPLYQKGBQ-VWHXZFQTSA-N 519.417 5.169 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100172584 DLENFPJLQMEIIW-CQSZACIVSA-N 532.262 5.944 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 101304940 SBTFFNJZYNSTGE-OGLMXYFKSA-N 584.632 5.934 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101334715 DAKNYBARJHFUTQ-OGLMXYFKSA-N 536.676 6.521 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1OC 101339350 FHISGNLWGBCXIM-PCLIKHOPSA-N 526.564 5.257 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340753 IAJIRMXIOIPIIA-MTDXEUNCSA-N 563.057 6.774 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365374 BOYTYTBKJQXORK-NDEPHWFRSA-N 527.407 6.949 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367490 PEZWLOOWGBYHQE-MGBGTMOVSA-N 576.649 6.890 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101372068 YDTCGMDICJEOFP-SSEXGKCCSA-N 607.501 6.619 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 101372304 ZDFQHMFDCGCDAM-JGCGQSQUSA-N 556.659 6.474 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101375350 XWGCQSLJIXDHKD-GDLZYMKVSA-N 557.603 6.390 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379976 WKHNUNMLJBAQKS-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382901 QAIAAGRBSOFPMB-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386099 DBLPZEJMTAQSCG-IAEXUVPISA-N 599.470 7.418 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101393107 YPWOKEJSQQBUEU-GDLZYMKVSA-N 552.627 6.983 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCC(C)C 101395575 OUGCCLMSYTWWSK-MUUNZHRXSA-N 542.563 6.361 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 101399583 BRAMQFXDICVNTN-PMERELPUSA-N 587.003 6.513 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600486 FZCMNNUWVOAKCM-VUTHCHCSSA-N 563.364 5.497 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104799986 WQIGBYZPYADPAL-MOSHPQCFSA-N 516.534 7.092 50 10 KKGE Cc1ccc(CN(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 107106347 IGUQYZOBERWIDS-JJIBRWJFSA-N 543.620 5.972 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 109556827 ILBQAPXSIQHPTJ-XHPQRKPJSA-N 559.647 7.872 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@H](C)C2 150411244 JGBZEPIDRFFBBZ-FMUDCUTBSA-N 630.726 5.088 50 10 KKGE CCOc1cc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442256 HNDRIHKSCCCXFF-UHFFFAOYSA-N 642.547 5.195 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484923 USNTYDZOZNFBQZ-MOILCHMESA-N 633.915 8.071 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(I)cc1 163804082 FCCYKDHMIPQPON-UVHMKAGCSA-N 652.226 5.994 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397767 RELRIFHSCGUXID-ZAXMVUSLSA-N 535.600 5.610 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206689895 WILFNACKBSRDMZ-FHIYBITRSA-N 514.578 5.699 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 214121078 JUHAOHJRZIHKIP-AJQTZOPKSA-N 654.899 9.823 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214315927 SPZYNCHCODYFPA-YUMHPJSZSA-N 532.600 6.020 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214393537 IVUPXKWAPGSTMS-FSGOGVSDSA-N 556.622 5.905 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)sc1Cl 235857563 TXBMGJLYSKBDLX-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(C)cc3)ccc21 254301879 KKLIOZOMXNRJDU-UHFFFAOYSA-N 574.710 6.622 50 10 KKGE CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 254346429 GPCCUPQBWJYBDY-UHFFFAOYSA-N 510.682 6.590 50 10 KKGE COc1ccc(OC)c(/C=C\C(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)c1 254350029 JCROCPZSOULQDU-SGDYGQDTSA-N 512.484 5.346 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccccc2)n1-c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254567444 VMKFDOASBXRIOF-HSZRJFAPSA-N 548.672 6.303 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccccc1Br)C(=O)OC(C)(C)C 303741123 GWAGRSVPFSOIMK-GOSISDBHSA-N 512.226 5.416 50 10 KKGE O=C(Nc1cccc(CCBr)c1)c1cc(Br)ccc1I 313164861 DPCABPGRRMZAFN-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](CN=C=O)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 504718936 FWULWQNHPKVVEM-GDXGJNNRSA-N 679.605 5.621 50 10 KKGE CCO/C(=C/C=C/C(=N\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(OC)cc1 585660829 QODGRWQNLKCVSK-FTNXMYIXSA-N 568.677 8.027 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616585904 GEYKFJRDKMXPMQ-CVHRFUHHSA-N 702.964 7.691 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 725426380 ABVSQABSOLTDGX-MUUNZHRXSA-N 512.606 5.790 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl 1083877724 PDFZMCIQPXYINK-MFOYZWKCSA-N 585.269 6.541 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)COc3ccc4cc(Br)ccc4c3Br)ccc21 1083892644 WWRKTYSVVJOMGZ-UHFFFAOYSA-N 579.292 7.022 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Cl)c(Cl)c1 1083984710 HPDBLPSUCQWKDN-UHFFFAOYSA-N 569.308 5.140 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084048577 WYXNHWJZWHVQDR-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1 1084051059 HQERGWNEINGBFG-UHFFFAOYSA-N 579.678 5.773 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 1084287894 MZTAGCGZASYERS-UHFFFAOYSA-N 614.543 8.711 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1 1084468294 NLCYPOIJUGOJIK-HHHXNRCGSA-N 507.030 6.010 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc(O)cc4)c3C)sc3c2CCCC3)cc1 1084536901 YKCFWGLWCARCEK-UHFFFAOYSA-N 526.662 6.065 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 1084542470 GDJWQZSWAWEPEI-UHFFFAOYSA-N 755.369 8.144 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084578921 OZHCKJSESBRYKO-UHFFFAOYSA-N 611.120 5.119 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 1084655563 RGWDRRRBEGBQID-NRFANRHFSA-N 637.268 5.325 50 10 KKGE CN(C(=O)c1ccccc1F)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088669497 LJQIERZIDNQRRW-NRFANRHFSA-N 518.442 5.086 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c(Br)c1 1772746748 GGCHEDMMPXARQJ-UHFFFAOYSA-N 556.460 7.049 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682002 CWIZLXDXCQHOFX-HHHXNRCGSA-N 519.004 6.632 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1 1865683402 COLNPHMUHQPSCP-DEOSSOPVSA-N 511.423 6.196 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865687561 UZFVMEQNZANUCU-VWLOTQADSA-N 546.549 6.064 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865687950 DWLREMBSGCKHIC-HSZRJFAPSA-N 577.866 6.337 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OCC 1865691328 PPCVOZMVJBPIIA-AREMUKBSSA-N 500.643 6.392 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccc(Cl)cc3)cc2)cc1 1865692949 KECXYLGZLSXRKJ-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694542 YZAHLJVVNHDGQD-LJAQVGFWSA-N 504.634 6.216 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1865695325 NOPOMAYHRXIZGP-VWLOTQADSA-N 562.548 6.014 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(Br)c1OC(C)C 1865697707 ZWABMUFNZSACMV-OAQYLSRUSA-N 529.822 5.611 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(Br)c2O)c1 1865700955 IFNFJTLOGKWKRZ-HXUWFJFHSA-N 544.247 5.305 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701053 KNRFDDKZMNMQRA-MHZLTWQESA-N 561.469 6.937 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701564 YGTYLCXEJXHILY-FQEVSTJZSA-N 518.923 5.771 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704265 RLRWFDJZBDOTAJ-SSEXGKCCSA-N 547.058 7.429 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)cc1C 1868207061 FFKPAUQUZSXQDU-UHFFFAOYSA-N 549.700 6.801 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434008 ULUFORKGUWUSPA-HKBQPEDESA-N 574.153 8.850 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)c1 1872749750 GMOIEZHXIDGLEY-ATJXCDBQSA-N 516.044 5.051 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872751221 XLYPMSSOOANKRH-KXNAUXDSSA-N 517.676 6.318 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 1872754649 CHFOPUPGJTVCJG-IPQBESIJSA-N 517.607 5.458 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915282268 VXMMMQJYSFQQHR-SFHVURJKSA-N 565.087 6.116 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1occc1Br 1923038235 IHEHYSUTFKBQGG-YFKPBYRVSA-N 514.258 6.766 50 10 KKGE Clc1cccc(Cl)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595219 WKLFPCVRCPEGGK-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE CC(C)(C)C1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924601221 JWOKDWCWBKEGCA-SHVIVCPWSA-N 507.557 8.168 50 10 KKGE CS(=O)(=O)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924602057 REXVZTJWHSDPKZ-SECBINFHSA-N 567.944 5.923 50 10 KKGE O=C(N[C@@H](CBr)CC1CCCC1)c1ccc(I)c(Br)c1 1926758822 WWOHSWIBCFZTPV-GFCCVEGCSA-N 515.027 5.127 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)sc1Cl 1950177858 NSKNAXGRIVCKQV-ZCFIWIBFSA-N 520.320 7.732 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(COC3)C2)c1Br 2007604026 ABJLHNPVKHCLAM-SSDOTTSWSA-N 509.883 5.898 50 10 KKGE COc1cc(C)c([C@@H](Br)c2csc(I)c2)cc1Br 2078003417 MDEZODHPFQNECV-ZDUSSCGKSA-N 502.009 5.917 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2137654534 ISJUGKPEVOTCHB-ZDUSSCGKSA-N 532.295 7.420 50 10 KKGE Cn1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2141468602 LPTMGXFFDJPSFL-SNVBAGLBSA-N 601.156 6.561 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@H]32)c1Br 2141473033 KDMOJQLJXIBSAE-HIHLCYOISA-N 580.778 7.609 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)Cc1ccc2c(c1)CCO2 2168658537 ACFMBUMVNXZRTO-SECBINFHSA-N 501.465 6.540 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)c(F)c1Cl 2201612392 ZSFCFJZATARWLL-LLVKDONJSA-N 512.346 6.967 50 10 KKGE CCCC[C@@H](C)CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2207146125 WYSRHZMJAOCRGL-BXKDBHETSA-N 554.386 8.623 50 10 KKGE CCn1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)nc1Br 2225615358 GRBCLHBSVFNOMM-NSHDSACASA-N 519.832 5.814 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(Cl)sc(Cl)c1Cl 2255901672 NHHMADJXTCYYOY-MRVPVSSYSA-N 500.385 6.936 50 10 KKGE Brc1cc2sc([C@H](Br)c3ccccc3I)cc2s1 2263617265 DJAABJSVSJGROD-CYBMUJFWSA-N 514.045 6.814 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)cc1I 2269551892 ASYVDINOUPLAAG-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1c([C@@H](Cl)c2cc(Br)c(Br)s2)cc(Br)c(C)c1C 2284588834 INNQQXOPCWNJAC-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2293198235 LXTAHDYNFKSBBH-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 2293198454 UGWJYIFRDDCDFS-DEOSSOPVSA-N 556.009 6.144 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cc3ccccc3Cl)ccc2O)cc1 2294963518 MEYBOHCHRSKPSE-UHFFFAOYSA-N 581.116 6.404 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2Br)cc1 2296648995 WHXVFHJEKYUCRU-UHFFFAOYSA-N 589.291 6.803 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(=O)OCC)c1C 2296790028 KCDTXJZXBZQNCY-UHFFFAOYSA-N 535.691 6.875 50 10 KKGE ClC[C@H](I)[C@@H](CCl)OCc1ccc(Cl)cc1I 2301827147 ZBRWMYXWJLPUJT-WDEREUQCSA-N 519.375 5.111 50 10 KKGE Brc1ccc(I)cc1COC1(CI)CCCC1 2302813948 LSEKDCONGBBWFZ-UHFFFAOYSA-N 520.974 5.318 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 2313545764 DKSPEMVDRFQQLD-UHFFFAOYSA-N 579.660 6.975 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)CC1 2314476692 UCAJFUIETIXJKL-UHFFFAOYSA-N 623.760 6.177 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592941 DTITZBXYNMIWCJ-DCFHFQCYSA-N 574.544 6.876 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593391 MHPILYCZCCMBNE-HSZRJFAPSA-N 542.444 5.728 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314618199 JATWEJNJZOOOJG-UHFFFAOYSA-N 573.093 6.389 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 2314760168 JCYQWZVNAVSDPJ-UHFFFAOYSA-N 508.958 5.320 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1C 2331364376 AAOFQVUUEGNJPL-UHFFFAOYSA-N 511.647 6.922 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3)cc2)n1 2331392391 ZGHDWHFHLXXXPH-UHFFFAOYSA-N 515.034 7.866 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2csc(Br)c2Br)c1 2341185691 GSEIPFCMXXVWLA-NSHDSACASA-N 507.900 7.649 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362220491 LDNXSEYMYUUDEY-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@H](Br)[C@]23CCCC32CC2)c1 2364106002 GMUBIYZHGSASAV-SQWLQELKSA-N 512.023 5.919 50 10 KKGE COc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1Cl 2365837462 DLOUGSFAPGPGAB-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Cl)c1 2381303635 MQDXILGCBLKXBK-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2C(N)=O)C1 4480085 MIXDNBVPUFKCTR-CJAAZZPWSA-N 510.959 5.339 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 9992506 HCEISTOVLZWOFF-VWLOTQADSA-N 513.395 5.740 50 10 KKGE CC(C)CCN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)C(C)(C)CCl 16462055 JMNNIUSZBAHDIP-UHFFFAOYSA-N 532.144 6.477 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 38650853 BJEVKAPEOANQGT-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 38684110 UECBYWFVTWGATI-LJAQVGFWSA-N 526.633 6.465 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)oc2ccccc12 38700518 HYCQCVIZEHEXKD-QHCPKHFHSA-N 501.336 5.941 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812221 VWSXYYCZESAPSQ-JVWAILMASA-N 501.326 5.526 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826744 ZNKXORIYKGZUJV-AWSUPERCSA-N 527.577 5.389 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 58832851 CGQNTUZCXBWCRG-LPYMAVHISA-N 523.589 6.877 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 59116880 PVHXJGDFTOJZNZ-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59148303 VFSRQZDPRUQDOE-IFOSSAPFSA-N 505.643 5.965 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1cccc(Br)c1)c1ccccc1Cl 59460730 JTINJOSPHGGWCP-XHPQRKPJSA-N 500.805 6.170 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 100226312 MSEJZGIBUBSBIV-RLKJGOPYSA-N 541.475 6.664 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 100226820 SNNZIJFZXCAAMO-XZJBEKIMSA-N 576.406 5.372 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242721 MKVGGJFSGMEGJL-HVBJHMBASA-N 559.997 6.311 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244229 GISUCGCJVLMBEE-PUAHKEOUSA-N 550.511 6.914 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101336707 XJXZCQMLZCSRML-FDAWAROLSA-N 601.062 7.157 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 101338864 RASSICPJBYJAET-TURZUDJPSA-N 534.660 6.562 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367235 JWPSODSYBLRVOB-JGCGQSQUSA-N 560.650 7.009 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380294 OLSINBYXLUHHKV-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382097 GHONYBHQWGPOHQ-HKBQPEDESA-N 532.596 6.410 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccccc5F)ccc43)c2)cc1 101382228 KKMPMDTVEUUZIL-JCOAXYOVSA-N 550.586 6.304 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383735 DUWQRTDSOBPIQV-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)ccc1Cl 101384881 UNUQRNKASYYEFP-WJOKGBTCSA-N 621.904 7.737 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101386652 UMCPIYRWRUIEFU-TZBQGJFWSA-N 617.460 7.557 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101392540 WGBZLTBYNVKAEN-QHCPKHFHSA-N 527.360 5.457 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101395854 IMLFFDCDFOXMRT-WJOKGBTCSA-N 580.681 7.619 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(\CNC(=O)c2ccccc2Cl)c2ccccc2)C1 102093217 RMNVMDONURVCTJ-ZIBPCXBESA-N 539.120 5.580 50 10 KKGE N#CC(C(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)=C1Nc2ccccc2N1 103095094 AXYKLFKFFSJMOK-PFONDFGASA-N 527.540 5.684 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(F)cc1 103563293 RWNJTJNBNNGTKK-ALQBTCKLSA-N 604.476 6.511 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 103796542 FKACFWRDTKYXTM-JEPNHJGPSA-N 554.477 8.102 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1 105427356 XATAEEOCMWKMDP-MWAVMZGNSA-N 535.735 8.324 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(I)c1)OCCCO2 109865260 OXJKBWAXUDIRIF-INIZCTEOSA-N 523.990 5.699 50 10 KKGE O=C(Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)OC(CCl)CCl)cc3)c(F)c2F)cc1)OC(CCl)CCl 150345807 ASQWWQOSMZZOSH-UHFFFAOYSA-N 674.258 8.617 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(C)c1 150498712 CPNMFTNVJCMQNB-XAZZYMPDSA-N 631.017 7.755 50 10 KKGE Cc1ccc(-n2nc(C(=O)Nc3ccccc3)s/c2=N\c2ccccc2SSc2ccccc2/N=c2\sc(C(=O)Nc3ccccc3)nn2-c2ccc(C)cc2)cc1 164499820 GTCQKHGXHWLTEA-CMNCGKLHSA-N 835.078 10.567 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1F 164634025 PRONESIAIDGTFT-FDALDRLYSA-N 673.526 7.938 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(Br)nc3c(=O)nc(N)[nH]c32)C[C@@H]1O[Si](C)(C)C(C)(C)C 196037678 HKBBGSKYLFVAEC-RRFJBIMHSA-N 574.669 5.164 50 10 KKGE in-vitro CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 214340350 JNHCYPFIXVLWPE-PBVDAQANSA-N 556.666 7.072 50 10 KKGE CCOc1ccc(C)cc1[C@@H](C)NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1 217183027 KXFQTXNBOQSUQE-RAMZYJDASA-N 508.666 5.386 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 232560715 FURLSWAISHGAEU-MRXNPFEDSA-N 508.035 6.836 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(O)ccc2ccccc12 252612286 IRQNGXJHGLBBDX-KRWDZBQOSA-N 521.046 5.219 50 10 KKGE COc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COc4ccc(F)cc4)c3)c3ccccc3n2)c1 254594482 SOQNATVFALSMQO-UHFFFAOYSA-N 535.575 6.401 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1 254708820 YOXROPCCEYQHSP-UHFFFAOYSA-N 522.226 6.498 50 10 KKGE COc1cccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1 254808290 OTYTVPUDHOSGTC-IBGZPJMESA-N 626.524 5.432 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C)C(=O)[C@@H]2Br 256019412 ZSXKEJHPKZQIOA-DWIXPAAUSA-N 700.512 6.607 50 10 KKGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028361 HFJZHIOEOOCVKJ-UHFFFAOYSA-N 535.489 5.398 50 10 KKGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C(=O)NCCSSCCC(=O)O)c(F)c1F 504144099 FJKANRXSLHOXFW-BQRBNYGYSA-N 979.159 5.621 50 10 KKGE O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@@H](I)C[C@@H]12 504224048 YXECGMDYLGXYJR-ZNFQCSFPSA-N 979.723 8.002 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-] 504352884 TUUHVVPLIGLLEQ-XFCANUNOSA-N 686.304 13.559 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1Cl 1083857863 MGQHRKBCUQJQGM-LICLKQGHSA-N 627.693 7.775 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1083933972 AOYFMWGLYZCCIA-UHFFFAOYSA-N 614.702 7.831 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1083965883 USXXPUIUWZQWOM-UHFFFAOYSA-N 579.078 5.030 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084021499 RWXGKYALDUMTOQ-UHFFFAOYSA-N 542.705 5.095 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084047227 HRTCUZBJPPTYFL-UHFFFAOYSA-N 623.573 5.909 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C)cc3)c(I)c2)cc1 1084225570 FMQMTJOFWNXBKS-VWLOTQADSA-N 698.339 6.146 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Br)cc1 1084273267 HSQAWUYIGPGUGT-HZHRSRAPSA-N 517.423 6.619 50 10 KKGE COc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 1084287798 PVXBZNOIRBTMTJ-UHFFFAOYSA-N 522.182 5.748 50 10 KKGE CSc1sc(SC)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1C=NNC(=O)c1ccc(Cl)cc1Cl 1084338869 SRVTVXXJKOFQKW-UHFFFAOYSA-N 606.409 7.333 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1 1084373316 USYNKNAFZCGEPR-UHFFFAOYSA-N 546.534 7.362 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(C)cc(C)c2)cc1OC 1084378771 BEVQYPOASNDBRU-UHFFFAOYSA-N 602.757 5.691 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12 1084440837 FUALDOXJBVPVQG-UHFFFAOYSA-N 614.145 9.001 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1I 1084504128 KYQUUSXFRBQMGB-NVNXTCNLSA-N 572.184 5.457 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N 1084568176 SHPPYFKIRVCJAU-UHFFFAOYSA-N 575.068 7.329 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773633 VIQGGYZFTMULIY-OUFYTYPBSA-N 647.146 10.753 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720378 MGTJPSIJFCRDID-UHFFFAOYSA-N 654.517 7.063 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744382 COKYYZUWGSGXLV-UHFFFAOYSA-N 518.367 5.588 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)c(Cl)c5)c(C)c43)coc2c1 1772752168 WSEVTEDOZROZKZ-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682510 QIDFACULBMWJHY-AREMUKBSSA-N 504.977 6.573 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865687758 ZMVWZFIKIHJTMA-AREMUKBSSA-N 555.506 6.986 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865688464 SJILDRZBPXFSGT-NRFANRHFSA-N 528.893 6.123 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695901 AMUJRALDQFXIQP-AREMUKBSSA-N 543.023 6.215 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(OC)c1O 1865714748 PGQCFZVTQLAJNL-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866971227 KQDCSJAUNJFZSY-IZZNHLLZSA-N 521.683 6.195 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872754874 MYSIIALQOZHRHF-PWEHGMCJSA-N 510.015 5.943 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 1873920532 HXDWBMBMVWDCNP-QIAIEURZSA-N 505.821 6.803 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915131232 UTKFKEGONOXOMZ-ZDUSSCGKSA-N 506.609 5.761 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2cccc(I)c2)s1 1922929853 MJWACYPKBVADJK-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(C)o1 1924583382 JGDWSLFAMYMTMZ-MRVPVSSYSA-N 507.867 6.730 50 10 KKGE COCc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924609552 ZNDGHRUAFWFZTE-MRVPVSSYSA-N 539.934 6.728 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cccc(Br)c1Br 1925547057 DIHLPZLDBINQMZ-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925585879 SCMGFRSXGCGPND-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Clc1sc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2004902239 JTABAYUUZJMBJD-YFKPBYRVSA-N 609.222 7.997 50 10 KKGE Brc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(Br)c1 2083317767 JIALQCJVRPCUIU-GFCCVEGCSA-N 562.719 7.221 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCOCC1 2085494149 BGHSOLVOONFRBB-GFCCVEGCSA-N 526.288 6.443 50 10 KKGE C[C@H]1CN(Cc2ccccc2)C[C@H](C)N(c2c(CBr)ccc(Br)c2Cl)C1 2098116082 GHOZJYRLFZTEMI-HOTGVXAUSA-N 500.706 6.344 50 10 KKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2108660665 CAKUTGKPPBYABK-XPUUQOCRSA-N 501.456 7.578 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1csc(Br)c1Br)OCCO2 2150344703 QTHNFEOLYWHWQB-LLVKDONJSA-N 547.888 6.291 50 10 KKGE Cc1cccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Br 2201071086 PODQOUCXDNPKQJ-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)cc2C)cc1Cl 2202351528 JIIPFVFBDJZSFI-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE CSc1ccccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406284 XQJGGTPVIBDFKH-AWEZNQCLSA-N 564.362 7.787 50 10 KKGE CN(C(=O)c1ccc(Br)cc1I)[C@@H]1CCCCC[C@@H]1Br 2207272814 PNXBKNISRLOJEY-GXTWGEPZSA-N 515.027 5.222 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2241003099 ZKYKFESUHNDEOY-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1 2268281254 SNLSZNXSBLUQMK-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1c([C@H](Br)c2ccc(I)cc2)cc(Br)c(C)c1C 2284519163 BKBFQOUYYPPXDC-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE COc1c([C@H](Br)c2csc(Br)c2Br)cc(Br)c(C)c1C 2284595789 QZHWAUAFUFFNBV-NSHDSACASA-N 547.932 7.145 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818742 QLSYJKBJUYGQTE-MFAOZCTRSA-N 827.244 14.626 50 10 KKGE COCc1cc(Br)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2295264560 HCBISHBCYVMKLN-CYBMUJFWSA-N 503.481 6.705 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2295838627 XRWYTTCNNSNWFN-UHFFFAOYSA-N 591.111 7.554 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507192 XYGHEQLKLQIUTM-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2ccccc2c1 2313568417 RXDNIPFWQBZWLY-UHFFFAOYSA-N 588.445 7.276 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 2314531416 AWOSXFLMZGILHU-UHFFFAOYSA-N 518.495 5.977 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593295 KYCMHZVOOAEAJL-CCLHPLFOSA-N 563.645 7.132 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314618664 RFPAVPZLGZTZKT-SANMLTNESA-N 625.128 8.125 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314618764 TZBGNEOSBHJDFG-UHFFFAOYSA-N 508.622 5.564 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314619553 BFPWULUAVODVGD-UHFFFAOYSA-N 561.041 6.550 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 2331231775 ATHHINIPONTKQK-SFHVURJKSA-N 505.599 6.821 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C(C)C 2331352185 PILXYHWOBPRIHT-UHFFFAOYSA-N 510.659 7.865 50 10 KKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331358810 QQUBXYCAVNTLJK-AREMUKBSSA-N 521.598 6.716 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c2ccccc12 2331405037 HUXDVNPGXIBTKO-UHFFFAOYSA-N 510.402 6.501 50 10 KKGE Clc1ccc(C[C@@H](CBr)c2ccc(Br)cc2)c(I)c1 2341052688 UMPMQGSXUQCNJT-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE BrCC(CBr)(Cc1ccc(I)c(Br)c1)C1CCCC1 2349807287 HTCVJBYEOPXFIG-UHFFFAOYSA-N 564.925 6.563 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2Br)c1Br 2362240103 ZWPQVICUESNCCI-NSHDSACASA-N 570.703 7.904 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1C 2362445344 XFYBLUHLXAXEEI-SECBINFHSA-N 509.826 6.184 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2364038199 YMVPNDATQUNVTL-QMMMGPOBSA-N 551.924 5.790 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(Cl)c(OC)c(Cl)c1)C(=O)OC(C)(C)C 2365730859 CUNMAUCAOKURGI-LJQANCHMSA-N 532.246 5.969 50 10 KKGE Brc1ccc([C@@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377593935 IJCBACHUFIZJRP-OAHLLOKOSA-N 621.876 6.509 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 33861573 XPLYRNXFDKVZMT-GJFYNSNLSA-N 508.430 6.367 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc(OC)c1OC 38649754 DWSDMQDUNVLMFK-AREMUKBSSA-N 514.578 5.447 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657929 UFQUAXFBVRVWOR-WENCNXQZSA-N 504.586 6.554 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38685487 WRKWOAQRAJXQRA-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59304684 LWSAPVNCWZNGAQ-KVSWJAHQSA-N 503.769 6.745 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 100328008 OARQCDREKNHXII-WUKQQSQZSA-N 594.449 5.996 50 10 KKGE C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)COc1cc(C)c(Br)cc1Br 100970105 VTDAEUDMAXFRMQ-OPEKNORGSA-N 566.077 5.727 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034041 FPNXNVRWZOCBJI-UDWIEESQSA-N 611.908 8.249 50 10 KKGE C#CCOc1c(I)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1I 101097462 IRJCBQXTOIOFCV-OVCLIPMQSA-N 579.179 5.465 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241347 PYWZSCCMLOXIJZ-UZEPBSNMSA-N 502.039 5.700 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244615 GKIGCPGZTQZALV-YHECHFPNSA-N 524.429 6.067 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245437 KTCFDSPBFDXOPN-UZEPBSNMSA-N 536.484 6.929 50 10 KKGE CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl 101304993 GKOBOHZFOWYTSY-AREMUKBSSA-N 544.076 6.417 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101334912 QVDKBHZQUXIKRX-MFKUBSTISA-N 545.555 5.249 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101336983 DTCPJGOVALCESG-CNVWFTDCSA-N 536.632 5.345 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385052 FFSNDKPWYINVGK-PMERELPUSA-N 591.878 7.592 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386523 UAWDWEIHEZTUHD-SSEXGKCCSA-N 552.558 5.859 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101387931 LRFHDELPZXJCTB-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1F 101388776 JVBVXMRHZDANRG-PMERELPUSA-N 536.559 6.241 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102665870 JKUSIKXGHYEEBT-ZUGOUDHMSA-N 528.848 6.712 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 102933488 XDURLTNWOJQALR-YVLHZVERSA-N 587.224 6.253 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)O 103879521 GBOPKXSWFLEZHL-OKCVXOCRSA-N 562.420 5.451 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 105509704 KWBVPGOKSPTIQO-HWSMRRPHSA-N 554.312 7.010 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1ccccc1I)OCCO2 109865631 YNSVHJIDGKINNL-OAHLLOKOSA-N 509.963 5.309 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150409947 WGVNGEUKARSLQV-QFIPXVFZSA-N 672.776 8.344 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1 150430723 WKERIMSXUNVSCA-ABZYITTCSA-N 637.312 5.995 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432949 JDQZMKHFIHFWHJ-MGBGTMOVSA-N 645.539 7.791 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 150541863 VTUUNZMWJDAKMH-AASFFQPYSA-N 628.473 5.712 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 164610585 WNTMZQOGTDCYPP-CHSHITCJSA-N 677.426 9.264 50 10 KKGE C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 170027257 USBJDBWAPKNPCK-UEQSERJNSA-N 615.270 7.570 50 10 KKGE C#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C 198004766 OJXOCHUHYYCJPV-ZNZIZOMTSA-N 557.053 8.774 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 207824790 RALYOFHHSKCHRY-IMVRVGGPSA-N 662.852 7.227 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214335945 CABVVCQYVFBNCQ-VVUSKQGYSA-N 556.666 6.988 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(Br)sc2Br)c1 232481818 LGYVLPMVTHLPRJ-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CSc1nc2ccccc2n1C 253565018 HFIMIINTLNYELD-PPOKSSTKSA-N 583.806 6.782 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1OCc1ccccc1 254395823 YYLONSKSYKGYGW-UHFFFAOYSA-N 502.574 5.680 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 254415689 XJOXSUNQDIVFGP-OQBWFCSXSA-N 570.675 6.056 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1OC 254579604 XCUOSWLUHALTMJ-UHFFFAOYSA-N 539.617 5.053 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 254703213 PJRRFTDHWVNFOD-UHFFFAOYSA-N 542.599 5.189 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025159 POHNLKHHAZMWED-RUDVERNESA-N 644.617 10.491 50 10 KKGE BrC[C@@H](COc1c(I)cc(I)cc1I)C1CC1 701863545 RWPVEWQFEFYDIA-QMMMGPOBSA-N 632.843 5.300 50 10 KKGE BrCC(CBr)(Cc1sncc1Br)c1ccc(Br)cc1 719879828 SEYBUWRLADNREO-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721587895 MRAWZOVOPZAAFA-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Br)c2C)c(C)c1 725385386 RNUZNBKJMWXSPN-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(COC(=O)/C=C/c5ccccc5)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105651 NDCQEKWPFASCGI-CVPOLQJQSA-N 609.851 8.723 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817460 FAGFLKDXAVYVFV-JSLVBRCRSA-N 672.973 7.366 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1 1083981532 PHLSYJZAIFLWIW-KHMVFICCSA-N 548.437 5.816 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 1084056398 SPCBVBJQZCPOND-KRUMMXJUSA-N 613.559 7.830 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084066261 MCQWMZKMQFAJRL-UHFFFAOYSA-N 614.064 6.574 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084091245 RCYSMEDTOSOPNN-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CSc2ccccc2)cc1 1084169894 DHYUIZXONYSWPO-UHFFFAOYSA-N 502.639 7.475 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(C)c1 1084302554 CCWAJOPEOZQXPN-VCHYOVAHSA-N 546.248 7.198 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084619920 ZFHJPWZMBVIQAX-GDLZYMKVSA-N 605.529 6.943 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084631014 LIZZDALNEFQGAK-UHFFFAOYSA-N 531.487 6.723 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 1565519310 KTLCXSJCFHYYID-UHFFFAOYSA-N 518.466 5.458 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)ccc1O 1865681203 HMWVFYSDQFIEIV-XMMPIXPASA-N 514.969 5.524 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 1865687556 UUQNCQVWRCEJRG-DEOSSOPVSA-N 548.521 5.705 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865687637 WLXIRFALCRRBRB-VWLOTQADSA-N 541.479 6.596 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689425 RTUHHKADXORKHS-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689882 FUDOWQMZUIZYLK-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691500 UIIFWRKZLYGQAG-AREMUKBSSA-N 541.479 6.733 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3c(F)cccc3Cl)cc2)cc1 1865693910 RUNNAJRQEOQWQJ-DEOSSOPVSA-N 568.958 6.848 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865695158 LNHYKYPMCOCEQW-RUZDIDTESA-N 564.539 6.204 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696256 CXTWMHPRBRODFE-QHCPKHFHSA-N 577.866 6.581 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865696395 FSVLRRKUXQDUGD-SANMLTNESA-N 523.593 5.349 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703803 GCKMIQCEFVGLNH-XIFFEERXSA-N 554.694 7.451 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704310 SINXBASVWPXCIA-AREMUKBSSA-N 514.988 6.083 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704967 JCTICMRMGLVBDQ-SANMLTNESA-N 558.997 5.732 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705611 ZZUCNAFOMCFZIE-QFIPXVFZSA-N 516.479 5.637 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707355 VETRYWGFRRSQDH-QHCPKHFHSA-N 532.959 5.332 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865711294 UZTMWRJUMSMGMB-RUZDIDTESA-N 528.996 5.496 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cccc(OCc2ccccc2)c1 1865712477 ZSQJHQQUOGFSQE-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE CSCC[C@@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866668022 YKOASMMIIUIIRD-HXUWFJFHSA-N 515.060 5.296 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCC(C)(C)c2ccc(C)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866790505 AMSFOJOLLCHHKU-MUUNZHRXSA-N 543.689 5.918 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867065893 CTLSUAGCHPSIQC-RUZDIDTESA-N 560.676 5.830 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)n2)cc1 1868320106 BKZIOBCMRGWWQO-HHHXNRCGSA-N 522.653 6.327 50 10 KKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Br)cc1 1872729134 OWHLDHWFGGILAB-YBFXNURJSA-N 537.366 6.170 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(C(C)(C)C)cc2)n1 1872751290 AGADFHUGNJSZNO-LCUIJRPUSA-N 504.696 8.066 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1sc(Br)cc1Br 1922934342 FRHDAVQYZZSGKK-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923073326 WHXFOBFOUOVHRB-NSHDSACASA-N 501.509 7.708 50 10 KKGE CC1(C)C2CCC1([C@@H](Br)c1c(Br)sc(Br)c1Br)CC2 1924571637 SUEVBKXJPMZZCY-YGVRBULQSA-N 535.965 7.688 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924579784 JZENNKPBRXILSQ-VIFPVBQESA-N 503.879 6.828 50 10 KKGE Cl[C@H](c1ccccc1Br)c1c(Br)sc(Br)c1Br 1924586300 WCQKKNDISMYRKA-SECBINFHSA-N 524.297 7.126 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924594422 NKMJMWDPPFDZSZ-SECBINFHSA-N 558.742 7.780 50 10 KKGE CC(C)(C)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924608619 KZARTBWKJNETPU-LLVKDONJSA-N 545.960 7.817 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23CCC(CC2)C3)c1Br 1924614025 VUCKLXYMJDKHPF-ATZMEGNHSA-N 507.911 7.052 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2nscc2Br)c1Br 2024282968 OCUVAXZJFJRZKV-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE Cc1cc([C@H](Cl)c2ccc(Br)cc2I)sc1Br 2026222019 SMRWKRZRBKNOGA-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Cc1coc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2085494123 KFMDAYYQQQCRQW-GFCCVEGCSA-N 566.707 7.122 50 10 KKGE Fc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(I)c1 2094674031 QQGLYOYOSDCGIH-ZDUSSCGKSA-N 516.011 6.616 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 2123246474 MMUJHZKPSSAIIP-HNNXBMFYSA-N 501.284 5.642 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccccc1I 2138241986 HSPXQVWKCZSYHA-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE F[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471870 XEQAGXCIDYXUEF-LEAAEXRXSA-N 542.306 7.545 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627282 JFCZGKIIXKGZCG-CQSZACIVSA-N 572.860 6.235 50 10 KKGE O=C(N[C@H]1CCCC[C@@H]1CCBr)c1ccc(I)c(Br)c1 2146724790 KWKQMFXSCMAFDT-YGRLFVJLSA-N 515.027 5.127 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185506039 ASNZRWJLBCGRFU-RTBURBONSA-N 514.689 5.477 50 10 KKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397787 MVFRSYXDQLAOHJ-PFZYVWIYSA-N 560.252 6.298 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)n(C)n2)c(C)c1Br 2227361379 CIXOCPLJQXMQKY-ZDUSSCGKSA-N 515.869 5.809 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)sn1 2260069186 SIBYIQWKPHDMFQ-MRVPVSSYSA-N 526.820 6.193 50 10 KKGE Fc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1I 2278108820 WHWSBHRWESFYQM-GFCCVEGCSA-N 532.035 6.953 50 10 KKGE Cl[C@H](C[C@@H]1CCCC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2281370709 JEYJDGRIHVTSMF-GZMMTYOYSA-N 550.354 7.987 50 10 KKGE CC(=O)Nc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2295882877 WPDZVLFDAUNWGG-UHFFFAOYSA-N 507.369 5.614 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(=O)OCC)c1C 2296790064 LTIYPQYKOKHGHI-UHFFFAOYSA-N 527.624 5.527 50 10 KKGE C=CC(=CC=C(Cl)CCl)NC(=O)NCc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 2297535089 XNFFAKRHSJYNOJ-UHFFFAOYSA-N 528.267 6.546 50 10 KKGE Cn1nc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299535622 RCVSISILKPSBMD-GOSISDBHSA-N 515.043 6.008 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518392 AJFXWHBCQJVEDC-UHFFFAOYSA-N 613.666 7.385 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1C 2314494414 IRKIDZZGAWZZKW-LJQANCHMSA-N 545.134 7.953 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591777 DSQPNDZSABNUQG-RUZDIDTESA-N 550.511 7.490 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592107 LZRHLPULRXZNOJ-QHCPKHFHSA-N 523.536 5.779 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314619094 ZRCRDXZXRJVZTD-UHFFFAOYSA-N 554.716 6.449 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314620954 XAWNJFMCWGYHGK-UHFFFAOYSA-N 507.373 6.097 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 2314646937 VLMAJMWZZJYAIX-NDEPHWFRSA-N 648.741 5.253 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2316727852 YWWZRTXLLWHDQJ-SCSAIBSYSA-N 562.734 6.513 50 10 KKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 2331279330 KKPFUZTVMNQPJO-FQEVSTJZSA-N 508.397 5.686 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385723 FNPRVMCKXOPCQP-QFIPXVFZSA-N 503.580 5.331 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 2331386466 BTGCONYEVDUQCP-UHFFFAOYSA-N 503.580 5.477 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2340063056 GYABEUJHTCWKMT-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Cl 2351643118 SBIFCCHRIBQINP-FQEVSTJZSA-N 519.035 7.958 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)cc1I 2365177650 BYJXXBJVIIXXST-GFCCVEGCSA-N 580.830 6.887 50 10 KKGE COc1c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)csc1Cl 2365196543 NGXPGNHSULRBJD-SECBINFHSA-N 507.444 6.867 50 10 KKGE CC1(C)CCC(C)(C)[C@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2377262708 BHAIRLDPKSLTQH-DOMZBBRYSA-N 514.083 6.822 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 2298252 XPXRPDBMJKTGEX-RCCKNPSSSA-N 509.522 5.744 50 10 KKGE O=C(N/N=C/c1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl 20436724 OESZYNZXGIFSRG-NXMZODBASA-N 508.192 5.828 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 38651757 OKTBDJXQCGKFTE-XMMPIXPASA-N 505.368 5.675 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 38655050 NHLUOGOTZMOXTK-MUUNZHRXSA-N 503.514 5.550 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38700924 FKZSCKCJSUFNPB-SANMLTNESA-N 508.530 5.582 50 10 KKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 40583291 KTDQGSRFVCJHOM-UHFFFAOYSA-N 502.840 5.711 50 10 KKGE CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 59116627 GHLBIAOHRYYLMH-DHDCSXOGSA-N 500.418 5.604 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@H]2CCC[C@H]2c2ccccc2P(c2ccccc2)c2ccccc2)c1 60290746 YJHRUEONIJPVAL-SWBVYJIISA-N 598.751 9.084 50 10 KKGE CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)n1 98018072 KXOMJASMZPPELK-HSZRJFAPSA-N 544.961 6.287 50 10 KKGE CCCCCCOc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(OCCCCCC)cc3)cc2)cc1 100139822 KKDXXFASSIBSOY-DKKRNIPZSA-N 570.734 7.133 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100206202 SREHVGVRGYNCFU-UHFFFAOYSA-N 538.442 5.130 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 100228428 CQXABQMITDQATE-TYNJROEQSA-N 558.416 5.233 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 100236006 XVQCEESKDJWGID-LCVHJTKWSA-N 620.338 6.162 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)[C@@H]2Br 100922129 QZBYJSUZNUZQJF-LEOXJPRUSA-N 582.130 6.816 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 101034141 IGXMHERXFOVXAS-NTEUORMPSA-N 535.772 8.569 50 10 KKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2c1 101134961 ZENZLHPWKWRZQI-UHFFFAOYSA-N 531.443 6.782 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245131 RUYZGHSOCMCBHH-GOHCDNDPSA-N 572.008 6.741 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101245505 QKCGFPRFSYCBLX-KXHAZENCSA-N 537.729 7.526 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245772 QMADYMPVTHJQFD-IEQIIXMPSA-N 562.489 6.221 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 101246882 GBIYAAOBACYOEJ-NNHPPCHPSA-N 551.590 6.396 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381158 GFWPQXGWYKSWOL-VTWXSQTASA-N 603.889 8.063 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)ccc1Cl 101383363 AZYRMFSZELGQDN-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386283 WWJTZCGEBMQKPA-QPHCHLROSA-N 601.030 6.658 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388096 WEDSUFHIIGZBPN-YTTGMZPUSA-N 583.040 6.520 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101389009 DJOUINZNQWZXFT-PGUFJCEWSA-N 622.693 7.810 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(F)cc1 101391675 AUXBWZHHRTZKLD-FQEVSTJZSA-N 545.806 7.438 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101393000 VIKFXEPUDSVRRG-AREMUKBSSA-N 595.504 7.833 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2c1 101398042 DMHDPZDXFWVUDK-HKBQPEDESA-N 611.481 8.373 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101398668 OSPLWXCFVPEEOZ-NDEPHWFRSA-N 591.422 7.157 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 101680522 YYEYXQNIWKWGPJ-HKXCWNTNSA-N 544.607 6.116 50 10 KKGE N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102349314 RKVJUDMJLNPLCB-HKWRFOASSA-N 534.594 5.208 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1cccnc1 102834493 AGOWGEKIWPTHQU-ONUIUJJFSA-N 546.030 6.390 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)[C@@H](F)Cl)c(Cl)c1Cl 103185434 FIKJMANZVNWJOD-WYIRRWHOSA-N 509.667 5.468 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 103723054 VRRAMCINTPBDCM-WUZYOQQESA-N 557.481 6.063 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 103742296 GEKYBYVAGJLQCZ-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 103742332 NUUABPCWMGXSBV-QPSWJSTDSA-N 542.875 7.020 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1 103877829 OGEPXLSTQHJHGQ-HWLOXFRGSA-N 555.678 7.533 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc2c(c1)OCO2 103890974 BLQDMKKMAUTXOX-CIAFOILYSA-N 551.426 6.974 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)sc1Br 109869785 UFMBAUZEHRKWTM-NSHDSACASA-N 503.879 6.828 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150486308 UDXQVTBXABIFGO-ZCWHBTPQSA-N 659.566 8.295 50 10 KKGE Cc1ccc(N2C(=O)/C(=C/NNC(=O)c3cccc(NN/C=C4/C(=O)N(c5ccc(C)c(C)c5)C(=O)c5ccccc54)c3)c3ccccc3C2=O)cc1C 150600826 AZNLZLZAFQEWJA-DNJOOXRZSA-N 716.798 6.527 50 10 KKGE C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164636765 DRGUCCVNKYYZPS-FDAWAROLSA-N 685.303 6.438 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198744340 ZVAAVCKMGUEJSQ-IPPBACCNSA-N 544.232 7.359 50 10 KKGE CCCOc1ccc([C@H](Br)c2ccccc2I)cc1Br 229007905 SDIGWWCZXOETFB-INIZCTEOSA-N 510.007 6.327 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 254518684 OZJXPLWAVMRXRL-UHFFFAOYSA-N 535.551 6.049 50 10 KKGE O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1cc2cc(Br)ccc2o1 254814291 GQHRMKOVUJJMGQ-UHFFFAOYSA-N 578.260 7.454 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 256018997 FJHQZJIDQBXWEZ-ULRJDVFJSA-N 623.382 5.848 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2Br 256019332 UURFMCHTFASYDO-XOLKMLHASA-N 538.162 5.757 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H]2Br 256019915 MHTZHBJPORZCCX-UVBJJODRSA-N 593.925 6.526 50 10 KKGE CCCCCCOC(=O)NN=Cc1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 301055011 SEGHHPAKTYKSLB-UHFFFAOYSA-N 627.746 5.821 50 10 KKGE Clc1cc(I)c(OCCCCCCCCCBr)c(I)c1 312304916 TVBMUEXKCOEBDS-UHFFFAOYSA-N 585.489 7.054 50 10 KKGE C[C@@H]([C]1C=CC=C1c1ccccc1P(c1ccccc1)c1ccccc1)P([C@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2 585658283 CGFLFABMIGBJIL-ZSRBWRFTSA-N 573.721 9.220 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCc2ccccc2CO3)cc1 642813861 AGCBOFHMONFOEM-UHFFFAOYSA-N 656.702 8.341 50 10 KKGE O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237523 JHYOCFZBCHTPQG-XMMPIXPASA-N 545.970 6.906 50 10 KKGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)cc(I)c1OCc1cccc2ccccc12 725413847 BSOKPXTVAHYGGM-UHFFFAOYSA-N 580.378 5.525 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1 1084079990 RXOHIRHTMKXLDZ-UHFFFAOYSA-N 720.405 8.171 50 10 KKGE O=C1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc2N1CCc1ccccc1 1084118391 OTIVUJFVRBAJNR-UHFFFAOYSA-N 506.444 5.075 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(CCOc2ccccc2)c2ccccc21 1084237142 SLOPXHBURBUKAL-UHFFFAOYSA-N 603.742 6.992 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1084337898 BHSDOUQZCFORFV-UHFFFAOYSA-N 610.107 6.111 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Cl 1084408076 FAUPCRVUYYAMIQ-XDHOZWIPSA-N 558.803 6.468 50 10 KKGE O=C(COc1cccc(Br)c1)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084601964 OFVKSXABKHSCPB-UHFFFAOYSA-N 544.652 6.138 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720121 FYKSDNYECDUPCC-UHFFFAOYSA-N 684.543 7.072 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744973 NSOYIKWVEJEYMH-UHFFFAOYSA-N 507.590 5.607 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1C 1772749792 ZTRDAVCMRHIBMR-UHFFFAOYSA-N 505.618 6.446 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1772753400 AGPVQRGTXFXDTM-UHFFFAOYSA-N 511.416 5.518 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(F)cccc1Cl 1772755259 XTWGQOCCGMSMTL-UHFFFAOYSA-N 556.084 6.823 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 1772755271 YKABPCLNPIVTPY-UHFFFAOYSA-N 651.435 8.100 50 10 KKGE C[C@@H](CCCO[S@](=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]21C 1848432747 WSBINBUDUYSHJN-OOWWQPPYSA-N 599.010 10.112 50 10 KKGE CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](Cl)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440197 FMJCESRGYYDTJI-WSNDSJNDSA-N 719.476 8.807 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665499 PDBJUWKMSORENK-GOEZRBRZSA-N 658.644 10.881 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684824 ZLGGYTUWYYOEBR-HSZRJFAPSA-N 565.830 6.380 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685374 HRDNKHQGVVLDJI-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865687468 RTPRLDFZZZZJBX-JOCHJYFZSA-N 530.522 5.885 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865693354 VEFUTQHMGVURQY-FQEVSTJZSA-N 509.404 5.255 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865701678 BGWMLKAJGGDMJL-KRWDZBQOSA-N 507.285 5.378 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702629 XWWGUFSAUCMNPC-HXUWFJFHSA-N 501.787 5.657 50 10 KKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 1866214209 XJTHCTHWEQWQFB-CPNJWEJPSA-N 544.409 5.707 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)c2ccccc2)cc1 1866931741 PIPOCRLFOGMPGF-HKBQPEDESA-N 558.663 6.609 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866990880 KQZDHNLWTMSOQB-UIOOFZCWSA-N 572.583 7.363 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872756107 ROTRHYXSCIKKEL-WORGFVRHSA-N 519.626 6.436 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(CCCC3)C2)c1Br 1924569144 QQWFZDSAAJCIDJ-SECBINFHSA-N 521.938 7.442 50 10 KKGE CS(=O)(=O)c1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924600052 BBVVPKLGNGVWSH-SNVBAGLBSA-N 523.493 5.767 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1 1925584879 LOYYIUIINUDGGC-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)COCCO1 2021896059 KTCKBYSZDHRDLH-GMSGAONNSA-N 513.871 5.277 50 10 KKGE Cl[C@H](c1cccs1)c1c(Br)c(Br)cc(Br)c1Br 2025782749 PBTWVFOYBLQAOG-LLVKDONJSA-N 524.297 7.126 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2nn(C)c(Cl)c2Br)c1Br 2048155004 HFKYPHXLZAESTA-RXMQYKEDSA-N 542.316 6.215 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2050464383 NKDIRHAOSKUFLG-ZDUSSCGKSA-N 504.000 6.301 50 10 KKGE Cc1ccccc1[C@H](N[S@@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C 2080770984 QJYMSQMBMNSAOT-BTDRIEDLSA-N 617.795 8.326 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@@H]1C2 2085491975 DGTNYXHSSQFYKP-AJJMPYILSA-N 522.300 7.207 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085495700 RYERMURNIQKOKK-NWDGAFQWSA-N 526.288 6.443 50 10 KKGE Clc1ccccc1C[C@H](Br)c1ccc(Br)cc1I 2086146417 ZKIZZZIIBJEQTQ-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE Cl[C@H](c1csc(Br)c1Br)c1cc(I)cc2c1OCC2 2093942707 YPZZXEADNWXTKY-NSHDSACASA-N 534.438 6.141 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123846 SQAHVMAANFZSQI-LDYMZIIASA-N 501.456 7.578 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Br)cc1I 2142285595 RLTLPVDGXQTXPW-XLKFXECMSA-N 515.414 6.295 50 10 KKGE ClCc1nc2cncc(Br)c2n1-c1cc(Br)ccc1I 2151791221 VNBPWSKEGLXEEO-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC[C@H](OCc3ccccc3)C2)c1Br 2186389598 NJTGTPJLMJWYGC-SFHVURJKSA-N 517.283 5.022 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2203002333 ORYJISYLUTXGEQ-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCCC23CC3)c1Br 2206398004 PLOWXHSPZIJJHC-PELKAZGASA-N 594.805 8.143 50 10 KKGE FC(F)C1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2217483374 RORYFNBQSGEPPG-DGZDMUDUSA-N 517.853 6.763 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2sc(Br)c(C)c2C)c1 2224053048 GNVJRSRKRZTDGS-GFCCVEGCSA-N 500.037 6.525 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225632464 CDFXDWPRBSAATP-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)c(C)c1Br 2235611879 YDDIYFURTVEEGR-HNNXBMFYSA-N 572.904 7.226 50 10 KKGE Cn1ncc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2272854492 PPXSHMBKAOXEGU-QMMMGPOBSA-N 523.795 5.470 50 10 KKGE COc1c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)csc1Cl 2284308609 HCYLMIWZHJMWNK-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483044 UKVCHOCONBBAOI-UHFFFAOYSA-N 598.453 5.678 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1cccc(Cl)c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2295934361 JARDOCYNTMQYJZ-MHZLTWQESA-N 614.554 7.887 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccnc1 2296730164 BKBMXWMRQVBKSI-UHFFFAOYSA-N 511.585 5.737 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2297458656 QPAUPVFPBROVGY-HSZRJFAPSA-N 508.430 5.736 50 10 KKGE N#CC(=Cc1ccc(C=C(C#N)c2nc(-c3cccs3)cs2)cc1)c1nc(-c2cccs2)cs1 2297466988 NDHDBTSGIRSGBK-UHFFFAOYSA-N 510.694 8.185 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl 2313521272 BRSRLSNHIBGMKJ-UHFFFAOYSA-N 572.830 6.695 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 2314475752 BQYMSCSYBNDFKI-UHFFFAOYSA-N 558.686 5.684 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592881 DDBJNKMQORSJMG-BTYSJIOQSA-N 523.702 6.731 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 2314777456 GALQFWHGRCDLHZ-UHFFFAOYSA-N 504.608 5.348 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2331392349 UKMMHEKZUKWIHS-UHFFFAOYSA-N 518.866 7.768 50 10 KKGE COCc1csc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362234764 IRHVZOFCLLNQTR-LLVKDONJSA-N 507.444 6.696 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 33412174 HIQPTIYCMZIZEW-MOSHPQCFSA-N 514.478 7.545 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 38681982 ZNOFVUKUSTYCFJ-AREMUKBSSA-N 504.608 6.153 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684636 MIWNLWLXJUSZDB-NDEPHWFRSA-N 502.542 5.453 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc(C)c1Cl 40813758 LUXWADGTJIHQJW-VUTHCHCSSA-N 519.812 6.855 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59260875 WEBVOVCUUNMWPW-ZTCXCAHESA-N 526.666 5.286 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914876 HASPXURSCAPTBD-MUUNZHRXSA-N 515.094 5.673 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 100235381 HWXZSLZSDPVNKQ-PCYMAAINSA-N 580.306 6.698 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246734 ZVEQVWQVIBTFRF-OMBWOSJFSA-N 534.037 5.812 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101332532 IFARKWTVXQMHMP-JFLMPSFJSA-N 583.475 7.037 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1 101333270 KDIYAPCGTARXGS-JBASAIQMSA-N 550.703 7.281 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362449 CTEDAQFPZXFVRC-SSEXGKCCSA-N 549.539 5.376 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 101372203 AJUBECTVZOIAGF-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101375287 IFSBRFMXGBTCAR-LJAQVGFWSA-N 591.502 7.244 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1 101378578 RTTXEZBJZUZVDG-LJAQVGFWSA-N 533.540 5.920 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101380038 RPSRABYVMMFITB-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381257 NZFNCBXTLZQEJX-VPTFNQTCSA-N 605.449 7.303 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1Cl 101391120 ORPDSJSWEZIUAI-HSZRJFAPSA-N 529.807 6.873 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1Cl 101391466 DIJVAQAPYKGUBN-NRFANRHFSA-N 546.204 6.202 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)oc2ccc(Br)cc12 101391493 NFMMVPFDINGZCU-HSZRJFAPSA-N 580.232 6.704 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396503 GBUMTTPNGLMSNP-RUZDIDTESA-N 579.505 8.214 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2cc1C 101397773 PBPNMQDCPNQJJL-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101397832 KGBQAORLLUWGQH-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101491502 LSZZPFKOOSMTTH-UHFFFAOYSA-N 530.588 5.862 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602986 BZMLELLLWOYQDE-LZBRRTOVSA-N 564.041 7.910 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609940 YGMJKSZPKSVUNN-JGRMKTMXSA-N 546.454 7.136 50 10 KKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCCCCl)[C@H]3c1ccc(-c2ccccc2C(F)(F)F)o1 103197809 OJIUWGIVPVQZNW-NDEPHWFRSA-N 545.001 7.729 50 10 KKGE CC(C)(C)c1cc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(C(C)(C)C)c1O 103732565 KEOYJDLAYJPHEG-DXZLVOTDSA-N 594.412 7.176 50 10 KKGE COc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 103874367 AFWIVQUCBLBRKQ-DPNNOFEESA-N 586.783 6.846 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1csc(I)c1 125735293 QZQFCRWIDKSLMC-ZDUSSCGKSA-N 516.036 6.225 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442277 HEHDEVGDLUYAHE-SSEXGKCCSA-N 677.993 9.277 50 10 KKGE CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CN(CCCl)CCCl 158961869 VFBRDXSMQKKJLN-KGHIKEGSSA-N 662.699 5.962 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 163742453 WNTLDKQFYJUWPY-UDWIEESQSA-N 650.198 7.353 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1 164608474 ZFYQYPCURANPHU-FJEPWZHXSA-N 625.260 7.296 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214349387 YRRBBDLGJWKMHK-NIJLLOFRSA-N 645.785 5.795 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214354267 TYCOBEKKWKQFAI-MIXAMLLLSA-N 544.586 6.036 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 214363279 SIFYDEXBJMNNPD-VEILYXNESA-N 520.633 6.171 50 10 KKGE CC(=NNC(=O)CCCCCC(=O)NN=C(C)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(NC(=O)C(F)(F)F)cc1 252641118 YZUDPYMGJVXODZ-UHFFFAOYSA-N 614.547 5.019 50 10 KKGE O=C(CSCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254396060 HJUIPEWSWAWSRZ-UHFFFAOYSA-N 566.683 5.178 50 10 KKGE COc1ccc(OC)c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 256022836 UUUZGVIXMJZJKX-DOPJRALCSA-N 540.090 5.328 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(OCc6ccccc6)c5)[C@H]43)[C@H]12 256025850 MHWSCCDLCGTTKK-IVECGHKRSA-N 507.658 5.573 50 10 KKGE ClCCc1nc2cc(Br)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705610262 LWHVDSPFULZAOX-UHFFFAOYSA-N 524.890 6.052 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(C)c1 725401436 NOPGTKLPLRNGCZ-LJAQVGFWSA-N 530.665 6.064 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1 1084018224 XRGCTLZBWFLRNK-UHFFFAOYSA-N 504.620 6.917 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1 1084079977 KSOKDUUTZGSQAW-QFIPXVFZSA-N 548.808 5.488 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1 1084210109 SGNACACVIMGNHQ-UHFFFAOYSA-N 538.225 5.873 50 10 KKGE Cc1cc(C)cc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 1084320367 SJHRHBMWLGOYKA-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1cccc2ccccc12 1084374487 GQOREDWALABQFW-LFVJCYFKSA-N 543.450 8.008 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1084399807 BUWBXSVRCOKFFG-QMMMGPOBSA-N 510.997 5.142 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 1084427201 KHHJYJSLRLHZGS-VWLOTQADSA-N 589.914 6.443 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1C 1084457677 HDFNIWMRTRPODY-JGCGQSQUSA-N 536.701 6.249 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cccc(Br)c2)c1 1084561323 NAAXBFNXPWSSKF-UHFFFAOYSA-N 538.276 5.941 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 1084594233 QSGLDUHKWNSTGG-UHFFFAOYSA-N 518.404 5.016 50 10 KKGE O=C(NN=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 1084638550 RAUAZHHDCLXNME-CYBMUJFWSA-N 568.156 6.231 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c(Br)c1 1772747008 CDOMMZJFCMXSST-UHFFFAOYSA-N 559.804 5.943 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686418 VQERPMVAHMRGQL-DEOSSOPVSA-N 500.961 5.926 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687356 PHTRLZRKJNYQPI-HHHXNRCGSA-N 512.997 5.699 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865689450 SGIPGCJOKHKBKF-RUZDIDTESA-N 512.997 6.208 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865694810 CECSHNNGOHBQGT-HHHXNRCGSA-N 512.997 5.948 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698153 LRMWVCMOJZDLOJ-QHCPKHFHSA-N 571.903 6.314 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865704770 DIDRMPASQNNZCV-HSZRJFAPSA-N 546.505 5.646 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711808 ILKGVUNCMHBVEK-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009064 DFFBNNDEDKLIQU-KYJUHHDHSA-N 571.699 5.834 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)c1 1868457034 XPVHZTXWJMFOTM-UHFFFAOYSA-N 525.653 7.210 50 10 KKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748842 PQWMZIWBJSOXAW-DGNXNODXSA-N 512.418 6.620 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c(OC)cc1Cl 1872756489 MGJBXMIIJOLELH-QOCHGBHMSA-N 512.031 6.264 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872790260 VTSQTLDTSIORIG-KGENOOAVSA-N 510.059 6.564 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873795539 PDRBLJASVWUNDV-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(F)cc(Br)c2)c1Br 1922896052 BLJHIMFINDQSOG-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922937188 AFYASXXPXGOGJC-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE F[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924569834 AUYJNOXQBKSMBL-JKMUOGBPSA-N 513.890 7.000 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593264 DAWIADUSJWZYBT-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE CCCCC1CCC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924601614 MMQVMUFWLCTPGG-SRHKJQAYSA-N 507.557 8.312 50 10 KKGE CC[C@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605628 UOBLEPRGMIEDKO-APPZFPTMSA-N 511.943 7.544 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 1924614396 NTXYCZLLPXXVND-MNCSTQPFSA-N 509.883 6.039 50 10 KKGE C[C@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2003103418 JZSGDSSCAABNHB-ZKWXMUAHSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCC2)c1Br 2079392994 OAQUEUWHNYLFNT-KHQFGBGNSA-N 521.938 7.298 50 10 KKGE CC1(C)CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493576 DJDOIRAEEHCNNA-SNVBAGLBSA-N 568.767 7.609 50 10 KKGE Brc1cc2c(c([C@H](Br)c3csc(Br)c3Br)c1)OCC2 2093941983 HPNQSJYRARTGPE-JTQLQIEISA-N 531.889 6.455 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCn3nccc3C2)c1Br 2108966069 PFNLABYKEAYRBT-IMTBSYHQSA-N 533.909 5.931 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2138238351 IEJBOMWBNFVSCZ-SNVBAGLBSA-N 509.872 7.073 50 10 KKGE CC(C)(C1CCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469009 QENNVHVRYDEFHT-CYBMUJFWSA-N 582.794 7.999 50 10 KKGE O=S1(=O)CCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469302 UNHRQJPFMNITIP-HQJQHLMTSA-N 560.327 5.594 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)o1 2141477465 QOARNYNDVZNQOR-ZDUSSCGKSA-N 536.283 7.275 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(C)c2)cc1Br 2142140647 LQNMKNFTGSFNAQ-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1Br 2148753615 XBGKARNPYUBNSY-AWEZNQCLSA-N 527.876 6.857 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)cc1OC 2150344210 FYCYBIJMPLUDMA-LLVKDONJSA-N 549.904 6.537 50 10 KKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1(CBr)CCC1 2172409935 ZVJXZXLGXPETGL-UHFFFAOYSA-N 505.172 6.428 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(C(F)(F)F)c(CCl)c1 2181262627 WMMMBMATYCFGCF-UHFFFAOYSA-N 526.465 5.148 50 10 KKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397899 OFBHBCSSPRYIRN-PELKAZGASA-N 596.821 8.389 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCC12CCC2 2206398466 VJZOSYKXSJUFIQ-RMLUDKJBSA-N 550.354 7.987 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405801 QNKMWQCIVSGJSL-PRHODGIISA-N 574.354 5.984 50 10 KKGE CC[C@H](C)c1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2207270820 DKWFZYBQJBPHBA-APPDUMDISA-N 508.035 7.052 50 10 KKGE C[C@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCBr 2207273051 RAWAUJZWYUSWMG-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1I 2212992566 PEAMVDLULXTVEE-NSHDSACASA-N 550.879 6.670 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(I)c(Cl)c1 2218801322 TYZABGUDGXBIFY-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE CC(C)(C)OC(=O)NCCCN(CCCCCI)c1cccc(Br)c1 2220215073 GTMMVZNDZSLWLJ-UHFFFAOYSA-N 525.269 5.776 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2232509358 CMIVPOCAXMJJPD-LLVKDONJSA-N 542.707 8.263 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2236515725 FIFLLOSHRRDWKS-CYBMUJFWSA-N 594.805 8.143 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(Br)=Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2293740379 WERVEZZHZDBXQM-UHFFFAOYSA-N 596.938 6.617 50 10 KKGE CN1CCN(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)CC1 2296705968 DHJWFGOONIRWDT-UHFFFAOYSA-N 538.051 5.453 50 10 KKGE CCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2Br)c1C 2297356609 LOSGRLFGFWAICF-UHFFFAOYSA-N 523.225 5.129 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 2297458694 WIAUFTLDPSQHOL-DEOSSOPVSA-N 532.463 6.131 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518751 RBKVTFKDBMGBJV-UHFFFAOYSA-N 581.193 7.158 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1 2313541714 WBLVUZZCLJLZFS-UHFFFAOYSA-N 577.191 6.317 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)cc1 2313570676 CSKLKFMXJBRISS-UHFFFAOYSA-N 527.835 7.509 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2s1 2314478497 OEYOMZWYKYRIRO-UHFFFAOYSA-N 545.067 8.446 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)cc1 2314478627 PWWSBJJNPCTRQQ-UHFFFAOYSA-N 516.645 6.783 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592601 YKYOAZRWWFANDR-HHHXNRCGSA-N 511.647 6.021 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592814 CDIQGLBDCVAPNZ-SSOJOUAXSA-N 552.483 6.306 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314616867 LMYNPQLRRIQKII-UHFFFAOYSA-N 512.997 5.736 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C(C)=C(C#N)C2=O)cc1 2314616980 OIAZROORKQXOHE-UHFFFAOYSA-N 540.579 6.087 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618983 XUSALUZJAVPHQU-HSZRJFAPSA-N 528.612 6.210 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314619811 FRUBDQUZRWVKOU-UHFFFAOYSA-N 594.027 6.292 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314619979 ILOWKUGTKIWIQH-UHFFFAOYSA-N 540.591 5.647 50 10 KKGE CCOC(=O)C1=C(NC(=O)C(C#N)=Cc2ccccc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 2314716817 QXLHVKBUKVLPPR-HHHXNRCGSA-N 500.554 5.862 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2316709827 PLWNXYLULZKQSQ-HNNXBMFYSA-N 593.939 6.771 50 10 KKGE O=C1C(=Cc2cc(Br)cc3c2OCOC3)Oc2cc(OCc3ccc(CCl)cc3)ccc21 2325339300 QAJAURLSYVYWRM-UHFFFAOYSA-N 513.771 6.250 50 10 KKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 2331330682 ABDUXYOYABKFDG-OAQYLSRUSA-N 501.564 5.085 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)c2ccccc12 2331406343 ATXCAMVLJWHRTL-UHFFFAOYSA-N 516.622 8.057 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(C)cc1 2331421689 JWRBGILLAZUVBJ-UHFFFAOYSA-N 521.469 8.467 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336046702 GLOKGMGOXIERFK-NRFANRHFSA-N 541.077 7.284 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)c(I)c1 2340067884 HJUDSADEMJIQHA-CYBMUJFWSA-N 504.039 7.312 50 10 KKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362251167 MTMCMQKFBWGNPO-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE CC1(C)CCC[C@@]12[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Br 2364106831 NBUOFMGUSLHTBV-IJEWVQPXSA-N 514.039 6.165 50 10 KKGE Fc1ccccc1[C@H](CI)OCc1c(Br)cccc1Br 2366183185 RULYJBRXDDIZQQ-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(SC(F)F)cc1 3298602 LKCRDKVNDXBMOK-RGEXLXHISA-N 530.556 6.171 50 10 KKGE O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 33809215 FEIRJZJNUUAJGZ-UHFFFAOYSA-N 506.478 5.537 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1 38660015 KCAONFVJURYXMW-PMERELPUSA-N 518.569 6.020 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38685258 HVWPZQFGTLDTED-MHZLTWQESA-N 504.970 5.721 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 38686940 ZIEILDCPDLLISR-JOCHJYFZSA-N 507.398 6.954 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 38701179 VSRJUAOTBBDGQO-DEOSSOPVSA-N 517.006 6.699 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)c1 60291156 LTOHPFFYJMDYFK-DISZHMCESA-N 522.653 8.043 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1sc2ccccc2c1Cl 96401672 DOWIZIRUZVINMK-LGMDPLHJSA-N 504.999 6.165 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 97959545 XAZLYKVTFSYKJA-NLRVBDNBSA-N 554.488 7.544 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 100953688 JAKDRLRQJVYLIC-IIKIPUBNSA-N 541.655 5.677 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(OCC)cc1 101241832 CATYMYWKJGQTNW-AXVPLRHPSA-N 502.423 5.121 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101334085 QHUQXDJVGZGGSM-NEIHUHTASA-N 545.437 5.701 50 10 KKGE COc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101337991 HNPFTKDINPWFHB-FBTHGLLTSA-N 512.993 6.281 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101366931 FQUKRSIKFJIKQR-DEOSSOPVSA-N 521.367 5.294 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 101376465 GJQIPVJMMINGAF-AREMUKBSSA-N 533.968 6.255 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1 101377919 SXDYHJNKSNFUJB-JGCGQSQUSA-N 554.687 7.652 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384772 GSYGOGDKRVVXTA-PMERELPUSA-N 618.429 6.683 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386543 IWMCCCIRPICPDY-PMERELPUSA-N 552.558 5.859 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101386870 MWIASXRTNAPQTO-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1 101388511 ILPPLUWJLIGTSP-MUUNZHRXSA-N 559.043 6.817 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1Cl 101392218 BXCFEAGBFNGKKG-SANMLTNESA-N 569.441 6.627 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc(OC)c1OC 101393439 JPMHAMOTYWUSMY-XMMPIXPASA-N 563.031 6.326 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2cc1Cl 101397939 ILSBDOPDPCFYJW-HKBQPEDESA-N 595.026 7.859 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101612089 QCCKDVJUVBDIIB-AJBULDERSA-N 558.418 5.559 50 10 KKGE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)sc2c1CCCC2 102516705 IQEOZMNSUNIPLA-CYVLTUHYSA-N 526.618 5.762 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)cc1 102667056 OJJBMCDPXDCGHQ-XYZDCVNTSA-N 522.457 6.675 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883298 XFGNJQHBAUHRPH-OVVQPSECSA-N 599.472 6.279 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)c1 105360315 IRSANBILFWYDLV-UHFFFAOYSA-N 538.442 5.282 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(OC)c1OC 109869782 RVXRPSCREZMIKH-LLVKDONJSA-N 501.034 5.783 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1Cl 150462038 CDFFOUZGIOAUPN-JGCGQSQUSA-N 714.429 9.504 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 198484077 MILYVWHUDKCSIS-GFRUCKHESA-N 924.727 18.718 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 205643225 BQNGISPDSRKNLZ-OZFFEKOWSA-N 556.662 7.400 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 205652028 ABCSUTLRPKWKDB-LBYYBPDNSA-N 542.635 7.613 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214411618 XTAHXEPCWMQBLL-QFEZKATASA-N 514.528 5.735 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 252462295 RHVUWCOPIAXOFJ-QWGKTMRZSA-N 565.746 10.076 50 10 KKGE CC(=NNC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 252596386 CIXGXIZWZBMSRX-GOSISDBHSA-N 598.885 5.809 50 10 KKGE CCCCCCCOc1ccccc1C=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 252617937 LBTZLOZSRBEKKH-UHFFFAOYSA-N 549.737 6.505 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)[nH]1 253575601 UUIFRWLBVQVDGI-FLVUUCOMSA-N 634.855 5.501 50 10 KKGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1c(Cl)cccc1Cl 254572930 XGQMTOJDEWDFKW-UHFFFAOYSA-N 503.889 6.033 50 10 KKGE aggregator C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@H](C)C(=O)NN=Cc1cccc(Br)c1 254734061 QJYQRHDUZQHUAS-GOSISDBHSA-N 549.498 5.623 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(N=Nc6ccccc6)cc5)c(C)c43)coc2c1C 256018625 WEFALCKTTNRMAH-COKUEOHZSA-N 573.653 8.018 50 10 KKGE O=C(O)c1cc(N=C(O)CI)ccc1C1c2ccc(O)cc2Oc2cc(O)ccc21 328578547 ORVCTVFWJJTBNH-UHFFFAOYSA-N 517.275 5.105 50 10 KKGE ClCc1nc2ccc(Br)cc2n1-c1ccc(I)cc1Br 394397653 IHJIOVNIOBRBHI-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CCCC(C)(C)OOC(C)(C)C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 504052336 MQGVLLQFFLTSOQ-YHEVDPPRSA-N 558.800 7.572 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]12C)C3(C)C 504659444 BBYAQPUKLNVRCJ-MTCXPKFDSA-N 815.162 7.712 50 10 KKGE CC[C@@H](Oc1ccc(Br)cc1/C=N\NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 675031413 JQMQDQYHIBNCMY-ZESSNMITSA-N 679.796 5.733 50 10 KKGE CC(C)(C)OC(=O)N1CCN(C(=O)NC[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CC1 725238907 SVMLUCRODLZURS-VWLOTQADSA-N 599.153 6.116 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 725419326 AWRKYNLHKRZHMO-VWLOTQADSA-N 599.478 5.488 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 1084005608 ZCKMNYJGPNECGU-UHFFFAOYSA-N 690.675 6.687 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084156198 DWOYSZCYVRLJCA-UHFFFAOYSA-N 639.561 5.395 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084289363 RYGSJHKKKGPQPW-UHFFFAOYSA-N 569.514 5.742 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccccc2Br)c1C 1084353229 UYCMEZZYOKLBGQ-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OC(C)=O 1084382603 UDMCLUPNLKPCIO-UHFFFAOYSA-N 546.421 5.913 50 10 KKGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1084522601 YATCTUHYJYXIGR-UHFFFAOYSA-N 511.464 6.266 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1 1084535499 AHUXEARDDFMQEO-UHFFFAOYSA-N 558.226 6.309 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 1084634036 LHJNEXNUQUYRNS-XMMPIXPASA-N 634.321 5.851 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084640537 AXGXUBHQJGXWCG-UHFFFAOYSA-N 673.113 6.339 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743558 BOAPPOOOCBRTMB-UHFFFAOYSA-N 510.388 5.472 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681184 HDDXQCFNJIOROJ-JOCHJYFZSA-N 515.367 5.234 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683990 KOGIERBQWALCCA-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865688809 BHNWQPCJDBNEMU-VWLOTQADSA-N 512.997 6.208 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865691102 JGQXQGNWHZMDLW-RUZDIDTESA-N 571.475 6.376 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865695113 KHOTXBMQKLZDPQ-SANMLTNESA-N 511.025 6.657 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698067 JKBQVGIRVWCFPH-OAQYLSRUSA-N 543.849 5.865 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699383 SGSFEHMMERBLIU-VWLOTQADSA-N 507.981 5.911 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865702857 GWOMFOFBIAJJTG-LJQANCHMSA-N 506.887 5.750 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703004 KMBPFKDLQQGJPU-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865707002 LIQGBXIIWLAOAW-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE CCCC[C@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867081707 QIBMKUPSCDHLJS-QHCPKHFHSA-N 525.675 5.096 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867206407 JRNCBGOWOIOLTK-JSOSNVBQSA-N 584.141 7.200 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](Oc4ccccc4)C3)n2)cc1 1868527643 DPWHALJLHFIASG-AREMUKBSSA-N 523.662 6.907 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)nn1C 1868545488 XVCMSYYAPXAVRT-UHFFFAOYSA-N 538.725 6.579 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccc(Cl)cc4)c3)nc(O)c2cc1OC 1872727603 NFAKDYXYEPMREZ-VCHYOVAHSA-N 503.942 5.658 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872744838 KLKBBHLFRBNLGJ-GUYLDNPGSA-N 517.876 7.829 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccc(Cl)cc1 1872792265 ONJVAJQENNYAIC-HZHRSRAPSA-N 509.030 8.268 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c(OC)cc1Cl 1872793718 POUWFBHVNUCZEP-YBFXNURJSA-N 523.441 7.777 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCC(=O)N(CC)CC 1872794363 XIMLFNWQMIJQSM-OEAKJJBVSA-N 503.668 6.445 50 10 KKGE Brc1cc([C@@H](Br)c2cc(I)sn2)sc1Br 1909889454 QLYAZQNLRCIAGM-ZETCQYMHSA-N 543.869 5.819 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1cc(Cl)ccc1I 1915282330 WQRJIRRBXRTTQJ-LJQANCHMSA-N 506.653 6.366 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1c(Br)sc(Br)c1Br 1924585444 LSSORVWKVBSGAT-ZCFIWIBFSA-N 609.222 7.950 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1C 1924596205 KOUPLFZIOWFBSF-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2083333416 GYYROPYMSIGUEE-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE Cc1c([C@@H](Br)c2ccc(Br)cc2Br)c(Br)nn1C 2083336484 AORJDFNGNUWQNV-NSHDSACASA-N 501.842 5.500 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Cl)c3cc(Br)sc3Br)cc(Br)c2O1 2146615279 DZDZMDSRRYUKCN-SREIQFSDSA-N 501.465 6.687 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2203689739 BFYZBTLEKGVNRC-CQSZACIVSA-N 529.867 7.214 50 10 KKGE CCC12COC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206403480 ZYPZOOMULNUOGU-HSBZDZAISA-N 596.777 7.132 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccccc2I)c(Cl)c1Cl 2224304116 FVDUXNPVIPUVMZ-NSHDSACASA-N 555.262 7.498 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CC[C@@H]1CCN(Cc2ccccc2)C1 2234059477 SVDGDNVTPITUIV-INIZCTEOSA-N 511.689 6.212 50 10 KKGE Clc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1I 2248212513 JBJXCQQEMUTKEY-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2267983822 JPNIEESEADLNGO-GFCCVEGCSA-N 536.258 7.251 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277949069 OIEQOLCPEDYFJQ-LBPRGKRZSA-N 532.295 7.306 50 10 KKGE Fc1cccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1I 2277964682 GTKJZVOYDUIXDI-GFCCVEGCSA-N 518.389 6.478 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC(=O)c1cccc2ccccc12 2295459580 AFYYNMAWCXGHPZ-UHFFFAOYSA-N 550.920 7.285 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2295979426 NNXFYXBEKOYABQ-JOCHJYFZSA-N 563.293 7.365 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296506847 HZFJNCCYWCLYKG-RUZDIDTESA-N 552.483 5.787 50 10 KKGE COc1ccccc1C1CCN(c2ccc(C=CC(=O)NNC(=O)c3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 2297564875 UXUUUQRCZADPDW-UHFFFAOYSA-N 568.552 5.481 50 10 KKGE ClC[C@@H](I)[C@@H](CCl)OCc1cc(Br)cc(Br)c1 2300179467 TWUVWKGVWIDXRL-GHMZBOCLSA-N 516.826 5.378 50 10 KKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1Br 2301083415 IMBRJUDFEKVBAX-NSHDSACASA-N 506.428 6.561 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566778 AABBDCXYYCVDNV-UHFFFAOYSA-N 554.847 6.076 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 2313568016 NOGWZUVSILVOAI-UHFFFAOYSA-N 591.218 6.626 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313568160 OXSFYEYVKQHJGV-UHFFFAOYSA-N 583.382 6.031 50 10 KKGE CCOC(=O)COc1ccc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570790 GJULSKQIQAULFX-UHFFFAOYSA-N 545.160 5.086 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)CC1 2314476603 RNNZVNVKZOXHGQ-UHFFFAOYSA-N 606.708 5.444 50 10 KKGE CCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 2314522495 LOMPUGXDUQXPNP-UHFFFAOYSA-N 522.605 5.221 50 10 KKGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2314531583 COJXPLYQAWTWJW-UHFFFAOYSA-N 507.333 5.348 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C(C)=C(C#N)C1=O 2314610215 FHXWMMMQQNIFIW-UHFFFAOYSA-N 536.676 6.891 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1F 2314610464 IRARERWJQMJUKT-LJQANCHMSA-N 512.585 5.858 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 2314616433 AJGYOLNINKGSHD-UHFFFAOYSA-N 532.644 6.338 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314617953 DQFWSAPSQWHRBD-AREMUKBSSA-N 536.632 5.406 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314619049 YZYXXLCJGFRQQW-HSZRJFAPSA-N 544.680 7.005 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634709 CBWNUMLVJJPTRK-PMERELPUSA-N 510.590 6.020 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@H](C)C2 2314646684 JGBZEPIDRFFBBZ-BTYSJIOQSA-N 630.726 5.088 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1 2314738176 KTKQFIHHTFZFHH-UHFFFAOYSA-N 526.589 5.333 50 10 KKGE BrCc1ccc(Br)cc1Oc1cc(Br)cc(I)c1 2316759314 KZIQPTHUZLIFLE-UHFFFAOYSA-N 546.822 6.503 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c(I)c1 2317772506 DGGUPBHBQYVPDA-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 2328824641 BLWIXLUBDJIFAC-NRFANRHFSA-N 508.446 5.962 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331259566 XPDDCCULQYKYLI-UHFFFAOYSA-N 516.579 5.930 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1 2331318647 KMYFMAOGGAIYAK-UHFFFAOYSA-N 511.559 5.938 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2cccc3ccccc23)cs1 2331337827 DWRHXAIYWARXQJ-UHFFFAOYSA-N 514.566 6.104 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2333303576 KLHDTQIGVBEZGB-MOEZTCPLSA-N 580.778 7.609 50 10 KKGE C[C@]1(C(F)(F)F)C[C@]1(CBr)Cc1ccc(I)c(Br)c1 2349842014 VXFWZUOVLQCQRY-RYUDHWBXSA-N 511.945 5.950 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2362233317 ZBXFNMLJSLMKFW-KVQBGUIXSA-N 503.353 7.029 50 10 KKGE Cc1ccccc1NC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2794011 KDSCHMVKCNNMJP-PZJWPPBQSA-N 516.593 5.607 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 29503136 FOGMNEXDEBTEJH-LHLOQNFPSA-N 565.699 5.958 50 10 KKGE CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccccc5Cl)(c5ccccc54)[C@@H]3C2=O)cc1 33355999 VRESEZXBDHULQI-JIXMVBFRSA-N 590.035 5.232 50 10 KKGE CCCCCOc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)cc2)cc1 34781008 ZEYWJXLYZIEYKW-FYONJZNWSA-N 512.694 8.154 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 38683892 MJQIDRDIPJKSSX-LJAQVGFWSA-N 528.605 5.694 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 38684671 JSMNFWVNPBCMEI-GDLZYMKVSA-N 512.606 5.931 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59166398 BDXZMVRJGHXFJT-NZULSMBVSA-N 508.449 6.363 50 10 KKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 100716604 YVAPLEWWMYEIBY-HFJWLAOPSA-N 548.481 6.965 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243949 DXSDJKWBKYBJEY-LPWXCMAHSA-N 566.510 6.696 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246449 QOLUTLJPCKRVOE-NNHPPCHPSA-N 518.038 5.976 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101372197 SLKLUAKHGFUSTF-PMERELPUSA-N 563.050 6.510 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCCC)c(OC)c2)cc1 101372224 FIKMLIHWYGCHKN-HKBQPEDESA-N 554.643 6.656 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384593 FZPSAXVHXXDDAK-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385184 UBHYJOUCFSWMOC-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1F 101388938 NJAXDHQFNMEYDZ-MUUNZHRXSA-N 526.520 5.834 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccccc1Br 101393992 YOAVOEFFUXNGPR-NRFANRHFSA-N 537.822 6.755 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)oc2ccc(Br)cc12 101398121 JWOHTZICYHADPY-PMERELPUSA-N 607.460 7.520 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607290 CZGOQKHAIAVLOR-TWKHWXDSSA-N 577.391 5.425 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1 102666243 AYDOKPPTHJEHAW-ABPPERTMSA-N 566.466 6.235 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 103733499 IZINUIFVIJBAMB-FEZSWGLMSA-N 550.721 7.046 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1c(Cl)cccc1Cl 103734641 FRDAEZWVBUHSDF-IPPBACCNSA-N 516.200 5.193 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1 103880493 IENPZJOMWNVWEN-FDALDRLYSA-N 586.095 7.463 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 105052610 HAZRZZYWQJJHAC-AWQADKOQSA-N 528.785 9.251 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 150429394 OTLPZKOZWMORRZ-ZZJXEYPFSA-N 763.208 6.600 50 10 KKGE N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(OC(F)F)cc3)cc2)cc1 150445235 CUTZNQMGPARVGW-GJHDBBOXSA-N 690.631 6.814 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1 150460101 KOZCLTNVDKRYIU-MUUNZHRXSA-N 663.966 8.886 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 150460135 CRBDVPPWPRKCRK-WJOKGBTCSA-N 631.512 7.807 50 10 KKGE CC(C)(CBr)COc1c(I)cc(I)cc1I 155496181 DKTSUJYIHCZAAI-UHFFFAOYSA-N 620.832 5.300 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776111 KOUOAVIBPSSHAP-LUJVFJMUSA-N 618.715 5.245 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214231832 NBPMTMFURWSJHV-USHMODERSA-N 500.602 6.475 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214260110 PEEIQFSLLXEYFL-FJXFDBCWSA-N 542.639 6.509 50 10 KKGE COCCOc1ccc([C@@H](Br)c2csc(I)c2)cc1Br 229016259 GOWHTMRTHLJINX-CQSZACIVSA-N 532.035 5.625 50 10 KKGE Clc1cc([C@@H](Br)Cc2ccc(Br)cc2)ccc1I 232386328 GJLPYLNPFISWMY-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE CC(C)Oc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 232670186 VKIVUBSYDYBWHH-MRXNPFEDSA-N 510.007 6.325 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Br)c(Br)s1 236128371 BIMVNOAWFFPLML-VIFPVBQESA-N 507.842 6.659 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Cl)ccc2I)cc1Br 236246529 UJYAGVYLZSFFMF-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE CC(/C=C\c1ccccc1)=NNC(=O)COc1c(Br)cc(Br)cc1Br 252603439 FRDZBURSCHXTIR-ZAXGQMBYSA-N 531.042 5.558 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)(C)OCOC)CC[C@@H]12 253387342 CNYVTLHDXDAIRZ-ILXHNLSSSA-N 570.975 10.414 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 253530261 VOXJHJRLIGNTTG-DMDGQDBHSA-N 644.722 9.986 50 10 KKGE biogenic CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 254490444 SNHPXIFFJMSRBB-UHFFFAOYSA-N 522.645 6.671 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@]3(CC[C@]4(OO3)[C@H]3CC[C@@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]3(C)C[C@H](O)[C@]42O)C1 263626151 OPAXDOLIIPLMGB-UBOCFFLOSA-N 506.724 5.578 50 10 KKGE Clc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Br 380172330 BJXKEPFGBYBHPY-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 504065228 HJLUMXKBLFPFLT-BADOXQMKSA-N 936.301 7.359 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(Br)c1 725395935 GHPCRFSNRYGHPS-UHFFFAOYSA-N 554.875 7.991 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1 1083902061 GPTNKPWECGSHNF-RQZCQDPDSA-N 689.118 7.636 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl 1084029336 OZHZZOMCSQWWKT-WJDWOHSUSA-N 536.242 7.824 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084556258 MTQABTZCWKBNTA-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746037 PPNKKQZESGVYAE-UHFFFAOYSA-N 507.373 6.738 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665481 MPDRBMWFDJELIO-UNXAAPQRSA-N 742.806 13.221 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865689571 SUUNSLUJMQMDAU-HXUWFJFHSA-N 518.923 5.619 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690564 VAQTZOUQBBIAAJ-HHHXNRCGSA-N 506.606 6.012 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865691180 LTIBVJYRFYDRTL-RUZDIDTESA-N 502.615 5.620 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865691415 RDFIEJMVKIUHQL-VWLOTQADSA-N 569.475 6.327 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(OC)c1OC 1865693222 SWTJQXDENBWRKW-MHZLTWQESA-N 530.584 5.936 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865695307 NHHSQORNGPDFKW-SANMLTNESA-N 508.578 5.482 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865697665 YWQGSZUHZFCYAM-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703633 XLFFBCKTYSZOKK-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704149 OLVIRVMRFASXPY-SSEXGKCCSA-N 516.576 6.329 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709905 JQHFLHUQGTYJMI-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712052 ORVXSOLJQSTURB-GDLZYMKVSA-N 528.587 6.535 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866774048 YUMISTCUOYWDGA-VMPREFPWSA-N 523.633 6.287 50 10 KKGE Cc1ccc(-c2cc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866826034 MGNAIUUSQGEJJE-HHHXNRCGSA-N 555.729 5.948 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868414114 JKGHQUKPROQWCS-AREMUKBSSA-N 559.526 7.187 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872745062 VAMLMQDUCJFBAK-LDIFMVGESA-N 508.043 6.660 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745717 ZZMNOHLGDWEWDX-LCUIJRPUSA-N 507.571 6.028 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 1872748846 PSDMESJDLMTIJY-ATJXCDBQSA-N 516.579 5.984 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872784459 MSANNDWQZPHMFH-UDWIEESQSA-N 503.967 7.023 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915741033 JIGGRKMIBCKCJM-UHFFFAOYSA-N 563.071 6.014 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1CCOc2ccccc21 1923072844 SEOFXKCOJHSILQ-KWQFWETISA-N 501.465 6.929 50 10 KKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605242 OIYHXANYMQGUGW-WVZVXSGGSA-N 523.832 7.060 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1cc(Br)sc1Br 2003558471 VQLVKCUGJNUCRW-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2026221298 KBKXRYRRPLGEMH-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE CCCC(CBr)(CCC)Cn1c(C)nc(I)c1I 2028584340 UMBZDTGEZMTUNV-UHFFFAOYSA-N 539.037 5.382 50 10 KKGE FC(F)(F)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2037020995 MUFNMFORCJLLDA-BBZZFXJRSA-N 535.843 7.060 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2c(s1)CCOC2 2103246109 GRMUMFNRMKNFBY-SECBINFHSA-N 507.494 6.545 50 10 KKGE FC(F)(F)CCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470081 DRPMMJHJTOOWBG-ZETCQYMHSA-N 552.248 7.749 50 10 KKGE CC1(C)CCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471538 SNPIJBCYOPXCPO-RDDDGLTNSA-N 582.794 7.999 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(I)c(Br)c1 2145956536 KZOUAIYYKHZUBZ-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE Fc1cc(Br)cc(N2CCCN(Cc3ccccc3)CC(F)(F)C2)c1CBr 2170692086 AGLZIPZSUPQTIA-UHFFFAOYSA-N 506.204 5.831 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396522 XVSLFBLEYSRVKU-PPUVQAILSA-N 550.354 7.699 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1F 2231140856 RVKBVMFDNWCCJS-SSDOTTSWSA-N 539.859 7.107 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512714 UUZZSOYAPHBUQG-NSHDSACASA-N 542.707 8.310 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c(C)c1Br 2235602742 FEBIDIUVUUDHJT-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(C)c2C)cc1I 2269543875 NOPFYPAOCOWPJT-ZDUSSCGKSA-N 516.036 6.225 50 10 KKGE Clc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1I 2277959691 VNDQZSLGQKXINN-GFCCVEGCSA-N 579.295 7.148 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccco1 2296705940 AXNQOSFOMWUVFO-UHFFFAOYSA-N 535.003 6.588 50 10 KKGE O=C(CCCCC(=O)NN=CC(Br)=Cc1ccccc1)NN=CC(Br)=Cc1ccccc1 2297451056 KADANKCNZXXABG-UHFFFAOYSA-N 560.290 5.623 50 10 KKGE N#CC(=Cc1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2297624086 CFRLEZAGFXCLCI-UHFFFAOYSA-N 531.660 7.601 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 2313567387 GOYMMPNZWWBENI-UHFFFAOYSA-N 531.837 7.689 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313567828 LTCLJNVJKQRQIU-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568097 RGTHVSHCFWNXOS-UHFFFAOYSA-N 537.403 5.736 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630843 WHTIXEXXCRDPPT-UHFFFAOYSA-N 587.326 7.693 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593583 POHCKRAJAJKVCT-QFIPXVFZSA-N 526.445 5.946 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634044 FPIPVYIGTIVHCA-SSEXGKCCSA-N 508.618 6.610 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2315594620 XJZAKVFTQHMQFA-VIFPVBQESA-N 505.805 5.331 50 10 KKGE COc1cccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 2328835334 SGBJYDOJTIHJME-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)CC2=O)cc1 2331396234 AFYDOOLZQCAOPN-JOCHJYFZSA-N 513.707 7.604 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@@H]1CC2 2334778072 CUTWTHAHPCAKIS-IYCUSSIYSA-N 536.327 7.597 50 10 KKGE Clc1ccc(COc2ccc(Br)cc2CBr)c(I)c1 2340109513 GEQUEMSHAQNZCM-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(Cl)c1Br 2360434085 HVPHEMYYMNXIIE-NSHDSACASA-N 526.252 7.795 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cnn(C)c2I)c1Br 2365231543 NFYDBGWJLPWFJA-JTQLQIEISA-N 578.868 5.351 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(F)cccc1I 2365236961 QUIRYOGPKGMIFO-CYBMUJFWSA-N 536.379 6.731 50 10 KKGE F[C@]12CCC[C@@]1(CBr)CN(Cc1ccc(I)c(Br)c1)C2 2377312247 DFRYTPRIBJDPMS-CABCVRRESA-N 517.018 5.143 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 29492337 IPWGILXOSUYIRX-KKPFIQQYSA-N 513.557 6.496 50 10 KKGE O=C(NCCCCNc1c2ccccc2nc2ccccc12)c1ccc(N(CCCl)CCCl)cc1 38148130 AFIZVRBJFXIKHE-UHFFFAOYSA-N 509.481 6.294 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 38681324 QGYPPFOJUCDMHU-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCC(=O)Nc1ccccc1 39794906 IZQGSLQOUDTWIQ-XQNSMLJCSA-N 517.610 7.054 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)ccc1Cl 40813497 BIBBORRMKSCVPR-OVVQPSECSA-N 516.337 5.801 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc1Cl 40822986 BMVPGDUDYRSOHW-MTDXEUNCSA-N 515.795 5.430 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2ccc(I)o2)c(Br)c1 97961062 SSWQCMRWSYUVTB-KIBLKLHPSA-N 640.154 6.652 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243882 CJBCLKCMISVRKW-PZJRUVIDSA-N 515.610 5.528 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101340649 BWOHDKCGGZEWGM-ZMOGYAJESA-N 516.956 5.859 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367519 SYPSGHSWZRUQCC-UUWRZZSWSA-N 576.649 6.600 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccccc1Br 101370171 PRQAIYHKRSMBIW-OAQYLSRUSA-N 526.184 5.649 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OCC 101374070 ZIFJJSXHJVPVQS-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374109 WDPVVFYDBJSKIV-KCEHZKJRSA-N 570.686 6.979 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 101374658 GUGQZGHAOYAVRC-YTTGMZPUSA-N 548.639 7.245 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 101376077 ICPACGAVOXYJHX-NDEPHWFRSA-N 529.549 5.222 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379159 CCRIZTGAGXNNEC-PMERELPUSA-N 583.984 6.030 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379831 JCYGCUCPFOQIFQ-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(C)cc1 101387705 KEQDCUOKFPSKQN-UMSFTDKQSA-N 592.648 6.184 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388412 JQFZWCZCWLTKTC-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101389053 AGDLDGIWCJJDLD-UUWRZZSWSA-N 586.619 7.394 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389586 YJOZEBRYKRSXDK-UUWRZZSWSA-N 594.639 6.623 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101394164 UNZRYPPYUZZEPV-SANMLTNESA-N 561.059 7.098 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 101796439 QVZMKYSPKPUEHO-CPNJWEJPSA-N 543.458 5.563 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Br)cc1OC(C)C 102348134 QDAKNNXWQJIEOK-AUWJEWJLSA-N 531.756 6.853 50 10 KKGE CC1(C)C=C(C(Br)Br)c2cc(Br)ccc2N1Cc1ccccc1 105418768 ZYTFDYPZUSUZKD-UHFFFAOYSA-N 500.072 6.747 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1F 108156020 ILDNFYPFDZKBEQ-YVLHZVERSA-N 530.191 6.475 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 164719709 FNCBFDWZVSGNAH-ZDLGFXPLSA-N 652.124 7.249 50 10 KKGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C(=O)NCCSSCCC(=O)O)c(F)c1F 195813651 FJKANRXSLHOXFW-PEGDCTHBSA-N 979.159 5.621 50 10 KKGE in-vitro CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1C 214296256 YSHHHXNHCWZJLV-DIBXZPPDSA-N 538.648 5.655 50 10 KKGE O=C(c1coc2ccccc12)[C@H](N=Nc1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 250621681 PHIWJQOQUDDZBS-UUWRZZSWSA-N 570.565 7.628 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 252617595 KWSCMEPWIIIRPL-RRLPJUHASA-N 565.432 6.380 50 10 KKGE CCCCCC/C(C=NNC(=O)CCCCCCCCC(=O)NN=C/C(=C/c1ccccc1)CCCCCC)=C\c1ccccc1 254385077 FOVDUZMLIRPKAK-KYLXHSBFSA-N 626.930 10.419 50 10 KKGE CN(c1ccccc1)c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 254500801 KWPMNPXUIWSASY-UHFFFAOYSA-N 571.337 6.643 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1cccc(Br)c1 254571448 WZQWOTGDWZPWOZ-UHFFFAOYSA-N 596.659 5.622 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254590210 WVGALTTUGQSRHU-UHFFFAOYSA-N 536.757 8.626 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019872 JRRBQCDTNGTMBI-NKYYJVPXSA-N 986.114 11.219 50 10 KKGE CCOC(=O)n1nc(NC(=O)c2cccc(O[C@@H](Cl)N3Cc4c(NC(=O)c5ccccn5)nn(C(=O)OCC)c4C3(C)C)n2)c2c1C(C)(C)N(C(=O)Cl)C2 299803915 KRGPMBJZELIWHN-PMERELPUSA-N 783.630 5.445 50 10 KKGE CCCSc1nc(Cl)c([N+](=O)[O-])c(=N[C@@H]2C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]32)[nH]1 504666076 WBFXPSFPBVVGNJ-ATLSCFEFSA-N 563.193 5.074 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@](O)(c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 605699583 GMAAWBBEKMFGHB-STWUNAAISA-N 709.190 8.687 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616588974 VMFYLWGANHVWAU-LDEQARHDSA-N 958.186 11.045 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616693712 WEPZBRLEAOYMDS-VWLOTQADSA-N 511.783 6.749 50 10 KKGE Clc1cccc(COc2c(Br)cc(Br)cc2CBr)c1Br 719383716 LUJJJMIKENSJTJ-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE COc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Br)cc1 725406925 BCTJLFRSKQOAMN-UHFFFAOYSA-N 545.433 5.423 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 725412823 RLEAJTPUTRRFEM-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C)cc1 1083895094 RKAHNHLYOMCSPT-YBFXNURJSA-N 515.824 7.479 50 10 KKGE C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1083978723 UHMSGFWQSYZFGB-NTEUORMPSA-N 541.172 5.554 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1084033328 FRAXFUFWYPJMAF-WOJGMQOQSA-N 501.797 7.170 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084081737 PZTKATIRTRDMRS-UHFFFAOYSA-N 801.974 9.465 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084282515 KKRJUDXQOXZIMD-GIJQJNRQSA-N 582.119 8.560 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084385119 MPDMCIXHQKENPX-OVCLIPMQSA-N 626.088 7.551 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1 1084445550 ZKYMUWJVJGJWFV-XDHOZWIPSA-N 621.156 8.372 50 10 KKGE COc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084462065 IEYSZAJWBGLONQ-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cccc(OC(F)(F)F)c2)[C@@H](CI)C1 1614689733 FCLXEBXGQVHNDY-FUHWJXTLSA-N 505.274 5.372 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@@]4(C)CBr)CC[C@@]1(C)C(=O)[C@H]2Br 1772721799 SNRXUXZNCDKRMT-ZHNWVUCASA-N 503.275 5.266 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745666 GOCYAAZJVLTNHI-UHFFFAOYSA-N 526.203 6.891 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682027 DFSLRXZRRQSAGA-XMMPIXPASA-N 514.969 5.193 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865686838 CFBFRJZQNPBRSA-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865695292 NFSANPSPMRCAKX-SSEXGKCCSA-N 520.633 5.971 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1O 1865695846 IEAOWEGYADYQFH-RUZDIDTESA-N 565.427 6.387 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697542 VZXCETAEFTXYRJ-DEOSSOPVSA-N 510.997 5.690 50 10 KKGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703112 NFTHHTQAZVYLCB-HSZRJFAPSA-N 513.425 5.875 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711138 QKSSFAHKYVLDQT-JOCHJYFZSA-N 524.905 6.628 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713231 UPIANXNTGZDHSE-QFIPXVFZSA-N 534.359 5.981 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866583411 QPWMMWOQCUYULV-SANMLTNESA-N 558.685 5.218 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)cc1 1867180782 WSLLYTGQLHKLDD-MHZLTWQESA-N 510.619 5.824 50 10 KKGE CCC[C@H](NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207547 JJSXRUKXTIFENY-IRLDBZIGSA-N 532.504 6.084 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868456252 MBBDGYQFNDGABD-SANMLTNESA-N 526.616 6.158 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CCS2)cc1 1868566393 ZSMPJQMNFRLZOU-DEOSSOPVSA-N 512.664 6.158 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745528 RJGPVXANPGTWPX-IRJMIRDBSA-N 521.620 5.038 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872755088 YASVPSVBIJKRJC-XDOYNYLZSA-N 518.551 5.213 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 1873499286 OBWNVYRLKZJGDJ-LDWYRGJHSA-N 502.011 5.025 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1876919663 WUYBYGCXXNDLHL-SECBINFHSA-N 554.323 7.182 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)s1 1922886926 YPUSUGMFZQFDHR-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1Cl 1924569949 CDMDUKKMXBIHCU-GSVOUGTGSA-N 562.734 6.560 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@H]3CO2)c1Br 1924571826 UUPNATGPXXFZCZ-VUBPFVNUSA-N 509.883 5.897 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595442 YZXWRUJODXQNQB-VIFPVBQESA-N 582.775 7.591 50 10 KKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](CCCC[C@H]2CCSS2)C1 1952428020 VGOSUAQZFYZQCA-NJYVYQBISA-N 511.709 6.815 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1sccc1I 2029250760 CCGHUIKAJPSJSI-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1ccc(Br)cc1Br 2031422157 VQJPXQOGCWHCIM-UHFFFAOYSA-N 505.914 6.576 50 10 KKGE CC[C@@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034340430 XZCIRBOLRFLTTC-SSDOTTSWSA-N 549.830 5.243 50 10 KKGE CCN(CC)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 2070736904 LQNXUCJZFHOSCM-JMFZDZGDSA-N 510.707 5.739 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(I)ccc2Br)c1C 2082883560 GMZIWANRKMDTHI-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2ccc(Br)cc2Br)c1 2083335784 VKUBBRRNIAQRTQ-CYBMUJFWSA-N 562.719 7.221 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CC(C)(C)[C@@H]1OCc1ccccc1 2100210624 NFSUFLATAAYHJV-YLJYHZDGSA-N 501.690 6.818 50 10 KKGE C[C@@H]1C[C@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469663 WIBKCFSUEKEDQR-BWZBUEFSSA-N 584.766 6.988 50 10 KKGE CCc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2141471884 XJGVQJORVOMBHX-CYBMUJFWSA-N 596.802 7.845 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2c(Br)cccc2Br)cc1Cl 2150495294 WKPZUAOTKVMARJ-CQSZACIVSA-N 503.843 7.011 50 10 KKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179832422 KKYNGJHWKDRNPY-UHFFFAOYSA-N 523.262 5.099 50 10 KKGE COCc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397841 NJALSFXYGSCONG-ZDUSSCGKSA-N 612.801 7.429 50 10 KKGE Cl[C@@H](Cc1cccc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2206410660 ZXDDJGZTTOLQME-NSHDSACASA-N 611.191 8.022 50 10 KKGE Cc1cc(C)c([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2207271664 JSCGUKOVMPZSOU-INIZCTEOSA-N 528.453 7.070 50 10 KKGE C[C@@H]1CC[C@@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@H](Br)C1 2230061828 MNOFRHNMSVPPHE-IWSPIJDZSA-N 537.981 7.513 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)c(Cl)c1Cl 2232530763 VBOZWWDZSCSXLZ-LLVKDONJSA-N 587.158 8.419 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1sc(Br)cc1Br 2247988926 AYCIMZSAOHCUMQ-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2258089945 HIDBCRTZXVUSMF-LLVKDONJSA-N 521.869 6.967 50 10 KKGE COc1c([C@@H](Br)c2scc(Br)c2Br)cc(Br)c(C)c1C 2284587909 NSHZVBDYDQTMEE-LLVKDONJSA-N 547.932 7.145 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2294172024 UXJWSCODLYHFNJ-UHFFFAOYSA-N 540.345 6.020 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2296038204 ONQDQCVABYAXLX-SANMLTNESA-N 516.066 6.748 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 2296506970 NQZHCRYNJXAXDK-HSZRJFAPSA-N 523.536 5.779 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc(O)c2ccccc2n1 2296565679 FWEFCBNJPBEXLW-UHFFFAOYSA-N 548.628 5.037 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 2296730302 STAQWYPHOIHCHM-DEOSSOPVSA-N 542.614 7.042 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3ccccc3oc2=O)cs1 2297579102 BEEWBRWZMQMPQG-UHFFFAOYSA-N 557.569 5.363 50 10 KKGE CC1(C)COC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2299622660 WBZAEBKBTMZDEG-VDTYLAMSSA-N 511.899 6.144 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C(C)=C(C#N)C2=O)cc1 2314616886 MDIYAEODHJSVQN-UHFFFAOYSA-N 586.692 6.684 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314618327 LKHKFTHOIMQONM-SANMLTNESA-N 608.673 7.611 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1C 2331259130 OLCLJAZQWGIPNN-UHFFFAOYSA-N 521.598 6.494 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1scc(Br)c1Cl 2335357514 BYYMUKASVISQST-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2362241413 XAQZUIUQABLDSP-JTQLQIEISA-N 554.277 6.467 50 10 KKGE CCC1CCC(CI)(OCc2cc(Br)cc(Br)c2)CC1 2362248586 SFOOHJNJESSVLL-UHFFFAOYSA-N 516.055 6.502 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2363272859 ILESYYPCHDMXPQ-AWEZNQCLSA-N 505.472 7.502 50 10 KKGE COc1ccc(C[C@H](Br)c2cc(Br)ccc2Br)c(Br)c1 2364260514 IGBPUNWIHUVRJP-HNNXBMFYSA-N 527.876 6.661 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C(=O)OC)c1C 2397946 PGIAKINNFXUXAG-GXDHUFHOSA-N 532.441 5.882 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14038759 QQUZOOWTLRLNEO-GOSISDBHSA-N 511.416 5.233 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14648381 HIHKPRQCNHFEBQ-UHFFFAOYSA-N 525.443 6.062 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)oc2c1C 38688295 WIVTYUNXQKIVIW-XMMPIXPASA-N 519.384 7.102 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 40816360 REFYRZSEBHMING-VUTHCHCSSA-N 516.381 5.391 50 10 KKGE COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48572677 GJUWDWJSBKDJCV-RPPGKUMJSA-N 508.199 6.107 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 58894073 OYPXVALFCHVXRK-POBUXNOSSA-N 514.981 5.429 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c(O)c1 100061893 UAPYJUQOPXCLHU-LGJNPRDNSA-N 549.263 5.446 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243937 FEDFXTFTRDBDQJ-GLGWFMBRSA-N 525.674 6.006 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101307052 JBTYHPVSKKVSPN-XLYKILBFSA-N 536.628 6.394 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101337124 OCQAUOQRZADHNS-RELXFMCYSA-N 570.649 5.890 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 101339628 QNOQKGJZHJNSRN-AFUMVMLFSA-N 574.593 5.078 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Cl 101339727 LAEVRFSDFBMBDS-CVKSISIWSA-N 607.066 6.503 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101375509 WXFPMNWMMHWQPP-UUWRZZSWSA-N 598.740 7.544 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 101377231 GCIZRZYYOKPAMD-AREMUKBSSA-N 533.968 6.255 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379190 FBMGOFOVDWZEPL-XIFFEERXSA-N 595.095 7.925 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380164 ZIUCUNISKFBWIS-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384677 GHWDXIUDFQFFHF-OTVRWNPNSA-N 583.471 7.718 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385727 QHBQDTLKXHEAOD-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1Cl 101391336 FKFQBBMFJZOUDB-DEOSSOPVSA-N 588.285 7.372 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101395248 HYYNHNCQDJHZSB-AREMUKBSSA-N 569.441 6.627 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101397201 NHLQQBUYTSXZCX-HKBQPEDESA-N 623.577 8.959 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc(C)c1Cl 101599814 USIOKLRWIOWAGE-TURZUDJPSA-N 529.818 6.310 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 101615149 DWFQRBRIMRRRTB-VWJSQJICSA-N 536.444 6.229 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc(Br)c1OCc1ccccc1 101693422 URNNJPBPIUOGOV-XODNFHPESA-N 576.285 5.945 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 101906020 HOBSTSUQCWWBPV-APSNUPSMSA-N 566.666 7.543 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2c(F)cccc2Cl)ccc2ccccc12 102007079 HNTPFOIKRQDRDH-AMVVHIIESA-N 536.053 7.063 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1 102666197 HCSKEFAIMBARNW-YFYMGYQCSA-N 547.636 6.081 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778967 YGLJRVSNYUBNFE-XZYVEEPOSA-N 559.103 5.126 50 10 KKGE Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1Cl 103728962 TUPGUJSFXUMCSM-UVHMKAGCSA-N 529.765 5.468 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccccc3F)cc2)c2ccc(C)cc2)cc1Br 103749432 MLHBCUYPWFYHTL-KCSSXMTESA-N 610.505 6.065 50 10 KKGE N#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103878056 XFVISEQDFBXBFG-NUGSKGIGSA-N 511.557 5.277 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2c(=O)[nH]1 109562095 RSNBQDLAVVDCJG-NKFKGCMQSA-N 562.655 5.015 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(C)cc3)c2)cc1 110554553 HHPIXRNOQQAOHJ-VFCFBJKWSA-N 554.650 7.371 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 150429532 BKGRUODFASUIHB-ABZYITTCSA-N 637.312 5.995 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 150440983 HCTMQKFRPXDQQE-RFCNWNEUSA-N 752.821 6.491 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 150485791 GKFWQNBHANUFQD-SSFVIUPYSA-N 683.827 7.116 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1C 206396880 WPWJFFIVIFJCRB-QTJFRYJHSA-N 588.660 6.433 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCC)c(=O)oc3c2)cc1OC 206541008 QJGHGCXZXVMZKV-STZFKDTASA-N 518.566 5.023 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214335122 KSKKEWQJQUKBLB-BGQFGOBASA-N 542.639 6.682 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214392585 TTZOINLGXLLGNE-DXJNIWACSA-N 572.665 6.438 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc3c(c2)OCCO3)c1 232484764 KYRFLDNHHQUMHQ-HNNXBMFYSA-N 509.963 5.309 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)cc1Br 235821459 ZRVDUKQYBBEIKZ-NSHDSACASA-N 582.775 7.591 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(Br)cc3)cc2)cc1 252595573 CCKDBDFUMZFWIX-SSEXGKCCSA-N 583.486 6.586 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 253576592 WAHIJKGSUVRMEV-MULCNKJOSA-N 649.930 9.529 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254523306 YARVVYSNQGBKMR-UHFFFAOYSA-N 585.774 7.052 50 10 KKGE CCCCCCCCOc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 254567350 SEWMERHLNCAQTG-UHFFFAOYSA-N 617.584 8.450 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(F)cc4)S(=O)(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 254903293 UFQJHSFKKTWZMG-WQDXIGEJSA-N 652.748 6.175 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)[C@]56CC[C@](C)([C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@@H]2Br 256019953 NVZRELAZJSDKMQ-OVYULKEKSA-N 706.541 7.576 50 10 KKGE ClCc1cccc(Oc2c(I)cc(Cl)cc2I)n1 310608893 ABXTXCHBXRBLBG-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1I 721704051 HHVVJKITCHWRFA-CYBMUJFWSA-N 558.954 5.454 50 10 KKGE COc1ccc2c(c1)CC[C@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237684 LSVALSMVCJWVEA-CYFREDJKSA-N 537.003 5.762 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1Cl 725441797 PCBASLYCESKLQS-UHFFFAOYSA-N 574.556 6.483 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1083891144 LETILNIMPUCNFR-UHFFFAOYSA-N 577.062 6.106 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 1084149899 JLTRTSNEQIYSPC-UHFFFAOYSA-N 629.060 6.347 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 1084328767 SBELBPVDUWISFT-NDENLUEZSA-N 532.463 6.694 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1 1084419592 HVLOYYHFMWTPAO-UHFFFAOYSA-N 518.194 6.845 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084533715 JAJYACPCFSIEDX-KGENOOAVSA-N 510.396 5.967 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc(F)c3)cc2)cc1 1084573607 FPQZMHPJTLWYFV-UHFFFAOYSA-N 503.577 6.935 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1084611799 QIWOFSVRMZHVIR-UHFFFAOYSA-N 565.777 6.200 50 10 KKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 1084619214 CVDMQDGQIALPIU-UHFFFAOYSA-N 555.259 7.577 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 1084621067 PFCUSDPCZMYGFY-RUZDIDTESA-N 511.018 5.680 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@H]2Br 1772721804 YPMAEAXWRRXLMA-HTQFWGHXSA-N 633.057 6.793 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc(C)c1Cl 1772748855 GRXDOLFTGSCNJT-UHFFFAOYSA-N 542.835 6.067 50 10 KKGE Cc1ccnc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772749035 GNOGFCKFSQHQLD-UHFFFAOYSA-N 501.370 5.086 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865686730 ZVEKMQVWWLPRGU-IBGZPJMESA-N 507.343 6.599 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OCC 1865686988 GYOFRJDPUCJXGE-NRFANRHFSA-N 532.950 6.340 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865692081 IUGSPMABRMQOGL-QFIPXVFZSA-N 537.458 6.128 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865694848 DBVHTGSICKBACM-RUZDIDTESA-N 547.442 6.531 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695540 POQBHGOZBVJUHO-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865696818 LFROEIUQOJLOGT-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701791 FLRXABHQSJEDJN-QHCPKHFHSA-N 565.830 6.380 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1OCc1cccc(C)c1 1865705200 OLPMUEQDJZMLMG-PMERELPUSA-N 554.650 6.962 50 10 KKGE CC(C)(C)c1nc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866868775 YKFIUJRJVIKITF-QFIPXVFZSA-N 515.614 5.324 50 10 KKGE CCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034531 RVTCYCKLWWRNIG-LEWJYISDSA-N 542.459 5.159 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1868253591 MZONDQQVMOFUFM-NRFANRHFSA-N 526.460 5.323 50 10 KKGE CC1(C)COC[C@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868365697 UCAAMWVQLCBGAF-VWLOTQADSA-N 507.663 6.687 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 1872754228 JAPWMAIICARSEW-WTAXECHQSA-N 500.363 5.603 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OC(=O)c1ccccc1 1872794040 HGMUMCHJPZIJON-UDWIEESQSA-N 517.006 7.073 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCCCc1ccccc1 1872794266 RTLKTPJUKOUGHX-NLRVBDNBSA-N 522.714 8.500 50 10 KKGE O=C(NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C(=O)O)c(P(c2ccccc2)c2ccccc2)c1 1887484569 LOSOHTDUIPHPHT-UHFFFAOYSA-O 652.691 6.257 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915259901 QZBGGFYKCNAQHG-GOSISDBHSA-N 507.188 6.530 50 10 KKGE Clc1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923055018 NHFVKJWZSCXTPP-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924604625 FQLXNILJUNRJEM-BKPPORCPSA-N 509.927 7.154 50 10 KKGE CC1(C)CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2039359441 KGRYFBXHZUGPAE-SECBINFHSA-N 523.954 7.688 50 10 KKGE CN1C(=CC=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C(C)(C)c2ccccc21 2042446459 BCGDZCQUOIPTPP-UHFFFAOYSA-N 500.602 6.027 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc3sccc3s2)c1 2084759041 DXNYFZWBSDQTGR-CYBMUJFWSA-N 514.045 6.814 50 10 KKGE CCC(C)(CC)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500780 RDIUOQPFCBEWSU-LBPRGKRZSA-N 570.783 7.999 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)CC1CCCCC1 2123199756 XFVACLQMOUSEMW-UHFFFAOYSA-N 521.340 6.177 50 10 KKGE CC[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141473649 RQVFBXOURCLQEU-XIDCRBKBSA-N 540.315 6.974 50 10 KKGE C[C@@H]1OC2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141475530 OLIGGDKHOSFMRF-AQKUBWQISA-N 582.750 6.740 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CCCCC2)CO1 2166260561 JYUIWYZSWHYCGG-GZMMTYOYSA-N 507.513 7.055 50 10 KKGE CN(C(=O)c1cc(Br)ccc1I)[C@@H]1CCCCC[C@H]1Br 2172546126 DLCRRTIGMWVDOJ-TZMCWYRMSA-N 515.027 5.222 50 10 KKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(I)c(Br)c1 2185101796 BRGUHKDHXZCHIS-GWCFXTLKSA-N 515.027 5.078 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 2203004949 XENXRUZGTYXFMA-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE CC[C@H](CC(F)(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395890 QUXWFWIPIPGSBC-GCXOYZPQSA-N 566.275 7.995 50 10 KKGE COc1cc(F)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2207260183 DWIODDOYAADENO-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE O=C(c1ccc(Br)cc1I)N1CCC[C@@H](CCBr)CC1 2207264940 LFOYSNBXHHQMBW-NSHDSACASA-N 515.027 5.081 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)nn(C)c1Br 2232512631 ODCHGDAHRZMHSX-QMMMGPOBSA-N 526.281 6.698 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243590923 MBYZCTIHCKERLM-CYBMUJFWSA-N 506.609 5.761 50 10 KKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2268256486 ZREJJSSGGHYEDO-MRVPVSSYSA-N 554.323 7.182 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)cc(Br)c2)c1 2277959874 WRJXQPCRRBXSTC-AWEZNQCLSA-N 576.746 7.415 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)o2)cc1 2293763549 GFRJDSVOUIJIDA-UHFFFAOYSA-N 569.639 6.087 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc2ccccc12 2294146939 GULTXCHHRCDJMK-UHFFFAOYSA-N 537.830 7.933 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=C(C)c2cccc([N+](=O)[O-])c2)cc1 2295116810 FWDAISMXBRAQMS-UHFFFAOYSA-N 534.016 5.406 50 10 KKGE COc1cccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 2297414591 RGZNKSGYMAZWFW-UHFFFAOYSA-N 548.621 5.060 50 10 KKGE O=C1C(=Cc2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCCCC3)o2)SC(=S)N1Cc1ccccc1 2297497994 WKAHJMMQVBFERU-UHFFFAOYSA-N 646.798 6.686 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313570689 DCTXFUFKVFHRAQ-UHFFFAOYSA-N 601.111 8.196 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1 2313571130 NXCKKAIVOVUKFL-UHFFFAOYSA-N 507.417 7.245 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571247 QQKIQNSFOXCSQB-UHFFFAOYSA-N 673.088 7.393 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2OC)cc1 2313738853 TYUBVDKYQJGVSG-UHFFFAOYSA-N 507.886 5.030 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccc(Cl)cc1Cl 2313738907 XXLLUFFZVPAUHY-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314439816 KFTWZCFHGOPVOI-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Clc1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314448080 DWEXDANLFVUZAF-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(F)cc2)cs1 2314489483 QITRCEXAVVDTNT-UHFFFAOYSA-N 507.528 5.396 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2314502889 MZBLCPAYCBRPSN-KRWDZBQOSA-N 546.122 7.294 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592426 SYZGROJFFMZZNB-VWLOTQADSA-N 501.583 5.598 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593267 KMNQPRVFMRTOFZ-AREMUKBSSA-N 550.511 6.859 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593408 MKVGGJFSGMEGJL-QHCPKHFHSA-N 559.997 6.311 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)OCc2ccccc2)c1C 2329703207 YBUJWTFCMACODO-UHFFFAOYSA-N 534.590 5.153 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1OCCC 2331293363 AXIYKYMZOWIALX-UHFFFAOYSA-N 519.450 7.566 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 2331351171 XEPBFWYFUDWLHG-UHFFFAOYSA-N 518.551 5.113 50 10 KKGE FC1(F)CC[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2335365506 POHYPLPNGRXRBZ-XRGYYRRGSA-N 546.269 7.452 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1 1916260 UCAPFTYKOFCQGI-LGJNPRDNSA-N 500.780 5.192 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 8426886 FQPBEVCNGVGROY-BCEWYCLDSA-N 548.776 6.100 50 10 KKGE O=C(COc1cccc2ccccc12)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665574 DZXUBKFISCTSQU-UHFFFAOYSA-N 519.395 5.064 50 10 KKGE CCN(CC)c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(OCc2ccc(Cl)cc2Cl)c1 29492894 XCKMMESSXWCCMF-HMAPJEAMSA-N 557.485 7.122 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 38686762 UMJHMNCIYBEJFO-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)c(C)c2cc1C 38688330 KOJUYDCOPSXXEW-VWLOTQADSA-N 519.384 7.102 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822958 QOHGKFCTPGWWTA-XHLNEMQHSA-N 518.367 5.588 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101314698 JVJFFEWBBILVFF-QHCPKHFHSA-N 583.880 7.864 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C2=O)cc1 101340217 BFXRXNPSNZHYDS-OGLMXYFKSA-N 546.602 5.830 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101340571 TWSPETNVFCKXEZ-OCSSWDANSA-N 560.629 6.567 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362613 RESMCUUHOHQDMX-APYJYERMSA-N 546.623 6.419 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101367879 VSXRZFHEXZBCPX-MGBGTMOVSA-N 560.650 6.830 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)ccc1Cl 101369388 LEOOZLBHSXFMSP-SSEXGKCCSA-N 538.987 6.643 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376437 CCCMLLJVVDUFFW-JOCHJYFZSA-N 574.502 6.154 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380111 XCGOCXMIMLCPGN-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381262 DMNRHLAKYLYBDK-JGCGQSQUSA-N 615.513 8.045 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384541 SMCPYPCFGCTQIA-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101394634 OPSSORDAMUMXFQ-QHCPKHFHSA-N 551.451 7.434 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399872 IPVPVRZWHQIXMS-JGCGQSQUSA-N 608.597 7.435 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 101727555 LJLZSIWTEICMIJ-FJEPWZHXSA-N 552.121 6.992 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 102780475 UVQPJLAXEDGLPE-PDDLMNHVSA-N 557.131 6.043 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 102836176 LHSANQQHAILEBC-JCMHNJIXSA-N 529.427 6.634 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2s1 102989943 UDLWYTKVUXEMEG-OQKWZONESA-N 537.670 5.998 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccccc1C 103569190 NKBZYAUYKRUSPT-KCSSXMTESA-N 606.542 6.742 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929206 AEHSHEMZXPICCJ-VTNSRFBWSA-N 556.623 5.433 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128857539 LXLLLBAEHQEMGU-SNVBAGLBSA-N 554.323 7.182 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433222 PELHBQOMQLOGDZ-XIFFEERXSA-N 631.512 7.482 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 150460217 HYHZXOQZCFSREE-NQWDTQFISA-N 697.213 6.297 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2cc(Br)ccc12 150481910 GSCJMXZJARISPN-PMERELPUSA-N 641.905 8.174 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 150488748 JXGZGUXNARNUQC-YBFXNURJSA-N 637.301 7.520 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1OC 207200484 XJBNJNJTPNHDFL-QJOMJCCJSA-N 519.667 7.031 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214234866 HVNLDWRNIOJDNY-GTWSWNCMSA-N 574.656 7.040 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 214285387 LIXNPZWQCMFXES-ITYLOYPMSA-N 526.662 5.670 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214347368 CPQVRWIRUPHHLY-BRPDVVIDSA-N 542.639 6.081 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=C(F)F)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]12 245189583 USJKYXKINVXLRD-IBDRAGJQSA-N 580.876 10.691 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 252613286 JANANCSLNHAGFW-MNRBVBFMSA-N 518.404 5.409 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc(Cl)c1O 254509749 LYBGNJZBMHYNJJ-KRWDZBQOSA-N 676.968 5.791 50 10 KKGE O=C(NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 254823933 DNPLOBJLOZDIHE-IBGZPJMESA-N 564.466 5.263 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 394034516 NHZOBCHMWFOWMY-MRXNPFEDSA-N 506.181 7.593 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 725399415 JBDLJVZLWOAUNO-XMMPIXPASA-N 590.312 6.153 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)Cc2ccccc2)cc1 725417051 CRUVPSJKLSIZOF-UHFFFAOYSA-N 582.648 5.763 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1Br)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725444476 KRKBABGFPMTIQG-UQARTHHBSA-N 546.534 7.049 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c1 1084210846 VVFPDLHOBNJZJN-UHFFFAOYSA-N 652.567 5.943 50 10 KKGE CO[C@@H]1C=C2[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O1)[C@@H](OC(=O)c1ccccc1)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@H]2O 1307258402 SKCXTWWSSAUDLN-HRTJLHCRSA-N 715.048 7.025 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718965 YMEQWZSXAKLTDG-UEVSDXPZSA-N 556.855 5.233 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743835 JYBTXEBPMVDNBN-UHFFFAOYSA-N 506.400 5.414 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748681 SPBARGARLWCJHU-UHFFFAOYSA-N 505.496 6.483 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749405 KSXBCGLGWGNYHY-UHFFFAOYSA-N 530.364 5.111 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)cc5)c(C)c43)coc2c1C 1772751387 AQSGMPYVTBKAEV-UHFFFAOYSA-N 503.986 6.256 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCCc1ccccc1 1865688181 MMURQKMJAQUSFR-YTTGMZPUSA-N 568.677 6.755 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865689417 RQQDFXWGFWHBNB-OAHLLOKOSA-N 541.711 5.239 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865695057 ILVMYIKEZDHFBN-MHZLTWQESA-N 500.643 5.988 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865703940 JDYZMTGVMJJSMC-HSZRJFAPSA-N 504.512 6.262 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704351 UCIIGRRQCNZFBD-QHCPKHFHSA-N 530.943 5.316 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704523 XXLPGUCYMJIGIU-SANMLTNESA-N 549.433 6.737 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706655 BXJWPKWXVMBLSC-LJAQVGFWSA-N 538.095 6.782 50 10 KKGE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867139659 DSPURJNAYKGDJA-NOZRDPDXSA-N 522.070 6.367 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745027 UAZCTWLTWKHPIL-LGMDPLHJSA-N 501.307 5.114 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872749076 AHFDGLIKSQOZSI-YXRUPLKASA-N 512.418 6.620 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)n2)cc1 1872780542 CBEJISCRTMOTDA-XDHOZWIPSA-N 523.441 7.777 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCCN1CCOCC1 1872792955 ZPOPLDWSRUSUJY-PXLXIMEGSA-N 505.640 5.219 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1916355112 PYFADUBZDLQZOO-HNNXBMFYSA-N 509.160 5.520 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2csc(I)c2)s1 1922920135 CXLVZCIKNFNSSP-MRVPVSSYSA-N 542.881 6.424 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cccc(Br)c1Br 1924063615 TUQPZKGWNOFYQQ-AMIZOPFISA-N 512.865 6.609 50 10 KKGE Clc1cccc(Cl)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924594632 PBMAXRBORFKHGR-SECBINFHSA-N 514.291 7.671 50 10 KKGE Fc1cccc(Cl)c1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924601384 XTJIDCZQGUCJPS-LURJTMIESA-N 556.314 7.507 50 10 KKGE C[C@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995047092 DQTUQUFOINPMIQ-DQSPEZDDSA-N 540.713 6.829 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1scc(Br)c1Br 2024295743 UMACAQDFHKWGAO-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 2080652606 KASDHRXLYQOAKZ-LOUDTDLLSA-N 810.466 5.719 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c1C 2082884868 NNFANLSCFYHUCI-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCC[C@@H]2C3)c1Br 2085495496 QWCJYFFINIKQHY-GBRJYTSESA-N 566.751 7.363 50 10 KKGE CC(F)(F)CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495501 QWUBJNJAEZTZIX-YFKPBYRVSA-N 578.709 7.608 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H]3C[C@@H]3C2)c1Br 2085496972 YWILNRBTTVDUDU-UWVKOVSDSA-N 566.751 7.219 50 10 KKGE CCc1cc(C)sc1[C@@H](Br)c1ccc(Br)cc1I 2086149936 UOTGAAUXENDFPK-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2csc(Br)c2Br)c1Br 2093942172 MBBJJTZQSGWXMI-YFKPBYRVSA-N 563.878 7.600 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cnn(C)c2Br)c1Br 2136384763 TXHIQSJMCMYUSF-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470097 DUXFHXMYVAPXRE-CMPLNLGQSA-N 592.736 7.649 50 10 KKGE Brc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141471472 RTFBHJKECXVJBR-LLVKDONJSA-N 641.615 7.983 50 10 KKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1cc(Br)ccc1I 2146720000 QMCPOWOZIDJPHO-IINYFYTJSA-N 515.027 5.127 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206408743 LSBYEPYNMRWCBU-CYBMUJFWSA-N 676.060 8.590 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)cc2I)c1Br 2207263510 YNZHYXUIFLMACD-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc(C)c1Br 2227422329 SBXJKSUXRGFBHV-NSHDSACASA-N 552.351 7.743 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CCCOCCOCc1ccccc1 2234076991 YDKKFAPBCGYINS-UHFFFAOYSA-N 516.661 5.924 50 10 KKGE Cc1cccc([C@H](Br)c2ccc3c(c2Br)CCO3)c1I 2238083283 XBRWAVKQXXKDBR-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc(I)cc2c1OCC2 2264606600 CDWFZGGNLXVUEE-SNVBAGLBSA-N 534.438 6.188 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)s1 2283581725 IMBKBPIIFANNEI-CYBMUJFWSA-N 506.030 6.633 50 10 KKGE Cc1ccc2nc(C(C#N)=Cc3cc(I)cc(I)c3OCc3ccccc3)[nH]c2c1 2296648355 ATMSZSFZTWRDOD-UHFFFAOYSA-N 617.228 6.724 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)CC2=Cc2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 2297325005 SLCXWSRZDIKMAU-HHHXNRCGSA-N 589.331 6.873 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(Br)cc2I)s1 2300949408 LPAQQFRZAOUZSM-SNVBAGLBSA-N 618.297 6.858 50 10 KKGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1 2313521288 CVLUPRLCPPGMIC-UHFFFAOYSA-N 511.743 5.392 50 10 KKGE CC[C@@H](C)Oc1c(I)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 2313555907 DFTDDDQSOZIYCL-MRXNPFEDSA-N 543.405 5.224 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566878 CLDXTWFPJGIYBZ-UHFFFAOYSA-N 725.368 6.884 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 2313567438 HJIDJFITYUQHGI-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2314531729 DNXDCABUGHTULN-UHFFFAOYSA-N 512.997 6.292 50 10 KKGE CC(C)c1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593171 IOTXRUZGJJUYQO-HHHXNRCGSA-N 513.663 6.269 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593907 VWCAHIHIPGBMQK-SIBVEZHUSA-N 560.517 6.315 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314618699 RZWACIPTIQOAHT-NDEPHWFRSA-N 564.686 6.044 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314619639 CVDFURNIDOHZQK-UHFFFAOYSA-N 577.084 7.081 50 10 KKGE CCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314621160 ZYCRVYQPRNVDDF-UHFFFAOYSA-N 502.611 5.498 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 2314634580 KSZMCMCYYSMSBX-PGUFJCEWSA-N 586.688 7.409 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2cccc(Br)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329699421 UWVACMLSSQJFNO-UHFFFAOYSA-N 574.294 6.835 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 2331376632 AJVCHLKDWKYZKY-CQSZACIVSA-N 505.423 7.174 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1C 2331402660 COGBDYIKOPFGKG-UHFFFAOYSA-N 513.619 6.314 50 10 KKGE CCc1nn(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2336039825 AEPQMDCNUYEZQG-GOSISDBHSA-N 543.097 6.571 50 10 KKGE COc1c(C)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 2362873287 QODLXICITNTZTN-SECBINFHSA-N 568.350 7.490 50 10 KKGE Clc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)c(I)c1 2365599443 WERWRJTTXJLXRA-HNNXBMFYSA-N 528.409 6.126 50 10 KKGE FC(F)(F)[C@H]1C[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2377313722 DMKSMIWKXXQWEE-JOYOIKCWSA-N 526.960 5.344 50 10 KKGE O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Sc2cccc3cccnc23)o1 20073289 UANPDWOQDVJDGZ-LGJNPRDNSA-N 512.454 6.125 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 38686455 AZTDYICLKDNICW-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1C 40823197 KLDILOKEHRFDSI-XAZZYMPDSA-N 507.406 5.447 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 59117548 XMVJIYUBEBHSHO-PDGQHHTCSA-N 511.361 6.166 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1 100453183 KSOKDUUTZGSQAW-RJNBOEKGSA-N 548.808 5.488 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(c3ccccc3)CC1)[C@@H]2Br 100869260 SVUFCPCPASDVNO-XPGWFJOJSA-N 549.145 5.021 50 10 KKGE C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(Br)cc1 100959488 RTAFRQMZTNVKJO-SRZZPIQSSA-N 519.031 5.202 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 101013278 WPHUISBPWHMMOO-QQTULTPQSA-N 581.698 5.658 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)S(=O)(=O)c1ccccc1 101014394 ZOKMDINCJKQMED-ANYBSYGZSA-N 572.712 5.442 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101333284 KKQKNLJPAZZVMZ-MTDXEUNCSA-N 536.676 6.665 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101337721 WUGZRASKUZLCRF-XLKFHUSGSA-N 529.556 5.801 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C2=O)cc1OC 101339186 MOPVMTCHFFCFNP-AJBULDERSA-N 616.718 6.426 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101339464 SZQBMJLNKBNDFV-UXHLAJHPSA-N 556.666 6.736 50 10 KKGE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 101350697 GZTZUYPXTKSFBZ-JLPGSUDCSA-N 533.609 6.637 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 101361373 JHZCGIVCTFDMGV-SFHVURJKSA-N 600.669 7.165 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OC 101368016 XJJCPSLWBJOLKW-XLYKILBFSA-N 540.616 6.110 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380136 WOORTXUKYAVJQH-WJOKGBTCSA-N 548.614 7.140 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384781 OCADZOZHZHCNPX-WJOKGBTCSA-N 601.486 7.392 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101386978 XKAGJXRTGPFUFP-PMERELPUSA-N 536.559 6.159 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389824 JXYQYDIPRBYACF-MUUNZHRXSA-N 593.488 7.470 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101395282 CKJGKWOQAJDTMN-NDEPHWFRSA-N 542.563 6.505 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610155 OJEUFQVLEINFLQ-KGHBKMJJSA-N 579.656 7.335 50 10 KKGE O=C(/C=C\c1ccco1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C\c3ccco3)cc2)cc1 102043424 LHMWVIRWEARZFE-VULZFCBJSA-N 606.776 6.725 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccs4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 109557034 RSAQOEBMMJPDMA-QJOMJCCJSA-N 565.676 7.933 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150420900 RLMHEYQAMLFNPF-UHFFFAOYSA-N 643.170 6.030 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433444 OSPFDSBSSQWCFK-HKBQPEDESA-N 651.930 8.070 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150463678 JDNYGDJOURATHQ-VJRIHLSISA-N 662.768 5.562 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 150498719 APWDKDZPUXMQCZ-IURWMYGYSA-N 651.435 8.100 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)c2ccc(Cl)cc2)cc1OC 169691466 ADEBGCPTCVGTOS-DOPYIHRPSA-N 521.485 5.403 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724487 VYFSPNKCOVGVSC-HLADLETHSA-N 705.721 5.131 50 10 KKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205774770 HIYQFLTYJLUGJH-APWQXFQUSA-N 602.716 5.381 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1OCCC(C)C 206955515 AOWPFWPTNUFFPQ-CSXXIVEWSA-N 514.578 5.555 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214305296 ZPVSOVWSSJTDNJ-MIXAMLLLSA-N 566.702 6.290 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 214324853 KOGPDVKUZCPBNJ-QCOJXGBLSA-N 554.622 5.629 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214385667 FCURSFVLTOOPAA-QRQIAZFYSA-N 572.621 5.849 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 236208734 FKTCBUHDHHBQCD-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2Br)C1 382679020 AHVOMBLPLZPWCD-NVXWUHKLSA-N 500.174 5.236 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)cc1Br 705437724 IPFCPOOSBPSBRU-NSHDSACASA-N 538.324 7.435 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721596110 ZQKVQSCNYLZUCF-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCC3)ccc1I 721607645 CIKKVGLLEFKWCV-HNNXBMFYSA-N 572.860 6.235 50 10 KKGE Cc1nc(CCl)cc(Oc2c(I)cc(Cl)cc2I)n1 723378952 OJESZUKBVDDWPF-UHFFFAOYSA-N 520.923 5.179 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](n2ccc3c(N(C(=O)c4ccccc4)[C@@H]4CCc5ccccc54)ncnc32)C[C@@H]1OC(=O)c1ccccc1 888087723 KZGMPWQXAXKCOW-CXEQJURGSA-N 686.929 8.964 50 10 KKGE c1ccc(N=C2N(c3ccccc3)[B-](c3ccccc3)(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)[P+]2(c2ccccc2)c2ccccc2)cc1 1078362837 CAZVHQNXCYXSCH-UHFFFAOYSA-N 722.681 10.731 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl 1083897032 LWLLTAUSKCPZPI-UHFFFAOYSA-N 613.965 5.851 50 10 KKGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1083928587 FASPSDUNQYXJRB-UHFFFAOYSA-N 539.963 5.103 50 10 KKGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1083973929 OXVOYTKTNSBLEE-UHFFFAOYSA-N 558.610 5.317 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 1084096034 PQTFWHRJOKWFMQ-NDEPHWFRSA-N 551.083 6.409 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2ccccn2)c(OCc2c(F)cccc2Cl)c1 1084150568 KWCAWPFAECHXRP-UHFFFAOYSA-N 501.027 5.542 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Br)cc1 1084157645 LQQPEPHWTRFSDO-BOPFTXTBSA-N 532.221 6.889 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1)S(=O)(=O)c1ccccc1 1084175777 YVCQAFVUJAVSBO-UHFFFAOYSA-N 639.221 7.832 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(F)cc1 1084216983 XAMGWSZJOVIPKH-UHFFFAOYSA-N 586.255 7.168 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2CC)ccc1OCc1c(Cl)cccc1Cl 1084227996 XKCAPUNCPGXZSE-UHFFFAOYSA-N 514.409 5.622 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2)S(C)(=O)=O)cc1C 1084409603 KUVQYZJDZIXVKC-UHFFFAOYSA-N 597.568 6.748 50 10 KKGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1 1615831904 IRHPAVCNBONRKT-LPCYTTHXSA-N 665.212 5.890 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748756 TXNPDUMFJVQSIK-UHFFFAOYSA-N 541.651 7.054 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751574 FQSAMRIWYYWKTA-UHFFFAOYSA-N 507.550 6.432 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 1772754504 IWRJNEILJXATNV-UHFFFAOYSA-N 505.453 5.988 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 1865683441 DVGRZSSFXRQJJO-QFIPXVFZSA-N 517.814 6.232 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695680 RGHOSYWSANNXPI-MUUNZHRXSA-N 541.051 6.261 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696816 LEEIYZFPXLQZII-FQEVSTJZSA-N 550.240 5.876 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697135 NWQYTLGZZBRJPT-LJAQVGFWSA-N 555.078 6.717 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703014 KUXIUUDFTMUDMX-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709659 ZHLLUIXHUYTSHK-GDLZYMKVSA-N 575.685 5.277 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712297 VCEWMBUXTQSOBV-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866744818 XYLHHEFDCZNXHL-WDYNHAJCSA-N 529.706 6.585 50 10 KKGE Cc1cc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nn1-c1ccc(Br)cc1 1866850896 SKEJFPLFLLYGGW-DEOSSOPVSA-N 546.450 5.626 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1OC 1868301075 KDBCQHFHCGBZKK-JYFHCDHNSA-N 553.688 6.488 50 10 KKGE CC(C)(C)c1ccc2c(c1)C(=O)CCN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868415588 ZNZCZJZUCHECAU-UHFFFAOYSA-N 540.092 8.136 50 10 KKGE CCc1cccc(CC)c1N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 1872748255 PJNDGRBOZXHBSH-PNHLSOANSA-N 505.599 6.685 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)\c2ccccc2)cc1OC 1872756893 GKYGJMGAFZCXHY-IQLUQOFASA-N 508.643 7.786 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(Br)sc2Br)s1 1900918496 GCKVTFGUASAVDI-SSDOTTSWSA-N 577.326 7.077 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(I)cc2)s1 1900919326 MGSVDEHRVVIVLN-SNVBAGLBSA-N 539.401 6.095 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1sc(Br)cc1Br 1922906687 MBSXTIJEWOEJNM-ZETCQYMHSA-N 510.896 6.285 50 10 KKGE Clc1cc(I)c(OC[C@H]2C[C@H](Br)C2)c(I)c1 1991496960 IQFNBSAKGXETMO-LJGSYFOKSA-N 527.365 5.102 50 10 KKGE Cc1cc([C@@H](Br)c2csc(Br)c2Br)c(C)cc1Br 2032958911 PESUIZQKYQBULE-LLVKDONJSA-N 517.906 7.137 50 10 KKGE CS(=O)(=O)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2047875716 UHOAFALNLDURFT-SSDOTTSWSA-N 501.487 5.330 50 10 KKGE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1c1c(CBr)ccc(Br)c1Cl 2098108039 AQSYDAUXSRWWBZ-BZUAXINKSA-N 500.706 6.485 50 10 KKGE FC1(F)CCCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2108665208 RAIWGGSZACAXSK-POYBYMJQSA-N 545.907 7.687 50 10 KKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1cc(I)ccc1Br 2146620616 LTNVDGWPYDXGOZ-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 2175011204 VAXFGTFDHYNQMF-SGMGOOAPSA-N 535.896 6.074 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 2198737869 UDJLIQASXJUDOD-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206393683 AEEZFRGCGCUMMP-LLVKDONJSA-N 676.060 8.637 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCC[C@@H]2OCC3)c1Br 2206397254 HCNZUHYTMLROGN-QCZZGDTMSA-N 596.777 7.132 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)s1 2233024262 VQKSOKWAXVDTRA-ZDUSSCGKSA-N 547.932 7.056 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1cc(Cl)cc(Cl)c1 2240917548 RKLNTGITSNYBJP-LLVKDONJSA-N 505.834 7.336 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1csc(Br)c1Br 2263624272 UQGBIBTYZYRMCN-JTQLQIEISA-N 507.519 7.640 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2270461102 MNQMYEDNTYASIY-SECBINFHSA-N 576.732 7.919 50 10 KKGE Fc1cc(Br)ccc1CO[C@@H](CI)c1ccc(Br)cc1 2281372598 MXBMACAYBKRZMX-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2Cl)cc1Br 2285941832 POCZNEABGXCEKZ-AWEZNQCLSA-N 550.285 7.559 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1I 2288344027 FHTCXJYRSJHRIM-LLVKDONJSA-N 645.699 7.341 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818713 OGJHIJRQMFHSCP-JDXUNRIESA-N 785.163 13.456 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2296500553 YGYGUTJLTNPRAW-UHFFFAOYSA-N 531.521 6.445 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296541963 YIQMKINSBQVDHX-UHFFFAOYSA-N 520.010 5.776 50 10 KKGE Cc1ccc(N2C(=O)[C@@H]3[C@H](C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)C(C#N)=C(N)S[C@H]3C2=O)cc1 2297460338 HUSONRRFIFIIQC-DQMJNTIXSA-N 536.440 6.190 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cccc(I)c2)CC1 2302682486 JTUCGOZBPOPAPK-UHFFFAOYSA-N 557.210 5.013 50 10 KKGE ClC[C@H](OCc1cc(I)ccc1Cl)[C@@H](I)CCl 2307206560 LOJALXMOKXICPP-QWRGUYRKSA-N 519.375 5.111 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)cc1 2313565277 CZRJDPSCVZNWPO-UHFFFAOYSA-N 542.079 6.302 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570986 KVLDRICUYHSGRF-UHFFFAOYSA-N 510.179 7.564 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631887 YAKXPYHUBWGVMN-UHFFFAOYSA-N 525.233 7.305 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 2314476790 VYKTUKNPHJFERB-PLQXJYEYSA-N 579.726 6.060 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(O)c2cc(Br)ccc2n1 2314486171 BCZHDDOHJKHBLV-UHFFFAOYSA-N 528.797 6.668 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 2314592274 PNUCROPCOYOXBJ-MUUNZHRXSA-N 525.674 6.411 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592400 SMMVKIOSUIFSCY-RUZDIDTESA-N 586.035 6.995 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 2314618687 RUEWOMBIHNMOEL-UHFFFAOYSA-N 515.573 5.044 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1OC 2314754296 OWAYQGOARUQQTI-UHFFFAOYSA-N 510.059 7.285 50 10 KKGE CCc1cc([C@@H](Br)c2c(Br)c(Br)nn2C)sc1Br 2316837329 GFCQODFKTNWOLX-SSDOTTSWSA-N 521.898 5.816 50 10 KKGE COc1sc([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2317772426 CKPWQJLEMYFQET-LLVKDONJSA-N 522.427 6.262 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C(C)C)cc4)csc3n2)ccc1O 2320486400 IEGQUKBSOKELLO-UHFFFAOYSA-N 508.625 5.144 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(Cl)cc1 2331046544 QCFKDIBMFXFGFR-UHFFFAOYSA-N 515.953 5.817 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331904 HLHFCDDIBJIFIT-KRWDZBQOSA-N 508.043 6.615 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331350556 AKGLVWHBWLBRLO-UHFFFAOYSA-N 511.087 8.038 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 2331377318 JJFIEZHQKNGZNX-UHFFFAOYSA-N 515.031 7.008 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331386816 QZUMLGRSERKHHU-CMJOXMDJSA-N 503.580 5.331 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 2331457818 LOLFDVLTJCZQIM-UHFFFAOYSA-N 517.695 7.034 50 10 KKGE Clc1cccc(OCc2cc(I)ccc2Br)c1CBr 2341778521 DCWLYJWFYZLSBK-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CC1(C)OCCC[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2349845717 RMSWHQKRZQJFRZ-HNNXBMFYSA-N 502.028 5.567 50 10 KKGE COc1cc([C@H](Br)c2scc(Br)c2Br)c(OC)cc1Cl 2363535121 QTSXDJSDHJZULD-NSHDSACASA-N 505.453 6.428 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 20826821 ZCYQLIOFLRWGBG-HSZRJFAPSA-N 524.694 5.514 50 10 KKGE C[C@H](Cl)C(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 35706274 GGQGOUBKDBWQME-MBSDFSHPSA-N 522.030 5.495 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1Cl 38650201 SODRESLKRCAKMX-HSZRJFAPSA-N 511.361 5.838 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 38660386 YMBZTHSCWOPJMF-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687038 BTDBWLHGQKYIFQ-XMMPIXPASA-N 501.007 7.115 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(=O)OC)cc3)c(C)c2c1 38700908 QKZAAMRBBGYNAD-SANMLTNESA-N 508.530 5.528 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 40884589 YMNHFGFZXLQZKJ-RHLTYPCLSA-N 500.551 5.309 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 59201081 UZNAUWVKIDQTPA-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(I)cc1 59399145 ADEBJUKURQRBBE-HMAPJEAMSA-N 517.370 6.398 50 10 KKGE O=[N+]([O-])c1ccc(OCc2ccccc2)c(SSc2cc([N+](=O)[O-])ccc2OCc2ccccc2)c1 72130463 HZHDOIRJIMRIDT-UHFFFAOYSA-N 520.588 7.460 50 10 KKGE in-vitro Cc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 100061595 OITNEHAVSFDAJC-UHFFFAOYSA-N 571.063 5.276 50 10 KKGE O=C1OC(=O)[C@@]23C1=CC(Cl)=C1c4c(Cl)ccc5ccc(Cl)c(c45)C(=C(Cl)C4=C2C(=O)OC4=O)[C@H]13 100368096 QZGSYCNZZJBRHA-BXKMTCNYSA-N 532.118 5.080 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 101115830 OGHKPPDKRBQHID-RAXLEYEMSA-N 546.197 6.646 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101335989 KQNCNUFARXUGJZ-AJBULDERSA-N 590.655 6.276 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 101339883 XYOKIILLYKBZHU-JVWAILMASA-N 545.555 5.249 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101372134 UDYXRRNTHBNWHD-CFHIZRQMSA-N 559.062 7.145 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101375392 HFYOANLBDOPNBZ-HKBQPEDESA-N 602.684 6.508 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383636 MDOOJCXHJUKHRN-PMERELPUSA-N 540.522 5.746 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384050 CQGJQOPGQIGWKO-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1Cl 101391335 FKFQBBMFJZOUDB-XMMPIXPASA-N 588.285 7.372 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396178 PYCQZBNKUJDEBQ-AREMUKBSSA-N 559.416 6.730 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2c1 101397576 BXSJWKDIUZRCHZ-JGCGQSQUSA-N 591.063 7.973 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1 102107712 FWDAISMXBRAQMS-JPSIXQBBSA-N 534.016 5.406 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103796443 QYLPYFXIULEEHF-XODNFHPESA-N 617.250 6.608 50 10 KKGE COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 104284707 ABIBVAVSWYJYQW-LICLKQGHSA-N 552.328 5.727 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1sc2ccccc2c1Cl 105543847 PVTOAPLYAQZCIN-UHFFFAOYSA-N 605.569 6.376 50 10 KKGE CC1(C)[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 117316409 PBWKJSUVKQONQK-ZJUUUORDSA-N 588.392 5.285 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 150462261 KMVHOUDKOFRANU-JGCGQSQUSA-N 679.984 8.851 50 10 KKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 161121105 UQIRZSJTADFFHF-OAHLLOKOSA-N 517.870 7.401 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214347490 VUXZSBLLQSVRDJ-OFWBYEQRSA-N 540.623 5.939 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214375278 HVRJLZWZHBTWHP-XYGWBWBKSA-N 570.617 5.656 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nnc(CNc2ccccc2C)n1-c1ccccc1 252620653 MIVMNLALIYSONE-IBGZPJMESA-N 579.524 5.590 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254407733 UPWKODXTBBSBKC-UHFFFAOYSA-N 519.554 5.039 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc4ccccc4c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254629450 JDARYYZGLNQVGC-UHFFFAOYSA-N 563.727 7.026 50 10 KKGE CN(C)c1ccc(C=NNC(=O)CCCCCCCCCCC(=O)NN=Cc2ccc(N(C)C)cc2)cc1 254683437 SXPAZZKGHCOPEZ-UHFFFAOYSA-N 520.722 5.320 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 254753123 RGZRQONUUKMGGT-UHFFFAOYSA-N 534.609 5.411 50 10 KKGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)c1cccc(NC(=O)c2ccc(C)s2)c1 254756833 JJCFBWUGAOICSO-UHFFFAOYSA-N 566.749 5.175 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccc(C)cc2)cc1 263628036 KJXROEJVVJGTCU-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE Brc1ccc(C[C@H](Br)c2cc(I)cc3c2OCC3)cc1 312242413 AMZSCMIZFRXWHB-HNNXBMFYSA-N 507.991 5.667 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2I)c(C)c1Br 312458257 SIPNRBDGSAAOFP-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](CNC(=O)NCc1ccc(F)cc1)c1cccs1 725238985 VCQJLCQHVBHLAI-AREMUKBSSA-N 552.071 6.800 50 10 KKGE CC(=NNC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725389981 GFBTXEHNRPGRDA-ZUWWUPDZSA-N 516.110 7.329 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1 725429235 WRBBFSUGNFYKEJ-NDENLUEZSA-N 540.255 6.953 50 10 KKGE CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@]2(CCC4=C2C(NCC2SCCCS2)=C[CH-][CH-]4)CC3)cc(C(C)(C)C)c1 953000673 LKNXSMAKNHFDEV-VCZQVZGSSA-N 776.193 12.001 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1083866613 GJHIBXPTZLYANE-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(C)cc1 1083875081 BMKFGNRUJLUWRB-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 1083907669 XISKITWUVTVPGV-UHFFFAOYSA-N 616.918 8.351 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1083912949 RKQGYHWRCIEXKX-HYARGMPZSA-N 625.317 5.745 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C)cc1 1083976484 HAVZJWPOXPCIEN-UHFFFAOYSA-N 503.396 6.575 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Br)cc1 1083988467 ZTMMQTWBJRKGON-LICLKQGHSA-N 623.672 6.840 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 1084112302 VXQCCJHXVVINFX-UHFFFAOYSA-N 501.583 5.375 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 1084115639 ARVRNCCTCFWWAG-BUVRLJJBSA-N 541.445 7.434 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)cc1C 1084160757 YAHGBRXHIAYVKF-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cccc(Cl)c1Cl 1084174722 NTAHPBNVFCAYTH-UHFFFAOYSA-N 511.472 7.503 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084203249 ULMPFQBLUDCDOX-ZXVVBBHZSA-N 585.535 7.236 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(I)cc1 1084275549 URHASURJQKWJKC-MHZLTWQESA-N 628.507 5.970 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084365434 LVWSBWHQCLXQRR-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084380284 OCEJIZAJMPQXCD-UHFFFAOYSA-N 612.274 6.758 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084390089 JJQPRHSHCWCZKM-OVCLIPMQSA-N 706.987 8.248 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084422507 SHKNRWDWWGHDNK-UHFFFAOYSA-N 592.025 5.725 50 10 KKGE O=C(N/N=C1\c2ccc(Cl)cc2C[C@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(OC(F)F)cc1 1614330631 BOAOJCYKACEXMB-FZKNQQEUSA-N 537.325 5.614 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743968 MTLPKRPRFXKXPM-UHFFFAOYSA-N 510.388 5.472 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744503 YNPYQPFZAPILJP-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 1772747531 QGRUEGSIKQXCSE-UHFFFAOYSA-N 502.571 5.490 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 1856701566 NBJRFADZXIXCDP-BTLBGHOKSA-N 672.642 5.353 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865690775 AVCROWVQXFTSNR-SANMLTNESA-N 579.539 6.751 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865691308 PEAHTBXONIGIBT-RUZDIDTESA-N 565.512 6.279 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694586 ZRGYFHXAVADPBU-MHZLTWQESA-N 545.470 6.906 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695482 DHLITZAEMTVXRZ-RUZDIDTESA-N 541.479 6.927 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc(Br)c1OC(C)C 1865696978 MHKHNDKYRWIHMB-JOCHJYFZSA-N 543.849 5.670 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865700939 HZKHTHDNBHGORC-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705385 ULKBKHLHBJLTEC-VWLOTQADSA-N 547.398 5.934 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705897 ISWNSMFOBKWMTM-SANMLTNESA-N 527.024 6.202 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711505 AFWDATBXGCXQMO-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3ccccc3C)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866643884 KZBRWKSIHLCOSV-MUUNZHRXSA-N 568.655 5.366 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1OC 1866993649 CICBLGHYDARPRL-CLJLJLNGSA-N 503.624 5.513 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867210772 KEGWAOPBJYLJIC-SANMLTNESA-N 540.620 5.146 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)C)n3)CC2)cc1C 1868231557 KMWIEOBMHNKQQQ-UHFFFAOYSA-N 501.656 6.333 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)C[C@@H]2c2ccccc21 1868415537 YFFRVDQJBRBPKU-AREMUKBSSA-N 567.118 6.795 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915116152 QQNIZOPHRKHHOC-LLVKDONJSA-N 510.089 6.089 50 10 KKGE Cc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579621 HVRVDZZXYGTGRH-ZCFIWIBFSA-N 509.908 6.890 50 10 KKGE COc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924596860 UVTZQKGWOKEJRP-QMMMGPOBSA-N 533.905 6.723 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1c(Cl)sc(Br)c1Cl 1925615560 BFUKMKLJOOZEQO-SSDOTTSWSA-N 511.863 7.398 50 10 KKGE FC[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2082593785 HTTQGRUUGVKAMH-AVPPRXQKSA-N 527.873 5.990 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2083335605 UOHQASKLSLPGKX-LLVKDONJSA-N 538.324 7.482 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCOCC1 2141469833 CINHVVXWEFLUNC-LBPRGKRZSA-N 584.766 6.989 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2141471178 OVESFDKRZIESBY-CFRZUPNOSA-N 534.311 6.919 50 10 KKGE Cc1cc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Br 2158580452 MTWLEYWMCDOGDB-UHFFFAOYSA-N 538.917 6.360 50 10 KKGE CCCCCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Br 2164486681 HSLRWGGDZIYYLM-NSHDSACASA-N 554.024 9.002 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)ccc1Br 2192153406 VMPJKIZDSXVGNG-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 2201068072 DANTVFDEMOUYOI-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2203006707 ICSZMEGLIYCOTF-ZDUSSCGKSA-N 595.294 6.963 50 10 KKGE FC(F)(F)CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206398603 WUCPYLQLLRKFRC-JTQLQIEISA-N 608.710 7.905 50 10 KKGE O=C(c1ccc(Br)cc1I)N(CCBr)Cc1cccs1 2207272080 MARKKOZZYCHNCV-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE COC[C@@H]1CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Br 2222476385 YNMCDAREQGSNFO-CSMHCCOUSA-N 525.926 6.329 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225632375 BNSMNXHAOLXVEX-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE C[C@@]1(n2c(CCCl)nc3cc(Br)c(Br)cc32)CCN(Cc2ccccc2)C1 2234064747 GMBCUQIJKHVKFE-OAQYLSRUSA-N 511.689 5.964 50 10 KKGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 2243925071 QEERHCWRDORLCQ-ZPHNUYGRSA-N 513.476 5.572 50 10 KKGE COC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(C)C1 2266429411 RGSAROLHIVJXOI-BZCBFNEHSA-N 584.766 6.988 50 10 KKGE COc1ccc([C@@H](Cl)c2scc(Br)c2Br)c(Br)c1Cl 2268266297 PSCZDGJFVYLITO-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1Cl 2283566400 QMEFIGNUBDHMHR-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1C 2288346427 YHHJHEKJNQJYAJ-SNVBAGLBSA-N 553.886 7.415 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc(C)c1C 2293190752 WGOLLPNMKKFMTC-UHFFFAOYSA-N 522.932 7.020 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482993 OMBSQXSTOXIQIO-UHFFFAOYSA-N 567.985 5.209 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(C(F)(F)F)c1 2295669927 MHXQDHAMNBQFCL-UHFFFAOYSA-N 516.519 7.382 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458572 DPYKVXWSRZPSMD-QFIPXVFZSA-N 563.293 7.365 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521527 UVHNZXKOJCHWFM-UHFFFAOYSA-N 583.382 5.950 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556827 MAVVGGOZHAKYRF-UHFFFAOYSA-N 597.282 6.677 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313571444 WONQMAFISHRKKU-UHFFFAOYSA-N 648.111 8.038 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592563 XTBGJENLUJDCGS-AREMUKBSSA-N 513.619 5.467 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314611133 RDNNQWURKZCEKL-UHFFFAOYSA-N 560.629 6.650 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C(C)=C(C#N)C2=O)cc1 2314616869 LNHYEZAOZBCOHO-UHFFFAOYSA-N 545.555 5.249 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314616876 LRLLGGYQRSLHDA-UHFFFAOYSA-N 572.640 6.792 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314617493 ZHHPCTPABIRJBO-UHFFFAOYSA-N 641.127 7.573 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314619028 YMKGPYLILWMDDD-UHFFFAOYSA-N 538.692 5.747 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314619529 AKWBGSNWEKITKV-UHFFFAOYSA-N 566.658 5.428 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634535 GXTBPZYSAILNDQ-GDLZYMKVSA-N 510.590 5.838 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(OC)cc3)ccc21 2314640633 FSCFLNJDHVUBGE-SSEXGKCCSA-N 510.590 6.101 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314640678 LMJMEWNJKRWNMB-UMSFTDKQSA-N 591.107 8.053 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 2316834747 UDVOARXLKFVSHT-GSVOUGTGSA-N 651.636 6.778 50 10 KKGE Cc1cc(I)ccc1NC(=O)C(C#N)=CNc1ccc(Cl)c(C(F)(F)F)c1 2325406233 YMQCJKXYJDZFAT-UHFFFAOYSA-N 505.665 5.730 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 2333257267 QAGNTHOJEGTRBR-SUJGJWLMSA-N 526.922 9.641 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2338025179 DPPIVVMQOXHCCW-CQSZACIVSA-N 531.933 7.472 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2338030459 ASKTWQRPQQOVPL-AWEZNQCLSA-N 578.933 7.315 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2csc(I)c2)c1Br 2339639861 RJISMGZLNFSBRC-GFCCVEGCSA-N 536.454 6.523 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(I)c1 2362222796 DPKWUHWPIKBDKN-GFCCVEGCSA-N 556.797 7.076 50 10 KKGE COc1c(C)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 2362868778 HLUNBEPNPRSZBU-SNVBAGLBSA-N 523.899 7.334 50 10 KKGE COc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 2364262239 ZDHFVENUONUKGP-VIFPVBQESA-N 568.350 7.329 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)c(Cl)c1 2365222244 BHYAIKXIDLRMBG-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 2076810 CGNSEAQTOVFZOF-AJBULDERSA-N 507.546 5.321 50 10 KKGE Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 15231257 CJFBBXINNVFRKV-QGOAFFKASA-N 505.361 6.759 50 10 KKGE O=C(c1ccccc1SSc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 29466097 SIVLBQKGSXISHM-UHFFFAOYSA-N 622.860 6.402 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 38679365 MTRUSTYBPFRPIG-GDLZYMKVSA-N 514.578 5.249 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1cc(Br)ccc1O 40840878 HNGCLUYKHYHYON-WYMPLXKRSA-N 504.178 5.113 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1cccnc1 58991771 FVDCNLXXCUDVID-MUFRIFMGSA-N 519.030 5.001 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 100237260 DVHXWGVRCGNYKP-APTYXWLQSA-N 555.027 5.379 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 101013407 APSZEXGOOWGWEY-IMRQLAEWSA-N 579.103 5.316 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C1 101014114 KGVRIJLZZDAGJT-NTCDWBGLSA-N 569.687 5.022 50 10 KKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)c1 101115876 XFUOLBOJRUZRON-WJDWOHSUSA-N 521.360 5.656 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101336927 FVMIHMARERAGTL-IAWFGPOKSA-N 506.606 5.236 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 101340755 STWLOGFQCVOVTC-WGOQTCKBSA-N 581.047 6.913 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101341608 OISQSHAXJIYRHA-RUMWWMSVSA-N 616.674 5.290 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Br)c1 101363508 BFKLWJWECJFXEE-OAQYLSRUSA-N 516.178 6.193 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(F)c1 101370108 VZFWUCRQRLYRFA-QGZVFWFLSA-N 588.633 7.295 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 101373096 NKTLARDZEKAERX-MUUNZHRXSA-N 533.024 6.338 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 101376154 AOHQJZKMGREBIM-HKBQPEDESA-N 540.660 6.612 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379983 HIKOWDQNPSJYOL-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383233 MBXCUGYQTOPXCQ-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1 101386034 BEXHYAUIMUCLFR-LJAQVGFWSA-N 617.883 7.127 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101387774 WQIWODBRUJKGEG-HKBQPEDESA-N 577.593 6.318 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101388918 WOGJPBDTSUZXSM-PMERELPUSA-N 581.556 6.149 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101391421 SCLQLAVFEOVFRN-FQEVSTJZSA-N 606.712 8.061 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccccc1Br 101394008 CKZDRZNTSOPMOX-HXUWFJFHSA-N 572.267 7.408 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101397308 OUNGXUGHAXAFGZ-SANMLTNESA-N 553.442 7.008 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398231 YWAJPIYLIZPWTI-GDLZYMKVSA-N 587.459 7.327 50 10 KKGE CC(/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)=C\c1ccco1 101408944 HRNWYFNKAXCIHC-PEVHOGHXSA-N 513.667 6.431 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Cl)cc3)nc12 102851198 DGYGUMIYQIMUMK-MOSHPQCFSA-N 556.825 5.550 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1 103756912 KGLQTILGAMAHNO-ISDBRLTDSA-N 564.594 5.718 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 103794149 NBZWMCQMTUNAKB-XQNSMLJCSA-N 613.581 7.903 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 150460143 YUTAKBJXJAXPCG-JGCGQSQUSA-N 645.539 8.197 50 10 KKGE COc1ccc(C2=CS/C(=C(\C#N)C(=O)COC(=O)c3cccc(N4CC(=O)C(c5nc(-c6ccc(OC)c(OC)c6)cs5)=C4N)c3)N2)cc1OC 150571970 KBRWZYQVARJHRM-JWHWKPFMSA-N 737.816 5.357 50 10 KKGE CCOc1cc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(=O)CCl 159693924 FNKHTULLWWVLBC-ZQHSETAFSA-N 673.861 5.190 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205655015 CCBREUXBLJWZLT-KELAWDMXSA-N 524.617 6.491 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1OC 206501885 GYWQZMPHDQPGJU-QDGJKXNTSA-N 506.599 5.325 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214313808 KHLOUVMCEVYXGU-IPPDYPEDSA-N 541.611 5.359 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)c(Cl)s2)ccc1I 232345602 VPNXAOURCAPREB-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1cccc2ccccc12 232482972 JHEKXOAHFKYAPQ-KRWDZBQOSA-N 501.987 6.691 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=C(CCc1ccccc1)CCc1ccccc1 253567192 JVFJOBDXRPODGI-UHFFFAOYSA-N 522.739 8.150 50 10 KKGE COc1ccccc1C=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 254345493 ZOGUJWZDUIAOSG-UHFFFAOYSA-N 513.619 5.163 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 254393657 ONUGLXHWPMKISX-UHFFFAOYSA-N 524.573 5.413 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 254741243 KKEVWLWFXWLTTN-UHFFFAOYSA-N 556.626 5.497 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254826259 HRGJDWMRZSKJIQ-UHFFFAOYSA-N 595.781 6.971 50 10 KKGE COC(=O)[C@@H](C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 575234415 JKMFKRMCPAVZBE-UHSQPCAPSA-O 635.335 6.100 50 10 KKGE CC1=C(C=O)[C@H](c2ccccc2)C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)=C(C)N1 575416057 QLZVEFIQSQFQRJ-YTTGMZPUSA-N 535.688 5.071 50 10 KKGE in-vitro Cc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 719579197 YJZVYWJYLUKZPZ-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721574525 ZLJUPFWCLFICOX-INIZCTEOSA-N 508.035 6.836 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725413922 FPEIVVJSMCXMFR-UHFFFAOYSA-N 574.556 6.483 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C 1084025690 KTXAKGAABKAPPV-UHFFFAOYSA-N 590.749 6.870 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)o2)cc1 1084045093 WKCXOOFIYBOGKF-UHFFFAOYSA-N 610.486 5.231 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 1084154679 ICBYFYZWAQGXBR-UHFFFAOYSA-N 504.345 5.199 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1 1084183366 CRPOSBHWCLNAJO-YBFXNURJSA-N 560.275 7.588 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OCC 1084340322 RUKTUKFYBMYEHH-MHWRWJLKSA-N 538.225 5.972 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(F)cc1 1084350410 BQIKLAFPRQBWAD-UHFFFAOYSA-N 536.401 6.121 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 1084491050 FPTARCGSNANHRY-UHFFFAOYSA-N 548.345 5.497 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2ccccc2[C@H](C)CC)cc1 1084512077 FLKVGYDHAASNGI-PSWAGMNNSA-N 542.680 5.772 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084527902 HYMSGIAOAJRZPV-UHFFFAOYSA-N 631.585 7.560 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1C 1084568137 AZVIRGBQUKPTPL-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE O=C(NN(C(=O)c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 1088733141 VHQAPIPDRDLCJH-UHFFFAOYSA-N 512.264 7.056 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747352 AWUGHOVBKRLDQO-UHFFFAOYSA-N 526.036 6.160 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749001 GBZKZXJYXQGGDD-UHFFFAOYSA-N 537.399 6.503 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689867 FIZNGWZHWALRGF-SANMLTNESA-N 517.416 6.344 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865691741 ZXFIAKLWRHLKLZ-XMMPIXPASA-N 557.448 6.317 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(OC)c1OC 1865692345 LKROCQFACPKHIE-DEOSSOPVSA-N 528.996 5.496 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696042 BKDYITQUWIPQDH-MHZLTWQESA-N 557.050 6.607 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865701909 HWYXRXYJTNEXKX-LJAQVGFWSA-N 533.676 6.288 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702943 IVMHKTSHDYKGHU-SANMLTNESA-N 512.997 5.894 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705536 YQTKJTLAUPIRLS-AREMUKBSSA-N 508.553 5.460 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714374 IOXMHZGWTCDNSE-HSZRJFAPSA-N 530.968 5.142 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)cc1 1866872817 NLNOXDWGKIOTCC-DQEYMECFSA-N 547.681 5.103 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(C)ccc4[C@@H]3CC(C)C)n2)c1 1868504958 BGTWAGJAEOMNOC-LJAQVGFWSA-N 535.717 7.927 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 1872759038 BOTKJGLSQFDVJS-ATJXCDBQSA-N 517.950 5.811 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1Cl 1872794532 HODJMQYMADMORI-DEDYPNTBSA-N 512.031 5.256 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)oc1Br 1922934479 HBYNJRVQUDSFNB-QMMMGPOBSA-N 507.867 6.730 50 10 KKGE CC(C)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048885 VERWUVXKXMOBDE-ZCFIWIBFSA-N 542.729 7.219 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2019934482 QNSXTLBQWUVBRB-MEQXXCBNSA-N 509.883 6.041 50 10 KKGE C[C@H]1[C@@H](C)[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780015 NWBWSQCDHWYBEL-CMOFIFEBSA-N 510.289 6.919 50 10 KKGE CC(C)[C@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 2026217518 LBZLXZKRXOZJSS-SFHVURJKSA-N 520.636 5.960 50 10 KKGE CCc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)s1 2029238307 GXCIFAPGEGMMQU-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 2030224164 XEFSMNSZPFCJJD-ZDUSSCGKSA-N 564.906 6.924 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(Cl)ccc2Br)C1 2080304200 JNBJVBWWTQESBQ-GOSISDBHSA-N 544.655 5.824 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2097825328 VJFHDRRYVXWXEI-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC23CCCC3)c1Br 2141473123 LLIARKDGSIJINX-WRWORJQWSA-N 580.778 7.753 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2203829528 KCRIPAISBLGSLS-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Fc1ccc(Br)c(CO[C@@H](CI)c2ccccc2Br)c1 2206279165 UFNOOAMHRXFUMM-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206408201 HRKHMBINBLCIPA-CYBMUJFWSA-N 678.609 8.323 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 2206586332 JNDQBGJRGKUHLX-CQSZACIVSA-N 530.425 6.461 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c(Cl)c1Cl 2217617517 HMJJEPZFUDKCJS-INIZCTEOSA-N 541.519 8.534 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1I 2225620726 YBLICYDRMLKPKD-CQSZACIVSA-N 562.840 6.748 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2231810258 FTIASXRUGWGYDG-HGWBJXFBSA-N 551.842 6.439 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2Br)c(F)c1Br 2236111855 WWMWASBCMOTCTR-LLVKDONJSA-N 537.793 6.876 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1C 2237632342 WIPSFMVWHXGYLI-SNVBAGLBSA-N 509.435 7.306 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 2255900089 DOVDCDNMZPXJCO-VIFPVBQESA-N 589.287 7.108 50 10 KKGE CCOc1ccc([C@H](Br)c2c(F)cccc2I)c(Br)c1 2282892118 AGNWPUJODCVQMZ-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE CC(C)(C)CCN(CCBr)C(=O)c1ccc(Br)cc1I 2289897397 RMWBCYODCMZVFA-UHFFFAOYSA-N 517.043 5.327 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(Br)cc2)cc1 2293198398 GVPLNWKMTNRREO-DEOSSOPVSA-N 532.463 6.131 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 2293202127 GHZFRODLDNMYBB-UHFFFAOYSA-N 550.002 7.139 50 10 KKGE COc1cc(OC)c([C@H](Br)c2csc(Br)c2Br)cc1Br 2295421477 OQBZEADBTPQUCF-NSHDSACASA-N 549.904 6.537 50 10 KKGE N#CC(=CNc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296169355 IDTADITUCNRXRX-UHFFFAOYSA-N 552.759 7.328 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790147 RZADDFAOUASSIP-UHFFFAOYSA-N 574.522 7.051 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(Br)c3)n2)cc1OC 2297453837 BOHQFBYEVQYPDV-UHFFFAOYSA-N 522.218 6.122 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 2297549630 XHVOFIUMCFELPN-UHFFFAOYSA-N 544.526 8.414 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 2313518904 YSCICNSTQOQIPI-UHFFFAOYSA-N 570.281 7.043 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314488319 NLOFZXWTMZNAQB-UHFFFAOYSA-N 501.907 6.802 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1Cl 2314617551 CLWHWHDVQYWUKT-UHFFFAOYSA-N 500.986 5.594 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617841 BTQDLPCCSNMADZ-MHZLTWQESA-N 584.720 7.852 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617960 DTCPJGOVALCESG-MHZLTWQESA-N 536.632 5.345 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 2314620955 XBIASZXACCRFGO-UHFFFAOYSA-N 558.613 6.344 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314751075 NOCLMBPPEDPHLO-LJQANCHMSA-N 508.530 5.195 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 2314760614 QDWWRFHWUKZIFY-UHFFFAOYSA-N 530.621 5.964 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 2331345527 QYIGYTDWSBWKEZ-UHFFFAOYSA-N 511.087 8.301 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc1 2331346036 SYRMTYUNGMCPTR-UHFFFAOYSA-N 506.628 7.083 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)c1OC 2331412632 QXGJEZWSLZEERJ-AEFFLSMTSA-N 505.596 5.238 50 10 KKGE FC1(F)CC[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2335365494 POHYPLPNGRXRBZ-SVGQVSJJSA-N 546.269 7.452 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1c(Br)c(Br)nn1C 2364062985 DYYVGGOKEVERDH-SECBINFHSA-N 507.835 5.698 50 10 KKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2377332457 PJCLCIPKKRSKGU-CYBMUJFWSA-N 528.453 6.503 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 2785231 DDTVWSFQSNLEBE-MOSHPQCFSA-N 541.357 6.065 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C(SCc2ccc(F)cc2Cl)SCc2ccc(F)cc2Cl)c1 3059060 ZBVPJYJWNDDRCI-UHFFFAOYSA-N 535.468 8.121 50 10 KKGE CC/C(=N\NC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)c1ccccc1 12418198 CEBLSNJPTAZFDX-HPNDGRJYSA-N 520.456 5.719 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 14669715 QLVACEQXOJOHRQ-UHFFFAOYSA-N 525.443 5.342 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)sc2c1CC[C@@H](C)C2 33534930 PMCXHERXOMABNB-SUNMQZQPSA-N 523.658 6.598 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1)c1nnc(NC(=O)c2ccccc2)s1 34687804 SZZCOGHPAZUSCB-HKWRFOASSA-N 513.535 5.221 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38681070 QPAQLEYLZXGEQK-NDEPHWFRSA-N 512.562 5.485 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38684069 GPENNAAUBHVLFC-HHHXNRCGSA-N 502.542 5.841 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5C)ccc43)cc2)cc1 38686249 GVDFANMALFSVHJ-PMERELPUSA-N 502.570 6.320 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813346 HIAWTETWUOULGD-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822779 SLYINYMXCSSQST-DNGXXSEMSA-N 514.581 7.098 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccccc1Cl 40840308 RFWSXLYQQAYIFC-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 58991150 NKBTUPSMCIEUBA-MWAVMZGNSA-N 501.631 5.604 50 10 KKGE Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)c1 59304574 DVNXVVGVLKCCNJ-VULFUBBASA-N 510.331 5.689 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC 72400259 RDDRRJZMDSQIKB-DGZCRLAFSA-N 641.462 12.979 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)Cc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)Cc3ccccc3)c2c1O 97962848 CMPBVRXRSCQBDI-RPLGEVEGSA-N 782.894 8.143 50 10 KKGE C[C@H]([C]1[CH][CH][CH][CH]1)P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 100032545 PEFGTLHCVSLCPN-GFCCVEGCSA-N 549.315 7.988 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(Cc3ccccc3)CC1)[C@@H]2Br 100935253 TZEWKXGMMOKHOM-CZAAIQMYSA-N 563.172 5.017 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034371 YNVJPOZIVCGFNJ-UDWIEESQSA-N 584.451 6.761 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341349 YITPYOAKEIOXSF-BUVRLJJBSA-N 559.022 5.137 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)c(OC)c2)cc1 101368050 ZYHFJJMXDWKJEA-PMERELPUSA-N 540.616 6.266 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379853 WMPAHMPPZBKAMQ-ADSBAMQRSA-N 571.004 6.649 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388389 NDXWOGYTPVGOTG-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743157 IFYLIBDUDXMBIS-BSSRNLCFSA-N 532.463 5.500 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 103884431 FSWWRPVRVUDAEI-LFVJCYFKSA-N 611.367 7.319 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 150382936 IPIRRINABDJXML-HWSJQMDSSA-N 684.268 5.167 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 150429460 LDIMKOPLQWRLGH-WGNDPNKDSA-N 637.312 5.995 50 10 KKGE CCC1(CC)[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 155254064 MVCJVPIELFEPML-NEPJUHHUSA-N 616.446 6.065 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc(Br)sc1Br 161072070 GAIZCWHKMGZJFR-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 169682275 UISXOAJBTYXLPL-VGARAXIRSA-N 633.701 6.787 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205780094 LWYFHNWCFITPST-CLCCEFQUSA-N 660.752 5.338 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214228000 JVAGVAPCLQPZFO-QRQIAZFYSA-N 522.649 6.275 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 214400437 DLFVWDCKONRGKB-CEUNXORHSA-N 590.655 6.311 50 10 KKGE COc1ccc(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 234817481 YOUBUGFTWZRXNZ-CQSZACIVSA-N 516.398 6.153 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1c(O)ccc2ccccc12 252599745 DLAJEMVZDDVCND-IBGZPJMESA-N 648.530 5.974 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OCc1ccccc1 254404412 AFIMKHQOIFHLFU-UHFFFAOYSA-N 550.684 6.223 50 10 KKGE COc1cc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1O 254618904 TYVGHKOFBIHUAT-UHFFFAOYSA-N 529.666 5.579 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 254711057 UXVJXAAEMVVUFN-UHFFFAOYSA-N 542.665 6.081 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccc(C(C)(C)C)cc1 254737620 LBQGEWCOWVIEJJ-UHFFFAOYSA-N 516.439 6.821 50 10 KKGE C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238566 VTWMBBBDORPCKE-OPAMFIHVSA-N 571.452 5.866 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 725406611 LQWVYIYZCAFUSG-QFIPXVFZSA-N 546.259 5.755 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(I)c2)cc1 1083998155 LLUQFKCHWQZGPJ-DEOSSOPVSA-N 592.861 5.886 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084080747 AJXLSXMBOZWIFO-QHCPKHFHSA-N 545.861 6.044 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Br)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084151251 CVODXPFGTBLPOE-UHFFFAOYSA-N 643.947 5.484 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 1084179712 SONBCVDNYARQGP-WOJGMQOQSA-N 546.248 7.279 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccc(Cl)cc1Cl 1084229126 QBRPYLFVOVULNF-UHFFFAOYSA-N 535.412 6.201 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084260593 QTUGNSZQJQRMCG-UHFFFAOYSA-N 698.634 7.203 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1 1084301103 CNEUBAYJWXTAKZ-OAHLLOKOSA-N 574.497 6.416 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC#N 1084308526 FDPOSNYGIOEPLA-UHFFFAOYSA-N 521.165 5.023 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084477876 WYGNENFMACDKIW-UHFFFAOYSA-N 622.716 7.331 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084604262 RFBNBBKDVPIVIQ-DEOSSOPVSA-N 610.332 6.706 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084613472 KMJGWFFHSQGJLY-UHFFFAOYSA-N 602.312 7.972 50 10 KKGE CC(C)(C)N(NC(=O)Nc1cc(F)ccc1F)C(=O)c1cc(Cl)cc(S(=O)(=O)c2ccccc2)c1 1615945690 AWFXRRKVLLLHAV-UHFFFAOYSA-N 521.973 5.428 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c(Br)c1 1772745120 RHTAOMYUWOIMBD-UHFFFAOYSA-N 559.258 6.144 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c(OC)c1 1772748226 VCEFYUKUWCUBQU-UHFFFAOYSA-N 523.589 5.995 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c1 1772748279 VVRMZXNEISYZOY-UHFFFAOYSA-N 524.415 5.867 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)OC2 1848435767 OSEKHTMTABJUIJ-MLPSMTKZSA-N 711.010 5.700 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cccc(Br)c1 1865684536 RNFHOJKUSACQHW-JOCHJYFZSA-N 501.359 5.718 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686277 TZZKRQSOZTVKMP-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(OC)c1OC 1865693654 XSANGQYWEWQHFR-NRFANRHFSA-N 522.483 5.288 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865695093 JQOHZEMWGVCACW-LJAQVGFWSA-N 522.649 6.774 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865695211 MXJRABXCAFJZIP-VWLOTQADSA-N 512.997 5.877 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701261 QORMIDMFKJRMIZ-SFHVURJKSA-N 564.665 5.927 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704224 QPIVIFPUJRKWGZ-PMERELPUSA-N 547.058 7.098 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865704942 IMUYZSXZWNMENR-AREMUKBSSA-N 526.980 5.339 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708889 IKUFEPFTLQMADG-SSEXGKCCSA-N 571.722 5.447 50 10 KKGE CC(C)C[C@@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865906835 UYIMZUKFFPXXCO-LURJTMIESA-N 530.648 5.540 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866740009 YGUHMOLFYUAOIK-SXOMAYOGSA-N 501.652 5.770 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866930553 JQKCLCTVENQICC-HKBQPEDESA-N 572.690 6.479 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867057529 RUOJUMWRXRCXSD-DEOSSOPVSA-N 513.648 5.077 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868301293 NDZSABLSSVGLKY-JGCGQSQUSA-N 553.735 8.505 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)CC1=O 1872751608 PJGOIFNFBDOHCZ-CEUZYJICSA-N 515.679 6.833 50 10 KKGE CC(C)CN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 1872753690 IYVTYFAZXKGEJE-RFBIWTDZSA-N 521.598 6.804 50 10 KKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 1872754392 QNKILXGEEQEVNC-ATJXCDBQSA-N 503.451 8.034 50 10 KKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OC 1872791957 ZJCPBLJGTOQPJJ-GZTJUZNOSA-N 503.487 7.666 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cocc2Br)c1 1899859283 YPXOULOTMMTETA-GOSISDBHSA-N 501.012 6.868 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1I 2026134300 ZMLRDDLAWNDIOP-NSHDSACASA-N 550.879 6.670 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085495675 RUXBGNHGVJSRAG-VIFPVBQESA-N 603.193 7.936 50 10 KKGE C[C@@H]1C[C@@H]1CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497168 ZBBPTFGJSRSBCG-FWWHASMVSA-N 524.316 7.453 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1Br 2094090054 CULVHXHXBUEWCQ-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCn3ncnc3C2)c1Br 2108969195 MEBLIQRCROGVLS-SVGQVSJJSA-N 534.897 5.326 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC3(CCCC3)CO2)c1Br 2109977444 AUEXIUPWABYFHK-VXNVDRBHSA-N 537.937 6.821 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@H]21 2190536842 JLECTUCXECHNFX-JRBPQWBISA-N 513.701 6.818 50 10 KKGE CC1(C)CN(S(=O)(=O)c2cc(CBr)sc2Br)CCCN1Cc1ccccc1 2193722992 AVEDSLPCLASFMR-UHFFFAOYSA-N 536.355 5.081 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)ccc2Cl)c1Br 2201075739 CYVXKGGUIJYAOG-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1ccc(F)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398328 UDXNEBRSDACFHB-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 2218596968 IJADVMXIAPJGMK-SNVBAGLBSA-N 542.287 7.265 50 10 KKGE CC1(C)C[C@@]1(Cl)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2222047672 LISYYWOMJDFBFB-CMPLNLGQSA-N 589.185 7.580 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)c(Cl)c1Cl 2232515884 DFIMPGHFTQMFKW-VIFPVBQESA-N 524.838 7.537 50 10 KKGE CC(C)(C)OC1CC(C[C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2232950629 NNUWOBKYYCTFLV-HACHORDNSA-N 509.529 7.299 50 10 KKGE Brc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)c(Br)c1 2238083396 XXAQRJFVTHEEJS-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1c(Br)sc(Br)c1Br 2246465177 JNUREOCEVAZHBN-SCSAIBSYSA-N 609.222 7.997 50 10 KKGE FC1(F)CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2252725353 XDMBNKFAYKMEGY-XINAWCOVSA-N 517.853 6.907 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2283581522 PDOHMYJJKCYZBJ-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)c(Br)c1 2288352072 FOFPSXZQOUQKLO-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2296500535 WFXPHFIFTLBPPE-UHFFFAOYSA-N 531.521 6.445 50 10 KKGE COC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)sc(C(C)=CC#N)c1C 2313517417 HYBUVFKNLUWBCY-UHFFFAOYSA-N 582.704 5.991 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570810 GSBJIHGFAKXGQH-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571197 PLXJYQQCEWEKML-UHFFFAOYSA-N 673.088 7.393 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1 2313571546 YRAJTDKVZVDCCF-UHFFFAOYSA-N 560.250 7.748 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Br)cc1 2313630865 GSXLXHSRYOGKJT-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 2314482442 LDIVVZIVZRGJGE-UHFFFAOYSA-N 570.976 8.070 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 2314618233 JZFCOULUNBEELA-UHFFFAOYSA-N 532.600 6.022 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314620792 VFXVCUVBZBOPMI-FQEVSTJZSA-N 561.041 6.309 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314621140 ZLKBYDCBZMIILB-UHFFFAOYSA-N 554.672 5.587 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2317780147 ZGPBQBIUQACJIL-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)c1C 2331364392 AZIAKPWNLRABOI-UHFFFAOYSA-N 519.626 6.790 50 10 KKGE CC(=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)=Cc1csc(C)n1)C[C@@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 2333151881 YKXYTSHOAIXBSR-AJYOZGBCSA-N 692.193 10.862 50 10 KKGE FC(F)(F)c1cscc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336055166 XWAPUSOKCVFBQJ-GOSISDBHSA-N 506.181 7.593 50 10 KKGE Brc1cc(C[C@@H]2CCc3ccccc3[C@H]2Br)ccc1I 2377250871 BHTGQXCQTVBXME-GUYCJALGSA-N 506.019 6.295 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cccc(I)c2)c1 2381249162 FARVFEGSLDCLFF-OAHLLOKOSA-N 510.007 6.109 50 10 KKGE COc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1 2866107 AXZCSAWKXYBYDL-VCHYOVAHSA-N 555.328 5.290 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1 3283626 ASHKGBNONQELEA-UHFFFAOYSA-N 533.660 5.227 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 11852123 WQEGQXLZHRELRI-GDNBJRDFSA-N 514.821 7.500 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1 33347214 WIROGOBSMLYPKK-HMMYKYKNSA-N 519.579 6.143 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 58890184 INOKBJOKYDTJSG-WHXCVRPHSA-N 515.379 5.140 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 96401929 BMUNSUPCXUKWFE-WQRHYEAKSA-N 512.349 6.425 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100181122 RJVRCBXQZMXKMU-UHFFFAOYSA-N 548.659 5.130 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl 101013102 GHPAUBMQHAONAW-ONUIUJJFSA-N 532.065 7.018 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245963 AUYYIJDNKKKAFS-IEQIIXMPSA-N 535.591 6.641 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101368162 INTWBADIDMMMJK-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384276 OFQSRODIAYLJRC-HKBQPEDESA-N 550.586 6.629 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386394 PGMSOXZSSCWGNZ-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101387708 PSUSYGKQXCJCPC-UUWRZZSWSA-N 576.649 6.484 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390931 NBBJDRXDJHTHFX-WJOKGBTCSA-N 615.513 8.189 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)c(C)c2cc1C 101391459 AOOFFORQERFOFE-VWLOTQADSA-N 529.390 6.558 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 101631411 QVBNQOHUQMVVON-ZXPTYKNPSA-N 554.872 5.980 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 102666079 VPENQAIMVWAXQP-JJMKSGPCSA-N 523.593 5.385 50 10 KKGE O=C(NCc1ccc(F)cc1)c1cc(NC(=O)[C@H](Cl)c2ccccc2)ccc1N1CCC(Cc2ccccc2)CC1 103139196 PMINZKPZTRXMHB-JGCGQSQUSA-N 570.108 7.133 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742886 GAAPAZQOAGJJRC-CTHAODRQSA-N 552.881 6.476 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1I 104994785 FXYAMXUDCIEKLQ-WKULSOCRSA-N 547.352 5.365 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCc1ccccc1 110553990 NXTLGBSNPOKEGE-OVVQPSECSA-N 528.587 6.481 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)c(Br)s1 127780106 ICFXAJKZRDTMHP-JTQLQIEISA-N 542.287 7.312 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2oc2c(P(c4ccccc4)c4ccccc4)ccc4cccc3c42)cc1 138723631 SLADUUFDDWXCTD-UHFFFAOYSA-N 586.611 8.256 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463052 ZLGBUUOHTNWBQQ-MUUNZHRXSA-N 732.856 10.193 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccc(Br)cc12 150481760 UMSXEYQFZJAOSQ-PMERELPUSA-N 641.905 8.174 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2c1O 150573551 PNVBXOUXEPWOBR-OWUNFLNTSA-N 935.090 11.322 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cc(-n5c(C)ccc5C)ccc4Cl)c3C)sc3c2CCCC3)cc1 164592957 XFQZLCSNQZDNIH-CHSHITCJSA-N 638.237 8.420 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 164608347 YFEVMMSFOIGKII-ODNPBWNPSA-N 685.518 7.138 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12 164642613 YEWWREZNGKYPND-BKATUZMVSA-N 705.596 8.952 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC 206237391 KNZRNFXJZQXDNV-CLCOLTQESA-N 504.627 6.689 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 206288762 JQDNEUSZCBRTTN-VOKBXCRRSA-N 521.610 6.142 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214335748 NQNXYRDDEILACP-LWMBOBTJSA-N 540.623 6.216 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214348738 CLYLAPSBNHBYKG-XSVYLIDLSA-N 590.683 6.953 50 10 KKGE CC(C)Oc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 232688558 VKIVUBSYDYBWHH-INIZCTEOSA-N 510.007 6.325 50 10 KKGE Clc1ccccc1C[C@H](Br)c1cc(I)ccc1Br 236044310 AYBYFEABWOQAFT-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE COc1ccc(-c2nn(Cc3c(Cl)cccc3Cl)cc2C=NNC(=O)c2cc(O)cc(O)c2)cc1OC 254393101 DFDWSPKRFRWEID-UHFFFAOYSA-N 541.391 5.098 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254750526 CAOMIZQKGALHSF-UHFFFAOYSA-N 570.763 6.329 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 255961454 GLZJEJORZCPFIE-AMMPGEMCSA-N 529.559 5.723 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]12 255994945 PNTVVZJLRPNFKC-ZNBVDSDJSA-N 550.853 6.810 50 10 KKGE Clc1cc(I)c(Oc2cccc(Cl)c2CBr)c(I)c1 311483078 LMPVHHAGILOOCZ-UHFFFAOYSA-N 583.816 6.890 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccccc2I)c(F)c1F 398788865 OZEWKHFPEJOUGI-LLVKDONJSA-N 505.897 5.955 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232533 YQVJBMURKHNOBB-VKBZIBBDSA-N 649.379 6.032 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616679511 VGIOLFYRCUPENG-NDEPHWFRSA-N 511.899 8.178 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1 1083923946 AJGCZVUXTDJDNQ-LFVJCYFKSA-N 546.465 5.601 50 10 KKGE O=C(c1ccccc1)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084055628 QNTNPOCQUCFDSA-UHFFFAOYSA-N 553.141 6.242 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1cccc(Cl)c1 1084347806 MFIGVHOKCRHBRS-UHFFFAOYSA-N 620.931 7.025 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(F)cc1 1084475895 MAHJJQXEIDUMGE-NHFJDJAPSA-N 525.624 5.788 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 1084600681 DVWYNQCSOHQXFO-UHFFFAOYSA-N 537.838 6.072 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084654701 PWOKDOTZPWWWIN-UHFFFAOYSA-N 538.354 5.845 50 10 KKGE O=C(/C(N=C(c1ccccc1)N1CCOCC1)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1 1088587101 VJTNLPSGPOUERR-AZRMSRGFSA-N 666.782 5.987 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@H](NC(=O)c4ccccc4)N(C)C3=O)[C@@H](OC)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1565534957 LCLFYBGFFZSQOB-PAYIRKIPSA-N 794.034 7.780 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2OC(F)(F)F)C1 1614627004 TVXSQKKPZHSBFF-WBVHZDCISA-N 505.274 5.372 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NC5CC(C)(C)NC(C)(C)C5)c(C)c43)coc2c1 1772751957 OIEFTKNPURIEFD-UHFFFAOYSA-N 532.685 5.389 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cccc6cccnc56)c(C)c43)coc2c1 1772752056 UMGWWBZHEHZGMC-UHFFFAOYSA-N 521.573 6.118 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)ccc1Br 1772754285 UWCSXPNZVQRZBU-UHFFFAOYSA-N 532.232 5.628 50 10 KKGE CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772755196 UEYIFNXLFDGVMK-UHFFFAOYSA-N 548.528 6.393 50 10 KKGE O=C(NC1CCCCC1)N(C(=O)c1ccccc1P(c1ccccc1)c1ccccc1)C1CCCCC1 1848437554 UQRPNFJRJIPCKI-UHFFFAOYSA-N 512.634 6.262 50 10 KKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(-c3ccc(Br)cc3)n2)cc1 1862326235 CIORCXSEWHCSSJ-UHFFFAOYSA-N 503.425 6.245 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OCC 1865691276 OGWHTKWBMAXBGE-MUUNZHRXSA-N 500.643 6.043 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1Cl 1865694070 UBUGSWPFMWFXNN-SFHVURJKSA-N 504.896 5.229 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1865694984 HFKOWXQSVQUBCP-HHHXNRCGSA-N 557.448 6.057 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695683 RGHOSYWSANNXPI-NDEPHWFRSA-N 541.051 6.261 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865696431 MNNHDMUXFLEQNR-SSEXGKCCSA-N 564.686 7.042 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697351 QIVYYJYNAJQKJY-LJAQVGFWSA-N 520.633 5.982 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700999 JLWUIMCNSSYXNS-MHZLTWQESA-N 527.024 5.953 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704290 RXMZIIMMIPOJRM-GDLZYMKVSA-N 553.449 7.438 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(Cl)c1O 1865707343 UWFBHGHVGVEJGR-LJQANCHMSA-N 512.875 5.630 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709935 KLERXOGZUPAHFF-NDEPHWFRSA-N 573.565 5.599 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1866215396 UIKAHMCQGOZRKK-RELWKKBWSA-N 578.643 5.040 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1 1868300544 FCZIBVSPWJPWEV-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C)cc2)n1)C3 1868321116 VWTHVFDEHRFJEU-UHFFFAOYSA-N 518.646 6.821 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(OC)c1 1872755446 NQVCCDKXUVAPPZ-MNDPQUGUSA-N 500.420 6.815 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1877187377 CDDKOKVIIYHWEI-ZETCQYMHSA-N 600.794 6.578 50 10 KKGE Cc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924589616 DCQRGSKPVOZGQV-SECBINFHSA-N 538.324 7.482 50 10 KKGE Clc1sc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 1981402557 XZFGSVAZUANNFU-SSDOTTSWSA-N 530.326 7.235 50 10 KKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1c(Br)sc(Br)c1Br 2043522770 ZEGYXQXKSHOGDY-FROZIPMSSA-N 531.836 5.753 50 10 KKGE CC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2069944337 IXCCNHBGPNFRBE-SSDOTTSWSA-N 531.880 7.297 50 10 KKGE CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2081163520 MZSJBQAEOZXWNJ-JYYCPQESSA-N 756.830 5.231 50 10 KKGE CC(C)(C(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493028 VRSZSCSZMHLPBN-VIFPVBQESA-N 534.258 7.308 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@]23C[C@H](CO2)C3)c1Br 2085498259 NDFJHIIWATUBIZ-XBZVRZDZSA-N 568.723 6.352 50 10 KKGE CCS(=O)(=O)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500898 SLXAZUYZCFUSAG-ZETCQYMHSA-N 592.767 5.607 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(I)c(C)c2)s1 2142146767 ZXVBNBTWTRUYSE-ZDUSSCGKSA-N 516.036 6.054 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)Cc2ccccc2I)c1Br 2143867289 AGHQPVQENFHCKC-VIFPVBQESA-N 539.980 6.813 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2Br)cc1I 2213001178 PTEJBMRAUGTUNX-LLVKDONJSA-N 506.428 6.561 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237630818 ALRJGPAFSHEOAH-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@H]1C[C@@H]1Br 2256395470 ZHXRNCDOSHGCMF-QRQCRPRQSA-N 538.394 5.917 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1 2272742336 YCNNZQHEEMHIEG-LLVKDONJSA-N 519.803 6.737 50 10 KKGE Cc1nn(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277951791 AWHGAWNITHUNJW-NSHDSACASA-N 515.869 5.695 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293175996 FJJUQYWTTZEJOY-UHFFFAOYSA-N 673.082 6.335 50 10 KKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Br)cc1 2294146907 AALAHIWFYFBGID-UHFFFAOYSA-N 504.815 6.960 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(=O)c1cccc2ccccc12 2295459727 SDNUFXLYYIXPTD-UHFFFAOYSA-N 517.368 6.920 50 10 KKGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 2296849519 HHEIMEHHAMLTGK-UHFFFAOYSA-N 586.630 5.324 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OC(=O)c1cccc2ccccc12 2297491206 ZLHMEBGNNUPUHH-UHFFFAOYSA-N 506.514 5.702 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 2297555737 HQKJSCWBDSQEEX-UHFFFAOYSA-N 524.108 8.069 50 10 KKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 2297559147 UKTXMEIUOFNJBK-UHFFFAOYSA-N 517.463 6.891 50 10 KKGE Cc1cccc([C@H](Cl)c2sc(Cl)cc2I)c1I 2301085596 GJHDIFRQRNNCTL-JTQLQIEISA-N 508.977 6.247 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567939 PYGJAVBPYSJWNJ-UHFFFAOYSA-N 583.857 5.779 50 10 KKGE O=C(C=Cc1ccc(Cl)cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313864554 UHVNQOZPROOGFG-UHFFFAOYSA-N 538.623 5.258 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593633 QESRWSUPMHBDLQ-KPURRNSFSA-N 523.702 6.676 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593908 VWNKCIRAEPEIQL-AFMDSPMNSA-N 532.065 6.042 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 2314646806 PBWHEGIRXHFEHA-SANMLTNESA-N 669.557 5.227 50 10 KKGE Cc1scc([C@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2320489365 CBQQHHVDQSDODS-GFCCVEGCSA-N 521.869 6.967 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)NN=Cc3cccc4[nH]ccc34)cc2)sc(C)c1C 2321698151 QZLSAWZIHBHFAM-KRWDZBQOSA-N 532.622 5.193 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2cccc3ccccc23)cs1 2331339114 HVJHCQYPAJWZLQ-UHFFFAOYSA-N 521.041 8.702 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340066271 PZHCSKMIBKKPHV-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE Brc1cccc(Br)c1CO[C@@H]1CCCCCC[C@H]1I 2340566958 ZDVLMMQGSNDXQO-HUUCEWRRSA-N 502.028 6.255 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCCCC[C@H]1I 2341837240 JZBGBCDNBXRMIE-CABCVRRESA-N 549.028 6.097 50 10 KKGE Cc1ccc([C@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362238941 KGPYTPGIAINDDK-INIZCTEOSA-N 510.007 6.213 50 10 KKGE Fc1ccc([C@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362239164 KXCHGIOHNKERHT-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE O=C(NN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)c1sc2ccccc2c1Cl 3276255 LZHFEVZAHJJWRQ-LGMDPLHJSA-N 508.386 5.671 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1COc1ccc(C(=O)OCC(C)C)cc1 3584900 FUYIMKUUZWITQR-VTNSRFBWSA-N 526.589 5.710 50 10 KKGE CN(C)c1ccc(C=NNC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1 8398633 ALYIUAJVTVWBHX-SANMLTNESA-N 612.518 5.480 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br 14641122 DGOULXBQUXFSKK-UHFFFAOYSA-N 512.857 5.011 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2)CC1 29491730 DJLKTNLCMIMYQI-OOAXWGSJSA-N 623.735 5.357 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38650685 AISZRTPUKSCPME-HHHXNRCGSA-N 504.970 5.640 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655710 MYFCKISSRYQSHG-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678932 XMOOWMCPBBPZGP-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 38686772 CACXRNFIBZVVNP-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38701301 YMTVGRXTVOIYMF-NDEPHWFRSA-N 522.557 5.799 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C)cc1Br 40851022 ALHBHXOKOAAQAU-XDHOZWIPSA-N 512.787 6.468 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1ccccc1Cl 59460714 PUKIVLJZOPMTJK-XHPQRKPJSA-N 500.805 6.170 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2C(C)C)cc1Br 100173176 YRASLRKFBNCRMG-UHFFFAOYSA-N 550.519 5.246 50 10 KKGE COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC 100301635 PMMINZFTFARJFO-ZSNJKBEMSA-N 594.067 7.106 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335547 MDEHMWUNOJMVSL-RQZCQDPDSA-N 553.325 5.399 50 10 KKGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1 100451156 OYHWSNKBQRJOPT-UXHLAJHPSA-N 560.404 5.323 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2[nH]1 100883568 XRRYBHBCMZTJEQ-MOHJPFBDSA-N 528.015 7.712 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 101115350 GULAWOUAMSHNIH-SQFISAMPSA-N 521.758 5.448 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241254 WZJRKXRFCSLXGY-RAMZYJDASA-N 552.483 6.135 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101293334 MSJRRNMEDWCWRC-VWLOTQADSA-N 533.378 5.460 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101339407 TXXCBYQWEDXWHN-JVWAILMASA-N 502.549 5.779 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374449 LFHBBNULUKXLLU-WJOKGBTCSA-N 554.687 7.389 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101374778 WJQDBMHZECMBHT-XMMPIXPASA-N 618.555 6.552 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101375383 NHKQQIRYKNAFQB-DWAKBEJESA-N 594.752 8.179 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101375688 ORLCHIFHPDWQOU-SANMLTNESA-N 535.394 5.440 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381723 YZPSSXPZTJVSQP-UMSFTDKQSA-N 538.603 6.785 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1C 101382962 OGXOLXVHUKRHTH-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385407 TUNIGDSSGCDMDD-UMSFTDKQSA-N 576.649 6.402 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101385892 PSTBMBHZZZHPNJ-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386420 NNERLSFAAJQUED-JXNPFXPLSA-N 625.121 7.642 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387657 PSMKDRHBJSSYPN-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 101767797 ONMSLGVNHMIGPD-GFJMHBJRSA-N 545.861 6.225 50 10 KKGE Cc1c(Cl)cccc1N/C(SCC(=O)N(C)C1CCCCC1)=C(\C#N)c1nc2ccccc2s1 102931129 PGDSKEJMCFGYNZ-PLRJNAJWSA-N 511.116 7.087 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 103797340 KNWRWZHZWMSAND-XICOUIIWSA-N 594.509 7.567 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 105677844 YJRAKRWXBNHFRM-LSHDLFTRSA-N 517.386 5.469 50 10 KKGE O=C(C1=COCCO1)N(/N=C/c1ccc(Br)cc1)c1nc2ccc(Br)cc2s1 138964724 NIRHWZWNWHDTIO-LSHDLFTRSA-N 523.206 5.077 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(I)c1OCc1cccc2ccccc12 150643813 MOCNZUWJSLEEDE-XKZIYDEJSA-N 649.441 6.885 50 10 KKGE CCCCCC/C=C/CCCCCCCCCNC(=O)OO[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C 201249616 SBXVBMQJWNYKTA-CRZTYIBISA-O 792.113 11.525 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206694986 MPXLOWIDCLIQFC-YPVOTUFQSA-N 597.668 6.382 50 10 KKGE CCCCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccc(I)cc1C 217240382 FOFOJUMOWOSTSQ-PEZBUJJGSA-N 503.340 5.015 50 10 KKGE CCCCCCCCOc1ccc(OCC(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)cc1 252622571 NYIBGDFRDBUDAN-UHFFFAOYSA-N 567.524 7.297 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254380698 INAINLMJFHZGIO-UHFFFAOYSA-N 518.610 5.575 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 254507859 OLSCQTROFWLCQQ-UHFFFAOYSA-N 504.583 5.185 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC)[C@@H](OC)[C@@H]1OC(C)=O 575627462 RRWCFRRJDLLSIP-STSTVOBVSA-N 628.747 5.082 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2NC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616691783 NVNAXPUOVKQUAT-HHHXNRCGSA-N 512.887 8.203 50 10 KKGE C[C@@H](Br)c1ccccc1NC(=O)c1ccc(I)c(Br)c1 721572667 MPNUNDJUPYKKPJ-SECBINFHSA-N 508.979 5.762 50 10 KKGE O=C(NCc1cccc(Cl)c1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238565 VSBLBRCJSRQBNZ-HXUWFJFHSA-N 501.357 6.050 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 725404499 RUFFCYVSVZAUME-HSZRJFAPSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 725431150 YILLEPZQVCDTBH-RUZDIDTESA-N 671.359 6.938 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1083964309 LPKQQQZNQYJQGM-KDURUIRLSA-N 565.677 5.676 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 1084164863 OMYVQRFBHOPCJA-HSZRJFAPSA-N 576.406 5.372 50 10 KKGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084551719 VZSJWDSVBLQYGW-UHFFFAOYSA-N 550.464 5.136 50 10 KKGE CCN(CC)c1c(C=NNC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)nn1-c1ccccc1 1084648266 BRPXWCJHCNMQHM-UHFFFAOYSA-N 551.698 5.567 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 1554498773 NQNXYRDDEILACP-LINQRKBJSA-N 540.623 6.216 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440597 JVNXRONSSKAKGD-TUKFXPOBSA-N 572.947 9.442 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865686100 RDOGWXKYGCMOKT-HNNXBMFYSA-N 520.125 6.723 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865687013 HKLSYTYWXWKQGW-VWLOTQADSA-N 507.034 5.943 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCCc1ccccc1 1865688720 ZCUJFRUTRIOQEH-DEOSSOPVSA-N 566.967 6.393 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865691040 HSMTVKPQKWUTFA-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865692351 BAGIPECBIDPZIZ-NDEPHWFRSA-N 536.632 6.165 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865694581 XKJDHODXGFXNCW-AREMUKBSSA-N 560.576 6.455 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865695481 ORCNAFAOLHEMFD-VWLOTQADSA-N 547.442 6.531 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701165 OCIRCBVSVYNHKL-OAQYLSRUSA-N 566.253 6.037 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705360 TUPMAZVBHYUOGH-AREMUKBSSA-N 542.998 6.114 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)c1OCc1cccc(C)c1 1865706456 XGAYQSSVARPYSG-HHHXNRCGSA-N 520.633 6.320 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865706695 COSYQPQJPSDZAD-VWLOTQADSA-N 564.011 6.848 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(Cl)c1O 1865706997 LIHFVCYQSPMWJV-QFIPXVFZSA-N 519.388 5.838 50 10 KKGE Cc1sc(NC(=O)/C(C#N)=C/c2cccc(Br)c2)nc1-c1ccc(Br)cc1 1866131613 DWYWBKAXZZGPIW-OQLLNIDSSA-N 503.219 6.189 50 10 KKGE C[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866944922 VZQIJRQHGKPFSR-UUOWRZLLSA-N 554.535 6.183 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867134235 MGPCGRWZHLTMQA-URLMMPGGSA-N 584.539 6.910 50 10 KKGE CCC[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867218090 CTDJDXCNFNVIMA-SVBPBHIXSA-N 536.097 6.757 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(C(=O)c4ccc(OC)c(C)c4)CC3)n2)c1 1868505299 GKYCTNQNRFVANS-UHFFFAOYSA-N 565.699 6.885 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(C)c3ccc(OC)c(OC)c3)n2)cc1 1868528210 PUVBHWKHNKEREG-UHFFFAOYSA-N 513.623 6.644 50 10 KKGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)[nH]o1 1868544441 FTMQWHFGLVACGE-DEOSSOPVSA-N 553.692 6.084 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OC(C)=O 1872751508 LGISEDYUJVXKDN-SZMIEORPSA-N 504.608 6.556 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)ccc1OCc1ccc(C)cc1 1873496889 BFEJYZHAKWYXPS-BIZUNTBRSA-N 529.637 5.174 50 10 KKGE FC(F)(F)c1cc([C@H](Cl)c2sc(Br)cc2Br)ccc1Br 1922889411 YKPVUGGDRJOCNX-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)cc(Br)c2)c1Br 1922896051 BLJHIMFINDQSOG-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2csc(I)c2)c1Br 1922935452 PVCMNUOTIPJFAY-MRVPVSSYSA-N 556.908 6.732 50 10 KKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569609 XRDSZRZRFBZQGH-SVRRBLITSA-N 543.891 7.297 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924601306 WTCCOLBCAMTVSP-SECBINFHSA-N 617.220 8.244 50 10 KKGE C[Si](C)(C)OC[C@@H](CO[P@](=O)(OC[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C 1933242748 OABPYCCCPPLWNE-GAUFKDIZSA-N 607.067 7.122 50 10 KKGE FC(F)(F)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025779918 NBHMUEZFCMNITP-RXMQYKEDSA-N 568.645 7.125 50 10 KKGE Cl[C@@H](c1cc(Br)cs1)c1c(Br)c(Br)cc(Br)c1Br 2085493845 HSHVGMJHLSPYRK-NSHDSACASA-N 603.193 7.889 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2085495507 QXIOSXATTVUNDF-NSHDSACASA-N 587.125 7.467 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC2CCC2)c1Br 2123242974 CYIMBYNSBXMDFC-UHFFFAOYSA-N 501.284 5.643 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2scc(Br)c2Br)c1Br 2136368220 VOORMGRNYHKMKS-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Cl)ccc2Br)c1Br 2201078883 PIEZTPBKADKPLG-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2203821792 BLPSJWDQQMJZFT-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE Cl[C@H](C[C@@H]1CCC[C@@H]2C[C@@H]12)c1c(Br)c(Br)cc(Br)c1Br 2206395664 PIASGMAGUFKWKX-JXVAYASWSA-N 550.354 7.843 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398926 AHUBCVKLHSPZOU-PRHODGIISA-N 618.805 6.140 50 10 KKGE Cc1cc(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)s1 2213682829 YMQVGSLATKCVSX-SSDOTTSWSA-N 523.935 7.198 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1sc(Br)c(C)c1Br 2213771920 FANYOFBECFCNQO-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1sc(Br)cc1Br 2263451786 BFLATQBWDKPNRV-SNVBAGLBSA-N 538.324 7.321 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c1 2293198477 YDXANMUDTQGVCO-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NN=CC(Cl)=Cc1ccccc1 2293692942 WZCVUJGJGJPJGH-UHFFFAOYSA-N 508.434 6.062 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C=C[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293771958 DIMYHZDULFSWLS-QGYYROGPSA-N 641.142 11.150 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(Br)cc1 2294619925 MTCVIZAEXUPYBN-UHFFFAOYSA-N 556.254 6.653 50 10 KKGE COc1ccc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295337119 FUKOJYSJCKJNAO-OAHLLOKOSA-N 527.876 6.661 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506915 LJUZAORXYDSSQS-VWLOTQADSA-N 546.048 5.890 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790248 ZGQBJSHYQROQNP-UHFFFAOYSA-N 525.652 6.297 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccccc2)cc1 2296824111 FXRQJRILIPDTBJ-UHFFFAOYSA-N 574.548 6.862 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518660 NPLNXGAWVMPURB-UHFFFAOYSA-N 621.302 7.738 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545763 DHLXHJKCXUZMFK-UHFFFAOYSA-N 502.412 5.284 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2314532523 JZRLOFUPTFMMDN-UHFFFAOYSA-N 505.361 5.902 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591928 HWWHPXDMVOTKRS-VWLOTQADSA-N 501.583 5.598 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593321 LFJGDDYJKAFBJQ-RUZDIDTESA-N 536.484 6.353 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314616472 BMLHXGPJNDPOOM-UHFFFAOYSA-N 546.602 5.912 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314617458 YSLKMUQSVIPVMT-UHFFFAOYSA-N 520.633 6.051 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314617546 CAPYYOLPVOSAFD-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OCC)c1 2314736168 YFRGEXCFVSRHJV-UHFFFAOYSA-N 562.018 6.415 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc(Br)c1O 2320486425 MDYIZKIPGLKTPB-UHFFFAOYSA-N 559.467 5.091 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C(=O)OCCc2ccccc2)c1C 2329632701 BHKVRSOAMJLNKU-UHFFFAOYSA-N 502.592 5.487 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1OC 2331347144 ZCYGNWROCYBTGF-SFHVURJKSA-N 514.607 5.192 50 10 KKGE C[C@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331358876 XRWFBFAWGCHSID-OFNKIYASSA-N 507.615 7.005 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1scc(Br)c1Br 2335374297 PHFSATUQSHJDET-SECBINFHSA-N 576.732 7.966 50 10 KKGE CC[C@](C)(C(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336612547 GLFWZFPVNWCHSU-JQWIXIFHSA-N 592.736 7.854 50 10 KKGE Clc1cccc([C@H](CBr)Cc2ccc(I)c(Br)c2)c1 2349839954 BJSURNXWDQINPW-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2sccc2I)c1 2353040408 QMUWTSSVHKRIND-LBPRGKRZSA-N 516.036 6.171 50 10 KKGE CC12CC(C1)[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362901661 VNLMNUMRGAGGFU-IQSIOTSGSA-N 552.326 6.832 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2369056417 PWKIQQUNUCPPMO-JOAULVNJSA-N 596.821 8.245 50 10 KKGE ClCc1ccc(Br)c(Cl)c1OCc1cc(I)ccc1Cl 2380346639 QBXSUPYRYBPWHJ-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14649796 QYMTZXHPSTYORM-UHFFFAOYSA-N 524.415 5.264 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Cl)c1OCc1ccccc1Cl 33717152 YZDKMUARNMAFDE-PXNMLYILSA-N 514.321 5.740 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38660791 VHZWXTCPTSXZFR-LJAQVGFWSA-N 508.505 5.821 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1c(Cl)cccc1Cl 38679571 UUQHQCZTGZWAGU-QFIPXVFZSA-N 512.305 5.104 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 59335571 LTKPTQXBTVKMRB-GRSHGNNSSA-N 515.824 7.479 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 100186779 CZHZNLFFPRMRMS-UHFFFAOYSA-N 577.545 5.342 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(Br)c1 100288096 FWJHCKMEKQOUNS-QGZVFWFLSA-N 538.442 5.363 50 10 KKGE O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 100434085 IHFNITZSRAQSFA-XPGZBYHPSA-N 542.642 8.277 50 10 KKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1ccc(Br)cc1Br 100443023 KOLNYBIGSCNJKS-UHFFFAOYSA-N 534.333 6.439 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034023 FFMLFBHRVCRMLW-HYARGMPZSA-N 523.573 7.942 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101244013 HWUGKKJENZQXRR-RZYCCMLOSA-N 600.062 7.061 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246737 ZVEQVWQVIBTFRF-DBTLDAOKSA-N 534.037 5.812 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1F 101335940 BWTYBMGJSRJNIZ-KOEQRZSOSA-N 542.611 5.486 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101338134 DZVGBCUEIKYIMQ-TURZUDJPSA-N 577.084 6.816 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 101370250 XNLGJVOFWZBMOM-UDKPXMKSSA-N 529.434 6.584 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 101377935 XXRZDVQSAVYHPD-HKBQPEDESA-N 540.660 7.260 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc(OC)c1OC 101379742 YZXVYPWWQLZZLS-SSEXGKCCSA-N 599.039 6.382 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101388902 VPWHHHRNONBOMB-FFCRAILESA-N 597.042 7.294 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101390335 WWMCCSBTWHBCPL-QFIPXVFZSA-N 523.397 6.654 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101390834 HNIJMSMPBWBBPK-MHZLTWQESA-N 567.469 7.398 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)oc2ccc(Br)cc12 101393961 QDLZVRBRIPGEKT-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399325 GCFYZIASHKOIQA-WJOKGBTCSA-N 611.025 7.559 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1C 101766306 GULIPDUYQABWKV-OKCVXOCRSA-N 539.470 6.172 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(F)cc1 101906822 IIPUZMMCVZTNNC-ZDLGFXPLSA-N 517.192 7.002 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742891 GAAPAZQOAGJJRC-QPSWJSTDSA-N 552.881 6.476 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 104800088 UTCANOGVBNRJBZ-NDENLUEZSA-N 592.658 6.616 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 150411098 DHVVTNWZAHJFSD-DBPDFFNYSA-N 731.230 6.697 50 10 KKGE O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(SSc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2)cc1 150427222 OQXSJSPEIQOLBN-UHFFFAOYSA-N 684.858 5.899 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1OC=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1O)(c1ccccc1)c1ccccc1 195814852 CWKMLPNAHWLONH-ZTJXOPACSA-N 622.954 5.782 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 198742517 VBGCZICYPXEOMN-HNSNBQBZSA-N 537.019 6.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 205670880 VPXNSEBBJTUFRS-OIEUZEGHSA-N 576.624 6.949 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 235822888 LKHBEWANTITHCV-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1OC 252587676 ZTUQICPTLSMTBK-HYWYFEKYSA-N 521.485 5.403 50 10 KKGE Cc1cc(C=NNC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(I)cc1 252617442 KSWJREZYTAOWCS-UHFFFAOYSA-N 522.184 5.225 50 10 KKGE CCCCN(CCCC)C[C@@H](C(C)=NNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254383820 MNQLFXZDYAYTFH-BZKUTMRRSA-N 581.757 6.884 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 254556680 YMJSPEBHYWUHAU-UHFFFAOYSA-N 669.609 8.948 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254623113 IDFMXLHCZFGKRC-UHFFFAOYSA-N 532.691 5.357 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 254711302 LQBHBHZFCMJZOI-UHFFFAOYSA-N 514.581 6.710 50 10 KKGE CCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254712987 HZZWOEXVIBMPGR-UHFFFAOYSA-N 514.622 6.716 50 10 KKGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C(C)c3ccc4c(c3)Nc3ccccc3S4)c2)cc1 254835062 ZRVHRESBXHTLAX-UHFFFAOYSA-N 544.658 5.858 50 10 KKGE CC1=CC[C@H](/C(C)=C\c2csc(C)n2)C(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 255974467 GNAPAUDDSROWCR-MJAVBUSMSA-N 732.233 11.168 50 10 KKGE O[C@]1(C(Cl)Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 380981692 ISTHNDHHKHNGJB-MTHIIRNGSA-N 623.573 6.851 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 725404348 DIVZWWUVNOURCW-HSZRJFAPSA-N 637.312 5.995 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 725439114 MWKAQPSHABECRX-HSZRJFAPSA-N 511.416 5.309 50 10 KKGE O=C(N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl 888086000 RNCKSVHRHGEVDE-SVBPBHIXSA-N 565.453 5.925 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 1082990629 LWPOUXMFWLUFSS-UHFFFAOYSA-N 612.111 6.997 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1)S(=O)(=O)c1ccccc1 1083950151 UKCCURLQTZGMGL-UHFFFAOYSA-N 658.607 8.040 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083998387 HWOPXBKSJHCNBH-UHFFFAOYSA-N 601.122 7.260 50 10 KKGE COc1cc(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 1084121276 WCPXJTKENMJVSI-UHFFFAOYSA-N 537.616 5.125 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1c(Cl)cccc1Cl 1084209952 BLXVWWLXIZDSEA-DHDCSXOGSA-N 522.215 7.433 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1 1084428184 MPCCEIIEKOQMRB-UHFFFAOYSA-N 529.662 5.459 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(SC)cc2)cc1 1084579303 WBJIOOVIZDJNBO-UHFFFAOYSA-N 551.612 5.172 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 1084627517 AVVXMXVPZATTMR-UHFFFAOYSA-N 543.417 7.090 50 10 KKGE O=S(=O)(/N=C1/c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1 1542993180 IRHPAVCNBONRKT-MYYYWZMKSA-N 665.212 5.890 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 1614611877 LVQSCLBKGHGMFF-ABMYFQEWSA-N 554.597 8.375 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745999 NOUPIVKSCFRGCM-UHFFFAOYSA-N 536.548 6.634 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(C=NNC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 1772754919 XTRPWMXOQSZDOF-UHFFFAOYSA-N 550.149 7.582 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865684803 YSIRNUYIZBPTER-OAQYLSRUSA-N 505.361 5.778 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687924 DEAPOGBOBKFYGI-HKBQPEDESA-N 542.639 6.436 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865687939 DMQKSUYXJILZHG-NDEPHWFRSA-N 536.632 5.817 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865690765 ALIDYUJIVLNWHV-NDEPHWFRSA-N 555.078 7.379 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865693075 RFFQSLMJVCBKKI-XMMPIXPASA-N 537.458 6.047 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700683 BCWYTEJNTKZDQG-MHZLTWQESA-N 563.460 7.127 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865700848 GAEXJYDGZNTQFS-AREMUKBSSA-N 533.415 6.293 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704485 XCFPVPRACYYNEW-MHZLTWQESA-N 532.003 6.385 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704939 ILVMCRCBSKPDPN-MHZLTWQESA-N 506.606 5.939 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714018 BARAULZVFCGKHQ-IBGZPJMESA-N 514.221 5.568 50 10 KKGE Fc1cccc([C@@H](Cl)c2sc(Br)cc2Br)c1I 1922886030 JVAWKOSAAJHGFB-SECBINFHSA-N 510.391 6.345 50 10 KKGE CCC[C@H](CC(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605726 WFQMKBDXNIXPLT-PSASIEDQSA-N 525.970 7.934 50 10 KKGE Clc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924613989 VMGBSPZQBICAPH-LURJTMIESA-N 530.326 7.235 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1csc(I)c1 1925569388 SUUOIMKPGOUXEO-LURJTMIESA-N 532.875 6.968 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Cl 1925601668 XFFLRAUDQQRYEY-SECBINFHSA-N 528.318 8.026 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2scc(Br)c2Br)c1Cl 1925618437 PXGYGDDVIDZESO-RXMQYKEDSA-N 520.320 7.779 50 10 KKGE C[C@@H]1C[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997173511 KYYUAXXIHAXWAO-QYNIQEEDSA-N 511.899 6.287 50 10 KKGE CC1(C[C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 2003177650 YTENMHWVDBWGNG-ZETCQYMHSA-N 509.927 7.442 50 10 KKGE Fc1cccc(C(F)(F)F)c1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242959 JETUQXRZEORTHY-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE COc1c(C(C)(C)C)cc([C@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@@](=O)C(C)(C)C)cc1C(C)(C)C 2080762718 VLCGVEPBXGGMMZ-ZMGXZPAESA-N 760.037 10.963 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3sccc3I)cc(Br)c2O1 2090468629 XTIGEIKZRHULEZ-JMCQJSRRSA-N 514.020 5.923 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2138852531 ODPBCIRKCPQIOF-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1c(Br)c(Br)cc(Br)c1Br 2141480034 QMBNHZIRPNYPDV-FQEVSTJZSA-N 624.392 8.644 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1cccc(Br)c1Br 2148754424 ZMYVXMODYUDUBX-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)cc2Br)c1Br 2201068221 DPEGHOKLRKXYPG-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206397247 HCCYKPXCQSAMQD-LLVKDONJSA-N 594.736 7.668 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397578 KWWLAZZYHLSCTG-VXGBXAGGSA-N 560.296 7.842 50 10 KKGE C[C@@H]1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206398830 ZJQYPKGXIRYNTO-NQYJQULFSA-N 598.793 7.376 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2207098809 YWGFKWIPNUXVHB-CQSZACIVSA-N 658.191 7.978 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)cc2I)c1Br 2207263509 YNZHYXUIFLMACD-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1sncc1Br 2213490672 UZJKWDABFGKSBR-VIFPVBQESA-N 508.830 6.054 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2scc(Br)c2Cl)c1Br 2246465804 DVABSLMTXAIZCN-ZCFIWIBFSA-N 544.353 7.543 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccccc1I 2263512768 FOGSNPFOQFQIPV-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(F)cccc2I)cc1Br 2267737521 HEMMCCYHKIVAAC-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc2sc(Br)cc2s1 2278022868 DXZXEEJYPFVKOJ-CYBMUJFWSA-N 501.490 7.579 50 10 KKGE O=C(CCCCCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)SC1=S)NNC(=O)COc1ccc(Cl)cc1Cl 2297293644 WKHQMIXWJCJKIK-UHFFFAOYSA-N 621.395 6.288 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4n3C)c(Oc3ccc(Br)cc3)nc12 2297318715 NFIYJIAKFPUOQD-UHFFFAOYSA-N 512.367 5.509 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 2297458719 ZTEMVFHRWQTNAX-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(Br)CCC2)c1Br 2300173151 ANPQUNLKDOTJMH-SNVBAGLBSA-N 514.252 6.758 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521384 KDWQYIYSLKGDLM-UHFFFAOYSA-N 591.199 6.614 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1Cl 2313568610 XAAZUSCZIIIXRE-UHFFFAOYSA-N 566.883 5.946 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)OCC 2313570941 JPEWPSWOZJHODN-UHFFFAOYSA-N 503.382 5.608 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314488087 IUSDCHODCBCOTJ-UHFFFAOYSA-N 512.572 5.455 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591986 IXMUDAWPEHKNHT-VWLOTQADSA-N 546.490 6.439 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592967 FEDFXTFTRDBDQJ-DWACAAAGSA-N 525.674 6.006 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593636 QESRWSUPMHBDLQ-ZTOMLWHTSA-N 523.702 6.676 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617492 ZHAFBZHKYBXSOH-UHFFFAOYSA-N 586.648 6.095 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314620730 TXQAJSWAILRKNR-UHFFFAOYSA-N 655.154 7.615 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2314643178 GHWDXIUDFQFFHF-YTTGMZPUSA-N 583.471 7.718 50 10 KKGE N#CC(C(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12)=C1Nc2ccccc2S1 2320729528 BQLCCZCAFYBCSM-UHFFFAOYSA-N 537.489 6.735 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)OCCOc2ccccc2)c1C 2329699446 YSKQKOBPAMQABR-UHFFFAOYSA-N 583.460 5.777 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c1 2331319353 KGYXZXJMFVIFHK-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 2331364123 LEWRZMGPHKLGNL-JTQLQIEISA-N 516.233 7.692 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCc1ccccc1 2331463647 XKUBNZIJJZYGLS-UHFFFAOYSA-N 510.659 7.902 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)n1 2331474412 FSSXFLITGQMMDS-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336042568 AJVOZPJULBFHFQ-HXUWFJFHSA-N 519.035 7.911 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2364052501 ZHPXUFVVKRZKKV-SSDOTTSWSA-N 574.695 6.638 50 10 KKGE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1 8399484 CQICPJUIJVNKQQ-SANMLTNESA-N 593.934 6.809 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38606648 JPTSCNOUMBUVSD-MFKUBSTISA-N 512.585 5.394 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1 38660019 HKBGYIBYFVILQE-PMERELPUSA-N 518.569 6.020 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1 38678810 DISVRUPSCWIZDY-VWLOTQADSA-N 505.368 5.269 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38685569 GHHQXLPWKZHAGY-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701168 OZTHYMUIVAUBNB-GDLZYMKVSA-N 522.601 7.056 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)o1 100392613 MILXBQSATDSKKT-KKMKTNMSSA-N 547.192 6.625 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccs4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 100919878 RSAQOEBMMJPDMA-HAVVHWLPSA-N 565.676 7.933 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241111 WWGDWHMRAVLOCD-GOHCDNDPSA-N 538.456 5.745 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242313 ZIHUSRLKIKDYFR-AEPTXUNZSA-N 528.417 5.338 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242495 DEHYCCOZDUYAEA-HVBJHMBASA-N 542.444 5.728 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 101245543 LNWKQBQOEFXMCG-IYQUHZLLSA-N 550.511 7.490 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101335864 DMVJUMZBYXDUFO-LFVJCYFKSA-N 545.437 5.321 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101337656 PJQQHUFVIMTCJE-PCEWRDAZSA-N 542.639 6.600 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101367868 NHDVGROBNPFBHC-JOCHJYFZSA-N 590.501 5.772 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101374951 GHHIWSDXUUUPFW-WIZGORBTSA-N 593.507 7.654 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101375080 LTOUHVBAQJKZEV-UMSFTDKQSA-N 562.666 7.030 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387894 IXLXSQITCKGNIS-PGUFJCEWSA-N 590.676 6.792 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101388695 FXDANHAJCWDDAA-PMERELPUSA-N 571.004 6.894 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 101391761 LHQWHTDPAYIEHZ-FQEVSTJZSA-N 538.368 6.554 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)oc2ccc(Br)cc12 101391907 MWMUNWXJLWVFDZ-HSZRJFAPSA-N 546.333 5.849 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101392556 MTAPAJPPAMWBEY-AREMUKBSSA-N 530.964 6.158 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 101398527 UDCAKDOWDRLYCO-NDEPHWFRSA-N 607.877 7.672 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)oc2c1C 101398713 KBCYXPIHOLUICK-WJOKGBTCSA-N 574.608 7.514 50 10 KKGE COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC 102420769 JJJVYWCGNNCFQJ-KAMYIIQDSA-N 510.369 5.673 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1C 102667112 GDWUGSKWISOTSW-MAIZJUNESA-N 522.457 6.675 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)c(Cl)c1 103533887 WBOVNEGNAMDSJI-KBKYJPHKSA-N 524.198 5.813 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741772 BRKSDBDBQJQZGM-VLBGROSNSA-N 542.842 5.438 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 103879534 VNEFSLHXZZWLRV-PNQUVVCRSA-N 596.692 7.897 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 103887323 ALRIYSUDGUEOBZ-NVMNQCDNSA-N 571.225 6.553 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C(/C=C/c1ccccc1)c1ccccc1 104588285 YZPNVCJJMMMBMA-JSJZCPQQSA-N 528.244 6.133 50 10 KKGE Oc1ccc(C[C@@H](CI)C[C@H](CI)Cc2ccc(O)cc2)cc1 105427699 UEMOIPGZQHIYDB-IAGOWNOFSA-N 536.191 5.376 50 10 KKGE O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 105626960 DKGMEGAULXIKDE-DXJNIWACSA-N 556.416 5.613 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128877837 FAYNOIFOXOIGHB-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCC(C)C 150409994 IIZLXEURFVCTRQ-UHFFFAOYSA-N 666.230 5.422 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 150477998 DQTWDGPZLLTXIB-WJOKGBTCSA-N 649.958 8.842 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682112 MYCARRQNTBVVPF-YSQKDFNPSA-N 521.295 9.920 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 206289019 YNACPPZKBKEKDE-DRPBVWSQSA-N 546.620 6.036 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 206406947 NBJCVWZNOYIUON-JLPGSUDCSA-N 508.530 5.163 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 214400193 LVXLQQUHVFGSOC-VEILYXNESA-N 576.628 5.921 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\[C@@H]1CC(=O)OC1=O 216260800 MMUXFLFWXVPEEM-BKGNHSMPSA-N 518.867 11.185 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254407305 IBYXFABYCDIKTE-UHFFFAOYSA-N 513.667 5.791 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 254629782 CCOKHOSKUMKPNJ-UHFFFAOYSA-N 573.671 5.019 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=NNC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc1 254702513 PYBDNCVHYIRMFN-NDEPHWFRSA-N 591.527 6.310 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 254712112 AJBRDUIHLJKFNW-QOBOQGDNSA-N 645.941 6.309 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2OCC)cc1 254824765 QZACQWYRNCVWSH-FQEVSTJZSA-N 635.739 5.545 50 10 KKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(CNc3ccc(Cl)cc3C)n2-c2ccccc2)c1O 254873783 IIYJMGCHGHXGHG-UHFFFAOYSA-N 547.084 5.518 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 382008380 SVOXNMGFYWJYQE-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE C/C(=N/NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408854 DRUBVNFLJNKMHF-KSEHBUITSA-N 540.664 5.057 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O 575416030 OIGMHIMRSGHQEE-LSLDCCDPSA-N 926.263 6.456 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(I)cc3)c2O1 720054225 UBSJXNFZOMJRSX-BJOHPYRUSA-N 507.991 5.861 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(Br)c1 721589267 SDQBZFYNCHRNNH-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@@H]2OC(=O)C(=C)C2(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725238200 MBCRGJKIPSDITL-GDUASZOKSA-N 683.179 11.720 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 725410046 HYYZHQXEAHJADF-HSZRJFAPSA-N 501.410 5.935 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 1083965813 MRPDQQPIPRAESF-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083988428 FVPWIPJXEACSAU-UHFFFAOYSA-N 603.959 6.396 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083991433 GWVZGXGVDQEQME-UHFFFAOYSA-N 597.568 6.870 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)o2)cc1 1084012814 BCKKJHQDMTWHKW-UHFFFAOYSA-N 559.644 5.086 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 1084102185 JBPYLJOTWMTXAI-UHFFFAOYSA-N 535.516 6.293 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 1084120480 SYUIQHUTDUUURA-UHFFFAOYSA-N 520.181 5.291 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(I)c1 1084324297 NTVUGFIVKMFPBE-UHFFFAOYSA-N 535.179 5.397 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084448231 XYXJDWGJIFESDJ-MKMNVTDBSA-N 531.177 5.181 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1084525067 ARBADXVBZVOSMA-UHFFFAOYSA-N 640.589 6.934 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084600497 BITUMXIKALQMHA-UHFFFAOYSA-N 660.536 5.672 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1 1084629499 BSVGVFKVXGRJCZ-MHZLTWQESA-N 551.481 6.119 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1 1084647603 VDTHCXALYWTEMS-WPWMEQJKSA-N 537.457 7.764 50 10 KKGE C=C(C)[C@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 1565536203 PKAPKLCGHVIAEA-DJDHFWBBSA-N 598.869 6.889 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c(OC)c1 1772747384 BFRGHKVJEBENRC-UHFFFAOYSA-N 537.616 5.846 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684927 BTKAKFOOVCOILY-QFIPXVFZSA-N 504.924 5.757 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865686975 GPUHHPHTRNKJBD-XMMPIXPASA-N 516.960 5.632 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865692099 IZIFRWJLLYMASZ-QFIPXVFZSA-N 578.294 6.656 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865692369 LOPLATBORXKLFW-XMMPIXPASA-N 537.458 5.716 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865696028 WLYARLKPKJTQDW-WJOKGBTCSA-N 556.666 7.488 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(Br)c1OC(C)C 1865697185 OVIBRFMRARJVFK-QFIPXVFZSA-N 527.394 5.155 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865697366 QRDNEMHCCKKPRK-HSZRJFAPSA-N 509.404 5.349 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700661 AMPJQXZKHBQREI-SSEXGKCCSA-N 547.058 7.429 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702823 FZPLGNLAZCBADM-SSEXGKCCSA-N 569.105 7.042 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Br)cc1 1865702902 HWNUWTLQAKHBAS-RUZDIDTESA-N 557.448 6.317 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703239 QYOHHXOWWQJMDI-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703375 UWVNHGOIEMCQFS-SSEXGKCCSA-N 547.058 7.429 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705228 PAAHGPCGHKJHLA-MUUNZHRXSA-N 555.078 6.652 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866729609 QIJVAVKRKSPMNS-IZLXSDGUSA-N 585.682 5.206 50 10 KKGE CSCC[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866976592 FGVFETBNNTUJEJ-NHCUHLMSSA-N 520.518 5.638 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4Cl)cc3n2)c2ccccc2)cc1 1867201118 WWEDXMLESOVECY-LJAQVGFWSA-N 579.085 6.610 50 10 KKGE CC(C)(C)c1ccc(CC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)cc1 1868365128 LMGNTVWCPCCKRW-UHFFFAOYSA-N 533.745 8.217 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H]1c1ccccc1 1868414771 PZVZQCIKRPQHCO-RUZDIDTESA-N 513.070 6.607 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456421 NVVVQWILXSUDFR-HXUWFJFHSA-N 511.582 6.322 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OC 1872795007 IDIGTXYCTDRCSO-GZTJUZNOSA-N 521.436 7.206 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1sc(Br)cc1Br 1922937312 AYAGFPLRXXDNFP-VIFPVBQESA-N 507.842 6.659 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccccc1Br 1923050196 RDIGTGJFMCIPHN-QMMMGPOBSA-N 524.297 7.173 50 10 KKGE Brc1cnccc1C[C@H](Br)c1csc(Br)c1Br 1924020306 FSIOEURYHQBGOM-QMMMGPOBSA-N 504.867 6.109 50 10 KKGE CC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924583437 JZSGDSSCAABNHB-QXUHLLMWSA-N 509.927 7.298 50 10 KKGE Cn1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)n1 2005279464 OUVNYMZABWMMSW-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE N#CC(=CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 2041576594 JLYSFHKVBLHRSM-UHFFFAOYSA-N 514.312 6.450 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085493080 WYOONAUFURHORL-LBPRGKRZSA-N 538.324 7.435 50 10 KKGE C[C@@H]1CO[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493598 DPQMBARWNLMXMP-PTOCZWBJSA-N 570.739 6.598 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)c(Cl)cc2F)c1I 2097834224 JORJWHAQGXBJMZ-ZDUSSCGKSA-N 518.389 6.639 50 10 KKGE CCOc1ccc([C@H](Br)Cc2ccccc2I)c(Br)c1 2143867769 GXTCWNQTEFVZPH-CQSZACIVSA-N 510.007 6.131 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cccc(I)c2)c(Cl)c1Cl 2224304719 MAGJLHVRGSHENM-NSHDSACASA-N 555.262 7.498 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(I)c1 2238077350 SNAZWCMKBZFLTR-CQSZACIVSA-N 572.860 6.235 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268275605 GDUGJFRVJJBHSB-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2286462667 OJWYTKQUSQTNSY-CQSZACIVSA-N 505.834 7.450 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 2293198388 DULDPRWAVJCCCT-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 2295172601 IXRJDIPMMLURCD-UHFFFAOYSA-N 545.079 7.708 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2295196146 XSLCAMPVVCGIBH-QRQCRPRQSA-N 522.270 6.937 50 10 KKGE CCOc1ccc(C=C2CN(Cc3ccccc3)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 2295959113 NIMAEIGAJWYFAX-WJOKGBTCSA-N 519.645 6.145 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458624 MNYNVDGISUUWMN-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE COc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2297748088 GAVCTEAUCXGDSL-UXHICEINSA-N 547.080 5.108 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2300997384 HJPWFIJHVLMABA-JTQLQIEISA-N 573.846 6.748 50 10 KKGE Cc1scc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2303644357 QIRWWEIFNGMINO-LJQANCHMSA-N 531.107 7.645 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(C(=O)O)c1 2313556421 ZTKANNZIXAIDAF-UHFFFAOYSA-N 544.007 5.763 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591709 BONNJHIABHZPAD-VWLOTQADSA-N 502.039 6.276 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591789 DZCQYYBFZIARIX-HHHXNRCGSA-N 511.647 6.076 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592355 RQKZNTYUEZXWPX-VWLOTQADSA-N 536.484 6.929 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617322 VYPXKNBKPPUKQB-UHFFFAOYSA-N 572.734 7.266 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314617406 XRQUTXCXSHGVNL-UHFFFAOYSA-N 508.574 5.465 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314618088 HBVSOKDASHCIAL-UHFFFAOYSA-N 586.692 6.526 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2314619535 AQUKVDPRYVWRPG-UHFFFAOYSA-N 503.385 6.365 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314619959 IAJIRMXIOIPIIA-UHFFFAOYSA-N 563.057 6.774 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634649 SRSMXIKLDFNKRA-PMERELPUSA-N 510.590 6.020 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)co2)c1Br 2315446747 WWSIWFHAJSIMAT-SECBINFHSA-N 526.219 6.844 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)sc1Cl 2317956317 YIMDRPMMEDBXDQ-ZCFIWIBFSA-N 515.901 7.134 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl 2321706252 FUBLIGQOBHWMIJ-UHFFFAOYSA-N 503.382 5.509 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2358265165 MHTILAHWXYDWCL-BVFFNITLSA-N 594.761 6.596 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(Br)c2Cl)c1Br 2362220960 SOJODPLWOHSUJG-SNVBAGLBSA-N 570.703 7.904 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2365595014 FQQHKZMOTIWVNT-CQSZACIVSA-N 550.843 6.853 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1I 2365596150 ROURJTRNFKZPRY-LBPRGKRZSA-N 597.285 7.401 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@]1(CBr)CC1(F)F)c1cccc(Br)c1 2379986931 ZQHDXVPYEDAOQX-GOSISDBHSA-N 512.233 5.591 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665496 NHIKGJHXMFASRO-LJQANCHMSA-N 525.443 5.424 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccc(OC(F)F)cc1 33725385 JBTRUMZNDUORGH-FZBYNPQBSA-N 522.508 5.048 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 35519566 WNTIBKLLMQGBLQ-UNOMPAQXSA-N 500.511 5.939 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 38650903 DQZNAOAKSPQYFH-GDLZYMKVSA-N 504.542 5.712 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651500 YVLJRHDTHYVAMN-DEOSSOPVSA-N 505.368 5.269 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651702 ZCEIZPFBNCKXAZ-FATZIPQQSA-N 509.331 5.179 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1 38658143 LTNXNXJQMRWWFF-GDLZYMKVSA-N 510.590 6.258 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 38700625 FFGUMNGHOYIBFO-SANMLTNESA-N 518.953 5.359 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 40530394 GDBXUTPNSCXYMS-MUUNZHRXSA-N 508.574 6.584 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3cccc([N+](=O)[O-])c3)c2C(=O)OCC)cc1 40882552 JBJIFFDLIXFVKF-XSFVSMFZSA-N 519.579 6.225 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(F)c1 59304200 SXSTYGWGSIBRQZ-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 97499147 XLCMCGLGYXOXCW-MTJSOVHGSA-N 502.368 5.844 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(I)c1 97896157 FJAPRKGHQXSXEK-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914623 NCSLPCSBCPSBEU-MHZLTWQESA-N 501.067 5.550 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100186663 BKORMIXVRKYLCJ-UHFFFAOYSA-N 568.537 5.876 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 100233573 BJXAHCOAXITGDQ-ZUKORFBESA-N 599.478 5.518 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 100237280 YIGPSRSNDIAGLC-XSKYCKKESA-N 546.407 5.843 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccccc1Cl)[C@@H]2Br 100922173 FIUAFQLBQOVQDG-DQYPLSBCSA-N 528.510 5.642 50 10 KKGE CCCCCCCCOc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC 101118272 MZJNYIDHKXVVFG-UHFFFAOYSA-N 502.266 5.273 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1OC 101339355 ZVIGTZDRALSILJ-AFUMVMLFSA-N 577.464 6.425 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 101340243 GIIVWSPESGXMRN-VUTHCHCSSA-N 607.110 6.825 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 101370432 XAPDNFXAJZQKGY-MRDQGFSESA-N 533.422 6.164 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 101371145 ZTSHCKCXEVONGN-DXSBJVNVSA-N 515.755 6.623 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374397 DPWZJIIQGQLXEP-WRGVRERRSA-N 542.632 5.883 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101392072 XJACFASFYCDFPZ-OAQYLSRUSA-N 536.198 6.746 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1OC 101392646 YKHDUEOGKUSLFN-RUZDIDTESA-N 530.964 6.158 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101394174 ZCWCHFTXASFFRL-XMMPIXPASA-N 581.477 7.443 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)c(C)c2cc1Cl 101394505 UDPSZUYIHZIACO-QHCPKHFHSA-N 523.347 6.933 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(Br)ccc6c5C)ccc43)c2)cc1 101398313 BIGNBNHRLACGSL-HKBQPEDESA-N 621.487 7.829 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1F 101399416 LIWPZPHDNQVEGO-HKBQPEDESA-N 576.580 6.905 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611796 IFTZWYJBVXAVQZ-UXHLAJHPSA-N 555.245 6.690 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c(Br)c1 101619942 PBSZMIXSMQSLPW-AWSUPERCSA-N 562.464 6.674 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C)cc1 103796486 TZJDOAWWMKZESV-FJEPWZHXSA-N 582.292 7.338 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 105067427 XKLYCBHEUPERHE-GZZLJNBRSA-N 523.718 6.542 50 10 KKGE FC(F)(F)c1cc([C@H](Cl)c2cc(Br)ccc2Br)ccc1Br 124599504 SUCSZHUNIPLNLR-ZDUSSCGKSA-N 507.369 7.321 50 10 KKGE O=C(CSSCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 147931328 YKPOANICZMCXBC-FMWAKIAMSA-N 540.674 8.476 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(SCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)n1-c1ccccc1 159338001 NUMFDEYEGDIUCJ-XKJRVUDJSA-N 677.912 5.302 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 163261444 WNCJYGLCPVCBIY-GOTRBWPWSA-N 626.693 6.815 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195863726 YZHKRXBIMOGRMG-PTGPVQHPSA-N 610.037 7.109 50 10 KKGE in-vitro C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 196014969 WBUHPAHBCMHESO-FLJNKPCASA-N 575.039 9.815 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 214363725 HHLVVVAVFXQAOR-BRPDVVIDSA-N 534.660 6.643 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1I 235927987 VQGRTPTWBAOLFX-CYBMUJFWSA-N 518.389 6.639 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccccc3)n2-c2ccc(OC)cc2)cc1 254745009 GYVPSAGCDCRSSL-PEHBOLBXSA-N 513.623 5.249 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 254790059 BFGNCYYIONLKLT-UHFFFAOYSA-N 600.631 5.799 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]2Br 261366726 CHZRDFREJJMGHM-UVBJJODRSA-N 548.928 6.618 50 10 KKGE COc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382708740 WAQBLILSAQLUEA-QAPCUYQASA-N 530.200 5.245 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1sccc1I 385719940 MTBDTFWGZSIKOC-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 504203712 KNWRANWQYPIVSF-FJENPTDISA-N 641.540 5.967 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc(-c3sc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3C(=O)c3ccc(OCCN4CCCCC4)cc3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575346884 YPNOPKDREFSCOE-HXSDOOPWSA-N 904.120 8.120 50 10 KKGE CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 888086583 LBWTYBJDVVQBIH-GPARJJCGSA-N 787.131 7.506 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 1083946752 IFDIZDQZEAOAEY-UHFFFAOYSA-N 564.643 6.589 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1cccs1 1084024468 XGSGAWUFUJIAGL-UHFFFAOYSA-N 534.435 6.106 50 10 KKGE COc1ccc(C(C)=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1084068480 IMJGMQPKPQUJFA-UHFFFAOYSA-N 520.438 5.046 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)c1 1084130488 BAROTXAWKNLOKE-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1 1084158527 KKBRJKBPONFXPA-QFIPXVFZSA-N 627.704 6.250 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084250274 PWHWBBDLURBQFZ-UDWIEESQSA-N 697.198 7.195 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(Cl)cc2)cc1 1084263411 UWNLYEMJZTVRKF-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(C)c(C)c2C)c2cc(Cl)cc(Cl)c2)cc1 1084497839 ULOBLWZGZHQQPG-UHFFFAOYSA-N 518.466 5.573 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(O)c(I)c2)cc1 1084572792 DTMQLEXUZISAQH-UHFFFAOYSA-N 647.254 6.131 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cccc(Cl)c1 1084597125 BNCWQCODUQZOOO-UHFFFAOYSA-N 516.873 6.639 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084651764 DNJOKDVTZYVKEF-UHFFFAOYSA-N 616.612 6.419 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1 1084656428 NNNDDJYHEUPNSS-UHFFFAOYSA-N 730.444 8.891 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746882 BGDLOQFFTGPNCT-UHFFFAOYSA-N 559.420 5.049 50 10 KKGE Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772754932 AQBCOWGLYUHONU-UHFFFAOYSA-N 586.964 7.356 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 1772755909 UPXRUDTZKQPOIP-UHFFFAOYSA-N 528.241 5.143 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1O 1865681961 BUKVRPUZYDYGJO-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccccc1 1865687022 HNVRNYNXCZROKD-HSZRJFAPSA-N 518.495 5.697 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1865689026 IEJONBBIHDAORH-AREMUKBSSA-N 567.860 6.947 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865689754 DYBBUOAFGVFTNF-HHHXNRCGSA-N 559.041 6.797 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865693509 ORWHSYHJILSFRJ-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1O 1865695430 CFSGRZHPSMLHGI-HNNXBMFYSA-N 541.711 5.239 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697399 RIXLZVIBMRAWPH-XMMPIXPASA-N 527.452 6.205 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865702620 CCZYYNDKVCKHLN-RUZDIDTESA-N 512.997 6.208 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703757 FCFQEKILAKVERU-SANMLTNESA-N 500.961 5.830 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)c1 1865704090 MWXNYQQTACPVIV-JGCGQSQUSA-N 526.640 6.807 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1OCc1cccc(C)c1 1865704710 CFZFKMSGNFPLPQ-PMERELPUSA-N 554.650 6.713 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704808 FGKAYBILIXTCHL-JOCHJYFZSA-N 550.924 6.041 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865709618 YJRSHWMLKRMVFS-NRFANRHFSA-N 503.345 5.762 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(OCc2ccccc2)c1 1865711801 IHMBGLQZVQKTHU-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866128123 YMYXJTWPOWWQTD-FOWTUZBSSA-N 513.388 6.211 50 10 KKGE CCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866683957 IKGDGOAAZFRBQA-UFNWUFBOSA-N 527.646 5.517 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034049 QPZKFFLJKFFJKN-FCHUYYIVSA-N 556.486 5.549 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1868300272 ALXVYMBMOLUWGS-HHHXNRCGSA-N 546.700 6.450 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1)C3 1868301520 RDCWRSSJWPOOLG-UHFFFAOYSA-N 518.646 6.821 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)n2)cc1 1868320140 CMRUGYMXCRQGMU-UHFFFAOYSA-N 545.716 6.615 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)nc(-c3ccccc3)n2)cc1 1868365746 WHDWRQIKTHFONL-SANMLTNESA-N 525.081 6.533 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3C(C)C)n2)cc1 1868528334 QRBCEQXIPMTNMO-PMERELPUSA-N 521.690 7.619 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4cccc(Cl)c4)CC3)n2)cc1 1868544478 GSXASEPYGLOBIJ-UHFFFAOYSA-N 570.162 8.459 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc(O)c2cc1OC 1872727511 GPTFCLLNFRVPBT-RQZCQDPDSA-N 508.361 6.303 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1872756873 FLGDETKOSYIGBH-MNDPQUGUSA-N 508.814 6.310 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758867 USEPPMRWUJKQDG-YDNWMEBPSA-N 505.426 8.202 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873920339 DKZUCZGSENNVRW-SSQDWCNBSA-N 503.580 5.331 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cscc1OCc1ccccc1 1899881634 HFJHISSZERQBLM-RUZDIDTESA-N 544.308 8.153 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915294306 XEUPKZMARFKSKO-AWEZNQCLSA-N 524.116 6.335 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccccc1Br 1923050195 RDIGTGJFMCIPHN-MRVPVSSYSA-N 524.297 7.173 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]32)c1Br 1924616370 OBDVUBJWTWHBEV-XZMZPDFPSA-N 507.911 6.908 50 10 KKGE FC[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779794 LSLHVNKOXZPZCS-PIICZHFCSA-N 514.252 6.622 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cn(C)nc2Br)cc1Br 2052971624 PZGFDBUHKWFCQU-LLVKDONJSA-N 501.842 5.500 50 10 KKGE Cl[C@H](C[C@H]1CC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2086422856 YMDUOYRBMUMALM-IMTBSYHQSA-N 522.300 7.207 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1Br)c1cccc(Br)c1 2092335665 PJDYTHSMXBFRSM-GFCCVEGCSA-N 511.877 6.695 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141472405 CZANJVIBQXKYPL-QWHCGFSZSA-N 584.766 6.989 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)c(Cl)s3)c2O1 2172558741 AGAHOEMMWXPZJF-QTTZVWFDSA-N 501.465 6.734 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(F)cc2I)cc1Br 2202353970 VDOUCZLQSPHPAH-CQSZACIVSA-N 534.388 6.339 50 10 KKGE Fc1ccc(CO[C@H](CI)c2ccccc2Br)c(Br)c1 2206269032 TUPCLRIEYLZASL-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE C[C@H](C1CCCCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206403214 XVOXBCZTVOFTST-AMIZOPFISA-N 596.821 8.389 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206405250 IDKGNGIPEHENIJ-AWEZNQCLSA-N 548.294 7.073 50 10 KKGE Fc1cccc(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206407418 CGJAUFDLYFXTBZ-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE Brc1ccc([C@@H](Br)c2cccc3ccccc23)c(I)c1 2207273372 UIBDZBGPPNJVES-KRWDZBQOSA-N 501.987 6.691 50 10 KKGE Cc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1I 2212991663 AQHZRYJBNDCEHF-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 2215942099 DSCSOWZZOYGWCJ-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2csc(I)c2)c(Cl)c1Cl 2217613460 OZGPANYMXGWRKQ-SECBINFHSA-N 516.840 7.404 50 10 KKGE Cn1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)n1 2218596990 ITBSSZCEOZRORZ-JTQLQIEISA-N 505.805 5.331 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1 2218598682 VAYQKZHQDRSMIN-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE CC[C@@](C)(Cn1c(CCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2234069457 RQYZIYKOTRICBR-NRFANRHFSA-N 513.705 6.601 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296506861 IOMSFXYLSCBLFC-JOCHJYFZSA-N 524.429 6.067 50 10 KKGE N#CC(=Cc1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2297315468 OSLCETFDQDPBAE-UHFFFAOYSA-N 521.654 8.145 50 10 KKGE Clc1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(I)c1 2301795078 CSMIBHLAWATIHM-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 2313568169 OZQKWBYMYJJKLV-UHFFFAOYSA-N 560.673 7.298 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(O)c2cc(Br)ccc2n1 2314489179 QIRIAVKDEUPSES-UHFFFAOYSA-N 520.692 7.094 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(Cl)cc3Cl)nc12 2314531734 DPDAZLOSZQTPQI-UHFFFAOYSA-N 560.224 6.955 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592059 LBRJXSQRFAFDMI-RUZDIDTESA-N 552.483 6.766 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314618978 XPJAHXRDTJOZCH-SSEXGKCCSA-N 584.676 6.198 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314640707 PBNKYTKBNSRSOY-WJOKGBTCSA-N 508.618 6.873 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643120 CJBDGEPGDNTSDK-MGBGTMOVSA-N 613.497 7.726 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2317774852 SKTQSMLGTASYJX-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE Brc1cc(CO[C@H]2CCCCC[C@@H]2I)ccc1I 2325376348 ILQJFSKXVIUYAR-KBPBESRZSA-N 535.001 5.707 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 2331324314 ITXLNZKXQLKVOU-UHFFFAOYSA-N 511.534 6.017 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)c(F)c5)cs4)cc3C2=O)c(C)c1 2331351632 KYKVLFATRMEEQY-UHFFFAOYSA-N 513.525 6.456 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c2ccccc12 2331408098 AAXHYONUOCTMAS-UHFFFAOYSA-N 510.356 6.526 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c(OC)cc1Cl 2331471166 SLBAJZYKFAFJSS-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)s1 2337088732 PJAULTPWTWRWHD-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE Fc1cccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360402426 QFUSSIPYSOXOTM-JTQLQIEISA-N 556.797 7.123 50 10 KKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2377352606 LRFKMGWTMXHZSA-DCGLDWPTSA-N 512.067 6.434 50 10 KKGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1 1777213 XKTNHYOIZGLPQM-HKWRFOASSA-N 511.455 7.145 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(-c2c(Br)cc(Br)cc2Br)o1 33341713 OTMUDTKTQHDHEM-UITAMQMPSA-N 503.972 5.704 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 38684334 QZRIIIBGDDVAGW-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38684748 KASHSMOWURUUER-NDEPHWFRSA-N 518.997 5.967 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38685462 YGDNLRHTQDBRNA-PMERELPUSA-N 526.633 6.728 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)oc2c1 38688558 JLJMISORZASVEP-LJAQVGFWSA-N 500.554 6.949 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100206127 GYPZJDSJPMZWDJ-UHFFFAOYSA-N 572.459 5.706 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 100233643 VZEADSZJHFAEFD-ABZYITTCSA-N 586.439 5.308 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2Br 100922012 UURFMCHTFASYDO-MVHHUAPPSA-N 538.162 5.757 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C1 101014168 HGMRIEWTIMRADC-FCBRYHHASA-N 579.751 6.880 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101245033 SYCLUDVRRBLGON-MIGQBWSYSA-N 550.511 7.490 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101339404 VGBSWLSKNLPMOQ-UZWMFBFFSA-N 570.693 7.065 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 101368121 LHQZRZVLNDDNJG-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368427 JRWZRTJBMBHNSN-HKBQPEDESA-N 542.632 5.885 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383261 XUCJCMXONBDWED-PXUITGBGSA-N 591.107 8.053 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388410 JQFZWCZCWLTKTC-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101389042 APRBLOJDWUNUMF-MQFAKOPTSA-N 598.602 6.534 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)c(OCC)c1 101389162 FIWRPMHASGESLI-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101390835 QTKUFUOUEKTEQE-MUUNZHRXSA-N 581.496 7.789 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)c(C)c2cc1Cl 101391989 YFPXMXLNNKDJGR-DEOSSOPVSA-N 539.802 7.447 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1Cl 101394938 USOIJDKMHZKPAW-XMMPIXPASA-N 541.456 6.941 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c(Br)c1 101610306 XRNNOVPJRFDMHF-YQCHCMBFSA-N 570.487 6.900 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 101639077 YCCFGOJZIPVYHC-QDLTXIOKSA-N 530.580 5.871 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 101680535 BPOBRDSGUXNQOI-UOSOPFLXSA-N 593.680 6.399 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(Cl)cc1 101766278 RVHAGOYTBOTDLU-FJEPWZHXSA-N 559.888 6.517 50 10 KKGE N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 102348790 NHVDWCLIFBJGHI-SDQBBNPISA-N 515.702 7.383 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 102667316 SRJIPFQNGZZUHS-CCUBOOHYSA-N 522.457 6.675 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806206 SIOIWDKATHYPDY-DNDAOKEUSA-N 603.657 5.938 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1 103879531 WOLDQKAUWFRJAW-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 103888260 LZNBIHDWVIPHDK-MTJSOVHGSA-N 535.394 5.979 50 10 KKGE Cc1ccc(CN(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 109875889 LWFQAVNJFNLXRD-CJLVFECKSA-N 564.038 6.317 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1 150382910 SBRGLFUOZMULLA-MGCJZSHXSA-N 658.249 5.578 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411490 IEVZKGQYNXLAKZ-QSAVWGRNSA-N 684.749 6.174 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433154 QRRWOYKWEONDNY-XIFFEERXSA-N 647.511 7.182 50 10 KKGE CCOc1cc(CNNC(=O)CCCCCCCCC(=O)NNCc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442580 IRSTVGGMNKRMPP-UHFFFAOYSA-N 919.038 7.037 50 10 KKGE COC1=C/C(=C\NNC(=O)c2cc(OCc3ccccc3F)c(OCc3ccccc3F)c(OCc3ccccc3F)c2)C=CC1=O 162017216 ONJIIUZQNMOAMM-NMWGTECJSA-N 642.630 6.628 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 164645467 OVPSGXBSRQARPN-JEPNHJGPSA-N 639.506 7.475 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])c(Br)c1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 195812268 HDMSDQGTDSKRGN-GLQRLXNTSA-N 654.509 7.615 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395152 QMTRRGMBNMYYFE-HYYIVNOHSA-N 554.643 6.115 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214386951 LQSWBLVKNCMGBL-CAQPMQTCSA-N 638.655 6.779 50 10 KKGE COc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1COc1c(F)c(F)cc(F)c1F 252631436 VKVAFHGNQBWOPZ-UHFFFAOYSA-N 504.524 5.887 50 10 KKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5[C@H](C[C@@H]4[C@H]3[C@H](Br)C(=O)[C@@]2(O)C1)O[C@]1(CC[C@H](C)CO1)[C@H]5C 253530608 NZMXPNPAWOZZDY-YTOVDHLQSA-N 567.561 5.032 50 10 KKGE biogenic C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253560023 AHDCDVFGDBUFGM-BKATUZMVSA-N 700.357 7.938 50 10 KKGE C/C=C\c1ccc(OCC(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)c(OC)c1 254450295 DVFVSHCCLPQMLO-BDTBIRATSA-N 526.511 5.736 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1 263628387 ORPRUNSRBJXCQN-UHFFFAOYSA-N 518.610 5.793 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)cc(F)c(F)c2F)c1I 398746105 UTOIAWMUXNRAAJ-LLVKDONJSA-N 519.924 6.264 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2C(=O)O[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]13)[C@@H]2Cl 504374662 DDCCFIREQZTEMS-ZYJJQCQDSA-N 597.265 6.572 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2(/C=C/C(=O)OCC)CC2)C[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C 725239035 JKSGABMCFAOQOX-FRTRNDOASA-N 624.979 8.610 50 10 KKGE Cc1ccc([C@@]23C[C@@H]4C[C@@H](C[C@@](NC(=O)NN=Cc5ccc(OC6CCCCCCC6)cc5)(C4)C2)C3)cc1 725406068 PUVNKBQWEGACHJ-IZTZEESJSA-N 513.726 7.410 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1Cl 1083934034 CECTYBMTFQXGPW-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 1084107934 KGWAGRHAFHAFGU-XDHOZWIPSA-N 511.803 6.626 50 10 KKGE O=C(Cc1ccccc1)Nc1ccccc1C(=O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084133172 MYQMAGQQYYNAMG-UHFFFAOYSA-N 502.914 5.453 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2 1084188340 SRXQNIKBYLUGAQ-UHFFFAOYSA-N 584.366 5.508 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Cl)c2cc(Cl)cc(Cl)c2)cc1 1084239084 UANVRLDXGAEABL-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084642022 VZSAMDRKUVQIHJ-UHFFFAOYSA-N 705.620 6.954 50 10 KKGE O=P(Oc1cc(Cl)c(Cl)cc1Cl)(Oc1cc(Cl)c(Cl)cc1Cl)C(Cl)Cl 1615216995 LLQAPWULTRTSJQ-UHFFFAOYSA-N 523.778 9.019 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(OCCCCOCCC)c(OC)c3)c(C)nc2C)cc1OC 1772721608 BGJLQTWTYQDNDE-UHFFFAOYSA-N 717.908 7.568 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744446 XMKFEGGOPSCNNI-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1Cl 1772755709 PQTAYDDTXICTRW-UHFFFAOYSA-N 559.888 6.517 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434918 FTUXKEAMZSWESO-WSHXKQFHSA-N 677.433 6.812 50 10 KKGE CCOc1ccc(Cc2cc([C@]3(O)O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)ccc2Cl)cc1 1857790241 UTFIOIDDBKLFAJ-SYJCBOMESA-N 713.609 8.385 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1865686517 WWSBULZVDIOIGF-JOCHJYFZSA-N 525.798 6.916 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689432 RXFDUJFMYNSDHD-HHHXNRCGSA-N 577.468 6.556 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cc(Br)ccc1O 1865695433 CIAHHIRVQHULNQ-VWLOTQADSA-N 535.401 6.379 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701282 RIFURILDYYBSPC-HHHXNRCGSA-N 545.014 6.092 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701471 WFEPHKPTKRINJS-VWLOTQADSA-N 537.834 6.938 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703567 BJKYRWNATBYEOQ-MHZLTWQESA-N 545.470 6.988 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703612 CQKPUOGAFKDNQK-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704758 DBMRYXWBXJPRCY-HHHXNRCGSA-N 555.034 5.983 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865704958 IUHVEGRDZIGZRZ-GDLZYMKVSA-N 570.605 5.994 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712554 BJUIQXGFHYHFCB-AREMUKBSSA-N 515.529 5.827 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713390 XZWOEJBWJLZYDY-DEOSSOPVSA-N 533.415 6.141 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714060 BTLIVBJVSDAVPO-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867057530 RUOJUMWRXRCXSD-XMMPIXPASA-N 513.648 5.077 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3ccccc3Cl)n2)cc1 1868414232 KTCIDJWFBYNTML-UHFFFAOYSA-N 507.022 7.356 50 10 KKGE COc1cc2c(cc1OC)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)CC2 1868415256 VWBXWBNOIDAIQX-UHFFFAOYSA-N 516.026 6.825 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@@H]3C3CCCCC3)nc(-c3ccc(F)cc3)n2)cc1 1868457098 ZZUOGPYAYCSXHS-XIFFEERXSA-N 574.729 8.765 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 1872753828 ORNZJABNGHKPIB-SNCOZNQQSA-N 515.635 6.364 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940958 PFUXYXUFTSFSAC-LNVKXUELSA-N 500.536 5.597 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915115741 OALLHZIFYBJRGY-NSHDSACASA-N 510.089 6.089 50 10 KKGE CCc1occ(C)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924568252 DKJXLVQRYJOIKH-VIFPVBQESA-N 521.894 6.984 50 10 KKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1 1924571570 RYUXBJJATZVPPI-SNVBAGLBSA-N 539.953 7.069 50 10 KKGE Clc1ccc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924593830 IEIANEDPIGKFSO-SECBINFHSA-N 514.291 7.671 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925585963 TUFJBPXOURUCFD-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)c1Cl 1925586866 DPVFTBJCXMJDKC-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(I)c1 2036573844 ZPCXFXYALRSDGG-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE CC(=CC(C)C)[C@H](C)/C(=C1\CCC[C@]2(C)CCC[C@H]12)[C@@H]1[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]2n2c(=O)c3ccccc3c(=O)n21 2065336350 BKBXDVORXBDXJZ-VXEWDSRBSA-N 645.017 9.975 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(C2CC2)c(Br)s1 2094666932 SUJKFOFRQHKJIN-ZDUSSCGKSA-N 532.466 7.083 50 10 KKGE Fc1cc([C@@H](Br)c2cc(I)ccc2F)c(F)cc1Br 2113357696 IRKVQVSSXALRMU-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471347 QIVRYBWHVJJHMI-OPVBNTEQSA-N 584.766 6.845 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)cc1F 2142286736 HJEROWYAGVHTLG-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2150493283 KKTWLZALXGEIBP-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1I 2217861562 UEXNSWWAIDLQOC-CQSZACIVSA-N 544.850 6.609 50 10 KKGE COc1sc([C@@H](Br)c2cc(C)ccc2I)cc1Br 2224056559 YUSOUUSPWFXCMY-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)nc2Br)c(C)c1Br 2227362656 PCSOWLQIZHXVAU-SNVBAGLBSA-N 516.857 5.204 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(I)c1 2260072927 FGVOOURKLMIODF-SECBINFHSA-N 572.832 6.640 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(I)sn2)cc1Br 2278020198 SPRLFMXOHPFUGS-LBPRGKRZSA-N 518.996 5.012 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1COc1cccc(C(F)(F)F)c1 2295669970 SCEWJGMSIMXOJK-UHFFFAOYSA-N 544.551 6.465 50 10 KKGE CCCOc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(C)cc2)N(c2ccc(C)c(C)c2)C1=O 2296053647 UNEXMRLLOUIPOF-NDEPHWFRSA-N 525.674 6.466 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(=O)OCC)c1C 2297467010 DKADBNGTTLFDNZ-UHFFFAOYSA-N 507.637 6.293 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=CC=Cc1ccc([N+](=O)[O-])o1 2297623996 JTUXTPWYZXWOIB-XMMPIXPASA-N 630.445 5.580 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2300179819 XNRPPYBGWCWKKA-ZDEZVYLVSA-N 514.252 6.614 50 10 KKGE Clc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Br)c1 2300997444 HVTHQRRSUOVYSO-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 2313567414 GVRJRFXGSNWASW-UHFFFAOYSA-N 558.479 8.428 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 2313571163 OVFUKETUXRNYDP-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571241 QNKDTCJLMBWGDZ-UHFFFAOYSA-N 672.100 7.214 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 2313671282 YKLHQKIHCDXWBT-INIZCTEOSA-N 530.249 7.119 50 10 KKGE O=C(CCCCCN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 2314489894 UDZYMENXAKAUOE-UHFFFAOYSA-N 579.213 6.431 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592620 YRIXGFOGJQELSQ-XMMPIXPASA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314609953 AOVOKPVLZLZFLM-UHFFFAOYSA-N 590.683 7.219 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314616935 NBJHUPUHVSMJDA-UHFFFAOYSA-N 587.072 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314617056 PZGAAPXATKTGJN-UHFFFAOYSA-N 640.743 8.372 50 10 KKGE CCN(C[C@@](C)(CI)OCc1c(Br)cccc1Br)C(=O)OC(C)(C)C 2318204645 XSNBHEGKYGNTMY-GOSISDBHSA-N 591.122 6.179 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C)c1-c1ccc(C)c(C)c1 2329663796 RLERORPIGZUAQB-UHFFFAOYSA-N 509.425 6.435 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 2331378594 FVLIQXFOEPFBMQ-NVXWUHKLSA-N 510.015 5.883 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(N(CC)Cc4ccccc4)cc3)n2)c1 2331470742 HCCWZXZRICHPRZ-UHFFFAOYSA-N 509.675 7.698 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888244 WIAUFTLDPSQHOL-BSSRNLCFSA-N 532.463 6.131 50 10 KKGE Cc1ccccc1NC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2794013 KDSCHMVKCNNMJP-FPOVZHCZSA-N 516.593 5.607 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657865 OLXDQZKLSQFERW-PMERELPUSA-N 504.586 6.340 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38681957 DONOHWDRFMMZNE-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686343 KFIBBCRDSUFSEB-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5)ccc43)c2)cc1 38686643 YEULDQKKRNJVJC-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 38686844 WZUGWMGAUHACIA-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 38688227 XVGKQORSDWRVHV-NRFANRHFSA-N 512.305 5.348 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38701465 VOXYMMLEDQKABN-GDLZYMKVSA-N 522.601 7.056 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261219 FJNQHZAGRJDPCB-ZIQIHHEHSA-N 527.138 5.919 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1 59335294 PRIFVARRXPEHJQ-UNOMPAQXSA-N 512.322 5.863 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1 100235638 NVKYNZNNRHXXIB-WIQDYGPDSA-N 604.339 6.462 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 101378142 BNQNUIMLLJRQDC-DHUJRADRSA-N 572.705 7.991 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380352 CJBTUWCRTFVZJQ-XIFFEERXSA-N 578.640 7.411 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 101381288 MVGVKBIUIMTTIS-JGCGQSQUSA-N 601.486 7.392 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383042 JAQUTVPMKPTMDF-ULKXQASOSA-N 595.095 7.633 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383315 XEJLPBWJARHLAZ-MGBGTMOVSA-N 595.095 7.925 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1F 101386819 HUGOFWPXCJFMTM-XIFFEERXSA-N 580.612 6.233 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101388606 AAPXHNTYJNOUGV-MQFAKOPTSA-N 615.057 7.048 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 101391206 CUCPVMXAGNZAMB-FQEVSTJZSA-N 562.261 7.952 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101393118 YYEPLCGNJKJRGB-MHZLTWQESA-N 534.996 5.973 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397455 DPNPEBXJGCMRMH-JGCGQSQUSA-N 629.540 8.497 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(C)cc4)c3)c(C)c2c1 101398263 PTHVXRYFPWIMDW-XIFFEERXSA-N 570.645 7.628 50 10 KKGE Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)cc1 101609394 ONJUEYZEEARKAA-QCWLDUFUSA-N 528.634 5.398 50 10 KKGE N#C/C(=C/c1cn(CCOc2ccccc2Cl)c2ccccc12)c1n[nH]/c(=N\C(=O)c2ccccc2)s1 102505268 QSGODHPKNSXYCD-SILNSSARSA-N 526.021 5.964 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 103743503 OONKVISSBMQEGZ-KKYHWDRJSA-N 556.663 6.795 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2c(c1)OCO2 103877712 RCNAVIDUQPMBDM-SEBMTOOBSA-N 569.661 7.253 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1 103878379 XFFDZBUDLVHYFS-FJEPWZHXSA-N 578.260 7.454 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)O 103878951 UKYDBCUOVWBHJW-OKCVXOCRSA-N 609.420 5.293 50 10 KKGE CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 103880853 YUQFWTBYHLKIOD-XBQJKBNESA-N 543.715 7.470 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCC(C)C 150463811 GPXHLRMSNVOQTL-QFIPXVFZSA-N 672.776 8.200 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C2=O)cc1OC 150497950 DOJFHCKJIMBEIS-PPFNPFNJSA-N 650.735 6.970 50 10 KKGE CCCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC 206954370 LNZCXGNPGHPNFL-RFNZEHTHSA-N 514.578 5.699 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214273184 SWLNNYRYSAMCKG-YKQZZPSBSA-N 542.639 6.367 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214305536 ZUDQLHFTBPTJCI-RIRGPFDCSA-N 536.632 5.270 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 234877551 QKIBQEMPWMZBFK-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 235823118 RYUAQIQITNZJJX-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1Br 236176889 ASPJUACRAMQBNS-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE Cc1ccsc1C=NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 254304232 FGFRLCDHVSJZDV-PBHICJAKSA-N 501.456 5.452 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2ccc(F)cc2)[C@H](CC[C@@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 256012288 XXMINDVVBVJXLN-YUYNGSOASA-N 716.974 10.041 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1c(Cl)cccc1Cl 256028437 MBJIBXQVMPGIQV-UHFFFAOYSA-N 652.423 7.495 50 10 KKGE CCc1cccc(CC)c1-n1c(SCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)nnc1-c1ccc(OC)cc1 263626138 OESMHIXOPHDABQ-UHFFFAOYSA-N 653.780 7.037 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1I 300472913 TXYJQAFMXWOLOS-ZDUSSCGKSA-N 544.850 6.609 50 10 KKGE CCOc1ccc([C@H](Br)c2scc(Br)c2Br)cc1Br 705448029 OAYKZHLDENPAEW-NSHDSACASA-N 533.905 6.919 50 10 KKGE CN1CCN(CCCOc2ccc([C@H](C(=O)Nc3ccc(N=[N+]=[N-])cc3)N(C(=O)CCl)c3cccc(C(C)(C)C)c3)cc2)CC1 725238294 GPJVEJQPMZVKRW-JGCGQSQUSA-N 632.209 6.894 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)COc2ccc(Cl)cc2Cl)c1C 725390721 ROAZGKWYQPFRRY-UHFFFAOYSA-N 523.258 6.309 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1083945528 UVTRTDBFHYZKQB-DEOSSOPVSA-N 575.887 6.053 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083994937 BDYUZWWQKYPGSD-UHFFFAOYSA-N 603.144 6.329 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC 1084029973 TZBIPHLFVWDEQZ-UHFFFAOYSA-N 643.593 5.802 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2sccc2C)cc1 1084402918 ZULUOAXHOOYZJN-UHFFFAOYSA-N 519.648 5.225 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084497790 DYFDNDDWOCWNCV-QHCPKHFHSA-N 728.321 5.566 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCOc3ccc(Cl)cc3Cl)cc2OC)cc1OC 1772720267 KHDUAWQVUIEYKV-UHFFFAOYSA-N 561.418 5.548 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743497 DGKRLUWNYJHJBV-UHFFFAOYSA-N 524.326 6.636 50 10 KKGE CCCCCC/C=C\CCCCC/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C 1848437600 IHNHIJVZLTWENJ-FTEYPOKUSA-N 595.982 9.893 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683534 MDCJLCOWCRZVRX-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687675 XQIPIESULCWJCT-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCCc1ccccc1 1865688758 ZZANPJYCEZXNRH-MUUNZHRXSA-N 527.024 5.742 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697567 WRPWMTCNCHCAAX-QFIPXVFZSA-N 509.404 5.211 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c2ccccc21 1865699660 ZGXSWLQMJRLINS-GOSISDBHSA-N 504.299 5.908 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1865700738 CFSPSKUWGOPJDV-AREMUKBSSA-N 533.415 6.293 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702769 FAYRNVAQSUJCLA-MHZLTWQESA-N 511.025 6.584 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 1865705251 PKINYQPISIZXLV-VWLOTQADSA-N 557.404 5.389 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866659244 CUZQRWYNGGTYOL-VWLOTQADSA-N 500.555 5.401 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867221166 NYPYNZDGBIBUNU-IZZNHLLZSA-N 549.668 6.252 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN([C@H](C)c3cccs3)CC2)n1 1868301713 VOYZNCKDANYVIA-OAQYLSRUSA-N 512.708 6.714 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)n2)cc1 1868320897 QOUUBUDZLCAXIQ-MHZLTWQESA-N 525.681 8.247 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4ccccc4s3)nc(-c3ccc(F)cc3)n2)cc1 1868456832 UPCMTXKCGBQJMP-HSZRJFAPSA-N 524.650 7.551 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)nc(-c3cccnc3)n2)cc1 1868564764 FBWYQOFQJPSUCC-RUZDIDTESA-N 526.069 5.928 50 10 KKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872746011 NORWXASHMQFRNO-BZZOAKBMSA-N 503.421 7.187 50 10 KKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 1872746280 APUWVKKYWAAJJH-ICFOKQHNSA-N 519.264 7.560 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C(C)C 1872753798 NFZWVARKLIBZOX-LIKSCLQZSA-N 501.652 6.653 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)Br)cc1Br 1914635973 CSSGNSQMKXBJOV-ZDUSSCGKSA-N 540.115 5.494 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 1922939513 HZMBDVXZJGWYJV-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924585052 GRUTUBGINXATIQ-SECBINFHSA-N 521.869 6.967 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925587904 MNFMRKCLCVHJLK-QMMMGPOBSA-N 516.840 7.451 50 10 KKGE CC(C)CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2015718664 XGKTWCYNIYFUFC-SECBINFHSA-N 509.927 7.298 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 2033241979 WLRPFCBCANXYED-LLVKDONJSA-N 501.842 5.675 50 10 KKGE Cc1cc(C)c(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2059312267 IRJHHIJNKOONEQ-UHFFFAOYSA-N 515.517 5.521 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cnn(C)c2Br)c1Br 2083316856 AFNNSEUBCDKPQE-NSHDSACASA-N 501.842 5.500 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CCCO2)c1Br 2085494658 NBUOARXUALCQEF-RNFRBKRXSA-N 570.739 6.742 50 10 KKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1cc(Br)ccc1I 2094674160 RSNALZDMDXIZIJ-ZDUSSCGKSA-N 532.466 7.083 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123843 SQAHVMAANFZSQI-GZMMTYOYSA-N 501.456 7.578 50 10 KKGE COc1sccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474035 WPSIRKZELFTBLD-VIFPVBQESA-N 598.774 7.291 50 10 KKGE Cc1cc(Br)c(CCl)c(Oc2c(I)cc(Cl)cc2I)c1 2173453978 ADLQXEHRIBQKAX-UHFFFAOYSA-N 597.843 7.151 50 10 KKGE COC1(C(F)(F)F)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2182020281 RZGLFBAQWBAKLJ-POUYQYJTSA-N 521.418 6.673 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)c(Cl)c2)c1Br 2201083207 XMKCUUZSEVWFKA-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCOC[C@H]1OCc1ccccc1 2234055777 DKAMOGPYCPCCAP-IEBWSBKVSA-N 514.645 5.847 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2234061582 VIBXBNVLTYSKMN-HOCLYGCPSA-N 511.689 6.698 50 10 KKGE O=C(c1c(F)cccc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 2247969112 ZVYQHPKKEPJEQK-QGZVFWFLSA-N 502.165 5.246 50 10 KKGE COC[C@]1(C)C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2269314302 SJTDBNDQODKFNW-SMOQUIODSA-N 540.315 6.689 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cscc1OCc1ccccc1 2277882795 FYRPQWCIKGKJSH-IBGZPJMESA-N 516.682 7.544 50 10 KKGE COc1c([C@@H](Br)c2cccc(I)c2)cc(Br)c(C)c1C 2284587956 FKEZAGXBSFQRQI-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 2294815170 QBQILPGPOHKOEN-ZVZGDOHKSA-N 538.257 8.458 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518860 WWSSFJDQCSNYCV-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567155 HNOIARVXOJSFJR-UHFFFAOYSA-N 561.296 7.135 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 2313681256 YLRFJDJZHMTJNC-UHFFFAOYSA-N 511.405 6.915 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1OC 2314736099 UWGLNJSJKXGZOO-UHFFFAOYSA-N 512.606 6.728 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1OC 2331484512 DOTXZTMDUGJRNC-UHFFFAOYSA-N 505.821 6.706 50 10 KKGE ClCc1ccc(Br)cc1OCc1cc(I)ccc1Br 2341779609 KKLHYSFNBGGEEU-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362234728 INFQCJTVGGDGGX-LLVKDONJSA-N 554.248 7.390 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)s1 2365595119 GUMCDFARSNZHPI-CYBMUJFWSA-N 550.481 6.789 50 10 KKGE CCC1CCC(CI)(OCc2cc(I)ccc2Br)CC1 2367612851 ZUNOXSZCCXDXOM-UHFFFAOYSA-N 563.055 6.344 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 1790746 OJTGEGNVYLBXBS-FNBPXTNNSA-N 583.851 6.076 50 10 KKGE O=C(Cc1cc(Br)sc1Br)N/N=C/c1c(Br)cnn1Cc1ccc(Cl)cc1 2151743 WBWCUOIAKWTAKM-GZIVZEMBSA-N 595.542 5.627 50 10 KKGE O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)N/N=C/c1ccc(Cl)cc1 2614492 UJKTVKPVIANEQR-KKMKTNMSSA-N 509.056 5.426 50 10 KKGE CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](Cl)[C@@H]3O)[C@@H]21 3926592 FQJIZXBCOKNLMR-FTAPQOLWSA-N 560.263 8.212 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Cl)c1 38651153 AVVLRHVYFPENAT-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCCC(C)C 38660366 XJUSDPHEUVBBKK-PMERELPUSA-N 528.605 5.631 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c(OC)c1 38688439 ASSPXPSAGXAUQD-HSZRJFAPSA-N 518.978 6.009 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c(OC)c1 38688463 RGAFPAXLIBDPCG-AREMUKBSSA-N 510.546 5.813 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)oc2c1 38700557 ILPLDFILVOHUEG-QHCPKHFHSA-N 505.357 6.794 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 58893891 YBFWDZQVVIDDCY-ZZJXEYPFSA-N 519.400 6.074 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 58895272 XOVXGFDMTFOWTM-QGFINPQDSA-N 520.601 5.504 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 100236291 OTVGPQDBGFZHQW-PCYMAAINSA-N 608.302 6.292 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@@H]1CCCO1 100883424 BZABBPOVUIHSDM-OTWBZIOASA-N 539.035 5.974 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101036750 JUCGIFLQDLHGPM-VWLOTQADSA-N 547.621 7.237 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 101115333 MBOKNVYKGKWNHO-SQFISAMPSA-N 521.758 5.448 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245740 BMZJXGCBGDJLJD-KVILUOORSA-N 552.483 6.766 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101339507 VEFHOHIMRJTRJK-JVWAILMASA-N 529.556 5.548 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367304 BFKDWPMNXWIWMH-JGCGQSQUSA-N 564.594 5.485 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1 101367373 FNURXYBXNPKSLG-LJAQVGFWSA-N 549.539 5.620 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 101373681 QFLPOWCCJAPBOC-JMQGSBJISA-N 532.568 5.604 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101374464 KNOVVIRLCCQJEW-MUUNZHRXSA-N 577.475 6.854 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381732 USNGNQODUPNMCM-YTTGMZPUSA-N 524.576 6.856 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383226 KTFONSFDFBMIKC-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1Cl 101399213 IRAJXBMOZVJSCA-XIFFEERXSA-N 621.089 8.036 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399293 QAVVVDPHEOBNMI-WJOKGBTCSA-N 593.035 7.420 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OCCOC)c1C 102924649 LJLDZIMHNLOJAX-FOWTUZBSSA-N 515.588 5.276 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1ccccc1 103560601 PXPBCHAXWWHKQQ-HIYJYGDOSA-N 611.530 6.584 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 103852049 ZORSERDOGQJVCH-UZWMFBFFSA-N 537.572 5.329 50 10 KKGE N#C[C@H](C/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 108804649 QVADNTMOMSXUBI-ZVEHFNDLSA-N 549.587 6.046 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1csc(I)c1 127773923 LECNEXPWIPXAGX-NSHDSACASA-N 510.391 6.392 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431985 RQHUJMQYTJJQHI-LJAQVGFWSA-N 695.983 9.416 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 206695110 DONRWDSRWDWSLG-BLALDEKRSA-N 553.615 5.983 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 211009043 BBYAQPUKLNVRCJ-MEIROUBESA-N 815.162 7.712 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 214315735 GDBIJWZGHLXECV-MIXAMLLLSA-N 546.627 6.412 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214387626 ONUGMHWAROFWLU-MZFJOGFUSA-N 620.665 6.639 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 214395265 JOUQDXKESRIWJI-GTWSWNCMSA-N 635.746 5.371 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 228993420 FWRGYGZGUBOXAH-GFCCVEGCSA-N 533.905 6.919 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232342436 SCCBOVZSPHJZPD-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc2c(c1)CCCC2 232451553 KKWCLXBEDXMJMT-QGZVFWFLSA-N 506.019 6.417 50 10 KKGE CCOC(C)(C)O/N=C1\[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H]1C 245224193 SFTHBPKNOPSKEE-SQLLKOPDSA-N 993.479 7.734 50 10 KKGE in-vitro C=CCc1ccccc1OCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254352746 XTDTUVMQZKFBCK-UHFFFAOYSA-N 508.574 5.715 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254762772 LZSUDMPUMVBSTN-BBCYZXMKSA-N 515.639 5.741 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254872891 ZLWZHQVSTVTLSM-UHFFFAOYSA-N 587.761 7.335 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(Cl)cc1 256028444 MOWCFTKRXVFFDY-UHFFFAOYSA-N 603.951 6.451 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(Br)cc1)C(=O)OC(C)(C)C 303741905 TZBMVSPEBWFNMK-SFHVURJKSA-N 512.226 5.416 50 10 KKGE Cc1cccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1Br 382697061 BJDWZHZEKCBLQE-FUHWJXTLSA-N 514.201 5.545 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585733 FAGFLKDXAVYVFV-RFNQJFSXSA-N 672.973 7.366 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@]34C=C[C@]5(C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@]3(C)CC[C@]12C)OO4 616588630 IAFGRXRTUBXMRK-OQTXPYDASA-N 618.852 5.078 50 10 KKGE COc1cc([C@@H](Br)c2scc(Br)c2Br)c(OC)cc1Br 707833974 GTLTYPHYIHTJCO-LLVKDONJSA-N 549.904 6.537 50 10 KKGE Fc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721573400 RGNRCSZSSDJFAB-NSHDSACASA-N 501.934 6.011 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl 1084073616 DVEXOYCHVFECEH-UHFFFAOYSA-N 642.981 8.610 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084231384 LGFCMWJHGBWAOR-DEOSSOPVSA-N 633.439 5.150 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)cc1 1084288791 YMWJSBFALNRWPJ-UHFFFAOYSA-N 519.693 5.484 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cccs1 1084312175 POHYTBFSKJWPOL-UHFFFAOYSA-N 633.205 5.208 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 1084620941 JHXQPACERFXFKL-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(NC(=O)CC(C)C)cc3)cc2)cc1 1084631011 JMHYFLQILWVYFK-UHFFFAOYSA-N 568.678 5.184 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cccc(OCc2ccccc2Cl)c1 1772755240 WLVUYZIHZCKJOL-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 1772755606 NYLYATISUSTDGA-UHFFFAOYSA-N 505.453 6.069 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)c(Br)c1 1772755691 OQIPLNGHOYFJRU-UHFFFAOYSA-N 539.470 6.217 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)c(O)c(OC)c2)cc1 1865689642 VEMVRWJTONUDJF-JOCHJYFZSA-N 545.393 5.243 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OCC 1865691466 SONDOGONTYPLDC-MUUNZHRXSA-N 552.631 5.962 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865692426 FPDCCAMEHGULCF-XMMPIXPASA-N 547.442 6.862 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865693316 NBHLIRZXRVJTHQ-DEOSSOPVSA-N 547.442 6.531 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865694693 ZHICEZNNDUBLJH-SANMLTNESA-N 527.024 6.267 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694890 DZIXOLGHGOZGLO-RUZDIDTESA-N 503.389 6.285 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865694961 GTSQYNAUFHKDQZ-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705613 ACTSXDSYRIHFFI-MHZLTWQESA-N 541.051 6.261 50 10 KKGE CSCC[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867088542 VDOGXLGBDJBTRX-HHHXNRCGSA-N 556.713 5.523 50 10 KKGE Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1F 1867167946 OFHSBZMDQIREFX-HSZRJFAPSA-N 517.561 5.012 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CCS2)cc1 1868207196 JIFXEXWGNLTLFH-AREMUKBSSA-N 525.703 6.687 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(=O)c1ccccc1 1872784522 RIIBONZPBACWIQ-UDWIEESQSA-N 517.404 6.865 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872790391 FORIDBPKDZJMSH-UDWIEESQSA-N 511.485 7.831 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872794676 PIWQATIVMKHJLZ-RIYZIHGNSA-N 509.878 7.539 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)n1 1873920575 JANGXKXJJCNCPD-LVWGJNHUSA-N 508.559 5.268 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 1898077820 FGIMIAGVBWVYPF-SGTYWVLOSA-N 541.701 5.520 50 10 KKGE Clc1ccc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924593832 IEIANEDPIGKFSO-VIFPVBQESA-N 514.291 7.671 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@@H]4OC(c5ccccc5)=N[C@@H]4c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 2054338570 ZAXCJOQYACAQIY-MTKWKYEUSA-N 950.167 7.820 50 10 KKGE Cc1cocc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493777 GWFVPQSNUWOCKM-JTQLQIEISA-N 566.707 7.122 50 10 KKGE C[C@]1(F)C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085495360 QHVNYCAZIZIJOB-WQAUNQLMSA-N 528.279 7.155 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(Br)cc2I)c(Br)c1 2086139141 KZXFBIOXVRUMFM-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2137640861 AYCWLHQRXNUJNE-CQSZACIVSA-N 534.844 7.153 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2138252774 PJEKZMOBDOVOGE-JTQLQIEISA-N 509.872 7.026 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138855463 XDXDVBUPCKHTAH-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1C2 2141476818 HKTLWZPXWQMHHR-OLCPAQQISA-N 536.327 7.453 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2169660758 DZEZPHNFOUNXIT-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2169661504 JCTYFYXMRPPAQC-SNVBAGLBSA-N 528.801 7.528 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1cc(Br)ccc1Br 2175141868 KQXLBJXBTHIVNX-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE CC(C)[C@@H]1CCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396349 VXZLFZMBWBDURN-IQMYEBEASA-N 552.370 8.089 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(I)ccc2Br)c1C 2218788794 FCYOKMBMXVRMSJ-LLVKDONJSA-N 564.906 6.979 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(I)c(Br)c2)c1C 2218794216 NVXLCVYYFREACG-NSHDSACASA-N 564.906 6.979 50 10 KKGE BrCC(CBr)(Cc1ncsc1Br)c1cccc(Br)c1 2226134697 RKICFXKRIJAPPY-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232530115 PDLICPBZOQOMKF-SECBINFHSA-N 526.281 6.873 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235603530 JOQQWUVXTADUOY-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c1Br 2240916034 LEDYQFGJEZOBRK-CQSZACIVSA-N 501.871 7.506 50 10 KKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277964878 IOSSGLJCLUGNFV-CYBMUJFWSA-N 532.295 7.306 50 10 KKGE COc1c([C@@H](Cl)c2scc(Br)c2Br)cc(Br)c(C)c1C 2284582478 GDIWJRNTVXUNTA-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 2294168487 NTEYTPNNJKNJFI-UHFFFAOYSA-N 618.471 7.366 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(Cl)c1Br 2295275905 ZWUHXHVVGDCYEQ-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2295491709 AWZGIINIBOSUDU-AWEZNQCLSA-N 515.517 7.934 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)cc2)cc1 2296507183 XMGRGHHDECHDHL-QHCPKHFHSA-N 522.457 6.675 50 10 KKGE Cc1ccc(C(=O)NC(=C(Cl)Sc2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2297497946 LPQZUOFKHDBJLM-UHFFFAOYSA-O 599.543 8.530 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314452924 RPOLHEDJBURZCI-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(CC)cc3)C2=O)cc1 2314591899 HFFXUOXVJCIBEN-GDLZYMKVSA-N 523.702 6.965 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617164 RZFZDRFQNNAFLJ-UHFFFAOYSA-N 577.464 6.772 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 2314617963 DTVGMMMLSDWCLQ-UHFFFAOYSA-N 553.018 6.367 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2314618271 KKPDXDRKUPXNKF-UHFFFAOYSA-N 538.648 5.737 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620413 PMDRCVOUOAXZHL-UHFFFAOYSA-N 557.430 5.517 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634650 SRSMXIKLDFNKRA-SSEXGKCCSA-N 510.590 6.020 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646646 HVJQOUCDOFRZLQ-GDLZYMKVSA-N 632.742 5.635 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cscc2OCc2ccccc2)c1Br 2315453250 KZSLKWODJGDGPS-QGZVFWFLSA-N 525.064 7.973 50 10 KKGE CCC(=CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321346979 CLEVDATVLNPCEZ-VWLOTQADSA-N 582.495 6.330 50 10 KKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324607230 XPENUKCNGJOJOY-UHFFFAOYSA-N 558.526 6.477 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331238935 FRSZUHJYVMGZEH-UHFFFAOYSA-N 510.531 5.741 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1OCCC 2331293524 UXNNLUVFAVPZGI-UHFFFAOYSA-N 513.059 7.693 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 2331325148 PMQGMDYXBICRSK-IBGZPJMESA-N 503.624 6.016 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 2331489869 IISSUHBKCUZDBS-UHFFFAOYSA-N 501.655 8.063 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(F)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2349884157 DPJLXERUCTXLGS-SFHVURJKSA-N 520.210 6.100 50 10 KKGE Cc1cc(Cl)cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362230499 QPHXAKCWBJVVTA-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1Br 12492804 YVZYSXUJKISVPB-UHFFFAOYSA-N 510.270 5.881 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 34707048 XECKRJAVZMRPMH-ZHZULCJRSA-N 504.417 7.249 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38683667 GOUNHMWMYYQSMO-DNOBIOAJSA-N 512.562 5.188 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC)c2)cc1 38684437 MCXRYQGQFINANZ-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38700407 RQEUZRVKUJCPLI-MUUNZHRXSA-N 524.573 6.366 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 38700620 BJAHRLAKBFXCMU-MUUNZHRXSA-N 522.557 6.060 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822626 WKNBJKFDAQTTDP-RFADVIPLSA-N 503.602 6.317 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 40924476 IOPVIODDNPTCPU-FOKLQQMPSA-N 506.447 5.222 50 10 KKGE CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(C(C)(C)C)c1O 48533272 DYKRNPSKFOZKAV-KBVAKVRCSA-N 521.061 7.049 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 58887359 RHHNDKCPUDHLBN-MPTKSEEOSA-N 511.416 5.391 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2C)c2ccccc12 96438785 WXHJWWSMMAZHRO-HMAPJEAMSA-N 511.647 6.905 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968939 BUMLMCHNHNMUHF-FNBPXTNNSA-N 583.305 6.926 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 100233499 PRQABASIZFJPAC-ULFANGQISA-N 610.332 6.706 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 100235936 FTZBWSADTREOJP-KGLTWBCMSA-N 555.425 5.119 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 101034198 ZDSHYUWBAAJPRC-HMMYKYKNSA-N 542.948 7.910 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 101246219 VVUBLRKWFDUBJD-BIFPNOLRSA-N 539.701 6.801 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246278 VLVHQFQMHWVOIL-UZEPBSNMSA-N 552.483 6.766 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101335002 OGAJWQMHJFKNSE-VUTHCHCSSA-N 544.680 6.834 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101335335 GSSGZYLKLGHOJK-VUTHCHCSSA-N 544.611 5.357 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 101336691 DOGRHTPFSOQFKF-ZVHZXABRSA-N 538.991 5.977 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374107 WDPVVFYDBJSKIV-APYJYERMSA-N 570.686 6.979 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCC(C)C 101374325 XCQHTCYQLRBECP-SSEXGKCCSA-N 542.632 6.202 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379541 BQLDPQNLXKFKPQ-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379992 FSIIOVLVNNOKRQ-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381308 ASSRHVZJFRZHNF-HKBQPEDESA-N 601.486 7.799 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385531 YPTORVGCRHRMSW-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1F 101389124 FVZPDDIFAGMRLM-UMSFTDKQSA-N 594.639 6.568 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396066 UIRUJVYUCZSEFE-QHCPKHFHSA-N 585.896 8.088 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccccc12 101397651 WRQZXEDYITUWLV-SSEXGKCCSA-N 563.009 7.411 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101398764 BENGCHHNQYWAHH-MHZLTWQESA-N 617.485 8.364 50 10 KKGE CCCCCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 101651632 IFILVAPYZWIVGI-VQTJNVASSA-N 511.254 6.262 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 101766349 NYCZHCNQHHTYBP-WKULSOCRSA-N 574.313 6.617 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 102629600 BNHFWNDKTYWKAK-HEMLOQKXSA-N 532.036 7.609 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@H](C)C2 102665447 BYMQSYQYLZIXNE-UZFBZYOGSA-N 529.445 7.162 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806356 YAUGGNMNKCEREP-PPCXUVBOSA-N 611.661 5.137 50 10 KKGE O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 105452452 ZEHAEPYRQZVCIX-AUEPDCJTSA-N 563.480 6.095 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150462133 CNEVVLRMEPUTRX-QHCPKHFHSA-N 686.803 8.734 50 10 KKGE Cc1c[nH]c2c(O)cc3c(c12)[C@@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5[nH]cc(C)c65)cc4c3)ccc2[nH]1 150664302 FONKWHRXTPJODV-ZEQRLZLVSA-N 815.718 9.249 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1 163802929 HXQOQIYLYJXLSY-KKMKTNMSSA-N 656.645 6.638 50 10 KKGE CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@]5(OC(=O)N(CCCl)C5=O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 169292385 MMRCWWRFYLZGAE-JBJHZRFESA-N 884.471 5.043 50 10 KKGE in-man CO[C@@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 207824833 RALYOFHHSKCHRY-JXEQVLGFSA-N 662.852 7.227 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214262682 PUJOCYARPAKKIT-ZPPBPVQNSA-N 508.622 6.026 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Cl 235021146 MHGHLYCUGRTLEJ-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3Br)cc2)c1 254518810 KIWDXSSNIMYSHL-UHFFFAOYSA-N 509.400 5.629 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254521956 OWPXBPQHVONNSF-LWMFUFMLSA-N 506.558 5.510 50 10 KKGE COc1cc(C=NNC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)ccc1OCc1ccc(F)cc1 254763383 IPCXHSAJXCEMQB-UHFFFAOYSA-N 574.584 5.807 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254834532 CDWGNODUQCBVBO-UHFFFAOYSA-N 558.664 5.781 50 10 KKGE C=CCc1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254860744 TZKWBUSCGADMGD-UHFFFAOYSA-N 516.594 5.351 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c2cc(C)ccc2C)cc1 254866992 XRHHJRTUFFLTGN-UHFFFAOYSA-N 541.673 5.536 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](O)[C@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 257373118 OPYUSJFJMUNXDI-RURLCJGCSA-N 978.338 7.930 50 10 KKGE in-vitro CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](O)[C@@]3(O)C[C@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146815 OPJUXNZWUHWYAM-SCCQHBTKSA-N 741.200 7.135 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)cc2Cl)C1 382737276 XRTXRTKWGPLQNN-RHSMWYFYSA-N 534.619 5.890 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@H]1[C@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O)O[Si](C)(C)C(C)(C)C 504122196 LIPONQAUUSXPAR-FADBTOOJSA-N 508.763 6.766 50 10 KKGE CCOC(=O)[C@H](CCSC)NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725238491 UHOJPMPDJWUHSQ-UGKGYDQZSA-N 525.136 5.160 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 725446321 KBNZKZQVEPYIAC-UHFFFAOYSA-N 613.567 5.793 50 10 KKGE C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 888085538 MUAZUFIWQGAINF-NIBFDDODSA-N 637.081 11.139 50 10 KKGE CC(=O)NC[C@H]1CN(c2ccc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)OCc3ccccc3)c(F)c2)C(=O)O1 888086384 JCXJSJFVAQRHNQ-QHCPKHFHSA-N 559.711 5.452 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1083965874 PVZZQKFLHQEGLS-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc2ccccc12 1084047913 XKEQOTRMDVBRSI-FYJGNVAPSA-N 596.308 8.432 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)cc2)cc1 1084066286 ROHLEKYOZOMKDV-RUZDIDTESA-N 558.416 5.233 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1 1084470361 MMGMSIOKENFSFD-UHFFFAOYSA-N 501.739 6.331 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1 1084584497 DABQAVDRFYVPOT-VCHYOVAHSA-N 593.248 7.121 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1084619861 NYQJLOCXOOLTCS-MUUNZHRXSA-N 638.502 6.395 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1554493143 CPOKWJWBZZLEKX-LNYBZIJTSA-N 597.741 5.352 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720410 NPAMZVOJXPJKBL-UHFFFAOYSA-N 577.417 5.166 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748815 DXYFPAJHEFGBMV-UHFFFAOYSA-N 555.245 6.690 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750833 OKAUWNDTCUXLOL-UHFFFAOYSA-N 518.539 7.242 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686698 ZNSZVPWCMAIKAG-VWLOTQADSA-N 522.967 6.712 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865694996 HMKILFMDVMXUNQ-PMERELPUSA-N 548.687 7.011 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865696255 LHJSVWZOIAEMQD-NRFANRHFSA-N 554.231 6.532 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Br)c1OC(C)C 1865697722 AFBZOOPRMOVTMR-DEOSSOPVSA-N 557.448 6.316 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699952 HFJBQIRRDQDFNL-MUUNZHRXSA-N 509.569 6.401 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705555 YYAGHFJUJBMENG-LJAQVGFWSA-N 572.596 6.183 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711457 ZABXVHZDVSQLBN-QFIPXVFZSA-N 522.914 6.438 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130530 ZLASOKUGJVYKGY-GZTJUZNOSA-N 541.423 5.917 50 10 KKGE C[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040573 SPUFPDYAVFHSPY-KUHUBIRLSA-N 515.458 5.144 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)Cc1ccccn1 1867081946 WPKXFRXJLWDBRI-AREMUKBSSA-N 545.665 5.278 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(Cl)c4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868415246 VDEQEPJAUNDVHI-UHFFFAOYSA-N 575.569 7.522 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)CC2 1868566380 ZGJCJRPOPRZOEC-GDLZYMKVSA-N 538.677 6.632 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4C)cs3)CC2=O)cc1OC 1872748911 SHTDYOSVZHDXDH-IHSREPSTSA-N 503.624 5.328 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cccc(OC)c3OCc3cccc(C)c3)n2)cc1C(C)C 1872793003 CMDQELYSTXTOMM-MFKUBSTISA-N 524.686 8.211 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1sc(Cl)cc1I 1901023524 MPGNMFUYMDEWMS-QMMMGPOBSA-N 512.457 6.623 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2OCC3)c1Br 1924615637 DRLKVEDMTATMJQ-LCWDIZFYSA-N 537.937 6.821 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 1925060964 FZAZGCXXXBMCGC-HQLZOWSPSA-N 523.910 6.431 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)sc1Cl 1950177565 KXWXWJNLYJMMBY-YFKPBYRVSA-N 520.320 7.779 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CCBr)c1I 1951508791 WNAZAWDDTSPINS-UHFFFAOYSA-N 677.884 5.785 50 10 KKGE Cc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1CBr 2009621385 FJLTYBWLIFNQMK-UHFFFAOYSA-N 501.490 5.213 50 10 KKGE N[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2025779219 DUTSQSGWSMNIJI-RDSNPXOSSA-N 555.728 5.910 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(I)c1 2026221754 OYLSCLWCYXOJBZ-JTQLQIEISA-N 615.748 7.125 50 10 KKGE C[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085495258 JNQUOULQGLHWLC-MFXDVPHUSA-N 534.258 7.308 50 10 KKGE Brc1csc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2090462565 ABQSFRIZFWZQIV-SNVBAGLBSA-N 531.889 6.455 50 10 KKGE FC1(F)CCCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2108665211 RAIWGGSZACAXSK-SVRRBLITSA-N 545.907 7.687 50 10 KKGE COc1c(CBr)cc(Cl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2123246818 OCLJSNFBGPLXQO-UHFFFAOYSA-N 551.934 5.566 50 10 KKGE Clc1sc([C@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 2172568488 CVHMBMDKJGMJPX-GFCCVEGCSA-N 503.437 6.182 50 10 KKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)CC1CCCCC1 2179951660 BHOHGEZZDYGSAJ-UHFFFAOYSA-N 515.311 6.115 50 10 KKGE FC1(F)CC2(C[C@H]2[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397607 LERFXASNWLZBLG-DYEAUMGKSA-N 558.280 7.452 50 10 KKGE COc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1F 2207264966 LNDWWICADTVECJ-GFCCVEGCSA-N 513.970 5.880 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)c(C)c1Cl 2234470623 NGWJKHLNLCWKAH-ZDUSSCGKSA-N 501.509 7.644 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 2235608758 LQHNSDSMKOLRIF-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(C)cc1 2294619846 APQJPMSRLLRWDS-UHFFFAOYSA-N 505.412 6.508 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(I)c2)c1 2294953996 ZBHZFJHURLGLJU-UHFFFAOYSA-N 650.254 6.419 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=C[C@H](O)[C@@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C 2295157424 XDBLYTWRNMYVCA-XCFGLROJSA-N 544.937 8.836 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 2313567315 IUNFPLVAKVJCON-UHFFFAOYSA-N 536.857 5.937 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567502 KNOQQYFKLACJKK-UHFFFAOYSA-N 697.198 7.195 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314440773 SCZRLWHYUCQYET-HXUWFJFHSA-N 576.041 7.256 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3n2C)c1 2314476891 XQOQJDWGPMACRA-UHFFFAOYSA-N 564.715 6.301 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 2314616919 MWYIHISJCONWMM-UHFFFAOYSA-N 556.622 5.986 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 2314620595 RZFSCKRQZXBNEE-UHFFFAOYSA-N 521.057 6.880 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 2314634539 HBYPNVAFXWOFTR-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE CCC(=CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329539792 ZZWDATWMWUXMEY-SANMLTNESA-N 503.599 5.567 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1C 2331429491 AKECTITXJHLKLO-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1C 2331485610 KSAUMGMWZRJXMW-UHFFFAOYSA-N 513.457 7.058 50 10 KKGE Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3N(c4ccccc4)CCN3c3ccccc3)O2)c(=O)nc1O 2333326750 BXGVFHNVIRIZML-KKUQBAQOSA-N 548.760 5.288 50 10 KKGE Cc1c(Br)csc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337090196 KKSGIYXSTUHVFW-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Cl 2351643834 ZQYSSJSJBPKECK-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(I)c(Br)c1 2360496582 IDKGCSWRWNZWQX-NSHDSACASA-N 617.703 7.746 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(F)cc(F)c(Br)c1F 2364051181 NCSOYJXTECEALR-SSDOTTSWSA-N 541.785 5.609 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc1COc1cc(C)c(Cl)c(C)c1 1949593 YVEYHHNTBGDGGY-VFLNYLIXSA-N 501.410 6.035 50 10 KKGE CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1 8451709 DWHGAGJAFNWXDC-DEOSSOPVSA-N 726.378 5.242 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 8568329 MIPLPHIKEAOLQK-UHFFFAOYSA-N 564.063 5.273 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C 29493359 TZQMKCVQWBAXTL-HFTWOUSFSA-N 641.131 7.115 50 10 KKGE Cc1cccc(NCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Br)cc2)c1 33354568 NNMUIGSJCNQOMW-WKIKZPBSSA-N 545.231 5.301 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 38606843 GLIZWBNFRBAIBV-WPWMEQJKSA-N 518.573 5.714 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38700645 DYKBMPCNUZUVEV-MUUNZHRXSA-N 508.574 6.584 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 39858859 PXBMIEZWBWVKFU-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE COc1ccc(OC)c([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2Cl)C(=O)CCl)c1 97914774 ZNYPNPSPHUYJHB-OWRPTYIMSA-N 521.485 5.403 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100172645 XQYOUZSQYIESKE-UHFFFAOYSA-N 562.686 5.664 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)cc(C)c1Cl 101113213 WUJUWORWVGZNCC-MTDXEUNCSA-N 530.806 5.705 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244504 LSAWYSYOALMIRK-UZEPBSNMSA-N 502.039 6.528 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246253 DZCQYYBFZIARIX-VOEFLUBFSA-N 511.647 6.076 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101368265 COVDIARIZOXDEE-GDLZYMKVSA-N 583.468 6.629 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388261 GFXRRUZHJOYYTM-QTYPKTMWSA-N 615.057 7.048 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)CC1 101393654 KBURBEUMZNVLHQ-WLYVOJLOSA-N 539.470 6.578 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607137 WVEYTRSGROJBHZ-MHTZHOPKSA-N 548.555 5.653 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 101727085 UHVPYQHKEARAAM-KPGMTVGESA-N 624.626 7.700 50 10 KKGE CSc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103743715 CLSFYUXJDZIIDB-FMSSBYAVSA-N 512.291 5.597 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432763 WQSLGJJUJHYFAF-ZZJWGVGTSA-N 669.605 9.106 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 150486319 NUPBEGCPVNQLFS-JGCGQSQUSA-N 631.512 7.807 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 150574766 OBYLOEMFEQWMCJ-ZSNIFBOXSA-N 742.783 6.022 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214339622 ZULXRSBZAOUCNZ-LDWUQZHBSA-N 590.683 7.472 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cccc(C)c1I 233784689 ODBSBXSCFCINDI-OAHLLOKOSA-N 510.007 6.245 50 10 KKGE C=CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 252622676 OAGHOLCRUDVHPL-HXUWFJFHSA-N 546.259 6.237 50 10 KKGE O=C(CNC(=O)c1ccccc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br 254399724 IYSKOUKENJLLQG-UHFFFAOYSA-N 717.006 5.836 50 10 KKGE O=C(CCCCCCCC(=O)NN=Cc1c2ccccc2cc2ccccc12)NN=Cc1c2ccccc2cc2ccccc12 254565856 DGZQCGQVBVEVEX-UHFFFAOYSA-N 592.743 8.631 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 255994943 PNTVVZJLRPNFKC-PWQBJUGSSA-N 550.853 6.810 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019089 KDAVEEPAYKNWAB-HWKVCKQJSA-N 678.090 8.582 50 10 KKGE Cc1cc(C)c(COc2ccc(C=NNC(=O)CSc3nnc(-c4ccccc4)s3)cc2)cc1C 256028594 WUTRTEDARGAXLV-UHFFFAOYSA-N 502.665 5.952 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1cc(I)ccc1Br 383510614 DHTVRQBKPBWONE-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(C[C@H](O)COCc2ccccc2)cc1O[Si](C)(C)C(C)(C)C 504156858 CTAFVAQGLCKPOB-DEOSSOPVSA-N 502.844 7.575 50 10 KKGE O=C(OCc1ccccc1)N1CCCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725237551 JTWZRIGFGFCUAB-VWLOTQADSA-N 594.055 5.951 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C2CCCC2)CC1 725238937 UBNDTTXKJSLOCP-QFIPXVFZSA-N 514.013 5.167 50 10 KKGE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085435 AVEUCVNGXYJNAM-HWHDQVLESA-N 673.041 6.524 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1083937753 HHXQUGDUWMURMT-KGENOOAVSA-N 693.298 5.870 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12 1083985401 SKQJZRSUNPBTJW-UHFFFAOYSA-N 543.417 7.090 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccccc1Cl 1084066314 WRWMFELAWVEFGR-UHFFFAOYSA-N 534.781 5.686 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084269514 YWWIGFWFPJIQNS-UHFFFAOYSA-N 536.699 6.999 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084304162 ZSJXEKYIPARDFN-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)o2)cc1 1084468302 OZDIQWNKUOMULC-UHFFFAOYSA-N 633.941 6.028 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccco1 1565517428 NGAWAOZQDUJGMK-SSEXGKCCSA-N 590.640 6.006 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744978 NSTZBBRVRFGYNK-UHFFFAOYSA-N 531.325 5.054 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865682829 YFWGMROJUDTWNI-XMMPIXPASA-N 515.444 7.362 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865686922 FGFHNPLPFWNJIF-PMERELPUSA-N 556.622 6.354 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc(Br)c1O 1865687783 AJEHXSSXTVGTFY-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865691125 JZPGZDRJFPGRRW-OAQYLSRUSA-N 532.950 6.009 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(Br)cc3)cc2)cc1 1865693544 OXIKETRLKPOSJK-AREMUKBSSA-N 527.422 6.049 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698529 WJONWWGOTFZUII-QFIPXVFZSA-N 539.430 5.220 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN([C@H](C)c4cccs4)CC3)n2)cc1 1868320800 OAIKYZYMOLWOQR-OAQYLSRUSA-N 512.708 6.714 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1F 1872752448 CJLGULUBUYXXBB-GFMRDNFCSA-N 512.522 5.099 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)s1 1922886332 KEFFWDJOQLALRC-SSDOTTSWSA-N 574.777 7.344 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 1924613981 MCASUPGJDXZYNF-VGRMVHKJSA-N 507.911 6.908 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)ccc1I 2026132565 JJLGHLBGDHYKDH-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCOC(=O)C12CC(CI)(C1)O[C@@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395487 DGYYMBOESHFIDP-LRVUVFPRSA-N 508.196 5.313 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCCC1 2052513651 VWPNTZMTELYUOU-JTQLQIEISA-N 523.954 7.832 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCC 2053623131 GNNLARTYHKBLDT-UHFFFAOYSA-N 541.729 5.196 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)n(C)n2)c1Br 2083331249 XFJUSTVLWYKFHM-GFCCVEGCSA-N 501.842 5.500 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2142279502 RASHZCXJEVXJQN-CQSZACIVSA-N 534.844 7.106 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1Br 2148686112 UGVKISKNZMWVJB-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2193097485 XERGCPKRYOTEPY-IJAJPTPBSA-N 519.402 6.425 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206405688 OLSBJTUDLFQPOU-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1nscc1Br 2213492011 LCMVMHDWPIBCMQ-VIFPVBQESA-N 508.830 6.054 50 10 KKGE Cc1ccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222473533 SMCIUJZBKITDCY-VIFPVBQESA-N 517.906 7.023 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccccc2I)c(C)c1Cl 2224317468 NUUXHTSOKQZSOO-CQSZACIVSA-N 514.426 6.808 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)cc(Br)c1 2225633636 KQZZNQPTQLVQKC-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)c(C)c1Br 2235606603 CPHDIAXFPZBEII-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)cs1 2260070176 XFURVHJTSJHLJQ-SECBINFHSA-N 525.832 6.798 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)cc1Br 2267242636 QBOIJVVSPATIBP-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)c(I)c1 2268283236 BUWZLLBFRCPAGM-RMLUDKJBSA-N 515.414 6.342 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283581348 YMIWPHIWQXPHQA-CQSZACIVSA-N 534.388 6.339 50 10 KKGE COc1cc(C=C2C(C)=C(C#N)c3[nH]c(=N)c(C#N)c(C)c32)cc(Br)c1OCc1cccc2ccccc12 2294093697 GOXNUPTWPQDPRQ-UHFFFAOYSA-N 563.455 7.029 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1OC 2295266208 HSXZYIVALOBWQN-UHFFFAOYSA-N 512.997 5.476 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 2296506976 NXVJIBDAJQLPPG-AREMUKBSSA-N 516.066 6.748 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2297488319 HOKOLDYOMMXYSP-UHFFFAOYSA-N 560.919 6.864 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1 2297551578 SIXNEPFDOCUKEZ-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567547 LLPVEZASMACUJQ-UHFFFAOYSA-N 626.305 5.955 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1 2313568606 WZYPAPKAJZMSQV-UHFFFAOYSA-N 564.455 5.822 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313571454 WSMHNNJSCKQTJB-UHFFFAOYSA-N 662.138 8.428 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313630535 BKJGZADPTRSTCN-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 2314415139 YTMICVBBHJGIQK-UHFFFAOYSA-N 566.082 7.419 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 2314478477 NLIMJICKZYIDGC-UHFFFAOYSA-N 528.587 7.112 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OCC)cc3)C2=O)cc1 2314591750 CUPPXKCBPKTRHG-LJAQVGFWSA-N 555.700 6.501 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593932 WBXJHZKWUOOJPN-JOCHJYFZSA-N 527.524 5.050 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594042 YBDBRYCWRSIXNR-NIYFSFCBSA-N 564.538 7.420 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccccc1Br 2314634456 UOZUDFNRYDOXOQ-XMMPIXPASA-N 507.771 5.939 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 2314738096 IDJDMTFAVFPXQV-UHFFFAOYSA-N 516.594 5.574 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)c1C 2331364666 VCBXCSHEIOOFQN-UHFFFAOYSA-N 520.698 8.864 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 2331373249 QRKCXYZQAXFIIC-OAQYLSRUSA-N 501.652 6.624 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccc(Cl)cc1 2331415965 BLYWBGVBHOUHSH-UHFFFAOYSA-N 503.967 7.023 50 10 KKGE Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 2333271031 ZZMOJCPJGSXIEK-IWWXRALLSA-N 737.165 9.389 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc(Cl)c1Cl 2339043637 FIIPRFVLPLYIKQ-MRVPVSSYSA-N 528.318 8.026 50 10 KKGE Brc1cc(CO[C@@H]2CCCCCC[C@H]2I)ccc1I 2350038615 DVBUJATUWOXBOA-HUUCEWRRSA-N 549.028 6.097 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1OC[C@@H]2CCC[C@H]12 2358470940 WXCPCNKYMXBMLH-FMMZJVGLSA-N 552.326 6.832 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2366791602 BVLUDQQJUAZDMG-SECBINFHSA-N 542.345 8.255 50 10 KKGE Clc1ccc(I)cc1CO[C@@H](CI)c1ccccc1Cl 2380353016 GKFCKXQPXYDYAI-HNNXBMFYSA-N 532.974 6.291 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651517 WGQVXNCZIWVKQM-RUZDIDTESA-N 519.395 5.921 50 10 KKGE N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]1c1ccc(-c2ccccc2Cl)o1 100879045 SXQSZXDOGTXURA-HBMCJLEFSA-N 540.826 5.445 50 10 KKGE CCc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100921752 ZJMZCVZRCHTWIO-DOPJRALCSA-N 508.092 5.873 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065571 VTTFSTBOAZKCQN-NDZAJKAJSA-N 597.263 6.351 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242951 ZPTDDYUBAYFCCL-SNFXUIRRSA-N 516.066 6.206 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101335051 JXYYGJUBTNHBPF-NRXPLXKSSA-N 540.623 5.964 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 101336635 IRIYXGLXLVFERR-YDZHTSKRSA-N 508.509 5.072 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 101339224 ZLBVNTQSOFHAEM-ZTKZIYFRSA-N 602.691 6.099 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339687 FCURSFVLTOOPAA-OGLMXYFKSA-N 572.621 5.849 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(Br)c1 101363449 ILIUPYCVBDHQLO-OAQYLSRUSA-N 526.184 5.649 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)o1 101366911 CCNSJUZLTWCKRW-MRXNPFEDSA-N 574.631 7.058 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101372190 JSRIVIJWGJHEGY-SSEXGKCCSA-N 573.602 5.765 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101372247 CPRAHUILHLTZKT-UUWRZZSWSA-N 562.666 7.174 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101374501 HIPBDKRVHFJYBU-SSEXGKCCSA-N 597.495 7.164 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 101377196 GDIYGEUNBDGVSR-JPZYQRIQSA-N 540.660 6.970 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 101378290 OZJWWVOMKKZBOO-NDEPHWFRSA-N 529.549 5.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380404 RAFNODGYUKVXNF-UUWRZZSWSA-N 556.593 6.924 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383929 JONKKORJPJMIQH-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101392522 WEUYPEYWHHJZCG-QFIPXVFZSA-N 553.423 6.663 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(C)ccc6c5Cl)ccc43)c2)cc1 101398179 HGTQFWFKFQDIPO-SSEXGKCCSA-N 593.104 8.188 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599308 FUPMHVZDBQTOTB-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC(=O)c1cccc2ccccc12 102263120 AFYYNMAWCXGHPZ-UYRXBGFRSA-N 550.920 7.285 50 10 KKGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C\c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)sc2c1 102471079 QLBZDSJVCSRLHF-DHDCSXOGSA-N 588.545 5.965 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 103726409 PNTCOHFFUSHWJF-GZZLJNBRSA-N 530.665 7.247 50 10 KKGE CCOc1ccc(N/C(SCc2ccc(C)cc2C)=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 105422890 OGMZPSOYTZGPDB-GNVQSUKOSA-N 515.635 5.828 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431548 FLYMZPBJTVPKII-LJFMQPAYSA-N 631.487 7.947 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433752 XTIXEUHRKNCFRF-YTTGMZPUSA-N 675.952 9.117 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1 150460090 CJZPIVVEOOBMMC-NDEPHWFRSA-N 629.521 8.233 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2cc(Br)ccc12 150482929 GQMLUZKVUFZVKZ-PMERELPUSA-N 625.450 7.659 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 156094822 XQGMOWDOPWWHJH-GFCCVEGCSA-N 501.813 6.598 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 195803866 PPFHNIVPOLWPCF-CRSSMBPESA-N 541.071 6.075 50 10 KKGE in-vitro CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 195811326 DPQSOLLSNCYGEP-AREMUKBSSA-N 502.929 8.863 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214305961 JPTSCNOUMBUVSD-MYYYXRDXSA-N 512.585 5.394 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc3c(c2)OCCO3)c1 232453994 KYRFLDNHHQUMHQ-OAHLLOKOSA-N 509.963 5.309 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 235816637 LKHBEWANTITHCV-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1 254346306 DIKVVMXIJQCIMQ-UHFFFAOYSA-N 550.655 6.693 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254482969 KYZPEWMZWYEJOV-UHFFFAOYSA-N 538.600 6.046 50 10 KKGE O=C(NN=Cc1c(O)ccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254838243 KWELZZXBMJRHOZ-UHFFFAOYSA-N 532.256 5.734 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]2Br 256022799 CVOSYGWIRJNZNL-UVBJJODRSA-N 525.035 5.219 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c(Cl)c2)[C@@H](CI)C1 382686894 KWQNVCIDPCEGJZ-JKSUJKDBSA-N 534.619 5.890 50 10 KKGE C[C@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504675975 LMDPTTKBLFEMRC-ZMLDLAMDSA-N 840.427 14.620 50 10 KKGE in-vitro IC[C@H](I)Sc1cccc2cc(I)c(I)nc12 575631160 UATVUZUWUAXZSP-SECBINFHSA-N 692.867 5.732 50 10 KKGE COc1c(C)cc([C@@H](Br)c2ccc(I)c(Br)c2)cc1C 721571738 ISPGYTVZZYUMOJ-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721623853 VPHLYMYYGTWUGN-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE CN(C)C(=O)c1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237516 JGMRGFTUKYFDJV-OAQYLSRUSA-N 523.964 5.421 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2(C=O)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725237970 ATNQRHBPOXAARP-DZVFLZLOSA-N 667.136 10.927 50 10 KKGE C[Si](C)(CCCOC(=O)NC1CCC(CC2CCC(N=C=O)CC2)CC1)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)NC1CCC(CC2CCC(N=C=O)CC2)CC1 725383748 LFIPRZQWYZWHJN-UHFFFAOYSA-N 849.348 10.051 50 10 KKGE CCOc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccc(OC)cc3)c2-c2ccccc2)cc1 1082936799 KCJBLTBSHSBPDT-UHFFFAOYSA-N 515.613 6.983 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1 1084031393 VZGQJRHAVHJSRE-UHFFFAOYSA-N 582.179 5.239 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cccs1 1084065384 PXIUZPGNHVIFCR-UHFFFAOYSA-N 657.098 6.607 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084096929 OFWJPDDXYIZYBE-UHFFFAOYSA-N 521.711 7.599 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084138177 CXACFSBTFJDBCV-UHFFFAOYSA-N 585.171 7.711 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1 1084201942 DMFRJJHBUCUDFC-UHFFFAOYSA-N 666.196 6.297 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084226690 BFMKNWRVLFUXQE-UHFFFAOYSA-N 601.122 7.260 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084307302 QLCKXTOWEXYIKY-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084351109 MHPMWMDLHJSTHE-UHFFFAOYSA-N 507.852 6.222 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1084416963 VDDHHSPBOLGBPC-UHFFFAOYSA-N 507.656 5.253 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 1084456323 XMYFZYHLEJJLAP-AVRDEDQJSA-N 506.386 5.532 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1C 1772754893 ISTPXQNTLVOFHB-UHFFFAOYSA-N 552.121 6.992 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1848665485 MYCARRQNTBVVPF-OSJXPWDQSA-N 521.295 9.920 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865688403 RDFPGGIURWWWMH-QHCPKHFHSA-N 561.411 5.822 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691507 UKOPRHYTXWYURL-MHZLTWQESA-N 559.041 6.797 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865693422 OFCFUYJCWUJBTG-RUZDIDTESA-N 526.568 5.372 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865693796 ZERWXQPYHYNXQU-FQEVSTJZSA-N 503.441 5.414 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1C(=O)O 1865703554 BFKNLPBEBQOCSV-INIZCTEOSA-N 509.271 5.173 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704756 DAYHWLNHUKDIJH-RUZDIDTESA-N 526.980 5.534 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708416 WNCPOOBXVCVGKB-JOCHJYFZSA-N 507.352 6.212 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3ccccc3C)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866643885 KZBRWKSIHLCOSV-NDEPHWFRSA-N 568.655 5.366 50 10 KKGE COc1ccc(CCCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866780864 XWJCYRMLJDACNS-XMMPIXPASA-N 521.614 5.105 50 10 KKGE Cc1cccc(-n2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866845989 OMMZGNJEFSPGTL-MHZLTWQESA-N 541.702 5.733 50 10 KKGE CCCC[C@H](NC(=O)/C=C(\CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867115112 VVISILJJXITHQG-QMPJNXRZSA-N 530.488 6.138 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)nc(Cc3ccccc3)n2)cc1 1868207402 MHWLPFMAWWXYCE-VWLOTQADSA-N 514.054 6.615 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCCc4ccc(N5CCCC5)cc43)n2)c1 1868505597 JOXGRAJLNMYNRH-UHFFFAOYSA-N 534.689 7.153 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccc(OC)cc3)C4=O)n2)cc1 1872744189 ISYDAWUEQZFMBF-RFBIWTDZSA-N 521.598 6.127 50 10 KKGE CC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 1911024441 UUJJJLZNRJFSBC-JKMUOGBPSA-N 511.899 6.429 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925597212 CAKRZBUTJYWVGU-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1sc(Cl)cc1Br 2003649828 NVOQTJAKUKYIKU-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2006342411 XMWVXVFPJKXFFX-SHYZEUOFSA-N 511.899 6.287 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@]23CCC[C@H]2C3)c1Br 2010968500 PDUVSGAZVDXFBL-QRPMWFLTSA-N 507.911 7.052 50 10 KKGE C[C@@H]1C[C@]1(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779593 JODZBPRQRJAPPS-XBZVRZDZSA-N 510.289 7.063 50 10 KKGE Cl[C@@H](CC1CCC1)c1c(Br)c(Br)cc(Br)c1Br 2025781669 IGPHIHZDSDAHDV-VIFPVBQESA-N 510.289 7.207 50 10 KKGE Brc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Br)s1 2033642912 NHFSIWPSIKPVEV-SNVBAGLBSA-N 535.946 7.459 50 10 KKGE C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc(OCc2ccccc2)c1 2059036947 SJYVWXMQZRKSOK-DIBXZPPDSA-N 505.621 5.282 50 10 KKGE FC(F)(F)c1ccc(N=Nc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 2059855091 CBVWKVXYQDUMEY-UHFFFAOYSA-N 525.514 8.930 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(CC3CC3)s2)c(I)c1 2142276565 FGVCBOZIIMLODY-OAHLLOKOSA-N 512.048 6.552 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Cl)c3csc(Br)c3Br)cc(Br)c2O1 2150337843 UNMKYCZUEHODJR-SREIQFSDSA-N 501.465 6.687 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1cc(Br)ccc1Br 2175142684 SRFNABAPTFUJPI-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Fc1cccc(Cl)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399453 HRHUTBCEJLZPRH-ZDUSSCGKSA-N 615.154 8.013 50 10 KKGE Cc1ccc([C@@H](Cl)c2sc(Br)cc2Br)cc1I 2213000554 MZZNQPAWIYHWRE-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1I 2248221659 UAWSGARZTAFVPG-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2scc(Br)c2Cl)c1Br 2253602937 YJRDVTCUQYFDCW-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)oc1Br 2263524059 FSLROZLBEFEZLG-NSHDSACASA-N 501.838 6.554 50 10 KKGE Cn1ncc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1I 2272734774 REYXBOOBTCHGRZ-QMMMGPOBSA-N 570.795 5.312 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1c(Br)cccc1Br 2277954968 HDGNRNMQXMWKER-ZDUSSCGKSA-N 532.295 7.259 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2280676364 DXONHRFAGNSQHB-NSHDSACASA-N 521.927 8.141 50 10 KKGE COC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(CF)C1 2281169019 KKRZPAAQHVCEOU-SKPUXYCPSA-N 602.756 6.937 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2295268333 XMZNFOKQDBPROW-ZDUSSCGKSA-N 543.944 7.592 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2297458609 KEBDJMOKMMCQAI-QHCPKHFHSA-N 536.426 5.962 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 2314415069 WGGIZAHJAPHKBS-UHFFFAOYSA-N 586.500 7.763 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314444186 MWLWOMQFTWKFGW-OAQYLSRUSA-N 572.078 7.425 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314610505 IXCRKGNUJMDMPL-UHFFFAOYSA-N 500.986 5.592 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314618169 IMTWDTDKFUUWNW-AREMUKBSSA-N 570.693 7.318 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1 2314737102 LSNXHLLOZKULLG-UHFFFAOYSA-N 504.970 5.173 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2328796761 HLRKROOWMUHOTN-VWLOTQADSA-N 508.018 5.505 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311682 NBVVYTMAWQCOGI-GOSISDBHSA-N 512.462 7.087 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1F 2331336840 CJLGULUBUYXXBB-UHFFFAOYSA-N 512.522 5.099 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1F 2331336997 PHBSKNCCJZFYPC-UHFFFAOYSA-N 512.606 7.778 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1c(Cl)cccc1Cl 2331443253 CJMCVZVJQHWRDF-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)c(OC)cc1Cl 2331471097 MNOGGNMPACXPSA-UHFFFAOYSA-N 507.793 6.022 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2331485105 RFLKJPAQBVGMDK-UHFFFAOYSA-N 516.088 6.625 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2337316275 AGYLODZXZQDQNV-SSDOTTSWSA-N 512.254 6.390 50 10 KKGE Cc1c(F)ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2338567012 UVWXELBVHMRGPZ-JTQLQIEISA-N 511.863 7.465 50 10 KKGE Brc1cccc(Br)c1CO[C@@H]1CCCCCC[C@@H]1I 2340566959 ZDVLMMQGSNDXQO-LSDHHAIUSA-N 502.028 6.255 50 10 KKGE Cc1scc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2343478530 XROAVIUJIUGVNC-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE COC[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)C[C@@H]1Br 2349807832 JJRPVKMBBRIPPI-WXHSDQCUSA-N 502.028 5.422 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360488150 BEURQQUGGCJFGA-CYBMUJFWSA-N 508.383 7.136 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2363839402 TZTQSNXXCWOTRF-JUWDTYFHSA-N 563.853 6.583 50 10 KKGE CCc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 3073166 QNYRBSJUGNMOKF-UXHLAJHPSA-N 524.602 5.221 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cccnc2)cc1 8398211 VIUARUSMBHIVQO-UHFFFAOYSA-N 519.026 5.203 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nn(-c2ccccc2)c(N)c1C#N 33921178 DXMUXLUTHQVNME-JWGURIENSA-N 522.613 5.279 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(OC)c1 35003867 ZHVBEAGOLSRYTP-HMAPJEAMSA-N 524.577 5.178 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)c(C)c1 38603610 BFHZCUUYAFWJBP-TURZUDJPSA-N 522.649 6.419 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660866 NCFIFYDHEJWUJX-PMERELPUSA-N 518.569 6.705 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660892 AQBKARKSVVCRNY-WJOKGBTCSA-N 510.549 7.069 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 38683923 KAOGXLLWODLXRV-PMERELPUSA-N 528.605 5.694 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38684747 KASHSMOWURUUER-MUUNZHRXSA-N 518.997 5.967 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 38700650 LHTRGFYGZNMUEP-MUUNZHRXSA-N 508.574 6.530 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)c1 38701148 ZTIXEVYHFKTFPD-NSOVKSMOSA-N 512.562 5.219 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814550 QGRUEGSIKQXCSE-JJKYIXSRSA-N 502.571 5.490 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100030597 MBKHUGZBVVLINZ-UHFFFAOYSA-N 532.262 5.439 50 10 KKGE O=C(Cc1cccc2ccccc12)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12 100057653 WMLHPKKDUWBVOM-BIZUNTBRSA-N 523.430 7.027 50 10 KKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 100096708 BBJPJWLKOGMBCA-ANRZLXOVSA-N 559.460 6.525 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 100238402 LXNLWRMXMNXPOW-BHEPHHETSA-N 585.528 7.062 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NC1CCCCC1 101012136 QAXYAWVONLYVAE-BWAHOGKJSA-N 537.063 7.128 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193637 IIYGYPKQFKSSRI-NTUHNPAUSA-N 518.335 7.549 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101244024 YZGUGUANYDKRPV-WWTUHYLUSA-N 576.516 6.151 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101333362 BERUSTBVJKATLJ-QCFMCPCVSA-N 606.726 8.054 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 101340763 AUARKSZGVRTNHG-NDZAJKAJSA-N 591.111 7.473 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCC(C)C 101374202 MZNPHVVXAGXJQC-NDEPHWFRSA-N 579.447 5.695 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCCC(C)C 101374867 JUMSQWQIZDETGZ-NDEPHWFRSA-N 577.475 6.710 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCCC(C)C 101375029 XCKGDJLLVWIKBS-SSEXGKCCSA-N 563.050 6.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380413 AOUYVALIRPGTKX-JGCGQSQUSA-N 542.566 6.995 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380788 PLMDOFNHXQOIKB-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1C 101382960 OGXOLXVHUKRHTH-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383918 FEMZHUZUINILIR-DHYKOVJISA-N 578.640 7.119 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)c(C)c2c1 101391352 DGSCCVUXKVLIFO-VWLOTQADSA-N 529.390 6.504 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccccc1Br 101493016 WMWVUOQTYFLPRE-UHFFFAOYSA-N 521.331 5.440 50 10 KKGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 101775365 JDQDPBGHWHEGDJ-CAPFRKAQSA-N 541.025 5.475 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CCCC2 102455452 WHODKROGLIRMEZ-DTQAZKPQSA-N 503.605 6.010 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(OC(C)C)c(OC)c2)cc1OC 102779314 VDBMFEPFRNCJOX-SSEXGKCCSA-N 575.146 5.690 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 102832959 RPMFAECIBKMOSZ-ROMGYVFFSA-N 534.660 7.443 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccc(Br)c2)cs1 103451260 LTFIVGPLUWJMSR-YUMHPJSZSA-N 579.519 8.795 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103723885 BEKWLALQYVXHOI-XIXVAHAYSA-N 519.297 5.520 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743183 UGBRJCMTWCPRPX-VECHRTTRSA-N 522.457 6.045 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 103879997 UMKNLDWNJMRZFD-QLQYKETESA-N 609.082 7.756 50 10 KKGE COc1ccc(P(c2ccc(OC)cc2)c2cc(C(C)(C)C)cc3c2Oc2ccc(C(C)(C)C)cc2C3(C)C)cc1 114351773 LEPAWVYGDSXONL-UHFFFAOYSA-N 566.722 8.489 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)cc1 150411062 AOFMLYBWJOMRHU-VKFUTGTASA-N 746.845 7.197 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccc2ccccc2c1Br)NNC(=O)COc1ccc2ccccc2c1Br 150412823 GASBIOVAOSLICT-UHFFFAOYSA-N 742.465 6.001 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 150431777 QUANQANUBHTSLA-WJOKGBTCSA-N 649.502 7.946 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C2=O)cc1OC 150498071 ZHIJJQBEBVCMAZ-KBPINPGLSA-N 705.837 5.812 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc([N+](=O)[O-])cc1 150625936 LQOYUJHVLMOLDP-VURDCNJBSA-N 628.473 5.712 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206397150 BPOBRDSGUXNQOI-ITJVIVDVSA-N 593.680 6.399 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253575765 UZWSVKILNKMAGM-LEWAKTFVSA-N 618.211 5.845 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254833046 CYBBSMXHSBAXRD-WPLGIQMLSA-N 653.352 6.414 50 10 KKGE CCCOc1ccc([C@H](Br)c2cnn(C)c2I)cc1Br 379220338 SLBWBPIWAXFGEC-ZDUSSCGKSA-N 513.999 5.060 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)cc2F)C1 382698131 MADSXRAYBUPXEZ-WMLDXEAASA-N 518.164 5.375 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589223 QKWKXYVKGFKODW-HHCSPKCOSA-N 902.115 9.177 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Cl)c2C)c1 725411129 ZISXIQYQVHFKAA-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE CC[C@@H](Oc1ccc(Br)cc1C=NNC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 1081159597 OWOVKJIDZSPCJM-QGZVFWFLSA-N 618.890 5.110 50 10 KKGE CN1c2ccc(N(CCCl)CCOC(=O)CCC[C@@H]3Nc4cc(N(CCCl)CCCl)ccc4N3C)cc2N[C@@H]1CCCC(=O)O 1083806969 GOHBGOVURSZEBR-XZWHSSHBSA-N 684.109 6.060 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(F)cc1 1084166960 IJMMQRBDWSFJHZ-UHFFFAOYSA-N 550.222 6.092 50 10 KKGE O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 1084288453 QCBJSWJCPMJLSI-UHFFFAOYSA-N 629.497 5.496 50 10 KKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)c1ccccc1 1084317146 SMXWHMBVRLFSFR-DEOSSOPVSA-N 537.685 6.140 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3C)o2)ccc1Br 1084328514 QBPCDHHNZKZBFC-PTNGSMBKSA-N 500.190 6.634 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1084510804 ANELQJZXLZQHKJ-UHFFFAOYSA-N 553.638 7.364 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cn(Cc3ccc(I)cc3)c3ccccc23)cc1 1084640433 SBSPYDZLIYDFRX-UHFFFAOYSA-N 523.374 5.457 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@H](OC(=O)C[C@@H](C)CC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536476 VKBCMZKYIQGGGT-QZZNJLBSSA-N 644.617 10.635 50 10 KKGE COc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772749892 RDEAAYZQYTUHNE-UHFFFAOYSA-N 516.381 5.391 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683991 KOGIERBQWALCCA-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865688055 HQDQPYJDLAWWJO-SSEXGKCCSA-N 520.592 7.072 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865691229 NGLWWQMWFHQPGD-LJAQVGFWSA-N 534.660 6.784 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865691627 WYODXQMDEAFBNK-LJAQVGFWSA-N 550.659 6.734 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692517 MTIAYCCWRJTGKS-KRWDZBQOSA-N 511.287 5.433 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865692597 DCEOGWQUJKTZJU-VWLOTQADSA-N 512.997 6.208 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865692653 OJFJPYSIXFDLGX-XMMPIXPASA-N 537.458 5.798 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865695764 HDKJRSZTQYZMMN-MHZLTWQESA-N 535.088 6.723 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701007 JOBVXCTWTMWATP-VWLOTQADSA-N 503.389 6.285 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701503 WZKRJTDPKCBTFP-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703228 QPNUSBURVHVVES-GDLZYMKVSA-N 555.078 6.983 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866704452 CSPWTCSDNXZHGN-WDYNHAJCSA-N 552.725 6.038 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)c2ccccc2)cc1 1866783689 ZJCFOJSAQBBGQO-XRKRLSELSA-N 527.596 6.556 50 10 KKGE Cn1nc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867095661 DGVZWSZMAKEFSW-HSZRJFAPSA-N 535.551 5.057 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139552 QHKYPGXXERPSSW-ILBGXUMGSA-N 554.137 6.320 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)n2)cc1 1868321144 WREBJNWUQFDPBP-HHHXNRCGSA-N 547.728 7.577 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1 1872781574 JXQVVIMCPFDEGX-UDWIEESQSA-N 507.442 8.159 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCc1ccccc1C 1872792433 YVRDZHKGVCQPNM-ZVHZXABRSA-N 510.615 6.932 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1OCCC 1872818031 KADFMTMLZGBKTG-NMWGTECJSA-N 510.528 6.154 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1occc1Br 1899864457 QXLJXXOBIOONJT-QGZVFWFLSA-N 501.012 6.868 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1sc(Br)cc1Br 1922946719 URTUJCIIOVIHLW-LLVKDONJSA-N 519.878 6.529 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1923055264 RFAMVWFAEOFKSI-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)sc1Br 1924585600 NOQJXVUSJPFYTH-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE [C-]#[N+][C@H](C)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951429481 WMHYSTIWSNECNE-SSDOTTSWSA-N 623.998 5.828 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(I)sn1 1983286371 PFTPVOGFTOEJPC-RXMQYKEDSA-N 578.314 6.472 50 10 KKGE COc1ccc(C(=O)Oc2c(I)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2OC)cc1 2053623136 GYFJMYWHCQKKNK-UHFFFAOYSA-N 678.233 5.744 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)c(Br)s1 2054161751 NAXQGOYPKRAWKF-MRVPVSSYSA-N 509.045 5.387 50 10 KKGE CCOc1ccc([C@H](Br)c2csc(Br)c2Br)c(Br)c1 2093942437 RZOUHAFJBMBMPY-NSHDSACASA-N 533.905 6.919 50 10 KKGE CCc1cscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472720 HIVNJGBXKOXMAN-LLVKDONJSA-N 596.802 7.845 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCOCC2)c1Br 2141473488 PMZPAZJNOMNMHM-CPCISQLKSA-N 584.766 6.989 50 10 KKGE Br[C@@H](Cc1ccccc1I)c1cc(I)cc2c1OCC2 2143869147 WJKBZDUVMJWDQW-AWEZNQCLSA-N 554.991 5.509 50 10 KKGE CCOc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1Cl 2150344771 SAAPOBSXFASVBM-NSHDSACASA-N 523.899 7.463 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Cl)cc1Br 2202352615 OEGWBBMFBZYKRA-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206396168 SXZXQJUNDAEBMP-LBPRGKRZSA-N 631.247 8.506 50 10 KKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399006 BFTWGCJJMUGIOM-RGNHYFCHSA-N 598.793 7.235 50 10 KKGE Fc1ccc(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206406045 UPNFQBMFTZSPOT-NSHDSACASA-N 550.285 7.398 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(I)c(Br)c2)c1C 2218781651 PFEATZYIRGDKAI-NSHDSACASA-N 520.455 6.823 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23COCC(C2)C3)c1Br 2250942134 KSOQBNRDOASABF-QHCBANEHSA-N 509.883 5.898 50 10 KKGE Clc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 2256125830 RCIBFMZRGXHLAF-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)c(Cl)s1 2272725569 CRWHVCJJBKQDEA-VIFPVBQESA-N 515.826 7.295 50 10 KKGE Cc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1I 2277958646 JFTUSVFOMUNYQS-AWEZNQCLSA-N 514.426 6.647 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 2297458718 ZTEMVFHRWQTNAX-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1 2313518093 HPCXYNYOXCWSPF-UHFFFAOYSA-N 566.439 6.740 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521451 PETMXYZSDSIZDB-UHFFFAOYSA-N 557.300 5.759 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570771 FXQCMBYZUSIFGQ-UHFFFAOYSA-N 618.085 8.029 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c(C)c1 2314433607 PMABVFVLXBXJHA-UHFFFAOYSA-N 501.590 6.740 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592322 QUMSLKHILHXOGP-XMMPIXPASA-N 537.563 6.087 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592664 ZVEQVWQVIBTFRF-RUZDIDTESA-N 534.037 5.812 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1C 2314610741 LUVWVOVUPNSDEV-OAQYLSRUSA-N 508.622 6.027 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314617114 QYSNKALTXADDHO-UHFFFAOYSA-N 510.565 5.904 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)C(C)=C(C#N)C2=O)cc1 2314617200 SQYWMKJENVPAFP-UHFFFAOYSA-N 641.127 7.573 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634705 BQJZVUGJOFLANN-HKBQPEDESA-N 540.616 6.110 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634722 CVVDRXDYABSPBU-YTTGMZPUSA-N 538.644 6.881 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487669 RMOZZJSUTGIIDN-UHFFFAOYSA-N 545.089 6.318 50 10 KKGE C[C@@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325106799 CSNADTILSRANKV-RUZDIDTESA-N 504.678 5.557 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc(Br)c1OC(C)C 2331468403 HUJAQYBBLJWSAP-UHFFFAOYSA-N 511.485 7.666 50 10 KKGE COc1c(C)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2362872273 HWCRXMKFGKAFAJ-OAQYLSRUSA-N 510.653 7.483 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)c(OC)cc1Cl 2363542533 UONFRFIWAORVKW-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE COc1c(F)cc([C@@H](Br)c2ccc(I)c(Br)c2)cc1F 2370436051 BSMOSGNILOQPAR-ZDUSSCGKSA-N 517.933 5.825 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)c(Cl)cc2Cl)c1Br 2379737672 ULZSDQAGIZKORL-CQSZACIVSA-N 505.834 7.450 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 14832268 COKPVEDEDSOWMU-OLZOCXBDSA-N 518.235 5.263 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 38604226 PJHJFUXXYWVDNE-XQNSMLJCSA-N 507.030 6.490 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38684023 XTCMIOSTEWNENS-MHZLTWQESA-N 502.542 5.841 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684113 IJVFKUDNHRAEAB-HHHXNRCGSA-N 500.551 5.176 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38686032 JYRPHXSUNJLORB-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1Cl 38688303 WKMBJMWZFUQQQF-JOCHJYFZSA-N 501.753 6.093 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1 39858768 BTKPYNJANUWGLB-AQTBWJFISA-N 515.367 5.412 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812926 FXENCEFEUJHVKU-OVVQPSECSA-N 500.780 5.727 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 40934656 MXBJCKAJMSAOMQ-LYBHJNIJSA-N 520.585 5.813 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Br)cc1 58889273 VJYOFHQFPKSXRH-PLIDZJGOSA-N 515.835 5.954 50 10 KKGE Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)cc1 59304071 ACZFXBDGKDBEGQ-HPNXWYHWSA-N 522.652 7.528 50 10 KKGE CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 72399858 ZIFSFLGSUTZFCP-TUQUWBCNSA-N 592.759 5.435 50 10 KKGE in-vitro CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 100236416 OEOGZGSCACMSKN-WGNDPNKDSA-N 590.312 6.153 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 101246620 SRWPXFKQUVYMGV-XHFMHKHNSA-N 541.673 6.111 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101334985 GKUJKRBEESUNOR-WKULSOCRSA-N 528.656 6.133 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C2=O)cc1 101340260 QKNBKOAXWDVDCO-VUTHCHCSSA-N 544.611 5.391 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 101372216 OGRYHZYZFIJKNS-HKBQPEDESA-N 556.659 6.879 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 101373635 KNAMCUKDYDEVOK-LJAQVGFWSA-N 530.577 5.085 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1OC 101375432 NNBJORIIQDTHJM-UUWRZZSWSA-N 598.740 8.051 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1C 101380956 NBFZWEMICFPZDJ-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388100 QVLMOUAMAFREPH-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1 101391195 HRNFRAUREXGBOR-OAQYLSRUSA-N 527.816 7.299 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 101391904 IDQRBQRBAIFSER-DEOSSOPVSA-N 554.386 6.518 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCCC(C)C 101393334 MQCYLUSOOHTIBJ-LJAQVGFWSA-N 538.600 6.612 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)cc1Cl 101394221 GTJPLHSDXAXUGQ-MHZLTWQESA-N 583.468 7.017 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 101394244 DVUSVTTXGBPEGZ-MHZLTWQESA-N 589.442 6.739 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1Cl 102665981 KMGFTDBKQKMFKW-CTHAODRQSA-N 552.881 6.476 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1C 102859663 LDKVTQMRVLRVDU-CLCOLTQESA-N 504.590 6.357 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(Br)cc(Br)c1O 104768499 NWILFRUHKBZKLB-ZVBGSRNCSA-N 574.276 5.458 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1 150431031 WXHYVJDYPQJEEE-LCVHJTKWSA-N 714.338 5.846 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 150431648 MROIKYNGFJSTBX-YTTGMZPUSA-N 645.481 6.768 50 10 KKGE C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 198042806 BIYYEQKEADNAJH-YREUUDJGSA-N 720.222 11.325 50 10 KKGE COc1cccc2c1[C@@]1(c3ccccc3O2)c2ccccc2Oc2cccc(P(c3ccccc3)c3ccccc3)c21 209270203 KXSCTQSEBVZYDE-KXQOOQHDSA-N 562.605 8.048 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214334149 LTQZBIUEOGDXAI-QFQBXLQXSA-N 556.666 6.928 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214392825 WSXIBSWKCUDDAA-FSGOGVSDSA-N 558.638 6.129 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214433591 ZNEFMZMYJHOQCG-QXPFVDMISA-N 630.701 5.599 50 10 KKGE COc1ccc([C@H](Br)c2csc(I)c2)c(OC)c1Br 224852053 JKNOIGCBYMAORP-LLVKDONJSA-N 518.008 5.617 50 10 KKGE Clc1ccc(I)c([C@@H](Br)Cc2cccc(Br)c2)c1 236068917 WQPUQBULTHKDFL-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 253537502 IDKDEJKAOLGAAX-JUTLOXCPSA-N 604.619 6.173 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 254414030 YJHBVRKBPPYAGF-UHFFFAOYSA-N 554.764 6.629 50 10 KKGE CCOc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccccc3Br)c2-c2ccccc2)cc1 254736007 CRHZXOKGQNGZCB-UHFFFAOYSA-N 564.483 7.736 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)ccc21 254739619 QKOCTYKIHNTFFE-UHFFFAOYSA-N 530.657 6.305 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2-c2ccccc2)cc1 254818133 HWBLGPRZXUGPQN-XTQYNGJDSA-N 504.015 5.417 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254844938 QWDLVQJMATZUAK-UHFFFAOYSA-N 581.754 6.581 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)n2-c2ccc(OC)cc2)cc1 254873197 KMOQCOBECNIZKK-UHFFFAOYSA-N 609.708 5.782 50 10 KKGE COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N@+]1(c1ccccc1OCCBr)CC2 256434768 NPSIQLUTTDUDNB-DLLPINGYSA-N 555.489 5.856 50 10 KKGE CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 299804148 CSMHROULSVMVLH-HDPSDCRVSA-N 547.891 8.143 50 10 KKGE COc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382708737 WAQBLILSAQLUEA-CRAIPNDOSA-N 530.200 5.245 50 10 KKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CC[C@@H]3/C(=C/[C@@H]4C5=C(CS4(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C5)CCC[C@@]32C)cc1 605692252 IIIFNYBSFCNRAE-ANYNEFIJSA-N 793.294 10.147 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1ccccc1 725240297 XRADZRBVVKUYBE-QPPBQGQZSA-N 521.004 6.834 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 725385435 GPQZCRIFFYHWGB-UHFFFAOYSA-N 585.513 6.110 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 725399949 GXUWOVJAMYRTMO-JOCHJYFZSA-N 526.247 6.843 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084116003 IONAVCQAFXLWLS-MHWRWJLKSA-N 520.185 7.020 50 10 KKGE CCOc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084117661 CQYNFRORHAOIFH-UHFFFAOYSA-N 576.118 6.597 50 10 KKGE C=CCc1cccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 1084154715 CXEUJOYMZIDETC-UHFFFAOYSA-N 525.678 5.509 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2cc(C)cc(C)c2)cc1OC 1084234047 VSKJZHRZQXNOJH-UHFFFAOYSA-N 588.730 5.382 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 1084237773 FUEXGHDLUHFUHO-DEOSSOPVSA-N 624.757 6.807 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084280860 WWJADFGHWSNKTQ-UHFFFAOYSA-N 548.220 6.854 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(I)cc1 1084525829 SCIPOUYBKGEMLP-UHFFFAOYSA-N 731.122 6.756 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 1084526483 FXKCDVJYWZINSL-UHFFFAOYSA-N 507.037 7.278 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 1084527089 GSFQVCKQYKAQQV-LPYMAVHISA-N 505.387 6.750 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084572912 KREYLMGAUIBOJF-UHFFFAOYSA-N 685.187 7.261 50 10 KKGE CC(C)(C)OC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](F)C3)cnc2N)cc1F 1531862227 JNRFXJPLJBKLSF-BSLALVQMSA-N 519.709 6.816 50 10 KKGE O=C(N/N=C1\c2ccccc2C[C@H]1NC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 1616058274 RVBVRPOPLZAKSS-UGSPPVNVSA-N 560.532 6.258 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CC(C)C 1772720229 GBEKNZAFUBKFLN-UHFFFAOYSA-N 541.449 6.109 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744583 XFMNKJYODAOANM-UHFFFAOYSA-N 545.231 5.836 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749415 KUWTYARMOKNDAJ-UHFFFAOYSA-N 550.826 6.045 50 10 KKGE CN[C@@H]1CC[C@H](O[C@H]2C=CC=CC[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@@H]2OC(C)=O)[C@H]3OC)O[C@H]1C 1848435384 MGIACLJTFQJLSW-MXALXTEASA-N 985.339 5.741 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688481 SPMUFLABHDIULD-XMMPIXPASA-N 505.405 6.181 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688992 GVDBVCCXHIRRBL-GDLZYMKVSA-N 506.606 5.993 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690565 VAQTZOUQBBIAAJ-MHZLTWQESA-N 506.606 6.012 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865690892 DMGMYSMBISGOOM-DEOSSOPVSA-N 540.586 6.445 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OCC 1865691094 JAJVJDCHYBHCCC-RUZDIDTESA-N 502.615 5.764 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694496 YOTJJIPLMUXDLQ-PMERELPUSA-N 575.068 7.307 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865696742 QTUDFYWBRBCQGD-AREMUKBSSA-N 521.061 6.333 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696854 RWPSKSXMPXVLAZ-JOCHJYFZSA-N 579.838 5.896 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701093 LRXHFNGTKVYMGQ-SFHVURJKSA-N 509.315 6.026 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702741 DBTSKXIKFARSFA-MHZLTWQESA-N 529.015 6.392 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703870 HPTRNMCVZHBALP-AREMUKBSSA-N 572.974 7.495 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865703941 JDYZMTGVMJJSMC-QHCPKHFHSA-N 504.512 6.262 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3cccc(F)c3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866654933 MDEAEUIHJOTRPY-HHHXNRCGSA-N 572.618 5.196 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866973536 LFIYNFJCCXUSFY-UIOOFZCWSA-N 582.589 6.819 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1Cl 1872728868 YGWBTSCMEYAVEL-RCCKNPSSSA-N 508.018 6.969 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872751847 WTZANSNDNYZHDF-VHBBHFJJSA-N 515.635 6.230 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 1872791705 PHBPFOCGGFFUGM-RQZCQDPDSA-N 513.413 6.205 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873920338 DKZUCZGSENNVRW-PDQXICHASA-N 503.580 5.331 50 10 KKGE O=C(N[C@@H](CCSC[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893204355 DCGSZQLPLDHQFO-WCJKSRRJSA-N 504.446 5.275 50 10 KKGE Clc1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923055017 NHFVKJWZSCXTPP-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)sc1Br 1923055789 YVIZGADREWZNJI-RXMQYKEDSA-N 564.771 7.841 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923067151 ZAQRHGNPYREQHZ-SECBINFHSA-N 538.324 7.482 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924594168 KUPSYYUNNUKIIJ-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2COc3ccccc32)c1Br 1924596186 KJFBLERKIXPUQL-GMSGAONNSA-N 531.889 6.648 50 10 KKGE N[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2025779218 DUTSQSGWSMNIJI-QWMRMABFSA-N 555.728 5.910 50 10 KKGE Fc1cc(-n2nc(CBr)c(I)c2C(F)(F)F)ccc1C(F)(F)F 2079251312 RHNOCCOPDOWKCZ-UHFFFAOYSA-N 516.980 5.549 50 10 KKGE Fc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1I 2083317676 INMXZBPUPGZCBU-GFCCVEGCSA-N 548.813 6.440 50 10 KKGE C[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2085496914 YOYLOQCRJXZICG-CQZAFVHCSA-N 570.739 6.740 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3sccc3I)cc(Br)c2O1 2090468630 XTIGEIKZRHULEZ-JVXZTZIISA-N 514.020 5.923 50 10 KKGE O=S(=O)(c1cc(CBr)ccc1Br)N(CCC(F)(F)F)Cc1ccccc1 2123270622 YVRULUGELQXWLO-UHFFFAOYSA-N 515.189 5.487 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)Cc2ccccc2)c1Br 2141468817 NXKRPQKKMDMWHU-VIFPVBQESA-N 576.746 7.415 50 10 KKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H](C)O1 2141471655 UTAHASODWJAADE-MNRJBDMISA-N 584.766 6.986 50 10 KKGE C[C@@H]1COCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476662 DYPPJHGISCTLAC-FRSIUCEKSA-N 540.315 6.689 50 10 KKGE CC(C)CO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 2165530444 JHUHTLMQCZULOU-MBNYWOFBSA-N 535.896 5.930 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398931 AJTDYRWOOYXRPE-LLVKDONJSA-N 659.605 8.123 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207260518 GNQISIOCCGWSRM-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE Brc1sc(C[C@H](Br)C[C@H]2CCCO2)c(Br)c1Br 2216390944 DLVQQVPCSYCOJB-RNFRBKRXSA-N 511.899 5.911 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Cl)ccc1I 2218801209 RYPXAEVZBPULDQ-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(Br)c(Br)cc2F)c(I)c1 2225635111 STDHZPUQCWUMLP-ZDUSSCGKSA-N 522.352 6.423 50 10 KKGE Clc1cc([C@@H](Br)Cc2ccc(Br)cc2Cl)ccc1I 2229155880 XYDYSGTZCBOFOR-NSHDSACASA-N 534.844 7.039 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2232159982 DRBDATMFEHPMRK-QMMMGPOBSA-N 528.318 7.865 50 10 KKGE CO[C@@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234057414 BBWRAFJCKYROEQ-HXUWFJFHSA-N 516.661 5.922 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)c(C)c1Br 2235612070 YTYAZAOMDMTATQ-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1Br 2236111856 WWMWASBCMOTCTR-NSHDSACASA-N 537.793 6.876 50 10 KKGE COc1ccc([C@H](Br)c2ccccc2I)c(Br)c1Cl 2268264082 OXNIWFYVPXBYKE-GFCCVEGCSA-N 516.398 6.200 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2296647868 SFYQQTMPUDCZLJ-UHFFFAOYSA-N 625.125 6.335 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297453360 KEIURNDKERNHRI-UHFFFAOYSA-N 519.207 6.962 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314448234 GHAPAGZPCPZBSP-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc2noc(-c3ccccc3)c2c1 2314489636 UFBDILHWRUEGPU-UHFFFAOYSA-N 519.582 6.946 50 10 KKGE BrCC1(CSc2cc(I)ccc2Br)CCOCC1 2316386084 CFDKOLGYLCREIU-UHFFFAOYSA-N 506.041 5.338 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1Cl 2331398241 WWNJORKGVGVYQB-UHFFFAOYSA-N 513.962 6.223 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCC[C@@H]3C[C@H]23)c1Br 2333303577 KLHDTQIGVBEZGB-VXDIOVFMSA-N 580.778 7.609 50 10 KKGE FC1(F)CC[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2335362619 BHMPPWUCYKZYGI-NTSWFWBYSA-N 590.720 7.608 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@H]1CO2 2359125182 YCAUZMBBQUPEEO-KOTJTBMTSA-N 552.326 6.832 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362223031 FLUZDYBPOGIIPP-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 935221 RNZWEIKYBFWLKG-CHTIKVTKSA-N 502.039 5.434 50 10 KKGE COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3661561 BMAWORQHXZYGCV-KKMKTNMSSA-N 570.322 6.050 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)sc(C)c1C 29492373 QDPDGDOEZOSPED-ZHGFHMGHSA-N 574.706 7.443 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 35519637 VUEHHUHSGTZYON-STZFKDTASA-N 508.599 7.321 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)oc2ccc(F)cc12 38701136 YRBDZVKJIKAWRN-NDEPHWFRSA-N 526.564 6.743 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 58889095 BOMUZNSRVNWHGG-XQFNZYGSSA-N 517.423 6.145 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1cccc2ccccc12 59475529 XTIGBYIBAIGFSR-FDAWAROLSA-N 506.635 5.625 50 10 KKGE Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)ccc1I 100133258 VBYBWHFRQKGMDM-UCQKPKSFSA-N 531.397 6.706 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1 100235543 XVRBQLVYDWNYOX-ABZYITTCSA-N 529.406 5.530 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335662 MVBMKXLDUXKLIU-YBFXNURJSA-N 569.355 5.641 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 101241201 NCNPXFLJOOCAAC-BIFPNOLRSA-N 539.701 6.171 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242334 XWCGGUNVQQSYMX-CKVBZJJFSA-N 528.417 5.338 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101307480 YDADCCYWABHXTA-GDLZYMKVSA-N 536.584 6.369 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 101336158 LSQFMNFTLWURTR-BUVRLJJBSA-N 528.584 5.094 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1 101367279 LDUDJCDHORRUFT-HKBQPEDESA-N 613.464 6.239 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1 101367462 IMOLOWBYFMXENG-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1 101367465 POKNBZMNYMFNSH-YTTGMZPUSA-N 597.067 6.747 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101375037 CGVDYVMNFOWGGN-HKBQPEDESA-N 556.659 6.736 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101376144 ZHOUSFZPOZNCPI-MHZLTWQESA-N 567.469 7.254 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 101376364 VFDIBXGHVKRSBF-GDLZYMKVSA-N 533.024 6.420 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Br)cc5)ccc43)cc2)cc1 101378479 BFBRMYRNDQXZPN-LJAQVGFWSA-N 567.439 6.774 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5Cl)ccc43)cc2)cc1 101378654 CHFAGBORXKZSDN-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381181 DCHMXZVQRDIVSI-KSVGTTCFSA-N 599.470 7.418 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 101382343 HWKGFDZOPIVSJT-WJOKGBTCSA-N 532.596 6.410 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc(OC)c1OC 101393443 AHAJBADQPTYALM-HSZRJFAPSA-N 583.449 6.671 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101395425 ZOVDZMVARKVSKE-HKBQPEDESA-N 566.654 7.373 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 101493369 UITBRQMJPYSKIS-UHFFFAOYSA-N 521.877 5.239 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 103876549 RYAXVZBAFNBKAH-KEIPNQJHSA-N 529.596 6.494 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 104992992 PICJIJMIVCFXRT-YQYKVWLJSA-N 608.161 7.766 50 10 KKGE Cc1c(Cl)cccc1-n1c([C@H](C)N(CCC(C)C)C(=O)[C@H](Cl)c2ccccc2)nc2ccccc2c1=O 109382035 FJOHNWVZEOZRDK-KDYSTLNUSA-N 536.503 7.263 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1OCc1ccccc1 150413029 XTOQLNXHKHNRHI-VTNSRFBWSA-N 624.329 6.995 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150443354 LTLFSERFOKTCEG-WJOKGBTCSA-N 641.120 8.417 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150462017 DLKGNVGQJJAPSX-NDEPHWFRSA-N 698.411 9.540 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(Br)cc1 150475524 XTYAATNFZGKKDG-KRWDZBQOSA-N 649.539 7.919 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479295 KZUGQETUTSYYBR-SSEXGKCCSA-N 652.328 7.537 50 10 KKGE CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)NN)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)NN)C2 162613325 SLOXSNUETISEHJ-UHFFFAOYSA-N 793.062 7.702 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)C(=O)C(=C1C)C2(C)C)[C@@H](O[Si](CC)(CC)CC)C[C@H]1OC[C@]13OC(C)=O 196047577 MGJAFORIYQRETF-AXGRGOHUSA-N 771.109 7.349 50 10 KKGE in-vitro CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205781574 BQTDGJXBQSKGDF-AOYMVWLXSA-N 678.836 6.357 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](CC)C2 209407738 BUQGWMMXJAEAJR-LORYXUCWSA-N 514.647 6.564 50 10 KKGE CC(C)=CCC/C(C)=C/C=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 252460616 GTYAFIHSBWZLRY-YMOLAFSYSA-N 508.254 6.538 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)c(Br)c1 252598011 CXCWBJFTVYASII-UHFFFAOYSA-N 666.322 6.488 50 10 KKGE CC(=O)Nc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 252616793 KFJABYXMMQXPAE-UHFFFAOYSA-N 566.989 5.053 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nnc2-c2ccccc2)cc1 254305339 NHRUADRAPWDECG-UHFFFAOYSA-N 549.656 6.368 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSc3nc4ccccc4s3)cc2Br)cc1 254404397 BBAONPJKKYKBJC-UHFFFAOYSA-N 576.519 5.377 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1 254448888 HVPQVDJNRRURAS-UHFFFAOYSA-N 519.630 5.852 50 10 KKGE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@]12C)OO4 254520827 OZOBOQMZNAZDEM-KJMQAEEASA-N 530.749 8.258 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccccc1F 254573915 ZKCKSVYMGUGHBZ-UHFFFAOYSA-N 509.629 5.319 50 10 KKGE O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254652604 CEANECYHZNFOMP-FYVHFSNHSA-N 542.595 5.340 50 10 KKGE C[C@@H](CCBr)CCOc1c(I)cc(Cl)cc1I 310419799 OAILPBKIUBFSPU-QMMMGPOBSA-N 543.408 5.739 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)c1 616691115 SQGVMUQEOUSHLK-SANMLTNESA-N 507.772 6.786 50 10 KKGE Brc1cc([C@@H](Br)c2sccc2Br)ccc1I 721588848 PZAFBMABZXERGH-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Clc1cc([C@H](Cl)c2ccc(I)c(Br)c2)sc1Br 721589754 UTVOLDUELSXEDZ-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CCCCOCCOP(=O)(OCCOCCCC)OCCOCC[C@H](C)O[Si](C)(C)C(C)(C)C 888085579 TTZFZWQVTYJOCA-QHCPKHFHSA-N 528.740 6.595 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1083907686 DIDVIHDWVSDJNH-UHFFFAOYSA-N 643.121 6.205 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 1083994829 QFEZDKNALXYGDM-MHZLTWQESA-N 608.476 6.386 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084018282 VLULLXBJZGUTNN-OEAKJJBVSA-N 561.867 5.809 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1Br 1084035736 RJJKVWSSBHVMJV-UHFFFAOYSA-N 522.624 6.208 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1084049956 YITPSIVDHYNJFN-DEOSSOPVSA-N 682.309 5.904 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 1084051736 HHLZRDNFIMVEGZ-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084097648 NHBCWKUCZCEJJR-UHFFFAOYSA-N 532.427 7.490 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1 1084118352 CODUXRDHJXLHDJ-UHFFFAOYSA-N 607.574 5.549 50 10 KKGE C[C@H](Oc1ccc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1)C(=O)O 1084141225 GGGZXGFSHUOQAN-QHCPKHFHSA-N 529.596 6.427 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084305877 LUWZLMTVXQHTOR-LZYBPNLTSA-N 624.218 6.639 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1ccccc1Br 1084306572 QNMCRXCCTKUMAM-UHFFFAOYSA-N 661.075 6.001 50 10 KKGE COc1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 1084381736 UIYSMGKIBHOFLL-UHFFFAOYSA-N 529.666 5.092 50 10 KKGE N#Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)c1cc2cc(Br)ccc2o1 1084381800 WUYIVHYTDKYEAN-UHFFFAOYSA-N 553.210 6.172 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 1084386197 VHCIUEMROVCPFG-UHFFFAOYSA-N 585.465 6.113 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1OC 1084447805 PZSYYLXYNZAEJU-UHFFFAOYSA-N 609.148 5.727 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084461394 ROXIMWLEQMIOLU-UHFFFAOYSA-N 624.568 8.840 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccccc3)o2)cc1 1084517219 XRDAJMFFSQFXNS-UHFFFAOYSA-N 596.061 5.131 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 1084606604 ODJJHFBUIYUUGZ-UHFFFAOYSA-N 514.673 6.622 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 1084651798 MEJZKGOODOQVHS-UHFFFAOYSA-N 524.418 7.239 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc2)cc1 1084656575 FNUDRAUNQFIPHD-UHFFFAOYSA-N 555.281 5.410 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653180 PWQMRHXURQBUGJ-QOVYCKLGSA-N 550.511 6.859 50 10 KKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746836 HSDCPAWCYHYZDB-UHFFFAOYSA-N 507.406 5.392 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(Cl)cc5Cl)c(C)c43)coc2c1 1772751926 IDJPDXGTJZDOOM-UHFFFAOYSA-N 539.415 6.876 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccccc1 1772754648 NDUOBCMLTPSWKN-UHFFFAOYSA-N 525.443 5.998 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685744 MGHNZTIEVIEOHC-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)c(O)c(OC)c2)cc1 1865689643 VEMVRWJTONUDJF-QFIPXVFZSA-N 545.393 5.243 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OCC 1865691057 IEQHQBSFZUYTSD-MHZLTWQESA-N 518.633 6.209 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865691309 PEAHTBXONIGIBT-VWLOTQADSA-N 565.512 6.279 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cc(Br)ccc1O 1865695269 BAIKMXKBHUTKOD-JOCHJYFZSA-N 517.358 5.424 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696462 NJKGDAVDYAPSHB-JOCHJYFZSA-N 517.383 5.283 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697463 TWWBTODVJZWFQX-OAQYLSRUSA-N 543.849 5.866 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700508 VWYUTFLCXXATCA-DEOSSOPVSA-N 528.399 6.554 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700967 INKUWFIKGMFFRS-LJQANCHMSA-N 504.896 5.381 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701297 ROOISQFTSUSLII-HXUWFJFHSA-N 537.369 6.662 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865704326 SNARHQFBIWCIAW-HHHXNRCGSA-N 541.051 6.665 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709330 URMIGINYOQVEBP-DEOSSOPVSA-N 561.425 5.919 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868301720 VRBVAFZQZVQZOA-AREMUKBSSA-N 518.646 5.715 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1C(C)C 1872753661 IAHJDFMVIQZCLT-UZYVYHOESA-N 518.551 5.248 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CNC(=O)c2ccc(Cl)cc2Cl)n1 1872755334 IQAAZFPURNALIR-CYVLTUHYSA-N 508.814 6.310 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(Br)c1O 1872794125 LIPDVCFSWLINMO-MKMNVTDBSA-N 505.821 6.712 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c1Br 1922886495 XJALCBSMPUCLCU-QMMMGPOBSA-N 507.900 7.567 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cccc(Br)c1Br 1924063618 TUQPZKGWNOFYQQ-SDBXPKJASA-N 512.865 6.609 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 1943034618 VJSHUAJTSHUIOB-SNVBAGLBSA-N 523.935 7.144 50 10 KKGE CC(C)(C)OC(=O)NCCN(CCCCCCCCCBr)CCNC(=O)OC(C)(C)C 1999504147 PBLCHMLLIVAYBY-UHFFFAOYSA-N 508.542 5.463 50 10 KKGE COc1sc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2034641727 OBMDQFDAZMTUNX-NSHDSACASA-N 522.427 6.215 50 10 KKGE C[C@@H]1CCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495124 HQMJMNRKWXVBMY-HHSDFAELSA-N 524.316 7.453 50 10 KKGE FC(F)(C1CC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497898 JGJORMPVRRYRDO-SNVBAGLBSA-N 576.693 7.218 50 10 KKGE Fc1ccc([C@@H](Br)Cc2ccccc2I)c(F)c1Br 2087569555 HYWURHMQJKMHMA-JTQLQIEISA-N 501.934 6.011 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c(Cl)c1Cl 2115931411 RZIQNTUISDNHSO-ZETCQYMHSA-N 504.285 8.262 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141470457 HFIYRADGGMGWKQ-QWHCGFSZSA-N 540.315 6.833 50 10 KKGE C[C@]1(C(F)F)C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470567 IFPJGOOKPROMOT-RHYIXAIDSA-N 590.720 7.464 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)(C)C)c1Br 2179825523 ICIWCENXXKKYFD-MRXNPFEDSA-N 517.327 6.278 50 10 KKGE Cl[C@@H](C[C@@H]1CCCOCC1)c1c(Br)c(Br)cc(Br)c1Br 2206396135 SPGWGWPRHVNAOE-KCJUWKMLSA-N 554.342 7.223 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCC[C@H]2OCC3)c1Br 2206397251 HCNZUHYTMLROGN-BIGNPOOSSA-N 596.777 7.132 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)cc1I 2207260926 RYYBLZSRLNWPCC-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE Cn1nc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2226975350 VPZDKUSARVYOKG-MRVPVSSYSA-N 602.144 5.956 50 10 KKGE C[C@@H]([C@@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234062777 CCRQGYVARCWMQP-GOEBONIOSA-N 511.689 6.383 50 10 KKGE Fc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2277959754 WMWAFEUGHHENRY-CYBMUJFWSA-N 515.840 6.792 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1F 2279160687 YGGZOLVHWFLTCR-AWEZNQCLSA-N 532.416 6.947 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Br)c(Br)c1Cl 2283563912 PFHLPBDFYJNLAM-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE COc1ccc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295337118 FUKOJYSJCKJNAO-HNNXBMFYSA-N 527.876 6.661 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc(C=NNC(=O)C(=Cc3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc1 2295482998 PMXCKCPWIVRSAE-UHFFFAOYSA-N 588.664 5.301 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2296636702 IVAFWGHFMDWKIX-QFIPXVFZSA-N 530.383 6.337 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(I)c1 2301797737 BAIGLYNPTLNDHN-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c(C)c1 2313549363 UOPIXZSCKBNFFC-UHFFFAOYSA-N 521.617 7.485 50 10 KKGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)c1 2313556730 JUNAEIQHIKVQKW-UHFFFAOYSA-N 687.319 6.530 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 2313568566 USXTZALJYCFDQR-UHFFFAOYSA-N 598.238 6.358 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl 2313570932 JKLSUGPVNNJPNH-UHFFFAOYSA-N 576.705 8.262 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592611 YOTOKUMOWJQZNW-RUZDIDTESA-N 552.483 6.766 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593582 POHCKRAJAJKVCT-JOCHJYFZSA-N 526.445 5.946 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 2314634751 GHHIWSDXUUUPFW-HKBQPEDESA-N 593.507 7.654 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 2314717031 HUVFLYLOFZETGG-RPWUZVMVSA-N 575.684 7.218 50 10 KKGE COc1cccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1OCc1ccc(Br)cc1 2331051544 JQJHIDHEJJPUNP-UHFFFAOYSA-N 523.339 5.780 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)cc1C 2331259867 MLFUMNAPOALVTN-UHFFFAOYSA-N 519.848 7.195 50 10 KKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331397972 OMWFJXANLMGEJS-UHFFFAOYSA-N 505.423 6.958 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2331462706 HKADIGZXUPCMGC-UHFFFAOYSA-N 519.411 7.493 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OC)cc1Cl 2331471010 FDCWLCZDQXXHMM-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2scc(Br)c2Br)c1Br 2337085330 WZMIDMOPJFDKNE-SECBINFHSA-N 576.732 7.919 50 10 KKGE Clc1cc(OCc2cc(I)ccc2Br)ccc1CBr 2341781610 WJLWWMGLYXRDEQ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Clc1cc(I)c(Oc2ccnc(Cl)c2CBr)c(I)c1 2344733896 YAMPSTWPRRGZPP-UHFFFAOYSA-N 584.804 6.285 50 10 KKGE CC1(C)C[C@H](CBr)CN(Cc2ccc(I)c(Br)c2)C1 2349862627 PLSNYWFEZPJUEO-GFCCVEGCSA-N 501.044 5.297 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360480968 HBFLEMFFKKKMEK-JTQLQIEISA-N 509.826 6.184 50 10 KKGE CC(C)CO[C@H]1[C@@H](OCc2cc(I)ccc2Br)C[C@H]1Br 2367602324 ROUBJKLKXAFIDA-QLFBSQMISA-N 518.027 5.147 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)cc1OCC 6167414 WJPDBHMJIBTKOP-UXVJLIRGSA-N 623.772 6.679 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38682614 IXDCDBWJKIAEDT-LJAQVGFWSA-N 504.611 6.364 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684270 FDFTUOHFMXYSQZ-LJAQVGFWSA-N 514.578 5.105 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38686198 XKXHHTUBEVPATG-URAOTHONSA-N 526.633 6.409 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686578 RCDGAAWTCVULEO-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 58892476 OQLBFEOXVONACA-RJNBOEKGSA-N 501.808 5.645 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1OC 97914965 FUPCTACWPVLLSY-MUUNZHRXSA-N 531.093 5.640 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C(\C=C\c1ccccc1)c1ccccc1 100055160 YZPNVCJJMMMBMA-DPKTVHRHSA-N 528.244 6.133 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100145629 ZGFBPVPPLRIEML-DQEYMECFSA-N 612.727 5.253 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243988 APHDCEZYZNWDHD-DXGLNIFFSA-N 566.510 6.696 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101368130 UDYPJIZCVFHOPM-PMERELPUSA-N 563.050 6.429 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386755 VKJYWASHGSBGFT-JGCGQSQUSA-N 580.612 6.638 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101390596 HRTLJEQMPOMOCF-XMMPIXPASA-N 531.362 5.950 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1Cl 101391972 GOVZAYLVPHEMDJ-XMMPIXPASA-N 578.279 7.916 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccccc6c5C)ccc43)cc2)cc1 101397422 RPEOACBPXFXYIC-HKBQPEDESA-N 542.591 7.066 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)CC1 101397504 VBNQAQWQANBLSK-CMYVPTINSA-N 550.699 7.694 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2c1 101397928 ROEVVZLYYRMXAS-JGCGQSQUSA-N 574.608 7.459 50 10 KKGE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 101405843 GEEQCOLORHPYMZ-QSRSGOJESA-N 588.689 5.073 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2Cl)c1[N+](=O)[O-] 101479303 AIXBZXIJGWJRLA-UHFFFAOYSA-N 533.117 7.688 50 10 KKGE Cc1cc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(Br)cc4Cl)cc3)[nH]c2cc1C 102519987 ATQUOTBBWUEPRW-WQRHYEAKSA-N 535.829 6.677 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 103732810 ARCIRRUJPUDGRS-UHCIHMBKSA-N 565.455 6.194 50 10 KKGE CC/C(C)=N/NC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 103749358 LQPOINBKFVOUSN-TURZUDJPSA-N 558.498 5.677 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1 103755102 PNMDXQLMSMYYAS-CIAFOILYSA-N 538.385 6.041 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)N/N=C/c1cc(Br)cc(Br)c1O 105660878 WKJMKTFAEGWFLJ-LSHDLFTRSA-N 534.046 5.022 50 10 KKGE O=C(C1CCCCC1)N(/N=C/c1ccc(Br)cc1)c1nc2ccc(Br)cc2s1 138961137 FHRNVWBOLVKBFW-ZMOGYAJESA-N 521.278 6.769 50 10 KKGE CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 142750682 APKSFMCFWBVVSU-BAQADLOWSA-N 535.776 10.126 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432955 JDQZMKHFIHFWHJ-XIFFEERXSA-N 645.539 7.791 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433725 DWGAKAKIXQKNEF-XIFFEERXSA-N 655.534 8.772 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462661 KOLIVCSSUUMECO-GDLZYMKVSA-N 647.511 8.372 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150471627 DTQNBBIWFGALOM-SSEXGKCCSA-N 652.328 7.537 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 150481937 GMMREQZLCNJPCR-MUUNZHRXSA-N 633.940 8.878 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 150497285 AIGNWHCFSJQTDT-KCSSXMTESA-N 655.110 7.293 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 163797407 PCTPEMPYQYZYAW-KKMKTNMSSA-N 701.096 6.747 50 10 KKGE BrCC1(COc2c(I)cc(I)cc2I)CCCC1 166055240 GSBVAJIRZWTKSG-UHFFFAOYSA-N 646.870 5.835 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214259267 ORNFQVMQVQSMFX-CPYLFOLBSA-N 524.690 6.822 50 10 KKGE COC1=C(OC)C(=O)C(CCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O 221362297 VCMDZAIFHNAYLO-UHFFFAOYSA-N 597.756 7.854 50 10 KKGE CCCCCCCCCCCCCCCCCCN1C=CC([C@H](Br)[C@H](Br)c2ccccc2)=CC1 221700757 UPJSCLAKBCNHJT-JSOSNVBQSA-N 595.548 10.903 50 10 KKGE Fc1ccc(C[C@H](Br)c2cc(I)ccc2Br)c(F)c1 236170381 RWUJJDOPMYKSLP-ZDUSSCGKSA-N 501.934 6.011 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc(OC)c1OC 254442625 GHCOPTYLWULEBL-UHFFFAOYSA-N 571.581 5.221 50 10 KKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254527417 XTUGZJAXBDPEDR-UHFFFAOYSA-N 553.273 7.252 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254567475 QPPBEZOXHMURLO-UHFFFAOYSA-N 551.638 6.801 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254815950 GLZJEJORZCPFIE-XYIIKGFCSA-N 529.559 5.723 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1 254846361 SAVXCBSXZVUBIA-UHFFFAOYSA-N 544.607 6.719 50 10 KKGE Brc1cc([C@H](Br)c2cc(I)cc3c2OCC3)sc1Br 302516044 NZHIYLKDMLGJGM-LLVKDONJSA-N 578.889 6.297 50 10 KKGE CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)OC(=O)[C@H]1[C@@H](C=C(Br)Br)C1(C)C 504766827 FYIFWZPBCSITQE-GAJNKVMBSA-N 577.933 5.863 50 10 KKGE in-vitro CCC(C)(C)C(=O)O[C@H]1C[C@@H]2[C@@H](O)O[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)[C@H]2Cl 575232404 SDRWSRCEUKKHJY-ORHQMAMBSA-N 599.281 6.364 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Nc4ccccc4)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 575418335 JDTKCDCRSRWMSD-GRDZGFKTSA-N 701.150 8.852 50 10 KKGE in-vitro COc1ccc(O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](OCc3ccccc3)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1 616626079 PSPADXNBRMVELS-LSDMBWQPSA-N 619.787 5.432 50 10 KKGE Cc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 719573156 HCTCUZCCKJLTQV-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE BrCC(CBr)(Cc1sncc1Br)c1cccc(Br)c1 719879100 NRKBWDIIONVJHV-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCCCCCCCCCCCCCC)O[Si](C)(C)O[Si](C)(C)C 725418049 CEKLMLQMBYUCSK-UHFFFAOYSA-N 945.926 20.432 50 10 KKGE Cc1cccc(COc2c(I)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2I)c1 725445072 VRALNPGLIAFBRE-QHCPKHFHSA-N 654.286 5.747 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/C(=O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069107 OOEFJWPTKXCMDU-PBYZEODXSA-N 639.126 11.358 50 10 KKGE C[C@@]12CC[C@H](O[C@@H]3CCCCO3)C[C@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H](CI)CC[C@H]12 1076432074 VJCWEUYDXCVIJK-SBZMBZKYSA-N 500.505 6.992 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1083885836 PQLFWADMKFRQIM-UHFFFAOYSA-N 521.042 5.093 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1cccc(Br)c1 1084018231 YYTPZQUZZVSJAA-UHFFFAOYSA-N 528.472 5.186 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 1084127821 DTDTYHNBVZQTSI-UHFFFAOYSA-N 546.608 5.812 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084145511 USGWSDXSOHNVFN-UHFFFAOYSA-N 563.191 6.753 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 1084364493 RDPPUXUSDXMYAH-UHFFFAOYSA-N 517.614 6.837 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccccc4F)c3C)sc3c2CCCC3)cc1 1084372656 YDIMBNXOZDEHSJ-UHFFFAOYSA-N 528.653 6.498 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084407553 OMKXEXQJAJNKAS-LZYBPNLTSA-N 570.687 8.477 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 1084430065 VZEADSZJHFAEFD-XMMPIXPASA-N 586.439 5.308 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084485203 RZVUTWDEDNSIAW-QFIPXVFZSA-N 613.279 6.150 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1084490236 IRKOKZKLZKMXRE-UHFFFAOYSA-N 587.614 6.217 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084613455 CBQMNUMVRHLBDI-UHFFFAOYSA-N 577.515 8.526 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084634654 WSAKCGFFHSUZCK-UHFFFAOYSA-N 609.480 7.466 50 10 KKGE CCOc1ccccc1OCC(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1772753796 JGZQFCCVPXCHEL-UHFFFAOYSA-N 503.382 5.509 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N=[N+]=[N-] 1776009978 KQJXHZRKNUECLZ-KYRKWMFSSA-N 601.902 6.130 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OCC 1865687372 PWOPKDIYOLKDBA-GDLZYMKVSA-N 522.649 6.774 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCCc1ccccc1 1865688611 WNGXKWLWDROLJG-VWLOTQADSA-N 564.539 5.938 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865690756 AGSCERAWFHOZOP-PMERELPUSA-N 548.687 7.093 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865691656 XUWCHCUDNOLABQ-GDLZYMKVSA-N 552.650 6.923 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695119 KIZCJYSTVXVDKL-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696265 LJFLPMFLVLTZCW-HSZRJFAPSA-N 547.384 5.432 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865696358 ZTAOLPKBSALIDB-PMERELPUSA-N 575.068 7.307 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865696970 MFIPQBFDUSLLDZ-FQEVSTJZSA-N 529.822 5.476 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704039 LFPBCZCAJLLSHC-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704140 OJPLJIDDUPGFJX-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704718 CJVDDHLCVTWXGU-AREMUKBSSA-N 508.553 5.460 50 10 KKGE C[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866944919 VZQIJRQHGKPFSR-HOYKHHGWSA-N 554.535 6.183 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207133 HHFZQJORAFDMOP-UMSFTDKQSA-N 555.707 7.545 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868301083 KEDAXWLDAJNWEJ-XIFFEERXSA-N 553.735 8.656 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)[C@@H]2CC(C)C 1868432931 BLFMLSWWXGDZHI-MUUNZHRXSA-N 540.136 8.572 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433346 JAFPNJLQARCMIX-UHFFFAOYSA-N 557.079 7.481 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)n2)c1 1868506555 YXVMUZBWQGNWHI-SANMLTNESA-N 534.645 5.415 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OC(=O)OCC)cc3)n2)cc1 1872753303 QJMRAKUQCGIKMD-LCUIJRPUSA-N 506.624 7.644 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 1872794750 UTHQJYZRONBKGW-CXUHLZMHSA-N 503.863 8.475 50 10 KKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915116143 ZKKCZCINKCKYBX-HNNXBMFYSA-N 506.609 5.714 50 10 KKGE FC(F)(F)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073992 FJINQDQKAWECKP-QMMMGPOBSA-N 513.398 7.430 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Br 1995046481 FGIMIAGVBWVYPF-JISPFJSISA-N 541.701 5.520 50 10 KKGE CC(C)(C)C(=O)[C@H](Br)Cc1cc(Br)c(Br)c(Br)c1 2034338698 IUGNKHRMMFZMBM-SNVBAGLBSA-N 505.870 5.895 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(CBr)c1Cl)Cc1ccccc1 2059315004 SVARSIITNTZVRC-UHFFFAOYSA-N 556.353 6.211 50 10 KKGE CC1(CC[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085492517 MSEDEZNHCKOIHN-VIFPVBQESA-N 524.316 7.597 50 10 KKGE CO[C@H]1C[C@@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471625 UKRDTXGGQPWSFM-GJMOJQLCSA-N 584.766 6.988 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(Br)ccc2I)cc1Br 2198736490 FKRAQEPZRLEWDZ-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE Clc1ccc(Br)c(CO[C@H](CI)c2ccccc2Br)c1 2200754900 VQVLQOSCMWVGPS-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)cc2Cl)c1Br 2201068430 FYCQLJXGZWWFGY-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(F)cccc2Br)c1Br 2201072539 VNDNKXZBXRGVOC-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(C2CCC2)C1 2206395121 LUPXFWDOKNGJTC-WDQARJOWSA-N 550.354 7.843 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206396845 BMBUWPZGZPNTRK-JTQLQIEISA-N 706.605 7.965 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206401510 XTAABIFZAANDJC-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccccc1I 2221697619 NUVABBVUZRZAJZ-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(C)s2)cc1I 2257368866 KESUIGFWGCIMFR-ZDUSSCGKSA-N 502.009 5.917 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288364036 RDYWNFYNIIAVHW-SECBINFHSA-N 537.822 5.779 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(I)cc1 2313568002 NGKLFTAFXWAPQF-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1 2313568873 ZVVHGAHLJSURKE-UHFFFAOYSA-N 550.884 6.246 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 2314476623 RWQNXNLHFWKLBX-UHFFFAOYSA-N 537.645 5.178 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591680 BAZFUYDILTWCCY-NDEPHWFRSA-N 525.674 6.582 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314618684 RUCKOZLIZDFDLE-JOCHJYFZSA-N 524.580 6.639 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314620131 KFCMHTIRFLWHJE-UHFFFAOYSA-N 536.994 6.433 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643319 QDBMOEQIBVGREI-UUWRZZSWSA-N 592.623 6.649 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1Br 2314720220 HATTZWUDGIEKNU-UHFFFAOYSA-N 543.211 6.269 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1OC 2331417932 BLAGEDHXCKZKEL-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1O 2331464376 HXUCCYBVHNDQOL-UHFFFAOYSA-N 505.393 7.143 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Br 2336082060 XCUBTDGLFCAJNC-HXUWFJFHSA-N 563.486 8.067 50 10 KKGE Cc1cccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360425515 CNSATXWNKOAIHD-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(I)ccc1Br 2360432507 CSTATUGKRMDWGN-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE Clc1cc(Br)c(CC(CBr)(CBr)c2ccccc2Cl)s1 2372289980 WBJRPJLABHHUDW-UHFFFAOYSA-N 521.927 7.088 50 10 KKGE Cc1cc(Br)cc(CCl)c1OCc1ccc(I)c(Br)c1 2377293337 YBPBSAWAHFMNGV-UHFFFAOYSA-N 530.425 6.442 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H](C(F)(F)F)C2)c1Br 2380889768 NSOWDWCALOCZHQ-IKMPGZOFSA-N 503.353 7.029 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\C3=Cc4ccccc4O[C@H]3C)nc2-c2ccc(C)cc2)cc1 33482898 IXXPQQIIZZAHSF-UGHLTKRUSA-N 503.627 7.451 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 38650805 KDXKQCHTUYTFJK-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38656063 IZAUPUSBOBESFH-AKJBCIBTSA-N 523.416 6.708 50 10 KKGE CCN(c1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-])c1cccc2ccccc12 40589284 HDMVGSZYSXJMDM-UHFFFAOYSA-N 507.894 5.015 50 10 KKGE CCOc1ccc(OCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 40911627 QPNQUGASAZAVGH-CCVNUDIWSA-N 503.382 5.509 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100194023 RCWUJNMNKGMSNI-UHFFFAOYSA-N 609.340 5.114 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccc3ccccc23)c(Br)c1 100200571 IOCQPOSYCKAIEH-KAMYIIQDSA-N 540.483 5.014 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212160 SZHPSPHPHFNKIP-UHFFFAOYSA-N 582.676 5.327 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 100212176 QFPMMULHIHVWHH-UHFFFAOYSA-N 604.339 5.971 50 10 KKGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(-c2ccccc2)cc1 100212746 DYJAKTGTESVAGV-UHFFFAOYSA-N 574.500 5.687 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 100452383 UKYFUGUOPUTELT-ZZXJHYAVSA-N 596.319 6.908 50 10 KKGE Nc1ccccc1N/C=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472579 NFLCYBMFEKKBIZ-MKCFTUBBSA-O 514.589 5.904 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240885 JTASCELMQDZYKB-UZEPBSNMSA-N 535.591 6.010 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242219 MZLQIJRVAVUZSK-DXTZOESMSA-N 540.472 6.452 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242340 WBXJHZKWUOOJPN-CKVBZJJFSA-N 527.524 5.050 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242479 JAKOOIJZHZZKCZ-UZEPBSNMSA-N 501.608 5.038 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccc(OCC)cc3)C2=O)cc1 101245176 IMHQRLGIDPMYEA-BCBJCJEVSA-N 539.701 6.801 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101333349 HVNLDWRNIOJDNY-AJBULDERSA-N 574.656 7.040 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 101336626 JZFCOULUNBEELA-WPWMEQJKSA-N 532.600 6.022 50 10 KKGE C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)c(Cl)c1 101357573 UWEBXEKYTSFVIF-FOKLQQMPSA-N 517.916 6.423 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362615 RESMCUUHOHQDMX-ICACTRECSA-N 546.623 6.419 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccccc1Cl 101362895 RYKJUOBOGUKFLB-KRWDZBQOSA-N 522.813 5.238 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1 101367261 BWGPNYFABGEZSD-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 101368667 CCTXHEVJVMRXIN-XMMPIXPASA-N 571.413 5.855 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 101369015 MUUOTDWJWIOMFI-HHHXNRCGSA-N 563.448 5.958 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101398820 FNJXQYKKOZVPHK-NDEPHWFRSA-N 591.422 7.157 50 10 KKGE O=C(COc1ccc(Br)cc1)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 101631409 GKVUVBUFIMGAII-SLMZUGIISA-N 577.660 5.311 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2cccc3cccnc23)c1 102347334 FIUKGEUYZAGTHW-BKUYFWCQSA-N 541.629 6.340 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 102454006 DGVHIHCBBBBCTK-VKAVYKQESA-N 509.638 5.443 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)c1 104803644 ZIRIRZNSOYQNFG-UHFFFAOYSA-N 597.535 5.156 50 10 KKGE BrCC(CBr)(Cc1ccc(I)cc1)c1cccc(Br)c1 118878655 WUFLZQPSWGKGSJ-UHFFFAOYSA-N 572.904 6.324 50 10 KKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(C(C)(C)C)cc3)nc12 142437641 VZJOEBFWSWCQPM-XDJHFCHBSA-N 546.549 6.657 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 150409863 TYIPAZXQNFHYHV-UHFFFAOYSA-N 673.383 5.537 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)oc12 150411570 KGMDNFHSJBQIMU-OZVJIIIZSA-N 630.682 5.211 50 10 KKGE O=C(CSc1nc2ccccc2o1)Nc1ccc(SSc2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)cc1 150426837 OQHDEJJZXYNSJT-UHFFFAOYSA-N 630.798 8.230 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432874 CAVWMLHVPPXTTA-PSTIOWGYSA-N 649.502 7.701 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1Cl 150460172 GUKNISQWNQBQMW-JGCGQSQUSA-N 679.984 8.851 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479726 NCAFMCWBESTNRS-PGUFJCEWSA-N 633.531 8.528 50 10 KKGE COc1ccc([C@@H]2C[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)[C@H](c3ccc(OC)cc3)[C@@]2(C#N)C2=C[C@@H](Cl)[C@@H](Cl)C=C2)cc1 150493455 XKRMSAFBQDWAPH-MNBNISENSA-N 664.629 8.583 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1F 164017264 DGULHDMXFZJGLI-FABQOPTDSA-N 621.675 7.664 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(OC)cc3)ccc21 205661702 FSCFLNJDHVUBGE-MJXOAUSHSA-N 510.590 6.101 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 209398330 GUGRARDDCCCKRP-MUBYSKIDSA-N 519.579 6.072 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214307553 UXZHVIUGYIAYDV-ZLBVPIIXSA-N 641.794 5.367 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214338577 XXVSWRQVXDWWOQ-AJJAXASUSA-N 590.683 7.472 50 10 KKGE O=C(CSc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)NN=Cc1cccc2ccccc12 254484886 RCTDKHBLPSHOMP-UHFFFAOYSA-N 618.504 5.880 50 10 KKGE COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1OC 254742377 WSOZUVCFHTVSTO-YTCSWGEOSA-N 554.559 5.102 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)n2-c2ccccc2)cc1 254818129 HWBLGPRZXUGPQN-HHUIMLSUSA-N 504.015 5.417 50 10 KKGE Cc1sc(C)c([C@@H](Br)c2cc(I)ccc2Br)c1C 722486132 FRDQTMOEZVQUQX-AWEZNQCLSA-N 500.037 6.525 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1 725412436 KAPQVNYZVULXDJ-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1ccc(Br)cc1 1081475969 YSLPADLKJSFORT-DAXSKMNVSA-N 507.549 5.420 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084009780 QLAVLEBDEQQMPT-UHFFFAOYSA-N 602.235 6.008 50 10 KKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084064017 WBQWTEOMVOXKMH-UHFFFAOYSA-N 629.522 5.383 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 1084089782 PQZJYKALDRHSJI-PDGQHHTCSA-N 521.913 5.420 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1 1084105921 MKRXFHWFUSWFSL-UHFFFAOYSA-N 701.096 6.747 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084187581 OZXSMJTUJMLHOF-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084235647 USVXIQGKEHBJRQ-UHFFFAOYSA-N 565.095 5.492 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084296821 YCJCNGIMEZYJDJ-UHFFFAOYSA-N 583.483 5.341 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 1084459896 FRCJZXYSZOXWHP-SANMLTNESA-N 525.045 5.989 50 10 KKGE CC(C)(C)c1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084556022 HZBOJZHKXAMSRD-UHFFFAOYSA-N 556.526 5.130 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1 1084557306 AGGMVSWUGCSYLS-LPYMAVHISA-N 500.986 5.281 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 1084584030 OZADTRJAYMMVOF-MHWRWJLKSA-N 547.192 6.789 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)C2CCC2)n[nH]1 1084635045 GMAXTZXWJJXVDY-UHFFFAOYSA-N 632.839 5.256 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1c(Cl)ccc(Cl)c1Cl 1772760441 NAXFCZUSVVLOBL-UHFFFAOYSA-N 536.893 7.078 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687593 VQAIGFQPZVYWRG-NDEPHWFRSA-N 524.596 5.829 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690192 LAYHSDLVGIZHOK-MUUNZHRXSA-N 527.584 5.740 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1 1865694716 ZWAHHKDFWFRDOD-AREMUKBSSA-N 527.024 6.267 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704191 PSGIIGSNSCYAIG-XIFFEERXSA-N 560.657 7.798 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OCc2cccc(C)c2)cc1 1865704969 JDSZBVXJLSFLNU-SSEXGKCCSA-N 570.649 6.662 50 10 KKGE CC[C@@H](CC(=O)N[C@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867137136 IJCFAAVBZUBHNZ-UPCLLVRISA-N 518.477 5.838 50 10 KKGE COc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1Br 1922885730 VVFGHQDXZPBONJ-NSHDSACASA-N 533.905 6.837 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)c(F)c2)c1Br 1922897329 MQJBAQSRWWGKFP-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)cccc2Br)c1Br 1922932260 KDEJIZINWITVRM-JTQLQIEISA-N 582.775 7.591 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 1923054172 BDIYGZAGUCGLJC-MRVPVSSYSA-N 558.742 7.780 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c1Br 1924569183 RDAOJYHCETVRFP-YMUYGMJNSA-N 519.922 6.764 50 10 KKGE CS(=O)(=O)c1sccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924570232 GUJAYFPVLDKURP-ZETCQYMHSA-N 529.522 5.829 50 10 KKGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(C)c1C 2079243223 PSRDJGLVIOBMFD-UHFFFAOYSA-N 503.100 5.075 50 10 KKGE COC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500654 PIIYULNOYYDGMQ-ZTNVNUCQSA-N 570.739 6.455 50 10 KKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1cc(I)ccc1Br 2094674055 QUEWWIRFXDZZOW-CYBMUJFWSA-N 532.466 7.083 50 10 KKGE FC1(F)C2(CC2)C12CC([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2183920455 PPSJAFBBKGQPMA-OEAVERAQSA-N 511.451 7.141 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396519 XVSLFBLEYSRVKU-GMKXCVPSSA-N 550.354 7.699 50 10 KKGE CC(C)(C)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206398446 VFKICMVURXAXBJ-ZDUSSCGKSA-N 552.370 8.233 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csnc1Br 2213490693 VKIMVAQDZKGXSV-SECBINFHSA-N 508.830 6.054 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2sc(Br)c(C)c2C)c1 2224053054 GNVJRSRKRZTDGS-LBPRGKRZSA-N 500.037 6.525 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1Cl 2232514409 UYHFNENRVHYZGD-CQSZACIVSA-N 593.322 7.571 50 10 KKGE CCCCCCc1ccc([C@@H](Br)c2scc(Br)c2Br)s1 2234131030 RFJLMLLKTMINOG-CQSZACIVSA-N 501.147 7.942 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)c(Br)c2)c(C)c1Br 2235610715 SKTUESKLIRJVRZ-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Cl 2283567484 CDPHYUZJPKPUNP-AWEZNQCLSA-N 548.871 7.462 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 2293198387 DULDPRWAVJCCCT-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE Cc1ccc(C2=NC(C(C#N)=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)=S=C2NC(=O)c2ccco2)cc1 2296731384 SPSKRZDPNNONPS-UHFFFAOYSA-N 522.542 5.589 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 2297458670 RJJSDZXBCKTZFF-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE C[C@H]1CC(=Cc2ccccc2Br)C2=C(C1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504926 WSRKTDJYRJVWBN-RCDICMHDSA-N 512.245 6.787 50 10 KKGE O=C(Nc1ccccc1)C(NC(=O)c1ccccc1)=C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297515842 YGJQKOXNGFPYPF-UHFFFAOYSA-O 603.682 7.418 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567515 KULYGGJQCCHWRP-UHFFFAOYSA-N 675.308 5.731 50 10 KKGE Cc1cccc(NC(=O)Cn2cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)c1 2313571494 XPZCUBCNIZEFHX-UHFFFAOYSA-N 503.389 6.441 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 2313667896 XIJBFUHOXIDANG-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313670695 PUHYOLUPDSKKOR-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591694 BJWFPLBITSDJMU-AREMUKBSSA-N 516.066 6.837 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592423 SYSWMADOUUUSKF-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593976 WWGDWHMRAVLOCD-DEOSSOPVSA-N 538.456 5.745 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643348 UXCAZNZWUZYLGR-JGCGQSQUSA-N 633.915 8.071 50 10 KKGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 2314772538 FUQOTOBBOJFNGN-UHFFFAOYSA-N 579.875 5.162 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1 2314793445 SIRVWCZEVYFBDN-UHFFFAOYSA-N 509.027 6.888 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(Cl)cc1 2331044415 FESMTTGFBNCVLI-UHFFFAOYSA-N 517.969 6.048 50 10 KKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232084 QSANKVPJAGYGBV-UHFFFAOYSA-N 516.466 8.465 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1OC 2331232483 BZEAFOYLJYKIKX-UHFFFAOYSA-N 514.357 6.004 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318479 QHDHYDHFSFTREL-DEOSSOPVSA-N 501.608 6.102 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCc1ccccc1 2331461072 GYXVIWYNBYRSFI-UHFFFAOYSA-N 524.686 8.158 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2333303639 NIWXDYXGLFDDTN-RFSKQPJPSA-N 536.327 7.453 50 10 KKGE C[C@](CBr)(Cc1ccc(I)c(Br)c1)C1CCCCC1 2349841558 SWRXUGDWYUNCSB-MRXNPFEDSA-N 500.056 6.578 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360427389 UWSYHAHOFPLPBE-NSHDSACASA-N 509.797 7.281 50 10 KKGE Fc1ccc([C@@H](CBr)OCc2cc(I)ccc2Br)cc1 2367600461 HBZDQOWBYVECJD-OAHLLOKOSA-N 513.970 5.846 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@H](CBr)c1ccccc1 2377312738 AWTXOCRZJKHCIL-MRXNPFEDSA-N 509.023 5.622 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1Cl 38651382 ZMGSVBINXAWQNX-QFIPXVFZSA-N 515.780 6.483 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38660059 WUPOJROJFDWCBU-LJAQVGFWSA-N 526.633 6.609 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38660252 QZXPPYFKJMBTML-MHZLTWQESA-N 502.542 5.841 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1Cl 38687626 CVGNZYFOMNRRBV-NRFANRHFSA-N 501.753 6.093 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c(OC)c1 38688459 QRFIDBYKYQTMKD-RUZDIDTESA-N 500.482 5.335 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\Nc2c(Br)cc([N+](=O)[O-])cc2Br)C1=O 101235227 GMJZOELWUBYSLR-RVDMUPIBSA-N 540.212 5.205 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245444 UNRYRXLEJRSJGQ-UZEPBSNMSA-N 535.591 6.641 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101333551 SHQWNFZLXIPEOV-TURZUDJPSA-N 536.676 6.808 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 101334206 YMDVYOGMRVVMFO-SWJINONDSA-N 536.676 6.889 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101338971 IURAOQROIRWZFP-PCLIKHOPSA-N 502.574 6.210 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 101362562 CYQCZOUWJOLQCY-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc(OC)c1OC 101368728 TZJJOXJSUYDXMJ-WRHNGFHOSA-N 544.604 5.427 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5Cl)ccc43)c2)cc1 101382041 AZFKXLSOKKWITL-SHAUVZGRSA-N 583.471 7.718 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101385222 HSFBAKDBYBEBIV-XIFFEERXSA-N 562.622 6.094 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387342 ANAZNQPYUFBQIV-XSJBNIOMSA-N 608.666 7.128 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388357 CNNNQGKCBGJHFC-XIFFEERXSA-N 597.067 6.693 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccccc1Br 101394019 FBTSSPXRHARRAQ-FQEVSTJZSA-N 606.712 8.061 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396129 AUYBTIYXPRFKSN-AREMUKBSSA-N 559.416 6.730 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2c1 101398922 UNEYNACVJKZSRY-YTTGMZPUSA-N 625.508 8.627 50 10 KKGE C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 103627741 YBGHVDHYXSNSOF-HEOQCTJZSA-N 532.232 5.708 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1 103789662 AAOXVDOSRHFBRV-XQNSMLJCSA-N 580.910 6.336 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806321 IRKOKZKLZKMXRE-FJEPWZHXSA-N 587.614 6.217 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(I)cc1 103887782 ONPMALZPIMKMPX-ODLFYWEKSA-N 558.803 6.386 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(C(C)C)cc1Br 105360311 KRFOACBGBYSDTI-UHFFFAOYSA-N 564.274 5.402 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411428 BFABMOATQOOCLV-UEHDKTOISA-N 716.819 7.188 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411504 NYIZNYDSTISMGT-OKXFMPMSSA-N 666.759 6.035 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150462464 TVTCDWGEZXPYGW-SSEXGKCCSA-N 627.093 8.027 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](CNCCCCc2ccc(OCc3ccccc3)cc2)O[Si](C)(C)C)cc1O[Si](C)(C)C 195990830 YIIGYZDGVXMOSM-UMSFTDKQSA-N 624.059 9.198 50 10 KKGE in-vitro C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205775531 XGAXAASEZKKGJE-UPJRRAFRSA-N 630.726 5.329 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214339565 ZULXRSBZAOUCNZ-AJJAXASUSA-N 590.683 7.472 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 234796123 XFVRKRIOSSZHSY-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE O=C(COc1cccc(Br)c1)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 245264961 FDRVSGNTBRLRIS-KYHCVAFGSA-N 530.850 5.047 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@@H]2CO[C@H](Cc3ccccc3)O[C@]21C 248155793 INXHCOIWXVXIHV-FLGHIYLRSA-N 542.792 7.358 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 251456504 YAHXNVGUCZQYAB-IIHRWXSQSA-N 535.651 9.113 50 10 KKGE biogenic COc1cc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 252624568 PQWOITUVRYSKMY-AREMUKBSSA-N 569.455 6.133 50 10 KKGE CC(=O)Nc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(NC(C)=O)cc4)cc3)cc2)cc1 253636748 POTDSBFJYXGIQR-UHFFFAOYSA-N 538.698 7.904 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc(C)c4)cc3)cc2)cc1 254626439 JCTULSKMYZKIOR-UHFFFAOYSA-N 527.602 5.087 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)n2-c2ccccc2)cc1 254740885 LQXNGRBMAIVQEG-UHFFFAOYSA-N 521.650 5.288 50 10 KKGE CC1(C)[C@]2(C(=O)NNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256019818 GQEINFYWMYDUMD-JBXNLBQYSA-N 805.864 6.505 50 10 KKGE CCC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 256068647 KVVLTROOHMLHLQ-GWPFRJQTSA-N 649.074 9.369 50 10 KKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 384968964 KOPAWWATVGIPCM-GMXVVIOVSA-N 555.419 5.880 50 10 KKGE C[C@H](Cc1oc2c(c3c(c4ccccc42)O[C@@H]2CC(=O)O[C@@H]32)c(=O)c1[Si](C)(C)C)O[Si](C)(C)C(C)(C)C 504659608 SXDPQWBXXUTVBE-OVBXVEMXSA-N 538.789 6.193 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 575625234 CBYATNWDDXHUQS-LVZDTMGSSA-N 781.541 9.191 50 10 KKGE Cc1ccc2c(c1)nc(CCl)n2-c1cc(I)cc(I)c1 690394235 ZDVJIDQLNSNWPW-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(I)c(F)cc21 702787528 IXKSPUNARQASFB-FQEVSTJZSA-N 502.755 5.141 50 10 KKGE CCCCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721574189 VZDHJBLVDYWNLM-QGZVFWFLSA-N 508.035 6.881 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725393206 RDDWYFFNHNFAIO-ZXJKJLPQSA-N 735.737 9.678 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)c2cc(Cl)cc(Cl)c2)cc1 725399839 WEHJVCXRZVBSNP-UHFFFAOYSA-N 545.275 5.954 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 725409334 FAXAEFXYYLJZCU-XMMPIXPASA-N 511.416 5.391 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1Br 1084041458 YZFGCMUCYOHSNR-UHFFFAOYSA-N 679.593 5.438 50 10 KKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Br)cc1 1084303294 BXNMWYLXJLWVET-UHFFFAOYSA-N 565.265 7.033 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084411577 WBCQZUMXWPFQSX-UHFFFAOYSA-N 558.704 5.374 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084574483 LQFGLKWNTRTHRB-JOCHJYFZSA-N 531.834 5.654 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1cccc([N+](=O)[O-])c1 1565517294 ITBFJACFDTXOCA-JGCGQSQUSA-N 645.676 6.322 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2)c1cccc(C)c1 1772746943 JEIDNKPPHRFFNG-UHFFFAOYSA-N 505.618 6.701 50 10 KKGE C[C@H]1O[C@H](O)C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1848441433 XQVRFFNBGUPUED-FHPDIGCUSA-N 624.970 6.004 50 10 KKGE CC(C)(C)[Si](C)(C)OCCC[C@H](Cl)[C@H](O)CC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1857788729 PVKFFJMRWIRWJG-XZWHSSHBSA-N 591.381 7.073 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687340 PAIMZYYXUPJURZ-RUZDIDTESA-N 510.997 5.828 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(Br)c1O 1865687960 FBYHZWTVAXFNGC-KRWDZBQOSA-N 553.310 5.174 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865690816 BUCOQIMLDFFBAJ-HSZRJFAPSA-N 526.559 6.385 50 10 KKGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700712 BQRNYRTXURVMRT-AREMUKBSSA-N 517.416 6.344 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704328 SNVIYILXEYRXFV-MUUNZHRXSA-N 566.583 7.209 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704500 XIHKQHDPQQMJST-RUZDIDTESA-N 517.416 6.539 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704935 ILCADELZZAWKKP-NDEPHWFRSA-N 534.616 5.638 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865707293 SQSXVFADMKLRCD-WJOKGBTCSA-N 555.657 6.982 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709635 DOZQMJCTPWYOPP-NRFANRHFSA-N 504.333 5.972 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711627 CYAYTWMSNLYXJE-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231977 YYHNJAVGHKEIGN-PMERELPUSA-N 555.679 7.225 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4ccccc4s3)nc(-c3ccccc3Cl)n2)cc1 1868414177 JXZFJFWKDDUHBC-HSZRJFAPSA-N 541.105 8.065 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1C 1872781005 RHJZBUJUTQWLMS-MKMNVTDBSA-N 506.219 6.422 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872782493 IIGWZDFPDZBSFR-WGOQTCKBSA-N 525.674 7.063 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872790351 CFZDWJVVRIFVRV-HZHRSRAPSA-N 503.668 6.527 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2scc(Br)c2Br)c1Br 1922882910 IGRVCUORCJKNHL-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(I)ccc1Br 1926736341 NTHQHPBWCCQESB-LBPRGKRZSA-N 515.027 5.127 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2001645553 CTQZFDPFRZLLGY-VDTYLAMSSA-N 509.883 6.041 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 2042446203 YXSRGKAZDPKNFM-UHFFFAOYSA-N 510.402 6.693 50 10 KKGE Cc1c([C@H](Br)c2c(Br)sc(Br)c2Br)nn(C)c1Br 2049255537 KDSZMFFYIJYEAF-RXMQYKEDSA-N 586.767 6.324 50 10 KKGE O=C(C=Cc1ccc(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)CC(=O)C=Cc1ccc(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 2069495500 LGGXAPVDKVCWRW-UHFFFAOYSA-N 915.063 11.468 50 10 KKGE Cc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 2072299766 BHOVULDZBSDKDW-ZETCQYMHSA-N 542.316 6.168 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Br)s1 2083331984 FHWKPNJOSGYMHE-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085494116 KEUIFEUSKHCCDE-NWDGAFQWSA-N 570.739 6.599 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2201874723 HWAULSCMFZEXSM-PNLAZUSQSA-N 527.525 5.577 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]3CC2)c1Br 2206399081 BZZOLBRBDSVUHZ-ZZIUEJKTSA-N 594.805 7.999 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)cc2I)c1Br 2207263418 XHSDNUPWHGYCRD-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)sc1Br 2210635444 JQRTZHRZTUICTM-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)c(C)c1Br 2235614896 MPFAOLWJJXJYKD-AWEZNQCLSA-N 545.960 7.754 50 10 KKGE CCc1cc([C@H](Br)c2cccc(C)c2I)sc1Br 2255988662 MQBUXRNTAJTNBB-GFCCVEGCSA-N 500.037 6.470 50 10 KKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277966052 PNWKOMWLPKHYTB-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2COC3(CCC3)C2)c1Br 2284738944 RDPOTZRYMYKLFR-RDDDGLTNSA-N 596.777 7.132 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198166 BOJJXJKDJRPQMI-DEOSSOPVSA-N 566.908 5.888 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1cc(Br)c(Br)s1 2295282574 CFQYCCBMFWTGCC-LLVKDONJSA-N 523.899 7.334 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 2295459731 SJPHIPRGUZIFKO-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296507223 YWHIKYMVAUFSQK-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2296548852 MZSRPYYMBFTIRC-UHFFFAOYSA-N 503.631 7.144 50 10 KKGE C=C(C)Cn1c(SCC(=O)NN=CC(C)=Cc2ccccc2)nnc1-c1ccc(Br)cc1 2297298372 ILIBZMIVGKODKX-UHFFFAOYSA-N 510.461 5.581 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(C)=O)c1C 2297467319 MXUOREZCWVLVLV-UHFFFAOYSA-N 505.577 5.642 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Br)cc1 2313518216 UJQWEHXULPGLAM-UHFFFAOYSA-N 570.281 6.962 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2314532834 MXMQNRDPWBKIOJ-UHFFFAOYSA-N 519.388 6.210 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592891 DEWFBDJFUPVXER-FNZWTVRRSA-N 516.066 6.261 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594141 ZPTDDYUBAYFCCL-BCHFMIIMSA-N 516.066 6.206 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1Br 2319489594 MULRDDVWGDAUMK-XHNCKOQMSA-N 521.938 7.298 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 2331240294 TWWSATDGJGDIAW-DEOSSOPVSA-N 515.660 5.899 50 10 KKGE Cc1ccc(Oc2cc(Br)cc(I)c2)c(CBr)c1Cl 2338757173 HEYLVUMPPUKDAV-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE CC(C)(CBr)[C@@H]1CCCN1Cc1ccc(I)c(Br)c1 2349843418 VHLJZHILSFUNIT-AWEZNQCLSA-N 501.044 5.439 50 10 KKGE Brc1cc(CO[C@H]2C[C@H](Br)C23CCCC3)ccc1I 2350062277 VJYMLZPEDWYRED-KBPBESRZSA-N 500.012 5.667 50 10 KKGE Cc1cccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Br 2365186692 SSQJYUMYQZPEOC-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)ccc1I 2365218069 JNFIASUPIGQJLV-GFCCVEGCSA-N 641.736 7.511 50 10 KKGE Cc1ccccc1[C@H](CI)OCc1cc(I)ccc1Br 2367602885 WDVALOVVZRZUNG-INIZCTEOSA-N 557.007 6.055 50 10 KKGE Cc1ccccc1[C@@H](CI)OCc1ccc(I)c(Br)c1 2377611170 HVEWJIGTXOYFIK-MRXNPFEDSA-N 557.007 6.055 50 10 KKGE N#C/C(=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3232228 BKGZEAQTTBCIJG-UYRXBGFRSA-N 520.894 7.277 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 7018842 CCOWGSVXXGLQRJ-QPQMVVSWSA-N 508.430 5.736 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684653 UYHORFTUAOVZLK-AREMUKBSSA-N 523.416 6.856 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc2ccccc12 38688533 VKVHKOSMGXKIHD-RUZDIDTESA-N 508.986 7.145 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812935 GZOACEZBBZXXIQ-XHLNEMQHSA-N 517.379 6.193 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2)c1cccc(C)c1 40813478 QYKSOUVLCYHGFJ-VFCFBJKWSA-N 508.962 5.595 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 40924591 SVWDGBLKLBTNSS-LQKURTRISA-N 503.649 6.030 50 10 KKGE O=C(COc1ccccc1Cl)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59678811 QHDVHINVHUXRGM-AUEPDCJTSA-N 500.201 6.029 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100123143 MCJDGWNPSJUCGI-GFCCVEGCSA-N 556.638 5.012 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1CSc1nc2ccccc2o1 100185618 LGEDYURQRVDBID-HQDYHJHZSA-N 560.635 7.215 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 100234113 QHCVSRWXSSQDFH-GHJZYOHGSA-N 594.539 7.343 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246748 YQOSOIYGBXLICS-GJRHSESZSA-N 527.646 5.776 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379151 ZXECELGXOBQANI-HKBQPEDESA-N 569.013 6.130 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)cc5)ccc43)c2)cc1 101381979 GHZFKDLKIIFXCP-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382816 LRWDETIMARFTFP-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101388370 KLZGVRFRBWVLPL-YTTGMZPUSA-N 617.485 7.174 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101389911 BDJQTGDDCYGAKF-OAQYLSRUSA-N 541.843 7.607 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390489 QXHAZGJSPOYYFH-NRFANRHFSA-N 523.397 6.654 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)oc2cc(Br)ccc12 101392124 BZVNNPKJRUDQFL-QHCPKHFHSA-N 570.226 7.248 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1 101392989 CTNMYXXQJPUQGQ-YTTGMZPUSA-N 572.617 7.075 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)sc2c1 101394296 UQSJIDCLQZTWNK-OAQYLSRUSA-N 541.843 7.607 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101394756 LHKZKZVKIFIUQM-MHZLTWQESA-N 623.558 8.613 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1Cl 101397109 YZQXQDORQLMOEN-AREMUKBSSA-N 553.442 7.008 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101489884 MVQSRENURXOADA-UHFFFAOYSA-N 519.359 5.166 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618856 AWODJZGAJYSMSI-JJNGWGCYSA-N 529.600 6.090 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccccc5Br)c(C)c43)coc2c1C 101619769 WLHOUEORCASRPY-DFKUXCBWSA-N 548.437 6.365 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1OC 101620128 WLKBCUVHLOAOIU-PPFNPFNJSA-N 557.647 5.340 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 102665784 JFBCYRLSCMHAGK-RYEBZEHMSA-N 528.848 6.712 50 10 KKGE COc1ccccc1/C=C/C=C(/C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 102862959 LDARYSPNXFLXIO-VPNFUMBJSA-N 542.458 7.454 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 103887328 WZFNNUPZNPNVCG-ZDLGFXPLSA-N 571.225 6.553 50 10 KKGE CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)ccc1OCc1ccc(Cl)cc1Cl 105622448 NKTOSBGGFQSMKL-XODNFHPESA-N 564.495 5.500 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 150382827 SUFZMKGKUWWPMF-PEHSQKLVSA-N 633.324 6.325 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(Br)sc2Br)c1 161092039 JUIBUYINKWXJHX-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1csc2c(Br)cccc12 163377114 ZGFZIMJXAVLDJE-NSHDSACASA-N 501.490 7.579 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(I)cc1 163805735 BOIKGDMWIPGGSI-VFLNYLIXSA-N 653.698 7.195 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 164721100 FAYDQWHARWRSJM-XKZIYDEJSA-N 623.288 7.640 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214277085 NICWKMWYPRXUHU-QQXSKIMKSA-N 528.568 5.103 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214307718 UGDPUCOOKZDLQJ-NMRQPTJQSA-N 550.659 5.579 50 10 KKGE O=C(C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)[C@@H]1C=CC=CC1 229812771 RHAACQCPGMLCSD-AXFXLNJJSA-N 814.990 12.050 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cc(Br)sc1Br 235029809 YNGPBAUYXPPPIE-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE Cc1cc(C)c(C)c([C@@H](Br)c2cc(I)ccc2Br)c1C 235818799 CGPUSHSOSFBARI-KRWDZBQOSA-N 508.035 6.772 50 10 KKGE CC[C@]1(C)[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 251276952 PRFLYHAVMABXJO-NQBHXWOUSA-N 505.870 6.305 50 10 KKGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 254414338 HYSBCHMYDODNHV-UHFFFAOYSA-N 590.727 5.367 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 254482421 NTOGGRNRMGEQHX-UHFFFAOYSA-N 513.667 6.163 50 10 KKGE CC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 254525032 AAPXZCDELMFYMB-UHFFFAOYSA-N 633.979 7.336 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3c(s2)CCCC3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 254816403 NRBNHTORNPCCBO-UHFFFAOYSA-N 545.583 5.826 50 10 KKGE COc1ccc(C=NNC(=O)CCCc2c[nH]c3ccccc23)cc1CN1CCN(c2ccc(F)cc2)CC1 254835637 HZUQJLOWUZBJGY-UHFFFAOYSA-N 527.644 5.111 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 380109602 OSMCVZMBQUEUAV-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2I)[C@@H](CCl)C1 382713899 IUXGIJRFWIRJFW-YOEHRIQHSA-N 534.619 5.645 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCC(=O)OCc1ccccc1)[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504264653 XRPFCOIIXPPJCL-CUVPNIRJSA-N 745.166 10.578 50 10 KKGE in-vitro CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccc(OC(=O)C(C)(C)C)cc2)c2ccccc2)cc1 605697814 FVPGMEKMGGWRFW-ZIADKAODSA-N 506.086 7.167 50 10 KKGE Cc1ccc(CCl)c(Oc2c(I)cc(Cl)cc2I)c1 686494667 ILAAKCMYFIVLEX-UHFFFAOYSA-N 518.947 6.389 50 10 KKGE CCCOc1ccc([C@@H](Cl)c2scc(Br)c2Br)cc1Br 707833434 DJCGFHYOMXQEOY-CYBMUJFWSA-N 503.481 7.153 50 10 KKGE Cc1cccc(COc2c(I)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2I)c1 725445071 VRALNPGLIAFBRE-HSZRJFAPSA-N 654.286 5.747 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1C 1084067013 GLOLRIMEMYVFGA-CFRMEGHHSA-N 521.617 7.485 50 10 KKGE O=C(NN=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)c1ccccc1Br 1084270935 FIVQFHVBVFCOJY-UHFFFAOYSA-N 528.233 7.252 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 1084412432 GKWYAWANXHAHPD-XMMPIXPASA-N 546.407 5.843 50 10 KKGE CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1084465027 RCCZEOSXHQDQGP-UHFFFAOYSA-N 500.382 5.232 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C(/C=C/c1ccccc1)c1ccccc1 1084479285 YZPNVCJJMMMBMA-RJHRMMLRSA-N 528.244 6.133 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1 1084491061 KQFUBOWXUASOFO-UHFFFAOYSA-N 577.706 6.381 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084536149 ULORWMMCFMVMKK-LZYBPNLTSA-N 719.100 7.025 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 1084564597 LWWPOEQXRIBKET-UHFFFAOYSA-N 672.443 6.003 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653476 RCEOSUWHCUFDEN-JPNRISNCSA-N 549.618 6.626 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744013 PGCMZLODBAGZKP-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 1772755265 YACACXZORSOEKT-UHFFFAOYSA-N 669.425 8.239 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686130 RRUYIAHDBPUAHS-LJQANCHMSA-N 501.295 6.569 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865691607 WHEIGQNPSPWGPX-XMMPIXPASA-N 515.400 6.629 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865691705 ZEXLPULAPOJOPB-VWLOTQADSA-N 565.512 6.692 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695907 IZSSVOIZXXJZOY-IBGZPJMESA-N 515.795 5.173 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697633 YMQLJLQJHNMLBE-LJAQVGFWSA-N 555.078 6.386 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700682 BCWYTEJNTKZDQG-HHHXNRCGSA-N 563.460 7.127 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700692 BGLCABIEQYBNSB-DEOSSOPVSA-N 518.404 5.934 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700757 CWCSXWSWZVVELR-MHZLTWQESA-N 563.460 7.127 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701330 SKGGKUIGLVNSDW-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865702296 RYRQBUNZTYCRHH-HNNXBMFYSA-N 513.676 5.664 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702877 HJPJQJRKRGQTJQ-MHZLTWQESA-N 511.025 6.253 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865702897 HVAJEQJSBULYBE-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865703261 RUKXEAYATNMDQO-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865704302 SDCNQIFAEVVAIZ-JOCHJYFZSA-N 517.372 5.822 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705389 UPGIWMSDBOZJDI-SANMLTNESA-N 507.594 5.334 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706424 WJBSAKLEOJSCOB-HHHXNRCGSA-N 516.557 5.633 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865710884 KSTXIQBCQKYVPW-DEOSSOPVSA-N 500.961 5.926 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)nc(Cc3ccccc3)n2)cc1 1868207143 HPLBTHRVZOCHHW-MHZLTWQESA-N 539.108 6.457 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868207548 NIKVZYVGVXHDTA-FNZWTVRRSA-N 511.626 6.490 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1Cl 1872757805 WUYHDZDWGILKRI-QCLUAIMQSA-N 516.406 5.980 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)c1 1872791328 DNZQFLCDFWNSRD-LZYBPNLTSA-N 515.429 6.450 50 10 KKGE COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)sc(/C(C)=C/C#N)c1C 1873427528 WNZKQERUHXQEJM-KQJPFVROSA-N 500.620 6.737 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 1873793171 ADRPWZZUQYHSJB-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(Br)cc(Br)c2)C1 1900368624 WVYBSTAQHIDRLP-ZIAGYGMSSA-N 561.052 5.151 50 10 KKGE O=C(c1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311119 DPRZKRIYGLZZGT-GOSISDBHSA-N 516.071 6.028 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1sc(Br)cc1Br 1922947229 ZWPZNMVYHICINC-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3c(s2)CCC3)c1Br 1924592488 ZCDOUUJOAQWGFC-SECBINFHSA-N 535.946 7.070 50 10 KKGE Cn1ncc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1I 1924605883 YFAHYUHFWPEONO-LURJTMIESA-N 575.289 5.702 50 10 KKGE FC(F)(F)c1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cs1 1924615278 YSGOQILQAKNYCY-SSDOTTSWSA-N 519.427 7.444 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 2030227958 VXQBVNQQFTWDBM-CYBMUJFWSA-N 564.906 6.924 50 10 KKGE CC(C)(C)C(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 2034339789 RYKXHLWJTKSGNX-SNVBAGLBSA-N 552.870 5.737 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(CO)c3c(Cl)ncnc32)C[C@H]1O[Si](C)(C)C(C)(C)C 2037504662 AXAPBUXBGVNXIJ-QYZOEREBSA-N 528.242 6.277 50 10 KKGE Cc1cc2nc([C@@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Br 2040757575 NNQMKKRUKHQFIN-OAQYLSRUSA-N 510.907 7.500 50 10 KKGE CC(C)C(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@@H](CO[P@@](=O)(Cl)N(C)C)O3)c2n1 2081228286 WAHZVPMCAUKPIH-DWPQQEBPSA-N 853.317 8.067 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(C2CC2)CC1 2085493211 ZHKAELKWDAUOPG-GFCCVEGCSA-N 522.300 7.207 50 10 KKGE Brc1csnc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494170 KLVQGNHRDHCBAD-SECBINFHSA-N 648.632 7.440 50 10 KKGE FC(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496587 XCTHAKXOVCKPOR-JJXKXHSHSA-N 576.693 7.074 50 10 KKGE C[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496617 XFJJNNBMLNLALE-PTZCXBDSSA-N 568.767 7.609 50 10 KKGE FC1(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085500144 XJKXMHKEVXWDCC-QMMMGPOBSA-N 572.730 7.455 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2098112809 ADEHIINOSSLDFJ-ROUUACIJSA-N 500.662 5.087 50 10 KKGE CC(C)(C1CCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468462 KBCRGACUQYGAIT-ZDUSSCGKSA-N 538.343 7.843 50 10 KKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474085 XBFYTQOPQUHSMR-NYNCVSEMSA-N 584.766 6.988 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1OC 2150344726 RDDIIIWCNBBALW-NSHDSACASA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)c(C)nn2C)c1Br 2201074324 RCXLMMVDAFYXOW-CYBMUJFWSA-N 529.896 6.117 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2203434428 ZJLVGNRJYGWVHT-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE Cl[C@H](C[C@@H]1CCC[C@@H]2C[C@H]12)c1c(Br)c(Br)cc(Br)c1Br 2206395663 PIASGMAGUFKWKX-JDVQERKKSA-N 550.354 7.843 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1I 2207101084 FSTIBAAMOVPLRZ-HNNXBMFYSA-N 554.991 5.623 50 10 KKGE FC1(F)C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199451 CMTBYISUEQWIAX-IUYQGCFVSA-N 503.826 6.312 50 10 KKGE Cc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1I 2232832504 CMKFULIDNJHKLR-HNNXBMFYSA-N 554.991 5.623 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)cc(Br)c2)c(C)c1Br 2235602503 DPEBDIYZPDCJFG-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Br 2235607864 HKXRDXOKAJZVNI-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2278098569 ADICDZOXEWMPJO-ZDUSSCGKSA-N 532.035 6.953 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2282896632 KTKOTPPGUMRWOV-CYBMUJFWSA-N 662.154 7.809 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)ccc1Br 2288344132 GMPBHLJVSBSFKT-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 2294155902 ACIGRBYNZMQGCA-UHFFFAOYSA-N 541.438 7.397 50 10 KKGE COc1c(C)cc(C)cc1[C@@H](Br)c1ccc(Br)cc1I 2295367559 LKNYLKPZUIOWOA-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE CCN1CC(=Cc2ccccc2C(F)(F)F)C2=C(C1)[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 2295869842 JSCZXWWZAWREOE-QFIPXVFZSA-N 505.462 6.205 50 10 KKGE N#CC(C(=O)NCCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296033238 RMSPYVUZBJYRHN-KKLWWLSJSA-N 793.758 6.779 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1 2313545872 LVJBNXKQKLBFJE-UHFFFAOYSA-N 546.465 5.683 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C)cc1 2313571558 YYXAQUZEXWSGBZ-UHFFFAOYSA-N 593.248 7.040 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NC[C@H]1CCCO1 2314475846 DHTWESALEVUKRB-MUUNZHRXSA-N 522.580 5.460 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(C)cc3)c2)cc1 2314478021 FMGUVYCHKBHHTR-UHFFFAOYSA-N 545.664 7.074 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314620593 RWAJQPBXLCGWPD-UHFFFAOYSA-N 540.591 5.647 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 2314634011 AXBSNNZVPZZJMA-HHHXNRCGSA-N 529.434 6.584 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1Cl 2331051564 LMXVBFOSQIADBH-UHFFFAOYSA-N 513.333 6.325 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(OC)c1OC 2331362866 WBGJVFRDLSQEDI-UHFFFAOYSA-N 519.406 6.657 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c(OCC)c1 2331389189 CMTLMRJNUUEUBS-UHFFFAOYSA-N 518.376 6.162 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 2331391751 ADKTYUIWDXMVAN-UHFFFAOYSA-N 507.999 6.125 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1OC(=O)c1cccc(Br)c1 3025404 JCSGLOOERZHQLA-XODNFHPESA-N 590.268 5.585 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 7018846 BODDXCYPGABUOO-QPQMVVSWSA-N 597.332 5.954 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 14653006 SPDACKHCHLJWDD-UHFFFAOYSA-N 524.415 5.119 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38658187 LZPXLCZVSLYIMO-MHZLTWQESA-N 502.954 5.416 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38660236 WIPHZEYICPYZJN-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 38660283 XWMKBVMJVILQCZ-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 38686001 AFSHJTXSIRPMNI-LJAQVGFWSA-N 510.634 6.990 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 40530069 YYUBNXYKWHGYHY-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE COc1ccccc1CN(C(=O)CCl)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC(C)C)c(OC)c1 97914680 DPYQVNCCVWZMMY-HHHXNRCGSA-N 517.066 5.249 50 10 KKGE C[C@@H]1Oc2ccccc2C=C1/C=C(\C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 100919855 XDEDFQUIOOKVMN-RPNTZMPASA-N 554.469 7.596 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101337130 JDWJGETYUKZNFW-YEFXCMPDSA-N 605.094 6.543 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101339508 MVXLWKOKFDDOFQ-JVWAILMASA-N 524.580 6.386 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 101339810 LYRRXOLVCYDFFX-BUVRLJJBSA-N 530.621 5.956 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101360374 ANHXFYMVJHUWMG-FQEVSTJZSA-N 530.449 5.708 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101367112 CYYZRPGUCMIKEB-VWLOTQADSA-N 527.360 5.213 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367527 UAZINILNMIPRIR-DHYKOVJISA-N 576.649 6.428 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381696 VDXIXCBWBSMIRZ-PRAQEBQASA-N 536.559 5.996 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1C 101381771 RYJUNWGIDYXBJI-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383024 DFTVXAXPIQXCEJ-XIFFEERXSA-N 581.068 7.245 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386345 KRXSRLSUOWPDPY-XIFFEERXSA-N 597.067 6.747 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388208 RXXHLHQMZSBLAE-XIFFEERXSA-N 613.066 6.529 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccccc1Cl 101388338 JSPSZWILDCIDGH-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101388691 FXDANHAJCWDDAA-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101392747 MSUOEIRRFKABPN-DEOSSOPVSA-N 541.387 5.847 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2c1 101398840 CETZICPTQWTPEU-YTTGMZPUSA-N 574.608 7.459 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102563921 WLFMZIXIJGWRNQ-YMGIJWJESA-N 502.527 5.107 50 10 KKGE COc1ccccc1C(=O)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103749955 JPTVYLVECYKNHC-WCWDXBQESA-N 583.167 6.250 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)cc1 103755222 QDTAFQOGQDGVJR-CIAFOILYSA-N 538.385 6.041 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1 103755249 IFGMCPUWQFRCKY-UDWIEESQSA-N 570.281 7.043 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 103879003 YEJPEQVQMNPRNT-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc2cc(Br)ccc2o1 103879607 PPIGXELZCRVMEE-IFRROFPPSA-N 516.971 5.190 50 10 KKGE COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 105475627 WXUBIQACHONKLG-KCSSXMTESA-N 563.879 6.972 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484358 ZVWIKMHTXPCQIH-HODXYXJOSA-N 633.915 8.071 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2Br)cc1Br 156136050 LDIRESGEWOMHEU-ZDUSSCGKSA-N 515.840 6.906 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 164013343 USFHWVJEZNKEFR-JEPNHJGPSA-N 709.766 6.906 50 10 KKGE C#Cc1c(C#N)ncn1[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 204903976 RJVWHBXVWDAUNX-QUMGSSFMSA-N 592.018 7.436 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205671164 XYVBYMKCYOEPJB-JYUCFETQSA-N 576.624 6.949 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776197 SVAAFWSJTPWOMF-HIQWWTPOSA-N 632.742 5.635 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214278181 GBTHKGIOGCQSAD-MIXAMLLLSA-N 528.612 6.119 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214425447 GQXRZZRJPZWRGP-QQXSKIMKSA-N 522.605 5.010 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 236038082 PCFRSTJRTZORCT-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1cc(I)ccc1Br 236232703 OUCFWBMSANOAFW-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 254379989 BZDXHUPOXYVLHS-NBEKDTFESA-N 569.709 6.457 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 254593976 RFBHYSTXDDSGEP-UHFFFAOYSA-N 505.615 6.390 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc3ccccc3c2)cc1 254672691 MCSNBIXPBAKUBN-UHFFFAOYSA-N 518.569 6.140 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(Cl)cc1 254683054 ORZAHRVPYHKTRE-QGZVFWFLSA-N 616.916 5.768 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 254873936 LFURLIIZODZUPZ-UHFFFAOYSA-N 514.581 6.564 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025133 OGHUVJCTSYYAOG-NABFUDMYSA-N 672.671 11.271 50 10 KKGE Cc1cccc([C@@H](Cl)c2cc(Br)sc2Br)c1I 300470492 BCDSIBHQEQTTSY-SNVBAGLBSA-N 506.428 6.514 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2F)[C@@H](CI)C1 382698132 MADSXRAYBUPXEZ-YOEHRIQHSA-N 518.164 5.375 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](CN=C=O)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 504718937 FWULWQNHPKVVEM-QJCSISDESA-N 679.605 5.621 50 10 KKGE in-vitro CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](n2ccc(=O)n(C(=O)c3ccccc3)c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 616589931 ZQLNYSHONZQUQN-WBWQBWBNSA-N 646.798 5.669 50 10 KKGE CCn1cc([C@H](Br)c2cc(Br)c(C)cc2Br)nc1Br 698372794 JJOJNKDWOJWZIJ-GFCCVEGCSA-N 515.869 5.983 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1Br 719384489 PCFJOIDYBVXERV-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1083942682 BWSXPOJVQZIIDM-UHFFFAOYSA-N 644.090 7.450 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 1084060617 LCAICCOMUHGKEF-HHHXNRCGSA-N 561.476 6.544 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084241739 NOXNLHKYEGFJFE-MHWRWJLKSA-N 567.185 6.862 50 10 KKGE Cc1c(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 1084418324 QBNFSXXRAPPUPL-RVDMUPIBSA-N 533.651 6.818 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 1084437705 RMWDJPZQWCEHGU-UHFFFAOYSA-N 548.064 5.649 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c2ccccc2F)cc1 1084460488 XVHPMBQUMKVRNA-UHFFFAOYSA-N 566.054 5.712 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 1084487530 JEOGYHHLNLZKJZ-UHFFFAOYSA-N 510.299 5.680 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1 1084598636 NXPYYEGPJBQFEN-UHFFFAOYSA-N 558.704 5.061 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1 1084602827 SQCIGMBEMLCDLJ-UHFFFAOYSA-N 564.800 6.011 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@@H]12 1085210842 GIYFCLWJTRRGLG-ZDDCFUFMSA-N 532.958 8.909 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681785 WWYULAXZZQZMPG-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCCc1ccccc1 1865688239 NROBYONWSZTLSK-NDEPHWFRSA-N 545.014 5.881 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865688693 YKLIWYRBXRHUEW-OAQYLSRUSA-N 510.903 5.984 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(Br)c1O 1865689348 QEAGYLLBMNRHIP-HNNXBMFYSA-N 541.711 5.239 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691600 WBNZIPWWPMFDEF-HHHXNRCGSA-N 553.078 6.862 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865695760 SLGFJXNRQDIPEG-HHHXNRCGSA-N 522.605 5.541 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cc(Br)ccc1O 1865696147 KJTLBQJCXMMNSP-OAHLLOKOSA-N 511.685 5.231 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865697080 WMLSQGCCGWNAPY-RUZDIDTESA-N 507.034 5.943 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cc(Br)cc(Br)c1O 1865700710 BPMPHRSLIZCGMC-NRFANRHFSA-N 578.264 6.047 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700895 HDZKWFYJGKDDEJ-QGZVFWFLSA-N 550.638 5.537 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702715 CINCQFNNKUIPOT-HSZRJFAPSA-N 571.386 7.304 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865705262 PVRHUQBVHKMICR-DEOSSOPVSA-N 527.422 6.307 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OC(=O)c1ccccc1 1865705477 WSJBDLUHEKUZEI-LJAQVGFWSA-N 572.596 6.183 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 1865714746 PFQDIFMXDKZERN-NRFANRHFSA-N 503.787 6.173 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2cccc(Br)c2)c2nccs2)cc1 1867036629 NNIGLXLWFAARFL-DQEYMECFSA-N 591.556 6.367 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867123058 RFBWGAQWRGVVAW-GGXMVOPNSA-N 541.623 6.426 50 10 KKGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867190495 BEKQHJATWCIEOY-VWLOTQADSA-N 586.695 5.551 50 10 KKGE CCCC[C@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867212073 MSEVWAAPLGVUPO-GOTSBHOMSA-N 516.505 6.466 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5c(cc4[C@@H]3c3ccccc3)OCO5)n2)cc1 1868321313 YTUXOXYPNFLKFB-XIFFEERXSA-N 569.690 7.650 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456890 WDOPDWGWOITNRH-UHFFFAOYSA-N 548.647 7.180 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3Cl)nc2c1 1872728718 PIYVVONGPQYLNT-VCHYOVAHSA-N 506.345 6.072 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCCc1ccccc1 1872793189 MLZKSZLYGCXZFR-JJIBRWJFSA-N 524.686 7.810 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915077296 UKMUAQXJQUAVEN-OAHLLOKOSA-N 506.609 5.761 50 10 KKGE CS(=O)(=O)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923074692 QGQZJYHFRNQDFN-SECBINFHSA-N 523.493 5.814 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CCCOCC2)c1Br 1924616263 MZNJNTAORKFGAZ-YUMQZZPRSA-N 525.926 6.678 50 10 KKGE CN(CCN(Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl)Cc1ccccc1 1933543204 DYAGJJQJUGRWPO-UHFFFAOYSA-N 536.739 7.136 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(I)sn2)cc1Br 2078002641 CKRPXLIAERQLGL-LBPRGKRZSA-N 502.997 5.312 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085494775 NKKQCAXIFFFRNA-NVNXEXLPSA-N 592.767 5.606 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 2116580629 PMJVZVKSUDYTMF-SSDOTTSWSA-N 549.870 7.594 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)CC(C)(C)C 2123246828 OENSRBJTLIYLGU-UHFFFAOYSA-N 503.300 5.889 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)cc1Br 2142289609 RNZBUVLPEZTKQI-CQSZACIVSA-N 623.746 7.371 50 10 KKGE CCCCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 2175011024 SJLRRQUDWXNBAY-JIMOISOXSA-N 585.445 5.649 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2206577951 GJARCISSWOPMKL-ZDUSSCGKSA-N 527.876 6.775 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2225618432 ZEEBYEJEBXDOPH-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511091 IVEBZENFMJMHRT-LLVKDONJSA-N 526.252 7.795 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(C)ccc2I)cc1Br 2240994821 CPPNRBDVJHDCBO-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1cc(I)ccc1Br 2278029839 ZNPBYRGQLNHSKY-ZDUSSCGKSA-N 548.490 7.421 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(Br)c2)cc1 2296645839 JGXHCXVOICWSIG-UHFFFAOYSA-N 549.469 5.225 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 2297321192 XASWKCZDOYGMIV-UHFFFAOYSA-N 614.338 5.685 50 10 KKGE Clc1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2299524166 AXAUMLBXYOGPLN-INIZCTEOSA-N 507.074 7.881 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592093 LTQHTZNQRGQOLK-GDLZYMKVSA-N 523.702 6.965 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314616705 HWHFYZGBMNSFEH-UHFFFAOYSA-N 595.725 5.249 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314619523 ABTXKZVUOIMCRI-UHFFFAOYSA-N 558.638 5.782 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314620385 OZJXKCWPASOBFH-UHFFFAOYSA-N 549.030 6.036 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 2314634306 ABCSUTLRPKWKDB-XIFFEERXSA-N 542.635 7.613 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)cc1 2314646534 AOFMLYBWJOMRHU-PGUFJCEWSA-N 746.845 7.197 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OCC)c1 2331389123 VBGXASCBNKWZIT-UHFFFAOYSA-N 506.584 6.066 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331429911 SXAVRALMVMTOJB-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE CC[C@@H](Br)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349823913 HETOZWFEIRILPA-IUODEOHRSA-N 501.044 5.582 50 10 KKGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CCBr 2349825738 RKMNDJZVUDCJBZ-AAEUAGOBSA-N 501.044 5.297 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Cl 14648653 CMKBMSMUAVZXCB-UHFFFAOYSA-N 512.857 5.011 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14666959 OATSKFOXCPUHNV-LBPRGKRZSA-N 504.208 5.019 50 10 KKGE O=C(c1ccccc1SSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 29467459 YZFSVFZAJFLQHY-UHFFFAOYSA-N 594.806 6.411 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 29503132 FOGMNEXDEBTEJH-QOMWVZHYSA-N 565.699 5.958 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3)c(C)c2cc1Cl 38687795 LNUJEOUZBSHMGF-DEOSSOPVSA-N 505.357 6.794 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701294 GRRFSOOUNHZVLS-MUUNZHRXSA-N 508.574 6.666 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)c1 40530117 DZTBAXDJZPAKPT-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206234 WOYUXQWDVWQDOW-UHFFFAOYSA-N 582.676 5.327 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 100237693 DUQLEIBSEWCUKE-YFKXRKALSA-N 603.413 5.141 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101334960 DBIYNDDPDFSVDF-VICVKWBVSA-N 526.596 5.655 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101338914 HGVPVRLGHYKDHH-MTDXEUNCSA-N 520.633 6.251 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 101340789 WLZGEYSJCLHOLY-JVWAILMASA-N 549.030 6.302 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Cl 101340806 YYRJGTDAAOHFDB-WGOQTCKBSA-N 597.502 7.427 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385910 OAOQXMIAFCNWJF-VTLMBFNKSA-N 611.094 7.081 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387364 LXUPRIMJAVEEKY-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101390561 JMTALJPVFCHPQU-XMMPIXPASA-N 531.362 5.950 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCC(C)C 101395569 IIIPSOUKMRSDLD-GDLZYMKVSA-N 573.045 7.184 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399563 NOZMTVLNKWFTQA-MGBGTMOVSA-N 604.634 7.522 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 101710630 RACWQLGGBILFKD-XQNSMLJCSA-N 527.418 7.126 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741954 QILXQJKNNNIWKP-QPSWJSTDSA-N 587.326 6.499 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1ccccc1I)OCCCO2 109865168 WLIGKSVOHFGLTJ-MRXNPFEDSA-N 523.990 5.699 50 10 KKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 161121229 UQIRZSJTADFFHF-HNNXBMFYSA-N 517.870 7.401 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2cc(C)cc3c2Oc2c(cc(C)cc2P(c2ccc(C)cc2)c2ccc(C)cc2)S3)cc1 196085643 UYKLVFPHRZVLMI-UHFFFAOYSA-N 652.780 9.310 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OCC 207297305 DWKXKVATPGGDDB-KQWNVCNZSA-N 508.615 5.243 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2=O)cc1OC 214368919 DBYFXFIEYIPCNY-IMRQLAEWSA-N 562.601 5.531 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 214382525 KQNZYTLEQKCOPW-ITYLOYPMSA-N 500.639 6.535 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 233790954 MTYSBKHRWMVXGE-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@H]2CO[C@H](Cc3ccccc3)O[C@]21C 248155798 INXHCOIWXVXIHV-VLRMEJBNSA-N 542.792 7.358 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1 254429739 IELLCXLIEUHDTL-UHFFFAOYSA-N 551.622 5.587 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256020051 UFLQEBNPWKEUEY-OVPDYOKCSA-N 698.496 7.548 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 256313450 OGAQVUGJYFZLEO-IJFOPLARSA-N 589.648 6.892 50 10 KKGE O=C(CCC(=O)N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 261492784 CCVFYCSNUPAKII-WREUKBHHSA-N 789.264 7.337 50 10 KKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312893927 WWEGFQCMZJZMMQ-ZYHUDNBSSA-N 515.027 5.222 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616670257 WMRCXDUUAVIVJO-GDLZYMKVSA-N 525.926 8.767 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1083966896 RMXWMPGYMMRGGT-UHFFFAOYSA-N 545.275 6.133 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084322982 MVXMQTNSXTVVAT-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084370519 OWGQLIDKMQTQOM-UHFFFAOYSA-N 518.853 5.947 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 1084413575 UFNMNTPKBOHKSI-QFIPXVFZSA-N 501.366 5.235 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 1084606872 CPSIFZAXSAJHQW-NDEPHWFRSA-N 591.502 6.553 50 10 KKGE ClP1(Cl)(Cl)n2c3ccc2[C@H](c2ccccc2)[C@H]2C=C[C@@H](N2)[C@@H](c2ccccc2)c2ccc(n21)[C@H](c1ccccc1)[C@H]1C=C[C@@H](N1)[C@@H]3c1ccccc1 1307259481 YEYOZUHMZWTTAC-XDLKAMQHSA-N 760.149 10.879 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743582 CNZHNHOUBCALQM-UHFFFAOYSA-N 533.799 5.093 50 10 KKGE Cc1cc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)ccc1Cl 1772752516 XNJLRQKSJXBBJI-UHFFFAOYSA-N 547.236 5.510 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@H]2O[C@@](O)(C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC1=O)[C@H](C)C[C@H]2OC 1848433403 QOPPKWCRXKAHTN-FIUIIPSLSA-N 932.366 9.270 50 10 KKGE CCCCC[C@@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665496 OUFIJZVLVZAQTQ-SDJQYSTFSA-N 549.349 10.844 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)ccc1O 1865681802 XGASOMHJZPKSBD-DEOSSOPVSA-N 516.960 5.713 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695219 MZKMNYQPDYWEDH-VWLOTQADSA-N 547.840 6.394 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc(Br)c1OC(C)C 1865697184 OVIBRFMRARJVFK-JOCHJYFZSA-N 527.394 5.155 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cc(Br)ccc1O 1865697274 YYCCVWLPCYXWEM-JOCHJYFZSA-N 533.813 5.938 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700941 IBDBSAHSIHDSAL-SANMLTNESA-N 569.851 7.136 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703393 VBLKMJIAQWPLOV-LJAQVGFWSA-N 533.031 7.038 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705885 ILWLXENCYBQIHQ-SANMLTNESA-N 549.974 6.481 50 10 KKGE CC[C@](C)(NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866598355 GVJTYXJJBOPSRK-NDEPHWFRSA-N 538.739 5.586 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866681042 DDUHDIAKJYEIGL-MUUNZHRXSA-N 552.700 6.429 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866981470 WUHTZOWDVWGRNZ-FTJBHMTQSA-N 505.615 5.513 50 10 KKGE CC[C@](C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867034120 CFNQIWHDVIUFIQ-YKSBVNFPSA-N 543.512 5.924 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867216271 IETBXAUPJRXKPN-SANMLTNESA-N 508.603 5.137 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867221167 NYPYNZDGBIBUNU-UIOOFZCWSA-N 549.668 6.252 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1OC 1868207081 FRVALAHRPLTFSA-AOYPEHQESA-N 553.688 6.104 50 10 KKGE Cn1cc([C@@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)c2ccccc21 1868364594 AJLWFHPPRNMJTH-MUUNZHRXSA-N 531.645 5.630 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 1872751054 RKBCQSUZGZMCRY-AAMGNDOASA-N 509.971 5.089 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccc(C)cc1 1872792528 DSXILGMSRQWLGL-JFLMPSFJSA-N 508.687 8.394 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c(C)c1C 1872792936 YMEWBJUKQUXJEF-MKMNVTDBSA-N 520.246 6.730 50 10 KKGE COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 1873794905 IGYPNXVABYMSMI-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE CC[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568159 CGJDYHZHHHWBIH-HZGVNTEJSA-N 517.853 6.907 50 10 KKGE FC1(F)CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924605174 NKDPIOJEZUSGKV-YFKPBYRVSA-N 503.826 6.517 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924605886 YGCOQGFSZSAUFP-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(I)sn2)c1Br 1983293315 RVEFOAOAYNGQLL-ZETCQYMHSA-N 513.445 5.971 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 2069467168 YCOIJPSIDUQDNN-BLUHADNZSA-N 812.448 5.694 50 10 KKGE C[C@H]([C]1C=CC=C1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 2081143522 NJINJCRIRIKJFX-OAQYLSRUSA-N 733.493 10.744 50 10 KKGE C[C@@H]1OCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496477 RCCAWMSAAHRXQT-AWXIBCPOSA-N 526.288 6.442 50 10 KKGE Fc1c(Cl)cccc1C[C@H](Br)c1ccc(I)c(Br)c1 2113466992 YXHADWLESAHQMQ-JTQLQIEISA-N 518.389 6.525 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cc(I)sn3)c1)OCCC2 2120033148 QZFVXKCJSRKZHC-GFCCVEGCSA-N 515.008 5.320 50 10 KKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(C1)C(C)(C)O2 2121886552 VRGLHGSRXCKRBS-LHKGTJRUSA-N 537.937 6.819 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138850818 IKTANBXAYABZAE-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CC(C)CO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 2165550901 GJAXCHKMESDSOD-JIMOISOXSA-N 632.445 5.300 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(I)ccc2F)c1Br 2201063584 DSNPHISVYQOTNH-HNNXBMFYSA-N 532.416 6.900 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)cc2Cl)c1Br 2201073307 YWFODZJRJDHFSB-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 2202355333 AHAOIEFATHSWNW-CQSZACIVSA-N 595.294 6.963 50 10 KKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(I)c(Br)c1 2204510967 KWWQTJWUZHQOQT-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206404528 AJNJOEUYZQEGBI-ZDUSSCGKSA-N 587.158 8.372 50 10 KKGE C[C@@H]1CC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2214910579 NKBLXSVNZJVPNT-IJESPZCISA-N 510.289 7.063 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CC1(Br)Br 2233041051 RXDCTQDPTYYDKB-NKWVEPMBSA-N 505.863 6.258 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2235610855 HVMBPWOKLXOFQP-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2237458970 VVAFKQUBCSORST-SNVBAGLBSA-N 505.834 7.336 50 10 KKGE COCC1(COC)C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2238380706 MCSOXFISLOPPJW-YUMQZZPRSA-N 555.952 5.956 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2272854091 MYDANMPNAUUYQW-SFHVURJKSA-N 547.031 7.553 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)ccc1I 2277957919 YMYCYHFEYNMBEE-ZDUSSCGKSA-N 579.295 7.101 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2293715998 NQEXAUOXGBMGKK-UHFFFAOYSA-N 504.015 5.504 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1Cl 2297413565 JVQIAVJHDSZOSE-SSEXGKCCSA-N 505.021 7.125 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2c(c1)OCO2 2313571360 ULHAHSOAZYTNDB-UHFFFAOYSA-N 623.230 6.460 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314610452 ILUMADSDHYAKRR-UHFFFAOYSA-N 515.529 5.240 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 2314611729 ZKRBPAAEIBDTCP-UHFFFAOYSA-N 508.622 6.029 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314618399 MYIPRQUQFWVCDQ-UHFFFAOYSA-N 545.039 5.610 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314620129 KCNNZYXPHFYPEZ-UHFFFAOYSA-N 616.674 5.290 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314620949 WWWHLMCFEQUGIE-UHFFFAOYSA-N 611.101 7.564 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 2314753790 FMFYLIKAFINULM-UHFFFAOYSA-N 581.134 8.067 50 10 KKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc1 2320488240 ODSVQPVPWQMAER-UHFFFAOYSA-N 530.719 6.483 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c2ccccc2)cc1 2331231814 GCLJJWMLRCIGSO-UHFFFAOYSA-N 512.634 8.519 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 2331485161 WXTJCXWDKKHLIR-UHFFFAOYSA-N 523.905 7.929 50 10 KKGE Brc1cc(Br)cc(CO[C@@H]2CCCCCC[C@H]2I)c1 2337096909 JBXRMHPQXHZDOJ-HUUCEWRRSA-N 502.028 6.255 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2338030460 ASKTWQRPQQOVPL-CQSZACIVSA-N 578.933 7.315 50 10 KKGE CO[C@]1(C(F)F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2343017032 INIPXHJEXDQYKL-ZTBPNRJZSA-N 547.879 6.532 50 10 KKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(CCOC2)C1 2349840150 CGXBMZMLGITBGZ-UHFFFAOYSA-N 500.012 5.178 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360400804 JTFTZTOVDNUXOR-LBPRGKRZSA-N 512.346 6.967 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362248385 BTRRNZDCKSOWAR-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)cc1I 2365596501 VVSRRHFCCWEHLU-GFCCVEGCSA-N 556.797 7.076 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)ccc2I)c1 2366891800 YWPWUBRQBXGUBL-AWEZNQCLSA-N 548.871 7.429 50 10 KKGE Cc1cc(Br)c(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)cc1C 33462285 BBJXGQFGOOCGOJ-UYRXBGFRSA-N 501.384 6.024 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 34983880 MKXYEQMXTPESOS-NKFKGCMQSA-N 501.590 6.677 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38650686 AISZRTPUKSCPME-MHZLTWQESA-N 504.970 5.640 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCCC(C)C 38660338 KVKQNMKRHFNGFX-NDEPHWFRSA-N 514.578 5.566 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)CC1 38701138 IMZXJQOQLVCIJX-GRNKHODPSA-N 516.682 7.232 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)cc(Br)c1OCc1ccccc1 40889024 XCDMIOVWGWZXQP-RWPZCVJISA-N 511.416 5.689 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 58889261 XWEQWVQFTZSWSI-OADPBGPJSA-N 519.798 5.785 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1C#N 59432824 ASXFMJVJHOOCJP-SRZZPIQSSA-N 502.368 5.762 50 10 KKGE COc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3sc(C(=O)N(C)C)c(C)c3C#N)c3ccccc32)c1 98064028 ZGXRGWUPJGDAOP-MOSHPQCFSA-N 523.618 5.187 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100108805 AAZAIFRXTXDQOH-ROPCREHHSA-N 606.890 5.365 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1 100235865 CQNNYXMPEKHLNM-DVMDLWDRSA-N 573.459 5.929 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc3ccccc3s1)[C@@H]2Br 100848519 XAVWBXLWSVSLCW-NVGVWMPQSA-N 537.115 5.921 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101307505 MILFXAUFHAZREQ-GDLZYMKVSA-N 536.584 6.314 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337711 XXLSTRVBRUSJNU-XDQFAZSOSA-N 563.057 6.945 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101368348 ZPAMJGQFPIWIGG-XBBWARJSSA-N 546.595 5.850 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101373756 NCCRREDBEQHGIF-WENCNXQZSA-N 542.632 6.028 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc21 101378221 KMRQAZIGLHFBOV-MUUNZHRXSA-N 529.549 5.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382631 BCSNUGIVYQXQRF-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383634 MDOOJCXHJUKHRN-SSEXGKCCSA-N 540.522 5.746 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 101393063 SBWPXMAWXDUTPH-LJAQVGFWSA-N 611.522 7.797 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399838 XYXHSQNGJHUQDU-ZWXJPIIXSA-N 594.595 5.767 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccc(Cl)cc1 101692187 MHTQEMCGGNDKTK-XODNFHPESA-N 531.834 5.836 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103723892 BEKWLALQYVXHOI-CJCQAYSXSA-N 519.297 5.520 50 10 KKGE O=P(CCl)(CCl)OC/C(Br)=C(\Br)COP(=O)(CCl)CCl 106889387 NLEFUJUIDXCJPF-BQYQJAHWSA-N 535.748 6.362 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN/C=C1\C=Nc2ccccc21 135999959 ZFDZNGPWUCJDNF-RELWKKBWSA-N 531.645 5.503 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433810 SIUGHIVRRNMIPW-JGCGQSQUSA-N 641.507 8.463 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 150483466 JGTZRNTXNRHFJV-HHHXNRCGSA-N 668.385 9.531 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497419 FUDQFHWQMMPJLM-WCMJOSRZSA-N 689.555 7.946 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1C#N 164647093 PEQCVIFJXJPGQZ-NNLKUIAGSA-N 633.546 7.829 50 10 KKGE C/C(O)=C(\C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@H](NC(=O)COc2ccccc2)[C@H]1SS(=O)(=O)c1ccc(C)cc1 164657568 JYBFYDOVDDHVMZ-NRVGAJNVSA-N 672.781 5.271 50 10 KKGE COc1ccc(C=NNC(=O)CSCc2cccc(F)c2)cc1CSc1nc(C(F)F)cc(C)c1C#N 254305005 YZPHJNGWZQXCRI-UHFFFAOYSA-N 544.624 6.023 50 10 KKGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 254498061 JRLZKOGATBXXIC-UHFFFAOYSA-N 579.531 5.248 50 10 KKGE COC(=O)c1ccc(N=Nc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 254500947 NTKJKFINLOMQHR-UHFFFAOYSA-N 515.573 7.383 50 10 KKGE O=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254778230 ZHLUQKQMBXXUNN-UHFFFAOYSA-N 547.533 6.438 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1 254870492 ZCSVURHHYDYDIB-UHFFFAOYSA-N 520.677 7.338 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 254873271 IHFNITZSRAQSFA-UHFFFAOYSA-N 542.642 8.277 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1cc(Br)ccc1I 312305699 VTNJUUWSGPILPC-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE ClCCc1nc2ccc(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607748 BDBNKSLQWWPVNM-UHFFFAOYSA-N 524.890 6.052 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\C[C@H](CCCOC(=O)COCC(=O)O)C[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)(C)O[Si](CC)(CC)CC 725238187 LWCXCQDTDVSQAT-DGSUIZMOSA-N 817.354 12.690 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccc(C)cc2)cc1 725383539 NKSJSEBFVGBYKP-UHFFFAOYSA-N 564.708 5.609 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)c1 725437490 ILMROWLQCQMTFB-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 725439115 MWKAQPSHABECRX-QHCPKHFHSA-N 511.416 5.309 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1083938468 SOJNIIRROVLDMJ-HXUWFJFHSA-N 532.482 5.861 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084057839 PSBJMYSWXQXHQF-FYJGNVAPSA-N 565.386 5.756 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 1084095306 ILHIICXYOVAJKK-UHFFFAOYSA-N 705.128 6.400 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(Cl)cc2C)cc1 1084107344 JMTXOQULEQFDLH-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084141204 YSAGNAINWQZQCY-UHFFFAOYSA-N 539.551 5.156 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084157611 UUQBWJCMUZEGQM-YBFXNURJSA-N 587.257 7.517 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2)cc1Br 1084186946 COOGMSHGGLTRQQ-UHFFFAOYSA-N 637.512 5.834 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084213003 FDLYQDKNOQUJPX-RQZCQDPDSA-N 576.230 6.587 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084262690 VFODZMUEHJHHRN-UHFFFAOYSA-N 687.911 6.739 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@@H](O)[C@@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294745 XDBLYTWRNMYVCA-MMFOUANKSA-N 544.937 8.836 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(Cl)ccc1Cl 1084345478 DZWPQSATZLGSQI-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084565337 MGPNJLMIAUYVRN-OVCLIPMQSA-N 615.536 8.296 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2Br)[C@@H](CI)C1 1614690221 DLOQTZZCSRBIFN-YOEHRIQHSA-N 568.171 6.255 50 10 KKGE CC1(C)[C@H](C(=O)O[C@@H]2Cc3cccc(-c4ccccc4)c3C2)[C@H]1[C@H](Br)C(Cl)(Cl)Br 1615216042 DAAAPMWVNHNPEL-TTYHFUOFSA-N 561.141 6.926 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1c(Cl)cccc1Cl 1772753510 MRGJFKSPRXKLKD-UHFFFAOYSA-N 566.279 6.489 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OCCc1ccccc1 1772755554 MAJQRZHNGGIFMD-UHFFFAOYSA-N 525.443 5.697 50 10 KKGE COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](c3ccc(C)c(Cc4ccc(-c5ccc(F)cc5)s4)c3)O[C@@H]3CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]32)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C 1848441140 FCDHOOFMYTXHLL-QODJWBHSSA-N 985.250 8.699 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665431 HQCIIKWOMRRRPN-FNOCPIAGSA-N 521.624 8.723 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688082 ITAKXDPIGTXDKV-NRFANRHFSA-N 561.839 5.761 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865691763 AHOJRLMFTBOKQQ-QFIPXVFZSA-N 531.495 6.050 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865694257 RUBOURDXSPZCET-SSEXGKCCSA-N 575.068 7.389 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865694369 XEFINSCJSOFAKP-AREMUKBSSA-N 522.605 5.541 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)ccc1OCc1ccccc1 1865694640 YEOOPDYFLXNYKF-HKBQPEDESA-N 570.649 6.744 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701598 ZDDOVGRJVCZRKG-AREMUKBSSA-N 547.442 6.547 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702574 BPFHMEYCBBPFMY-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704637 AOLNYDIEHAPSHZ-SANMLTNESA-N 524.552 5.079 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865711926 LOOAVQMMZPXJNW-JOCHJYFZSA-N 542.379 5.088 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3ccccc3Cl)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866664168 AHURJXIYCYNMMM-HHHXNRCGSA-N 589.073 5.711 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc(Br)c1OCc1ccccc1 1872729000 HOTKSMXRRKYUCR-GIJQJNRQSA-N 523.339 5.780 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccncc1 1873499383 SFKWHQBAFPGTRU-KCSSXMTESA-N 507.981 5.931 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915130849 QASBEZYWSQSUMP-GFCCVEGCSA-N 510.089 6.089 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Cl)cc2Br)c1Br 1922897863 QGLJQLZNIBPJHV-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)c(Cl)c2)c1Br 1922898675 XEYZPUIWLMRJDK-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922940256 KITMVWFASCQZMN-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923055329 RVWHSVKFVOZVBE-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923066344 OOWIGCBAEVLAMN-VIFPVBQESA-N 528.318 7.979 50 10 KKGE FC(F)(F)c1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923074615 PCGQOBCWBPUCIP-QMMMGPOBSA-N 513.398 7.430 50 10 KKGE Brc1cc([C@@H](Br)Cc2ccncc2Br)ccc1I 1924017744 XCPLRYUZBCOGCH-JTQLQIEISA-N 545.838 5.890 50 10 KKGE CC(C)(C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924570409 JFGWNAAHBAKOQZ-SCSAIBSYSA-N 537.859 7.450 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCc3ccccc32)c1Br 1924599682 KRVUIKYDRFCGEO-CMPLNLGQSA-N 543.944 7.592 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)sc2Br)c1Br 2083318706 RUYXFXKPVOOFMH-LLVKDONJSA-N 538.324 7.435 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Br)c2F)c1Br 2138851006 JADAVMVOQCJVOL-ZDUSSCGKSA-N 515.840 6.906 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C3(CCC3)C23CCC3)c1Br 2139148354 NODAGIVLVVEIPA-QMMMGPOBSA-N 533.949 7.442 50 10 KKGE C[C@H](Cl)CCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2189276841 IGQAEFWFFZNGFK-QMMMGPOBSA-N 533.433 5.347 50 10 KKGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(Br)cc1I 2207271731 KVUSJODDRSIWGB-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)c(Br)cc1F 2225616301 NWGOIQYSLKGPCQ-ZDUSSCGKSA-N 522.352 6.423 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(C)ccc1I 2241003100 ZKYKFESUHNDEOY-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277966114 QILHWCCWHGLMPW-AWEZNQCLSA-N 515.840 6.792 50 10 KKGE Brc1cc2sc([C@@H](Br)c3cccc(Br)c3Br)cc2s1 2278030581 SRLJGAXWWRUJON-ZDUSSCGKSA-N 545.941 7.735 50 10 KKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC(F)(F)C1 2278211577 PGBGDIOCXRYAJL-ZETCQYMHSA-N 503.428 6.424 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 2314433192 KYZPNNLLPVURBF-UHFFFAOYSA-N 558.666 6.095 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314447857 CGFWXOJGPAPIQY-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 2314486303 CCNGGCAUPIXVNJ-UHFFFAOYSA-N 523.618 5.133 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591696 BLRCSCAIWRDZJL-DEOSSOPVSA-N 552.483 6.766 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593828 UGEMBKWLQYEQDU-RBTNQOKQSA-N 525.674 6.122 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314611473 UYHFCXXBDSLNNW-JOCHJYFZSA-N 560.629 6.648 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 2314616691 HLIAZVHAVXNLLL-UHFFFAOYSA-N 619.747 5.671 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314619045 YYRXBMNGDJXMLI-QFIPXVFZSA-N 542.595 5.664 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc(OC)c1OC 2314634442 SUIDDUUPCVCXNZ-SANMLTNESA-N 518.953 5.203 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646980 XKEMWXLKHVDTSF-AREMUKBSSA-N 639.531 5.218 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)c(C)c1 2331310959 ZKVRMVZACMBFOY-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 2331324400 UUZYCJHSEAKKTK-VWLOTQADSA-N 521.598 5.827 50 10 KKGE BrCc1cc(Br)c(OCc2ncc(I)cn2)c(Br)c1 2353070580 HOGQHQFCOQQEJH-UHFFFAOYSA-N 562.825 5.080 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362230053 XBIQJEWQFGWIDT-NSHDSACASA-N 556.797 7.076 50 10 KKGE Cc1ccc([C@@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362238949 KGPYTPGIAINDDK-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Cl)c2C)cc1Br 2364438141 NVHAXELQPIIAKB-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)c(Br)nn1C 2365177018 VVHSDIKNJMLNOO-SECBINFHSA-N 554.277 6.246 50 10 KKGE CCCC(CBr)(CCC)COCc1ccc(I)c(Br)c1 2377636556 OZGLQBAOBRKFEQ-UHFFFAOYSA-N 518.071 6.552 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14038762 QQUZOOWTLRLNEO-SFHVURJKSA-N 511.416 5.233 50 10 KKGE Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)COc2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1 33355478 YAQKAGFCGGRWTO-UHFFFAOYSA-N 589.628 5.971 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)sc2c1CC[C@H](C)C2 33534931 PMCXHERXOMABNB-RAGBYUADSA-N 523.658 6.598 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650944 RVOONWVEUNACHF-HKBQPEDESA-N 518.569 5.640 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 38660185 AJTMQTGGEKFNJA-SSEXGKCCSA-N 528.605 5.639 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38701467 VOXYMMLEDQKABN-LJAQVGFWSA-N 522.601 7.056 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc(C(C)C)c2)ccc1OCc1c(Cl)cccc1Cl 40888736 LADCXKHCKLUBMF-IPPBACCNSA-N 501.410 6.234 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(Br)c1 40959236 KIVDVUYWFAIPSD-NDZAJKAJSA-N 523.471 6.635 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 40961539 ZJTJSQIUJFLCMN-ZEHKQSLBSA-N 529.464 6.796 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1COc1ccc(Br)cc1 96438598 OSFBWUNPXZBXAA-QNGOZBTKSA-N 513.391 6.736 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100081471 JWUGAFZFJACJNE-UHFFFAOYSA-N 591.734 5.103 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(NC(=O)CCCC)cc3)cc2)cc1 100103098 HBOFVFUECPIHKO-WXGDAXOSSA-N 568.678 5.472 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1 100238204 PZORYNYPCOWNJA-WYDFGVIMSA-N 588.442 5.241 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 100452398 LKDVRWCXMUZTOZ-VCZQPPJFSA-N 557.488 6.874 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100452436 AAZCIOBGTDJIFQ-ZSYYNXLFSA-N 586.324 6.483 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101333847 MSTVVQLTHCZKII-STBIYBPSSA-N 563.057 6.772 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 101375405 YWZMZVAOKSIYFK-YTTGMZPUSA-N 556.659 6.555 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381653 QOIMRHWZVAPTSJ-SSEXGKCCSA-N 549.539 5.376 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)c(OCC)c1 101389704 AIWMOYLVGUSZDD-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101394750 YOQRYGGMBQRFRS-NDEPHWFRSA-N 623.558 8.613 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)oc2c1 101396444 YSNKBXWXGXRXNJ-SSEXGKCCSA-N 536.628 7.220 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)oc2cc(Br)ccc12 101398163 BCNQYWUWCXQQFD-SSEXGKCCSA-N 607.460 7.520 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(C)cc1 101398981 BUUGFUZIGGVRGU-JGCGQSQUSA-N 586.600 6.126 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)c(OC)c3)c(C)c2c1 101399445 IWQWPXRUDKEOTJ-MGBGTMOVSA-N 604.634 7.468 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 102664393 BXMJTFIOMJGWAE-SSZFMOIBSA-N 525.424 6.372 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc(F)c1 103877793 RVMRPROMAJXEDN-FJEPWZHXSA-N 537.385 6.414 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 105420869 FJTUDYOIHXETRR-DFKUXCBWSA-N 600.579 6.534 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411395 RNWQYBPLUFQZSF-QSAVWGRNSA-N 701.204 6.688 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 150484618 MCIDLVMTSJXRNE-PMERELPUSA-N 631.523 7.909 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(Cl)cc1 150654212 PGVLYGRPDOFXMP-LSJKGLAVSA-N 645.975 7.237 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 159361874 IPFWSIXSHYWBAB-IBTHDSTKSA-N 699.226 5.045 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cc(Br)cc(Br)c1O 163305208 BLLCIZDMFXKHEI-LTGYVZTRSA-N 616.373 7.427 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 163801891 YYEUWQLDEGTUDF-WVKHYPTHSA-N 740.439 9.316 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205649757 GXTBPZYSAILNDQ-HPWHTHCCSA-N 510.590 5.838 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205650192 SRSMXIKLDFNKRA-ZCXASDFVSA-N 510.590 6.020 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1F 214259330 PCTDUWKNPXNUOL-HBAFHOPNSA-N 526.612 6.248 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Br)ccc1Br 236128399 UBWNNLGMEQYSTQ-LBPRGKRZSA-N 501.813 6.598 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OC(Cl)(Cl)O4)OCO3)c1 238791250 GGLVKXSBMWDVJN-UHFFFAOYSA-N 791.692 9.926 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253576048 VIUSIVMJIIAWQL-XMMPIXPASA-N 678.644 6.899 50 10 KKGE Cc1ccc(Cn2c(SCC(=O)NN=C/C(Br)=C/c3ccccc3)nc3ccccc32)cc1 254487719 IJXBRVSCQCEPDG-QQHANQPWSA-N 519.468 6.023 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nnc2-c2ccccc2)cc1 254757771 DJGXGPAZZOBIHO-UHFFFAOYSA-N 557.679 6.882 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1\C[C@H]3CC[C@@]1(C)[C@@]3(C)CBr)[C@H](Br)C2=O 256020035 SNRXUXZNCDKRMT-LISUIYSOSA-N 503.275 5.266 50 10 KKGE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616576154 FCXQCHWLXSOOJO-JMQGSBJISA-N 529.033 5.328 50 10 KKGE Cn1nccc1CC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238172 FFOFLLIBYMHLBB-HSZRJFAPSA-N 539.023 5.295 50 10 KKGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 1082753830 ORSJDKWQYINCNB-UHFFFAOYSA-N 535.167 5.073 50 10 KKGE CC(=O)O[C@@H]1[C@H](O[C@H]2[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC=C[C@H]2OC(C)=O)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083817566 POFJFIPDEIUPPA-QCCZZXHLSA-N 789.121 7.120 50 10 KKGE CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1083907559 GSEZRKSBHYNGLL-IZZDOVSWSA-N 613.020 6.147 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084034271 BRXSLMRZCCZIHC-UHFFFAOYSA-N 622.143 6.062 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1cccc2ccccc12 1084120463 LROPOAYOUDWBNU-UHFFFAOYSA-N 536.369 5.796 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 1084493573 VJJHUMTVRYDINV-SANMLTNESA-N 551.868 6.799 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(F)c1 1084556704 BOLLSWXFXFXVBR-UHFFFAOYSA-N 545.792 6.729 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720372 LYJIPBVTRBJZMJ-UHFFFAOYSA-N 591.620 5.919 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1C 1772746050 AAZNDQMXXZZNLC-UHFFFAOYSA-N 507.406 5.447 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772748445 QJCHIIJNJXEIGZ-UHFFFAOYSA-N 515.349 5.371 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684072 MKEOFVURAKFJNS-DEOSSOPVSA-N 527.422 5.896 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687716 YRLPKPAWYJADEU-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865696251 YREUIWMJAZQXCL-JOCHJYFZSA-N 512.532 5.672 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1OC 1865700953 IEZQUEHCLIWABA-QFIPXVFZSA-N 519.388 6.081 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cc(Br)ccc1F 1865702186 OZEZXFOJGGMIPQ-RUZDIDTESA-N 537.392 6.812 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865702905 HYACPRYRIBHZFD-XMMPIXPASA-N 550.968 6.709 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703568 BMUHYXCZANMZCH-HSZRJFAPSA-N 512.953 5.177 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1OCc1cccc(C)c1 1865704834 FSBMVFCTSUZXRH-PMERELPUSA-N 572.640 6.852 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865706919 IRCRYOXUWCQMMU-OAQYLSRUSA-N 539.806 6.432 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868457059 YDPUGPZXYXHIAV-UHFFFAOYSA-N 539.596 5.773 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)c3ccc(OC)c(C)c3)n2)c1 1868505890 MMVCOXGDNGZZQN-SANMLTNESA-N 551.672 6.638 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)n2)cc1 1868528026 NFECPXMTJCUHLO-LJAQVGFWSA-N 549.744 8.498 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872749702 DEEPRTRLYZZQDT-ATJXCDBQSA-N 516.579 5.984 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3cccc4[nH]ccc34)cc2)sc(C)c1C 1873496433 QZLSAWZIHBHFAM-UVPDUMAMSA-N 532.622 5.193 50 10 KKGE COc1ccc(CC[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923072827 SCAFNOUJMFRPSD-JTQLQIEISA-N 503.481 7.004 50 10 KKGE Fc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924599242 DQOCESGOBPPQSQ-ZETCQYMHSA-N 539.859 6.993 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 2016688275 RNEJHNZNDWOGEH-UHFFFAOYSA-N 554.778 6.840 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1 2042445943 IQYRTDGJCNRFPZ-UHFFFAOYSA-N 535.307 6.263 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4ccccc24)=C[CH-][CH-]C=3)c1 2078731333 KQOQLWLICNISQN-UHFFFAOYSA-N 734.904 9.474 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1scc2c1CCCC2 2130576267 NBEFCBBFUNICLU-SECBINFHSA-N 505.522 7.351 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCC2)c1Br 2135274963 ZSFRQCWZBSASCV-WCABBAIRSA-N 535.965 7.688 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCO1 2141470964 MMMOVALNQNLHRL-CGYDSVCVSA-N 584.766 6.988 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C2C[C@@H]3C1[C@@H]3C2 2141471185 OVESFDKRZIESBY-NTWGSFIASA-N 534.311 6.919 50 10 KKGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)ccc2Br)CO1 2179859189 ZKZOFVREVDTLPO-QGZVFWFLSA-N 517.283 5.102 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185506037 ASNZRWJLBCGRFU-OALUTQOASA-N 514.689 5.477 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(I)ccc2F)cc1Br 2198733718 ZBEGXZPNNCTVMV-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)cc1Br 2202348289 YTOBKMUQYGTSRD-AWEZNQCLSA-N 550.843 6.806 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)cc1Cl 2202351527 JIIPFVFBDJZSFI-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE Fc1cc(Cl)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206403000 WJSZLSOVAPGLHD-NSHDSACASA-N 615.154 8.013 50 10 KKGE Cc1cc(C)c([C@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2207271665 JSCGUKOVMPZSOU-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2267979830 NDSUPMXDINCXCD-CYBMUJFWSA-N 532.295 7.420 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cscc1OCc1ccccc1 2277882796 FYRPQWCIKGKJSH-LJQANCHMSA-N 516.682 7.544 50 10 KKGE O=C(NN=Cc1ccc(-c2cccc(Br)c2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293429999 QIOQGPCFRQLCIA-UHFFFAOYSA-N 558.388 5.359 50 10 KKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1cc(Br)sc1Br 2299499553 ZQBCIBZGVLGQJV-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2ccc(Cl)c(I)c2)s1 2300996875 APGZPLAMZNNZJG-SNVBAGLBSA-N 529.395 6.592 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1I 2303545621 UUUJLPAZVOSMFR-HNNXBMFYSA-N 567.059 5.154 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1 2313518985 JNAYOICNUBNAEE-UHFFFAOYSA-N 637.699 7.230 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 2313567226 DQHIAOODKWMXCC-UHFFFAOYSA-N 566.293 7.373 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)c(Cl)c1 2313630622 PJGJHGYVXGHKKY-UHFFFAOYSA-N 538.456 6.939 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NCc1ccccc1 2314478630 PZWHMJMSIDAAOG-UHFFFAOYSA-N 545.042 6.995 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2314532568 LGTLTZFAFUYTNL-UHFFFAOYSA-N 521.360 5.656 50 10 KKGE CCCCCCN1C(=O)C(=CNc2c(Br)cc([N+](=O)[O-])cc2Br)C(C)=C(C#N)C1=O 2314585579 GMJZOELWUBYSLR-UHFFFAOYSA-N 540.212 5.205 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314610167 DGLXOJPVBVPZNM-UHFFFAOYSA-N 542.639 6.429 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)C(C)=C(C#N)C2=O)cc1 2314617050 PVKAJGRBFJNJDS-UHFFFAOYSA-N 500.558 5.340 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 2314617506 ZLBVNTQSOFHAEM-UHFFFAOYSA-N 602.691 6.099 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 2314634478 WYJZCNWSUTUAJI-WJOKGBTCSA-N 524.617 6.266 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 2331345261 BEIFFMPPJYJJRB-QFIPXVFZSA-N 504.696 8.543 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c(C)c1 2331393037 HHIFQCCWRBECEX-UHFFFAOYSA-N 519.626 7.103 50 10 KKGE Cn1nc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337084409 LDXJPHCZKDABNK-VIFPVBQESA-N 540.250 5.984 50 10 KKGE CC1CCC(CI)(OCc2c(Br)cccc2Br)CC1 2340566074 MXDVXFXOHLKICG-UHFFFAOYSA-N 502.028 6.112 50 10 KKGE CC1CCC(CBr)(OCc2cc(I)ccc2Br)CC1 2341840551 ZUOCKJIAFYANFG-UHFFFAOYSA-N 502.028 5.914 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@H](Br)[C@@]23CCCC32CC2)c1 2364106001 GMUBIYZHGSASAV-LZWOXQAQSA-N 512.023 5.919 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)sc(C)c1C 2365188932 PRLHTTKRMQSLIB-LLVKDONJSA-N 549.923 7.584 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1I 2365193486 IOCZOZXSLRIVAO-CYBMUJFWSA-N 576.867 7.056 50 10 KKGE COc1c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)csc1Cl 2365196544 NGXPGNHSULRBJD-VIFPVBQESA-N 507.444 6.867 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCCC2 2369629688 OUOKXKIOTVDDEB-ZDUSSCGKSA-N 501.465 6.689 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@@H](CBr)c1ccccc1 2377312736 AWTXOCRZJKHCIL-INIZCTEOSA-N 509.023 5.622 50 10 KKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 10683216 SVOYUAKBWYZFGT-UWJYYQICSA-N 513.432 5.500 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 38700628 BFLXKEZPOQHMCC-XMMPIXPASA-N 517.006 6.781 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38700826 YDTACTPNALINAU-MUUNZHRXSA-N 522.601 6.974 50 10 KKGE COc1c(Br)cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Br 96563889 IYRFTBFWIPQFBG-HOULSAFJSA-N 508.254 5.772 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100147131 MHGWHSPURMMCFN-UHFFFAOYSA-N 574.747 6.145 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 100451696 DYUDAUAKPPDCEN-OADPBGPJSA-N 536.253 6.299 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065491 VHCKIHYDRCVRJT-ZEGMAUPVSA-N 538.417 5.942 50 10 KKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 101115800 LOEANONHGYQQJW-LGMDPLHJSA-N 520.467 5.368 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101338855 PIMRQEOEUBZNCR-PCLIKHOPSA-N 507.550 5.372 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101380922 OVQMNVBKMUOCEL-LJAQVGFWSA-N 605.449 7.548 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381063 HYFQHUCQBQOIRK-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381828 FENICHLGZCLHEQ-APYJYERMSA-N 546.623 6.419 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc(OC)c1OC 101382119 FIDXWKOSMBPFDA-WJOKGBTCSA-N 578.621 6.037 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383889 HPKVFUOXOLRTHW-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)oc2ccc(Br)cc12 101394356 FKLBQJUSJCJWQC-JOCHJYFZSA-N 570.226 7.248 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)CC1 101398866 ZWJOOWNLMPVDEF-IMLANLDWSA-N 554.662 7.525 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] 101467414 QMILQHIXDRAMKL-UHFFFAOYSA-N 553.406 5.421 50 10 KKGE CCCCn1c2ccccc2n2c(C(=O)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(-c3ccccc3)nc12 103188192 BNMMHXLTQDHLAT-UHFFFAOYSA-N 592.703 7.933 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806361 YAUGGNMNKCEREP-XJRXCUHMSA-N 611.661 5.137 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150414235 USZLRIATJVJMDS-FLFHKRBWSA-N 648.741 5.172 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc(C)c1Cl 150462539 AXDAVPRISRCIOO-HKBQPEDESA-N 635.931 8.045 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462730 VUJQDCBNCWHELW-NDEPHWFRSA-N 622.848 7.571 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 150482222 MKNSACHTRVLZLR-MHZLTWQESA-N 651.930 9.017 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(I)c2)cc1 164630564 YZVCOTNDTKIXMZ-JEPNHJGPSA-N 629.473 7.539 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1F 214296867 BWTYBMGJSRJNIZ-UQQQWYQISA-N 542.611 5.486 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 214340289 JNHCYPFIXVLWPE-DYACUJSXSA-N 556.666 7.072 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214383150 GZLORJSIUPHXQG-YUMHPJSZSA-N 506.602 6.074 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCCO2)c1cc(Br)sc1Br 236038042 PXHQMHFRWFFCHI-LBPRGKRZSA-N 503.437 6.135 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](O)[C@@H](O)[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 248136576 ACJHNDYFTFXEOF-AHMQKZFKSA-N 984.181 5.736 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 251391165 JWEOPRVXJUYGSP-KSCDKVHLSA-N 549.678 9.359 50 10 KKGE biogenic COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254746158 LINQGXHPYMNCGV-UHFFFAOYSA-N 540.572 5.031 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 504392064 RHVUWCOPIAXOFJ-MIKHJJJFSA-N 565.746 10.076 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)s1 688141853 ARPMJLLURTYWNM-GFCCVEGCSA-N 536.454 6.399 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C 936069132 XVKFSLZSLVBIPO-UWWBPQAHSA-N 530.910 8.734 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 1083918231 LJZXZHWWWFFWDO-UHFFFAOYSA-N 787.439 9.158 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1Cl 1084044284 XPUGRFFOZLUTNY-UHFFFAOYSA-N 559.791 5.233 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 1084137994 VUYNJZPOXGAVEV-QFIPXVFZSA-N 611.249 5.736 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1)S(=O)(=O)c1ccccc1 1084138062 YIQHNQMDZMAPRT-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)c1C#N 1084307185 XJDCJHUQACJGCJ-UHFFFAOYSA-N 650.473 5.283 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084443732 MQPMUEIMQHETFE-YBFXNURJSA-N 542.249 8.578 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 1084593430 VZXZNKSAWNIAAK-VWLOTQADSA-N 600.466 5.698 50 10 KKGE O=C(COc1ccc(Br)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752534 ZCPYOSVRMBASRJ-UHFFFAOYSA-N 577.660 5.311 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Br)c1 1772755275 YQZOMNZHQCDQNM-UHFFFAOYSA-N 582.545 6.793 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 1848355021 KIELDCCFMKNOOM-KDIZFGCHSA-N 968.182 6.765 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685085 FCXSBRAQDWGNFV-QFIPXVFZSA-N 542.253 7.430 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690602 WOWFJFJTXKALQP-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865691069 ILYLRGWMKGFGTQ-QFIPXVFZSA-N 537.458 5.984 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865691213 MRURSVZRDMUVKD-QFIPXVFZSA-N 527.394 5.157 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865691264 OAVJAAIRHCHAMI-HSZRJFAPSA-N 555.448 5.801 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865697160 OJFSLKBZXQWDCX-NRFANRHFSA-N 529.822 5.281 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705295 QQYHUYHXHQDUIR-SANMLTNESA-N 511.541 5.372 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc(Cl)c1O 1865707283 SKRGDBRGAUSAGI-QFIPXVFZSA-N 537.378 5.977 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129090 BJMOJQIFWCQULN-XDHOZWIPSA-N 509.425 6.517 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866664393 DKXPCERXCOWPAK-VWLOTQADSA-N 531.037 5.785 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)cc1 1868207573 OBZIZSLJGHWWHJ-UHFFFAOYSA-N 523.662 6.441 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CCS2)cc1 1868300808 IFBQTPIXJCACBT-SANMLTNESA-N 525.703 7.072 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CCCCC4)CC3)n2)cc1 1868320079 ALFUZNDRBTVFQW-UHFFFAOYSA-N 512.683 5.998 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@@H]3C2)n1 1868387871 AVZIJZWHJWGYCA-QHCPKHFHSA-N 533.101 6.080 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)c(C(C)(C)C)c1 1872751589 OHFJKVJKYYDENA-FLFQWRMESA-N 506.668 7.294 50 10 KKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)Cc1ccccc1 1882228112 IUWMPSFSPYOTJI-UHFFFAOYSA-N 509.263 5.735 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1sc(Br)cc1Br 1922947086 YMGILYJAUKLPEZ-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE Cl[C@H](c1csc(I)c1)c1c(Br)sc(Br)c1Br 1924579564 HGLAGGUGDOECPU-SSDOTTSWSA-N 577.326 7.030 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CCCCCC2)c1Br 1924583305 IJUCTTMWRIXVLY-SECBINFHSA-N 509.927 7.442 50 10 KKGE C[Si](C)(C)O[Si@@](C)(O[Si@](C)(O[Si@@](C)(O[Si](C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1 1933288833 FNZBSNUICNVAAM-OMLVWGSCSA-N 571.059 5.660 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@H](F)CBr)c1I 1951568386 UEWCLIJWIOCFCQ-ZCFIWIBFSA-N 695.874 6.253 50 10 KKGE Clc1sc([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2026220245 CQYKLZMUNGIWJI-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1ccccc1C 2053623062 CNAPXVDAGUIIEE-UHFFFAOYSA-N 556.375 6.262 50 10 KKGE CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CBr 2069468856 NOKXBAZLIQQFMG-UHFFFAOYSA-N 930.069 6.346 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Cl 2085494491 LYFUPCFVNBYMLV-WNBSSGNCSA-N 525.304 6.015 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648595 VVUBAMOWTBTMTK-GZMMTYOYSA-N 545.907 7.687 50 10 KKGE FC1(F)C[C@@H](n2c(CCl)nc3cc(I)ccc32)CN(Cc2ccccc2)C1 2184260743 OJWZBEVJFXXTDK-MRXNPFEDSA-N 501.746 5.462 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1Br 2206400845 SVWMZIYVTCIPHJ-OTPXZMOZSA-N 594.805 7.999 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@@H]32)c1Br 2224951258 VABSUENKWMRHQR-VFYMIVFZSA-N 537.937 6.677 50 10 KKGE C[C@@H](C(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2247466600 BQXRYXJINGDYHQ-NFNCENRGSA-N 564.682 7.074 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Cl)c1cc(I)ccc1Br 2279060836 XURNIQQKRPXTKU-CQSZACIVSA-N 506.392 6.697 50 10 KKGE COc1c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)csc1Cl 2284308839 IQVFHGQIDVLSRE-SNVBAGLBSA-N 588.768 7.788 50 10 KKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(F)c1Br 2295273892 DAKLBDKDANDFOO-NSHDSACASA-N 533.830 6.931 50 10 KKGE COc1c(C)cc(C)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2295359146 CZQQVDNCFOFVNH-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296506695 AESPXFCPZQPPLF-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE CC(C)Oc1c(Br)cc(Br)cc1C=C(C#N)c1nn(-c2ccccc2)c(N)c1C#N 2296649011 ZJAAUNFAZYFXSX-UHFFFAOYSA-N 527.220 5.703 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2scc(Br)c2Br)c1 2299500573 GZZNTMKIJVEIFL-INIZCTEOSA-N 595.976 8.099 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCCn3ccnc3)cc2)cc1 2314414680 ITTDVFHIWAARAD-UHFFFAOYSA-N 542.643 5.737 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(Br)ccc1Br 2314452417 NAVMJVFALHGGRL-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592704 ABDWNFULXMYUJB-VWLOTQADSA-N 550.511 6.859 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593823 UFVZOEZAQZXWQB-RUZDIDTESA-N 562.489 5.590 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594138 ZPFOOOYYNLDQPT-PIKZIKFNSA-N 525.674 5.951 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314619070 ZIEKYVIHRSTFJW-UHFFFAOYSA-N 575.463 5.329 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314619119 ZYKHNANRLAYJGL-UHFFFAOYSA-N 540.689 6.060 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314620140 KJPJPPFKCWVBQC-QHCPKHFHSA-N 584.676 6.015 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314620791 VFVBMQMPPGEWMN-UHFFFAOYSA-N 577.084 7.081 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(Br)c1 2314634032 FBEMAAJDRLTZAZ-XMMPIXPASA-N 507.771 5.939 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634851 VHRQYVJHIXSRHB-MUUNZHRXSA-N 500.982 6.356 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cnsc1Br 2315644758 SXGZJZAAWHJPHH-SSDOTTSWSA-N 526.820 6.193 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1cc(I)ccc1Cl)C(=O)OC(C)(C)C 2327242860 XHDMEUWTCFGXNI-GOSISDBHSA-N 546.671 5.872 50 10 KKGE CC(C)C[C@H](CBr)COc1c(Br)cc(Br)cc1Br 2328547996 VRSIGMNAJDLJCA-SECBINFHSA-N 507.886 6.410 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(C)c1C 2331361488 YDLVSKVDOOGZNT-UHFFFAOYSA-N 513.619 6.314 50 10 KKGE Cc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360427889 XMDXHDJFLCEVPB-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361175062 NPZCHEGHCOJBGF-NDXORKPFSA-N 514.279 5.679 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Cl)c1Br 2362249476 GZAOGKXYMKKABT-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1cc(I)ccc1Br 2365858829 WJNOLZFROGCETJ-CYBMUJFWSA-N 517.043 5.229 50 10 KKGE Clc1ccccc1[C@@H](CBr)OCc1ccc(I)c(Br)c1 2377596135 TTXPXIOUGFXKKQ-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE COc1ccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2cccc(Br)c2)cc1 3040209 HCJWNCIHARZAOS-QHCPKHFHSA-N 507.856 5.215 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 34705132 MUKZOJSVLQOFDV-FNBPXTNNSA-N 504.409 5.514 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1OC 38658993 AXESFACHDCTRQJ-MYUZEXMDSA-N 514.578 5.418 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815476 SWFQRWFGHGIXHP-YQCHCMBFSA-N 526.036 6.791 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cccc2ccccc12 59159260 RHRPWTUZHRUHBR-OLFWJLLRSA-N 502.343 5.422 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1 59304338 PUVXWCVHZLNVDJ-RWPZCVJISA-N 507.384 6.245 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1 100154399 HKYSHXRLVNCBMS-UHFFFAOYSA-N 504.077 5.853 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 100227789 JUUAJHIYEHMUBX-SLLOZXFSSA-N 592.861 5.886 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 100919910 PXJSPLZQKZZDSP-DTQAZKPQSA-N 548.627 5.688 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 101034403 OMTGKFHCCKVYLM-RGVLZGJSSA-N 570.026 6.660 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245541 AOGRJVGOWOGKDW-LVVXZCGBSA-N 550.511 7.490 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 101246370 LETXQGQMLBVEMF-IDJUBOEBSA-N 570.036 7.349 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCCC(C)C 101368514 CJYOBXHRIXPYOK-MHZLTWQESA-N 563.994 6.119 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380303 WQVQSISCYBLUJV-PIBJUREXSA-N 574.652 7.539 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380468 NKYCCMPDYCNSEF-PMERELPUSA-N 536.559 6.241 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2cc1Cl 101398540 FLTORVOCCYJFTG-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(OC)c1OC 102416491 VIKWNOHBXANLOS-QJOMJCCJSA-N 588.129 7.895 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1 103725157 CJBPETZWMZXXNU-RUMWWMSVSA-N 523.121 7.485 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 103742671 DNCHLNOAKYPPKO-WGHBEHPSSA-N 516.381 5.468 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742928 PYJOODPQRLDIHC-GUNDDFSMSA-N 532.463 6.131 50 10 KKGE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 103872014 GCSVZAZFLNLXPS-XODNFHPESA-N 563.304 7.672 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 103879411 VYMYYPOPDZXOMY-JEPNHJGPSA-N 554.477 8.102 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1 150431020 WXHYVJDYPQJEEE-POBUXNOSSA-N 714.338 5.846 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463040 NZXKTYQWTCWBAV-LJAQVGFWSA-N 663.966 8.886 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cccc([N+](=O)[O-])c4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 254742754 SKHFGGLUJKSTAS-MCQSSSDPSA-N 679.755 5.944 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254765925 RORQVBWFWNBQHK-UHFFFAOYSA-N 771.425 6.980 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1cccc(Br)c1 256028311 FALKAGGHXNBVNE-UHFFFAOYSA-N 662.429 6.950 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c(Cl)c1Cl 405110486 ZJXWBTRQDWQWAO-SNVBAGLBSA-N 542.707 8.310 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C)c2n1 616586217 OGNYMQIOONQNNQ-CEVVLASLSA-N 771.929 6.932 50 10 KKGE CSc1sc(SC)c(C=NNC(=O)Cc2c[nH]c3ccccc23)c1C=NNC(=O)Cc1c[nH]c2ccccc12 725274240 GCLILYRRGFFRPY-UHFFFAOYSA-N 574.757 5.540 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1c(Cl)cccc1Cl 1084023672 AOCYBKNLJQXEBO-UHFFFAOYSA-N 540.325 5.689 50 10 KKGE Cc1c(C(=O)O)cccc1-c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 1084095481 VVXZCYVQJGLHJQ-UHFFFAOYSA-N 503.558 6.483 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)cc1 1084110673 CZRJDPSCVZNWPO-NHFJDJAPSA-N 542.079 6.302 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 1084284339 IEHQKTHRKILRNW-UHFFFAOYSA-N 604.537 9.256 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084375681 PTLKFCGZOUKOKC-UHFFFAOYSA-N 537.084 8.128 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084387851 OSDHUENJSOTZFD-NLRVBDNBSA-N 576.524 6.955 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 1084444541 QKBVSKMKYLXIDQ-QHCPKHFHSA-N 590.312 6.153 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2F)cc1 1084501968 HYBBRIYFNXYOAY-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 1084560732 SXZBFRCPSPORRS-UHFFFAOYSA-N 611.935 5.140 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084651091 MGAGDFSUQDBCFV-MHZLTWQESA-N 596.478 6.027 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 1772751666 JDKFZACUTDJBHL-UHFFFAOYSA-N 529.593 5.620 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)ccc1O 1865681810 XMURJAMRJYKJFI-RUZDIDTESA-N 528.996 5.583 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684742 XDJXBWXYDFHDOW-HSZRJFAPSA-N 514.969 5.193 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)c1 1865690444 RNFYTHGBBGAWJR-RUZDIDTESA-N 512.997 5.877 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690453 RTPZENJZIGJQIR-SANMLTNESA-N 545.470 7.633 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865693260 TVHJZLGBESBMOK-SFHVURJKSA-N 564.362 5.454 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695534 PKSGFMFSLQJENU-MHZLTWQESA-N 529.015 6.474 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697004 MVZSNIAVABQVLI-GDLZYMKVSA-N 550.659 6.207 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cc(Br)ccc1O 1865697275 YYCCVWLPCYXWEM-QFIPXVFZSA-N 533.813 5.938 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698046 ITBLSZYYSGZCQO-HHHXNRCGSA-N 520.589 5.213 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 1865700774 DEAWXNUFKANDKV-AREMUKBSSA-N 567.860 6.947 50 10 KKGE CSCC[C@H](NC(=O)c1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867062097 CEGQFBNNDUXDRW-DEOSSOPVSA-N 500.649 5.898 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)n1 1868342524 VFQWJADTWHWAHY-UHFFFAOYSA-N 511.699 5.937 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)C[C@H]2c2ccccc21 1868364714 DRPBRYOPQMROCF-SANMLTNESA-N 532.673 6.141 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)CC2 1868365498 QOHJVMBBFIGOJQ-SSEXGKCCSA-N 537.689 7.237 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(F)c2)n1 1868389586 YDCIURTXRYYQML-WJOKGBTCSA-N 555.679 7.054 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868456624 SCNUDEMNDYBUEU-AREMUKBSSA-N 543.071 6.672 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(OC)c1 1872793605 JWDIBFZRCADMOW-YBFXNURJSA-N 523.441 7.777 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915295475 KQIHPGQEMPXHGL-SFHVURJKSA-N 509.691 5.713 50 10 KKGE Cl[C@H](c1cccc(I)c1)c1c(Br)sc(Br)c1Br 1924586451 YBDWFULIRJQDLO-SECBINFHSA-N 571.297 6.968 50 10 KKGE FC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924616379 OCKTXNIBQPCOHF-ZETCQYMHSA-N 503.359 6.976 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2001645551 CTQZFDPFRZLLGY-FSPLSTOPSA-N 509.883 6.041 50 10 KKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(C(=O)c2ccccc2)cc1 2042449573 IAMRACAWBZILTH-UHFFFAOYSA-N 518.573 5.527 50 10 KKGE FC1(F)C[C@]12C[C@@H]2[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470450 HELMXVKTKVJFMK-REAJZDTOSA-N 544.253 7.062 50 10 KKGE Cc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)ccc1I 2142115482 FWAAIHQNQIRSEM-CQSZACIVSA-N 512.048 6.785 50 10 KKGE Cn1ncc(Br)c1CC(CBr)(CBr)c1cccc(Br)c1 2143633881 KOHKLDZAFBPICH-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Cl)cc2Br)c1Br 2201078137 LWLRATFZZSIXJW-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 2206400662 RYHQUGMIFLCIGG-OUDXYJABSA-N 596.777 6.988 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206408281 ILPAEVXEBZGUGS-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(I)ccc1Br 2229150836 DOBNOSKVPPQSDW-ZDUSSCGKSA-N 579.295 7.148 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1C 2237629012 CSFLQGWQXCDSEK-ZDUSSCGKSA-N 528.047 6.151 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cccc(Br)c1Br 2277955693 LWKVWLNFVUUTKK-CYBMUJFWSA-N 532.295 7.259 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1cc(Br)ccc1I 2279048708 XUHXNLQFRZYBNJ-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(I)c(Br)c1 2288372652 AKISOSPAGACXMM-LBPRGKRZSA-N 601.248 7.185 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c(C)c1 2296042420 WIKZUQDOTRCLJH-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE CCCCN(CCCC)c1ccc(/C=C/c2ccc(C=CC3=C(C#N)C(=C(C#N)C#N)O[C@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 2296594998 SXFGKYGUYHUANQ-ANCQLATGSA-N 744.883 11.527 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1sc(Cl)cc1I 2300997529 IUBNYSRKTVWKHT-JTQLQIEISA-N 557.391 6.234 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)cc1 2313519005 NSGQSOZCPVYXKS-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N 2313568412 VUIICYVLFLTVQZ-UHFFFAOYSA-N 557.448 5.164 50 10 KKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2314482877 YGFBPAIAFNPYOL-UHFFFAOYSA-N 541.079 9.047 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1C 2314498406 UFVAZFOXUXDIMV-IBGZPJMESA-N 500.683 7.797 50 10 KKGE CCn1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2314502981 NTYRAHZXVONKLQ-GOSISDBHSA-N 529.070 6.491 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 2314531969 GCOOTHHWRHQSAW-UHFFFAOYSA-N 511.752 5.993 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)c1 2314532181 GXNMPTRJTQCYGM-UHFFFAOYSA-N 529.394 5.720 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592602 YKYOAZRWWFANDR-MHZLTWQESA-N 511.647 6.021 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593231 JXPQCVHSTUWRIO-SIBVEZHUSA-N 532.065 6.042 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593606 PWQMRHXURQBUGJ-WXTAPIANSA-N 550.511 6.859 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314616950 NOLBQLVAPMNVGJ-UHFFFAOYSA-N 534.660 6.417 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634758 GTPGSSHUSLFYEQ-WJOKGBTCSA-N 524.617 6.491 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)cc1 2314646563 CNLLVQWQMYRMKU-MUUNZHRXSA-N 632.742 5.390 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314646891 SXUQJUFSFJNSCH-JGCGQSQUSA-N 731.230 6.697 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)c1 2331246547 ZBPXNRUONQALMT-UHFFFAOYSA-N 517.610 7.278 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(Br)c1Br 2360481961 RXZUTZYSWSMOLS-NSHDSACASA-N 570.703 7.904 50 10 KKGE CCn1cc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2362222069 GTWPPRCLZUNHTJ-SNVBAGLBSA-N 509.826 6.311 50 10 KKGE COc1c(C)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 2362871703 CUHLJZNEEGKPTN-VIFPVBQESA-N 523.899 7.381 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)cc(Br)c2)c1 2366889521 NWRYYEFRHIRWHI-HNNXBMFYSA-N 501.871 7.587 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2Br)c(C(C)(C)C)c1 14661769 QNCJUDJPMKIAHB-UHFFFAOYSA-N 525.871 5.303 50 10 KKGE CCCCN1C(=O)N[C@@H](c2cccc(NC(=O)C(C)(C)CCl)c2)C(C(=O)OCC)=C1c1ccccc1 35710766 RKQBQAALYODXSM-QHCPKHFHSA-N 512.050 5.731 50 10 KKGE Cc1ccc2cccc(N/C=C(/C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c2n1 53319217 CVUUVTDSLXRYKW-ATVHPVEESA-N 515.392 6.512 50 10 KKGE COc1cccc(CN(C(=O)CCl)[C@H](C(=O)NC2CCC(C)CC2)c2ccc(OC(C)C)c(OC)c2)c1 97914778 QSKGQJVBAHFIHX-VKDLEMAVSA-N 531.093 5.495 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 97968657 RQZXUCJMHXWMLV-ARCUFYBBSA-N 573.299 7.470 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 100053759 DGMKNBOPQHGNGB-DHRITJCHSA-N 518.205 5.320 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212097 NZNAKQKOCDGXIT-UHFFFAOYSA-N 579.278 5.557 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 100227518 KTFYETPPXUMBRC-WYDFGVIMSA-N 572.443 5.541 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 101193612 ZITHLTVMQZMJOS-YRNVUSSQSA-N 519.228 7.837 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244949 WCFLYZGDXKBCOT-DBTLDAOKSA-N 536.484 6.929 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 101336430 XXAFNKMDHVRJMQ-STBIYBPSSA-N 543.627 5.824 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 101339683 KUASKTRZIVGOKA-CVKSISIWSA-N 558.594 5.378 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101341585 CGPGHZDOVHKPSZ-TWKHWXDSSA-N 610.711 5.445 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362640 ZMHPQJDDUNMTPU-DHUJRADRSA-N 564.641 7.221 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367571 PRUPIBYSYPABFO-YTTGMZPUSA-N 548.595 5.649 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381372 FHGCCGOQROPJQM-SSEXGKCCSA-N 591.878 7.592 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381818 PCUYXNSFROKFAR-MGBGTMOVSA-N 546.623 6.592 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(F)cc1 101387400 NXGLKBGSORWJED-LJAQVGFWSA-N 567.529 5.759 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)c1 101389108 YQTJWDJPGBZIPX-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1Cl 101391598 JPIMCZQSIRGXOC-DEOSSOPVSA-N 527.379 6.749 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(Br)ccc6c5C)ccc43)cc2)cc1 101397513 GGBOLVTYXBLXJG-HKBQPEDESA-N 621.487 7.829 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)cc1 101406030 TWXKEWMGXGHRKE-LOADRWAISA-N 618.715 5.081 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611833 KUWTYARMOKNDAJ-OCSSWDANSA-N 550.826 6.045 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccccc1Cl 102263094 NDPNUMATGXJIFU-YVLHZVERSA-N 521.322 7.145 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 109557059 JPPLMICYJUEATM-XLNRJJMWSA-N 552.637 6.034 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2cccs2)cc1 109557443 JMIMUASAIWXRDU-HKWRFOASSA-N 572.693 6.404 50 10 KKGE CCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920718 KPKQRYXDKNVKBO-LNHXWTKOSA-N 533.281 10.127 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)cc1Br 128735780 OXIOTGFUFWMTPK-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432803 XVBOWYHLERXZQT-VAUMOPGLSA-N 682.387 9.115 50 10 KKGE N#C/C(=C/Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216501078 LFWFLLKAGPMIGD-FVDSYPCUSA-N 505.666 5.430 50 10 KKGE C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 230063364 YQDQKLZJQQTFEU-LDEZNLMYSA-N 612.702 6.527 50 10 KKGE CCC(CC)N(CCBr)C(=O)c1cc(I)ccc1Br 232895824 RCNICURTPIOMGG-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254301793 GTSXANPTWXFHTI-UHFFFAOYSA-N 600.631 5.799 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1O)c1cc(Br)ccc1OCc1ccccc1 254347417 CQZJTDYEVSZPRS-UHFFFAOYSA-N 504.178 5.260 50 10 KKGE COc1ccc(C=NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 254414492 KGEBWCCLSBSSPZ-HHHXNRCGSA-N 563.521 6.303 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 254697878 ARHISEWMJIXCIA-UHFFFAOYSA-N 507.704 6.074 50 10 KKGE CCc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254721712 IJZNSOKIAVPELF-UHFFFAOYSA-N 527.694 6.045 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254840641 GYMGWOUWSSODMV-UHFFFAOYSA-N 579.745 6.825 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 264006263 VWNXEDLLHIFAOL-FDTUORRXSA-N 964.186 10.471 50 10 KKGE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 504705952 OFDIKJKJPJTORF-QPJCGHKLSA-N 705.251 11.282 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 616586172 OCVQSCAXMQHVCM-SPJCFULUSA-N 928.160 11.036 50 10 KKGE Cc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1O 616587445 QKYUXBKJSYFMGZ-YRJZKGMNSA-N 676.824 6.063 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccs1)C(=O)O 675032188 UDNMDSKTRSWGNM-PVEGLGLCSA-N 551.646 5.016 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)c2cc(Cl)ccc2OC)cc1OC 725389640 UBNSEUKBXWWRFW-UHFFFAOYSA-N 690.016 5.881 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 725433957 CVRIRVUWMPTBFS-XMMPIXPASA-N 545.861 6.044 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083816842 YUZLCBDCWPRCMA-CCFPIBHCSA-N 620.771 6.056 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1 1084246541 NEUDRPPOPOZSDQ-DEDYPNTBSA-N 542.260 7.609 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 1084309838 FKSDWUYIENSDRK-UHFFFAOYSA-N 500.683 7.281 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084650455 RSHGLTONQWVMCY-UHFFFAOYSA-N 627.116 7.616 50 10 KKGE O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCOP(=O)(OCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)OC(CCl)CCl 1615951724 WRYKKUPOXWLGID-UHFFFAOYSA-N 830.867 8.810 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1Cl 1772755269 YHJWSTAQUGXKEC-UHFFFAOYSA-N 637.408 7.709 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 1848665531 VOXJHJRLIGNTTG-BKLMLHMFSA-N 644.722 9.986 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685283 GKYHHIHBYWVSSA-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1865685918 OHSXTESWGOANGE-HNNXBMFYSA-N 517.697 6.268 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688996 GXLGHRACFRNZKX-JOCHJYFZSA-N 563.839 5.947 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865689227 MZLNSJDENKJTKO-LJQANCHMSA-N 504.896 5.560 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865689320 PKKHINKYBYFMLY-HSZRJFAPSA-N 520.511 6.060 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865691075 INNWQGKYNYSKSZ-QFIPXVFZSA-N 531.495 6.194 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc(Br)c1OC(C)C 1865696802 KYYOEOKFCCPGAG-JOCHJYFZSA-N 509.404 5.266 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696914 UFFFCNSQCACAHU-IBGZPJMESA-N 550.240 5.495 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1C 1865702973 JVMSSFXCHAJFRJ-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704567 YVRQLTJTKXMEBQ-MHZLTWQESA-N 577.468 6.556 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712252 UAIUCPHTACGRTR-MGBGTMOVSA-N 576.656 7.498 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 1872756923 HQHZCJZHYQLXEE-QXUWJFDOSA-N 501.608 5.758 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915076160 NPJFIDOBQRWDCO-AWEZNQCLSA-N 504.060 6.028 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915131231 UTKFKEGONOXOMZ-CYBMUJFWSA-N 506.609 5.761 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1c(Br)cccc1Br 1916388817 SQNMJHQQXZRFOA-AWEZNQCLSA-N 520.059 5.264 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923054434 FNFFZSMAFSXXHX-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(I)c1 1923066748 UMUSLKPCWUPCCK-QMMMGPOBSA-N 589.287 7.155 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924594958 ROGBWULOMWJYCX-VIFPVBQESA-N 542.287 7.265 50 10 KKGE FC(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924607868 ADTNQKWXPFRTIP-YFKPBYRVSA-N 503.826 6.517 50 10 KKGE Cl[C@@H](c1cc(I)sn1)c1c(Br)sc(Br)c1Br 1983286449 QCLXLHLAFGRUIP-LURJTMIESA-N 578.314 6.425 50 10 KKGE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccnc2ccc(OC)cc12 1987964663 AXFIWPFNGAOZKQ-KGNYWXMYSA-N 611.726 6.369 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC(Br)C2)c1Br 2025784087 SDEGCLGFZQFCHU-PACJAATDSA-N 619.609 7.346 50 10 KKGE Brc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)sc1Br 2033644210 YQPNPMGVEJOJDF-JTQLQIEISA-N 535.946 7.459 50 10 KKGE Cc1cc(C)c(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2138305188 NECHJGPVCWPMDX-NSHDSACASA-N 531.933 7.445 50 10 KKGE Cl[C@H](c1cccc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2141476894 IKMXPQQNOJLUCO-CYBMUJFWSA-N 597.164 7.827 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142287878 GZUDJWHGUOFWDL-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1c(I)cc(I)cc1I)C[C@H]2Br 2173615323 LGFSUDWOIKIHKX-IRTPTFBHSA-N 672.908 6.221 50 10 KKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCC[C@@H]2CS(=O)(=O)C3)c1Br 2201883050 QZQQPUCLGPMHAU-YDEJPDAXSA-N 507.107 5.232 50 10 KKGE CCOC1CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206405767 PSZQAWLCZAGASJ-OIAXGBPSSA-N 554.342 7.222 50 10 KKGE Fc1c(Br)cccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206410585 YYUIHYGUNCZYFC-GFCCVEGCSA-N 615.154 7.966 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2I)c(Br)c1 2207276407 WGQZLWUGWQNNIB-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE BrCc1cc(Br)c(OC[C@@H]2CC2(Br)Br)c(Br)c1 2213082004 FREFUGFFSSXMDM-ZETCQYMHSA-N 556.712 5.991 50 10 KKGE CC(C)(C)N1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2222473829 UEGXNDLUKZGTSG-RQJHMYQMSA-N 524.942 5.997 50 10 KKGE Cc1cc(C)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2225931853 OKOVZIBKFBYOPR-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2234076368 UROOVNUVRUWXEI-ZETCQYMHSA-N 550.314 5.849 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)cc(C)c1Br 2235684428 ZYLXPVAMPIQDDS-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1C 2237631740 NQPFFHMZUPHUMI-LBPRGKRZSA-N 631.247 8.506 50 10 KKGE FC1(F)CC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2299032614 LCEKYRAAZSTTDT-RFZPGFLSSA-N 517.853 6.907 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccccc1Cl 2314397441 NLRUYXOLRQMAJR-UHFFFAOYSA-N 582.676 5.982 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3ccc(C)cc3)c2)CC1 2314475848 DJLKTNLCMIMYQI-UHFFFAOYSA-N 623.735 5.357 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593672 QUEFMYLAIMHSJD-NDEPHWFRSA-N 509.675 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314610189 DRKDFBLEFZDBNF-UHFFFAOYSA-N 611.101 7.564 50 10 KKGE CCCCCOc1ccc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 2314616517 CMDOUJBTOMIFDL-UHFFFAOYSA-N 502.567 5.175 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618396 MUKGFEMVTSKQSO-SANMLTNESA-N 570.693 7.380 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 2314620175 LLZRZTPEMMOMEI-UHFFFAOYSA-N 512.993 6.110 50 10 KKGE COC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2)c2ccccc12 2314730567 FZKKASLEKRNRPH-UHFFFAOYSA-N 517.610 6.750 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C)cc4)csc3n2)cc1OC 2320488218 CKWJDTGYACCLFL-UHFFFAOYSA-N 508.625 5.022 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 2331238962 HJCWUMRHPPSVNQ-UHFFFAOYSA-N 510.531 5.741 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1OC 2331320613 KPOPNAZLKFJROV-LJQANCHMSA-N 507.587 5.159 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c(OCC)c1 2331389082 PSEFXDVURRDYRX-UHFFFAOYSA-N 505.640 6.391 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(Br)c1OC(C)C 2331488499 AQXYQAHLVBDDNO-UHFFFAOYSA-N 524.267 7.739 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2340062789 DIDTVLFYBGXYBV-CQSZACIVSA-N 516.398 6.200 50 10 KKGE CC1(C)CC[C@@H](CBr)N(Cc2ccc(I)c(Br)c2)C1 2349830364 BFNBGLYAJQDYOH-LBPRGKRZSA-N 501.044 5.439 50 10 KKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362235151 KPBVTOSNWHVOFL-ANLVUFKYSA-N 505.369 7.419 50 10 KKGE CCCc1sc(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2363253886 KWLDDPRYXXOFEK-CYBMUJFWSA-N 501.509 7.511 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1OC 2364116925 MCXHJKLAIZLVCU-SNVBAGLBSA-N 508.002 6.161 50 10 KKGE Brc1ccccc1[C@@H](CI)OCc1c(Br)cccc1Br 2366144433 FKTBCSKGSJZWDT-OAHLLOKOSA-N 574.876 6.667 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3o2)ccc1OCc1c(Cl)cccc1Cl 32519979 GHLSAWCTAIYBRR-PPDIBHTLSA-N 516.406 5.965 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684211 GTRYUEBQNGPBTM-GDLZYMKVSA-N 526.589 5.732 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 38686795 OFKFUKCSJXLDSP-PMERELPUSA-N 522.532 5.607 50 10 KKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])c2c1 39867310 TUZCRTIVQVRQSQ-UHFFFAOYSA-N 507.550 5.384 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813755 KUWDHACNFJPIFG-ZCTHSVRISA-N 507.377 6.166 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 40867234 JQDNEUSZCBRTTN-POKWAZPYSA-N 521.610 6.142 50 10 KKGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 100062005 JDZOSIWNSXUEOZ-UHFFFAOYSA-N 596.073 5.287 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 100919877 FZGBGBGRHIZTAR-ZXVVBBHZSA-N 573.674 8.180 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(Cl)cc1Cl 101135221 GGMHMLBDMYUGFN-UHFFFAOYSA-N 551.861 7.127 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101334129 XVOIHGNAZZGOQC-LDQYXZLGSA-N 522.649 6.355 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337594 IYDNMGAOVVPDRT-QZLJHNFXSA-N 532.575 6.040 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 101339447 YKUHWZYUKMLETP-OGLMXYFKSA-N 560.629 6.568 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 101369010 LETWCUNSNGPMLN-RUZDIDTESA-N 569.839 5.931 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 101369071 ZQUCWWMIUITJOQ-HHHXNRCGSA-N 549.421 5.784 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)c(C)c5)ccc43)c2)cc1 101382297 XKMWFANPNDWWQU-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384587 SUUMYCFFTXLFEN-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c1 101388683 JVWVVYOWAFWUAP-XIFFEERXSA-N 611.094 7.544 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1Cl 101391130 LAGGUAFWZNWYAY-DEOSSOPVSA-N 543.834 7.263 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c(OC)c1 101392210 JFSZHJDKPLIMIX-HSZRJFAPSA-N 527.360 5.457 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101397214 YHNKTSUYTACWQQ-WJOKGBTCSA-N 585.100 8.490 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399768 MSNWMCYOKSZJGI-MGBGTMOVSA-N 621.089 8.118 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccco3)N(c3ccc(Br)cc3)C2=O)cc1 103741797 YRTZIVDAMADWIA-SCIJIFGBSA-N 522.424 5.093 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103884492 QQOAAMBGTISVBW-KOEQRZSOSA-N 587.474 5.921 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c1 110513772 AIBZSEQXIXGQMP-LYBHJNIJSA-N 567.740 7.024 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 150451147 LATULERGBRVELH-HVZINUHCSA-N 675.815 5.549 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462288 WOKDMAQYWGVSLF-YTTGMZPUSA-N 641.507 8.381 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150471155 XBDBCBOWJRTYPG-VWLOTQADSA-N 629.949 8.486 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)cc(Cl)c6c5Cl)ccc43)c2)cc1 150483592 CRMCUNYPVQGCND-MUUNZHRXSA-N 647.967 9.186 50 10 KKGE C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1 195761275 DCWFTTYGOKYOOE-UHFFFAOYSA-N 780.895 10.205 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OC1CCC(n2c(Nc3nn(COCC[Si](C)(C)C)c4ccc(Br)cc34)nc3cc(C(=O)O)ccc32)CC1 203958062 ULRYPMKCJJWHRY-UHFFFAOYSA-N 714.854 9.408 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 205665222 UXGKEQYPHABODP-ITJTYRFCSA-N 514.581 6.411 50 10 KKGE C[C@H](Nc1cccc2ccccc12)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 251528039 DCJDHUXJJBUAJW-IBGZPJMESA-N 502.412 6.132 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1 252623037 OIQSZSJTICBYIT-UHFFFAOYSA-N 522.634 5.284 50 10 KKGE O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 254707943 OYSQWIHRCSQFJO-UHFFFAOYSA-N 533.550 6.426 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2Br)C1 382698457 ZAOSNEUWWMKKTK-ZWNOBZJWSA-N 545.053 5.597 50 10 KKGE COC(=O)[C@@H]1O[C@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 504374362 MDCOYASBAZJWKP-JGDIIAIBSA-N 935.155 9.826 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232531 YQVJBMURKHNOBB-MHTSJDOXSA-N 649.379 6.032 50 10 KKGE in-vitro C[C@H](Cl)c1nc2cc(F)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616250 JGQJZEXOVYWIAD-IBGZPJMESA-N 542.880 6.709 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)c(Br)s3)c2O1 720052754 OTTRYYIYVYLEPY-INWYIAFRSA-N 545.916 6.843 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN(C(=O)OCc2ccccc2)CC1)c1cccs1 725238826 QFSYMCAZLCWNGK-HKBQPEDESA-N 618.155 6.643 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccc(Cl)cc3Cl)n2-c2ccccc2)cc(OC)c1OC 725325548 OVLYWLQXJJJENS-UHFFFAOYSA-N 586.501 5.899 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 725398330 UQPZLMAIJICDAR-VWLOTQADSA-N 579.908 6.987 50 10 KKGE O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1cccc(C(F)(F)F)c1 1083888956 JSXWTQSUSXKLOF-UHFFFAOYSA-N 530.355 5.358 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Br)cc1 1083973136 AUVBSJGWUZRAII-UHFFFAOYSA-N 515.205 6.129 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084016793 MCYVNLAMLJUYKL-UHFFFAOYSA-N 562.667 5.286 50 10 KKGE CC(C)COc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 1084142516 IDODLUWRCDBEPN-UHFFFAOYSA-N 514.626 5.284 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1 1084147656 VSTUFEDLLVGMSH-UHFFFAOYSA-N 558.704 5.374 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1084219392 YCYNANRSGWJRPR-UHFFFAOYSA-N 526.601 6.392 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 1084281824 STDWDOWOPSJQOU-UDWIEESQSA-N 525.830 6.934 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccc(NC(C)=O)c3)cc2)c2ccc(C)cc2)cc1Br 1084369083 FHNFJDVNNJSAIN-UHFFFAOYSA-N 663.594 6.274 50 10 KKGE O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc(Cl)cc1Cl 1084436249 OOJXVHXARWRFNY-UHFFFAOYSA-N 517.210 5.479 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)CC(C)(C)c2ccccc2)c2cc(C)cc(C)c2)cc1OC 1084472244 UJBVIBRMBBSTLX-UHFFFAOYSA-N 551.709 5.376 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C)cc1 1084559359 YISNXFKKDLHCPU-VCHYOVAHSA-N 546.248 7.198 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084562048 LDLOKVGGDBMMNT-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Br)C(C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538094 RHVUWCOPIAXOFJ-JARAKHSJSA-N 565.746 10.076 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(C(F)(F)F)ccc2Br)[C@@H](CI)C1 1614694691 RBFVAVBCUQPENE-GWCFXTLKSA-N 534.154 5.853 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751075 GTJRNESSYIOGHO-UHFFFAOYSA-N 540.929 6.531 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 1772755042 IZRWFIMLHJWBBB-UHFFFAOYSA-N 637.408 7.709 50 10 KKGE [C-]#[N+][C@@H](c1cccc(OC)c1)c1cc(C)ccc1S(=O)(=O)c1ccc(C)cc1[C@H]([N+]#[C-])c1cccc(OC)c1 1857791026 UHFDVXQCKVGCDS-MEKGRNQZSA-N 536.653 7.171 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681784 WWYULAXZZQZMPG-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686753 ZSSSQPRAINXIIB-QFIPXVFZSA-N 521.379 6.271 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689074 JHPOERKKZWIRGR-JOCHJYFZSA-N 549.812 5.888 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865690763 AKVLWUOHEQNWDA-SFHVURJKSA-N 557.411 6.260 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865692043 HVABNNOVMGKIRX-XMMPIXPASA-N 551.485 5.889 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1OCC)C(C#N)=C(N)O2 1865693406 OBAFRPGXXMEHRW-OAQYLSRUSA-N 509.404 5.213 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865694082 UFQFNLMAEGGPJL-AREMUKBSSA-N 557.050 6.276 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696227 CTQGNAASPCEPFV-HKBQPEDESA-N 548.687 6.431 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865707110 NRMUFNQBSYJSOJ-HKBQPEDESA-N 572.112 7.496 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707289 SLTPNGCSOULWCO-LJAQVGFWSA-N 503.650 6.378 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712179 RMPLVSKGSNIBFG-SANMLTNESA-N 524.577 5.100 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866881805 SFYRNPVXMYFDIY-GDLZYMKVSA-N 590.661 6.282 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867046425 VUSJGEXWUCPESI-RUZDIDTESA-N 530.650 5.821 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867220450 OUGMFOZGPRFDOG-VSGBNLITSA-N 550.124 7.148 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(F)cc1 1872727443 BDSZVLVQDQQFJW-YBFXNURJSA-N 501.514 5.534 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)COc2ccc(C)cc2C(C)(C)C)n1 1872754116 CTZPOSBPTBLSRI-FXBPSFAMSA-N 503.451 7.603 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1 1872754617 AXLMORIZVCGOHP-BZZOAKBMSA-N 507.571 6.186 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872784109 CSWWKKDOPCZIDR-LICLKQGHSA-N 514.401 6.732 50 10 KKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613662 STRYNOGBOPBQTK-SHYZEUOFSA-N 509.927 7.154 50 10 KKGE O=C(c1cc(I)ccc1F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2003649889 OLKGJFCKSWGTDR-SFHVURJKSA-N 502.165 5.246 50 10 KKGE CCC(F)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780598 VEOQKYXHMWAZHI-VIFPVBQESA-N 520.231 7.062 50 10 KKGE Cc1nscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501256 XJXZMOTWMYTZMX-SECBINFHSA-N 583.763 6.986 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 2087331723 DGQVNJJVEZLOTO-HNNXBMFYSA-N 514.064 6.798 50 10 KKGE CC12CCC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CC1)CO2 2133547616 KESWFZPVUWLFRQ-ALXWSUNGSA-N 537.937 6.821 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141470262 FRGJACMEZRFKTM-JGVFFNPUSA-N 584.810 8.245 50 10 KKGE CCCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141473790 TVRVAHUPOKONOH-CYBMUJFWSA-N 582.794 8.143 50 10 KKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2169016403 ZVKKSUGFAPTGNZ-LJQANCHMSA-N 559.335 7.223 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@@H]2Oc1c(I)cc(I)cc1I 2173617970 FZVZKXHLSZQRCQ-UMXXFWPTSA-N 628.457 6.065 50 10 KKGE CC1(C)COc2c([C@@H](Br)c3cc(I)sn3)cc(Br)cc21 2176537662 JIGGKFSDGAUEQQ-GFCCVEGCSA-N 529.035 5.665 50 10 KKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(Cc1ccccc1)Cc1cccs1 2179853062 CFPUCRRUNCNSKZ-UHFFFAOYSA-N 505.286 6.341 50 10 KKGE FCCOc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2189517842 LUPCJINJQATCJU-LLVKDONJSA-N 507.444 6.712 50 10 KKGE Brc1ccccc1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395266 NGSLKLPABLVYQP-VIFPVBQESA-N 655.642 8.178 50 10 KKGE Brc1sc(C[C@@H](Br)CN2CCCC2)c(Br)c1Br 2216422627 WISHIZUUNKSGGL-SSDOTTSWSA-N 510.915 5.437 50 10 KKGE Brc1sc(C[C@H](Br)CC2CCCC2)c(Br)c1Br 2216422739 XFYITPVPUMAHBL-MRVPVSSYSA-N 509.927 6.922 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Cl)c1Cl 2224306327 BRTRGRQZBKWLSF-GOSISDBHSA-N 535.490 8.473 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1ccccc1I 2225632210 AJGAYXZYTDSNII-JTQLQIEISA-N 562.840 6.634 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2225887528 ZYMVRMMCQAVKTM-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227350885 YTMQLCBOTAMBHK-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE COC(=O)C12CC3C[C@@H](C1)C(N1C[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C(C)(C)C1=O)[C@@H](C3)C2 2295064050 ILXKDWKSNKSZLB-SXIMKOBXSA-N 573.850 5.416 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296545510 WUIFCOOAGDGFFU-UHFFFAOYSA-N 504.011 6.320 50 10 KKGE Clc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2299524167 AXAUMLBXYOGPLN-MRXNPFEDSA-N 507.074 7.881 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566789 AJBQBEIHBXRDIB-UHFFFAOYSA-N 571.302 6.591 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570695 DFFZQGOFFKMRKC-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2313571583 ZSYDCXLYXPSMIF-UHFFFAOYSA-N 563.466 8.006 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314456770 ZQIMSFPOUZDOTO-NRFANRHFSA-N 572.078 7.425 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2314501045 TVIQZLODMOONTC-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314503964 XXZAFGVICLPKKI-HXUWFJFHSA-N 576.041 7.256 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 2314571784 LYMNJGLCYRNIAL-UHFFFAOYSA-N 506.936 8.960 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591711 BRGQDXNTJYAWSI-VWLOTQADSA-N 552.483 6.766 50 10 KKGE CCOc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617857 BXKFCABRLCACLR-NRFANRHFSA-N 541.431 5.742 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643430 XYJXCZKHGISCQU-PGUFJCEWSA-N 621.133 8.062 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OCC)c1 2314770779 BTDQWDHHRZVBLY-UHFFFAOYSA-N 529.206 5.361 50 10 KKGE CC12CC(C1)[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927224 FKUWVCQLZKQWIE-OGPICLJWSA-N 523.910 6.287 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1 2331376358 ZWILQHPSTHHFIJ-UHFFFAOYSA-N 503.580 5.562 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCCN1CCOCC1 2331478291 GFXAJZXMFPERBS-UHFFFAOYSA-N 517.695 6.200 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)oc1Br 2339653204 HBJLFNZWKRVJBH-SNVBAGLBSA-N 519.828 6.807 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360491194 FQZOBZUMSBUQFK-LBPRGKRZSA-N 509.797 7.281 50 10 KKGE Fc1cccc(C(CBr)(CBr)Cc2sc(Cl)cc2Br)c1 2372287823 JXONCXXCDOMZQZ-UHFFFAOYSA-N 505.472 6.573 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 1790654 LOOQDFPMLDPKQA-QPQMVVSWSA-N 508.430 6.367 50 10 KKGE O=C(Cc1cccc2ccccc12)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665582 GFGYYUODLCZJNS-UHFFFAOYSA-N 503.396 5.228 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(F)cc2)cs1 35519508 QITRCEXAVVDTNT-CXUHLZMHSA-N 507.528 5.396 50 10 KKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 40823223 NYVHINBGZXGTSQ-IURWMYGYSA-N 507.406 5.447 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCCc5cccs5)c(C)c43)coc2c1C 40826807 BSXKFABJJUQWOY-JBASAIQMSA-N 503.624 5.384 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl 58892473 ILWLCFANBBVRKF-CHVMBPBASA-N 501.808 5.645 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 59680016 QVSDWDLMGOYCJD-QNKGDIEWSA-N 517.585 6.653 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 100233595 PHGSXJLBSVGENP-RQUFEXHESA-N 605.529 6.943 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1 100234083 UQBQGXZLJVFUTH-LIWTUZSWSA-N 601.616 6.065 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101334067 QUHQFQSAZAFHJG-NEIHUHTASA-N 500.986 5.592 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101370581 WLMHLFLVCRHVPF-XFNDTEKISA-N 551.426 6.628 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc(C)c1Cl 101380934 UOARFGTWGGXKLX-HKBQPEDESA-N 585.031 6.878 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381641 YRVZCERUTCBTIX-WJOKGBTCSA-N 534.568 5.477 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)c(C)c2cc1Cl 101394110 WLJRPNGOZAVIKN-DEOSSOPVSA-N 549.808 6.903 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)oc2ccc(Cl)cc12 101396417 FOUZUCKXVNVBIW-NDEPHWFRSA-N 543.019 7.257 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2cc1Cl 101398844 CYSNIOCNDYTAMH-WJOKGBTCSA-N 595.026 7.859 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(Cl)ccc5Cl)c(C)c43)coc2c1 101620286 HOSZYLCQARRLAQ-UZWMFBFFSA-N 538.431 6.909 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Br)cc1 101907054 RPKAHNZONFTGSJ-PXNMLYILSA-N 568.092 8.170 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 102458746 ZYKPEDOLLYIDER-CAPFRKAQSA-N 525.472 6.048 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)ccc1OC(C)C 102778978 IQCGNGHYOAQGKD-CWYPTGNGSA-N 545.076 5.215 50 10 KKGE O=C(CSCC(=O)Nc1ccccc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103727542 QQXLREPNBJWQMP-RIHQVDFKSA-N 534.641 5.015 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2ccccc2c1 103887889 OEUZBVWJXPOTLH-OYKKKHCWSA-N 574.418 6.886 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 105437219 HRDZOGCMAGLPMT-AJBULDERSA-N 531.637 6.765 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 107976937 JRFQJUUTBMJUDI-MOHJPFBDSA-N 544.636 6.990 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429088 IBWFQLXMPWHBKA-SSEXGKCCSA-N 657.575 8.932 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 150459278 JZGKOMDMDIWJHB-VWJSQJICSA-N 629.045 8.345 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 207116554 QAQYHEIKQCCPPV-SCYABJIZSA-N 510.590 5.716 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1 214233855 SPSQWFSLWQZBPO-DIBXZPPDSA-N 506.606 5.887 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 214259210 ORNFQVMQVQSMFX-CCPXZDFDSA-N 524.690 6.822 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214365281 HDXCXERMAIZSFE-QXPFVDMISA-N 568.677 7.043 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc3c(c2)CCCC3)c1 232484139 AGDAKWAFMCUYKR-KRWDZBQOSA-N 506.019 6.417 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 234841906 PSEYOTNRKXDFQT-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE Cc1oc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1Br 252626138 QXIHIUCHZQKENC-UHFFFAOYSA-N 578.794 5.368 50 10 KKGE CCc1ccc2c(Cl)c(C(=O)NN=C(C)c3cccc(NC(=O)c4ccccc4Cl)c3)sc2c1 252642053 ZJFKLEDCFVAPFS-UHFFFAOYSA-N 510.446 7.177 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1OCc1ccccc1 254364366 NEZNEAQOHSUSFX-UHFFFAOYSA-N 550.731 5.969 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc4ccccc34)n2-c2ccc(C)cc2)cc1 254381096 ILKCXTGTAXLIJE-UHFFFAOYSA-N 521.646 6.037 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254508536 QSCRWIJATNSDFC-UHFFFAOYSA-N 525.665 6.312 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@H]2Br 256019797 FKKFFJHEXDKKMS-VEIIVLAUSA-N 567.362 6.710 50 10 KKGE CCN(C[C@](C)(CI)OCc1cccc(Br)c1)C(=O)OC(C)(C)C 303741177 HXMFDOLLADCWJD-SFHVURJKSA-N 512.226 5.416 50 10 KKGE Brc1ccc([C@H](Br)c2sccc2I)c2ccccc12 382531310 WGBFCKZLRQDVNT-AWEZNQCLSA-N 508.016 6.753 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Cl)c(Br)s2)c1I 721672232 KRECXTMZWDSGIO-VIFPVBQESA-N 510.391 6.392 50 10 KKGE Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)c1 1084103782 LPRMQCGFEBLIGI-WOJGMQOQSA-N 516.222 7.189 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1C#N 1084236450 NPOJHGKSQXTJGK-UHFFFAOYSA-N 680.546 7.671 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NN=Cc1ccc(C=NNC(=O)COc2ccc3ccccc3c2Br)cc1 1084308641 GCSBSXZUCYKHKF-UHFFFAOYSA-N 688.376 6.576 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084507514 OMGFADWGYRGPMT-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1 1084528076 KSJKZPFWLVYAIA-CIAFOILYSA-N 538.385 6.041 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(Cl)cc2C)cc1 1084570934 FJXAEIKALYYRJJ-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1Cl 1772748130 NQYKCZUUNFKMHA-UHFFFAOYSA-N 504.801 6.579 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748391 WUFPNGIDYKISRF-UHFFFAOYSA-N 521.573 5.749 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865688548 UXDZKDUVQIABKR-HKBQPEDESA-N 554.650 7.044 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)c1 1865690218 LROHCLKINFLKCN-MUUNZHRXSA-N 514.585 6.318 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)c1 1865693478 JWLGWMYEHKPBOH-AREMUKBSSA-N 510.569 5.753 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865696956 LZHQHRBJTAYUCF-PMERELPUSA-N 542.639 7.098 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865697131 NVBPFGYSFATDKX-XMMPIXPASA-N 575.438 6.125 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865703461 VYXUAHBCXSOQGX-MHZLTWQESA-N 552.556 7.150 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867026387 KKPJENBIQOGSPW-HKBQPEDESA-N 581.713 7.108 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867213067 MEBOVWDSDBGNNE-JWQCQUIFSA-N 567.708 5.815 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1872751604 PCTDYNFACFTNLA-SGEDCAFJSA-N 510.659 7.731 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 1872758160 NRZCKLLQHDSWIH-XZHXWOGCSA-N 510.015 5.943 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1Cl 1873793112 XKLAMUOTJDEQEW-YJGSSNSBSA-N 504.027 5.317 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054247 CIGCGRPJUOKQIN-FSPLSTOPSA-N 501.487 5.330 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925601677 XGQSMRZYUGGDNS-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2sccc2I)c1Br 2024279275 LVMCGYLMPXMQBB-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(C)cc2Br)c(Br)s1 2039503783 SNPGCMCAECQDSH-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061009500 XMSCGAAHYUJGLL-JVZYCSMKSA-N 523.910 6.429 50 10 KKGE CN([C@H](c1ccc2ccccc2c1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@@](=O)C(C)(C)C 2080763127 KFGARSGGJZRQOI-CGROZPHXSA-N 667.855 9.513 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2ccc(Br)cc2Br)c1 2083331008 VEPDJROLDFOCIN-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]21 2190536843 JLECTUCXECHNFX-PNYFIKQUSA-N 513.701 6.818 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2203821795 BLPSJWDQQMJZFT-CQSZACIVSA-N 530.425 6.461 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(I)ccc1F 2218799172 SIWDUHCNDQAKNN-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE Cc1sc([C@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1C 2221834459 FAMIWVVTYNRRRH-VIFPVBQESA-N 537.962 7.507 50 10 KKGE C[C@H](C(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2247453754 BZFZKKCYVSOPGQ-ZQEGFCFDSA-N 520.231 6.918 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@H]1C[C@H]1Br 2256395467 ZHXRNCDOSHGCMF-IVZQSRNASA-N 538.394 5.917 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Cl)c1cc(Br)sc1Br 2295372583 JLJGBGVLQDMWFL-NSHDSACASA-N 523.899 7.334 50 10 KKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 2295998978 VUVZBWSZJVMJKM-HSZRJFAPSA-N 534.435 5.523 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl 2313568678 VXQOFICGRBNEJS-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)cc2)cc1 2314414790 MIQWJKXBUUDLFO-UHFFFAOYSA-N 524.649 8.101 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314611610 XZJSHWZLCBMPBI-UHFFFAOYSA-N 518.548 5.479 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314617043 PQLIBEULYFZSTR-UHFFFAOYSA-N 548.687 6.889 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314617954 DQFWSAPSQWHRBD-SANMLTNESA-N 536.632 5.406 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 2314646814 PKHODYRWMZQGCP-KRWDZBQOSA-N 583.449 5.179 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2317411042 QIFHSIQTCAZUPK-LAEOZQHASA-N 505.870 6.138 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1ccc(I)c(Br)c1 2325172486 IBGQVFAEAZDFEV-UHFFFAOYSA-N 552.914 6.419 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(Br)cc1 2331044429 HFDFKZOQGYREBP-UHFFFAOYSA-N 562.420 6.157 50 10 KKGE N#CC(=C(O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331312022 VVNDUPBOSPCYSI-UHFFFAOYSA-N 503.367 5.812 50 10 KKGE N#CC(=C(O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1)c1nc(-c2ccc(F)cc2)cs1 2331343791 SNBSKTSNUYLSET-UHFFFAOYSA-N 505.574 7.409 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1 2331346041 UJCCYYXEXRRYFO-UHFFFAOYSA-N 502.636 7.452 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2331463914 COGXYNMHLKMTAL-UHFFFAOYSA-N 511.594 6.188 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc(Cl)c1Cl 2339054374 SMKHFBZGNGGQNC-MRVPVSSYSA-N 572.769 8.135 50 10 KKGE Cc1c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)nn1C 2362253627 QCAHXAPLGKLLNW-JTQLQIEISA-N 509.826 6.137 50 10 KKGE COc1cc([C@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccc(Cl)c(Cl)c1 1102220 FIDZTXFDXXOGBB-DVECYGJZSA-N 523.445 5.738 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1ccc(-c2ccc(Br)cc2)o1 3087413 FQVVKVKYIBWZET-UHFFFAOYSA-N 512.201 6.318 50 10 KKGE COc1ccc(N2C(=O)[C@H](O[C@]3(C)C[C@@H]4[C@H](C[C@H]3Br)C4(C)C)[C@@H]2C#Cc2ccccc2)cc1 8439696 DQUSZKHWPBFKMI-WSZGMSMGSA-N 508.456 5.436 50 10 KKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981828 CTPVDPOQZONRHV-HXUWFJFHSA-N 504.508 7.108 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 13563576 GFUQBYFPLGYBAN-KVHSSYOWSA-N 512.393 6.197 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 14652997 KZRYNVFFELFOET-UHFFFAOYSA-N 518.235 5.411 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(C)cc1 15986017 AHWLJHOVUHACLK-UHFFFAOYSA-N 501.583 5.361 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38660159 CQAKLBOJRDGUAD-SSEXGKCCSA-N 528.605 5.694 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680724 KNTQTPNLFWSDBB-MHZLTWQESA-N 510.952 6.435 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1 38686778 HPCIDJPAQHITAG-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38700928 OGVFIXONZIKDGL-RUZDIDTESA-N 508.530 5.582 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccccc4)cs3)cc2)cc1 40924639 QEYBUPLTVJYMFA-OCSSWDANSA-N 515.704 6.929 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914934 RYYUPVJXTIEPIR-MHZLTWQESA-N 505.099 5.932 50 10 KKGE O=C(/C=C/c1cccc2ccccc12)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100062066 ZWFNIHNNLDJGBI-UKTHLTGXSA-N 554.238 5.758 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207503 BQBLIHWDDFSDPM-IBGZPJMESA-N 584.536 5.299 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 100235052 WCTZCDNIPVGOLD-HSMHNTNPSA-N 617.409 5.429 50 10 KKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)nc2ccccc21 100883583 YNVRGQZJQOYUCZ-PLRJNAJWSA-N 525.587 7.208 50 10 KKGE CCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)cc2)cc1Cl 100920360 INSHBHSINCYPDL-NCELDCMTSA-N 600.078 7.471 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241141 HIVOEEYOWJOVOW-MZOFLMDJSA-N 572.008 6.110 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241371 LVKQUEITSRYJDS-VWOOYDPRSA-N 536.484 6.353 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243886 CJBCLKCMISVRKW-FFPXFJIJSA-N 515.610 5.528 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101332791 HQWXIOGNDXIPQB-WGOQTCKBSA-N 508.622 5.885 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 101340717 NZDZWSBXFIMPHD-JVWAILMASA-N 533.031 6.602 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362499 SDKAIGMTDIZLKH-PRAQEBQASA-N 536.559 5.996 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381127 ABSGTQRIUPGZGE-PMERELPUSA-N 607.877 7.428 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383471 DDODHGHUBYDYQW-ULKXQASOSA-N 595.095 7.633 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385566 IELRZFBIQVNTHZ-PMERELPUSA-N 569.013 6.374 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388265 GFXRRUZHJOYYTM-CGKQSPDFSA-N 615.057 7.048 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101388984 PGGWXUXRSHROIA-XIFFEERXSA-N 596.611 6.015 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1Cl 101391039 CMVLLRVFYVEXJQ-QHCPKHFHSA-N 529.807 6.873 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 101727179 HFPCWQHUMPGIIM-AMVVHIIESA-N 616.990 7.446 50 10 KKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 102849700 UUYDTUYTSKAQLS-NKFKGCMQSA-N 574.641 5.262 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1cccc(C(F)(F)F)c1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102919187 GOPJQOVJFYPZAU-KEYHERLASA-N 598.613 7.963 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 103737935 QBRXPKHHVYHXMB-GKPLWNPISA-N 551.460 5.896 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1F 103887849 AJOVGYMXFFRPLN-ODLFYWEKSA-N 542.348 5.872 50 10 KKGE c1ccc(-c2nn(-c3ccccc3)/c(=N\CCSSCC/N=c3/sc(-c4ccccc4)nn3-c3ccccc3)s2)cc1 104958379 YUTCWEXHYQVNRR-FMWAKIAMSA-N 624.886 7.398 50 10 KKGE Cl[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 106048089 PCQHHGZMQLZGQM-VLGXOXMCSA-N 559.102 6.923 50 10 KKGE Brc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)cc1 109870220 IVPFSDDMCDQUEW-SNVBAGLBSA-N 503.879 6.714 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 150429100 LHJNEXNUQUYRNS-PCYMAAINSA-N 634.321 5.851 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433380 CUVSHMMKNOQBSW-PMERELPUSA-N 686.375 8.724 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150462482 XPZNQUSLKFTDFT-MUUNZHRXSA-N 681.956 9.026 50 10 KKGE COc1cccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)c1 150501551 HQDLXPQQEPEJBD-WKULSOCRSA-N 662.265 6.401 50 10 KKGE O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccc(SSc3ccc(N4C(=O)c5ccc(C(=O)Nc6ccccc6C(=O)O)cc5C4=O)cc3)cc1)C2=O 164239751 SBEQVNHFPPCMAS-UHFFFAOYSA-N 834.844 7.988 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205658224 CVVDRXDYABSPBU-RSVCVEGMSA-N 538.644 6.881 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205667899 SJLYHIVNLSIXQZ-AVYZXYBESA-N 600.715 7.717 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 214289953 YGBAIRZWRBEGIQ-IMRQLAEWSA-N 524.621 5.265 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214313199 HCWKBCJGFVUPJI-CAQPMQTCSA-N 595.634 6.445 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214325154 GBMWKTFVGPTESD-WPJWDDELSA-N 588.639 6.029 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc(Br)sc2Br)c1 232482905 MIJUVGDMEPOOPK-JTQLQIEISA-N 615.748 7.125 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2Br)cc1 252597191 CPCRKRYLEIMMSL-AREMUKBSSA-N 539.514 7.649 50 10 KKGE COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NN=Cc4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1 254404977 AWLYGXKMJFUCBH-LITSAYRRSA-N 607.633 6.520 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(OC)c1OC 254483295 BQKXJLIRWKWKEK-UHFFFAOYSA-N 540.692 5.252 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)/C(=C/c3ccc(OC)cc3)NC(=O)c3ccccc3)ccc21 254500637 FBAZQDPJFCVUCW-GEIAQZLHSA-N 516.601 5.744 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)COc2ccc(C)cc2)cc(OC)c1OC 254743839 LGNHAGBJSSGZGE-UHFFFAOYSA-N 636.293 5.294 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1Cl 256017584 UQFYSPCQUOWPQB-SFHVURJKSA-N 501.410 6.115 50 10 KKGE Cc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382704159 QYTBOFBONRZWRT-LPHOPBHVSA-N 514.201 5.545 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@H]3C[C@@H](Br)[C@@]2(Br)C1 504409781 ZKUCDSCKSARUCE-FKRRQNJJSA-N 826.968 15.850 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616588700 MHNHIGWCUNOEFZ-GRIKCTGOSA-N 578.822 7.136 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCOCCO3)cc1 642813998 LTVPTKJBJFMUOB-UHFFFAOYSA-N 624.657 6.658 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000317 JBHLEOSHZKKTQZ-BMXZUVLWSA-N 693.521 6.391 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc(N(C)C)c4)c3C)sc3c2CCCC3)cc1 1083976550 NREXYPWJSCJWJN-UHFFFAOYSA-N 553.732 6.425 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083995708 OQEMHFDKIGCAGT-UHFFFAOYSA-N 602.297 5.419 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1 1084051168 HNPIJGBWYDIECT-UHFFFAOYSA-N 593.190 6.282 50 10 KKGE CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OCC)nn2-c2ccc([N+](=O)[O-])cc2)s1 1084071454 OAGKMTLRDCWNDY-UHFFFAOYSA-N 802.898 7.615 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccc(Cl)cc2)c1C 1084120574 BOUOVYRKUPAGGB-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084169138 KJQGDBWAYODZLQ-DEOSSOPVSA-N 657.332 6.548 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 1084198017 RSZWUPATIFKOKA-LPYMAVHISA-N 505.412 6.589 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 1084240392 IUVXICBUOFEOIS-UHFFFAOYSA-N 667.538 5.599 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084477889 DCPXJEFXCPOBSV-UHFFFAOYSA-N 608.786 6.391 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084482288 FXTCTXQYXVOHJG-RGVLZGJSSA-N 535.394 6.010 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 1084492890 LAZWXPWFMQHOBQ-DNQXCXABSA-N 558.638 5.828 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084524407 OWTOSLKXHQPRBA-UHFFFAOYSA-N 561.635 5.149 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1084533730 OZPSVEHHKCQBMC-GRSHGNNSSA-N 548.824 6.058 50 10 KKGE COc1ccc(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c2ccccc12 1084616837 IENJPUYGYVIQKU-UHFFFAOYSA-N 542.227 6.056 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1 1084648224 MYTSJPFCPMEXLH-UHFFFAOYSA-N 555.421 7.790 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746134 QDXUKXBMIPIIQF-UHFFFAOYSA-N 534.878 5.891 50 10 KKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772747607 DOQJYSGEHWKMRI-UHFFFAOYSA-N 505.618 6.446 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(Oc5ccccc5)cc4)c(C)c32)c1 1772750126 USTXAYKVSFWREC-UHFFFAOYSA-N 509.562 6.112 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OCC 1865689793 WUBBMOYNQVPBFX-MHZLTWQESA-N 540.595 5.762 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865690871 CZACPBPIJSPZLL-VWLOTQADSA-N 551.485 6.188 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865695009 HRPZUNJKNMYFCQ-NDEPHWFRSA-N 561.469 6.661 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865696515 GSIBXQFWTBZLGV-SFHVURJKSA-N 567.337 5.477 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Br)c1OC(C)C 1865698511 VXHWTGLGIQUBRA-SFHVURJKSA-N 549.347 5.668 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703925 IURWBZKDQBRZKJ-NDEPHWFRSA-N 575.496 7.246 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705378 UHHODWJNMSYZQU-RUZDIDTESA-N 510.981 5.916 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711551 BEHOHIDSTFVDMB-VWLOTQADSA-N 517.416 6.539 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866656603 FEXTYHQODSDTRM-RUZDIDTESA-N 532.572 5.410 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Br)cc1 1866972411 ANBHAYJZINCVOJ-RPWUZVMVSA-N 522.468 6.258 50 10 KKGE Cc1nc(C(C)C)c(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1867154543 BEMFIXQDGSLOGD-NRFANRHFSA-N 510.710 5.819 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)nc(-c3ccccc3)n2)cc1 1868364742 FIWBYTGKXVOVGS-XMMPIXPASA-N 544.478 6.801 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872747495 GFYBTKHSIGFKTI-PWNVGIJBSA-N 505.821 6.885 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872793691 OFPXUKVTKSCYRQ-BUVRLJJBSA-N 503.668 6.527 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 1873920527 HWHYTCXOJSVENV-RWEWTDSWSA-N 507.571 5.873 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)Cc1cccc(Br)c1 1923065884 IMXQAEUQIHLRPN-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)[C@@H]1C 1924591535 SBIMOEMDCKHQCF-WOCMDNMUSA-N 525.926 6.531 50 10 KKGE Fc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924593336 DTIWAQWQZYAYIE-VIFPVBQESA-N 542.287 7.265 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924595414 YRTDXDPDOQHDKO-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3c(c2)COC3)c1Br 1924596955 VZLNTETWLWRYKC-JTQLQIEISA-N 531.889 6.550 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925583825 GDJZIRPMEPTROY-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1COCCO1 2085495437 KUYFMAJCDMMGFQ-WRWORJQWSA-N 528.260 5.432 50 10 KKGE BrC[C@H](Cc1c(Br)cccc1Br)c1ccc(Br)cc1 2094094593 DIFMTJYPBJRWRM-NSHDSACASA-N 511.877 6.695 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCOCC2)c1Br 2135275121 AVIDNNCGHPXXAQ-NQMVMOMDSA-N 537.937 6.534 50 10 KKGE Clc1cc(Br)c(OCc2cc(Br)ccc2Br)c(CBr)c1 2175142391 PQTZYGIZPFOBDH-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Cl)ccc2Br)c1Br 2201078882 PIEZTPBKADKPLG-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(Br)ccc2Br)cc1Br 2202904465 RYYIBCMTMXLYRW-CQSZACIVSA-N 531.839 6.606 50 10 KKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398161 RNJGDVJQTBRHMT-JOAULVNJSA-N 598.793 7.378 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2C[C@H]3CC[C@H](C2)C3)c1Br 2206400115 PNJBXTNXBOCDNI-UPFKWVMWSA-N 594.805 7.999 50 10 KKGE CC1(C)CCCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404961 CUIAKEYUAIYKIZ-RMLUDKJBSA-N 552.370 8.233 50 10 KKGE Fc1ccccc1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405326 IXVLGXBYOBSLIS-SNVBAGLBSA-N 550.285 7.398 50 10 KKGE Clc1cc2c(c([C@@H](Br)c3ccc(Br)cc3I)c1)OCC2 2207273153 RXDSTVXZGSHLCA-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)c(C)c1Br 2235605815 UWAFZAYCMWZYDH-HNNXBMFYSA-N 532.416 6.900 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Br)cc1I 2269555548 XFFJABNQGNCYTM-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1 2295945681 PDKCUGJUAWVQFS-UHFFFAOYSA-N 507.449 6.018 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3scc(-c4ccccc4)c3C(=O)OCC)o2)cc1 2297457925 PBDYKMLVUPKYBA-UHFFFAOYSA-N 540.597 6.574 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Cl)c(Cl)c1 2313730421 SVUKDKGGHOCQAQ-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592942 DTITZBXYNMIWCJ-HRFSGMKKSA-N 574.544 6.876 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314616925 MYOWUOHVVMTUSH-UHFFFAOYSA-N 544.680 6.752 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 2314646597 FEMPJJYNKBAVBI-GOSISDBHSA-N 583.449 5.179 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1cc(Br)c(OC)c(OC)c1 2314770622 NDQIEIZNENZZCL-UHFFFAOYSA-N 581.419 5.300 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(Cl)cc2I)c1C 2317776014 ZGRUFGBCSJFQOR-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123558 OOYJHEHCGTVENM-UHFFFAOYSA-N 504.608 5.780 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331430392 ORYHFHMMUZPMMU-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE BrCc1ccc(Br)cc1OCc1cc(I)ccc1Br 2341781670 XACAYUZBQXLJFV-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE Clc1cc(CBr)ccc1OCc1ccc(I)c(Br)c1 2349806790 ZYLGHAGVZXFVFF-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CCn1cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2362228555 OGZIYFASCAVEBX-JTQLQIEISA-N 509.826 6.311 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 12492719 YNYWNAFUUVPWAV-UHFFFAOYSA-N 502.236 5.674 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(C)C)c(OC)c1 38684257 VPHJTEQPTMEBCK-NDEPHWFRSA-N 514.578 5.566 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684717 QJTHMOJTKVBTDB-URAOTHONSA-N 526.633 6.265 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1 100062904 MRIMLORYUHAOEL-UHFFFAOYSA-N 542.463 6.163 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 100226306 MSEJZGIBUBSBIV-LJIZRPCSSA-N 541.475 6.664 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101293493 WDFJOFRJHPNNQG-JGCGQSQUSA-N 544.607 6.576 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 101340548 PQKDPPNBKZEEQZ-NDZAJKAJSA-N 560.629 6.650 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC(C)C)c(OC)c1 101374415 AMLZACOVTXWMIF-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101382291 JAKGTIUZWCZUNM-PMERELPUSA-N 601.486 7.717 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382598 AEKADFLQUVCERG-WJOKGBTCSA-N 565.069 7.654 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382952 JRJVMZFXOFAAIG-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383036 JFEDWQYIWCNXDW-MNAQKMTRSA-N 581.068 7.072 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101386988 JCSRUECZPDBPHD-SSEXGKCCSA-N 552.558 5.859 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101388646 ZKGDKVJTQSUPLC-UMSFTDKQSA-N 603.074 7.908 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101390201 XGVRFEXXBUBQIO-QFIPXVFZSA-N 523.397 6.654 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1OC 101392644 AUSAEUQUMLQUOH-XMMPIXPASA-N 561.388 5.958 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCC(C)C 101395556 WOLAOOMXXVJDRM-MUUNZHRXSA-N 603.469 6.985 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2C)c1[N+](=O)[O-] 101479293 OAYUHYJCXUHXNU-UHFFFAOYSA-N 512.699 7.343 50 10 KKGE CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 101646386 FZPJJSASSSNFHI-XHAORJAKSA-N 541.287 6.081 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OCC)c1 101761595 LGCQZDBGZHAMGS-CPNJWEJPSA-N 564.860 6.353 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665954 FPOFBWAIUZZUKR-FNBPXTNNSA-N 522.399 5.653 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 102942173 WZATVMBWFDNRRP-AYEUEKJESA-N 524.499 5.466 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 103795824 NRWSOQSUWYWUKS-SEBMTOOBSA-N 557.097 8.181 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 103877607 JBPYLJOTWMTXAI-UXHLAJHPSA-N 535.516 6.293 50 10 KKGE O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 103878188 GNLCASHHDQISMU-KKMKTNMSSA-N 572.209 5.999 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 103878603 HEQOYWMLHXEXAC-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 128265875 JPEMXTOZJQPGHR-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 150498690 RALFNFRAXZWCFU-AABVJFSESA-N 673.098 8.744 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1 164651763 GPZSCIBRVLJKDA-ZSNJKBEMSA-N 657.406 8.629 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@H](NC(=O)c4ccccc4)N(C)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 195813750 NYYLNLXPSZHDLV-VCMVPNEGSA-N 780.007 7.126 50 10 KKGE N[C@@H](CSSC[C@H](N)C(=O)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1)C(=O)N(c1ccc2ccccc2c1)c1ccc2ccccc2c1 199858672 BWUAPPCDSBVNTK-CXNSMIOJSA-N 742.970 10.365 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214231966 OVTCNUPYXLKPDP-HAHDFKILSA-N 525.565 5.239 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 214377763 JNNUYHBEGYOGOW-MIXAMLLLSA-N 542.639 6.347 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccc2ccccc2c1 253579071 ZDVPRUSWGTVSCS-JWHWKPFMSA-N 533.720 7.570 50 10 KKGE O=C(CC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)N=Nc1ccc(OC(=O)c2ccccc2)cc1 254594152 ZMGYQHZVHVJUCZ-UHFFFAOYSA-N 534.528 5.276 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1 254698033 JICDENIQVPJGBV-UHFFFAOYSA-N 551.709 5.780 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(C=NNC(=O)/C(=C\c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc1 254738964 PMXCKCPWIVRSAE-YAMSELQASA-N 588.664 5.301 50 10 KKGE O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)NN=Cc1cccc2ccccc12 254827005 RXTCETYOCQIQOF-UHFFFAOYSA-N 508.563 5.238 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254904209 AKFRDHMCTIWDAR-UHFFFAOYSA-N 567.637 6.502 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019118 MIUAZYCXOGJNJS-NPWTZWOPSA-N 882.946 8.902 50 10 KKGE Brc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)sc1Br 309980251 UMJRRNQUCLHFHW-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 312543439 IMPHHTRCRPZCKO-INIZCTEOSA-N 528.453 7.117 50 10 KKGE Fc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1Br 380345671 ZLLDESAJIGIATD-CQSZACIVSA-N 511.954 5.612 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 504065231 HJLUMXKBLFPFLT-UROCSKEKSA-N 936.301 7.359 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)s1 688142791 DHWVAAWZKKQOEX-LBPRGKRZSA-N 533.905 6.666 50 10 KKGE ClCc1nc2cccc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616335 JIMUENQOHHCSGZ-UHFFFAOYSA-N 510.863 6.009 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1083920304 LZMJVIBKEOESCN-MUUNZHRXSA-N 714.384 8.326 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)cc1 1083943307 MVRFJKVMBAKNCL-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1ccc(OCc2ccccc2)cc1 1083944834 DGMKNBOPQHGNGB-UHFFFAOYSA-N 518.205 5.320 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1cccc(Oc2ccccc2)c1)c1ccc(Oc2ccccc2)cc1 1083994042 FMRVBZWESFJQCD-UHFFFAOYSA-N 515.591 5.188 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 1083995778 RMPUSSXUVVYTHR-VWLOTQADSA-N 620.459 5.771 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084005662 WHYQFQAMKUMFFA-VXLYETTFSA-N 521.367 5.620 50 10 KKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc(Br)cc3)cc2)cc1 1084066259 LZVWSXSZOCUZQI-UHFFFAOYSA-N 668.367 5.572 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccc(Cl)cc2C)cc1 1084070702 BCOKYSAUKAVQCT-UHFFFAOYSA-N 534.863 5.065 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 1084086445 DJPOFTHBDPONAF-QHCPKHFHSA-N 511.416 5.309 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2ccccc2c1 1084206369 NZWRBXYYBWWCGU-TURZUDJPSA-N 643.525 6.678 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084311883 FZRUKQUQXANNTP-UHFFFAOYSA-N 543.645 5.010 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2ccccc2c1 1084327637 KRUHAGDMXLAFBQ-LPYMAVHISA-N 596.308 8.432 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084500040 MIPIQEPXRJEGBH-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3)cc2Br)cc1 1084504103 IBFDNEUIKLMNAQ-VWLOTQADSA-N 555.469 5.789 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1 1084647622 CINDOKCEPGATNP-UNOMPAQXSA-N 545.355 6.991 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4C)cc3[C@H]3C=CC[C@@H]32)cc1 1565518706 JCGLPCDWHRQOIB-HEWUYBSCSA-N 539.701 6.382 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743700 JLJBRYKTTNSQSG-UHFFFAOYSA-N 548.426 7.410 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748408 XAMTWMIZZJBCOW-UHFFFAOYSA-N 575.452 6.107 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccccc1 1772755397 FEOVXNKPPMISBF-UHFFFAOYSA-N 511.416 5.689 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 1772755591 NGVIGZIJLRHYMA-UHFFFAOYSA-N 546.509 7.059 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683376 KMASIQWUFXLTQK-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689852 XQOFNYODBQCSDE-DEOSSOPVSA-N 510.997 5.692 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865690389 QBMDEKFQPOTLKA-XMMPIXPASA-N 518.539 6.831 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865690569 VBQDJMYYQROQHW-SANMLTNESA-N 511.025 6.980 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865690989 GRQIOFYNZFLUJZ-QGZVFWFLSA-N 543.384 5.870 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OCC 1865691374 QGNSPDKNPLTVGS-HHHXNRCGSA-N 535.088 6.723 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694634 YCDCGWOVRCZPEO-IBGZPJMESA-N 523.342 6.264 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701311 RXKLTRWFBYRELZ-SANMLTNESA-N 527.024 6.419 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705482 WUBRIZLZJOEYKN-MUUNZHRXSA-N 577.015 6.828 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865709098 NNWQIQSWRADKCH-GDLZYMKVSA-N 578.673 5.188 50 10 KKGE COc1ccc(CCCC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866785099 JRTZUUFEHKMNSE-RUZDIDTESA-N 549.718 5.657 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccccn1 1867078611 SMFOQJSFFNIFEG-AREMUKBSSA-N 577.682 5.287 50 10 KKGE CC/C(=C\C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115071 UUQFIXWESVDAQO-DQJRMYJUSA-N 580.504 5.896 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@@H](CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867219573 LLMVANMRCQSDFI-FTJBHMTQSA-N 522.070 6.367 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H](c2ccc(F)cc2)O1 1868413569 AXANWIOXGASONQ-BVZFJXPGSA-N 532.044 7.219 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1Cl 1872755700 APIPZOFVENOFQZ-AQTBWJFISA-N 507.311 6.200 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(C)cc1 1872781573 JWRBGILLAZUVBJ-CIAFOILYSA-N 521.469 8.467 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1OC 1872784517 QZDDJJAPXJDQKY-VIZOYTHASA-N 520.246 6.807 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc(Br)s2)c1 1899856263 GOLBFBJODSDYHY-GOSISDBHSA-N 517.080 7.336 50 10 KKGE Brc1cc([C@@H](Br)c2cc(I)sn2)c(Br)s1 1909888677 GNHGCLOLNHLVGC-SSDOTTSWSA-N 543.869 5.819 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2cc(I)sn2)s1 1909889734 UKSMCXYIROONMD-SSDOTTSWSA-N 543.869 5.819 50 10 KKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311633 GXBIRTHVOIWBIE-SFHVURJKSA-N 505.172 6.284 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922882986 BMLDWAXICSTWGI-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2nn(C)cc2Br)c1Br 1922906154 HADZRWKGXHSLIM-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(F)cc1Cl 1923071152 HBECWGCATMAELF-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE C[C@H](C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924567996 AEQOLZHLFVIGED-MUWHJKNJSA-N 509.927 7.298 50 10 KKGE CCC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924590017 GTEIVRDLKFVISR-SFVIPPHHSA-N 523.954 7.688 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924600372 QOXGEBSOGZPFOR-MRVPVSSYSA-N 543.822 6.937 50 10 KKGE CC(C)c1ccccc1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3S2)nc2ccccc2c1=O 2042440150 BDGDKOYFQINLGK-UHFFFAOYSA-N 510.644 6.123 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2[C@@H]3CCCCC[C@@H]23)c1Br 2048338448 VHWWRKZLKBLGMR-BRDIYROLSA-N 521.938 7.298 50 10 KKGE CC(C)C(F)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500799 RMLJGZPUZFULGD-SNVBAGLBSA-N 578.709 7.464 50 10 KKGE Brc1ccc([C@H](Br)Cc2ncccc2Br)c(I)c1 2086148494 AZOISEBZQCFSJE-LLVKDONJSA-N 545.838 5.890 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccccc1I 2138241985 HSPXQVWKCZSYHA-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2141469954 XXYPVSZMEOOSFT-RBEJAIPDSA-N 583.782 6.561 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCC1 2141478039 VSYPSYMFJBUMKG-CYBMUJFWSA-N 538.343 7.987 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)sc3Br)cc(Br)c2O1 2146630555 YBYJOFBIGLTMGB-INWYIAFRSA-N 545.916 6.843 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(CCBr)Cc1cccs1 2171091338 YDGVVUANDNTMNI-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2Oc1c(I)cc(I)cc1I 2173615321 LGFSUDWOIKIHKX-AXTGTSHSSA-N 672.908 6.221 50 10 KKGE CC1(C)OCCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394535 HTCKKAMYMXCUTR-FUXBKTLASA-N 554.342 7.222 50 10 KKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397786 MVFRSYXDQLAOHJ-LIEZGIJOSA-N 560.252 6.298 50 10 KKGE COc1ccccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398575 WKCZNYSTCFQQMB-GFCCVEGCSA-N 592.745 7.230 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)c(Br)s2)c1 2217424256 VGZVOYTTXHBXAA-NSHDSACASA-N 506.428 6.514 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2nscc2Br)c(Cl)c1Cl 2217610116 GCQIONDOBPJVGB-ZETCQYMHSA-N 515.279 7.113 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2234066897 NASQBPWNASHMLL-UHFFFAOYSA-N 512.673 6.439 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2264609614 MXEHRPLLGORBMQ-SNVBAGLBSA-N 509.872 7.073 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(I)c(Br)c1 2277967236 ZDWKZQOBSICCCV-ZDUSSCGKSA-N 579.295 7.101 50 10 KKGE COc1ccnc(Oc2c(I)cc(Cl)cc2I)c1CBr 2281110590 QCXQKKXDZVMIRT-UHFFFAOYSA-N 580.385 5.640 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Br 2283569077 VHQHSVDGYLVKCV-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)ccc1I 2288495820 ZFYYKANGSFCNGL-NSHDSACASA-N 645.699 7.341 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2295370135 LZQHBOBOQBGODY-CYBMUJFWSA-N 550.843 6.853 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2295483010 QTHQWKVSHJXBPR-UHFFFAOYSA-N 598.011 5.218 50 10 KKGE CC(=CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1 2296650682 CKRDTJUNODZHSU-UHFFFAOYSA-N 638.274 6.335 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2sc(Cl)cc2I)c1 2300954442 XRPPHNWCGFVHJI-JTQLQIEISA-N 573.846 6.748 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1F 2313570611 BCUORKMYHKWZOM-UHFFFAOYSA-N 505.760 6.919 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CCCC2 2314486564 DMNQOWSJUIHYMA-UHFFFAOYSA-N 552.656 6.211 50 10 KKGE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 2314490277 WLQIAWFGDWRQGH-UHFFFAOYSA-N 553.131 5.227 50 10 KKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314531522 BYKSEOKMIBWOGK-UHFFFAOYSA-N 520.467 5.368 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1C 2314532511 JVARAEOYAYTYGW-UHFFFAOYSA-N 529.394 5.720 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592517 WCFLYZGDXKBCOT-RUZDIDTESA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314616435 AKOYCUPXCVEOQA-UHFFFAOYSA-N 517.412 6.407 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314617441 YLMZCPVTPFRMHC-UHFFFAOYSA-N 558.594 5.459 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646763 NAOYFRMDSKBXPH-GOSISDBHSA-N 553.423 5.170 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OCC)cc3)c3ccccc3)n2)cc1 2331256060 RQAUNEPFLZPFDI-UHFFFAOYSA-N 506.671 8.585 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331350939 FNSIKBSYYIHWEM-UHFFFAOYSA-N 517.478 8.075 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1Cl 2331381096 IOECMUQHLDLOCE-UHFFFAOYSA-N 503.920 5.356 50 10 KKGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333240174 ZDMMWLUQPVUZQI-LQFQNGICSA-N 781.819 6.118 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 2340799467 UCEZSFYSHVTIIR-QMMMGPOBSA-N 576.732 7.966 50 10 KKGE COc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 2364262238 ZDHFVENUONUKGP-SECBINFHSA-N 568.350 7.329 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC(=O)N(c1ccccc1)c1ccccc1 2775955 YERSVRBNIDOPBT-JJIBRWJFSA-N 596.481 7.056 50 10 KKGE CCc1ccccc1NC(=O)C(C#N)=C(SCc1c(F)cccc1Cl)SCc1c(F)cccc1Cl 3059051 SBFPCXNYLZDYHX-UHFFFAOYSA-N 549.495 8.374 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C(SCc1c(F)cccc1Cl)SCc1c(F)cccc1Cl 3059087 POEPRBNLURGGJR-UHFFFAOYSA-N 549.495 7.532 50 10 KKGE COC(=O)c1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 6879028 OAAKXHHMSMHGRT-TXNBCWFRSA-N 500.618 5.983 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14645648 UWJRNWSMNCZQHD-CYBMUJFWSA-N 518.235 5.409 50 10 KKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 20072571 DEKHXVPIYZPGSR-XMPOVOTPSA-N 506.606 5.226 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccccc3)nc12 39858503 LMPLHZMBKDXBCO-LGMDPLHJSA-N 501.340 5.103 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812473 PRFATMZYMZCQJR-INKHBPHZSA-N 507.521 5.955 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3cccc4ccccc34)cc2)cc1 100082170 OSMWHMQGLSUIPZ-UHFFFAOYSA-N 554.672 5.104 50 10 KKGE O=C(/C=C/c1ccccc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100096646 ZRGZDIRNJVTZEF-UXBLZVDNSA-N 538.623 5.258 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 100238973 MXLOTPKJNOQLFW-KIZAIXKYSA-N 531.487 5.769 50 10 KKGE COC(=O)c1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100848521 RHVWKQBOHHILIJ-JEBQAFNWSA-N 538.074 5.098 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244932 PSXWXLBFBZCKSM-IDJUBOEBSA-N 502.039 6.276 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101307577 HFLXHRJJAGLZJV-VWLOTQADSA-N 579.461 7.219 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101340442 DFGGHSGKSOQYHL-OCSSWDANSA-N 560.629 6.506 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 101368954 YWBHEXXJEAJQMV-BSEYFRJRSA-N 539.357 5.188 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101375476 DGHBUHFELKJZQU-PGUFJCEWSA-N 576.693 7.564 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379288 FLGDPOFKHYWIFX-HKBQPEDESA-N 567.041 7.145 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385924 QISVLJDTHYKFEX-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101387306 QUPVSNQZNUTIFR-GDLZYMKVSA-N 540.522 5.990 50 10 KKGE Cc1cc(C)cc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 101647236 RRCGYWUKNXLHKA-OLFWJLLRSA-N 526.818 5.165 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCCc1ccccc1 101712944 IZQRXYVWHXSBLX-JFLMPSFJSA-N 562.258 5.371 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)cc(Br)c1OCc1ccccc1 101713639 QHZZXQODVKGXQK-KKMKTNMSSA-N 538.225 5.873 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 101831853 FORVLOGWTIVXHB-MDWZMJQESA-N 594.662 5.712 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c12 102084724 ZNCVFVWEVCKRNT-MHZLTWQESA-N 549.094 5.870 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc(C)c1C 103768434 WGOLLPNMKKFMTC-ZROIWOOFSA-N 522.932 7.020 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 103796563 OQIZBXQDJHWJMY-IPBVOBEMSA-N 602.235 6.038 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(I)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 103882766 NPGJZPVRXGHOIR-PTGBLXJZSA-N 549.412 5.126 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 105421554 XEDBVLSZKQOQIO-UXHLAJHPSA-N 579.472 5.868 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)cc2)cc1 105436820 JONFZDPZQOOKRB-AJBULDERSA-N 531.637 6.765 50 10 KKGE Cc1ccc(C(=O)N/C(C(=O)Nc2ccccc2)=C(\Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 108552713 ILGITCBKJBQQLF-ULIFNZDWSA-O 576.056 6.766 50 10 KKGE O=CN/C(=C(/Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 109199960 HTAVGEYOPIKENI-CYYJNZCTSA-O 509.418 6.538 50 10 KKGE CN(C)CCOc1ccc([C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H](CCCl)c2ccccc2)cc1 110342040 PTYHAUDPISYCIX-LQJZCPKCSA-N 514.109 7.751 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 150462709 GCCIFUPPMCBJJZ-LEWMOKLLSA-N 630.726 5.329 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 163672193 CUVCIZUYJRRQJD-UHBFCERESA-N 632.383 5.501 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 164012860 KREYLMGAUIBOJF-XZYGTATASA-N 685.187 7.261 50 10 KKGE CC[C@@H](C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 169682105 MYLPOKATQGVMSF-FLZUPPKHSA-N 644.617 10.347 50 10 KKGE C[C@@H](O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754047 KFUWLVZCEDFJIK-QZJJSEBMSA-N 553.065 9.080 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205658096 MLLJOHOUUSDGKZ-KUPBCKNRSA-N 552.671 7.190 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214279466 LWZFGTZSURNBRZ-UCMJSZAQSA-N 594.646 7.050 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(Br)c1 234994112 FKILCEGKTWEDHF-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 254402634 HQZFZBMOZALTBI-UHFFFAOYSA-N 530.628 6.671 50 10 KKGE Cn1cnnc1SCc1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 254741133 SQIQLLNGXWYYGP-UHFFFAOYSA-N 563.683 6.029 50 10 KKGE CC(=NNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 254872068 PHDSYADKPRBNFH-FAVMAGOISA-N 582.701 6.112 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccccc1 254877463 BUSNKOGFWJDORM-UHFFFAOYSA-N 538.629 5.171 50 10 KKGE CCCCCCCCOc1c2cc(CCl)cc1Cc1cc(CCl)cc(c1OCCC)Cc1cc(CCl)cc(c1OCCCCCCCC)Cc1cc(CCl)cc(c1OCCC)C2 409421837 BKDNDEFUNRJDQE-UHFFFAOYSA-N 926.978 16.375 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)ccc2C)c2ccccc2[C@H](C)[C@@H]2CCC[C@@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 642771943 UQIJHRAONIAHRK-QYTDKMJASA-N 654.859 10.317 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](c3cn(C)c(=O)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642887215 ZDZLHJPETUXZJT-ISLRYQSRSA-N 875.089 9.003 50 10 KKGE Brc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1I 721589380 SXVLILYEPWTDSH-AWEZNQCLSA-N 619.860 6.078 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(Cl)c(Cl)c1Cl 721617280 WZIZEPLELXLBQB-JTQLQIEISA-N 589.707 8.152 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 725429413 MYLURGGHORNFOF-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CSc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 725444614 CIHTXKVQDTVBCE-UHFFFAOYSA-N 502.061 5.024 50 10 KKGE CCCCCC/C=C\CCCCC[C@@H](CC(=O)O[C@@H](CC(=O)OC(c1ccccc1)c1ccccc1)C[N+](C)(C)C)O[Si](C)(C)C(C)(C)C 888085853 XPHCEWQGXCYRHU-SHLIYXQKSA-N 695.094 10.585 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Cl)c2)c2cc(Cl)cc(Cl)c2)cc1 1083959352 DXJNYHBEPYUTOK-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083969256 QFNHUCZEZWJGAN-UHFFFAOYSA-N 514.047 5.059 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 1084091505 VRJBKEQUJNEFLL-MUUNZHRXSA-N 551.470 7.088 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)cc2)cc1 1084092940 KPVJSVBMJXTNTB-UHFFFAOYSA-N 505.618 6.579 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084119690 TWAYHMMDUNHEKI-HYARGMPZSA-N 570.904 6.880 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccccc1Cl 1084128516 PQZHRKKJIBGYNP-UHFFFAOYSA-N 518.105 7.070 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 1084136236 VHRGXJGVGIUOCW-QFIPXVFZSA-N 515.379 5.140 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084347890 WMUUVZDUOYRWBU-UHFFFAOYSA-N 537.682 5.045 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 1084616165 BTPUHKJBOQHFAM-UHFFFAOYSA-N 541.254 5.102 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 1565517678 NHRHVDQIUVXLSU-UHFFFAOYSA-N 503.396 6.344 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614623651 QYXNBTZBKNEMDI-HZPDHXFCSA-N 545.171 5.145 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743785 IQYNDEHHZDRIHM-UHFFFAOYSA-N 568.777 6.745 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686140 RVKZFOVBUYXQFW-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865686943 FSIXJEZOCSRZAA-XMMPIXPASA-N 527.452 6.537 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688620 WZCSIRLLCZTJFT-JOCHJYFZSA-N 523.431 5.277 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865690484 SOUKDBVNYQJLQA-MUUNZHRXSA-N 504.634 6.612 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695819 UMVAAYIKURDAPH-MHZLTWQESA-N 527.024 6.202 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865696206 KTQMVUGFJLUCTB-GDLZYMKVSA-N 552.650 6.923 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cc(Br)ccc1F 1865702573 XBEIJHBIDPDUQK-NRFANRHFSA-N 566.228 6.422 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704670 BJOROXBBDDYQJJ-MUUNZHRXSA-N 542.570 6.175 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705440 VZCOROUPOHHTGY-AREMUKBSSA-N 536.588 5.415 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865706694 COSYQPQJPSDZAD-RUZDIDTESA-N 564.011 6.848 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041288 YRCYLXFVNPTIJI-FGZHOGPDSA-N 557.539 6.314 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867180836 XQWXUSXHDDWLPO-NDEPHWFRSA-N 570.740 6.385 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(F)cc2)cc1OC 1867222669 XRJHNLHCRFVUGW-DLFZDVPBSA-N 569.658 6.434 50 10 KKGE CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433892 UFIXPZIAEQZUOH-MHZLTWQESA-N 540.136 8.753 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1905842961 IXCQEFQTXNAOMB-GDGKWOGESA-N 521.816 6.670 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1sccc1I 1948505906 XEAKIRHILAHBCE-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Br)cc1I 2026211156 HWQRRNHSADMKDC-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCn3ncnc3C2)c1Br 2108969197 MEBLIQRCROGVLS-XRGYYRRGSA-N 534.897 5.326 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)cc2I)c1Br 2142278885 JEJPHAWXVWQJGN-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE FC(F)(F)COCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405167 GYIUQBPDTLIETP-SSDOTTSWSA-N 568.247 6.986 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)c(F)c1F 2207276304 VEKPHTKQNIDPNM-NSHDSACASA-N 540.342 6.562 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1Cl 2232528399 HRKQRDVYVNHLHK-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)c(C)c1Br 2235608036 ICKXPCUOWXBEBN-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1ccc2c(c1Br)CCO2 2238075081 XVPYYFVLJYUYEW-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE Cn1ncc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2272854491 PPXSHMBKAOXEGU-MRVPVSSYSA-N 523.795 5.470 50 10 KKGE CCc1nc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2288345938 HENVJPXYROITJU-SECBINFHSA-N 554.874 6.756 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 2294168630 WOQYKEHJSNYFOL-UHFFFAOYSA-N 504.455 5.248 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(I)c(C)c1 2295265916 WSZKQXONSIJMQE-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2sc(Cl)cc2I)c1 2301084248 QXKFNPMIZCBVKT-JTQLQIEISA-N 526.846 6.906 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(I)c(Cl)c1 2303547353 SHZUGXHUWYUIEC-OAHLLOKOSA-N 522.608 5.045 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1I 2303547494 VGZCHPYZHLJSMS-HNNXBMFYSA-N 522.608 5.045 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 2313630997 ZCTDHHWEMDQBEH-UHFFFAOYSA-N 512.201 6.336 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)c(Cl)c1 2313630998 ZDMDSTOQPHROLB-UHFFFAOYSA-N 552.483 7.329 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592352 RQKQJWXFVGHLHK-DEOSSOPVSA-N 532.463 6.131 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592529 WTDPHGMCOAXLNH-RUZDIDTESA-N 546.490 6.439 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592804 BYTJSUQTVHXEEL-ZBLYBZFDSA-N 511.647 5.697 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643347 USNTYDZOZNFBQZ-YTTGMZPUSA-N 633.915 8.071 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643427 XYJXCZKHGISCQU-DHUJRADRSA-N 621.133 8.062 50 10 KKGE ClCc1ccc(Br)cc1Oc1cc(Br)cc(I)c1 2316758435 HODYYFNWMJIDOQ-UHFFFAOYSA-N 502.371 6.347 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1OC 2331266729 BKRSQTLLVDJGLP-KRWDZBQOSA-N 510.015 5.365 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)ccc3OC)n2)cc1OCCC 2331293405 HFTYBPSVOSAABN-UHFFFAOYSA-N 506.624 6.911 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2339649987 AQIFBDYBKAPAOQ-JTQLQIEISA-N 556.314 7.574 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(F)c1 2367461250 SKAQZUNRKWZLNJ-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE C[C@H]1CC2CC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368125118 FVLRHCKSVRXGHS-LTCSMMJFSA-N 552.326 6.974 50 10 KKGE N#C/C(=C(\Nc1ccc(F)cc1F)SCC(=O)Nc1ccccc1OC(F)F)c1nc2ccccc2s1 3223121 PAGUJQXRPAJVEN-HAHDFKILSA-N 544.555 6.852 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 20572883 SQVULWNHKLXSEP-IONSAMEVSA-N 517.423 6.489 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518343 RYJXZHHDWKBQFQ-MHWRWJLKSA-N 501.907 6.802 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678467 CEKWNOODMVUECP-DEOSSOPVSA-N 503.396 6.184 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)oc2c1 40530279 NPZLGRDESSITOI-NDEPHWFRSA-N 506.602 7.093 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 40813124 OPBVOUCMSHNXQW-FEZSWGLMSA-N 509.562 6.112 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825878 ONPJXIFIDAHHJP-TWKHWXDSSA-N 517.383 5.621 50 10 KKGE Cc1c(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 58888722 NOMXKQVOHPSEIH-MKFKGKHESA-N 504.428 5.724 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 58890628 ZCFRKDCHAOJUPH-PZMJWACZSA-N 506.606 5.509 50 10 KKGE CC(C)Oc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 100198308 YLNCDKJXJLLPEL-UHFFFAOYSA-N 615.116 5.755 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1 100238724 BISKTLJZDUKXKN-TZMKENEKSA-N 602.469 5.632 50 10 KKGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 100474400 WJIBACCRHYZDDO-ZMFRSBBQSA-N 571.844 5.501 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245451 RCKKVMLIEMRGQU-IDJUBOEBSA-N 570.036 7.295 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101307219 WNSHEPUVBKSJNL-HHHXNRCGSA-N 553.398 5.769 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101337101 QNGQYVIYFGGBFR-NHMXVPMISA-N 543.023 5.363 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101367973 MYVNMNALSOBPKV-LJAQVGFWSA-N 583.468 6.774 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 101375146 LYGPISIYFNPZSP-NDEPHWFRSA-N 533.024 6.601 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379789 ZBBDLCRPDPFVGK-WJOKGBTCSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385083 TUGWLHWNQZNEPR-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386037 FMGIGKOOSBMYDW-GDLZYMKVSA-N 617.883 7.127 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389288 ULBLKSPEHATKIV-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390126 SQCNDFGWMOGTQG-HSZRJFAPSA-N 583.924 8.596 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc(OC)c1OC 101393505 NDBWVPAZPNTEGL-RUZDIDTESA-N 530.508 5.344 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccc(Cl)cc12 101397792 LJYDJXMKSHVNSW-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)oc2c1C 101398716 KBCYXPIHOLUICK-HKBQPEDESA-N 574.608 7.514 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399793 OGMCVPYYTBFPBE-ZWXJPIIXSA-N 611.050 6.281 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)cc1 101592471 OFICYJKHVXYZRT-ZXVVBBHZSA-N 527.362 5.224 50 10 KKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 101697610 DIQKGVLPDICZFZ-OJPKGUMCSA-N 533.964 5.635 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 101905979 QQTSUDACUPTTDO-NVMNQCDNSA-N 546.248 7.198 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4ccc(Cl)cc4Cl)c3C)sc3c2CCCC3)cc1 103875538 JSGWIARPRWFDSQ-PXLXIMEGSA-N 560.550 8.966 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@@H]2Br 150401903 PXIALSQRXOKNBZ-CHVKPNOBSA-N 642.476 8.410 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 150430640 NYQJLOCXOOLTCS-JNJFLXMWSA-N 638.502 6.395 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205654721 UEHGSNALDPEZTK-IAYMEUQHSA-N 508.618 6.610 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214324231 YFCPRRFZPXGNAD-SYQPQHDQSA-N 522.605 5.018 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214377940 NTTUGPFCOCIDJL-RGXNXFOYSA-N 584.720 7.374 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214421701 ZLKBYDCBZMIILB-IMRQLAEWSA-N 554.672 5.587 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 234995991 WQLPPVVSTCUQHA-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2cc(Br)sc2Br)c1 236038660 QRRZPAZJZUVAKL-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1C 252591625 BBNCZWRBVYQKCA-UHFFFAOYSA-N 562.091 5.881 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)[C@H](C)Oc2ccccc2Br)cc1 252629853 UOWKLCIQKADTQH-IBGZPJMESA-N 503.400 5.528 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530166 KCEQSXCXMOAMQF-FIOBFNGLSA-N 561.335 10.908 50 10 KKGE biogenic O=C(CNc1ccc(I)cc1)NN=C(CCc1ccccc1)CCc1ccccc1 253576284 VPWAYWMREKNUNC-UHFFFAOYSA-N 511.407 5.441 50 10 KKGE COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)CSCC(=O)NN=C(C)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 254381426 RKRUDTRBIOFZAJ-UHFFFAOYSA-N 740.839 5.339 50 10 KKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(I)ccc2Br)C1 300463631 FMMNDMSYIBXCDC-MEBBXXQBSA-N 515.027 5.127 50 10 KKGE Clc1ccc(Cl)c(COc2c(Br)cc(Br)cc2CBr)c1 312606806 GICITFBGTGRGOK-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE O=C(NC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)c1csc(C(F)(F)F)n1 725239160 YWEQMPQQWLESOW-HXUWFJFHSA-N 639.043 5.976 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 1083996560 BLVGVBBBVFFFTK-UHFFFAOYSA-N 550.721 7.046 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1 1084034508 PVXLXKPNRWYVDT-KGENOOAVSA-N 571.302 6.591 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 1084092821 NRRFPQSNVARCNN-YBFXNURJSA-N 511.803 6.544 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OCC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084122588 TTWBMJYHJKCBPQ-UHFFFAOYSA-N 636.170 6.370 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084349815 WEBVOVCUUNMWPW-QFIPXVFZSA-N 526.666 5.286 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1C#N 1084612995 FYTWMQKERAAYKR-UHFFFAOYSA-N 518.367 5.809 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 1772753708 DKSRDRGDRLOMMF-UHFFFAOYSA-N 509.389 6.263 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 1772760420 KUOGFZHISWGZIT-UHFFFAOYSA-N 529.449 6.090 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434901 RGULCXDJBDOAKJ-ZOYABWNESA-N 635.352 5.642 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683377 KMASIQWUFXLTQK-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865688252 NXHLYNPOCAXNQB-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689512 AXSMKERSKCLUAA-PMERELPUSA-N 524.624 6.704 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc(Br)ccc1O 1865695707 GTJRDXAUQNMSPP-INIZCTEOSA-N 543.702 5.429 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700798 DNSISICPMPCRSR-HHHXNRCGSA-N 545.470 6.906 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)OCc2ccccc2)c1C 1866128460 SVWCXFBSMJIVPJ-CPNJWEJPSA-N 508.983 5.789 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433350 JDTKDEZOJKPLDQ-FQEVSTJZSA-N 528.037 6.836 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C(C)C)c(OC)cc4C)cs3)cc2C1=O 1872753550 COQDAPQEYLCVDB-LTHSRMNQSA-N 515.635 6.595 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OC)cc1Cl 1872755130 ZIXSCBYLDDTRFH-XLNRJJMWSA-N 509.971 5.435 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCc1ccccc1C 1872791440 IAORAHWPAHJUGS-OEAKJJBVSA-N 512.631 7.178 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915070668 ZZKCUMNPUBNQGJ-LBPRGKRZSA-N 513.139 5.885 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 1922944894 AOTCIHUOHCGENE-SSDOTTSWSA-N 588.804 7.652 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924579972 MNIHCEBIFVLUHM-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924595045 SXWARDDGHUHDSX-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924595413 YRTDXDPDOQHDKO-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE CC(C)Oc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924599581 JLPFKKANUFJSKL-NSHDSACASA-N 547.932 7.307 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(OC)c1 1924602279 VIKFXIJKENIIGL-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 1924614607 POSHGWGAIALWBJ-AYHNYZOXSA-N 507.911 6.908 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(Br)ccc1I 1925584868 LNYLRAYBGJVBFP-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE Fc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2031480500 WIQKWYRJTYRUHT-GFCCVEGCSA-N 501.813 6.598 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1I 2083336419 ZXVBTGLYSFRPOU-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE CC(C)(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470403 GTRLWTGFGUQWJU-MVKOHCKWSA-N 582.794 7.855 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCOCC2)c1Br 2141473489 PMZPAZJNOMNMHM-HQJQHLMTSA-N 584.766 6.989 50 10 KKGE CCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(CBr)sc1Br 2179794677 JOCSVBDPWLITFO-UHFFFAOYSA-N 536.355 5.081 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)c(F)c1Cl 2201614637 IFXXZHVZPIGXPW-NSHDSACASA-N 509.797 7.234 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)c(F)c1Cl 2201621942 QAXJFUJWCSSAFR-LLVKDONJSA-N 509.797 7.281 50 10 KKGE CCC1CCC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206406364 YQQPWANVVPYTAH-GKHYQBCPSA-N 552.370 8.233 50 10 KKGE Cc1ccc([C@H](Cl)c2ccc(Br)c(C)c2Br)cc1I 2224624333 AGXVJODFDISJRF-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE Fc1cc(C[C@H](Br)c2cc(Br)ccc2I)ccc1Cl 2277794705 YCFPEFQZLWIEPJ-NSHDSACASA-N 518.389 6.525 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2285944104 QVFDWWBSNDQZGS-CQSZACIVSA-N 533.830 7.045 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 2296500562 ZKTKBEQWICTHCK-UHFFFAOYSA-N 543.472 7.696 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(C=Cc4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 2297413536 WUMPMFXIFJDDFE-HKBQPEDESA-N 500.602 6.480 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1C 2297709361 VPORQMWSHANXPS-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2312248990 VKIMXZRHFOMABS-VBOXYBSHSA-N 523.910 6.287 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1C 2313511308 ZNKKCVKEZMWRCH-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE COc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1cccc2ccccc12 2313566954 FGZXROOQJSNVRH-UHFFFAOYSA-N 512.347 5.027 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(I)cc1 2313571101 NJTGKACWJYTEKX-UHFFFAOYSA-N 627.693 7.775 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313624608 XMCPJSNGDDTJHD-UHFFFAOYSA-N 510.844 6.390 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631184 LVWQPBCTZKARHG-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314449586 RCYLAZDBGBGIMN-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(I)ccc1Br 2314453385 WERWTQXRYRMCJL-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C[C@@H](C)O1 2314476762 VERWNHHSYSJYHR-ZRZAMGCNSA-N 578.698 5.288 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592463 ULJDNFQUCRAADY-XMMPIXPASA-N 520.010 5.422 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592782 BNNBVQFTDPZLMB-IQGLISFBSA-N 518.038 5.652 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634706 BQJZVUGJOFLANN-WJOKGBTCSA-N 540.616 6.110 50 10 KKGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 2314772592 MSDOABGARDTJAK-UHFFFAOYSA-N 516.388 5.426 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 2331260481 NFIMQBWUCOHKPP-SFHVURJKSA-N 508.441 6.289 50 10 KKGE CC(=CC[C@H](O)C(C)=Cc1csc(C)n1)CCC[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 2333151875 IDHLZOWJDYQQSB-CZOYGBDFSA-N 738.237 10.845 50 10 KKGE C[C@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CCBr 2349825740 RKMNDJZVUDCJBZ-WCQYABFASA-N 501.044 5.297 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364049052 AXKUCCZPNXJMOO-VIFPVBQESA-N 507.835 5.745 50 10 KKGE CCN(C[C@@](C)(CI)OCc1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2368207018 ISWJWULUJCWAOI-LJQANCHMSA-N 557.267 5.128 50 10 KKGE CC1(C)CC[C@@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@H](OCc2ccccc2)C1 2378004102 XWFIMCBVGSZKAB-NLFFAJNJSA-N 512.738 5.101 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccccc1 6600623 VNRXJXGGRYPBLJ-UNOMPAQXSA-N 522.355 5.881 50 10 KKGE CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981416 WIJGZFBDPRUQHV-HXUWFJFHSA-N 504.508 7.108 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 14832266 COKPVEDEDSOWMU-CHWSQXEVSA-N 518.235 5.263 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38683763 BCSHZSGPYAMRFC-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684724 QJTHMOJTKVBTDB-DFXYEROKSA-N 526.633 6.265 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813670 XZXWNKUNDJYFAJ-VUTHCHCSSA-N 500.382 6.016 50 10 KKGE COc1ccccc1C1CCN(c2ccc(/C=C\C(=O)NNC(=O)c3ccc(C(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 53947179 UXUUUQRCZADPDW-QPEQYQDCSA-N 568.552 5.481 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 58889474 GSBVQILPXAHEAY-BAAUMNHKSA-N 502.354 5.445 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC#N)cc1 59304075 NSJVFMDLUPXYAR-UXHLAJHPSA-N 513.395 5.882 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1 59483549 QBLYQJBEXNTVGQ-ODLFYWEKSA-N 511.803 6.544 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 100401714 QAJZCSQDLSLCRK-DPNNOFEESA-N 585.889 7.298 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 100452591 UTTQHRNCFHXHIZ-OADPBGPJSA-N 564.249 5.894 50 10 KKGE O=C(N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 101008286 RQWHSYBXIWUXIK-VIBAAIGISA-N 594.263 5.011 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101334936 NICWKMWYPRXUHU-WGOQTCKBSA-N 528.568 5.103 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340187 WMSKPSPGHZVKNU-WEMUVCOSSA-N 586.692 6.562 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101370591 WRQZBAPOGGQZJD-RUZDIDTESA-N 525.388 6.228 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389219 AAVMAAQDTPIJTG-PMERELPUSA-N 536.559 6.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccccc1Br 101394001 SPPJXGDHXKMNBX-OAQYLSRUSA-N 572.267 7.408 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399200 BNKCSFDOBGEIGS-WJOKGBTCSA-N 611.025 7.559 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399661 TWEUCDHPFZGIOM-MGBGTMOVSA-N 621.089 8.118 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612366 KFXWXGLONIQMLX-ZCTHSVRISA-N 538.387 5.898 50 10 KKGE O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccc(Oc3ccccc3)c1)CC2)NNC(=O)c1cccs1 103079625 WJENPHAJHZEJFZ-PYCFMQQDSA-N 575.646 6.193 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 103797169 QSMKXLJAKQKLJX-SBWWSWLISA-N 578.716 8.203 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC#N 103876559 USDLHDQESZTMOJ-FDAWAROLSA-N 543.421 5.890 50 10 KKGE COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 103879845 QPDMNTUGONHLPT-KEIPNQJHSA-N 530.628 6.411 50 10 KKGE Cc1ccc(NC(=O)c2sc3ncn(CC(=O)/C(C#N)=C4/Nc5ccccc5S4)c(=O)c3c2C)c(C)c1 103908204 KAPNYUFWFBDBTA-UQQQWYQISA-N 527.631 5.158 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 105065186 LUJQLWLDHGWLDV-JVWAILMASA-N 540.022 5.185 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 150484342 ZIIOTIKZRSULNQ-JGCGQSQUSA-N 633.484 6.792 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc(C)c1C 150486544 FUAWNFZSMXNHME-DUJAQOENSA-N 643.762 6.608 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 163798934 BHLLHHZKBJDUQA-ODNPBWNPSA-N 708.369 8.302 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 164013446 PILUJPIMJTXBNE-ALQBTCKLSA-N 711.738 5.753 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 170171553 YQFZNYCPHIXROS-XPMTUQOHSA-N 919.761 9.476 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 196115611 PPFHNIVPOLWPCF-ADAARDCZSA-N 541.071 6.075 50 10 KKGE in-vitro CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OC 205654987 CCBREUXBLJWZLT-XGRABPSDSA-N 524.617 6.491 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1 207208507 WPNQEIWRLDSPSK-JWGURIENSA-N 502.636 6.933 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C1=O 214234082 JENZAHMSOPTOQJ-ITYLOYPMSA-N 540.639 6.640 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214323937 VITJRLHTTQMRKC-AHXGIVOUSA-N 536.632 5.406 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)c(Br)s1 232482912 RVMHMNAFOKJIQB-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1cc(Br)ccc1O 254288408 GDACCNROLXSORY-UHFFFAOYSA-N 587.503 5.743 50 10 KKGE COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)NN=Cc1c(Cl)cccc1Cl 254340921 MVVMFWDOPUBFIB-UHFFFAOYSA-N 502.141 5.897 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 254379991 BZDXHUPOXYVLHS-NZOCAQQHSA-N 569.709 6.457 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc3ccccc23)c1 254481924 UPSPHHRXRLCHHT-UHFFFAOYSA-N 501.542 5.609 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)=C\c1ccco1 254798701 ZKCZIOMSQLRLSJ-HEUIOJNUSA-N 504.637 5.217 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591099 WUWBJKZWDLYUSB-ALQXIODZSA-N 684.943 5.808 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2scc(Br)c2Br)c1Br 705448549 RGZDKZFTKONMKN-ZETCQYMHSA-N 519.427 7.444 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 725404161 NQUUBASSIPNEDV-HKBQPEDESA-N 505.618 6.205 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CCCNc1ccc(Br)cc1 1083915085 XCFJOZPXAYEVCT-UHFFFAOYSA-N 523.479 5.276 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Br)cc1 1083947100 LBANAIFWZZXNOD-UHFFFAOYSA-N 598.291 7.038 50 10 KKGE O=C(NN=Cc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl 1083952885 OESZYNZXGIFSRG-UHFFFAOYSA-N 508.192 5.828 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1 1084038165 MFJAXLLTIQUIQK-UHFFFAOYSA-N 593.706 7.558 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 1084074323 DZVYKXGEKIYRPU-QFIPXVFZSA-N 576.285 5.763 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1 1084127238 BHLIIQCDCNGHOJ-UHFFFAOYSA-N 542.705 5.361 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084186275 NKWDXYSRQDSLRX-UHFFFAOYSA-N 580.717 7.369 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084242551 BBRLIPZCYCQVLN-RUZDIDTESA-N 545.463 6.334 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2C)cc1 1084283386 YOUVINAOMBLOKN-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccccc2F)cc1 1084285958 IABWIYADKLKKHE-UHFFFAOYSA-N 536.604 5.026 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084286947 NWBBUAMKKCQHMD-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(Cc1ccccc1Br)O[Si](C)(C)C 1084294749 XWJNTQPWGWTJJN-LCIPZFHYSA-N 527.619 8.147 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 1084321767 YAKXPYHUBWGVMN-BOPFTXTBSA-N 525.233 7.305 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 1084369328 BQWXTKRNTJCLAB-QFIPXVFZSA-N 536.253 6.299 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)c2C)c1 1084391444 TZKYDBWJBBWSPA-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc3)cc2)cc1 1084403716 PGUYQFQRINYYMW-UHFFFAOYSA-N 545.636 5.367 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084556323 YNPBPGLIRIWDNX-UHFFFAOYSA-N 583.483 5.341 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(C(F)(F)F)cc2F)[C@@H](CI)C1 1614622369 AOPUKADZNIHWFG-YOEHRIQHSA-N 507.265 5.632 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865690375 PPJUGRBNADUMFJ-QHCPKHFHSA-N 504.512 6.441 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696960 LZVHUTUABMYVHT-NRFANRHFSA-N 509.404 5.213 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1c[nH]c2ccccc12 1865700109 LDOYETJFINGZAT-QGZVFWFLSA-N 500.278 5.353 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cc(Br)ccc1F 1865701796 FOHLNIYCENZFFV-HNNXBMFYSA-N 558.127 5.773 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702907 HYIOKAGZXMSJLT-MHZLTWQESA-N 529.015 6.474 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705565 ZCUWDLCEKWQKFP-SANMLTNESA-N 579.415 6.132 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1868320947 RBILAIRIFOITCS-UHFFFAOYSA-N 523.662 6.825 50 10 KKGE COc1cc2c(cc1OC)[C@@H](c1ccc(C(F)(F)F)cc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868480364 LUGSPWNXKIBPNT-GDLZYMKVSA-N 577.632 7.290 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5cc(C)ccc5nc43)n2)c1 1868505906 NNCRVYHGGFUCIK-UHFFFAOYSA-N 516.630 7.020 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2c[nH]c3ccccc23)cs1 1872791483 KNPOGZJXGQWDSI-LFYBBSHMSA-N 501.203 6.586 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 1872791799 SNQGVPZMTHKPPE-KGENOOAVSA-N 505.596 6.903 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1873941047 UEVULFXYHHEGBX-FCZDSELZSA-N 519.626 6.981 50 10 KKGE COc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1876918278 DRZDRUMHAUNERF-SNVBAGLBSA-N 554.323 7.135 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922935352 OTRIEOAAXCQIOV-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)[C@@H](C)O1 1924614298 XHIVWGADWYIFAD-MNCSTQPFSA-N 511.899 6.285 50 10 KKGE Cc1cc([C@H](Br)c2csc(Br)c2Br)c(C)cc1Br 2032958912 PESUIZQKYQBULE-NSHDSACASA-N 517.906 7.137 50 10 KKGE CO[C@@H]1[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H](COC(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)O[C@@H]1O[Si](C)(C)C(C)(C)C 2037814284 SXHZMFOXECAZEF-CUCKDACYSA-N 749.018 10.035 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@H]3CCC[C@H]23)c1Br 2085496312 VVWLVSSDPJEXAC-NJLOMBEFSA-N 566.751 7.219 50 10 KKGE CC1CC(C)([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085498679 CEOALTULJNMMQZ-BZCBFNEHSA-N 568.767 7.609 50 10 KKGE BrCc1cc(Br)ccc1OCc1cc(Br)ccc1Br 2118519499 KUXPUSXSWGXBIO-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cn1ncc2cc([C@@H](Br)c3c(Br)sc(Br)c3Cl)sc21 2118609826 BZSQCFJVMZRTLP-SSDOTTSWSA-N 505.482 6.359 50 10 KKGE O=S1(=O)CCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467889 DQEFMAFAHHAMLI-CPCISQLKSA-N 604.778 5.750 50 10 KKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141468748 NFBWZYDKZPDWLU-GJMOJQLCSA-N 584.766 7.130 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]2C1 2141468764 NIWXDYXGLFDDTN-WEKTVSAVSA-N 536.327 7.453 50 10 KKGE CC1(C)C[C@H]1CC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472698 HCTKAXLWBZVZIY-HTQZYQBOSA-N 582.794 7.999 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2154374782 ZRVSQOCGQMCMGP-RBUKOAKNSA-N 514.689 5.477 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Br)c2Cl)c1Br 2201082016 MAVTYHHMUBNTCO-AWEZNQCLSA-N 546.322 7.729 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408561 KNXRVXMYWVUZLA-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc(C)c1Br 2227420829 HXABJWCPIURVBV-SNVBAGLBSA-N 507.900 7.681 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2232839106 PJNAHDHNLGEJJP-LBPRGKRZSA-N 569.289 7.807 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@]1(C)CCN(Cc2ccccc2)C1 2234057571 MNKYCKGLSVBZFD-SPLOXXLWSA-N 511.689 6.482 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(C)c(Br)cc(C)c2Br)c1 2240996745 OVEDROFHDKDAPH-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)c(C)c1F 2264471202 NPKQQAPYVBQECW-NSHDSACASA-N 501.963 5.027 50 10 KKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC(C(F)(F)F)C1 2264650188 FZDWGDHALLEBPB-JGPKUNILSA-N 505.419 7.294 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(I)c1 2288343921 DCENBLZCGJTPHW-NSHDSACASA-N 584.793 6.718 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1 2293198301 RORBHVQZGPPQFT-QHCPKHFHSA-N 536.426 5.962 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NN=CC(Cl)=Cc1ccccc1 2293320795 LXMNZDBVTAMQKQ-UHFFFAOYSA-N 508.434 6.062 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(O)c(OC)cc(Br)c2Br)cc1 2293452780 DFVNHPGNPMSIDX-UHFFFAOYSA-N 678.809 6.347 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)Cc1ccccc1I 2295266264 ZINNXMKRXXOCPK-LBPRGKRZSA-N 530.425 6.394 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F 2297506278 RBCAJVJYPFZCAS-UHFFFAOYSA-N 540.345 6.020 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1 2297578632 RAFJDNKAUNLMLS-UHFFFAOYSA-N 519.236 8.008 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(Br)ccc1OCc1ccccc1 2299534019 YZNXXUMPRGAKMM-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 2313570912 IYGSAUVEWHVTJY-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314610217 FIOJOXVRAWZXQT-UHFFFAOYSA-N 560.629 6.650 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314610696 LFLDIAFOVMODCK-OAQYLSRUSA-N 611.529 7.816 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 2314618206 JGWJAGQIOFWVEE-UHFFFAOYSA-N 550.018 5.779 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634474 WLMHLFLVCRHVPF-NDEPHWFRSA-N 551.426 6.628 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)OC2CCCCC2)c1C 2329687227 POMIKLDQOJWMNH-UHFFFAOYSA-N 501.004 5.922 50 10 KKGE CS(=O)(=O)C1([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)CCC1 2362228347 NIRQXOVKSCZRKH-NSHDSACASA-N 513.448 5.407 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2C[C@@H]2C(F)(F)F)c1Br 2362233318 ZBXFNMLJSLMKFW-NGJCXOISSA-N 503.353 7.029 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc(OC)c1OC 38660584 VOUCKTJNCPFUHB-GDLZYMKVSA-N 522.557 5.232 50 10 KKGE COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 39992823 KCWBXOBIAPKWEZ-CAPFRKAQSA-N 508.578 5.647 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3C)CCC4)ccc21 40811471 VAVPKKPKFSDZSX-YQCHCMBFSA-N 518.617 6.747 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc6ccccc6c5)c(C)c43)coc2c1C 40826636 IGEHHOFCBHPNRS-MHTZHOPKSA-N 520.585 6.723 50 10 KKGE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](CN=C=O)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 72131156 FWULWQNHPKVVEM-CHSPFLSQSA-N 679.605 5.621 50 10 KKGE in-vitro CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1 100080088 YGCTZTJISBAAOO-UHFFFAOYSA-N 601.556 6.038 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1Br 100186829 LUVDXSUMYYLDIN-UHFFFAOYSA-N 557.308 5.120 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)[C@H](Br)C2=O 100924570 DTJWUEDMAIQIIJ-YSGRDPCXSA-N 560.080 5.824 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)cc1 101012501 PSPFSORUUPSHST-GTWSWNCMSA-N 531.637 6.765 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101337639 NQNXYRDDEILACP-MNBGHVASSA-N 540.623 6.216 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2=O)cc1 101340151 OZJXKCWPASOBFH-MTDXEUNCSA-N 549.030 6.036 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101375446 AXORMKZYUQEWEI-ROTAYESASA-N 574.649 6.775 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387275 TWAUXYSGBIQXIT-UUWRZZSWSA-N 608.666 6.913 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(F)cc6c5C)ccc43)c2)cc1 101398275 CJIIWDRKQMYDRU-HKBQPEDESA-N 560.581 7.205 50 10 KKGE CCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 101727465 PKYTUVZGYTWICW-RPPGKUMJSA-N 568.946 6.656 50 10 KKGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 102705619 XJXXWFHTAYWLPL-HMMYKYKNSA-N 515.645 6.197 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103540184 QMYMLYFDFLBBPZ-ZOJKJTATSA-N 534.617 5.018 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)ccc1OCc1ccc(Cl)cc1 103563236 XNUPOMMYDSJRTL-FABQOPTDSA-N 572.061 6.326 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccccc3O)cc2)c2ccc(C)cc2)cc1Br 103749444 DAYYLXJRXKQSKO-FDAWAROLSA-N 608.514 5.631 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C/c1cccn1-c1ccc(Br)cc1 103794328 KGSGUCXAONQTMM-FOKLQQMPSA-N 556.052 5.294 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 103877048 YGKQUIIPVMHCSL-BKATUZMVSA-N 614.145 9.001 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1Cl 150463830 FJUUDHKXIMRVBK-JGCGQSQUSA-N 679.984 8.851 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479613 XCVPFRPZEYEXGA-XMMPIXPASA-N 745.657 10.042 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485394 RZNZQPGUFRNTGF-FZEVHQGJSA-N 635.475 7.311 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C)cc1 164609144 KLXKYVMWIAVHNX-IPPBACCNSA-N 633.280 6.850 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](CCSSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 220400466 SWCNFGJFBVKSLP-HDICACEKSA-N 580.810 5.618 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)sc2Br)sc1Br 236068899 SCNNUQXWPRLBAA-ZETCQYMHSA-N 530.326 7.235 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc(Cl)c1OCc1ccccc1 252619351 LODSMSLAFLRDBH-UHFFFAOYSA-N 663.558 6.549 50 10 KKGE COc1ccc(O)c(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1 254288744 ARRWPLKZIPLUOJ-HXUWFJFHSA-N 552.660 5.378 50 10 KKGE CCCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 254826365 OIFGAYFUIHUWMU-UHFFFAOYSA-N 523.589 5.036 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C/c3ccccc3)nnc2-c2ccccc2)cc1 254878151 ZVHMLLWGBOMOBL-HQYUYLDOSA-N 532.467 5.873 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)[C@H]2Br 256022816 KQQNDXDUBZRHFE-HSQYWUDLSA-N 588.203 7.462 50 10 KKGE CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1cccc(Cl)c1Cl)N2 299804149 CSMHROULSVMVLH-KNZCJLRSSA-N 547.891 8.143 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1[S@](C)=O 575232320 MEIKKMCUTRNHMT-JDQDACEYSA-N 679.405 5.437 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@H]([C@H](C)/C=C/C(=O)C4(C(=O)OC)CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 575327245 AFEHGYWCWWNYJP-YPCJQVITSA-N 697.162 10.901 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)[C@@]2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)cc1 642814227 RCSOTAHCYVQUHR-QLKFWGTOSA-N 590.662 9.688 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1Br 721614520 PHKXYSNVYSVQQH-NSHDSACASA-N 566.803 6.579 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 725400984 HBLOFQAJPFGIEN-DOVDTPAYSA-N 775.104 8.653 50 10 KKGE C[C@H](COC(=O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)O[Si](C)(C)C(C)(C)C 888086349 GBGSABGMRFQABY-GIGWZHCTSA-N 561.239 6.017 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1c(Cl)cccc1Cl 1084189518 PXTLTPPIOYGYOK-UHFFFAOYSA-N 569.308 5.140 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1 1084305970 WJCWEJFCJIUTHP-LICLKQGHSA-N 625.144 8.042 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(Cl)cc(Cl)c1 1084434242 IOBLOQLYCKUCSR-UHFFFAOYSA-N 535.236 5.477 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1Br 1084613143 KVTGHPMCOMTCQF-UHFFFAOYSA-N 578.466 7.198 50 10 KKGE Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NNC(=O)CCOc2cc(Cl)c(Cl)cc2Cl)c(C)c1C 1615949721 QBWYTDGVWNKONQ-UHFFFAOYSA-N 561.893 6.650 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743964 MQGLTOFXAQMMOO-UHFFFAOYSA-N 516.395 6.226 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)nc1 1772750174 WHLMCFMSSIPHBQ-UHFFFAOYSA-N 501.370 5.086 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 1772755130 OVQHKNAWTICFID-UHFFFAOYSA-N 594.600 7.692 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccccc1 1772756577 ZFESXQIWWQAOSI-UHFFFAOYSA-N 531.834 5.836 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 1772760440 MWQKMECLELMTJS-UHFFFAOYSA-N 515.422 5.700 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1848434254 UHCDRCBBCZLXBO-JWTYVINESA-N 641.186 12.671 50 10 KKGE COC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N(C)C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1 1848435267 PXUDJFSVTGVCTE-NXCFDTQHSA-N 625.908 5.628 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(Br)c1 1865684196 NAMQZDBXMYEOCU-HNNXBMFYSA-N 540.137 5.634 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690507 TUOIPZOUVXTYEL-SFHVURJKSA-N 509.315 5.874 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1 1865694239 RNANQSUWQBOCIP-MHZLTWQESA-N 557.448 6.139 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865697250 YKNCVMADTAQDRB-PMERELPUSA-N 564.686 6.793 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865701980 JSYGBKVCTQQPOS-HSZRJFAPSA-N 531.385 5.976 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1C 1865702723 CKZLSFJNSLMZPU-LJAQVGFWSA-N 573.068 6.791 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865703063 LZCHTRRSSMHARL-QFIPXVFZSA-N 503.484 5.392 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCC(=O)N(CC)CC 1865707415 WQAANJBAUYCQFV-SSEXGKCCSA-N 551.647 5.198 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712412 XUDFZSVDEPEIQU-NRFANRHFSA-N 528.352 5.029 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)c1 1868365717 VICIIZVLCGNHLU-UHFFFAOYSA-N 522.678 5.834 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746606 PPZNXQHTQFDYKZ-AIBBPYECSA-N 521.598 5.827 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873920340 DKZUCZGSENNVRW-UCMOXVNCSA-N 503.580 5.331 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065757 HEGMHZPRMLWJFL-VIFPVBQESA-N 538.324 7.482 50 10 KKGE CCCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924589262 BESSBSHMHLGSCO-VIFPVBQESA-N 525.970 8.222 50 10 KKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924595216 WJUSCAMURBNXNP-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Cc1ccc([P@]2(=Nc3ccc([N+](=O)[O-])cc3)c3c(c(C)n(-c4ccccc4)c3C)C=NN2c2ccccc2)o1 2059862283 QWUVYTJMKRSNMS-LDLOPFEMSA-N 535.544 7.157 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2083323511 XDPDZKAYCQEYOB-NSHDSACASA-N 501.842 5.675 50 10 KKGE Cl[C@H](c1csnc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085493615 DRSVIUHGSAYRFH-SECBINFHSA-N 604.181 7.284 50 10 KKGE CCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085496687 XRWGIYKYMWXALP-LBPRGKRZSA-N 568.767 7.753 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2I)c(F)c1Cl 2142290313 ALTPPHLRSUWVRV-LLVKDONJSA-N 522.352 6.470 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Cl)ccc1I 2145956408 KMBPYKORNDJNHG-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@H]1Br)c1ccc(I)c(Br)c1 2179630248 SSQPLIVDBUNGRW-CMPLNLGQSA-N 515.027 5.127 50 10 KKGE CC(C)(C)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206398445 VFKICMVURXAXBJ-CYBMUJFWSA-N 552.370 8.233 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1C 2213654249 IKPOMRXPDQUNJE-SSDOTTSWSA-N 523.935 7.198 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1C 2213654250 IKPOMRXPDQUNJE-ZETCQYMHSA-N 523.935 7.198 50 10 KKGE Cl[C@H](Cc1sc(Br)c(Br)c1Br)c1ccccc1Br 2222447886 HWAJRYWCKHPLEC-MRVPVSSYSA-N 538.324 7.321 50 10 KKGE Fc1cc(F)c([C@H](Br)c2scc(Br)c2Br)c(F)c1Br 2227808120 VQBAPOFVSAFJOQ-VIFPVBQESA-N 543.822 6.937 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(F)c(Br)cc2F)c1 2232219806 KCCYXOSPKAOVAZ-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232520943 RJUKPJJIVMUGHE-GFCCVEGCSA-N 569.289 7.807 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263526645 RXUFRHPENWWLJO-GFCCVEGCSA-N 501.838 6.554 50 10 KKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(F)cc1Br 2267243402 VWCNLGGENQXSPM-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 2294168545 RACWQLGGBILFKD-UHFFFAOYSA-N 527.418 7.126 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296169474 WLFMZIXIJGWRNQ-QHCPKHFHSA-N 502.527 5.107 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)c1C 2296507199 YBXVEFGVUCRXBE-HSZRJFAPSA-N 522.457 6.675 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2297458866 SDVRMFMVNOUNMT-XMMPIXPASA-N 532.021 5.582 50 10 KKGE Cn1ncc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299501520 OTNPKPWPHNNZHL-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 2301043547 FKPUZJBUBIHGSO-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521524 UQMHLKRTAKXBJZ-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571164 OVRHWCHQASEWIA-UHFFFAOYSA-N 581.637 7.442 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314414546 CBGNLROJTRJECK-UHFFFAOYSA-N 545.042 7.626 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593994 XDQASMFEGHELBR-RBISFHTESA-N 509.675 6.422 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314618960 XKKVHULRDQKACM-UHFFFAOYSA-N 568.743 6.839 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634419 QKGPCMJNIHISBX-RUZDIDTESA-N 509.414 6.552 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2314735637 WUBBTAGOMZFTKG-UHFFFAOYSA-N 571.073 7.893 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C(=Cc1ccccc1)c1ccccc1 2314736978 FHLNQSYHGNXELJ-UHFFFAOYSA-N 514.581 6.065 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 2331410820 HUMGCQFYXISUOL-CQSZACIVSA-N 509.971 5.104 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=Cc1cccc(Br)c1 8431279 YYDGRBOLDYTSKT-UHFFFAOYSA-N 513.848 5.743 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29491563 GAJMJJQTRRMFEG-CLCOLTQESA-N 560.683 5.995 50 10 KKGE Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(F)cc5)(c5ccccc54)[C@@H]3C2=O)c(Br)c1 33356002 SWWSHKYOXLBVJN-DVZMCLJOSA-N 608.467 5.863 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1C 33863020 JMQZCDOYYYAELV-GRSHGNNSSA-N 500.904 6.801 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 38605601 LFGIQFJULOSQSK-RWPZCVJISA-N 522.649 6.131 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655635 GRURPFVNCJUIHL-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 38686404 RSAGDYHCTKLDDM-PMERELPUSA-N 522.532 5.607 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(F)cc1 38688030 RONLQTGJDPTROA-FQEVSTJZSA-N 511.361 6.785 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815553 XKFLPPCMWRPJBN-FEZSWGLMSA-N 522.561 5.737 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100079997 JPCMRNRKEQZBKX-UHFFFAOYSA-N 516.859 5.356 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NC1CCCCC1 101012384 SHHDQHZVGLGWFG-BWAHOGKJSA-N 537.063 7.128 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246656 AZVGXNGTIWKCMI-NRUOGFOHSA-N 554.455 6.076 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101293409 ZHLYAXIYWPASBX-JGCGQSQUSA-N 578.596 6.415 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 101368124 PVFXUBIDPBYVBP-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101368452 CBHHUYFRPZHFMI-KCEHZKJRSA-N 570.686 6.835 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 101375292 DLFMXHJORGWPLS-GDLZYMKVSA-N 530.596 6.621 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5C)ccc43)cc2)cc1 101378845 FAWSRNFPWVVNIY-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380334 KIYVEDPXJHHLFC-PMERELPUSA-N 556.977 6.261 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385124 WRVBKCMHIGLOHX-WJOKGBTCSA-N 548.595 6.029 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387714 VABDNXCPBVAONH-DOABURPNSA-N 593.079 7.463 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387960 QFSJDTBCLMJTGP-BWXVZPLGSA-N 618.730 7.687 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)CC1 101392980 IWUIDMGUEKEJPV-JBXQXZSNSA-N 566.698 7.394 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101393120 AMHXADLSNXPRAS-MUUNZHRXSA-N 603.469 7.129 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101393693 IDQRFAUEGBDPJG-MHZLTWQESA-N 585.468 8.438 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 101397183 ZEHKDEGZLLAMBF-WJOKGBTCSA-N 550.655 7.836 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603312 XGQPBMYVBBYUEB-RDRPBHBLSA-N 525.219 6.924 50 10 KKGE O=C(COc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101631387 ZWRPKBPEFUXSKV-SLMZUGIISA-N 533.209 5.202 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Br)cc2Br)cc1 101638036 DLLMWIBXTBHYGR-UHFFFAOYSA-N 540.296 5.765 50 10 KKGE COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1ccccc1Cl 101694151 JGNSUPZDGKHDLF-LSCVHKIXSA-N 547.840 6.699 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(I)c1OCc1ccccc1C 102932992 YQNXNENHTUJHSY-JAIQZWGSSA-N 613.408 6.040 50 10 KKGE CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1 102988879 JEZRNRVJRPMARH-NDENLUEZSA-N 531.417 7.330 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccccc4O)cc3[N+](=O)[O-])sc2c1 103806329 FZRSELLIWOVFEC-OKCVXOCRSA-N 583.651 6.386 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1 103878989 KFSHRMXLBLJKFY-LGJNPRDNSA-N 575.200 6.143 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C)cc1 103880290 QRHGEMWZYGQIOS-IPPBACCNSA-N 586.280 7.008 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 150382783 ZIHLAQZUKXHFMH-OADPBGPJSA-N 625.155 6.517 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 150478009 KHWDKEQZNNGNQZ-WJOKGBTCSA-N 633.503 8.328 50 10 KKGE C[C@](CI)(OCc1ccccc1Br)c1ccccc1Br 162553227 LLZNORPLNZNPGT-MRXNPFEDSA-N 510.007 6.079 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 164632208 APJBIVFCSHJMRU-IPBVOBEMSA-N 688.541 7.559 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206690382 LJMNRSCUJXGYQD-RMWWHUEWSA-N 548.595 6.099 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2C)sc2c1CCCC2 208490510 KINYJTBGTSZWPQ-ZHZULCJRSA-N 503.624 5.765 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214348912 UKUHRZHIQKKKFS-VQNDASPWSA-N 608.673 7.092 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1cc(Br)c(Br)s1 228454007 DSMIGZPZAJIQOH-VIFPVBQESA-N 524.297 7.173 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)Cc1nc2ccccc2s1 232478568 WCTYLKYNMPIDHP-LBPRGKRZSA-N 523.031 6.342 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cc(I)ccc3Br)c1)OCC2 232482994 MFFXHVJWUNLUNL-CQSZACIVSA-N 572.860 6.235 50 10 KKGE BrCc1cc(Br)c(OCc2sccc2Br)c(Br)c1 232484857 NCZGRGOQGHIUDT-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE Fc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)c(F)c1 236153610 RWUJJDOPMYKSLP-CYBMUJFWSA-N 501.934 6.011 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(CNc2ccc(Cl)cc2C)n1-c1ccccc1)=C\c1ccc(C(C)C)cc1 252624425 PNTLLWRUWWMFSB-RPXMOMICSA-N 573.166 7.262 50 10 KKGE C#CCOc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC 254306377 GGBVQFDREOLDLA-UHFFFAOYSA-N 517.010 5.992 50 10 KKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254617222 PGLRZPWLPSOTKV-UHFFFAOYSA-N 565.677 7.290 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254701056 HAOZZWHOTAFYNU-UHFFFAOYSA-N 523.614 5.956 50 10 KKGE C/C(=C\C[C@H](O)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C 306146449 IDHLZOWJDYQQSB-XOOYONTLSA-N 738.237 10.845 50 10 KKGE C[C@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504665255 SUVWZBGOTVFJCI-YDYNHKSESA-N 644.178 11.128 50 10 KKGE in-vitro CN1CCN(CCCOc2ccc([C@H](C(=O)Nc3ccc(-n4cc(CNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)nn4)cc3)N(C(=O)CCl)c3cccc(C(C)(C)C)c3)cc2)CC1 725238525 LSCMDDVUTVJIOG-KOSLULIRSA-N 913.590 5.875 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1C=NNC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159635 UDNMDSKTRSWGNM-QHCPKHFHSA-N 551.646 5.016 50 10 KKGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084143998 CIUROGVSKHMMSW-UHFFFAOYSA-N 590.474 5.930 50 10 KKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084178023 IVXAQVBURCYJRC-QFIPXVFZSA-N 559.460 6.525 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 1084212139 LEVQVYOPUFJWLG-HSZRJFAPSA-N 585.451 5.128 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3F)cc2)c2ccc(C)cc2)cc1Br 1084246535 MLHBCUYPWFYHTL-UHFFFAOYSA-N 610.505 6.065 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccccc2)c1 1084308049 FSXOUCXIBLKBMR-UHFFFAOYSA-N 527.646 5.228 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 1084337851 IIBNHPTVZCXHIL-AREMUKBSSA-N 546.620 5.094 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1 1084387052 WZGKEDVTYLLZTO-RUZDIDTESA-N 651.339 6.304 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(Br)cc1 1084485412 QWNBGICEHZDWJI-UHFFFAOYSA-N 648.601 8.685 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 1084487815 OTEYJBQYQRHIHH-MOSHPQCFSA-N 540.255 6.899 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1cccs1 1084491754 MRHVIXPINUPQMR-UHFFFAOYSA-N 588.208 5.300 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084540311 SGWCXJOMLIVYIQ-UHFFFAOYSA-N 584.366 5.477 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2F)[C@@H](CI)C1 1614691875 JJMBCUQIEXOLSW-YOEHRIQHSA-N 507.265 5.632 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750876 AWODJZGAJYSMSI-UHFFFAOYSA-N 529.600 6.090 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)cc(Br)c1OCc1ccccc1 1772753641 XSBPQCFEPDHVAK-UHFFFAOYSA-N 511.416 5.491 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1772755232 VWWKGJMJWQAJSK-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686069 QQOVEWFJNSIXPA-SANMLTNESA-N 529.015 6.741 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689574 SVZDYCQQBDDQFA-HSZRJFAPSA-N 513.425 5.968 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865693083 LCELOACYEMHNTE-SANMLTNESA-N 540.595 5.762 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865693716 QHPOUWFHODFONZ-RUZDIDTESA-N 561.013 6.025 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865694145 UTPBIKSTWONHLJ-GDLZYMKVSA-N 534.660 6.703 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OC(C)C 1865695994 BBDQOSSJMAUKQA-IBGZPJMESA-N 504.896 5.558 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696205 YITPGPDZRYFDRK-RUZDIDTESA-N 517.416 6.539 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710656 DMWUVAQOAOHURN-HSZRJFAPSA-N 518.495 5.793 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710691 FGXWNVXZPDSOQJ-HXUWFJFHSA-N 507.343 6.428 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711545 BBTSKDYEVXIFQY-XMMPIXPASA-N 541.951 5.149 50 10 KKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865711629 CZKRHKZWTKXPDU-LJAQVGFWSA-N 506.606 5.978 50 10 KKGE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866811592 QCWJNXXPPYSDAY-HSZRJFAPSA-N 515.701 5.035 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccc(Cl)c(Cl)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998723 ZAYPPENGHZFPSK-KAYWLYCHSA-N 584.525 6.598 50 10 KKGE Cc1ccc2nc(/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)[nH]c2c1 1872728106 OAWWLJVJTWTTCC-LICLKQGHSA-N 513.222 7.584 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1872744836 KLHXMFAPOVZRLJ-XDOYNYLZSA-N 507.612 5.401 50 10 KKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753862 QQUBXYCAVNTLJK-FXEAUDGPSA-N 521.598 6.716 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 1872758588 HUMGCQFYXISUOL-OLIJMITPSA-N 509.971 5.104 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872794067 IRGLYMAPMFPMAA-UDWIEESQSA-N 507.442 8.077 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCCc1ccccc1 1872794920 DMZSACAXLCTWQB-KGENOOAVSA-N 503.023 7.166 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)c(Br)c1 1873940722 DWKVOXVCFNJLHL-LVWGJNHUSA-N 519.464 7.940 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1I 1923054113 APNZPENCHIBGPN-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924568953 NVBREXRLMUQYPE-RXMQYKEDSA-N 589.792 7.047 50 10 KKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583266 IADPXXLKTPVJRG-GKROBHDKSA-N 511.899 6.144 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1I 1924596327 MWOLYMJJLHHGJG-SECBINFHSA-N 605.742 7.622 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)nc1Br 1924608739 MICNXFMMFGTTJM-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)sc1Br 1939445778 DTGCVUHTLBLLCI-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE C=C(CCl)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951466576 YFYCENUSTIIOEW-UHFFFAOYSA-N 645.444 6.099 50 10 KKGE Cc1cc(Br)sc1[C@H](Cl)c1ccc(Br)cc1I 2026210966 FULSRGSAJUGXHL-LLVKDONJSA-N 506.428 6.514 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2053466823 LBOKLYVDFCOIKJ-UHFFFAOYSA-N 525.678 6.148 50 10 KKGE CCCc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2086138925 ICBFUQBWUCISOP-AWEZNQCLSA-N 500.037 6.552 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2I)c(Cl)c1 2086149756 RYGFIYRSZRPFHO-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2113158223 CIRAHOWRDMDSJI-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Cc1ccccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476619 DGFPDZUZRVYXBV-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@H]1CCCO1 2179826933 ZATLVRZMGZPGQV-GOSISDBHSA-N 517.283 5.022 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201070254 MYQIOVYZINFORD-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2sc(C)c(Br)c2C)c1 2224056408 WYEVINMBUAXXGJ-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1I 2224621353 BOOCIUAJQIAPKJ-CQSZACIVSA-N 501.934 6.125 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)n1 2225619659 LVTBMTNEYGMEFL-NSHDSACASA-N 519.832 5.814 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c(Cl)c1Cl 2232528362 HGVUKNPVOBEWOW-NSHDSACASA-N 587.158 8.419 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c(C)c1Br 2235606350 VVXVAYRKIAASEH-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE COc1ccc([C@H](Br)c2sc(C)cc2Br)cc1I 2257370398 RZHMSFRUSFZDPF-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263525066 LSJJWMREZWVLRC-GFCCVEGCSA-N 517.906 7.023 50 10 KKGE Cc1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295267852 RDECVEMCZUBOBK-CYBMUJFWSA-N 501.871 7.506 50 10 KKGE Cl[C@@H](c1cccc(I)c1)c1ccc(OCc2ccccc2)cc1Br 2299501555 PFEDCGRTCGFILK-FQEVSTJZSA-N 513.600 6.961 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 2313545920 NXWZILAACWEDEZ-UHFFFAOYSA-N 502.014 5.573 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592749 AZCPOSVKAVQUFN-WVXBCFDCSA-N 537.729 6.895 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592802 BYTJSUQTVHXEEL-JIPXPUAJSA-N 511.647 5.697 50 10 KKGE CC(C)c1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593163 INFFHFSXRAXTPR-WVXBCFDCSA-N 537.729 7.237 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314616642 GFXRFNFFSNIFAZ-UHFFFAOYSA-N 595.486 7.203 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314616701 HUWSSNRZIPYGFO-UHFFFAOYSA-N 534.660 6.417 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314617905 CVVNANLEKIEZPF-UHFFFAOYSA-N 503.537 5.174 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Br 2314618636 QTWDRAVVWKXOGC-JOCHJYFZSA-N 573.447 5.082 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c(C)c1 2331309049 QNDJEPXJXHRPBO-UHFFFAOYSA-N 505.599 6.216 50 10 KKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 2331358738 IYVTYFAZXKGEJE-UHFFFAOYSA-N 521.598 6.804 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1Cl 2331381060 CQMYFJHMJFNKKR-UHFFFAOYSA-N 502.892 5.555 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(Br)c1 2331393878 CTEOEQPOAJVSIO-UHFFFAOYSA-N 511.485 7.712 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3C)cc2)n1 2331467298 ZPNXOEBMKLDCSC-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCC(=O)N(CC)CC 2331468640 IYOBHZMHZWXGQQ-UHFFFAOYSA-N 517.695 6.754 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCC(=O)N(CC)CC 2331484421 MRUCUSNDKAUDND-UHFFFAOYSA-N 502.061 6.235 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334327258 LHSKWPQARKMHTO-BSFVXNEUSA-N 580.778 7.609 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2cccc(Cl)c2)c1Br 2362228493 DUJJRBBSKQLEKX-VIFPVBQESA-N 505.834 7.336 50 10 KKGE C[C@@H]1CC[C@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@H](Br)C1 2377264221 SBTGQGZVANGOKG-KWCYVHTRSA-N 514.083 6.822 50 10 KKGE CCOc1cc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1 3088655 LHVKBZKGRBPBLR-IPPBACCNSA-N 579.278 6.213 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(CC)cc3)c2C)sc2c1CCCC2 33345088 RSISUUOBFYKMEN-CJLVFECKSA-N 501.652 6.319 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OS(=O)(=O)c1ccc(C)cc1 33616177 OEKUYGZCNBHQOP-JXAWBTAJSA-N 516.497 5.336 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@H]1CCCO1 33939034 YFBRXZZHXXBQNM-DERLZNSQSA-N 522.580 5.460 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655615 UENKSFMJVMSWJU-VWLOTQADSA-N 509.389 6.610 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38685073 PMIKSWDMBYIFPE-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38685215 KVRILCUVRPRECI-MUUNZHRXSA-N 518.997 6.030 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 40530013 LMBQCTLOJKQKBW-LJAQVGFWSA-N 512.606 6.480 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(I)cc1 97896151 PSWVMWBYXGFYKL-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Br)cc2)s1 100919858 UPXOUFSRSMQFHF-ZGPWBKFBSA-N 560.498 7.658 50 10 KKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)o2)c([N+](=O)[O-])c1 101034126 UTMYODAOPYNVJL-MHWRWJLKSA-N 515.934 7.111 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246242 PSMCTLIFRVGPQX-IEQIIXMPSA-N 518.038 6.112 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1OC 101366677 GWEVNUWTDRBGEY-XIHLAWMYSA-N 523.372 5.848 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101370692 NYOWNEARVPNAMF-PMERELPUSA-N 542.632 5.984 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378681 NAUFFUXODUNWKW-MGBGTMOVSA-N 560.650 7.190 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381813 IHXYWBVWLRUJIJ-JGCGQSQUSA-N 532.596 6.031 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389221 PLDQQZHCXSABPG-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)oc2cc(Br)ccc12 101394150 LSGYJLFDISPQLW-QHCPKHFHSA-N 580.232 6.704 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612111 DKMXQCCGBFJBCC-OKCVXOCRSA-N 555.245 6.690 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 101697602 FJGVRXCQXZTIKK-UUKFLEPGSA-N 547.991 6.025 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 101734100 RUBXGJCLEKRFDI-CPNJWEJPSA-N 543.403 5.973 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 102932930 HUAPJNKZBFTMKY-MFOYZWKCSA-N 591.245 7.187 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806192 PHRNSOUUOISSEG-IBBHUPRXSA-N 606.060 7.164 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 103879268 BYUVGBAUTWWDCW-RPPGKUMJSA-N 573.197 6.209 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2Br)cc1Br 128737630 QPFXGJVOHBLILZ-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 128882317 BVUARBKCVFJORS-GFCCVEGCSA-N 533.905 6.919 50 10 KKGE C[C@@H]1CC[C@@H](C)Oc2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(cccc2P(c2ccccc2)c2ccccc2)O1 145054469 QZHCPYVEVLIKMR-ROJLCIKYSA-N 636.712 8.198 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc(Br)cc1Cl 150388795 OYVPJRLTYYEBSO-UHFFFAOYSA-N 680.600 5.260 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 150483462 BJAPVSZUVIXBKQ-NDEPHWFRSA-N 633.940 8.878 50 10 KKGE Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(C=O)CS[C@H]23)ns1 163719868 LNDYUBQJFIMLCX-DGAOFQHCSA-N 806.926 6.019 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 205780410 NXGPQJJYDCMLHY-UPKGHWAZSA-N 652.704 5.002 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 207295735 JLMKRSZPONTSPN-SZCBAIQASA-N 544.604 5.708 50 10 KKGE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@@H](OC(=O)CCl)[C@H](COC(c5ccccc5)(c5ccc(OC)cc5)c5ccc(OC)cc5)O4)c(=O)nc3o2)cc1 207824811 YURWKDZGGNYOEA-AEKUSUEZSA-N 777.314 8.853 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214276173 AHQHNEWKLZPLNG-QQXSKIMKSA-N 530.584 5.349 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2cc(Br)ccc2I)s1 232511969 OHMZMZHGALKYHQ-CQSZACIVSA-N 514.064 6.897 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 254290423 MAIKGBHVJKDTPG-DOGBGZPQSA-N 583.560 5.260 50 10 KKGE CN(C)c1ccc(C=Nc2nnc(SSc3nnc(N=Cc4ccc(N(C)C)cc4)s3)s2)cc1 254399969 XXFJGCVUYUZHKG-UHFFFAOYSA-N 526.742 5.822 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232449 RGULCXDJBDOAKJ-KZCPIPFQSA-N 635.352 5.642 50 10 KKGE in-vitro CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1 1084040157 LAFGNMRNBJCRQR-UHFFFAOYSA-N 574.772 6.087 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084056417 BAAFMPLRDZNVOQ-CAOOACKPSA-N 606.101 7.515 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)cc(Br)c2O)cc1 1084161536 XSJBJFIDRSDFDS-UHFFFAOYSA-N 508.803 6.338 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084239637 SKDUSTUQOPVVNX-QFIPXVFZSA-N 521.828 6.198 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(I)cc1 1084381790 TUGXLRWQFWMIHF-UHFFFAOYSA-N 520.823 6.391 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)cc1 1084473501 YRLKNOGESUUERO-UHFFFAOYSA-N 549.096 5.786 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1 1084516171 BJZVXCUTLWCHSJ-UHFFFAOYSA-N 609.546 5.519 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 1084648639 ZLDIOZUYKFZQIH-HOTGVXAUSA-N 596.298 6.135 50 10 KKGE COc1ccc2c(c1)C(=NNC(=O)CCCCCCCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 1772719833 AIAPVNKUHPFFBI-UHFFFAOYSA-N 688.870 5.951 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747428 HVYPMJIBNREMJB-UHFFFAOYSA-N 534.878 5.891 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747817 KTLILVPNPBCBHL-UHFFFAOYSA-N 504.801 6.579 50 10 KKGE CCOC(=O)C[C@@](O)(CC(=O)N(C)C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)OCC 1848433239 PCOZIZLWPQTCSP-FKAPRUDGSA-N 625.952 6.229 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665559 ZODHPXNJFNZLJV-JCFKKHOKSA-N 597.722 9.946 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 1865682433 OCYJPTSBUJQOCL-HXUWFJFHSA-N 515.322 6.628 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCCc1ccccc1 1865688089 IXLOJPDQSHYPOH-VWLOTQADSA-N 564.539 5.938 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690345 OZDRLLJLYXRQKQ-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865693025 QTPYYOVNWBMLSB-DEOSSOPVSA-N 569.475 6.191 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865693129 LUFMZCGYRWOSKS-VWLOTQADSA-N 508.578 5.563 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865693453 VTXRRBVKGDDABD-SANMLTNESA-N 573.491 6.756 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865694370 UGPPTCGSWLHXHN-VWLOTQADSA-N 564.539 6.285 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696150 XPYOADLPQXPIOE-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700845 FWVOGGSTYGOYCP-XMMPIXPASA-N 563.441 6.149 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701072 KZQFEPNBTLTKQC-IBGZPJMESA-N 544.247 5.333 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1865704696 CDDLDGWYMRNMAK-AREMUKBSSA-N 561.425 5.993 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865708771 FTGPGRXIAOQILN-QHCPKHFHSA-N 547.398 5.859 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714161 FHCWOHDXWJSBGZ-QHCPKHFHSA-N 547.840 6.241 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Cl)c3)sc2c1 1866130081 ZJOKPGLQVJQNOD-SFQUDFHCSA-N 503.049 5.306 50 10 KKGE CC[C@](C)(NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046822 RMDUYSGRMOUBOW-IDISGSTGSA-N 535.695 5.237 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867132347 RDOPNTWIYOIZSL-FIBWVYCGSA-N 587.717 7.117 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)n2)c1 1868505604 JUXPZOPLSFUTQH-NDEPHWFRSA-N 535.717 8.108 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F 1872729399 HZQOLHHBXNRJDV-OVCLIPMQSA-N 511.605 8.192 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)c(OC)c3)n2)cc1 1872753395 VCRINJHSVLJLTF-ZKUDEMOXSA-N 504.652 7.683 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c(OCC)c1 1872755478 PSEFXDVURRDYRX-BZZOAKBMSA-N 505.640 6.391 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCC(=O)N(CC)CC 1872791228 COHAAMSEALSVBN-XQNSMLJCSA-N 511.647 6.673 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCc1ccccc1C 1872795331 ZNPXLNCBNDCWHU-MFKUBSTISA-N 510.659 7.786 50 10 KKGE Cc1csc([C@@H](Br)c2sc(Cl)cc2I)c1Br 1900923842 FKWPNTIRDFIJLA-QMMMGPOBSA-N 512.457 6.623 50 10 KKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915177665 XMUNGYUPHKEQKZ-LJQANCHMSA-N 502.088 6.387 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)s1 1922894946 PWSJJJRSQCTHRU-JTQLQIEISA-N 568.748 7.282 50 10 KKGE CCC(CC)(CC)[C@@H](Br)c1c(Br)sc(Br)c1Br 2011188964 SIGSWMJWPJECQT-VIFPVBQESA-N 511.943 7.688 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 2017383916 HPSJNBZSLIJXOY-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@H]2C2CC2)c1Br 2085494983 OOEZHQXWFKIABY-OKTBNZSVSA-N 566.751 7.219 50 10 KKGE Cl[C@H](Cc1ncccc1Br)c1ccc(Br)cc1I 2086149870 TUSXUBGLSSLCFV-LLVKDONJSA-N 501.387 5.734 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cccc(Br)c1Br 2117890337 GLIMRWOJMAFHPJ-JTQLQIEISA-N 503.016 5.325 50 10 KKGE C[C@@H]1C[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141468901 OZOZAXQZZWLWJH-HHSDFAELSA-N 540.315 6.832 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2201874726 HWAULSCMFZEXSM-RMUHFYJVSA-N 527.525 5.577 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CCC3(CC2)CC3)c1Br 2206395923 RHNWDIJOOWNREE-GFCCVEGCSA-N 594.805 8.143 50 10 KKGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398770 YTIXMZUOAXZLGL-CMOFIFEBSA-N 616.789 5.463 50 10 KKGE CC1(C)OCCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401673 YUVSHESLDGMJOW-CPCISQLKSA-N 598.793 7.378 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2206410079 VAXMQYZXGNDNKN-ZDUSSCGKSA-N 676.060 8.590 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)s1 2224784817 YZGRJVBLZDLYIH-JTQLQIEISA-N 553.961 7.118 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2225614942 AYUWSDCDIZRQQM-LBPRGKRZSA-N 580.709 7.360 50 10 KKGE Clc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2277960147 YSKRRMFTSSHNNT-ZDUSSCGKSA-N 532.295 7.306 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1F 2294147009 UNCAESKUJKFVGC-UHFFFAOYSA-N 519.787 7.309 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)c1 2294288623 FMZVRATVONTMKT-UHFFFAOYSA-N 506.942 5.570 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296507064 RJRPPIXSTZNHKZ-XMMPIXPASA-N 522.457 6.675 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(SC(F)F)cc3)o2)sc2c1CCCC2 2296833286 UDDPPHTTWFZJJQ-UHFFFAOYSA-N 556.656 7.704 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Br)cc1 2313518072 DTYFFNWENACLMO-UHFFFAOYSA-N 631.308 7.194 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 2313521373 JLUDZBPJIJSMCY-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3F)c(I)c2)cc1 2313568216 PRIFVARRXPEHJQ-UHFFFAOYSA-N 512.322 5.863 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1 2313571238 QMWGIIITAKNITE-UHFFFAOYSA-N 595.118 7.952 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314594084 YWCYXIRDUPYSJJ-QHCPKHFHSA-N 538.456 5.745 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314617771 AKAMXKLYLCMGJJ-UHFFFAOYSA-N 579.056 6.010 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314620044 JSKOTPIHFKTKIG-UHFFFAOYSA-N 604.638 5.803 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccccc1Br 2314634455 UOZUDFNRYDOXOQ-DEOSSOPVSA-N 507.771 5.939 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)cc1 2331232515 DMWWEGGJFMSKKE-UHFFFAOYSA-N 509.587 7.539 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 2331242643 XBWMMRADXYUSRN-FQEVSTJZSA-N 503.624 5.798 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414232 PNGNWPQDSRQKLF-UHFFFAOYSA-N 505.042 8.774 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCc1ccc(C)cc1 2331432143 URSWYPAFZMLUIQ-UHFFFAOYSA-N 517.448 7.533 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2333277768 HAYVDHBKYABBBI-MELAVZCNSA-N 645.174 11.764 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335356575 SBOUPJWNLHCEFQ-JTQLQIEISA-N 511.863 7.512 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cccc(Br)c2Cl)c1Br 2362225563 QOWVQFZKESAMNE-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE C[C@]12C[C@H](C1)[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362913073 QAPFGBTZTFURHR-AXOKYAICSA-N 596.777 6.988 50 10 KKGE COc1ccc(OC)c(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 6924464 ILRUSPPMYBZLTN-TXNBCWFRSA-N 502.634 6.213 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655182 CUXNJGQFUOXIQX-HSZRJFAPSA-N 501.753 5.849 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCC(C)C 38684189 JLDVXSSBSRWMJC-AREMUKBSSA-N 515.522 5.076 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 40911052 WVLBUULFICNLRE-OGLMXYFKSA-N 519.480 6.243 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 58894019 DPVNRSOFSNXGNJ-AWLRXGSOSA-N 512.606 5.790 50 10 KKGE Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 59680082 SGONUMPSQLQSCK-BIZUNTBRSA-N 503.558 6.483 50 10 KKGE CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)NC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 97997012 HHBJKCPXKOXLTO-AYCUJKSCSA-N 571.850 9.218 50 10 KKGE COCCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1)C(=O)C(C)(C)CCl 98017588 QTLWIQDRUXZNIG-UHFFFAOYSA-N 542.095 5.334 50 10 KKGE CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100194959 RFSBNTXTJKRNTR-UHFFFAOYSA-N 601.089 5.366 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100210168 MVKKDAQZQFOXAF-UHFFFAOYSA-N 552.469 5.861 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100232074 XLBPLBIPNCCTNX-GELAAVBKSA-N 555.425 5.119 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 100452331 HVEXSHPCBDOBOA-HWSJQMDSSA-N 590.268 5.483 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244602 VXIUXPVKZVDXHN-RKZIHRPTSA-N 524.429 6.067 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245730 FRRZLOYCOAPVAQ-IEQIIXMPSA-N 518.038 6.112 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246516 LSVLCNKKCUFYLS-DTDIEQIPSA-N 539.701 7.007 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 101374004 IDFYOJQNTGVESW-SLQAJWMNSA-N 546.595 5.994 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCC(C)C 101374431 YIAVRWAKAMBXJL-NDEPHWFRSA-N 534.996 5.586 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 101375638 ARENDTRLYADDDV-LJAQVGFWSA-N 557.603 6.390 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379589 RECDEFAHCSJEQB-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379652 UWMZDDWSMVDFSM-YQSCABMFSA-N 549.026 7.064 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387043 KVBLTGMZJGVDIN-YTTGMZPUSA-N 566.585 5.924 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1Cl 101388299 UEMGUNOPLTZYEF-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)oc2c1 101398710 AMAYVRHJMOSMBQ-YTTGMZPUSA-N 574.608 7.514 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101400001 KCNYQOXJHLSPDH-MGBGTMOVSA-N 604.634 7.604 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(C)c21 101593834 ILPVESWIHYJHRN-PARHTJLUSA-N 505.578 7.035 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 102262603 SJPHIPRGUZIFKO-APSNUPSMSA-N 536.640 7.534 50 10 KKGE Cc1ccc(C)c(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1 102780342 FZTNSNQBOTUCLA-ITGWPROISA-N 608.163 7.851 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103739951 UZSROFGJHSTTHE-IOXBOXJCSA-N 581.696 6.907 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 103796380 OJZXWHWGJBMGKC-GUBAARJWSA-N 600.675 7.441 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 150382895 SIIHDJKOYUXCIM-LKHJKXADSA-N 709.149 6.746 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150388651 LCDFOTIASOMNNE-UHFFFAOYSA-N 636.366 5.064 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150462475 ATVWJNNBWWFHEJ-MUUNZHRXSA-N 647.511 8.372 50 10 KKGE C=C1[C@@H](O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 203584130 IWBOGWSNSAKETH-LKOMEEOBSA-N 624.897 7.877 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205777972 MRFSKLUHCNKHJS-AWUWXFTQSA-N 618.715 5.245 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OCC)cc1 206414467 IDDKYOFQPIJIPE-XLNRJJMWSA-N 518.635 6.715 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C2=O)cc1OC 214372597 METWOBZVBDZUFQ-GTWSWNCMSA-N 616.718 6.487 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N=Cc2ccccc2)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1Cl 252607044 GXRNEWWKKXIVFJ-MUUNZHRXSA-N 593.564 9.536 50 10 KKGE C=CCc1cccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1O 254302691 MATUNPAYUGCVEF-HXUWFJFHSA-N 652.562 5.857 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 254742859 YTVGDQMPQPEOCU-UHFFFAOYSA-N 546.718 5.666 50 10 KKGE N#C[C@@H](C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc2ccccc2cc1O)c1nc2ccccc2s1 254849339 QYQHZJUZIYQAPN-DEOSSOPVSA-N 592.637 6.265 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc(-c3ccc(C#N)cc3)cc1)[C@H]2Br 256019261 QZBYJSUZNUZQJF-TZYHBYERSA-N 582.130 6.816 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CCl)[C@H](c2cc(Br)ccc2I)C1 382707106 FTBUDUXVFSXQKQ-GXFFZTMASA-N 500.602 5.243 50 10 KKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2Br)c(Br)c1 705448771 WLZRTDGDUCCNKD-LLVKDONJSA-N 533.905 6.919 50 10 KKGE Clc1cc([C@@H](Br)c2scc(Br)c2Br)c(Cl)c(Cl)c1Cl 707817032 XNLPOVCITGILBJ-ZCFIWIBFSA-N 548.736 8.371 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721602642 LCOCBMMVJUJYOK-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE C[C@H](CBr)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721623852 VPHLYMYYGTWUGN-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725381786 ZPURHUWLYLWDMH-UHFFFAOYSA-N 542.919 8.111 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817664 WUWBJKZWDLYUSB-SAEUYMBFSA-N 684.943 5.808 50 10 KKGE O=C(/C=C\c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1083953803 ZGHWQCQGIIIMCQ-ZZUJFFNOSA-N 568.427 6.084 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1 1084189036 HDYLROOZWYGYED-UHFFFAOYSA-N 526.445 5.801 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccc([N+](=O)[O-])c3)cc2)c2ccc(C)cc2)cc1Br 1084398424 GCJMHIONYJTOBS-UHFFFAOYSA-N 651.539 6.224 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084424282 AOEXYVXYHSNFOM-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 1084438716 SKUKWKAWTZLNMN-WSDLNYQXSA-N 505.412 6.508 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084493086 ZCJXDAGVTBKNDB-UHFFFAOYSA-N 542.705 5.095 50 10 KKGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1084644967 GOJOBQLIRXGMEO-UHFFFAOYSA-N 602.034 6.283 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084657355 LMCGWKXNQTUIPN-LZYBPNLTSA-N 672.100 7.183 50 10 KKGE NC(=O)NC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1615945204 VZFFMSRFEDWKOA-VKHMYHEASA-N 646.079 5.858 50 10 KKGE C=CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718964 YMEQWZSXAKLTDG-OFPRPTJSSA-N 556.855 5.233 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 1772719728 QICQVRBTEWSIGY-UHFFFAOYSA-N 720.823 7.254 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744448 XNTHIAXRIFITHX-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Cl)c1 1772755150 QAAGNELYSOVGDS-UHFFFAOYSA-N 524.067 6.294 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1c(Cl)cccc1Cl 1772755680 OIODPMWIFQELSI-UHFFFAOYSA-N 580.306 6.996 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865686797 BBVSPWLMHBIHJO-NDEPHWFRSA-N 520.633 6.644 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865686923 FGFHNPLPFWNJIF-SSEXGKCCSA-N 556.622 6.354 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865688938 FXQJHKAMUHPIMI-AREMUKBSSA-N 508.578 5.563 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865692311 AVOJIQJZYWCPSD-MUUNZHRXSA-N 508.578 5.385 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701076 LBQHLIMRJWUTPM-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702594 BWEZNOBVJKTMJL-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1C 1865703254 RQVGLLAYDLALFP-AREMUKBSSA-N 578.566 6.594 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703654 YBRVEAXYXILTGO-PMERELPUSA-N 575.068 7.058 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OC(=O)c1ccccc1 1865704807 FFBLHRSSFPHFOQ-HXUWFJFHSA-N 512.488 5.004 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cccc(OC)c2OCc2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865705949 KIMIHOKTPOSCDZ-NDEPHWFRSA-N 550.659 6.329 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711694 FXTAREVTYOXCCJ-AREMUKBSSA-N 541.449 6.384 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868388340 IYKQDHISTGDBKV-UHFFFAOYSA-N 507.685 5.436 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5cccc(C)c5nc43)n2)cc1 1868528569 VSPRYKSUBCMPKW-UHFFFAOYSA-N 530.657 7.410 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)c(C)c1 1872748672 IJLZTDSQMUAEID-DAFNUICNSA-N 511.990 6.831 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 1872754640 CAFCGJPXHYFCGB-MQBSAJFPSA-N 501.608 5.939 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OCC)c1 1872755627 XGOVLXJAYPNKBW-BBSKCDMESA-N 503.624 6.010 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898077796 DQTUQUFOINPMIQ-IKMPGZOFSA-N 540.713 6.829 50 10 KKGE FC(F)C(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924581098 XPQFCYMKGLCEBB-VKHMYHEASA-N 513.768 6.372 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 2024293059 FRGPXZHXRKORPQ-LJQANCHMSA-N 531.107 7.645 50 10 KKGE N[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2025779222 DUTSQSGWSMNIJI-ZROIKLNDSA-N 555.728 5.910 50 10 KKGE CCC(F)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780597 VEOQKYXHMWAZHI-SECBINFHSA-N 520.231 7.062 50 10 KKGE [CH]1C=C(P(c2ccccc2)c2cccc3c2Oc2c(cccc2P(c2ccccc2)c2ccccc2)N3)C=C[CH-]1 2086897318 BSJVCQQKXGGAFH-UHFFFAOYSA-N 551.566 7.589 50 10 KKGE Cl[C@@H](c1csc(Br)c1Br)c1csc2c(Br)cccc12 2093942579 VPYRRJNSIFWKDV-LLVKDONJSA-N 501.490 7.579 50 10 KKGE Cl[C@@H](c1cc(Br)c2c(c1)CCCO2)c1csc(Br)c1Br 2150345224 FNXHIMSDDOUZFV-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE Fc1cc(Br)cc(Oc2c(I)cc(Cl)cc2I)c1CBr 2170690905 GKVINECVMXTOAC-UHFFFAOYSA-N 646.257 7.138 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 2179251825 IGGZRTUUSBDBFN-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Clc1cc(Br)cnc1COc1c(Br)cc(CBr)cc1Br 2183582018 SQYOXNKYLYGRBU-UHFFFAOYSA-N 549.282 6.496 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1C 2215944686 MJILEOSTNOKGIU-SECBINFHSA-N 523.935 7.198 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2232512069 MWHMVUOVYGLXNR-VIFPVBQESA-N 526.281 6.873 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 2235605082 QHDGVNLSNGZPAS-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2293198154 AMPKMCWIQPESNG-VWLOTQADSA-N 546.490 5.543 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198354 ZJOLYYLRFOXWMF-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2295265814 VUYPMOBUEGOBAA-LBPRGKRZSA-N 548.294 7.120 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ncc(Br)cc3Br)n2)cc1 2297321287 NKTDVGROIHUULB-UHFFFAOYSA-N 506.223 6.105 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2297488326 POXOHBUUZPEYOH-UHFFFAOYSA-N 526.474 6.210 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1 2313518178 PYGGTZSTRCIYJP-UHFFFAOYSA-N 570.281 6.962 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Br)c1O 2313571528 YJCUBJMXGMLURG-UHFFFAOYSA-N 535.019 6.168 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 2314476128 JFBOEZGFPHMHNX-PLQXJYEYSA-N 600.766 5.853 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(I)cc2)cs1 2314487595 GFQOKXMBNUFWSQ-UHFFFAOYSA-N 563.420 6.496 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2314500380 MWPUOZMJNHQBKT-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314616951 NPRNPQKMKLNCDB-UHFFFAOYSA-N 548.687 6.808 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314618955 XJQZXTKISLENMW-UHFFFAOYSA-N 571.681 6.460 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634850 VGADMCCEQVWQOG-LJAQVGFWSA-N 549.454 7.255 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646682 JDNYGDJOURATHQ-NDEPHWFRSA-N 662.768 5.562 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sccc1Br 2317396934 XISFGFBPHDSXQQ-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)cc5F)cs4)cc3C2=O)c(C)c1 2331286516 CPWLGJNKPKFMFF-UHFFFAOYSA-N 513.525 6.456 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)ccc1F 2331320346 BLMWVMOQGZPAAT-UHFFFAOYSA-N 519.601 7.717 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCC(=O)N(CC)CC 2331453653 QTCNNQLCZHPGSY-UHFFFAOYSA-N 517.695 6.818 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1Br 2365219628 JENFHEJTVZEPRB-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Cc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2cc(Br)cc3c2OCCO3)c(O)c1 33354692 QLQGBFJRKWYBFW-HOTGVXAUSA-N 535.026 5.317 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Cl)c1 38651154 AVVLRHVYFPENAT-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(Br)cc1 38651725 HTHIGVGNPXBOES-MHZLTWQESA-N 511.375 5.969 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655389 CCPGYZRBSRDIQF-VWLOTQADSA-N 509.389 6.610 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701170 OZTHYMUIVAUBNB-LJAQVGFWSA-N 522.601 7.056 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1cccc(Cl)c1 39867633 ZKDGTCPLONZKDR-UHFFFAOYSA-N 500.961 5.960 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40959819 RBXUVPAHPGBHSX-MZJWZYIUSA-N 501.808 5.773 50 10 KKGE COc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 40960837 NRQTWSMPFOFSRH-WBBAFLOHSA-N 503.382 5.507 50 10 KKGE C/C(=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 59372530 JCGDNIGBZYVJAW-IMRQLAEWSA-N 504.439 5.346 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100177639 DHQVQBPGCBIODM-LBPRGKRZSA-N 556.638 5.012 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100213674 CYBLGLZDLUVNHU-XMMPIXPASA-N 539.470 5.797 50 10 KKGE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 101035516 WLQIAWFGDWRQGH-PDGQHHTCSA-N 553.131 5.227 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101368029 HVYBTPQVNNIFQL-GDLZYMKVSA-N 559.575 5.375 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376893 ZGAMNUFYWSJTGE-NRFANRHFSA-N 560.475 5.764 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)cc2)cc1 101377064 QXHRDILFAYSJRA-WJOKGBTCSA-N 540.660 7.262 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386440 WJPQVTXGJIVMOZ-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396822 MNACKDAJXMVJKI-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101397365 LFSQQLBZHSGLQL-MUUNZHRXSA-N 587.470 7.510 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c(Br)c1 101599757 MISPMAPBYNAPOV-TURZUDJPSA-N 559.258 6.144 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccc(Cl)cc1 101680507 WXOQCYUJYNZVSR-JNWAHVGKSA-N 609.078 6.778 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 101796135 CRODRRGHMOBJHP-XQNSMLJCSA-N 533.422 5.924 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 102006589 AOEJMAGVFJRSKX-FUGGPRTCSA-N 530.657 6.161 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 103742635 JGGFWUDCQZHTAG-FNBPXTNNSA-N 522.399 5.653 50 10 KKGE COc1cccc(N/C(SCC(=O)N(c2ccccc2)C(C)C)=C(\C#N)c2nc3ccccc3s2)c1 105838507 ABEAGSCBTVJDHM-VYIQYICTSA-N 514.676 6.784 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 150382747 DITZSLRLNDZRBW-DHCNTSDESA-N 662.149 6.903 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 150382991 CVZFHENZTRSVLB-MGCJZSHXSA-N 658.249 5.578 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433821 XTYALAJBVDLAKR-GDLZYMKVSA-N 746.883 10.583 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 150463324 HVJQOUCDOFRZLQ-OGBGOWNMSA-N 632.742 5.635 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205658705 NNJGHPPFSNFJQV-QVBDUPRKSA-N 508.618 6.610 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 214345470 OZYVQZBZJVOMFT-YQYKVWLJSA-N 534.619 6.527 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Cl)s1 229519149 YQWHOXNXDCCACI-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CCCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 233240572 TWCCRQNOPYUIEO-JFUSQASVSA-N 662.869 5.210 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(Br)c(Br)s1 236038301 BPRXQKSZGIBXED-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@H](C[C@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O 248194789 OIGMHIMRSGHQEE-SBEVXQCZSA-N 926.263 6.456 50 10 KKGE O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)/C(=C\c4ccccc4O)NC(=O)c4ccccc4)nc3c2n1)/C(=C\c1ccccc1O)NC(=O)c1ccccc1 254293939 NSFMTNSQZOBLQC-VGGVOPEHSA-N 794.828 6.037 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc3ccccc3cc2O)cc1OC 254407762 VAOFWVNTRFUSPQ-UHFFFAOYSA-N 520.541 5.699 50 10 KKGE CCCCc1ccc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(CCCC)s2)s1 254677442 JDLMWHBXDKDFGM-UHFFFAOYSA-N 530.804 7.216 50 10 KKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc([N+](=O)[O-])cc1 254700294 OJFYKNIDIPFJDR-UHFFFAOYSA-N 509.638 5.524 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)cc2)cc1 254836911 VQBFTBINKCOCHW-UHFFFAOYSA-N 541.673 5.536 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 256019344 VRTJQIMVLKKORA-UQRMEHQUSA-N 520.298 7.486 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1sccc1Br 385617926 PIPIIYIFXNSTII-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C 504122204 LIPONQAUUSXPAR-YSFPZDHXSA-N 508.763 6.766 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N=[N+]=[N-] 504726392 KQJXHZRKNUECLZ-XDEIPEEUSA-N 601.902 6.130 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 575627109 MDCOYASBAZJWKP-ZJWLVSAISA-N 935.155 9.826 50 10 KKGE in-vitro CCOc1ccc([C@H](Br)c2scc(Br)c2Br)c(Br)c1 705448772 WLZRTDGDUCCNKD-NSHDSACASA-N 533.905 6.919 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)c(Cl)s2)c1I 721674073 WSGOYWXDBQQIPN-VIFPVBQESA-N 510.391 6.392 50 10 KKGE C=C(C)[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3OCOC)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F 725238062 CFUPHMCMJQFWEG-FIMLQTEQSA-N 917.279 12.198 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 725424483 BKGRUODFASUIHB-DEOSSOPVSA-N 637.312 5.995 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 1083818458 VVTDWWSTBCENLT-OZSQMNAOSA-N 752.933 8.437 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1083996723 ZHYVDHXEYHPWGE-UHFFFAOYSA-N 534.827 6.022 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 1084122004 WXBGFBRWGGSOLO-UHFFFAOYSA-N 616.017 5.924 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 1084247982 IZINUIFVIJBAMB-UHFFFAOYSA-N 550.721 7.046 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc(Br)c1 1084377204 SWKKEMMSWDOVJK-UHFFFAOYSA-N 530.491 6.810 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 1084447084 WNCYHNMHGMMEQU-XMMPIXPASA-N 535.855 6.588 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 1084525870 KLMGZRLPLYXMCS-JOCHJYFZSA-N 536.253 6.299 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084556887 SUNQFDKCZDAMEW-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084568829 BMZXHAUUZRXEKS-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CC(=O)NC[C@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2[C@@H]1C 1565535802 KGBSGBJFEOXATN-HLDJFCGTSA-N 623.616 6.746 50 10 KKGE O=[N+]([O-])c1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1CI 1614694870 QJVXNDAMHWIJJQ-RHSMWYFYSA-N 501.162 5.008 50 10 KKGE C/C(=N\NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615527129 ZYMCRPCXFFKKBN-RVASVVPHSA-N 713.835 6.991 50 10 KKGE COc1cc(C=NNC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 1772721926 IKZVEZNFENVAFC-MGPUTAFESA-N 551.879 6.824 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743595 FYQZWDCLRTZMNF-UHFFFAOYSA-N 545.231 5.836 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749964 SYICACIQYNJXOG-UHFFFAOYSA-N 522.335 5.661 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccccc1C 1772754525 XUMAQRHYULIOHE-UHFFFAOYSA-N 522.645 6.438 50 10 KKGE C=C1/C(=C\CO)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 1848349949 LKDMRCVDAOOZGO-MMDKAUPDSA-N 587.079 8.443 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCCc1ccccc1 1865687909 CXURVYQFNVNLGM-MHZLTWQESA-N 574.603 6.415 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865695724 RYARAWIHFXYDME-LJQANCHMSA-N 504.896 5.229 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1865700676 AVYFKCVHMZBCSY-HHHXNRCGSA-N 547.442 6.352 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701416 VFGBILIUVXPKMD-AREMUKBSSA-N 500.961 5.830 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703052 LTBHEIBLACDIBQ-MUUNZHRXSA-N 520.633 6.320 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703094 MWPMIPJKBKIFQQ-AREMUKBSSA-N 514.988 6.083 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865703227 QMUFQBCONUUFFN-VWLOTQADSA-N 541.479 6.604 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704511 XRKKTPHUQGIFOL-LJAQVGFWSA-N 577.482 7.148 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 1865714692 NQNLKWFLSJNFMW-DEOSSOPVSA-N 511.423 6.196 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866583738 JEPLTINCWXSKFJ-VWLOTQADSA-N 546.649 5.343 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975971 VYNKCGFUNKTPCY-LOSJGSFVSA-N 554.485 6.267 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 1872752031 JXGSKRTZUJGMNC-SGEDCAFJSA-N 519.626 6.722 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915088134 GOQVAPZPHGTMOU-LLVKDONJSA-N 501.693 5.528 50 10 KKGE Brc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922943683 WKEKTSRJJBIIQB-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccccc2I)c1Br 1924584705 BIADNBYLAMZYRO-QMMMGPOBSA-N 615.748 7.125 50 10 KKGE Brc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924584854 DFVGDYZWNZCSOD-MRVPVSSYSA-N 568.748 7.282 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)co1 1924604433 BOGVMXUHPGPZQV-ZCFIWIBFSA-N 558.709 6.875 50 10 KKGE FC1(F)C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784630 XHIXYBCWGDRREZ-WVBDSBKLSA-N 562.666 6.828 50 10 KKGE CC1(C)C[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)CO1 2041483375 RELJLDMXQBCSLJ-RQJHMYQMSA-N 525.926 6.677 50 10 KKGE COc1sc([C@H](Br)c2cc(I)ccc2F)cc1Br 2050465065 QGFHVNIHVIJZMF-LLVKDONJSA-N 505.972 5.747 50 10 KKGE CC(Cl)=CC[C@H](CC=CNC(=O)[C@H](NC(=O)C=CC=C[C@H](C)[C@@H]1CC=C(C)C(=O)O1)C(C)(C)C)O[Si](C)(C)C(C)(C)C 2060405696 AIDDXVULOZKDQT-SINPBGNNSA-N 621.335 7.471 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23CCCC2CCC3)c1Br 2063822292 QERCSCODEXNPCM-OILJVLCYSA-N 521.938 7.442 50 10 KKGE BrCc1cc(Br)c(OCc2csc(Br)c2)c(Br)c1 2084090236 QRICKTXIKAIFCB-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2097836011 WNVZASOQBDEKAQ-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE CO[C@@H]1C[C@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2141469229 SZSKLKGGQCHHPS-CCOPYSIBSA-N 582.750 6.598 50 10 KKGE Cl[C@@H](CC[C@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2141477218 NKFIWUCAQMDHLK-XCBNKYQSSA-N 540.315 6.976 50 10 KKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(OC)c1Br 2150344177 FCZQVIGGCRVQHP-SECBINFHSA-N 549.904 6.537 50 10 KKGE O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N(CCC(F)(F)F)Cc1ccccc1 2179829466 BEVACLHPBFBGAQ-UHFFFAOYSA-N 505.183 6.032 50 10 KKGE FCCOc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2189515871 ARFXFVGTEYXJFP-NSHDSACASA-N 507.444 6.712 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206393947 CWVJBUNXTOMUPS-GFCCVEGCSA-N 675.698 8.662 50 10 KKGE Cl[C@@H](c1cc2c(s1)CCC2)c1c(Br)c(Br)cc(Br)c1Br 2206404755 CCWWRBLXKURNJS-AWEZNQCLSA-N 564.362 7.615 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1Br 2218801564 WCLMDGKMUDPUTN-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2257629635 ZSPUGYHPKUQMJA-VPLCAKHXSA-N 545.938 5.295 50 10 KKGE Clc1cc([C@H](Br)c2scc(Br)c2Cl)c(Cl)c(Cl)c1Cl 2264605337 OAIKCRPUYJVOOC-LURJTMIESA-N 504.285 8.262 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 2294193151 YJNUIXANNAPMGY-UHFFFAOYSA-N 587.255 6.741 50 10 KKGE C[C@@H]1C[C@@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2312064189 VQZQUFWWDHEMCG-PLSZNQMNSA-N 522.300 7.063 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521303 FAMYDZWTRHRXQW-UHFFFAOYSA-N 560.275 6.957 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556614 FXSYPUPWAXGQJC-UHFFFAOYSA-N 552.831 6.568 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 2313738914 YGXHKETZYAPGJH-UHFFFAOYSA-N 504.373 5.948 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(O)c2ccccc2n1 2314433836 UYWBFKOLLVTWMK-UHFFFAOYSA-N 556.025 7.485 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314448855 KZJTUPACCWKNIK-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314610144 DAKNYBARJHFUTQ-UHFFFAOYSA-N 536.676 6.521 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 2314610690 LDGHFHGHDAUVRH-FQEVSTJZSA-N 543.067 6.762 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617169 SBENMQLDACMKIE-UHFFFAOYSA-N 559.582 5.291 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314618105 HJPHUPXWYMRCAG-UHFFFAOYSA-N 524.621 5.121 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640687 NFTCTSLXXADDCS-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 2314646679 JCYSHCDHJWYANH-GDLZYMKVSA-N 662.768 5.560 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1cc(Br)c(Br)s1 2314760038 CVWOQOWIMIMDOE-UHFFFAOYSA-N 580.254 5.707 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C(C)C)cc4)csc3n2)cc1OC 2320487666 QWOIDNPGDKZBOP-UHFFFAOYSA-N 522.652 5.447 50 10 KKGE CCC(=CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321346978 CLEVDATVLNPCEZ-RUZDIDTESA-N 582.495 6.330 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328824643 CFBHJHKRBVJLSU-NRFANRHFSA-N 508.446 5.962 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1C 2331362900 SMZANBCUZADBSZ-UHFFFAOYSA-N 518.551 5.213 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2333303804 ULIBCUHQNJFEFP-BSFVXNEUSA-N 580.778 7.609 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2338722241 KZGXVHQHWFFWBH-VIFPVBQESA-N 580.738 6.263 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2365595028 FTEIFHHIVKTQNP-CQSZACIVSA-N 506.392 6.744 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 6906526 HAUXSLGBIGIDFM-MFOYZWKCSA-N 542.773 6.144 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2-c2ccccc2)cc1 33358654 LXFUGOLHOKLWBI-APTWKGOFSA-N 555.748 6.786 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1OC 33721979 VYWWYQPRSBSHJJ-STZFKDTASA-N 510.059 6.901 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 33779575 QPAUPVFPBROVGY-QPQMVVSWSA-N 508.430 5.736 50 10 KKGE Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)[C@@H](Cl)c3ccccc3)[C@H](C)C2)cc2ccsc21 35844205 FDXNEFWQWVGSLM-NLFFAJNJSA-N 506.071 5.713 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38683103 AKTQDZYQTGTNQV-JRPXNJEYSA-N 526.633 6.580 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100185778 IFZUXGQYARDJOQ-UHFFFAOYSA-N 544.490 6.002 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Cl 100189825 QEFDFIUAJBTKNR-UHFFFAOYSA-N 548.659 5.130 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 100234137 BJUHNRAGDFQIJJ-QHGCQYGXSA-N 543.639 6.175 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1Cl 100238046 LMQULFHRVAOHJM-QGFINPQDSA-N 537.056 6.019 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)COc1ccc(Cl)cc1Cl 101135232 MXTWJQGDCKLMEJ-UHFFFAOYSA-N 581.887 6.892 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246280 VLVHQFQMHWVOIL-IEQIIXMPSA-N 552.483 6.766 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 101335944 GISKQEZQFBYYBQ-VFCFBJKWSA-N 538.648 5.737 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101336683 XMCRZJXRNWWUFT-UXHLAJHPSA-N 601.062 7.157 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101340670 QHUYHAWRMTXCGE-FOKLQQMPSA-N 551.401 6.513 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367563 WSOBQBDZQHYAAU-XIFFEERXSA-N 576.649 6.890 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101375339 QHORFIXLKXQTFH-TZIWLTJVSA-N 607.534 8.188 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381310 AJDUBDVIXLVUPA-JGCGQSQUSA-N 615.513 8.189 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383119 SJIKVKRVYYIHMM-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384063 LMRRHQMVJFHXKG-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1Cl 101395160 YHGPZJSPWNEDEC-RUZDIDTESA-N 567.425 6.396 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccccc1Cl 101692151 XCWXGNRELKMDQR-XODNFHPESA-N 531.834 5.836 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)ccc1OCc1ccc(C)cc1 103563214 NEGQHMUNHPVGEC-FABQOPTDSA-N 572.061 6.326 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 150411025 XHSLINKMZHEOJX-KBHBMEFTSA-N 676.795 5.889 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 150417813 CSPIMJTXDYPTNM-UHFFFAOYSA-N 641.154 5.744 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N\NC(=O)COc2ccc(Cl)cc2Br)c1 150422314 CMEMHHXJYKYLGM-FXMZOFOKSA-N 659.556 6.684 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 150475277 AJDKPNBBJFYOEA-KRWDZBQOSA-N 639.533 8.463 50 10 KKGE COc1cc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(OC)cc1Cl 150485157 PARYWDSEMCOFEU-LYCWDSHMSA-N 674.606 7.904 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 150498671 UZCPTWBPJQJKKO-DPWJMMOYSA-N 685.880 8.753 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150574317 OTRHCJISBZKWOJ-ROPCREHHSA-N 632.725 7.971 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)c2ccc(C)cc2)cc1Br 164602409 JKPKNUPVCBVKQH-KCSSXMTESA-N 626.960 6.579 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205660410 CMULYUMJXZCSMP-KELAWDMXSA-N 522.645 7.000 50 10 KKGE N#C/C(C(=O)N1CCN(C(=O)c2cccs2)CC1)=C1\SC=C(c2ccccc2)N1c1ccc(F)cc1 206545086 WAEAYTVOVSBELF-HPNDGRJYSA-N 516.623 5.159 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214378129 MYOWUOHVVMTUSH-MIXAMLLLSA-N 544.680 6.752 50 10 KKGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)c(Br)o1 252627817 SCCMNLODXFIADO-HPQPVTQXSA-N 557.242 5.672 50 10 KKGE O=C(NN=C[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@]2(F)Cl)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@@](F)(Cl)[C@]4(F)Cl)cc2)cc1 252630223 UXJICYMVFNDWNU-APUUPFHASA-N 708.367 7.841 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 254605816 BVHSQBUPZJEWHN-UHFFFAOYSA-N 741.713 5.734 50 10 KKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 254843594 CPHTYBNBKDJBEX-UHFFFAOYSA-N 608.286 6.774 50 10 KKGE CC(=NNC(=O)C(=O)NN=C(C)c1cccc(NC(=O)C2CCCCC2)c1)c1cccc(NC(=O)C2CCCCC2)c1 254897818 PGEZHLQVRFQNFG-UHFFFAOYSA-N 572.710 5.105 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C\[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)CCc1ccccc1 255981087 JKHADYMACPRLAF-OGTONKEJSA-N 596.840 8.410 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256020052 UFLQEBNPWKEUEY-VKRDWETFSA-N 698.496 7.548 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](OC(=O)c3ccccc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 575180624 SQYDVNQVPKAIHH-MNPUUQGPSA-N 590.822 5.028 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(F)c1Br 691634441 IWMXOGDINATURA-LLVKDONJSA-N 566.803 6.579 50 10 KKGE CCOc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1Br 705448028 OAYKZHLDENPAEW-LLVKDONJSA-N 533.905 6.919 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 725446658 CLSPQYYLGHOENS-XMMPIXPASA-N 501.410 5.935 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 725447470 CFAAOPUBLSNQRE-UHFFFAOYSA-N 644.389 5.965 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1083853543 LMDKQMPXTIQZOW-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccc(C)cc1 1083899311 IVZZCGYATCNREZ-UHFFFAOYSA-N 572.731 5.682 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1C 1083900677 DKKGEBGGEPSSTG-UHFFFAOYSA-N 577.150 5.748 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084128783 CMRGWCAWDLKRDC-UHFFFAOYSA-N 521.314 5.252 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084146525 WNTMZQOGTDCYPP-UHFFFAOYSA-N 677.426 9.264 50 10 KKGE CCCCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 1084353749 WPMZLPLBPAJPIH-UHFFFAOYSA-N 518.249 6.454 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 1084426438 FKHIKTJBBVJYPY-UHFFFAOYSA-N 524.964 7.038 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Br)c1 1084459221 ZVONDHZEIZTACC-HSZRJFAPSA-N 560.286 6.063 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=Cc1ccco1 1565517422 MKKBQGZFFXADBU-JOCHJYFZSA-N 559.410 5.007 50 10 KKGE COC(=O)[C@]1(C)CC2=C3C=C[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]54C)[C@]3(C)CC[C@]2(C)/C(=N\NC(N)=O)C1 1565536902 UEHPPJREDWXIJQ-KNDMGABLSA-N 581.798 6.447 50 10 KKGE CN(C)P1(=O)N(c2cc(Cl)cc(Cl)c2)P(=O)(N(C)C)N1c1cc(Cl)cc(Cl)c1 1615216771 JUZHOFANAUTQKT-UHFFFAOYSA-N 502.106 6.966 50 10 KKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772747657 FEYAEDKCVBSYIZ-UHFFFAOYSA-N 506.602 6.358 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCc5ccc6c(c5)OCO6)c(C)c43)coc2c1 1772751581 GBLRNTQYTYBSPR-UHFFFAOYSA-N 527.577 5.009 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cc(C)c(Cl)c(C)c5)c(C)c43)coc2c1 1772751980 OZWZHRRIPCHIIB-UHFFFAOYSA-N 533.024 6.840 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683276 BXQPCBXNMBKBFZ-HSZRJFAPSA-N 549.414 5.846 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689038 IJRIZJBDSRPZGB-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694885 DTIDJPAICTWPCY-SANMLTNESA-N 575.894 7.038 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695024 HZZICJWZKPPXAB-MUUNZHRXSA-N 575.496 6.915 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695866 ABALDCDYDOLAMK-AREMUKBSSA-N 508.578 5.562 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701226 PJVPHDCGVCGOFS-HSZRJFAPSA-N 514.969 5.437 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1 1865703136 NTYJHKSOGFIDGJ-DEOSSOPVSA-N 534.513 6.195 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705497 WZUKEBBZZFHHBS-LJAQVGFWSA-N 542.595 6.034 50 10 KKGE CC/C(=C\C(=O)N[C@@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115728 MLQLRVQQGQBOIQ-LXGWOEDASA-N 516.461 5.748 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CCS2)cc1 1868320605 LWCDPPKQSRDSOC-SANMLTNESA-N 525.703 7.072 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4OC)cs3)cc2C1=O 1872751482 JYYDCHUQGREDPH-NOAXNCOGSA-N 515.635 6.461 50 10 KKGE CC(C)(C)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924601312 WVHDBIFDDTVNDS-LBPRGKRZSA-N 501.509 7.661 50 10 KKGE Cn1ncc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924608020 CCHBDXCZFQAAFX-LURJTMIESA-N 528.289 5.860 50 10 KKGE Brc1scnc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924612273 KXNDPPTXEXMGOU-GSVOUGTGSA-N 575.765 6.739 50 10 KKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)CCN1C(=O)OC(C)(C)C 1999515625 SWYQDOCZJNSMII-UHFFFAOYSA-N 506.526 5.817 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2050468185 UDJOZRAPBIRLJY-QMMMGPOBSA-N 589.287 7.155 50 10 KKGE Cc1nc(I)c(I)n1-c1cc(Br)cc(F)c1CCl 2051132003 UBIDUTSRGCKXBW-UHFFFAOYSA-N 555.354 5.030 50 10 KKGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=CC(Br)=Cc1ccccc1 2053464721 GINTZFDXWHQEJK-UHFFFAOYSA-N 539.933 6.114 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(F)cc1 2053589423 IHEICOGHKDEOTD-UHFFFAOYSA-N 573.318 5.472 50 10 KKGE C[C@@H]1CCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495122 HQMJMNRKWXVBMY-FRSIUCEKSA-N 524.316 7.453 50 10 KKGE CN(C[C@@H]1CCCCN1Cc1ccccc1)c1c(CBr)ccc(Br)c1Cl 2098115536 BSCKDLZXFGGJPU-SFHVURJKSA-N 500.706 6.488 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)c(F)c1Cl 2136961834 PLGQSLLYRFXLJJ-SECBINFHSA-N 515.826 7.295 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 2138847887 BJKIMCLCVAFZLQ-CQSZACIVSA-N 576.746 7.529 50 10 KKGE COC[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2141165837 QWSGMHWBJQYMIK-UWJYBYFXSA-N 539.909 5.667 50 10 KKGE C[C@@H]1Cc2cc([C@H](Cl)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146617048 VSXFLCLLTNCWPM-INWYIAFRSA-N 501.465 6.687 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@H]1C 2206406432 ZVTQYTSLXDWHDF-PAQHHBPASA-N 554.342 7.076 50 10 KKGE Clc1cc(CC(CBr)(CBr)c2ccccc2)ccc1I 2208037661 YOAMPSSUSVBKNT-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE CCc1cc([C@H](Br)c2c(F)cccc2I)sc1Br 2255980579 ORBUPXGWZDZGLT-LBPRGKRZSA-N 504.000 6.301 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)cc1I 2277956178 POKWRRRNMGSZDD-CYBMUJFWSA-N 579.295 7.101 50 10 KKGE Clc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1I 2277962806 LYVCRWSBXDNJCK-GFCCVEGCSA-N 534.844 6.992 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963744 XXGHIPMSXFOFHR-ZDUSSCGKSA-N 534.844 6.992 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)sc1C 2295264285 DALVTDOXFJGAOP-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296038211 OYBXIVBAXLODAN-DEOSSOPVSA-N 522.457 6.621 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 2296348746 ZJDGUZDMDCTXCK-UHFFFAOYSA-N 535.456 6.814 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2296506747 CIKGZUDFGSJXDF-RUZDIDTESA-N 511.603 5.237 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N1CCCCC1 2296706833 YBPYZQSRJXJPRA-UHFFFAOYSA-N 506.581 6.177 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 2296940704 CCPNIHDSPXSAJG-UHFFFAOYSA-N 578.492 5.582 50 10 KKGE O=C(Nc1ccccc1[N+](=O)[O-])C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2297498320 OETGACAJOOQJSH-UHFFFAOYSA-N 587.572 6.346 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccccc2I)c1 2299497110 WPOBFDCNCCXXAD-FQEVSTJZSA-N 558.051 7.117 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313556360 XBFZEKMOTOGYDT-UHFFFAOYSA-N 588.458 5.872 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1 2313568194 SWUBNIJFODOAOE-UHFFFAOYSA-N 546.465 5.601 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c1 2314533901 UZIFJZHXMIHPGN-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2315579780 NBPCMKFRCLCVHG-JTQLQIEISA-N 501.842 5.386 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2316832261 IJNDSXRRPQNQKH-MRXNPFEDSA-N 549.488 6.615 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331362671 DQUWPIMQOBACCZ-IZHWHUGBSA-N 501.608 5.939 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccs3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331450973 YGVGVXBDFJMWEW-UHFFFAOYSA-N 513.427 7.470 50 10 KKGE CC(C)(C)CCN(CCBr)Cc1ccc(I)c(Br)c1 2349830830 DDTFJGWBBFXCEG-UHFFFAOYSA-N 503.060 5.687 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361175061 NPZCHEGHCOJBGF-DQLDELGASA-N 514.279 5.679 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(F)c1 2367453074 OFNAGXXUQOCVPP-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1scc(Br)c1Br 2380948314 ALBQBZPLLWSPNK-CYBMUJFWSA-N 545.960 7.952 50 10 KKGE C[C@@H](c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)Nc1csc2c1CCCC2 1511278 YBLCXUHDMDBXQV-QFIPXVFZSA-N 525.674 6.189 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCc1ccccc1 6906956 JTKGILYBIOKIIY-IWIPYMOSSA-N 542.616 7.721 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9873422 LCFPZUGEPYPZIB-NHCUHLMSSA-N 515.654 5.978 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1Br 14640638 JCZQYQSJFIVCFH-SFHVURJKSA-N 505.453 5.762 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665505 MBMVIUMFZMQTSQ-UHFFFAOYSA-N 511.416 5.034 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 38608027 YBOMOELJMXUYMP-TURZUDJPSA-N 520.633 6.253 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38660199 PCWXATHSUGRONS-NDEPHWFRSA-N 518.997 5.894 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c1 39858531 QNZFCULNEWFNPH-JXAWBTAJSA-N 515.367 5.412 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813432 ZMXZCCPRFAVAPW-NHNRPBERSA-N 506.946 5.211 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c1 40813484 YJEOVDIQUNFUJL-ZTKZIYFRSA-N 523.973 6.271 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2)c1cccc(C)c1 40823293 GMSUIZJNXSZABB-IBBHUPRXSA-N 521.433 5.553 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1C#N 58895288 NTGPXOBNVCJEEN-GDKBXFSLSA-N 527.621 5.237 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 59116943 CYWPDXCQAQMIFQ-CPNJWEJPSA-N 511.803 6.626 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(CC)cc2Br)cc1 100154513 AIXUOXGPPBKDIM-UHFFFAOYSA-N 550.519 5.075 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 101013047 QOJPCFBLSWMJJP-IWIPYMOSSA-N 538.456 6.973 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240833 VQMCVZKCZDFAIJ-IDJUBOEBSA-N 502.039 5.645 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242452 LTEQLMKNBAVNSY-HVBJHMBASA-N 507.999 5.074 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101293529 QVMKSGJOPWHBQD-HKBQPEDESA-N 530.580 6.268 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101333580 BNRBMRXFHDVONE-RUMWWMSVSA-N 588.683 7.430 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1OC 101371550 FRANIIMDPOASBT-SSEXGKCCSA-N 540.616 6.266 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101375071 VFKMQALHJLUEOL-WRGVRERRSA-N 560.622 6.240 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc6ccccc56)ccc43)cc2)cc1 101378767 VHOCMXDGGVXPLU-MGBGTMOVSA-N 538.603 7.165 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380552 SYHRGZMFLJLJNR-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(Br)c1 101391301 JZHBXXMKTBKOOG-NRFANRHFSA-N 572.267 7.408 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)oc2ccc(Br)cc12 101394359 FKLBQJUSJCJWQC-QFIPXVFZSA-N 570.226 7.248 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601462 LBXZXTNDMGETDH-OVVQPSECSA-N 547.780 5.569 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614721 ZYZKKEWIBFGUQN-IAFPVACESA-N 551.434 5.698 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 101619708 ORGZKTWWBXSOEB-JJNGWGCYSA-N 541.648 6.782 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccccc1C 101712836 HHHNWRFDCLEMON-OKCVXOCRSA-N 539.470 6.172 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1OC 101827245 ANXQWPRZYDLBEV-YZSQISJMSA-N 572.727 7.594 50 10 KKGE Cc1ccc([N+](=O)[O-])cc1N=P(/C=C1\N(C)c2ccccc2C1(C)C)(c1ccccc1)c1ccccc1 102908588 ZYADIEXFSJKNTJ-SWKFRHMKSA-N 507.574 7.656 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806337 MYDHYCOCBWXJQT-BRDUYVSMSA-N 601.666 5.505 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105059617 ZNGGLORPQGPAHC-DPNNOFEESA-N 541.438 7.189 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150420242 GQEDOYWBRWHOLC-UHFFFAOYSA-N 688.236 5.877 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1 163795051 DBOKAZGOIKGISL-FJEPWZHXSA-N 625.260 7.296 50 10 KKGE CC(C)(C)[Si](O[C@@H]1CC=C(c2ccc(Cl)c(Cl)c2)c2ccccc21)(c1ccccc1)c1ccccc1 195879497 WMIWRULBHIQPJO-WJOKGBTCSA-N 529.583 8.447 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1OC 214374981 LVBRAIXOSMQWPF-QQXSKIMKSA-N 552.627 5.435 50 10 KKGE Cc1c(C=NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccn2c1C(=O)c1ccc(F)cc1 254520399 FDIZELBEOWBZGQ-UHFFFAOYSA-N 510.544 5.928 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2c(O)ccc3ccccc23)n1-c1ccccc1 254703680 IXUQZNYJJSRDKV-HXUWFJFHSA-N 571.106 6.331 50 10 KKGE COC(=O)[C@H](C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 575234416 JKMFKRMCPAVZBE-WNJJXGMVSA-O 635.335 6.100 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 575626736 BCNXKLAHNOFABR-VXIGVFIJSA-N 621.035 11.254 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)(c1ccccc1)c1ccccc1 575626878 FTCJOOMHYRJOAM-GJZXTFMBSA-N 590.792 6.407 50 10 KKGE in-vitro Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c1C 725417371 HKUYOWBGFQUZAN-UHFFFAOYSA-N 546.534 7.530 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)[C@@H](O)c1ccccc1 1083933988 IUXZTFYAXUTQET-PMERELPUSA-N 559.651 5.939 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Br)cc1 1083951738 IXFBTJKPEKPHBI-UHFFFAOYSA-N 698.149 7.304 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1 1084068588 KATSWHBYDQMZDT-HZHRSRAPSA-N 564.455 5.822 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084119171 CYPOGAHVJPPKIU-UHFFFAOYSA-N 603.701 5.282 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084151335 JVADWJZFZZLSPL-VWLOTQADSA-N 647.466 5.540 50 10 KKGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1Cl 1084212059 AJJOGBBUYANOQR-UHFFFAOYSA-N 629.522 5.383 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084326204 AYVHCPPAYYXUBC-UHFFFAOYSA-N 613.262 6.937 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084475153 XGJIPODRLPBIIF-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 1084617463 AAMTWAXMPMLZCD-UHFFFAOYSA-N 688.804 7.027 50 10 KKGE Cc1ccc(C(=O)N(N=Nc2ccc(I)cc2)c2ccc(I)cc2)cc1 1084648221 LVNMGAYTIULESR-UHFFFAOYSA-N 567.168 6.550 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752285 MZWMBRSVBFBEAL-UHFFFAOYSA-N 533.209 5.202 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865688694 YLUXNLHBRYHIHG-INIZCTEOSA-N 555.738 5.629 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690600 WONHDEYNPDDGJY-HSZRJFAPSA-N 520.486 5.886 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865691359 PZQVUZIZIFWZIU-OAQYLSRUSA-N 516.495 5.495 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865691672 YGXYGGIHBDWANR-RUZDIDTESA-N 529.427 6.688 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694931 FXGLGUXQNFFZHE-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703744 DSJIYSGUMMUKPD-JOCHJYFZSA-N 533.371 5.771 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704664 BFIYYOSCMSOTCK-HHHXNRCGSA-N 541.051 6.592 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705766 FFNAAFMTFZSEAS-RUZDIDTESA-N 507.550 5.350 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711514 AILITARBCOEHJW-RUZDIDTESA-N 544.995 5.445 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866599635 ODTZMUGCWRIVQR-MHZLTWQESA-N 559.692 5.186 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866651944 DWEGAKTXHZCMJL-AREMUKBSSA-N 510.619 5.440 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866756484 HEZZAFACIVFHSC-SSEXGKCCSA-N 587.717 7.117 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c(C(C)(C)C)c1 1872759727 XSKVXWKNKDMBTC-UZYVYHOESA-N 510.612 6.014 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1c(Cl)cccc1Cl 1872790963 NWSHGQJFCSKMLO-UDWIEESQSA-N 521.469 8.386 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 1872792893 WJYVVZMYMRYWES-VCHYOVAHSA-N 513.457 7.060 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872793629 KNQLQJGOOIPMMV-CIAFOILYSA-N 521.469 8.386 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)n1 2060856038 NIEWREYJGPLNOI-ZCFIWIBFSA-N 586.767 6.499 50 10 KKGE O=C(Nc1c(Br)cc(S(F)(F)(F)(F)F)cc1Br)OCc1ccccc1 2081068572 FPKGTKIBTPYCFY-UHFFFAOYSA-N 511.104 7.618 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Br 2085493601 DPTTXGXNYMYKQC-MQNJHXBQSA-N 569.755 6.171 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Br 2141470783 KTWKKXHIHUGIFA-LLVKDONJSA-N 661.671 8.353 50 10 KKGE CC(C)([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCO1 2206395537 OYQVSMOZMAOAOT-NOZJJQNGSA-N 554.342 7.222 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CC1(Br)Br 2225702739 ZEBVPLZXRGBZOH-ZCFIWIBFSA-N 536.287 5.806 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232509596 DBHZVUOVLNENKI-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE C[C@H]1C[C@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2234071170 WIENLJBTRPMQRU-HOCLYGCPSA-N 511.689 6.178 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC2(CC(F)(F)C2)C1 2239246734 AFSSFVHYXZMKOC-MRVPVSSYSA-N 557.918 7.687 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC12CCC2 2266132906 ISJGPDHKUIBELT-CPFSXVBKSA-N 536.327 7.597 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c(C)c1F 2279146987 PRVMHSQLKOQIME-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 2296544515 UCVBISFKEZDKNY-UHFFFAOYSA-N 521.360 5.656 50 10 KKGE CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 2297511224 RCDLHDVGEUGMHE-UHFFFAOYSA-N 519.582 6.329 50 10 KKGE C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)CNc2cc(Br)c(Br)cc2Br)C1 2297710210 GIPRSKQETOLFGR-GFCCVEGCSA-N 534.090 5.791 50 10 KKGE F[C@H]1C[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2307189828 OHHWRCHFKJPJMZ-ZDEZVYLVSA-N 558.703 6.921 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(I)cc1 2313570734 FAYPVHCRGSNMQG-UHFFFAOYSA-N 633.313 7.850 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2ccccc2c1 2313571121 NTMSNERKPGVBIT-UHFFFAOYSA-N 582.281 8.042 50 10 KKGE N#CC(=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457358 GIPZHRAENXVITD-UHFFFAOYSA-N 528.771 7.344 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 2314571703 KNUSWDJAYOXVNH-IBGZPJMESA-N 530.646 6.183 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594033 XWCGGUNVQQSYMX-JOCHJYFZSA-N 528.417 5.338 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314618977 XPJAHXRDTJOZCH-PMERELPUSA-N 584.676 6.198 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccc(Cl)c(Cl)c1 2314736945 CQMHOAQOLHFDLK-UHFFFAOYSA-N 507.373 5.844 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)C)cc2Br)c(OC)c1 2314789562 GSTPAOWIYHGYDH-UHFFFAOYSA-N 529.431 5.389 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Br)o2)c1Br 2315449238 MJCOROHXXJPQBU-SECBINFHSA-N 526.219 6.844 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)nc(O)c2cc1OC 2331044487 QHXFZRUFJLNMCZ-UHFFFAOYSA-N 540.576 5.060 50 10 KKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 2331278793 HYNXKHLUWPHSHF-UHFFFAOYSA-N 519.264 7.560 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2331414662 XDSGEZLVGMHKHN-UHFFFAOYSA-N 500.374 6.342 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2[C@@]2(CCc4cccc(NCCSc5ccccc5)c42)CC3)c1 2333242444 GLFWXVCQNVYJPY-RWYGWLOXSA-N 611.835 9.061 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360427388 UWSYHAHOFPLPBE-LLVKDONJSA-N 509.797 7.281 50 10 KKGE CCn1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)nc1Br 2360433546 GUTZVBHEVRWSLX-JTQLQIEISA-N 509.826 6.358 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 9992533 HCEISTOVLZWOFF-RUZDIDTESA-N 513.395 5.740 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)cc1Cl 34834475 UCYPJKALRGGJEX-BKUYFWCQSA-N 519.989 5.346 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccccc6C[C@@H]5C)c(C)c43)coc2c1 40826891 LAEWZSYMLUXOKL-OLMGQCMGSA-N 509.606 5.942 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 40992993 QKHFGPIRUQZBDS-LDADJPATSA-N 519.823 5.527 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc(Cl)c1 59463002 FJXIVSPXNMMAJE-AMVVHIIESA-N 513.859 6.976 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@H]2CCC[C@H]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C 60291170 AEYODSVVEHKWAU-SRDHANCCSA-N 594.801 10.075 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 100327435 SRRSGEAOQBZVCV-KJTWNORHSA-N 547.449 6.154 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241218 CZJZRUOSKYCBPR-UZEPBSNMSA-N 518.038 5.481 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242228 YGYCKROSYOMMHW-NLTRVXJZSA-N 539.579 6.164 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OCC 101373975 GXGLLIYIQMXIMP-PMERELPUSA-N 542.632 6.490 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379600 UMUNSVJNYDTOKJ-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc(C)c1Cl 101383367 OJIBIAXRAOHTRV-WJOKGBTCSA-N 601.486 7.392 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1Cl 101385696 OMUOOZPNHJWMTK-HKBQPEDESA-N 629.065 6.391 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)c(C)c2cc1C 101391325 XMBQVFTTZORAIB-VWLOTQADSA-N 529.390 6.558 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc(OC)c1OC 101393490 IUVSCNYEDOEGPF-VWLOTQADSA-N 546.963 5.858 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 101396528 MHWMVMDESRJKKZ-SSEXGKCCSA-N 536.628 7.364 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399300 DSZPFMQWEWFRLN-JGCGQSQUSA-N 607.062 7.728 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599464 IHAVGQNZHJCDFL-QFMPWRQOSA-N 557.448 6.304 50 10 KKGE COc1ccc(/C=C\C(=O)NN(C(=O)/C=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1OC 102812718 ULJQVDZKNUMTOD-NFLUSIDLSA-N 545.617 5.122 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(=O)OCC)c1C 102924639 WVGPZSPNRUKQII-XDJHFCHBSA-N 529.643 6.829 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 102988529 PXZITMDZNUCMIR-WQRHYEAKSA-N 553.493 5.048 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 103743001 LGJQQSYKEZBXKG-VECHRTTRSA-N 522.457 6.675 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Br)c3)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 103743033 WIKUGQIWBDTKHF-FNBPXTNNSA-N 522.424 5.093 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Br)cc1 103890026 FFYFYZAINDDFRZ-CXUHLZMHSA-N 611.117 7.652 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 104993614 OXJXQFZZSXZGER-BBTNWVSFSA-N 572.492 6.765 50 10 KKGE O=C(CCCCC(=O)NNC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1sc2ccccc2c1Cl 105543843 SYFHOCHMZIEDKA-UHFFFAOYSA-N 563.488 5.205 50 10 KKGE C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)C(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 199871424 GNAPAUDDSROWCR-BQBRDZJTSA-N 732.233 11.168 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 232482749 YYGJDRAZBZBBJM-CQSZACIVSA-N 525.860 6.393 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(Br)c1 234974105 FKILCEGKTWEDHF-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1 234976319 IMRAOMPLOFTRHW-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Cc1ccccc1C(=O)Nc1ccccc1C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 252621103 MTAWFSJUJMHTLJ-UHFFFAOYSA-N 542.433 6.353 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)c2cccc3ccccc23)c(OC(=O)c2ccccc2)c1)c1ccccc1 254615939 YPWLAOOLLXTLCZ-UHFFFAOYSA-N 514.537 6.042 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)c(O)c1 254624729 QTDBKHGTXHSVPK-UHFFFAOYSA-N 544.681 5.046 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CCNC(=O)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CCNC(=O)c3ccccc3)c2c1O 254630410 JBMKKBBPNATLGD-UHFFFAOYSA-N 896.998 7.298 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1 254754216 FPSFBEBODPQTJF-UHFFFAOYSA-N 768.876 7.247 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 254828202 GYDUYCLTZHERRG-UHFFFAOYSA-N 554.323 7.201 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2OCC)cc1 254842042 ZEOQNYVLXUPZRX-UHFFFAOYSA-N 552.627 6.436 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(N=Nc6ccccc6)cc5)c(C)c43)coc2c1 256018429 IMHZCOVVXSIOSH-YZGYMBIDSA-N 573.653 8.018 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@](C)(C(=O)[C@@H]5Br)C6(C)C)cccc34)CC[C@@]1(C)C(=O)[C@@H]2Br 256019752 BPJGYKSUGQNXHG-ZPZCNVJASA-N 672.458 7.035 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]([C@H](O)CCCCCOCc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504222446 WAZIOJYYGXJHLC-VATRIRCNSA-N 616.919 8.022 50 10 KKGE in-vitro O=C(CNC(=O)OCc1ccccc1)Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c1I 504522884 MJUZLCGDQQPKNH-UHFFFAOYSA-N 786.913 5.123 50 10 KKGE in-vitro CC[Si](CC)(CC)O[C@H](CCc1ccccc1)CC[C@@H]1[C@@H](O[Si](CC)(CC)CC)C[C@@H](O[Si](CC)(CC)CC)[C@H]1C/C=C\CCCC(=O)OC(C)C 575228795 BDKOEHDXBRAVIY-QGRDBNKUSA-N 775.393 13.275 50 10 KKGE CCO/C(O)=C(/C#N)[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145741 ZGOAHPRMVIRWKL-ZIIJFCCYSA-O 527.826 5.683 50 10 KKGE Fc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Br 721613206 KGFOLGNQLFALJV-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE COc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237290 CRVALWDOJLKYOK-OFNKIYASSA-N 522.976 5.892 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1 725394532 ZWJPWSOLNJXUEM-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CO)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069141 WBUHPAHBCMHESO-PEDKRAEKSA-N 575.039 9.815 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1083904773 VTWVTFMUZNWFSK-UHFFFAOYSA-N 505.270 5.131 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(C)cc2)cc1Br 1083923913 NFWMTPRQSKUTKD-UHFFFAOYSA-N 678.436 6.826 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084032918 HBUVLIKTCXIZPQ-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(N(C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 1084041403 BVAYXHHHNTVNPM-UHFFFAOYSA-N 526.662 5.417 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 1084041830 FLPXHGNVVXQFFL-SGWCAAJKSA-N 551.090 6.582 50 10 KKGE COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084384361 NEGZERRPACGLKG-VZUCSPMQSA-N 610.029 5.458 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084603495 CQKPJUBZMXEGGW-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1 1565518708 JCGLPCDWHRQOIB-PZXMZKPCSA-N 539.701 6.382 50 10 KKGE COC(=O)[C@]1(C)CC2=C3C=C[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]54C)[C@]3(C)CC[C@@]2(C)/C(=N\NC(N)=O)C1 1565536903 UEHPPJREDWXIJQ-LEBPMCNZSA-N 581.798 6.447 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Cl)CCCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538113 UYCWFCMOPJKMKJ-WZLYLQATSA-N 533.281 10.416 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653094 AZAZRLJPJOVCAZ-YMYMWFQPSA-N 550.511 6.859 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720213 IUDTYDVJQYOFNX-GOSISDBHSA-N 571.026 5.210 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748727 SUIICNNHQGAWDR-UHFFFAOYSA-N 524.596 5.313 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750265 YHKGOIAGLJREFY-UHFFFAOYSA-N 504.345 5.522 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 1772756533 MYTMMQRQCTZDKY-UHFFFAOYSA-N 548.659 5.418 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865688737 ZLSFORIIXIWCSC-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865691018 HEAANYNRGALVIL-FQEVSTJZSA-N 509.404 5.348 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865691281 OJZKIISEZQJMKB-QHCPKHFHSA-N 551.485 6.518 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865696844 RSIBDUYLEMQNNS-JOCHJYFZSA-N 568.258 6.591 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698487 VFJZDOGGNZDTLZ-VWLOTQADSA-N 561.425 5.903 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700935 HZBPFEULCUMTLR-VWLOTQADSA-N 531.443 7.064 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705851 HDDYAVVOUCRMIZ-QFIPXVFZSA-N 518.360 6.032 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866594216 GCKYQCIULQOFEN-VWLOTQADSA-N 528.659 5.204 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754129 DQUWPIMQOBACCZ-FKQVLLTPSA-N 501.608 5.939 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 1872758504 DEJVTZSSTWDSKK-DWCUFGPVSA-N 509.587 6.085 50 10 KKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 1872781218 YPQWNHJYYBBCLC-XQNSMLJCSA-N 523.455 8.369 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2sc(Br)cc2Br)c1 1922940255 KITMVWFASCQZMN-JTQLQIEISA-N 615.748 7.125 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1I 1924037856 CJSXBZNTUFHZQI-XLKFXECMSA-N 559.865 6.451 50 10 KKGE CCCCC1CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924601615 MMQVMUFWLCTPGG-ZPPKWKGLSA-N 507.557 8.312 50 10 KKGE FC1(F)CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924605173 NKDPIOJEZUSGKV-RXMQYKEDSA-N 503.826 6.517 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924608502 JGHRUNMCCHBSJX-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012791 ZABGVVSMPPOCTH-RLJQMVQYSA-N 728.779 12.831 50 10 KKGE Cc1nc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Br)s1 2083337029 GWPHXXLAMLBYMW-SNVBAGLBSA-N 518.894 6.532 50 10 KKGE O=S1(=O)CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472029 ZBSBLXKNRZYLLV-ANLVUFKYSA-N 604.778 5.607 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(Br)c1Br)CCO2 2148751929 LZGLGINKFCINLV-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE Cc1ccccc1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398493 VRAFYFYLINTWGS-JTQLQIEISA-N 590.773 7.724 50 10 KKGE FC1(F)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2216422276 VGZFJSGCEPGPCK-NVNXEXLPSA-N 517.853 6.702 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 2225632971 GUZFHFBNPDHQSP-CYBMUJFWSA-N 583.258 7.046 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)s1 2233033668 QCIHOKHBDLJILU-CYBMUJFWSA-N 547.932 7.056 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1F 2264469133 QJZVWBNUMPZQDZ-NSHDSACASA-N 535.896 7.276 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)c(F)cc2Cl)s1 2285986259 SKFYIPTWVMWHBK-LBPRGKRZSA-N 507.444 6.696 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1OC 2293972375 IWAHTVOSUCAOKV-UHFFFAOYSA-N 558.638 5.628 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1c(Br)cccc1Br 2295289559 JFXJTNGFQSBUKG-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE CC(C)NC(=O)N1CCN(C(=O)C(C#N)=C2SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 2297486430 SRNNMQZPGPGNRM-UHFFFAOYSA-N 526.037 5.028 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2300290881 PLXKKSAPLOBYMI-MRXNPFEDSA-N 515.043 6.008 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 2313566810 AWRHXGMOSUZFEY-UHFFFAOYSA-N 637.053 5.232 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N 2313567212 DGYMGWHWJKSALX-UHFFFAOYSA-N 516.395 6.153 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1 2313570988 KVTHRJYXDJTJRP-UHFFFAOYSA-N 672.144 7.884 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314489610 TWTORWQZVVEOFW-UHFFFAOYSA-N 559.352 8.566 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1 2314640706 PBNKYTKBNSRSOY-HKBQPEDESA-N 508.618 6.873 50 10 KKGE Clc1cc(I)c([C@H](Br)Cc2ccc(Br)cc2Cl)s1 2316771227 QZFAZAHERIZZIC-MRVPVSSYSA-N 540.873 7.101 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1c(Br)cccc1Br)C(=O)OC(C)(C)C 2318204867 ZKPNRWPHIRCGSG-GOSISDBHSA-N 544.122 6.139 50 10 KKGE Cc1nn(C)c(C)c1C=NNC(=O)[C@H](C)Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 2321698245 XJYGAENQXPWJPZ-NRFANRHFSA-N 503.647 5.454 50 10 KKGE Cc1ccc(C(=CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329587781 CBILWXKLGXSIAK-MUUNZHRXSA-N 511.647 5.742 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c2ccccc12 2331489339 SYVPOQPNDKQLKV-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCCCc1ccccc1 2331491733 IGDMKVNVQHSLAX-UHFFFAOYSA-N 517.050 7.556 50 10 KKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)c(I)c1 2340057435 MAKPQNRMEQPELY-GFCCVEGCSA-N 534.844 7.039 50 10 KKGE BrCc1ccc(OCc2ccc(I)c(Br)c2)cc1Br 2350076780 KPTSMGCBCAUAND-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2csc(I)c2)c1 2353038393 SDGWIFDNCNZDRY-CYBMUJFWSA-N 516.036 6.171 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362249900 ICGQIBZUVNUXQI-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE BrC[C@@H](OCc1c(Br)cccc1Br)c1ccccc1Br 2366182187 FDPOIFYQXSZATJ-OAHLLOKOSA-N 527.876 6.627 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684797 NPRQYJKVIWJOGZ-SANMLTNESA-N 523.416 7.000 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813419 QMFLPVRMPSRXJM-MWAVMZGNSA-N 522.989 6.215 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(F)cc5F)c(C)c43)coc2c1 40827019 PBWRAPHJKHGQKG-RUMWWMSVSA-N 505.521 5.881 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 40950616 YQEGFUZWODOHKJ-GREVIXSFSA-N 503.982 6.827 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 59303848 ZFHAWZXOONDMAI-KEIPNQJHSA-N 503.577 6.935 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 100122001 APCZDZQEIYBEMC-HWKLWZPUSA-N 550.486 6.944 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C2=O)cc1 101339933 GHWSTDLZDYSWQS-KEIPNQJHSA-N 620.709 7.228 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101340929 BPUGDHFEJXVHPV-ZVHZXABRSA-N 547.438 6.764 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101383105 QMEKSYABNIQHOL-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384569 CGRYWACVSRDKJT-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385707 NHHWUYUTHUYYOT-YTTGMZPUSA-N 599.039 6.139 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 101387596 ISPHFFWVHPYGQP-JGCGQSQUSA-N 617.485 6.956 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 101391797 DJQBZLJGTYVMLP-HSZRJFAPSA-N 540.359 6.128 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(C)cc4)c(OC)c3)c(C)c2c1 101399057 LQLULTWKMOILJY-UMSFTDKQSA-N 600.671 7.637 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101614871 WOCAPEZOXLCUSK-MHDJOFBISA-N 551.459 6.009 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 102666270 MPUBUNPYPNHLHK-KVHSSYOWSA-N 528.848 6.712 50 10 KKGE N#C/C(C(=O)COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)=C1/Nc2ccccc2S1 102957027 NLJAENLQVKKIPQ-LHLOQNFPSA-N 542.414 6.343 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1 103796885 NTQHPKSWHXCNGH-SEBMTOOBSA-N 578.112 8.156 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 103806269 FIEPCZNZKAMTEB-DNDAOKEUSA-N 620.112 6.453 50 10 KKGE Cn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nc2ccccc21 104768845 JNVKVZJWLZOJRT-OGLMXYFKSA-N 537.483 5.937 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 105060219 DRAYNITYOXZPJP-MZJWZYIUSA-N 522.790 5.044 50 10 KKGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3cc(Br)c(Br)s3)cc2[nH]1 128561818 KNNMGIWQWVVHRO-SNVBAGLBSA-N 501.425 5.533 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1Br 148962109 JOBFATHPVYUEMJ-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE C=CCc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 150401482 WIIMVXUQSULMRZ-JEPNHJGPSA-N 667.025 7.064 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1Cc1ccc(F)cc1 163330088 XHFMCWBDOIIYSL-PMCRKUBMSA-N 694.217 6.694 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O)N/N=C/c1cc(I)cc(I)c1O 164004077 AFLOKVREQKOOKF-IHXWQEJPSA-N 970.166 7.018 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(I)cc1 164612959 SCIPOUYBKGEMLP-KVSWJAHQSA-N 731.122 6.756 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 164617751 PRTXDPOEOKQWLU-ODNPBWNPSA-N 638.518 7.295 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 252595732 CDCRFARFBCBXDS-XEJRXIHNSA-N 596.062 5.383 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CCCNc1ccc(Br)cc1 253575637 UVXFSWSCGCEREH-XBQJKBNESA-N 619.652 7.757 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 254353122 ZTCRENGPRBDJCQ-UHFFFAOYSA-N 502.703 7.699 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc(OC)c1OC 254615813 XQDJUFGTDWDTRE-UHFFFAOYSA-N 523.659 5.027 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Br)cn1)[C@H]2Br 261366782 OXHSBBDULUZURV-LKTVYLICSA-N 559.922 5.468 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@H](I)C[C@H]21 504219153 PJELOCOCQXOYAR-MHJSFLICSA-N 841.943 5.389 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616584638 AQLURWHBCUUICR-SUNZZQRFSA-N 710.852 7.267 50 10 KKGE O=C(N[C@H]1CCCCc2ccccc21)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237262 CBTOBFGOPPFPKI-URXFXBBRSA-N 521.004 6.664 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)S(C)(=O)=O)cc1 725413031 NPUQJXVMQJCWBR-UFRMOSHKSA-N 558.704 5.218 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 1083890331 IOKGIOIXPBLOOY-UHFFFAOYSA-N 598.124 6.726 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1 1083915071 REXFIIWWPWSEPS-RGVLZGJSSA-N 570.281 6.962 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc(Cl)cc1 1084028577 OVQDRRSUHGRFOU-UHFFFAOYSA-N 540.019 5.936 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1C 1084095470 STFUPZDZYNCEFG-UHFFFAOYSA-N 514.651 5.133 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 1772754954 CFCVRDCFJYUGMQ-UHFFFAOYSA-N 637.408 7.709 50 10 KKGE Cc1c(C)c2c(c(C)c1OC(=O)Oc1ccc([N+](=O)[O-])cc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 1848441771 CLQIBMXXWRIYFN-PDOBOUQHSA-N 595.821 10.621 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690570 VENKDCWZIBBOQZ-JGCGQSQUSA-N 568.677 7.021 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865690767 AMVASHWFSQAHAP-VWLOTQADSA-N 569.475 6.327 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697452 SUGDZDOCEGCEMJ-HSZRJFAPSA-N 523.431 5.601 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865703555 BFKNLPBEBQOCSV-MRXNPFEDSA-N 509.271 5.173 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705194 OKEHVYKECYCORH-AREMUKBSSA-N 520.589 5.652 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706105 NSBVSSRFQSCBQF-QHCPKHFHSA-N 531.931 5.526 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCC(=O)N(CC)CC 1865706917 IQYCOEQAWVBCMT-SSEXGKCCSA-N 577.685 5.462 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711985 MXLSMGDFJOHNEK-XMMPIXPASA-N 541.951 5.149 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 1872745927 KAXOOVBNRMMASV-FCZGTTMTSA-N 508.441 6.289 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)n1 1872747343 YCFJXLMYLJDJDV-NMWGTECJSA-N 516.044 5.597 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922938803 FWADDAANJOLABD-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Clc1csc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923073260 VRBOPJGMVADEGA-SCSAIBSYSA-N 520.320 7.779 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)n1 2083341375 YRQLGPGTEXBPCU-NSHDSACASA-N 501.842 5.675 50 10 KKGE C[C@@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085496133 VIIHRVMTSWMPOK-WKEGUHRASA-N 524.316 7.453 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 2086380872 JGCTZGSWMZEKQC-ZDUSSCGKSA-N 502.009 5.998 50 10 KKGE BrCc1cccc(Br)c1OCc1cc(Br)ccc1Br 2118520589 WDJNDLFZKRTKEV-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Clc1csc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141470135 FJPISMXMSVGUNJ-JTQLQIEISA-N 593.187 8.433 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1c(Br)sc(Br)c1Cl 2163395908 KHZZZXCIYGEUII-SVRRBLITSA-N 513.467 7.578 50 10 KKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398917 AEUAMPAGSIYNPR-LLVKDONJSA-N 615.154 8.013 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206408204 HRKHMBINBLCIPA-ZDUSSCGKSA-N 678.609 8.323 50 10 KKGE O=C(Nc1ccc(CCBr)cc1)c1ccc(Br)cc1I 2207273428 VBZVRQVSZNPWBK-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc(C)c1Br 2227420828 HXABJWCPIURVBV-JTQLQIEISA-N 507.900 7.681 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509690 JXEDKWRLSMAEQG-VIFPVBQESA-N 526.281 6.698 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)c(Cl)c1Cl 2232518725 FOYDCNFAZLHVAR-NSHDSACASA-N 634.158 8.261 50 10 KKGE Brc1cc2sc([C@H](Br)c3cc(Br)c(Br)s3)cc2s1 2263562960 HGBQTYQKEXYWEY-SNVBAGLBSA-N 551.970 7.796 50 10 KKGE Oc1nc2cc([C@@H](Br)c3scc(Br)c3Cl)c(Br)cc2[nH]1 2279287072 HTWWJMXEUARINN-SECBINFHSA-N 501.425 5.993 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc2sccc2s1 2288494437 GTSDULUUULKQHJ-NSHDSACASA-N 503.025 7.250 50 10 KKGE COCO[C@@H]1C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@H](C)CC[C@H](OC(=O)[C@](OC)(c4ccccc4)C(F)(F)F)C(C)C)CC[C@H]3[C@@H]21 2294819031 WKBJJVNVHWVMMW-XRBOKKSMSA-N 919.295 12.278 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC 2295176428 JMPFNOMKDPIMHX-UHFFFAOYSA-N 564.425 6.192 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC(Br)=Cc2ccccc2)cc1 2295483014 RDDCSOUXWHFOHX-UHFFFAOYSA-N 517.427 5.062 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566907 DEJWOQHEBYECJK-UHFFFAOYSA-N 520.402 5.423 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 2313567014 AYHWFOODQFIKCP-UHFFFAOYSA-N 595.118 7.952 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592801 BYTJSUQTVHXEEL-IDISGSTGSA-N 511.647 5.697 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314592987 FLZJHXPNNARZDK-HSZRJFAPSA-N 526.445 5.946 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314616860 LINDCKJDOMHTLZ-UHFFFAOYSA-N 520.633 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617035 PMWOUJNKJXQWAG-UHFFFAOYSA-N 623.540 7.960 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 2316776161 OTIARJABKBSMJX-BPDQYTBSSA-N 650.762 5.269 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OC(=O)c1ccccc1 2331489040 SVZXEGKDZJVECU-UHFFFAOYSA-N 507.398 7.409 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336081958 WHYWSNKEZLRFML-FQEVSTJZSA-N 515.072 7.967 50 10 KKGE Clc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336084748 WKUXDCQYFTXCCL-SFHVURJKSA-N 515.072 8.014 50 10 KKGE Cc1nc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339656755 QRMCENGPQWBKFA-SECBINFHSA-N 536.884 6.671 50 10 KKGE Clc1ccccc1[C@@H](Br)CCc1ccc(I)c(Br)c1 2349854953 QECILHLEQKVPKC-LBPRGKRZSA-N 514.426 6.776 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Cl)cc2I)c1Br 2365595269 IFAAOBCMELFFOP-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2csc(C)c2Br)c1Br 2369593813 KOYMTZQFYQLZLG-ZDUSSCGKSA-N 503.481 6.989 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 2738719 DHMSOORZYPYZRN-OAQYLSRUSA-N 536.661 5.672 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739734 MWCRQUKKABOSIE-SJUMRLIPSA-N 502.039 5.434 50 10 KKGE Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)NN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 27534124 RTNYVZSSLOJFEY-UHFFFAOYSA-N 512.488 5.338 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 35516331 CCNGGCAUPIXVNJ-CYVLTUHYSA-N 523.618 5.133 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1 38660003 CKQHPYUEPVZTAY-GDLZYMKVSA-N 504.542 5.712 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660851 VNUWPLBDSOOLOR-SSEXGKCCSA-N 520.541 5.690 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678760 IDCAUDYAHJBKEE-QKFKETGDSA-N 509.331 5.179 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5C)ccc43)cc2)cc1 38686248 GVDFANMALFSVHJ-SSEXGKCCSA-N 502.570 6.320 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686526 LOOAYEVKCNFORW-SSEXGKCCSA-N 504.542 5.468 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)CC1 38700959 YFKZXHRDHAFTRE-JZNUIYJTSA-N 532.681 6.994 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38701395 UEGNXOIWOYXCEC-AREMUKBSSA-N 514.965 6.539 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1Cl 39867151 ANTBYSXFOBXRLO-UHFFFAOYSA-N 517.416 6.474 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(Cl)c5)c(C)c43)coc2c1 40826974 QMHKTVMEMZZCFN-NJZRLIGZSA-N 503.986 6.256 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCCc2ccccc2)c(OC)c1 40959916 MJXDQVNGVSPZFS-OGLMXYFKSA-N 511.416 5.171 50 10 KKGE Cc1ccc(C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 59562726 CUPQCHYSCJPOFG-UHFFFAOYSA-N 628.736 8.982 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207370 AFOZBZOQRXQOKZ-HNNXBMFYSA-N 611.345 5.480 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 100227794 JUUAJHIYEHMUBX-XZJBEKIMSA-N 592.861 5.886 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101246570 SMPXZNDYBWMOPB-TUJXDINHSA-N 565.617 6.902 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 101286624 VXWOROZPCHLIJZ-CPVAOEHFSA-N 534.616 5.184 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101337774 KCZRDQUBWKLNKP-FOCQTWHXSA-N 554.650 6.525 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101340173 ODEQLZOIZDZVGL-RUMWWMSVSA-N 586.692 6.480 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341350 ZDXFOYIEFIFRBW-PCLIKHOPSA-N 573.049 5.527 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101367829 IBDOPUOSQIJOIL-KEEVHDRGSA-N 542.632 6.028 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387021 UBFGTHIAFFTYAG-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388709 FHEMAWXRENYNPD-PGUFJCEWSA-N 625.121 7.644 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101396621 SOQJNVGHSLKGKH-HSZRJFAPSA-N 537.424 7.044 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101397157 STIZFGRODCDQEP-GDLZYMKVSA-N 587.141 8.650 50 10 KKGE COc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)ccc1Cl 103816572 HRXQNOROHBQXBL-SRZZPIQSSA-N 558.034 7.530 50 10 KKGE N#C/C(=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 108851112 OHHWIRHZWKLTBN-ZHZULCJRSA-N 508.507 6.412 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)cc1 150455234 DNWJOJOARRETJX-SDEVNZIBSA-N 655.132 5.127 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150481620 HTQGZSJMSVBCJS-XMMPIXPASA-N 684.831 9.505 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497459 CSDIDPREADWCJN-GOJREDGKSA-N 636.752 7.679 50 10 KKGE C[C@]12CC[C@@H](O[Si](C)(C)C)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C 196704685 GDLXXKCOAVFNSJ-WALHWGODSA-N 583.047 7.231 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 205782317 XVGWTYSVFXKGIV-OXMOZHKQSA-N 714.775 6.183 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)ccc3I)ccc2O1 235771125 JBRZYDWHEKNNGP-FVMDXXJSSA-N 507.991 5.861 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2cc(Br)ccc2Br)c1 236038509 WASUYBMCQJQSBO-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE O=C(/C=C/c1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 252615794 JUYLFDUFVYXNQM-QILTYNFVSA-N 555.428 6.117 50 10 KKGE C=C(C)Cn1c(CCn2c3ccccc3c3ccccc32)nnc1SCC(=O)NN=Cc1ccccc1O 252627316 RRROHEMPHICTPL-UHFFFAOYSA-N 524.650 5.153 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccc4ccccc4c3)n2-c2ccccc2)cc(OC)c1OC 254853284 OGWBUKGGVCXVJH-UHFFFAOYSA-N 567.671 5.746 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C)C(=O)[C@H]2Br 256019825 GZULQEGYIKAKAS-HDYGBLQKSA-N 700.464 7.482 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1[N+](=O)[O-])[C@H]2Br 256022792 AZNLFICUMXHKGS-UVBJJODRSA-N 525.035 5.219 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)c1 263630493 XYGAREJIAVVXCA-UHFFFAOYSA-N 553.640 5.356 50 10 KKGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)cc1 263631513 RTECWAZKSWXOEO-UHFFFAOYSA-N 537.641 5.666 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(I)c1 312382055 RNFBKAYZYBTUNQ-CQSZACIVSA-N 558.954 5.454 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@H](O)C(=O)[C@]12C)C3(C)C 504772394 BUIVYZUATKNANR-GBCNCTONSA-N 773.125 7.141 50 10 KKGE CC(C)(C)N(CCCBr)C(=O)c1cc(Br)ccc1I 691003065 LJBZTCUPLBHLRI-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE CC1(C)COC(CC[C@H](C(=O)N2C(=O)OC[C@H]2c2ccccc2)[C@H](Nc2ccc(F)cc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccc(F)cc2)OC1 888086369 ILUMERHNJVSKQE-VDYROPKHSA-N 770.990 10.545 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084067781 SUZPOOHDSQNNDU-XMMPIXPASA-N 511.416 5.391 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1084204564 GZYXBZIZHCZXAR-UHFFFAOYSA-N 701.039 6.661 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084227384 CEHVVUWNVCWFID-HSZRJFAPSA-N 627.306 6.540 50 10 KKGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 1084292360 VQMAUUSLKVLQRA-UHFFFAOYSA-N 518.038 5.246 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1 1084447012 PYUABUUGHUVIAJ-VCHYOVAHSA-N 637.257 6.820 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084470613 IMJSJJVXDWVJMO-UHFFFAOYSA-N 559.475 5.335 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 1084584606 VBRYWELXHJDDDE-QHCPKHFHSA-N 529.406 5.530 50 10 KKGE C/C(=N\NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526755 RWWFQDLUYGDPCH-ONADDBKRSA-N 574.681 5.253 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(Cl)c5Cl)c(C)c43)coc2c1 1772752045 SIYGMNWILJRMSW-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687400 QJJOOQCPEBRXGZ-HHHXNRCGSA-N 571.475 6.393 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687407 QLRSVMYIAUBSKQ-SSEXGKCCSA-N 528.612 6.394 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865691357 PZAVNDMDNLYOEO-SANMLTNESA-N 542.998 6.182 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)c1 1865693261 IQHYHRYBWJETLA-MUUNZHRXSA-N 520.633 6.231 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c2ccccc21 1865699109 KQDNONRKHFYURW-XMMPIXPASA-N 522.406 6.012 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215089 AXNIBTJDMUJQHN-XQNSMLJCSA-N 518.635 6.286 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866749091 PHLROSMFHNITQH-KAYWLYCHSA-N 535.710 6.585 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867187367 UOVHNMIWKBUOFX-QHCPKHFHSA-N 554.676 5.163 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)CC1 1868565830 OGDHCITWUQQJHB-UHFFFAOYSA-N 522.638 5.140 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)nc(O)c2cc1OC 1872727564 KJKHWAIYZKWRSS-GIJQJNRQSA-N 548.393 5.767 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 1872745650 XBWMMRADXYUSRN-TYNKLVQMSA-N 503.624 5.798 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(Br)c1OC 1872748328 SOLJGPJZMQLCKB-PWHQALQLSA-N 503.805 6.749 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 1872755202 CQSSEIKOKYWMRC-GYHWCHFESA-N 505.640 6.128 50 10 KKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 1872790660 WWWNCSSLPMJDJA-FYJGNVAPSA-N 525.512 8.221 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCC(=O)N(CC)CC 1872791795 SFNPAOMPNCSGKK-BUVRLJJBSA-N 503.668 6.644 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066387 OWGRLXBMJDYMLW-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591567 SEWYAEBKOCOSKI-JGVFFNPUSA-N 525.970 7.934 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1I 1924596973 WDPAOFFLRQYWQN-QMMMGPOBSA-N 629.775 7.433 50 10 KKGE Fc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1I 1925561409 OGVZVWYNEAIHJO-ZETCQYMHSA-N 544.836 7.045 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2025779217 DUTSQSGWSMNIJI-ANYMCVJYSA-N 555.728 5.910 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012738 HJVZUVSIRAKMNI-RXNDOVDNSA-N 784.887 14.392 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2037569126 KIELDCCFMKNOOM-YLIJAXQZSA-N 968.182 6.765 50 10 KKGE C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@@H]1[C@H]2C 2060323918 LPXKEZSZAHHYSB-FDAYFBCSSA-N 544.893 8.002 50 10 KKGE Fc1c(Cn2nc(CBr)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079243219 PQCYRSLCBZWGND-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE FC1(F)CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494132 KGUVVARCTIBLNT-MRVPVSSYSA-N 576.693 7.218 50 10 KKGE Cc1cc2sc([C@H](Br)c3c(Br)sc(Br)c3Br)cc2s1 2100322569 JCWHIHYGTLHXAG-VIFPVBQESA-N 565.997 8.105 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(C)C)c1Br 2123244321 VAMDVRRPVPZILT-MRXNPFEDSA-N 503.300 5.888 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470430 GYHKEGVYXQYOIG-LGGPFIHHSA-N 580.778 7.465 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2206400843 SVWMZIYVTCIPHJ-LOKDSWTASA-N 594.805 7.999 50 10 KKGE FC1(F)CC12CC([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206402212 QDHFNRCNFILAOH-UNXPPYCYSA-N 602.731 7.608 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1csc(Br)c1Br 2218604951 BLSITOZOMYVGGW-SNVBAGLBSA-N 542.287 7.265 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1Cl 2232514673 VLXLSSSYRXQUNB-ZCFIWIBFSA-N 546.699 7.043 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2234069419 SIASISHTFJUVEG-BQBZGAKWSA-N 550.314 6.367 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1ccc2c(c1Br)CCO2 2238071539 ORKIRVPZMACAPY-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE Brc1coc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2244207517 FKEHZGVHVVSRAB-LURJTMIESA-N 558.709 6.875 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(I)c(Br)c2)c(Br)c1C 2253504860 NZCARSBJFVXMGP-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2257542240 WNSMFLUJQFTXLJ-VPLCAKHXSA-N 501.487 5.186 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(I)sn1 2259999511 QOMJALLPMCIWON-VIFPVBQESA-N 529.369 5.879 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1F 2279146511 KSRAGLNJIVYPEI-AWEZNQCLSA-N 576.867 7.056 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)c(C)c1F 2279146671 MMOWLYPVABCWPN-AWEZNQCLSA-N 515.961 6.433 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(COc3ccc(Br)cc3)c(OC)c2)c1 2294953985 VUGNNLOINXWYAM-UHFFFAOYSA-N 507.384 5.981 50 10 KKGE CC(C=Cc1ccccc1)=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 2296646549 OLBLEKPEMHQGKI-UHFFFAOYSA-N 506.262 5.931 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc([N+](=O)[O-])c1O 2297462357 HBVUIWJHFJDLBA-UHFFFAOYSA-N 526.324 5.366 50 10 KKGE CC(=O)Oc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br 2297551506 OKXMQSRXSUXSQL-UHFFFAOYSA-N 543.555 5.244 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642427 DMXPKHGQUDHEGW-CEZCWPDISA-N 676.210 5.021 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521345 HWCGZDVGOUJRGH-UHFFFAOYSA-N 539.857 7.243 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521522 UJNXZEGQFBEDEO-UHFFFAOYSA-N 574.302 7.896 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 2313567290 IFQHXKLDVSTTKG-UHFFFAOYSA-N 522.432 5.837 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2313570660 CGZXSELRMDFBJS-UHFFFAOYSA-N 613.342 9.426 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314448273 GNVPDIIRMIQEJH-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 2314488247 MTAIWHMPPWWSST-UHFFFAOYSA-N 522.914 6.766 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Br)cc2)cs1 2314489100 NVIZWYIYPYZWKW-UHFFFAOYSA-N 523.437 6.111 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314493733 XGGZOYRGMBDZAC-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 2314617065 QDOZJWBNONSSEB-UHFFFAOYSA-N 588.664 5.709 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1CC 2314770719 UTFBWAXLDGMGTB-UHFFFAOYSA-N 553.409 5.211 50 10 KKGE CCN(CC)c1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 2320902047 HMXDYRQXDXEPAZ-UHFFFAOYSA-N 507.682 5.594 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C)c1-c1ccc(Cl)cc1 2329699423 VFARFVGHOYTQFR-UHFFFAOYSA-N 529.843 6.862 50 10 KKGE CC(=CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)=Cc1csc(C)n1)C[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 2333151882 YKXYTSHOAIXBSR-VFRQKDATSA-N 692.193 10.862 50 10 KKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2349836874 OWENRFDDAONTDX-RISCZKNCSA-N 501.044 5.438 50 10 KKGE Clc1ccc(I)cc1COc1cccc(Br)c1CBr 2352426402 TYSRSWAZVXSEDR-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE COc1ccc(C[C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2364190968 ATZCVDFFURDEQM-QFIPXVFZSA-N 510.653 7.322 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2364236195 QXQXYMRNYDNGLT-ZCFIWIBFSA-N 591.150 7.152 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2scc(Br)c2Br)c1Br 2365225597 LIYJFSAQASEKPA-LLVKDONJSA-N 568.350 7.443 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cc(F)cc2Cl)cc1Br 2366409520 WSVXMDYKTMNULV-CQSZACIVSA-N 505.834 7.450 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)cc2)sc(C)c1C 6167369 AZATWZADXBMBPV-NSSDMECBSA-N 613.736 6.599 50 10 KKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)cc1 12273819 NABLYYONOSCHKZ-YKMWHWIESA-N 518.038 6.030 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)cc1 14666966 HKSHGKYQHRNNNL-UHFFFAOYSA-N 524.415 5.119 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 38660010 CDSIPUPYMSLVEG-PMERELPUSA-N 518.569 6.020 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 39858795 XHPJJDDTBCWXIH-AQTBWJFISA-N 515.367 5.412 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 40894402 NMLCBJKWELJREM-CJLVFECKSA-N 514.578 5.547 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)sc(C)c1C 59336313 KPGUTROBIUACIA-WOJGMQOQSA-N 516.450 6.802 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 59417803 BUWBXSVRCOKFFG-XPPWVDLZSA-N 510.997 5.142 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 100234141 BJUHNRAGDFQIJJ-FMLCXWAVSA-N 543.639 6.175 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 100238174 HGFONUMGKBDBER-XTYFKDDUSA-N 547.608 5.274 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1nc2ccccc2s1 100883557 GVXYNIMTDXDVPP-MOHJPFBDSA-N 528.612 7.931 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 101014214 NWTWZXVUYKMJET-FZOVBJPOSA-N 621.184 6.198 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 101286681 GLFMGWSQQCLWFG-STBIYBPSSA-N 584.632 5.934 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101333610 HJBBCRCOYYKNMN-NJZRLIGZSA-N 605.138 7.944 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 101338873 CJKSOISHZRYYCH-BUVRLJJBSA-N 510.569 5.612 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101341032 XSHNMBGQTVGCEE-NDZAJKAJSA-N 572.621 5.274 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101368051 DTHDLEIGJWUQHR-SONOPUAISA-N 546.595 5.994 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 101378373 NXFOTVBYHRNFHQ-WKRVVKTRSA-N 540.660 6.970 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)C)cc5)ccc43)cc2)cc1 101378866 ZFMLWQANXKJORN-UUWRZZSWSA-N 560.650 6.900 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382832 QRVYZOIOAYXFDP-HKBQPEDESA-N 567.041 6.738 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383377 XWYWMMZIFBRBRP-XIFFEERXSA-N 595.095 7.419 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)c1 101389102 VEKOBGASTGQPLE-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1 101392915 CFNGGRMVFWRCHT-WJOKGBTCSA-N 558.590 6.766 50 10 KKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OCC 101641905 RNXMOWZJNUDFGQ-XMHGGMMESA-N 539.451 6.689 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccccc1OCc1ccccc1Cl 101727368 JGUKCDQQMLAMIL-XODNFHPESA-N 528.486 6.938 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666356 MSAVHHMZKKJNAI-RDKICWGTSA-N 566.466 6.235 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 102667196 WLORXAMFVBWXFX-GJFYNSNLSA-N 542.875 7.020 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Br 102855503 LKTWMTQZSKQKBL-JWGURIENSA-N 609.484 5.654 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc(C)c3)cc2)c2ccc(C)cc2)cc1Br 103749417 WWPNLISNQJMSOB-BIZUNTBRSA-N 606.542 6.234 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 103796212 ZLZIVLIPKMMAQE-KPGMTVGESA-N 576.878 7.599 50 10 KKGE O=C(N/N=C/c1ccc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104998996 SAAWPDOSVKCJJE-NBRFUFBESA-N 535.087 6.182 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 105052955 IDHJNKLFWTVWDP-PUHLOBNQSA-N 618.300 7.871 50 10 KKGE N#C/C(C(=O)NC1CCCCC1)=C(\Nc1ccc(Cl)cc1)SCC(=O)Nc1c(Cl)cccc1Cl 105842288 UQKRMYMMCFTGPR-MOHJPFBDSA-N 537.900 6.615 50 10 KKGE O=C(NNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 164273395 INPITWNQDDXOLU-UHFFFAOYSA-N 676.598 5.237 50 10 KKGE CCOc1ccc2nc(SCC(=O)NNC(=O)c3ccc(NC(=O)CSc4nc5ccc(OCC)cc5s4)cc3)sc2c1 164829454 VUWZTSKLHZGVTQ-UHFFFAOYSA-N 653.833 5.988 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 235811842 FHKKIJDHLGRZTA-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 252626670 RDGJPZNRJHFRDI-XMMPIXPASA-N 503.396 6.702 50 10 KKGE O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@]2(F)Cl)c1ccc(Oc2ccc(C(=O)N/N=C/[C@@H]3C[C@H]4C[C@H]3[C@@](F)(Cl)[C@@]4(F)Cl)cc2)cc1 253388585 UXJICYMVFNDWNU-DUUSLYGMSA-N 708.367 7.841 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 253572813 QPZSLLGQDUXDBR-QCFMCPCVSA-N 659.882 8.193 50 10 KKGE CC(=NNC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 254395346 QHDZTVWZWIAEDC-UHFFFAOYSA-N 550.442 6.804 50 10 KKGE Cc1cccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2)c1 254685709 MFLZHGSPKXOXSM-UHFFFAOYSA-N 546.215 5.268 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(-c2ccccc2)cc1 254702977 JJJQEJQLZJWLHS-UHFFFAOYSA-N 523.706 7.058 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254838208 ICMXRFCZDDWQTA-PCAVRIJESA-N 540.667 6.760 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 256827092 RKPWDVVMCBUEMP-WTMJVXIESA-N 644.482 7.762 50 10 KKGE CC(C)O[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOc1ccc([P@@](=O)(OC(C)C)c3ccccc3)cc1OCCOCCO2 334162567 PYPYLMMGDZOGCY-WLTNIFSVSA-N 724.724 6.257 50 10 KKGE Clc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1Br 380245330 NFKDUDGLYQDNOM-CQSZACIVSA-N 528.409 6.126 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)cc2Cl)C1 382737277 XRTXRTKWGPLQNN-WMLDXEAASA-N 534.619 5.890 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc3ncn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)c32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 521840104 UDVSLNPMAIZCSA-SSKIFPDDSA-N 776.125 8.704 50 10 KKGE COc1ccc(OC)c([C@@H](Br)c2ccc(I)c(Br)c2)c1 721574293 XQPPIPZOJUMPNX-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1F 721614026 NLBDSZBVXHOFGC-NSHDSACASA-N 540.342 6.562 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 725395756 LQGMTCSUGKHYBS-UHFFFAOYSA-N 569.514 5.742 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)o2)cc1 725429221 RFXHLNUSHKSYIC-SSEXGKCCSA-N 553.640 5.661 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084010355 HADKWAGVOLPWKW-UHFFFAOYSA-N 591.303 6.754 50 10 KKGE CCc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2)c1C)S(=O)(=O)c1ccc(C)cc1 1084130587 KGFZXZFMUDCDHL-UHFFFAOYSA-N 528.678 5.311 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2)cc1 1084298232 DQZNILRBXCRLHI-UHFFFAOYSA-N 595.519 5.211 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084346973 BAYZBTOHAFBAIH-RUZDIDTESA-N 576.318 7.027 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Cl)c2C)cc1C 1084355646 WSTBHEBERQGNAC-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC#N 1084382376 RBRTUSNGHDGDEW-UHFFFAOYSA-N 604.448 6.122 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(C=NNC(=O)COc2cccc3ccccc23)cc1 1084532487 PACNLIUWJVIVAB-UHFFFAOYSA-N 530.584 5.051 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1 1084597748 RRDVHKQZOJFQAZ-RQZCQDPDSA-N 579.221 6.731 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653255 YBDBRYCWRSIXNR-QNRYFYKWSA-N 564.538 7.420 50 10 KKGE BrC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1616047112 PRCZFTMAGUTRJT-ICSZRKOASA-N 617.580 7.122 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747807 RICPWFKNNRDNOJ-UHFFFAOYSA-N 555.634 7.770 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682538 QZMHQYCTJBACCV-HHHXNRCGSA-N 519.004 6.632 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687152 KOAQSPGECOWBEK-MUUNZHRXSA-N 506.606 5.608 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Br)c1O 1865688405 RETDYMQYCKYHDU-QGZVFWFLSA-N 535.320 5.035 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692406 BHNJTVGXMUNMKY-SSEXGKCCSA-N 534.660 6.388 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865692528 MVGGXHGZBYOJPU-IBGZPJMESA-N 563.374 6.059 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695176 LWLNUENCKNVEKP-GOSISDBHSA-N 525.314 5.823 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865702919 ICNGLJNOJJSFRP-XIFFEERXSA-N 560.657 7.798 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712190 RSRPXWXZLABCDJ-PMERELPUSA-N 512.613 6.775 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@H](CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867219572 LLMVANMRCQSDFI-CLJLJLNGSA-N 522.070 6.367 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)n2)c1 1868505600 JQRDPNAOTNGXBH-VWLOTQADSA-N 523.666 6.412 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)n2)cc1 1872781434 GQAHEHZJGVPMCI-WSDLNYQXSA-N 521.469 8.331 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(I)ccc1Br 1916383406 IPFUSFYNQJIURA-CQSZACIVSA-N 567.059 5.106 50 10 KKGE C[C@H](SS[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 1923727957 RZUCNNXQRXPJTR-HNRBIFIRSA-N 568.808 7.603 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(I)c1 1924596180 KIKUCBZNIHXABD-MRVPVSSYSA-N 633.738 7.264 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2csc(Br)c2Br)c1Cl 1925548213 JSNVBYJWMWVVEY-BYPYZUCNSA-N 520.320 7.779 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2sc(Cl)cc2Br)c1 1948823257 MBOZXFCDNLSMKO-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)C(C#N)=CNc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1 2053556472 RALYQAKSTYQXKQ-UHFFFAOYSA-N 506.468 5.547 50 10 KKGE Cl[C@@H](c1ncsc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492696 QFOFRBGPQYWZLR-MRVPVSSYSA-N 604.181 7.284 50 10 KKGE CC1CC(C)([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085495683 RWAMMZPUOUUMSI-SKPUXYCPSA-N 524.316 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@H]3COC[C@H]23)c1Br 2085497196 ZFXUXIYWTZYEEC-JRHNIRLTSA-N 568.723 6.065 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 2097836042 WVNHNEUFENQQNB-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE FC1(F)CC2(CC([C@H](Br)c3c(Br)sc(Br)c3Br)C2)C1 2102620781 VGEHDQVBURGZTA-ZETCQYMHSA-N 543.891 7.297 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2nsnc2c1 2120651108 MPXJJMFNMSFHBV-MRVPVSSYSA-N 503.466 6.416 50 10 KKGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467892 DQEFMAFAHHAMLI-WRWORJQWSA-N 604.778 5.750 50 10 KKGE C[C@@H]1COCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476664 DYPPJHGISCTLAC-HHSDFAELSA-N 540.315 6.689 50 10 KKGE COc1cc(F)c([C@H](Br)c2cccc(C)c2I)cc1Br 2202904600 UKODXDVZVUXANS-CQSZACIVSA-N 513.970 5.994 50 10 KKGE C[C@H](c1ccccc1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404327 UMRJOELPECMOLY-GLEZIHRCSA-N 546.322 7.820 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)c(C)c2)cc1Br 2207110009 CVNFIULJJRCFEQ-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(Cl)c1Cl 2207260267 FNZDFCDTJIZXOL-GFCCVEGCSA-N 506.392 6.697 50 10 KKGE FC(F)CCC[C@@H](Br)c1c(Br)sc(Br)c1Br 2212202263 GYGPETXOQKHVOE-SCSAIBSYSA-N 505.842 6.907 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)s2)c(Cl)c1Cl 2217619286 XCSZWLLEMYVIEW-SECBINFHSA-N 514.291 7.718 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2C)cc1I 2224625354 DRSRAYNIYGLIQU-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2241001568 POPCKEJOUVSAGD-LBPRGKRZSA-N 519.924 6.264 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)sc1Br 2242670387 FMHLAQHMGLCBLA-LURJTMIESA-N 530.326 7.235 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Cl)cc1Br 2264609613 MXEHRPLLGORBMQ-JTQLQIEISA-N 509.872 7.073 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)c(C)c1F 2279161779 WQKVEFQHNVIXQW-AWEZNQCLSA-N 515.961 6.433 50 10 KKGE Cc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1Cl 2295937267 IBIALBOUHGLZJF-HHHXNRCGSA-N 628.581 8.196 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 2313567838 LYQZMQQOWDBYNT-UHFFFAOYSA-N 563.222 7.031 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2313571161 OUCRHECLYAZAPJ-UHFFFAOYSA-N 579.443 8.572 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@@H](C)O1 2314476955 YRMXEMKFPHHWGW-SZPZYZBQSA-N 623.156 5.329 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cl 2314532262 IFLDNAGSRQXQGB-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591988 IZHNOMGRWBGUMM-VWLOTQADSA-N 518.038 6.112 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314618446 NRBZKSHLYSAXAS-XIFFEERXSA-N 620.709 7.043 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618967 XMXPDUFEFSGILC-VWLOTQADSA-N 659.573 8.779 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)cc1 2314646533 AOFMLYBWJOMRHU-DHUJRADRSA-N 746.845 7.197 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646714 KOUOAVIBPSSHAP-NDEPHWFRSA-N 618.715 5.245 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCC(C)C)c(=O)oc3c2)cc1OC 2314751063 NGARQVZYUKIOHE-UHFFFAOYSA-N 546.620 5.659 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1OC 2314793197 NGAIHHBPPATOFG-UHFFFAOYSA-N 550.652 7.163 50 10 KKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)cc1Cl 2326685969 QZGRNARHBMDGFJ-SNVBAGLBSA-N 500.385 6.936 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051592 OQEHHPZNROEOMA-LJAQVGFWSA-N 528.568 6.786 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(=O)OC)cc3)n2)cc1OCCC 2331293412 HQMWZXVLXXKIBF-UHFFFAOYSA-N 504.608 6.680 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCCCc1ccccc1 2331456747 AKFKFFYYYZGEQW-UHFFFAOYSA-N 502.639 8.048 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337093322 CTIOMAUQYTWUFC-SECBINFHSA-N 540.250 5.984 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(I)sn2)c1Br 2339673723 DELUCABQGSEMGJ-SNVBAGLBSA-N 581.893 6.074 50 10 KKGE Clc1cccc([C@H](CI)OCc2cc(I)ccc2Br)c1 2367602930 WMVZPVBGKHVKLV-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCCC2)c1csc(Br)c1Br 2369635450 UYZMRSXSIUJFQA-ZDUSSCGKSA-N 501.465 6.689 50 10 KKGE Cc1ccc([C@@H](CBr)OCc2ccc(I)c(Br)c2)cc1 2377622415 QXGWUPZOSSOERX-MRXNPFEDSA-N 510.007 6.015 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 14648343 WHWWSCTVUIKKOA-UHFFFAOYSA-N 518.452 5.468 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)c1 38659628 ISPHFUPGHAJOEW-MHZLTWQESA-N 500.551 5.320 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1Cl 40869968 GOTRSUKYJHBUQQ-GZTJUZNOSA-N 515.780 6.098 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2C)c(OC)c1 40959913 NGOBHAUFGQYJAM-RWPZCVJISA-N 511.416 5.437 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 58891520 NZCKHWDSWOQPLY-WYDFGVIMSA-N 525.443 5.699 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100186871 IHSDEYDHCITJNV-UHFFFAOYSA-N 584.536 5.937 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 100452200 OKLTUGLZDIKZHQ-IPYFEQEDSA-N 591.256 5.663 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242095 DIJIYJUJNARCRA-YMGIJWJESA-N 525.552 5.603 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101339634 WWJJJFLYRTWRNS-AFUMVMLFSA-N 593.437 5.823 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Br)cc1 101363724 QDGSPVYLNKVRBD-HSZRJFAPSA-N 546.204 5.958 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101368274 ADXXYKKPGIRLDS-ASEUVAKXSA-N 545.035 6.610 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 101377234 GCIZRZYYOKPAMD-SANMLTNESA-N 533.968 6.255 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc(OC)c1OC 101393531 MNUQRTMUEKBBGX-VWLOTQADSA-N 591.414 5.967 50 10 KKGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 101762440 ONEKBRASSAJNKK-KGENOOAVSA-N 559.457 5.015 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 101762450 FHWUNGBVICPMFU-HYARGMPZSA-N 581.463 6.162 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c(C)c1 102460285 WIKZUQDOTRCLJH-GOHCDNDPSA-N 522.457 6.675 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccc(Cl)cc1 102934470 AMQMHEXLSOXWOY-MFOYZWKCSA-N 572.799 6.240 50 10 KKGE COc1ccc(-n2c(SCC(=O)/C(C#N)=C3\Nc4ccccc4S3)nc3sc4c(c3c2=O)CCC4)cc1 103077894 QWBBLABZNWGCDP-HKOYGPOVSA-N 544.683 5.559 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccc(C)cc3)cc2)c2ccc(C)cc2)cc1Br 103749399 SZKMSJFAQXOVOS-GZZLJNBRSA-N 620.569 6.624 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1 137644961 PWWZFEKTCNPAAS-VCHYOVAHSA-N 533.647 7.517 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433288 JTTHFHKUXBYRGX-MGBGTMOVSA-N 647.511 7.182 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 150461107 OIBADLRXGLOQJV-MGBGTMOVSA-N 659.566 8.506 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 150484433 YLLPBRNECXOAMA-SSEXGKCCSA-N 631.523 7.909 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C)cc1 150498694 OBFVYBHZGZYIJL-XAZZYMPDSA-N 631.017 7.755 50 10 KKGE O=[N+]([O-])c1cccc(/N=N/N(CC(Br)CN(/N=N/c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)c1 164611190 XSOBAOZIVDULRS-JWTBXLROSA-N 693.431 7.794 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1 164626171 OIMXEIRJTGUSSP-FDALDRLYSA-N 687.432 8.719 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 164637201 UKPBNHREEVKLJZ-FDALDRLYSA-N 652.545 7.655 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O 195769795 FOAZHAUAMDIHLV-ULNSLHSMSA-N 576.100 8.874 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@H]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C 200223113 AEYODSVVEHKWAU-FSWPNNSKSA-N 594.801 10.075 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C1=O 214242604 VVBZOJJCVYHTQF-UQQQWYQISA-N 504.590 6.458 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214278418 RAPFSDPVCKZVAL-QRQIAZFYSA-N 514.585 5.649 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214336239 XXAMYJUOIGDKHH-KWAZPOIMSA-N 542.639 6.680 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 214387992 GVJOGFLUAXEJOM-MIXAMLLLSA-N 586.648 6.239 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214426288 QMADRPPGPKJUSE-QRQIAZFYSA-N 552.631 5.120 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Cl)ccc1I 236226049 XSMRHIXQCOTGIL-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)c(F)cc1Br 236235970 TVSGYIAOWAKANW-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE CC(C)Oc1ccc(-c2cc(C(=O)NN=Cc3cccc(OCc4ccccc4)c3)c3ccccc3n2)cc1 252596711 CLRGWWCMQHNNMY-UHFFFAOYSA-N 515.613 7.032 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 253614639 YQFZNYCPHIXROS-ATDDWAKWSA-N 919.761 9.476 50 10 KKGE O=C(CCn1c2ccccc2c2ccccc21)NN=Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 254377849 JOHTXUHJYQZQSZ-HHHXNRCGSA-N 580.688 6.883 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12 254442124 WKXMDKURZGEARE-WKXPDSOASA-N 626.713 6.445 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 254823450 SFYQQTMPUDCZLJ-PMFGDBDJSA-N 625.125 6.335 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1OCC 254906835 SFUBLUHROZAMMM-UHFFFAOYSA-N 585.748 5.340 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Br)ccc2F)C1 382693169 QGJNAVDGLQYJTC-WMLDXEAASA-N 518.164 5.375 50 10 KKGE Clc1cc([C@H](Cl)c2cc(I)ccc2Br)c(Cl)c(Cl)c1Cl 404903866 CBLOMRYGHGYJMX-SNVBAGLBSA-N 545.256 7.996 50 10 KKGE CC[C@@H](C)c1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721574175 VOCGQJGBRFWDIE-PIGZYNQJSA-N 508.035 7.052 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084014785 KBAFIIRWBQLRQF-HZHRSRAPSA-N 547.011 5.482 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(F)c1 1084192797 UJXWKPIWETWWDU-LICLKQGHSA-N 564.238 7.418 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 1084279223 RYAXVZBAFNBKAH-UHFFFAOYSA-N 529.596 6.494 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084386170 FAYSYBUYAOWLMB-XMMPIXPASA-N 580.306 6.698 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)cc1 1084427756 MHANODIGZYELNL-UHFFFAOYSA-N 575.452 5.752 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccc(-c2ccc(Br)cc2)o1 1084517760 YJRAKRWXBNHFRM-UHFFFAOYSA-N 517.386 5.469 50 10 KKGE Cc1cccc(Cl)c1OCc1ccc(C=NNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)o1 1084593419 TTYKZIFAXBHKBQ-UHFFFAOYSA-N 559.051 5.706 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1 1084637603 YIQPQRSSLQOXIN-UHFFFAOYSA-N 599.650 6.059 50 10 KKGE CC(=O)O[C@@H]1[C@@H](O)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1531862448 AKQMIBOCIKDUBX-YSLHKSLUSA-N 558.788 5.998 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744027 QCCCYLABRMZXMX-UHFFFAOYSA-N 516.395 6.226 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744171 RHLXPTXETNYMGY-UHFFFAOYSA-N 545.231 5.836 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC(=O)N1CCOCC1 1772755239 WKNNUDGYUSUZIZ-UHFFFAOYSA-N 654.008 5.105 50 10 KKGE C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C 1848439519 KNJXRQKJUNTHKA-HHHXNRCGSA-N 654.755 6.688 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690462 RXTXVHORTCCQRT-AREMUKBSSA-N 538.529 6.841 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692256 AEFITRDMNGMYDI-NDEPHWFRSA-N 575.496 7.327 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865693235 MMDTVDJVLLCECV-RUZDIDTESA-N 527.024 6.267 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865694793 BTCPIQMLULOPJQ-XMMPIXPASA-N 566.967 6.659 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701052 KNRFDDKZMNMQRA-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703135 NTLUUHCPHHKJAS-SANMLTNESA-N 531.443 6.598 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703917 IRHNRVWRCZGMKT-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866676038 RLVMROUDNDXDCF-SANMLTNESA-N 526.618 5.141 50 10 KKGE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866680312 NIBCHLXBJMKYSY-MUUNZHRXSA-N 504.656 5.987 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866742850 QCTAMJFZEYOLFV-FQLXRVMXSA-N 513.707 6.879 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866985948 XIUSTKIJYAGWMB-JWQCQUIFSA-N 544.479 6.811 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Br 1867212171 VPRPVYAZIBWVOZ-ZEQKJWHPSA-N 566.521 6.657 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccccc3)n2)cc1 1868365533 RTXRNTUPDCNEDE-UHFFFAOYSA-N 522.634 6.828 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc5c(s4)CCCC5)CC3)n2)cc1 1868527881 JTODBOWXUPTLNH-UHFFFAOYSA-N 568.772 7.578 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1 1872753091 HGLBLSXOZQNWQW-BZZOAKBMSA-N 510.059 7.035 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872755870 KHVXDBGQYOEIDH-SILNSSARSA-N 514.390 5.995 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872792073 CUXHDUZMTGBKQN-KGVSQERTSA-N 506.175 5.834 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OCC 1872793580 IDJKMSBLLUKWDY-XDHOZWIPSA-N 513.059 7.513 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 1873794334 DVZYFNNTYNLXOE-PGLHNWFYSA-N 504.027 5.317 50 10 KKGE Brc1sc([C@H](Br)c2csc(I)c2)cc1C1CC1 1945802691 FHHRTIZNVVQCNL-LLVKDONJSA-N 504.050 6.538 50 10 KKGE CC(C)[C@H](Br)C(=O)Nc1cc(Br)c(I)c(Br)c1 1946433492 AERUQJNFJZGMFZ-VIFPVBQESA-N 539.831 5.174 50 10 KKGE Fc1cc([C@H](Br)c2csc(Br)c2Br)c(F)cc1Br 2032958587 HSJRLTLSSINXJA-VIFPVBQESA-N 525.832 6.798 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(C2)CC32CC2)c1Br 2064003164 VHMDAUYYAWDHKG-PHATYLTASA-N 519.922 7.052 50 10 KKGE COc1ccc([C@H](N[S@@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1 2080760561 QQLMJYVKSJQTCR-UTAREIRGSA-N 633.794 8.026 50 10 KKGE C[C@@H]1COC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493823 HMDCBKYYUWUPRQ-OXOINMOOSA-N 570.739 6.455 50 10 KKGE CC(C)(C1CC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496887 YFEIJSGNHHQZFG-LBPRGKRZSA-N 524.316 7.453 50 10 KKGE ClCc1nc2cncc(Br)c2n1-c1cc(I)ccc1Br 2151788670 BZJMVEGOHOUNLC-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE O=S(=O)(c1cc(Cl)cc(CBr)c1Cl)N(CCC(F)(F)F)Cc1ccccc1 2179863984 UWMPYAHENDGZLV-UHFFFAOYSA-N 505.183 6.032 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)c(F)c1Cl 2201608716 QMMHBZCNIKOUET-LLVKDONJSA-N 601.248 7.232 50 10 KKGE Cc1cc(CN(C)c2c(CBr)ccc(Br)c2Cl)sc1Br 2202302956 YTYDJPTZENXMOQ-UHFFFAOYSA-N 502.497 6.766 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1C 2221246387 OWLFMTUCRAYYTL-MRVPVSSYSA-N 537.962 7.507 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1 2295489452 BSYWYOXNILHRIK-UHFFFAOYSA-N 581.887 6.894 50 10 KKGE Cc1c(C=C(C#N)c2nc3ccccc3s2)c(C=C(C#N)c2nc3ccccc3s2)c(C)n1-c1ccccc1 2297612503 QNSBCYSLTKVAFB-UHFFFAOYSA-N 539.689 8.442 50 10 KKGE FC1(F)CC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2299032613 LCEKYRAAZSTTDT-CRCLSJGQSA-N 517.853 6.907 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Cl)ccc1I 2303545655 VGZCHPYZHLJSMS-OAHLLOKOSA-N 522.608 5.045 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1F 2313570595 AQTUKNRGQDPBHC-UHFFFAOYSA-N 550.211 7.028 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 2313676617 KYNTWXQYVQDIQH-UHFFFAOYSA-N 530.249 7.443 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 2314414784 MDQBNXPUSWIPAK-UHFFFAOYSA-N 517.610 6.457 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314478901 WVCUNQTXKCHTMV-UHFFFAOYSA-N 534.106 7.423 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)sc(C)c1C 2314482810 WRXCSCIAVPONOP-UHFFFAOYSA-N 572.690 7.607 50 10 KKGE O=C(CCCN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 2314488647 LYEVNEIMZMYNDU-UHFFFAOYSA-N 551.159 5.651 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591866 GKIGCPGZTQZALV-QFIPXVFZSA-N 524.429 6.067 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593931 WBGRNXXCVTZBQR-OAQYLSRUSA-N 528.417 5.338 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314619524 AEUSGAWWNCRSFC-UHFFFAOYSA-N 549.974 5.893 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)cs1 2317403012 KHHXVDPOSPSEOU-JTQLQIEISA-N 521.869 6.967 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1C 2331485626 MTQMALDUGXGLTR-UHFFFAOYSA-N 517.050 7.741 50 10 KKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Cl 2351643119 SBIFCCHRIBQINP-HXUWFJFHSA-N 519.035 7.958 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362254646 SOPBEBWQYIWMEN-JTQLQIEISA-N 509.826 6.137 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739722 AMJOZWZOEILCKM-CHTIKVTKSA-N 502.039 5.434 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NC1CCCCC1 35446238 LIIHEYLLOZFQSL-XIEYBQDHSA-N 520.608 6.613 50 10 KKGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 40658775 SBMDUWXVZUNEBU-UHFFFAOYSA-N 503.828 5.106 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2)c1ccccc1 40822075 QFPHCFNECOFSBP-ZTKZIYFRSA-N 514.409 5.797 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 100236388 ZFHJPWZMBVIQAX-LPSZMKJGSA-N 605.529 6.943 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101241605 DIXBZWORLDSRDY-JSIHEXFSSA-N 510.457 5.301 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101360459 AXOQPJLIPANEQD-AREMUKBSSA-N 533.422 5.949 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc(C)c1Cl 101370978 IYEJBBRYARWHNV-QHCPKHFHSA-N 529.807 6.466 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 101374617 KUSCWCKBGQKVIY-WJOKGBTCSA-N 556.659 6.879 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386766 DOMVBRGFLMTKTG-QPHCHLROSA-N 584.575 6.143 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387277 RDRLPSKJCLMARQ-MGBGTMOVSA-N 580.612 6.233 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388468 CPWSXZJBKRGJSP-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 101397610 UDKVAUNCMXNGNY-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399060 UBQMRZJPMPNGRJ-MGBGTMOVSA-N 621.089 8.036 50 10 KKGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c3cnn(-c4ccccc4)c3n2)cc1 103147292 ZQGLRCBVVNIPOS-GDLZYMKVSA-N 551.094 5.734 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(F)cc1 103879923 BIVSOHCRPKGKHM-FNTLCPBMSA-N 573.668 7.672 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)sc(C)c1C 103880070 LDQUNGFXMMIVTN-KKMKTNMSSA-N 542.455 6.222 50 10 KKGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 104768243 MAGPOUBCMZGDOE-DFKUXCBWSA-N 543.693 5.482 50 10 KKGE CC1(C)C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCCC(=O)NCCSS(C)(=O)=O)c2ccc(S(=O)(=O)O)cc21 150345624 MFPGKVQEXCANBT-UHFFFAOYSA-O 855.112 5.809 50 10 KKGE in-vitro C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150404901 WWCLHVUBLYHCCY-NSHDSACASA-N 635.534 5.774 50 10 KKGE CCOc1ccc2nc(SCC(=O)NNC(=O)c3ccc4cc(C(=O)NNC(=O)CSc5nc6ccc(OCC)cc6s5)ccc4c3)sc2c1 150431166 QQTIXGVIZMAXHS-UHFFFAOYSA-N 746.918 5.963 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 150478063 WEEGHUPMNJKTOL-HKBQPEDESA-N 649.958 8.842 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)c2ccc(C)cc2)cc1Br 164603082 NSTAVSNALXWOBX-KCSSXMTESA-N 671.411 6.688 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 234974469 AONIWHZOVVAFFO-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1cc(Br)ccc1Br 236038317 SHYWFVWQDDOKCG-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2I)c(Cl)s1 236071161 LQSSJMHUCNDZIC-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE O=C(/C=C\c1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 252615791 JUYLFDUFVYXNQM-MDXPLVRSSA-N 555.428 6.117 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3c(C)cc(C)cc3C)n2-c2ccccc2)cc(OC)c1OC 252627379 RTBCXPNGQAQKMO-UHFFFAOYSA-N 545.665 5.128 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1c[nH]c2ccccc12 252637582 XTUVPZSEFLRRBC-GOSISDBHSA-N 530.057 5.645 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1O 254557050 CVPIASNAPAFOKN-KRWDZBQOSA-N 521.046 5.219 50 10 KKGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(Cl)cc1 254847020 ROXGVXVMRABZRV-UHFFFAOYSA-N 524.438 5.190 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccccc1Cl 256028254 BGCBXNLJSSTFBS-UHFFFAOYSA-N 617.978 6.841 50 10 KKGE C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@@H]2[C@H](C)C=CC3=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]32)O1 504145285 ALHDGNSPBBXBJX-QXBBXKAHSA-N 981.707 14.369 50 10 KKGE O=C(NC1(CCBr)CCCCC1)c1cc(Br)ccc1I 687327595 JGNUXAOPQJIKTC-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)s1 707814197 ABFVKRPKIDDVLH-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE CC[C@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2C)CCN1 725238978 UTNAGCFSUSKPIC-FNZWTVRRSA-N 512.075 5.372 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 725325592 VUTHQYZFBBMHHX-UFLJSLQGSA-N 608.518 5.590 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 725440047 OYNVYZYPHRDNKH-QFIPXVFZSA-N 640.259 5.439 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 1083853527 FQXHOBODUPJMME-UHFFFAOYSA-N 503.474 6.495 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084019595 PTBJZOJRJYSKTF-UHFFFAOYSA-N 531.609 5.059 50 10 KKGE COc1ccccc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1 1084025842 WVLSMTDGIGZKSU-UHFFFAOYSA-N 591.089 5.337 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Cl)cc1 1084152684 XRGNEVQQOQIRLQ-UHFFFAOYSA-N 530.355 5.358 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1 1084226745 CSZSZOKYHVURDP-SANMLTNESA-N 517.423 6.145 50 10 KKGE COc1cc(C=NNC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084272609 KNJKAECATNMROC-UHFFFAOYSA-N 582.347 7.035 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084365277 XLBUIPSIBDBWGO-HYARGMPZSA-N 624.435 5.043 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1 1084610991 NWLDVCBROZBOJZ-TURZUDJPSA-N 596.525 6.836 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 1084620050 BTIWJGNEFNJRCW-UHFFFAOYSA-N 512.075 5.682 50 10 KKGE O=C(NN=C(c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1)Nc1ccc(Oc2ccccc2)cc1 1088673912 AFKMTPVCFBIJAY-UHFFFAOYSA-N 507.924 7.308 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2C)c(OC)c1 1772755590 NGOBHAUFGQYJAM-UHFFFAOYSA-N 511.416 5.437 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)ccc1O 1865681788 WYLJIXWZZWYJLR-RUZDIDTESA-N 546.986 5.722 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccc(C)cc3)cc2)cc1 1865694399 XNLYZHYRWKRCRA-XMMPIXPASA-N 516.523 6.305 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865696361 ZTAOLPKBSALIDB-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865696731 JPYKLOOWQJSGPS-HHHXNRCGSA-N 506.606 6.253 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697778 BNUVIFLPKKQGOI-RUZDIDTESA-N 526.980 5.250 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc(Br)ccc1F 1865701945 JCWOEKSJTKTJPO-MRXNPFEDSA-N 545.693 5.862 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703888 IAZCDOSYDAGAHE-PMERELPUSA-N 533.031 6.844 50 10 KKGE CSCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134473 OENAELDPDHYYOH-RPBOFIJWSA-N 568.562 6.421 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)nn1C 1868414632 OAVUMSHSTNJIBZ-UHFFFAOYSA-N 517.062 5.935 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414925 QLZSPVJTQPZVQD-UHFFFAOYSA-N 566.134 6.960 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@@H](Cc4ccccc4)COCC3(C)C)n2)cc1 1868527528 DABBQUADRJXRPK-SANMLTNESA-N 551.716 7.086 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1872751499 KTHIAJAVXGZJBQ-FLFQWRMESA-N 515.635 6.461 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1Cl 1872755706 AXVBLJAQNYPTKG-PGMHBOJBSA-N 503.451 7.603 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1Cl 1872757804 WUYHDZDWGILKRI-AAUPIPAWSA-N 516.406 5.980 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 1873941018 RYFBUGOTYQMGBT-XDOYNYLZSA-N 501.564 5.212 50 10 KKGE Clc1cc(COc2c(Br)cc(Br)cc2CBr)c(Cl)s1 1883051473 BSQVSGDLJIAULV-UHFFFAOYSA-N 509.872 7.054 50 10 KKGE Cn1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)nc1Br 1924609461 YAJRFJKQAMSJLX-LURJTMIESA-N 528.289 5.860 50 10 KKGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924615200 XPXOJDQGDABZAB-SJIRYBADSA-N 513.871 5.276 50 10 KKGE Cc1csc([C@H](Br)c2sc(Br)c(C)c2Br)c1Br 1950882860 XGCWJIUVSSAJCL-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Clc1cc(I)c(OC[C@@H](CBr)CC2CC2)c(I)c1 2050057425 PCKRWFOQKUPOFY-SECBINFHSA-N 555.419 5.739 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(I)sn1 2056493874 OFIKEZHVGMNMNA-LBPRGKRZSA-N 502.997 5.312 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2083333764 IXLGIFYSBAGCGW-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE C[C@@H]1C[C@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2085496153 VQZQUFWWDHEMCG-FEQVJCLUSA-N 522.300 7.063 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1cc(Br)ccc1I 2104784332 UFELCPBACZFTPU-LLVKDONJSA-N 534.844 7.039 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(F)c2I)c1Br 2138860499 BJXLMTQZQJDGKL-CYBMUJFWSA-N 562.840 6.748 50 10 KKGE C[C@@H]1CC[C@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141468749 NFBWZYDKZPDWLU-PRJMDXOYSA-N 584.766 7.130 50 10 KKGE C[C@@H]1OC2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141471157 OQIRQKONPOSEJO-UPDSPZSASA-N 538.299 6.584 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1C 2141477650 SMLZUWSCSZISTC-ZDUSSCGKSA-N 552.351 7.743 50 10 KKGE Clc1cc(COc2ccc(Br)c(CBr)c2)ccc1I 2142947613 UEBAOFHAHLBLOC-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC3CCC2CC3)c1Br 2206396760 ARMQDULUKHWOQG-YYQWEOLTSA-N 594.805 7.999 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1Br 2206397080 DTDSOAYGNKPLDJ-ZWXUMNIFSA-N 592.789 7.465 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCC[C@@H]2OCC3)c1Br 2206397252 HCNZUHYTMLROGN-HERUPUMHSA-N 596.777 7.132 50 10 KKGE FC(F)(F)C1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206400332 BOQADMDCHRMTMY-PACJAATDSA-N 608.710 7.761 50 10 KKGE Cl[C@@H](CC1CCCCCC1)c1c(Br)c(Br)cc(Br)c1Br 2206405348 JCZLRXDHGNGUAK-LBPRGKRZSA-N 552.370 8.377 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)c(C)c1Cl 2232517290 RGFDSWGNZANZHR-ZDUSSCGKSA-N 501.509 7.644 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1C 2236020556 DSTRJRGUABLAGE-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2270461277 ONGUITAFRXEMOT-MRVPVSSYSA-N 532.281 7.810 50 10 KKGE Clc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278104444 YPFUFCMULHDJLK-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1scc(C)c1Br 2295371359 YECUJQJWNLAGIW-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE CCOc1ccc(NC(SCc2ccccc2C)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414589 QYBVNVWBJQSEFD-UHFFFAOYSA-N 501.608 5.519 50 10 KKGE CCCn1c(C)cc(C=C(C#N)C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)c1C 2297487858 FIXXMNYSJBRYCG-UHFFFAOYSA-N 522.646 7.711 50 10 KKGE O=C(CN1CCN(Cc2nc(-c3ccc(COc4ccc(F)cc4)cc3)no2)CC1)N/N=C/c1ccc(OCc2csc(Cc3ccc4c(c3)OCO4)n2)cc1O 2297719249 UBTUDBNKVUIOLS-PZUSPJSTSA-N 791.862 5.783 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2ccccc2c1 2313568601 VCXHIYAYJGOOML-UHFFFAOYSA-N 541.445 7.434 50 10 KKGE CCn1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2314496136 YKQATZHKOICQOM-SFHVURJKSA-N 529.070 6.491 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314616763 JFIQPMFLNUPUEL-UHFFFAOYSA-N 591.111 7.207 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314620138 KJGZSHKMAZDALR-UHFFFAOYSA-N 614.746 7.342 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314621136 ZILWUSVPIRRORM-UHFFFAOYSA-N 634.664 5.429 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 2314640790 ZMZZUNBOKQWICF-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE CCOc1cc(C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc(OCC)c1OCC 2314736940 CKZNHWUEEVYABM-UHFFFAOYSA-N 544.604 5.334 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nscc1Br 2317399600 PGPLNDRIAHVNKH-VIFPVBQESA-N 522.857 6.362 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(C(=O)NCc4ccccc4)cc3)cc2)cc1 2321698132 LFXMLDJRRYKWNA-UHFFFAOYSA-N 507.590 5.033 50 10 KKGE CC(C)c1ccc(C=CC(=O)NCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 2325747238 IBPUCMMVYUOXHU-UHFFFAOYSA-N 534.663 5.223 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Br)cc4)cc3)nc2c1 2331046509 JPMDPZKJGJFQKC-UHFFFAOYSA-N 516.351 5.528 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123489 FUPOPDAMUXBPFP-UHFFFAOYSA-N 555.450 5.925 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231940 UYNMTDNFJTVEAS-JOCHJYFZSA-N 521.598 6.109 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1 2331245524 UPPAPWZEWKIXCX-UHFFFAOYSA-N 511.990 6.776 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331311012 DFLMHIZAXYGHHW-SANMLTNESA-N 505.599 6.127 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882460 KAGXHDDHZWTVMR-GMOBBJLQSA-N 505.541 7.969 50 10 KKGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362254698 MUUFZIXKFGDDOT-WKEGUHRASA-N 513.448 5.265 50 10 KKGE CCN(CC)C(=O)c1cc(NC(=O)[C@@H](Cl)c2ccccc2)ccc1N1CCN(c2ccccc2OC)CC1 749824 JLKXPMQHRIMYIL-NDEPHWFRSA-N 535.088 5.422 50 10 KKGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1C#N 8576073 AYLBRTRRZUFXMG-UHFFFAOYSA-N 555.638 6.062 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 12570239 LCCOPTDNECUHAZ-UHFFFAOYSA-N 516.450 5.006 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCOCC1 33342529 MOJYSTBUHZHGEQ-MOHJPFBDSA-N 525.008 5.537 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC1CCCCC1 35446078 HERNKFOYJCNUDV-XIEYBQDHSA-N 520.608 6.613 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 38608538 OSJRRTGEHRPJEN-ZMOGYAJESA-N 522.557 5.185 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 38650935 WTQFKEWYVYIISX-SSEXGKCCSA-N 518.569 6.102 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(C)cc2)c1 38686620 HKAUQHPSWLHUCN-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)c(C)c2cc1Cl 38687087 FIEHJSJPNWOVPU-HHHXNRCGSA-N 512.993 7.264 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 40911598 IHCWMOWDPBONDY-IPPBACCNSA-N 501.410 6.234 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 58889245 UXPHIDLRIMJTTE-MGCJZSHXSA-N 519.798 5.785 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 58895441 VFFHUKOYNPXNAU-ABZYITTCSA-N 501.410 5.935 50 10 KKGE CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 59305467 HFQGVZCRWAHEME-PPOKSSTKSA-N 500.646 7.187 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100182034 LETMVJRLYNRGBB-UHFFFAOYSA-N 589.556 5.342 50 10 KKGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 100870090 GDJZFURDNVBDFU-AVEIJRTDSA-N 614.791 5.380 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 101012591 NWIUWTJLBNKARS-ITYLOYPMSA-N 528.587 7.112 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 101022787 JNQHKIBLRXYVJA-JXSFTQTRSA-N 543.095 8.883 50 10 KKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 101115810 SDIPZZMQVSCLEN-LGMDPLHJSA-N 531.366 5.112 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1 101367278 LDUDJCDHORRUFT-WJOKGBTCSA-N 613.464 6.239 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101370526 PUZFFQRVNRTZAS-RUZDIDTESA-N 535.394 5.684 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101385988 ZTRRXIJUVMFFEX-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1Cl 101393606 BYLUETJQVRMBCM-RUZDIDTESA-N 618.311 7.381 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612442 USCYXZQGOVGGKV-ZCTHSVRISA-N 549.499 5.169 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3OC)n2-c2ccc(Cl)cc2)cc1 102644661 LQKBZXDRJTYPNN-UISFIODKSA-N 534.041 5.512 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 103797458 XHCCREQEQXZOKP-KKMKTNMSSA-N 528.790 5.807 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150461990 ODDSRRLAVNHYKF-GDLZYMKVSA-N 663.966 8.886 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 150464086 DJXNJRWTMFXBPZ-FLFHKRBWSA-N 680.758 5.783 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 214404602 AARRUQHVKFMVIM-OOAXWGSJSA-N 530.665 6.278 50 10 KKGE Clc1cccc(C[C@H](Br)c2cc(I)ccc2Br)c1 236065960 NEQKONWXZJQVNK-AWEZNQCLSA-N 500.399 6.386 50 10 KKGE Cc1cc(OCc2ccc(C=NNC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)o2)ccc1Cl 252597244 CQJHEPBXOYBWJZ-UHFFFAOYSA-N 504.351 6.361 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254516065 RNLDPHTZAJVDRT-RDMVCIIFSA-N 546.671 6.033 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 254713326 ATCSNNRQLKIAAL-UHFFFAOYSA-N 507.619 5.729 50 10 KKGE Cc1cccc(C(=O)N[C@@H](Oc2ccc(C=NNC(=O)c3ccccc3)cc2)C(Cl)(Cl)Cl)c1 254821874 NEAMJQKJDXLBEE-QHCPKHFHSA-N 504.801 5.264 50 10 KKGE COC(=O)CCC/C=C\C[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O[C@@H]2CCCCO2)C[C@H]1O 256874628 NNCUXEYCPYHOSU-VWJHFATQSA-N 594.865 5.761 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 310345209 PCCDGCYEIBDCNY-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCOC(C)(C)O/N=C1/[C@H](C)[C@@H](O)[C@@](C)(O)[C@@H](CC)OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@@](C)(OC)C[C@H]1C 504483713 SFTHBPKNOPSKEE-BXKZGQKZSA-N 993.479 7.734 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1scc(Br)c1Br 707830751 PNZMPNAWEZNKIT-VIFPVBQESA-N 542.287 7.312 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 1083915908 WEQCORSASGDDSF-JOCHJYFZSA-N 564.249 5.894 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C)cc1 1083921935 BDUBIJDZXTYGNT-YBFXNURJSA-N 560.275 7.588 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2ccccc2o1 1084116054 BLHYJJWEPXWQSI-UHFFFAOYSA-N 654.096 6.905 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 1084274792 QFWCMUDMLXUINV-UHFFFAOYSA-N 572.670 6.526 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1 1084304903 LOGBUMHTSQKGTK-JOCHJYFZSA-N 501.808 5.645 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 1084439905 SUWZQZUMCJTKOS-UHFFFAOYSA-N 515.751 5.928 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 1084453969 UGBBHILGXQFJJD-PTGBLXJZSA-N 502.412 5.284 50 10 KKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c(Cl)c1 1084503324 HSEMAMZLBQOODM-UHFFFAOYSA-N 614.105 8.544 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 1084506163 ZBMJKCZKEDPGLE-JOCHJYFZSA-N 664.409 5.271 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084636941 CVCIFDIQXNSYSY-UHFFFAOYSA-N 608.120 5.060 50 10 KKGE CO[C@@H]1C=C2[C@H](O)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O1 1307258401 SKCXTWWSSAUDLN-DSVGPAFQSA-N 715.048 7.025 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(F)cccc1Cl 1772755086 LVFDBTNKWDWFJQ-UHFFFAOYSA-N 576.502 7.086 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1O 1865684449 QHEDNHAZIROEMO-QFIPXVFZSA-N 502.933 5.323 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865691655 XTWVHJVMBMWQOW-OAQYLSRUSA-N 529.822 5.612 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865693983 NQBQHEWQPGDVEB-VWLOTQADSA-N 514.988 6.398 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865694301 STSWFOQZNCVEKF-NDEPHWFRSA-N 541.051 6.343 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695156 LMGXQMQVPZDXOB-HKBQPEDESA-N 548.687 6.615 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703593 CCXQJGIBDVIDNC-VWLOTQADSA-N 539.517 6.236 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706381 VHCIBRPTEPJJSV-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865707078 NDVXTRYQFALVQB-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709934 KLERXOGZUPAHFF-MUUNZHRXSA-N 573.565 5.599 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867065623 WASPNYWMYJRPCS-HHHXNRCGSA-N 524.646 5.546 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)n1 1868231719 PNTRLVOWZYMMBY-NDEPHWFRSA-N 512.082 7.722 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1868300360 CXBRHDDUUWNJDJ-UHFFFAOYSA-N 518.690 7.453 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1 1868300547 FCZIBVSPWJPWEV-XIFFEERXSA-N 555.707 7.930 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)cc1Cl 1872755726 BZXKJTHUTKOZPF-CLCOLTQESA-N 507.398 7.306 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872757909 BUWABCLJNOQRPC-QINSGFPZSA-N 500.945 5.302 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OCC 1872790187 QMPZZXILFYFKIA-JJIBRWJFSA-N 520.695 8.029 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901582659 RGDBMCYHEFFKAW-CQSZACIVSA-N 506.609 5.761 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1916355113 PYFADUBZDLQZOO-OAHLLOKOSA-N 509.160 5.520 50 10 KKGE FC(F)c1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923067199 ZPPIGAKEQWJNHN-LURJTMIESA-N 501.437 7.410 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 1924579673 IMPQCFMJVZIUSI-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE Fc1c(Br)cccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924593288 DHFMSLAAIBAQIL-QMMMGPOBSA-N 542.287 7.265 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2c2ccccc2)c1Br 1924596967 WCHDRCUWGQABEQ-ATZCPNFKSA-N 529.917 7.275 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2csc3c2CCCC3)c1Br 1924605749 WLIXITNNWVKKMH-SNVBAGLBSA-N 549.973 7.460 50 10 KKGE C=CCOc1ccc(Br)cc1C=C(C#N)C(=O)Nc1ccccc1I 2053623086 DMIVEIAPOCRLAA-UHFFFAOYSA-N 509.141 5.164 50 10 KKGE Cc1ccc(C(F)(F)F)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079251531 VGJFGLJWYXKZNU-UHFFFAOYSA-N 527.044 5.777 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2141476330 ZJOUQMHLMUQURU-SQPCXJJOSA-N 582.750 6.742 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1Cl 2203432357 HUIQYIIMWMXGPL-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2203685301 LTQMAWDHDRWTPE-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1Cl 2206394300 GADIYMLUUNCUDT-QMMMGPOBSA-N 591.150 7.105 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2206396417 WLWMARGDNNLIAQ-ZANVPECISA-N 596.777 7.132 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1C 2206397569 KURHTWNHNXUBNC-ZDUSSCGKSA-N 590.773 7.838 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2207100039 AMFZDSSHFPNXMP-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE COc1cc(C)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2207261353 LEZPKXANYNTPEM-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE CCOc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(Br)c1 2207273304 SXVYNVJHVRAOQS-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE Clc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 2256125609 OQKDMSFYNCQLFH-VIFPVBQESA-N 558.742 7.780 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346040 VUCFBMNEQUDDLI-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Br)cc1 2313518538 IDFYKIFLOHGCAV-UHFFFAOYSA-N 570.281 7.043 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521585 XZPPQIYKIQEMDF-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314489246 RCXNZVJJMZOOOE-UHFFFAOYSA-N 545.374 6.442 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592836 CQLPNSHKPDREMC-SANMLTNESA-N 516.066 6.206 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593307 LBILTVIGXUCARR-DEOSSOPVSA-N 522.457 6.621 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593460 NDKRRIMDKUBSAI-KDYSTLNUSA-N 511.647 5.616 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314610181 DNACNBWIBOSBPE-VWLOTQADSA-N 631.758 5.752 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 2314610799 MKWMUDQWFBPSGV-UHFFFAOYSA-N 510.663 6.434 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314618188 ISYUFTJBGZKRDN-VWLOTQADSA-N 556.666 6.988 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1OC 2314793593 UWOSETGJTIOVMQ-UHFFFAOYSA-N 568.537 7.648 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2331449143 QKSAVBQHTSTSCQ-UHFFFAOYSA-N 507.631 6.358 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Cl 2364072655 XAHPQMZHRGANJK-LLVKDONJSA-N 505.863 6.306 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sc(C)c(C)c1Br 2365229279 YEWFWQAFKWJOID-GFCCVEGCSA-N 549.923 7.584 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)cc1C 2365594853 CNPWNTNTSBNJTL-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 2381248589 XYRHANRDTSCPOF-GFCCVEGCSA-N 503.481 6.935 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14650646 PPHSTGLETJUMAO-UHFFFAOYSA-N 511.416 5.381 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38686153 BROAKYDNTIWRJV-YTTGMZPUSA-N 518.613 6.775 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2)c1cccc(C)c1 40823108 NRLPERDYJNXXNM-VFCFBJKWSA-N 509.404 5.191 50 10 KKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 100061944 ZDWJKLDGAWVVAG-UVHMKAGCSA-N 542.227 6.056 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)CCC1CCCCC1 100141976 QSWSNXPKEUFKFQ-UHFFFAOYSA-N 571.335 5.126 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)c(Cl)c(C)c1 100186544 WDOHMXLPMIIGRA-UHFFFAOYSA-N 570.937 5.393 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 101034400 XPULESFFNNSKGB-DEDYPNTBSA-N 546.446 6.663 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067583 WRGXBSNYZVUHPE-UHFFFAOYSA-N 521.331 5.440 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101079317 OUSZOQBCTFQKDY-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE CCCCc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 101206912 QMNWUTWMTGQENB-QHCPKHFHSA-N 531.987 7.261 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(/N=N/c4ccccc4)cc3)C2=O)cc1OC 101233696 HHRCQRFPXHNOQU-WHIQRSJBSA-N 521.577 5.867 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244419 CASBJHYPOPXVHH-NLTRVXJZSA-N 522.457 6.621 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101337641 NQNXYRDDEILACP-HIYREIHLSA-N 540.623 6.216 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 101378120 KVODGKICVMNVKC-JGCGQSQUSA-N 554.687 7.652 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccc(Cl)cc5)ccc43)c2)cc1 101382507 YARKKWMOISGRLV-WJOKGBTCSA-N 537.015 6.594 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)ccc1Cl 101382933 YLHCNJOXKADFLF-HKBQPEDESA-N 587.459 7.083 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384856 WVFBJEVMAGCOKD-JGCGQSQUSA-N 615.513 8.045 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101388284 HUGGFASKUCIAPL-BHVANESWSA-N 617.101 7.837 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101392722 AQEJWXDVRLMKQC-QHCPKHFHSA-N 567.450 7.053 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101395192 BJXBBUGQWOBYDA-DEOSSOPVSA-N 559.372 5.728 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)c(C)c2cc1Cl 101396437 UCUVKUFWIMJKQQ-LJAQVGFWSA-N 557.046 7.565 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399890 PDIHGOVVXZMRPV-XIFFEERXSA-N 618.661 7.912 50 10 KKGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494285 UYYUZYHWIGHYFJ-UHFFFAOYSA-N 543.893 5.471 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 102563914 WLFMZIXIJGWRNQ-YDYXIROLSA-N 502.527 5.107 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)cc1 103485480 CVKCUDPHXVWBNS-ATVHPVEESA-N 520.954 5.294 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 103748991 FCFMEJIQWQFURF-QOMWVZHYSA-N 538.652 5.248 50 10 KKGE CC(C)(C)OOP(=O)(OOC(C)(C)C)Oc1ccc([C@H](O)CN(CCCCCCOCCCCc2ccccc2)C(=O)OC(C)(C)C)cc1C=O 150358199 SYYNQXNYBXXVPC-MGBGTMOVSA-N 737.868 9.350 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 150440978 OGZLVLAQUXNARC-DBMXBCQFSA-N 710.740 5.320 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462273 GLUVIJJWTGWROR-HKBQPEDESA-N 627.480 8.073 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 195907062 TXHGERUPFAWKNX-ZZSHUHDWSA-N 583.282 7.235 50 10 KKGE in-vitro COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 205662067 GTBLSTXKOQVHTH-SLFHCSJWSA-N 544.607 6.420 50 10 KKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OCC 206397013 UCKXTNTWYMURSP-WHXQNIATSA-N 526.589 5.335 50 10 KKGE O=C(NN=Cc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1)c1sc2ccccc2c1Cl 254836971 WRZDOPKMGMCKJU-UHFFFAOYSA-N 551.480 6.951 50 10 KKGE COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c1 254871249 RXRACYABLMCRLH-ZKKYPTMXSA-N 682.163 5.618 50 10 KKGE CO[C@H]1C[C@]2(CC[C@@](C)([C@@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]5C)[C@H](OC)[C@@H]4C)O3)O2)O[C@H]([C@@H](C)[C@H]2O[C@H](CC(=O)OO)[C@@H](C)[C@H](OC)[C@H]2C)[C@@H]1C 255969178 DHYSCHSUXDLLKZ-IXKRCJJZSA-N 815.051 5.540 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccccc1C 256028615 YDGALZCZRGYOJX-UHFFFAOYSA-N 597.560 6.496 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cccc(Br)c1 311858732 QKEXUKUJFIHJSK-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(I)c2)c(F)c1F 398798828 SLWQGLYXNIIVRB-NSHDSACASA-N 505.897 5.955 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 675031208 NOWYOFIYNIVRBL-HSMHNTNPSA-N 572.064 5.361 50 10 KKGE CN(C[C@@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)C(=O)OCc1ccccc1 725238913 TVUKNKXEEKJCLZ-HFZDXXHNSA-N 608.082 6.197 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)Cc2ccccc2)cc1OC 725401890 MEQYGBUSHLGBTD-UHFFFAOYSA-N 629.566 5.759 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1083914409 XTOSGSOXBKEZAW-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084116740 DYCNXERJAXMSPE-UHFFFAOYSA-N 624.162 7.387 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084123279 ZWYUVABUVKPPKB-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084281709 AWHYJLJIYXMEHJ-UHFFFAOYSA-N 719.485 7.614 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084438708 OBHXNLWMYWIULH-UHFFFAOYSA-N 705.458 7.306 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1cccc(Cl)c1 1084457037 STGYLNYOIHCBFK-UHFFFAOYSA-N 566.677 6.607 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)ccc1OCc1c(Cl)cccc1Cl 1084475866 BCJAENRXNXVXHA-UHFFFAOYSA-N 508.405 6.526 50 10 KKGE COc1cc2ccccc2cc1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084506840 KLJFKPKMMLOMHZ-UHFFFAOYSA-N 528.406 5.334 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 1084547334 PRQABASIZFJPAC-XMMPIXPASA-N 610.332 6.706 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccccc1 1084562633 SZNRSWHBEPJYHB-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1 1084599419 DTIHQAJJNAKRJB-UHFFFAOYSA-N 734.432 8.561 50 10 KKGE Cc1cc(C)c(OCC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(C)c1 1084600582 QMZRXBSLLSVWSY-UHFFFAOYSA-N 503.602 5.647 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1C#N 1084609316 DQIFPOAAPWQRRO-UHFFFAOYSA-N 644.263 6.413 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21 1772720550 PJSWJUMSJDVSSF-UHFFFAOYSA-N 557.448 5.954 50 10 KKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)c1 1772744226 ADZLGROXCVYXSM-UHFFFAOYSA-N 527.362 5.224 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865687793 ANFFSASBUXNBFR-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc(Br)c1O 1865688673 YDXRLPURMKOQGW-LJQANCHMSA-N 560.246 5.282 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865691441 SAQZKJCFVVEOSL-VWLOTQADSA-N 551.485 6.383 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865693697 LVCCGPJFJXXFOS-JGCGQSQUSA-N 568.677 7.103 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694288 WKANTJMIEHOXBI-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865694933 FYKKFCXDEWXQKK-SANMLTNESA-N 521.061 6.333 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696643 PCLCSXBRSPHIIV-LJQANCHMSA-N 506.187 5.233 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCCCc1ccccc1 1865696667 ISNNDZLLWOQSQI-MUUNZHRXSA-N 561.469 6.726 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698357 QULMXJMGJQNABT-QHCPKHFHSA-N 555.448 5.799 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701167 ODFHLFXDVBHDAY-HXUWFJFHSA-N 558.274 5.559 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706135 OPBPIOZAVCGPKW-MRXNPFEDSA-N 528.249 5.522 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707527 YSWAJVBTLSUVPO-LJAQVGFWSA-N 503.650 6.129 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866130595 CFGTXUZKNZCNAA-DEDYPNTBSA-N 534.410 6.044 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072655 ZYEWIUNLNGUNHN-VWLOTQADSA-N 542.686 5.691 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)cc1 1868321008 SBHMNQVAHDQQQE-VWLOTQADSA-N 512.683 6.187 50 10 KKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1)CC3 1868544392 DCCSEYISQDCSMC-UHFFFAOYSA-N 542.712 8.309 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)CC1=O 1872745926 KAXOOVBNRMMASV-FCFMXISVSA-N 508.441 6.289 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1 1872753372 UJCCYYXEXRRYFO-WSQVVZGUSA-N 502.636 7.452 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 1872780608 GFGZWZBUSCMHQE-PCLIKHOPSA-N 515.078 8.458 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924583696 NUKLTNMVUYIOCY-MRVPVSSYSA-N 524.297 7.173 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 1943033480 MMUWFGIOQBWLJH-JTQLQIEISA-N 523.935 7.144 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C[C@H](O)CBr)c1I 1952363012 OTFQVUPSNRJUEJ-ZETCQYMHSA-N 707.910 5.146 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)s1 2029233335 RSTFURFBLTXXRX-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE CC(N)=C(C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccc(Cl)c(Cl)c1)CCC2 2042438410 SIYSFOMLMVHKJF-UHFFFAOYSA-N 506.389 5.901 50 10 KKGE COc1ccc(C2=CSC(=C(C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1OC 2053614486 VIJOAEFQOUYSHU-UHFFFAOYSA-N 535.626 5.168 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2065505700 MKBDPEXOVHDCFS-WDCZJNDASA-N 535.843 7.060 50 10 KKGE COc1ccc(COC(=O)C2=C(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CS[C@@H]3[C@H](NC(=O)Cc4cccs4)C(=O)N23)cc1 2080602256 PORQKGLDUWLIRP-AEGYFVCZSA-O 719.845 5.691 50 10 KKGE CCO[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494233 KPKIIKVLOJVGMO-VCPWFBHLSA-N 570.739 6.598 50 10 KKGE Cl[C@H](c1cc(Br)sn1)c1c(Br)c(Br)cc(Br)c1Br 2085497280 ZYGYURIGNUCYEH-SNVBAGLBSA-N 604.181 7.284 50 10 KKGE Clc1nsc(COc2c(Br)cc(CBr)cc2Br)c1Cl 2110935332 SWGJOQKELLJBGZ-UHFFFAOYSA-N 510.860 6.449 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c(F)c1Cl 2136957109 AVDGEFPIHODLLJ-GOSISDBHSA-N 502.580 7.444 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 2165529420 DKYPGHOGYQGYQL-TVYUQYBPSA-N 676.896 5.456 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 2165530446 JHUHTLMQCZULOU-SGMGOOAPSA-N 535.896 5.930 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 2201080575 ZGOBYLDIGUBPBY-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c1Br 2201083206 XMKCUUZSEVWFKA-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c(F)c1Cl 2201608717 QMMHBZCNIKOUET-NSHDSACASA-N 601.248 7.232 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(F)c1I 2203832532 BVFBCKSWYKSTOZ-CYBMUJFWSA-N 513.970 5.994 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206397648 LNPSLQVENPWUGH-RKDXNWHRSA-N 598.837 8.635 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1 2225635937 YFXNXFMJVBLMDX-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)sc2Cl)c(C)c1Br 2227350022 FYPODZNRSWGTOK-LBPRGKRZSA-N 507.900 7.681 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232512306 NDLCYLSFXDBEEN-NSHDSACASA-N 524.838 7.651 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2nn(C)c(Cl)c2Br)c(C)c1Br 2235605037 QAHOINUBWBLIHW-LLVKDONJSA-N 505.863 6.306 50 10 KKGE Cl[C@@H](C[C@@H]1CCCC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2281370796 JEYJDGRIHVTSMF-KWQFWETISA-N 550.354 7.987 50 10 KKGE COc1ccc([C@H](Br)c2cc(C)cc(Br)c2F)cc1I 2284996604 BJQVYODLVHMIIN-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE O=C(NN=Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293618332 QWBOVNGLICCAIT-UHFFFAOYSA-N 582.827 6.557 50 10 KKGE COc1ccc(-c2ccc(C=NNC(=O)C(=Cc3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1Cl 2295523561 OYHSJGYSMCRXFS-UHFFFAOYSA-N 543.023 5.596 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 2296647823 DUHDXUQVCCUDTD-UHFFFAOYSA-N 635.677 5.590 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc2ccccc2[nH]1 2296846594 ANDCVLNDJFADFS-UHFFFAOYSA-N 511.560 7.198 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521435 NWOQHZYXERCWNR-UHFFFAOYSA-N 536.382 6.107 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc2ccccc12 2313556016 JFOBPASXIBTZNU-UHFFFAOYSA-N 550.058 7.218 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 2313630860 GPPJMGFVUBHYDP-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314593690 RCOOGAKPEDUXBG-OAQYLSRUSA-N 519.976 5.704 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594041 YBDBRYCWRSIXNR-BCHFMIIMSA-N 564.538 7.420 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594121 ZIHUSRLKIKDYFR-QFIPXVFZSA-N 528.417 5.338 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314616965 OBGOEFBBUOFJSP-UHFFFAOYSA-N 561.041 6.550 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314617213 SZQBMJLNKBNDFV-UHFFFAOYSA-N 556.666 6.736 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314618276 KNYKIELQQHPQHV-AREMUKBSSA-N 570.693 7.236 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(I)c1 2317773368 KRWNZPNGCHLHGU-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE CC(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 2331358808 QOAXRLIWMWXSOT-UHFFFAOYSA-N 507.571 6.557 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 2331376003 CAFCGJPXHYFCGB-QMHKHESXSA-N 501.608 5.939 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c(OC)c1OC 2331413625 FWZKCTKIRCOMHL-UHFFFAOYSA-N 507.612 5.619 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1OC 2331418183 OPXMCGCOFQSZRG-UHFFFAOYSA-N 512.631 6.912 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Cl)cc2I)c(Br)c1Cl 2365595976 PQOMPWSWIXJIHW-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)cc2I)c1Br 2365599254 VKIHZRJVAQSFMF-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE Cc1ccc(C[C@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2377330496 QKHXNHRCGKPYLU-HNNXBMFYSA-N 508.035 6.158 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCCCn1ccnc1 2421897 XIMLKWQHXLKGEF-NLRVBDNBSA-N 546.606 5.567 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14668005 XBPCYFAVYNTCKH-UHFFFAOYSA-N 504.208 5.163 50 10 KKGE C/C(CCC(C)C)=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 33768290 AQBZRRLECYEQAS-XYGWBWBKSA-N 510.270 6.641 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38650890 XXXLJTKQPPKHNO-VWLOTQADSA-N 519.941 5.864 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1C 38651740 UJVDBTQXDLCWCJ-RUZDIDTESA-N 505.368 5.269 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38659938 AFGOSTMWQYQCBU-MUUNZHRXSA-N 500.551 5.030 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 38686336 LLQWGZWXZIMRBW-SSEXGKCCSA-N 522.988 6.285 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 38686459 WRHOKGSPONAJNM-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 100030711 IOCQPOSYCKAIEH-SDNWHVSQSA-N 540.483 5.014 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1Br 100173409 GUPLWPLZJQGRSC-UHFFFAOYSA-N 621.779 5.539 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245539 AOGRJVGOWOGKDW-TUJXDINHSA-N 550.511 7.490 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101333293 KXFPVDGGHNCHIW-NJZRLIGZSA-N 570.693 7.209 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101339845 SIMLZHYDPZWJEH-LSFURLLWSA-N 577.420 6.102 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1 101377877 ZHGQYALLZXMEQX-HKBQPEDESA-N 542.632 6.247 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383325 XYOPIJHWYYTDEB-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)sc2c1 101390875 MKWMJTDHKKUIEN-GDLZYMKVSA-N 579.077 7.880 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101394193 GIQWTBAGKSWNKT-MHZLTWQESA-N 524.529 5.028 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397855 GAASWYBDZCROBK-NDEPHWFRSA-N 617.485 8.364 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 105360328 VFTPCODCONHNHM-UHFFFAOYSA-N 545.261 5.133 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1)c1ccc(Br)cc1 118878539 TYXPJKBSEUUKRR-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE C[C@](CI)(OCc1cccc(Br)c1)c1ccccc1Br 162541479 GUURQZILMXLPJQ-MRXNPFEDSA-N 510.007 6.079 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 163293900 NSJGSMFFRWNAQO-BQTHQZBGSA-N 650.308 5.494 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C2=O)cc1OC 214370493 MYSVGZAAOSVHLC-COEJQBHMSA-N 602.691 6.179 50 10 KKGE O=C(Nc1c(I)cc(I)cc1I)c1ccc(CBr)cc1 228126514 OHDNWUICVHPRIL-UHFFFAOYSA-N 667.848 5.648 50 10 KKGE Cc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(C)cc1Br 232344095 WVTCSLQHQSCHPU-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 232483240 VNLKMKWEXLBGGX-CQSZACIVSA-N 525.860 6.393 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)s1 235812332 FOLWQLNUNHNHQT-NSHDSACASA-N 503.879 6.828 50 10 KKGE COc1c(I)cc(I)cc1C=NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 252604139 FWZUNSQMLOGNRV-HXUWFJFHSA-N 622.244 5.361 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 254824154 XKZFTONVXLHEOZ-GOSISDBHSA-N 573.650 5.130 50 10 KKGE ClCc1nc2cc(Br)cnc2n1-c1ccc(I)c(Br)c1 380048007 PVOQQDIKZZUYKP-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE C=C(C)[C@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]34C)[C@@H]12 504238356 PKAPKLCGHVIAEA-YWQADKFWSA-N 598.869 6.889 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@@H](O)/C=C/C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725238881 GXDMPIBEBNMMIY-FANHRCNFSA-N 699.178 10.693 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Br)c1 725403741 APTPWABIEUTWCM-QHCPKHFHSA-N 515.835 5.954 50 10 KKGE CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083817565 POFJFIPDEIUPPA-KMDIBEHISA-N 789.121 7.120 50 10 KKGE O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1083975709 NZFUDWIWFOVOEQ-UHFFFAOYSA-N 503.786 5.726 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1083988469 AAJHKLCKXQOUNX-UHFFFAOYSA-N 576.834 6.338 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1 1084035741 VNVDBZVXSKQLCD-RQZCQDPDSA-N 689.118 7.636 50 10 KKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc(Br)c1 1084101096 QJZNUPBJRQWMNU-UHFFFAOYSA-N 508.250 5.932 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)[C@H](C)Sc3ccc(Cl)cc3)c2C)c1 1084106357 XLCPYIVUILUEKH-SFHVURJKSA-N 518.908 6.758 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1084340438 OZTQMAYMCUQIDU-UHFFFAOYSA-N 547.615 6.541 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084424307 KRTLMAKEFSKKJI-UHFFFAOYSA-N 592.117 5.972 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)c(C)c2)cc1 1084543619 ZBCHTKXXQJDVCG-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1 1084600650 UYUUYKHQHWYGKG-UHFFFAOYSA-N 569.547 6.796 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3OC)CCC4)ccc21 1772745844 JWOVZSMINHOSAF-UHFFFAOYSA-N 534.616 6.447 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683123 GMFSQANZTMJSKG-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865689205 MOQLWFIONUDFIC-LJAQVGFWSA-N 524.596 5.883 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865693323 UTPYGJLOJIYXNP-HSZRJFAPSA-N 523.431 5.408 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865696086 BWJVKBPLNHDRID-NRFANRHFSA-N 527.394 5.021 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710640 DEUDCWMCMNTWFD-AREMUKBSSA-N 538.529 6.938 50 10 KKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865711628 CZKRHKZWTKXPDU-GDLZYMKVSA-N 506.606 5.978 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712782 HUVAGRAGVUMDKO-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866663865 KXYGCDPLPOWRLL-VWLOTQADSA-N 517.010 5.915 50 10 KKGE CC(C)[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866751008 RHNLJWIUTGJEKK-UIOOFZCWSA-N 522.070 6.115 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 1872755009 UMKFFVXTNBVNAH-WTEWXXSUSA-N 510.015 5.883 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c1 1873921084 UOIBRWDTDTUPRV-IGUAEOCPSA-N 521.820 6.503 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915293256 KBHSYRIRHHCAAA-QGZVFWFLSA-N 518.087 6.274 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923067109 YOZBEGKKFSMUAR-VIFPVBQESA-N 538.324 7.482 50 10 KKGE FC1(F)CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924591253 OUYIAUOIMNKSSP-CAHLUQPWSA-N 531.880 7.297 50 10 KKGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984587568 YGEIUKOHXRUEJY-ZAFYKAAXSA-N 509.805 6.670 50 10 KKGE Cc1cc(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1 2053622194 PMBIRELBAZOLNX-UHFFFAOYSA-N 537.545 7.151 50 10 KKGE FC(F)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2115947856 LLAYOCLOUHTOOB-MRVPVSSYSA-N 539.859 7.458 50 10 KKGE C[C@H](CCCCCBr)NC(=O)c1cc(I)ccc1Br 2117896091 XSBWRKFBYITJQP-SNVBAGLBSA-N 503.016 5.127 50 10 KKGE C[C@@H]1CCCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470576 IHFHORYKJOICQQ-RWYTXXIDSA-N 582.794 7.999 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC3(COC3)C2)c1Br 2141470754 KLUSXSQMEKONAE-SNVBAGLBSA-N 582.750 6.599 50 10 KKGE Cl[C@H](C[C@@H]1CCC[C@H]2C[C@@H]12)c1c(Br)c(Br)cc(Br)c1Br 2206395662 PIASGMAGUFKWKX-APOZVJGGSA-N 550.354 7.843 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)s1 2233006999 ABTXWEWKWIMFNN-ZDUSSCGKSA-N 503.481 6.900 50 10 KKGE C[C@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234063049 CCRQGYVARCWMQP-ZBFHGGJFSA-N 511.689 6.383 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)ccc1Br 2246464927 IBNKPGNIGPRCGK-VIFPVBQESA-N 524.297 7.173 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cccc(OCc3ccccc3)c2)c1 2263516438 BZNFNOXDJUFZFO-NRFANRHFSA-N 525.078 7.469 50 10 KKGE Brc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(I)c1 2278093302 YOWKMHAQODXKLP-ZDUSSCGKSA-N 592.941 7.577 50 10 KKGE CCc1nc([C@H](Br)c2ccc(OC)c(Cl)c2Br)c(Br)s1 2283547414 PZWHJEPUNVGLRM-SNVBAGLBSA-N 504.469 6.377 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 2293031450 OEWUXLCXQPIEAF-UHFFFAOYSA-N 511.943 5.781 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1scc(C)c1Br 2295371360 YECUJQJWNLAGIW-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 2297488340 DFOUMMNGGLIBOB-UHFFFAOYSA-N 536.975 6.162 50 10 KKGE O=C(NN=CC=Cc1ccccc1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 2297507755 LKXQFYNEXHRTHS-UHFFFAOYSA-N 517.536 6.597 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OC)c(CSCc2ccco2)c1 2297616745 OHGLQOMYKLLPHU-UHFFFAOYSA-N 544.654 6.782 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2298420704 YOKOQVCFJZMIPW-AYHNYZOXSA-N 507.911 6.908 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1Cl 2314476173 KAIFTXLTDNNCJB-UHFFFAOYSA-N 504.011 6.320 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1C 2314504135 ZUUIYIMLFKXGKA-IBGZPJMESA-N 545.134 7.953 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314616612 FQTAAHHHZLHXKH-OAQYLSRUSA-N 556.622 5.664 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618769 UBPJLZWGOPYVOA-UHFFFAOYSA-N 506.574 5.211 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618906 WLJVWDSCFGKOOH-UHFFFAOYSA-N 635.507 7.811 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643298 ONDHWNSJUNMDQR-DHUJRADRSA-N 588.660 6.818 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2csc(I)c2)c1Br 2315445108 HVHLSXQCDGKGRQ-SECBINFHSA-N 589.287 7.155 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1Cl 2331046575 VOWKETBSPXAPBA-UHFFFAOYSA-N 515.953 5.817 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OCCC 2331293506 SSWXXFGLEGUDJV-JOCHJYFZSA-N 517.651 6.229 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(C)c(Cl)c(C)c3)n2)cc1OCCC 2331293559 ZCPIWJGZFXEMAV-UHFFFAOYSA-N 513.059 7.530 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)cc2C1=O 2331361501 YPKKUXGYYNQEKF-UHFFFAOYSA-N 503.580 5.018 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c2ccccc12 2331404991 BPORAOOQWADQSB-UHFFFAOYSA-N 509.587 6.174 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 2331406363 DEJVTZSSTWDSKK-RUZDIDTESA-N 509.587 6.085 50 10 KKGE Cc1c(CO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)ccc(Cl)c1Cl 2339408973 BUXAEMHBZNBXSN-IBGZPJMESA-N 514.231 6.023 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cn(C)nc1Br 2339656399 NKVCZWXQHCFPKQ-SECBINFHSA-N 519.832 5.639 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2358566132 SLCREIPUKQPHTF-ARGWCVDVSA-N 511.689 6.554 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2364236193 QXQXYMRNYDNGLT-LURJTMIESA-N 591.150 7.152 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365597367 GAQQPSFGRGWKOT-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE CCCN(C(=O)[C@@H](Cl)c1ccccc1)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 16426656 PEWVNASHGBUZOO-FTJBHMTQSA-N 504.030 6.064 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@@H]1CCCO1 34806121 YHTNTCUBDOPMCW-GFPOGIEWSA-N 522.580 5.460 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38683169 GWOKWWFMIFBWAD-RUZDIDTESA-N 519.941 5.864 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 38683818 JVHBUBKPVKQFHK-GDLZYMKVSA-N 514.578 5.385 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 38686569 PGJPYUWRUAFZER-SSEXGKCCSA-N 518.569 6.102 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OCC 54624625 QKCATRUGROLHQN-NLAJEHQSSA-N 507.583 5.752 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12 59333264 VZTKFKHYNDXRFD-JJKYIXSRSA-N 513.641 6.403 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc2ccccc12 100238213 AUGSOCGGMHCWHK-HVAMYGNZSA-N 552.671 6.519 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1 100241061 UHIIMUMJCFXHND-UHFFFAOYSA-N 606.123 5.386 50 10 KKGE O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 100399678 BYBIEHDEDXBZMO-XICOUIIWSA-N 548.042 7.017 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034021 FOKQTJTVMKBGIE-VXLYETTFSA-N 552.409 7.551 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)C(C#N)=C(S)N2c2cccc3ccccc23)cc1 101208266 UICZFDLCYHCTHF-GDLZYMKVSA-N 529.625 6.001 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243347 XLFGTVSIYAAAJE-HHUHAWCQSA-N 564.538 7.420 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C2=O)cc1 101340234 ONIBBIIDYAEIDC-QCFMCPCVSA-N 620.709 6.962 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101368250 MBVSYBDFSBHONC-GDLZYMKVSA-N 559.575 5.231 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379156 XIYKWXNQDOSOIF-HKBQPEDESA-N 553.014 6.430 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379330 KAYBIDLFJCDMOR-JGCGQSQUSA-N 567.041 6.684 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)oc2ccc(Br)cc12 101390169 RAERNAWFIMYDSS-SANMLTNESA-N 557.444 7.239 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cccc(Cl)c6c5Cl)ccc43)c2)cc1 101398198 ZBTBHUDUKNGKTC-NDEPHWFRSA-N 613.522 8.533 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCCOc1ccc(C(C)(C)C)cc1 101893025 NJCLLSPJLAKQAC-XLNRJJMWSA-N 533.466 7.059 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(=O)OC(C)(C)C)c1C 102924909 RZADDFAOUASSIP-FOWTUZBSSA-N 574.522 7.051 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 102933468 IDBDGXXKRDLWDB-WQRHYEAKSA-N 555.328 5.333 50 10 KKGE O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 103702950 FJPHHZNTBAWLEX-AMVVHIIESA-N 561.088 6.126 50 10 KKGE C=CCN1C(=O)/C(=N\NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 104994617 KQDFOHUTXXXAOA-ONUIUJJFSA-N 523.656 6.099 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921065 LMCNYCSDWPLKPZ-JZBDPCPVSA-N 505.227 9.203 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 128235334 LJZAIJNEJZEKNF-JTQLQIEISA-N 507.842 6.659 50 10 KKGE CCCCCC(C)(C)c1ccc(OCCCC)c(SSc2cc(C(C)(C)CCCCC)ccc2OCCCC)c1 140601625 DRNHVNSDPTTZOF-UHFFFAOYSA-N 586.992 12.560 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 150401435 HVHOSUUVHCYWCO-KRWDZBQOSA-N 615.640 7.064 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)cc1 150427140 DCOYKMKFWDLZNF-DVMDLWDRSA-N 681.365 6.394 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432886 NBLBGMMUGWKGCE-WHUARKNTSA-N 649.502 7.701 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150469811 IXCZMWBSKMFCMS-FQEVSTJZSA-N 628.723 7.945 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 164621513 NEIBUCAJFCXGBS-LALXJTNGSA-N 673.438 9.593 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 205661836 QNSGNXJWSUBRLH-SLYNQVRGSA-N 528.608 6.719 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccc(OCCCC)cc3)cs2)cc1OC 206694020 HIGIAGFJTISSHS-MOHJPFBDSA-N 533.694 7.502 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214322127 QCSUVIFERIGCBT-MODQRLIRSA-N 534.616 5.184 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214336349 BOCGTQOFEQIPGZ-MGVXIEOLSA-N 540.623 6.458 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)c1 222412490 LTOHPFFYJMDYFK-FSWPNNSKSA-N 522.653 8.043 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(Cl)cc1 254296707 JIYUZHVTDAMOMN-QGZVFWFLSA-N 525.465 5.817 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc(OC)c(COc3ccc(Br)cc3)c2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 254449942 BEXJTHPJOQKMIV-CLJLJLNGSA-N 655.018 6.815 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254619289 MXSROJBNHSTGLS-UHFFFAOYSA-N 568.626 5.811 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=NNC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc1 254702512 PYBDNCVHYIRMFN-MUUNZHRXSA-N 591.527 6.310 50 10 KKGE O=C(NN=Cc1cc(N=Nc2cccc3ccccc23)ccc1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254759755 QKYZDQOIBOIHAA-SJZVLFCISA-N 583.604 6.611 50 10 KKGE O=C(NN=Cc1ccc(O[C@H](NC(=O)c2cccc3ccccc23)C(Cl)(Cl)Cl)cc1)c1cccc([N+](=O)[O-])c1 254806460 TUSMVJKGHFMMPF-SANMLTNESA-N 585.831 6.017 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616586294 HKOFRLLVGWKTHV-QSUVIHHLSA-N 560.801 5.253 50 10 KKGE CCCCCCc1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(CCCCCBr)cc(P(c3ccccc3)c3ccccc3)c1O2 642813958 HHOVBZXNAPCNEZ-UHFFFAOYSA-N 811.825 11.865 50 10 KKGE Brc1cc([C@H](Br)c2ccc(I)cc2)cc2c1OCCC2 689545760 XQQZPMLDVLLCLX-OAHLLOKOSA-N 507.991 5.863 50 10 KKGE CCn1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)nc1Br 698372809 JJOJNKDWOJWZIJ-LBPRGKRZSA-N 515.869 5.983 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 721591015 ZNMFYOKLONJYBI-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc2c(c1)Cc1ccccc1-2 1083859562 FFAGHHMTWQXISW-UHFFFAOYSA-N 530.691 7.767 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1083965808 JKDXWXLWJZSVPJ-GRSHGNNSSA-N 532.369 5.543 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4cc5ccccc5cc4O)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084059165 FECORVLQWBZLKS-ULPIOCOXSA-N 533.628 6.543 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1 1084087761 HWCGZDVGOUJRGH-CIAFOILYSA-N 539.857 7.243 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084191047 SMTBZXQLEFIBDO-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1 1084414209 REKUXXIQJRSHGO-XSFVSMFZSA-N 542.260 7.609 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084494245 ANZYAHMGADDYPW-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 1084547333 PRQABASIZFJPAC-DEOSSOPVSA-N 610.332 6.706 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 1565518699 CLIJEBWEOAONFS-PZXMZKPCSA-N 539.701 6.382 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2)c1cccc(C)c1 1772751859 BEEKERXZWFVPIS-UHFFFAOYSA-N 511.622 6.325 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc6cccnc56)c(C)c43)coc2c1 1772752085 VSUPPKYLVPVXPG-UHFFFAOYSA-N 520.589 6.151 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754141 QKSHNKHTFYMOIK-UHFFFAOYSA-N 508.199 5.864 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686144 RGBCXVQXKYGKEO-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCCc1ccccc1 1865688180 MMURQKMJAQUSFR-JGCGQSQUSA-N 568.677 6.755 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 1865690045 ZORJXJLFBHSWIT-SANMLTNESA-N 567.860 6.947 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865692293 KXZFALZCZRTHJG-HSZRJFAPSA-N 567.484 6.137 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694778 BHVKCXSTLDFGKE-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OC 1865697388 RBJCHEXPLMKVBT-MUUNZHRXSA-N 571.077 6.666 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701278 REWVBGYNKNLFHW-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703703 ZUCAYKABKAYOSP-VWLOTQADSA-N 503.389 6.285 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705220 OXWGPHPZXHOJDB-HHHXNRCGSA-N 536.588 5.279 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706707 CXQVIPHFCWEALD-WJOKGBTCSA-N 525.656 6.833 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712183 RNVRCMRESPXHIZ-NDEPHWFRSA-N 575.466 7.099 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714160 FHCWOHDXWJSBGZ-HSZRJFAPSA-N 547.840 6.241 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)nc(-c3cccnc3)n2)cc1 1868564756 DZPKJTFHYWSADD-HSZRJFAPSA-N 543.494 6.829 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872758115 METGXXHJUZEZOQ-RGKGDZEFSA-N 501.608 5.939 50 10 KKGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)ccc12 1873793996 PUZLQMUMSSBALY-VFLNYLIXSA-N 511.361 5.516 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1csc(I)c1 1899884269 RNFGXINFYOUYQA-SFHVURJKSA-N 564.080 7.179 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922934198 DDYPUBJLXQLDBO-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@H]32)c1Br 1924616371 OBDVUBJWTWHBEV-YYWONIAYSA-N 507.911 6.908 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1C 2039502683 KBNCNWWWHRJJTI-SSDOTTSWSA-N 513.929 7.696 50 10 KKGE CCn1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)nc1Br 2138861336 DFQRLDNULOTYDT-LBPRGKRZSA-N 515.869 5.983 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141470308 GDKZVAHVYTXCKG-QMMMGPOBSA-N 726.540 8.807 50 10 KKGE FC1(F)[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141471534 SNOXURKKRPHUCS-VHSXEESVSA-N 544.253 7.062 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23CC(CCO2)C3)c1Br 2141476327 ZJOUQMHLMUQURU-BZCBFNEHSA-N 582.750 6.742 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cccc(Br)c2Br)c1Br 2148748858 FYWYSGHWNRWFHI-SECBINFHSA-N 557.849 7.539 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Cl)C[C@H]2Oc1c(I)cc(I)cc1I 2173617967 FZVZKXHLSZQRCQ-AXTGTSHSSA-N 628.457 6.065 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)ccc1I 2203829443 JWNLHLBOIZFLGE-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE FC(F)C1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2232334527 ALAKWKKEWXOURS-UTNXVAPVSA-N 546.269 7.308 50 10 KKGE C[C@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN(Cc2ccccc2)C1 2234074793 OAPADLVRWGYCMI-HOCLYGCPSA-N 511.689 6.383 50 10 KKGE Cc1ccc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277955240 IODJOFKWOYYNAC-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1ccccc1 2294193404 MJGYRNVFZMFNCP-UHFFFAOYSA-N 732.097 6.625 50 10 KKGE N#CC(=CNc1ccccc1I)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2295882852 MZAMDIZKLQNXRE-UHFFFAOYSA-N 505.384 7.058 50 10 KKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2ccc(Br)cc2)cs1 2295887857 OBGMRDMYSLXLKE-UHFFFAOYSA-N 508.182 6.154 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2296507203 YETCTZWCEFDZQW-MUUNZHRXSA-N 509.675 6.711 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4ccccc4)c(OC)c3)n2)cc1OC 2296790074 MCKGWVXOGTZCNB-UHFFFAOYSA-N 512.587 6.162 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1 2296846413 JNNLANCSMYYDDD-UHFFFAOYSA-N 520.618 5.264 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 2301118889 IQCYRXDXLZSVGZ-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1cccc(F)c1 2313556000 IKMKTRRHUSQDME-UHFFFAOYSA-N 609.439 6.155 50 10 KKGE O=C(CCCCCN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 2314489082 NRIWUQMKXXOYDF-UHFFFAOYSA-N 579.213 6.431 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(C(C)(C)C)cc3)nc12 2314534156 ZQNUGIQTVUTQHE-UHFFFAOYSA-N 512.997 6.292 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314592507 VVUBLRKWFDUBJD-LJAQVGFWSA-N 539.701 6.801 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592885 DDRNTNDACJHKNM-AREMUKBSSA-N 550.511 6.859 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1 2314616471 BLIKEZAEHVJOOL-UHFFFAOYSA-N 575.581 5.257 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314616725 IGSUVYVDDAMSFL-UHFFFAOYSA-N 634.692 6.948 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 2314634559 IGZROCOJHYSIRE-GDLZYMKVSA-N 510.590 5.838 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 2314640663 IWXLAELNCRWZAC-YTTGMZPUSA-N 530.580 6.111 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1csc(I)c1)CCCO2 2343581218 SEPAIJVLGWGZJQ-AWEZNQCLSA-N 514.020 5.925 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 2353075467 BBUIZMBSQSFDJB-SECBINFHSA-N 572.769 8.135 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(I)ccc1Br 2360493280 PKXOYDLQWCZXQL-LLVKDONJSA-N 617.703 7.746 50 10 KKGE Cc1sc2nc(CCc3ccccc3)nc(N3CCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c2c1C 35866772 BUUYQAWDUOFXSZ-RUZDIDTESA-N 505.087 5.722 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38660057 WUPOJROJFDWCBU-GDLZYMKVSA-N 526.633 6.609 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 38683901 AMSLPXBQNFRDQF-LJAQVGFWSA-N 528.605 6.099 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686512 ULWILZUWAWELFM-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687126 FBSSEPHLNPPNAE-XMMPIXPASA-N 515.034 7.290 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 40514729 JRRXXNPZHSHMAW-JVWAILMASA-N 502.549 5.779 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)c(C)c2)cc(Br)c1OCc1ccccc1 40912397 WESGHXXDNSMISZ-WKULSOCRSA-N 525.443 5.998 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)cc(Br)c1OCc1ccccc1 40912399 SYRVFXVCYIBMAT-RWPZCVJISA-N 511.416 5.689 50 10 KKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 40977770 FNDHPZDPURFUTE-RELWKKBWSA-N 509.027 6.020 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c(Br)c2)cc1 59680258 VEXAGFRXUZECML-RWPZCVJISA-N 508.803 6.338 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(I)cc1 97896152 PSWVMWBYXGFYKL-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(-c4ccccc4)cc3Br)cc2)c1 100174815 KEDPWJKFXVZYCQ-UHFFFAOYSA-N 558.432 5.517 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182141 YSGHZVCVQRRBND-UHFFFAOYSA-N 564.546 5.782 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1 100233691 CTXDLVRHKXEKIY-LCVHJTKWSA-N 559.432 5.538 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380649 UCAAUDHOKQPDHF-PMERELPUSA-N 556.977 6.261 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101385629 ZUGJDNAPHOOHJL-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101390893 PMKCXEGVIYOFQE-PMERELPUSA-N 542.547 5.809 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101395764 ZCWQSCWNHMZAKI-LJAQVGFWSA-N 603.140 8.124 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)OC 103879389 DYJYVMMUBIIMLF-KEIPNQJHSA-N 551.643 5.896 50 10 KKGE O=[N+]([O-])c1ccc(SC[C@H](Cl)CS(=O)(=O)C[C@@H](Cl)CSc2ccc([N+](=O)[O-])cc2)cc1 105418077 UZQMLBRYBSVAPP-KBPBESRZSA-N 525.457 5.017 50 10 KKGE Cc1cc(C(=O)NP(=O)(N2CCCCC2)N2CCCCC2)c(C)n1-c1ccc(OCc2ccccc2)cc1 109045586 MJMRNUDCHGHBKJ-UHFFFAOYSA-N 534.641 6.483 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(Br)c(Br)s1 128229156 OOZMYQHNLFZEMV-JTQLQIEISA-N 525.832 6.798 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 150408569 MTSTWXSNBPUWPI-CQSZACIVSA-N 643.170 6.246 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433296 JTTHFHKUXBYRGX-XIFFEERXSA-N 647.511 7.182 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1Cl 150462039 CDFFOUZGIOAUPN-YTTGMZPUSA-N 714.429 9.504 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=O)=C1C 201289935 NDFQGMFLXKIOOV-NSKQOEHJSA-N 562.879 11.052 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205659019 LEVSPPFHEHCVEN-GRIRWOKCSA-N 506.602 6.386 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 217209807 FJEHMAGAZIJGRJ-FVDSYPCUSA-N 514.629 6.232 50 10 KKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1Cl 236045819 IWQIDQIQWWTCEF-LLVKDONJSA-N 534.844 7.039 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](c2ccc(F)cc2)CC1=O 245189649 ZGLQJEAXPAPZCD-WUFINQPMSA-N 547.743 6.022 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254408074 MLIHSBNVBFCDBH-UHFFFAOYSA-N 513.667 5.873 50 10 KKGE O=C(NN=C(c1ccc(Br)cc1)C1CC1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 254520590 GTZUYTBOAFWBBP-UHFFFAOYSA-N 539.260 7.515 50 10 KKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 254739234 YGYSWKMASDMTAZ-MLVRUFRESA-N 544.702 5.551 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2CO[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)C2 256444317 RYABJKPQYNQPOE-BGLNYYTFSA-N 548.837 6.828 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 264006259 SKNLXHRBXYGJOC-NPTBQESHSA-N 861.062 8.924 50 10 KKGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)cc1Cl 311470097 ILPKTHPHUNBHHE-UHFFFAOYSA-N 539.365 6.734 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c(Cl)c1Cl 404731110 QXDVIZSKLSIFRZ-ZETCQYMHSA-N 504.285 8.215 50 10 KKGE COC(=O)c1ccccc1CC[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 504203775 TTYRCYYRNBZSRU-VLRYHXLNSA-N 572.221 9.541 50 10 KKGE in-vitro CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591380 YUZLCBDCWPRCMA-LBULEFPHSA-N 620.771 6.056 50 10 KKGE Cc1cc(C)c([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 721591260 ZTGJTHJOSQFUHA-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 888085534 MBLFKCMFPFDWCI-LAIVMHLCSA-N 637.081 10.995 50 10 KKGE CC(=O)[C@H](C(=NNC(N)=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1081818067 OWHOMSYXRWWYIM-VCZYCPMYSA-N 563.780 5.496 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2/C(=C\[C@@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1083138967 ZARWZJUOPFZIOB-JQEGOUDZSA-N 637.088 8.632 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1cc2cc(Br)ccc2o1 1083891174 AURKUWUGCSICOP-UHFFFAOYSA-N 528.200 6.301 50 10 KKGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(Br)cc1 1083916540 KEOSTLQEBDVAJW-UHFFFAOYSA-N 519.031 5.202 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccccc4)c3C)sc3c2CCCC3)cc1 1083967982 PMPWLCNDGZANAX-UHFFFAOYSA-N 510.663 6.359 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1F 1083968621 WHEIBZLLLSIHJO-MHZLTWQESA-N 569.471 6.258 50 10 KKGE COC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c1C 1084044264 PVERVTQYKJXMCX-UHFFFAOYSA-N 508.372 5.462 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1cccc(I)c1 1084080056 QFPVJBPRXVUEOA-UHFFFAOYSA-N 616.308 5.718 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1084303861 BDXZMVRJGHXFJT-GOSISDBHSA-N 508.449 6.363 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1ccccc1Cl 1084545968 ZQNNXVAVTAFMRE-UHFFFAOYSA-N 610.183 7.308 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1Br 1084636229 ZCFRUPIUDUNDRE-UHFFFAOYSA-N 599.942 5.676 50 10 KKGE CN(C(=O)c1ccccc1Cl)[C@@H]1Cc2c(F)cccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613988567 FRSZXGUXUDWUDR-RGSGVQHRSA-N 534.897 5.600 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718750 ODXORKIZEJGVMY-HOZVNSKXSA-N 526.829 5.224 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681355 LBFZMVSWCGSQMX-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684137 UMJIDBHKBLMSQI-VWLOTQADSA-N 546.458 6.198 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Br)c1O 1865687768 ACZRMDSXESSRSJ-FQEVSTJZSA-N 509.404 5.291 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 1865690015 ZABCWMUFOASGQF-LJAQVGFWSA-N 522.605 5.694 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OCC 1865690791 BEHFFDSPTWGKTH-MHZLTWQESA-N 516.642 6.019 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1 1865692915 GQOLDPLMOXMCIO-NDEPHWFRSA-N 559.041 6.482 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cc(Br)ccc1O 1865695317 BKJTTYPOLOXIMA-JOCHJYFZSA-N 517.358 5.424 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865695510 DKXMQYVEQMRMTM-VWLOTQADSA-N 507.034 5.943 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697061 VXZGWOPRHXGDTL-LJQANCHMSA-N 530.220 5.274 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865697466 TZMFLZNABYDFRF-HSZRJFAPSA-N 537.458 5.499 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1ccc(Cl)cc1Cl 1865704181 PLSFKDISEXFNMP-XMMPIXPASA-N 533.415 6.200 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(Br)c(OC)c(OC)c3)n2)cc1F 1872752640 MDSVBXHIWHYRIJ-DWIOIQMSSA-N 517.376 6.244 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872782514 JWYWXJHBOBCSSX-RQZCQDPDSA-N 514.401 6.732 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1 1873921002 POZOHFBKOPWSRZ-LVWGJNHUSA-N 515.591 5.706 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914230544 WSRUBXYGHOFJDS-LBPRGKRZSA-N 537.033 5.480 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915130850 QASBEZYWSQSUMP-LBPRGKRZSA-N 510.089 6.089 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915282267 VXMMMQJYSFQQHR-GOSISDBHSA-N 565.087 6.116 50 10 KKGE Clc1cc(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595423 YWCZVSVWTOEXER-SECBINFHSA-N 514.291 7.671 50 10 KKGE C[C@@H]1COc2ccc([C@@H](Br)c3cc(I)ccc3Br)cc21 1925756246 NRBBPMHEWVGIEC-JDNHERCYSA-N 507.991 6.034 50 10 KKGE C[C@@H]1C[C@]1(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780110 PARIDGFFMIYQMU-VVEMVBODSA-N 554.740 7.219 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(C)c2Br)cc1Br 2039336789 YTBGFWLDTHERAX-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)nn1C 2067854087 ANCVFQDCJQLTTM-ZCFIWIBFSA-N 586.767 6.324 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2097826976 HZAGBXHFVHDYLW-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141470458 HFIYRADGGMGWKQ-STQMWFEESA-N 540.315 6.833 50 10 KKGE C[C@@H](CCCCCBr)NC(=O)c1ccc(Br)cc1I 2142288080 IOMQLRPQDKADSL-JTQLQIEISA-N 503.016 5.127 50 10 KKGE BrC[C@@H](Cc1ccccc1Br)Cc1ccc(Br)cc1Br 2148682563 OFSJAGUNEXKPTR-NSHDSACASA-N 525.904 6.770 50 10 KKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2I)c(F)cc1F 2175374300 LKEXHSJTJUXFFQ-OAHLLOKOSA-N 515.961 6.379 50 10 KKGE C[C@@H]1OC2(C)CC1([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206396321 VKKJPDXNXPNNNV-JMFIZIKISA-N 552.326 6.974 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1 2225632970 GUYSWVJNLKNMPL-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 2235607350 FVJXUVGEPZQGQW-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Cc1sc([C@H](Br)c2ccc(I)c(Br)c2)c(Br)c1C 2253504859 NZCARSBJFVXMGP-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3scc(Br)c3Cl)c2O1 2279288426 RQOBLKDGOAIRCP-UPONEAKYSA-N 501.465 6.734 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288344797 NTWCGNIJSOXYGU-NSHDSACASA-N 537.793 6.876 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198305 RZLSUHJYYASERO-RUZDIDTESA-N 536.484 6.087 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2293701523 ZMGRSKAQGOBNFR-UHFFFAOYSA-N 521.649 5.799 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1C 2296506812 GDWUGSKWISOTSW-QHCPKHFHSA-N 522.457 6.675 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507154 VXDHHKZAQOKADE-JOCHJYFZSA-N 508.430 5.736 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=C(C#N)C(=O)O[C@H](C)C(=O)c3ccc(OC(F)F)cc3)c2C)cc1 2297486629 PHMOAVOUCUYOIX-LJQANCHMSA-N 508.521 5.816 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc2ccccc12 2297559010 BAYKQVWIJZXVST-UHFFFAOYSA-N 513.937 6.535 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Br)c1 2300952806 ALZDWCFGCCARKW-LLVKDONJSA-N 506.428 6.561 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl 2313521335 HKTSOBJTPZWIAB-UHFFFAOYSA-N 572.830 6.695 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F 2313566850 BUJBAICUOLPTKT-UHFFFAOYSA-N 560.467 6.151 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)c(C)c1 2313667764 VNBUJVOGQKJICO-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE C[C@@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Br)cc2)s1 2314433810 UPXOUFSRSMQFHF-INIZCTEOSA-N 560.498 7.658 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593763 SHAFLAPCJMRCIM-WXTAPIANSA-N 550.511 6.859 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314616685 HHLVVVAVFXQAOR-UHFFFAOYSA-N 534.660 6.643 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616794 JYPAXQBTWFYHMD-UHFFFAOYSA-N 650.735 6.970 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 2314634867 XVUJIOJIWJTQMD-HKBQPEDESA-N 559.062 7.001 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OCC)cc1OC 2314736175 YNACPPZKBKEKDE-UHFFFAOYSA-N 546.620 6.036 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 2314777496 HONMPIHPEBBYHU-UHFFFAOYSA-N 540.616 5.725 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)nc2c1 2331046565 UKCFFVNCCOXOJM-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330043 NNZLNBUZZNHQHG-UHFFFAOYSA-N 513.575 5.460 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2331454104 WWHFXLMPBSLYLB-UHFFFAOYSA-N 519.623 5.639 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCc1ccccc1 2331463469 LVMNPCDMTCTLEY-UHFFFAOYSA-N 524.686 8.292 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361210651 RXXRCPTVDJFUGR-HXUWFJFHSA-N 500.152 7.531 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(I)c(Cl)c2)c1Br 2362220645 NJBBVRZHAAUUNS-NSHDSACASA-N 617.703 7.746 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362231776 HCPLPAJVOSAXQY-VIFPVBQESA-N 509.826 6.184 50 10 KKGE COc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 2364264017 SGSOERHXZHNWLD-VIFPVBQESA-N 523.899 7.220 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4n3C)c(Oc3ccc(Br)cc3)nc12 33249091 NFIYJIAKFPUOQD-VKAVYKQESA-N 512.367 5.509 50 10 KKGE Cc1ccc(CSc2ccc(C(=O)NNC(=O)c3ccc(SC[C@@H]4CCCO4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 33356887 PJVLZBFBZDIFIL-NRFANRHFSA-N 582.660 5.450 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38650856 DWLVOXGFDGRPTP-NDEPHWFRSA-N 518.997 6.030 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811950 LAFJESHCLSJMRA-INKHBPHZSA-N 507.521 5.955 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 58888990 YJQGKFHZYQIJOO-CHVMBPBASA-N 501.808 5.645 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1C 100185815 WQMPEGBGVXYNGB-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(I)cc1)[C@@H]2Br 100848661 ITOGPPJHFCRJKY-RLCCDNCMSA-N 605.934 5.916 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 101333488 FNFGGXWUVBDPFT-KOEQRZSOSA-N 509.566 5.620 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101334274 MMKDHCMATZTFFY-RCCHARBYSA-N 536.676 6.663 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101335888 DTDGBRWAVYHAEJ-ZTKZIYFRSA-N 552.675 5.983 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 101363519 BQBAGDYGFLGBNE-SPNSGGJLSA-N 529.434 6.584 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 101363901 SQIWQNXDISMCGD-QLXKLKPCSA-N 533.422 6.164 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101367764 YUOGVJISZIXOGH-MHZLTWQESA-N 583.468 7.017 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379128 ZMZZUNBOKQWICF-YQSCABMFSA-N 565.025 6.765 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385810 WRONVJNFZQFBRI-XIFFEERXSA-N 611.094 7.400 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386575 YSEFTWKWUIDBAO-LJAQVGFWSA-N 540.522 5.990 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387163 VBOTVUGQHMDQOW-JGCGQSQUSA-N 566.585 5.924 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2c1 101398020 FVSUFEABYLZCHS-YTTGMZPUSA-N 625.508 8.681 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2cc1Cl 101398406 GYPVGZZTFZHCOM-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OC 103880463 JLWKCAZSZLHXBD-STBIYBPSSA-N 565.411 5.838 50 10 KKGE O=C(N/N=C/c1cc2ccccc2cc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104996798 OMHJWJUMROYRTG-YOIUXKKVSA-N 532.256 5.734 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 105081498 PUHYOLUPDSKKOR-SXGWCWSVSA-N 547.192 6.789 50 10 KKGE Oc1ccc(C[C@@H](CI)C[C@@H](CI)Cc2ccc(O)cc2)cc1 105427693 UEMOIPGZQHIYDB-CALCHBBNSA-N 536.191 5.376 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)cc1 110554577 YSZLQTPPZDPMDL-NLRVBDNBSA-N 524.649 8.101 50 10 KKGE CC1(C)[C@]2(C(=O)N3CCN(C(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)CC3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400385 CMPZMVHCCCRHQS-AFKHHDMJSA-N 859.956 7.029 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 150411039 SXUQJUFSFJNSCH-DBPDFFNYSA-N 731.230 6.697 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461469 XDLYJWUESNBNHR-NDEPHWFRSA-N 698.411 9.540 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 150486144 XVTQYWXKWVEDFS-DHUJRADRSA-N 639.148 8.324 50 10 KKGE O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150570210 QPUGGMQXFAJQII-YSYOEVFLSA-N 638.334 9.016 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)COc4c(Br)cc(Br)c5cccnc45)c3C)sc3c2CCCC3)cc1 164599475 SSSUDGREZVCMAG-OAQMXIGCSA-N 749.529 8.197 50 10 KKGE CCCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 233241378 JRBMLKIZNSTNBL-JFUSQASVSA-N 618.418 5.054 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)c(Cl)cc1F 235862291 GXOBUNZSAAQWSW-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 252589405 AKKYKUIBVYLXPQ-RGNUTHIZSA-N 519.443 5.217 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2OC)cc1 254392152 BUHCVGAIUBOWCM-UHFFFAOYSA-N 512.562 5.386 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Br 254566132 FJOPURJVWUWDKI-UHFFFAOYSA-N 596.659 5.622 50 10 KKGE CC1(C)[C@]2(C(=O)O/N=C3\C[C@@H]4CC[C@@]3(C)[C@@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@H]2Br 256020107 YPMAEAXWRRXLMA-GBXHTAJQSA-N 633.057 6.793 50 10 KKGE Cc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1C 256022841 WESPDTFIEMSQLQ-JEBQAFNWSA-N 508.092 5.928 50 10 KKGE Br[C@@H](c1csc(I)c1)c1cc(I)cc2c1OCC2 302484170 HWURYEOFCHKQAT-LBPRGKRZSA-N 546.993 5.377 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(O[Si](C)(C)C)=C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C 504821462 LLDQVINTBNWOHR-FORGBBKBSA-N 591.038 9.580 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591246 XIJUVZWMRLQMRZ-DDDCIQSUSA-N 834.994 7.822 50 10 KKGE COC(=O)[C@@]1(CCOCc2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654278 OCCPPDNJVIHZIF-ABYGYWHVSA-N 527.734 5.938 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ncsc2Br)cc1Br 705023277 ZIKGQLWZMFKNJP-SECBINFHSA-N 504.867 6.223 50 10 KKGE Brc1cc([C@@H](Br)Cc2nc3ccccc3o2)ccc1I 721577213 JITTUEYFWQJHLJ-JTQLQIEISA-N 506.963 5.874 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1Br 725398051 RFXCVOZQJXYLHQ-UHFFFAOYSA-N 623.573 5.828 50 10 KKGE O=C(NN=Cc1cccn1-c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1083896263 FFHGMGCHVSXYAG-UHFFFAOYSA-N 541.054 8.019 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1083953705 RBDYEYJLOPQANU-DEOSSOPVSA-N 556.413 5.299 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(I)cc1 1083984069 XPDFDOIEXHESOJ-WJDWOHSUSA-N 536.200 6.551 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 1084147043 KGXISVANWYJAOA-VGOFMYFVSA-N 501.151 5.172 50 10 KKGE CCOC(=O)COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084154079 PCZBJLYJCIZSDY-UHFFFAOYSA-N 607.448 5.763 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084168395 JSCRUPMAFJZAKH-UHFFFAOYSA-N 612.933 6.697 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1Cl 1084194488 VLMBDRXDBWQDQB-UHFFFAOYSA-N 548.220 6.854 50 10 KKGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 1084281825 SUWJJSZCOSINTM-UHFFFAOYSA-N 647.968 6.337 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084340457 YTNUOVJYIDNKJX-UHFFFAOYSA-N 645.634 6.867 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1 1084462013 ISYKKDVFXIIPGX-UHFFFAOYSA-N 576.722 6.562 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751502 DRSUYZIXQCNGMS-UHFFFAOYSA-N 527.577 5.389 50 10 KKGE Cc1cc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)ccc1Cl 1772752450 OCBCMCGEBHYRDV-UHFFFAOYSA-N 547.236 5.510 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O 1772755052 JMLFDPSZKXYKQC-UHFFFAOYSA-N 526.865 5.573 50 10 KKGE CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 1848434245 ISXKXFGJQNACAU-FRYHGYJKSA-N 574.988 9.282 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683467 FECWYXODZUJLJR-HXUWFJFHSA-N 501.787 5.657 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688746 ZSSQCONMQMTMDA-GDLZYMKVSA-N 536.632 5.682 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690075 IEEQUKJXAMWLDB-QHCPKHFHSA-N 520.486 5.886 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc(Br)c1OC(C)C 1865697313 PZYGYHQUZBUKPQ-JOCHJYFZSA-N 543.849 5.670 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Br)c1OC(C)C 1865698450 UHJFRXKHIWCAKD-JOCHJYFZSA-N 537.458 5.983 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865703611 CMRKITAZMCQPKB-SSEXGKCCSA-N 542.639 6.919 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866654764 JVKWVEMWJCTQPQ-RUZDIDTESA-N 514.582 5.271 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872791603 NGUQKCHXCVHYBP-VXLYETTFSA-N 511.405 7.908 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 1873499236 LBFZZDRODOOCJW-WSKALFDJSA-N 516.038 5.415 50 10 KKGE O=C(c1cccc(F)c1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915272175 MHZAYIRFJMKHHD-QGZVFWFLSA-N 502.165 5.246 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924571583 SDVNDOYLIBQSSD-SSDOTTSWSA-N 588.804 7.652 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924594228 LVKAHQPKUFMSTD-SECBINFHSA-N 582.775 7.591 50 10 KKGE FC(F)(F)c1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924600450 DPGJRZOQKRIWGP-QMMMGPOBSA-N 557.849 7.539 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924613435 RQEHWXLOINPPNN-IMJSIDKUSA-N 523.832 7.060 50 10 KKGE Brc1cc([C@H](Br)c2cscc2OCc2ccccc2)c(Br)s1 1934838659 JSHKQSFGTPRQMT-HNNXBMFYSA-N 523.109 7.398 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2004903569 ZJLHEZMPBMWSIK-ZETCQYMHSA-N 544.353 7.543 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CCC23CCC3)c1Br 2047940233 TXTAXNZVVJVJPA-YUMQZZPRSA-N 521.938 7.442 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(I)ccc2F)c1Br 2050467668 ODYWMKSMJUWNPR-JTQLQIEISA-N 568.869 6.810 50 10 KKGE CCCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495002 OSHFZRBFTOEYOI-GFCCVEGCSA-N 568.767 7.753 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Cl 2154125239 VRINRNKQQLBUBB-CQSZACIVSA-N 505.834 7.450 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(CCBr)Cc1ccsc1 2171092439 NEUZSLMOXKEQGH-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)CC2 2206394708 IUXDPSNMWFQNMN-MLRNSFOPSA-N 550.354 7.987 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC3CCC2CC3)c1Br 2206396759 ARMQDULUKHWOQG-UATKWWGBSA-N 594.805 7.999 50 10 KKGE CCOC1CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396801 BCSAFVXUSMPLKE-HACHORDNSA-N 598.793 7.378 50 10 KKGE Cc1c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)nn1C 2206401830 ZUFRJZCLPNVGIQ-NSHDSACASA-N 659.634 7.025 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 2214321522 AITRVSMUAAUDPZ-ATRFCDNQSA-N 511.899 6.429 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(I)sn2)c(Cl)c1Cl 2217607759 GWYSMODWNXKSBN-QMMMGPOBSA-N 562.279 6.955 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2I)c(F)c1F 2225931293 OBFFRUXXYBEDFN-LLVKDONJSA-N 505.897 5.955 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2232529298 LKUCPFMZKUPLHT-LURJTMIESA-N 502.248 6.934 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Cl 2283569312 YILOAMPYJAQGRX-LLVKDONJSA-N 556.797 7.123 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)c(F)cc2Cl)c1Br 2285949599 UMWKDLVLZKMSHJ-CQSZACIVSA-N 550.285 7.559 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 2297710083 MPUTUVPZRUTPKH-MHZLTWQESA-N 505.530 5.270 50 10 KKGE Cc1c(Br)c(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Br)cc1 2313556784 KTZKXVXFCXCIIQ-UHFFFAOYSA-N 566.297 6.366 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 2313567882 OSDHUENJSOTZFD-UHFFFAOYSA-N 576.524 6.955 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1 2313568468 SXXHVXPBOWKKEO-UHFFFAOYSA-N 603.254 6.495 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(C)c1 2313568688 WARPWGBKMFYGMS-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314616837 KVCWZRFNQCREJJ-UHFFFAOYSA-N 536.701 6.966 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617382 XFODTAORSPXAAA-UHFFFAOYSA-N 551.603 5.771 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 2314619521 AARRUQHVKFMVIM-UHFFFAOYSA-N 530.665 6.278 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314620209 MPFQQMLQOYJKMW-UHFFFAOYSA-N 600.647 5.029 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314634835 RYGSZAQKOVOCBH-HKBQPEDESA-N 522.645 7.000 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643126 DBLPZEJMTAQSCG-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE COCc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2315089302 ZUSZOYMCDCXJSI-CYBMUJFWSA-N 502.009 5.746 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2315579781 NBPCMKFRCLCVHG-SNVBAGLBSA-N 501.842 5.386 50 10 KKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319796376 ARFDNUYRIBPYSA-XGSYFURPSA-N 523.910 6.429 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)CC1=O 2331239829 GBIMUIHJNJOJDD-IBGZPJMESA-N 506.027 6.197 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331293096 QGSQXXBDSXUTLH-DEOSSOPVSA-N 513.525 5.788 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 2331305523 NYPNTXACMALLAL-LJQANCHMSA-N 503.580 5.231 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccccc3Cl)n2)cc1 2331345710 SXBZLRSASQNRMG-UHFFFAOYSA-N 511.087 8.465 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336073112 SDKNRDULVDOAFX-HXUWFJFHSA-N 603.974 8.232 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337083499 ACUFBAKVSHRPIE-VIFPVBQESA-N 556.314 7.621 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 2337091317 ZBJYHMOONNFVRG-VIFPVBQESA-N 576.732 7.919 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2338027533 WTYINTBHYVWFBW-CQSZACIVSA-N 531.933 7.472 50 10 KKGE C[C@@](CI)(OCc1cc(Br)cc(Br)c1)c1ccccc1 2362248151 PUWDIIHRDDUCHI-INIZCTEOSA-N 510.007 6.079 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2364234647 KWDOWZGMEKSQDM-SECBINFHSA-N 680.052 7.323 50 10 KKGE Clc1ccc(CO[C@H](CBr)c2ccccc2Br)c(I)c1 2365636035 NLRGYHXKJJEMOM-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 10509306 GOOMXDXWKNFYJY-UHFFFAOYSA-N 525.443 5.208 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 38686842 GFJIMQYCZCEQDE-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)cc1OC 40927109 YZCQTDLAACTWHQ-DFEHQXHXSA-N 502.567 5.637 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 58894900 FRCJZXYSZOXWHP-KJTWNORHSA-N 525.045 5.989 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 97914959 OXSQWUBBXPEEIC-HHHXNRCGSA-N 535.512 5.938 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12 100056336 JZYUHJIDGUUHPY-BIZUNTBRSA-N 536.429 7.007 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101307284 KYVVJQHSKBRMQI-AREMUKBSSA-N 567.425 6.403 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101375059 YVYUYBVFSLIPNW-WENCNXQZSA-N 560.622 6.240 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(C)cccc5C)ccc43)cc2)cc1 101378665 LZJPHBCKWJOQON-YTTGMZPUSA-N 546.623 6.393 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381156 WAKNJCMSDXTMDC-QXDKDLNASA-N 583.471 7.718 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382655 MUFKTNGBZLRDQS-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1C 101383385 SILVSXFDZMOSMU-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387320 ROHZJLPDJCMTGL-UUWRZZSWSA-N 594.639 6.739 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389547 YTIHCHYVNSEIFN-UUWRZZSWSA-N 608.666 7.276 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCC(C)C 101395520 OJBGXMJBEBUMBV-LJAQVGFWSA-N 538.600 6.530 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399953 POUZCGCAXURSTN-UMSFTDKQSA-N 618.661 7.912 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1F 101727412 HZXIQDBERHOFCD-VFLNYLIXSA-N 542.057 6.433 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 102664764 RJFFRESHVOQCJE-UVTDQMKNSA-N 511.943 5.781 50 10 KKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1OC 102935613 ZWEKXPGXZZXLCN-JWGURIENSA-N 548.661 6.724 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(C3CCCCC3)cc2)cc1I 103723932 HNDXBECDPJLNTO-KCSSXMTESA-N 593.465 6.319 50 10 KKGE N#CC1=C(N2C(=O)c3cccc4cccc(c34)C2=O)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccsc1 109750964 GBBABPZQPDCQAO-HSZRJFAPSA-N 502.507 5.563 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150427159 HVHALJCVHBHCHL-UHFFFAOYSA-N 618.109 5.617 50 10 KKGE CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(c3ccccc3OC(F)(F)[C@H](F)Cl)C(=O)[C@H]2/N=N/c2ccc(OCCOc3ccccc3)cc2)cc1 161135277 QCTQTJNTOCQOJL-SGNBYNLNSA-N 912.516 12.830 50 10 KKGE O=C1C=C/C(=C\NNC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)C=C1Br 161192436 XZUIFBXONCXABN-SGWCAAJKSA-N 637.530 6.960 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 214349027 GKYSCXQDGDKDNN-OFWBYEQRSA-N 542.639 6.163 50 10 KKGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c1C#N 254836299 WRINZOARKZYLTP-UHFFFAOYSA-N 585.733 7.084 50 10 KKGE C[C@@H]1[C@H](O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504214945 DFPBBOCDGYBNBR-XJIXWTTFSA-N 550.689 5.419 50 10 KKGE CC[C@@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 575229557 YZUJIMXHROAZNZ-MSNITGCISA-N 518.811 7.225 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(C)cc1 1083891121 BIXXPOZSJSMQBM-UHFFFAOYSA-N 569.705 7.841 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 1083923281 VYMYYPOPDZXOMY-UHFFFAOYSA-N 554.477 8.102 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)cc1 1083949120 XZEBUSHPYWRJHJ-UHFFFAOYSA-N 623.573 5.597 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 1084001842 DMSWMNRIPTYUPQ-UHFFFAOYSA-N 507.656 5.335 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C 1084109943 WXUFBNLRQXTONX-UHFFFAOYSA-N 516.189 5.462 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2ccccc2o1 1084115635 ZGODXDGSWUGDSZ-UHFFFAOYSA-N 528.746 6.100 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1Cl 1084117451 HSYGVCJLJHGTGT-JJFYIABZSA-N 542.035 7.830 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084118411 XWIYVDAHYYJQRB-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1 1084411495 JNGWLYYVSAEZFA-YDZHTSKRSA-N 635.458 5.714 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc(Cl)c1 1084494774 MGDFKIXJSFTRSL-UHFFFAOYSA-N 564.070 7.173 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(Br)cc1)c1cccc(Br)c1 1084566648 XBRRXESRQWBVQW-UHFFFAOYSA-N 501.178 5.228 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084633968 DDAKZVOUEYVADI-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE N#CC1=NN(c2ccc(Cl)cc2)[C@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 1088661281 OHMMJBDIFSSDMG-ILBGXUMGSA-N 508.925 5.451 50 10 KKGE CSc1ccc(NC(=O)NN=C2c3ccc(Cl)cc3C[C@@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1088722983 RHTOCKGSFYXATH-NRFANRHFSA-N 517.413 5.735 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653251 XLFGTVSIYAAAJE-VOCSEPHXSA-N 564.538 7.420 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773619 JYUVYDXFZCBMDX-VXSVUSAASA-N 661.129 10.545 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772753949 JDMHDBJWIZLCNP-UHFFFAOYSA-N 518.455 6.279 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)N=[N+]=[N-] 1776009977 KQJXHZRKNUECLZ-IPWPOFCBSA-N 601.902 6.130 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682602 SHHYPKOLNWCOAG-AREMUKBSSA-N 525.052 6.776 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688439 RYSVMZIXOFHEFR-HXUWFJFHSA-N 574.273 5.672 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1 1865689872 FKVUUAQUOCPHKS-DEOSSOPVSA-N 521.459 6.374 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865690130 JJQQRNTWLDNRDN-NRFANRHFSA-N 516.951 6.391 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865695910 VMWCMGVQVQUBPB-NDEPHWFRSA-N 510.569 5.493 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Br)c1OC(C)C 1865697724 AFCACPLOYPUFBM-IBGZPJMESA-N 563.374 5.727 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)c(OC(C)C)c(OC)c2)cc1 1865698461 UOVUKAVIAKXUPQ-LJQANCHMSA-N 579.373 5.676 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701525 XLOMBUWJPXYPAD-SANMLTNESA-N 565.888 7.582 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1F 1865702290 RSYHFWXUPOWEEO-HNNXBMFYSA-N 513.676 5.664 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1C 1865702972 JVMSSFXCHAJFRJ-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707997 LMKIUKCXJSMQGW-VWLOTQADSA-N 528.996 5.496 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866758692 YNBUKQMWDYFINR-SXOMAYOGSA-N 552.165 7.100 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975933 VQPFOAHBZKERRA-DQEYMECFSA-N 552.494 5.834 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455737 AUZWZCORVFXZRN-VWLOTQADSA-N 514.561 5.416 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872746875 CXGFBEJGJCYZNT-GYHWCHFESA-N 508.515 5.464 50 10 KKGE C[C@H](/C(O)=C(\C#N)c1nc(C(C)(C)C)cs1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1872747423 BYNOEVOYNZVEBQ-ZAIJZUKXSA-N 519.237 6.532 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)\c2ccccc2)cc1 1872754243 JRWHJXSYIIIJLO-SHAAYRAFSA-N 506.671 8.476 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 1872758849 SZPABWPXCRRDFW-FLFQWRMESA-N 520.010 6.351 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCc1ccccc1C 1872793809 UNIWSKTXJUPZKY-OEAKJJBVSA-N 512.631 7.178 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1C 1872794692 QHISIFORTDNGBU-PXLXIMEGSA-N 505.640 5.219 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2c(Br)cccc2Br)C1 1901795910 VYHVYCHPHKACQX-KBPBESRZSA-N 514.052 5.111 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065756 HEGMHZPRMLWJFL-SECBINFHSA-N 538.324 7.482 50 10 KKGE CC(C)c1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924612930 FHBLNOBSIBFWOP-LLVKDONJSA-N 531.933 7.643 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2sc(Br)cc2Br)c1C 1951017731 CIESXEUCENLPBB-SECBINFHSA-N 523.935 7.198 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCOC1 2015965097 QUKDQZZCUTUBIJ-KCJUWKMLSA-N 511.899 6.288 50 10 KKGE C[C@H](C1CC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781214 DSKHQROGQFAWRS-KQDJYFMNSA-N 510.289 7.063 50 10 KKGE CCCc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 2027130903 JEEPNOWZTIMFGK-CQSZACIVSA-N 500.037 6.552 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1Cl 2048152688 XYYOZVMBFVALPV-QMMMGPOBSA-N 522.260 5.845 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 2048504001 RHEMKRIKGVNQSV-NSHDSACASA-N 538.324 7.482 50 10 KKGE COc1ccccc1NC(SCC(=O)NC1CCCCCCC1)=C(C#N)C(=O)NCc1ccccc1 2053621500 KFYALJPHTOYCDX-UHFFFAOYSA-N 506.672 5.121 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2111085905 BVBFJAPCNIEFRV-SECBINFHSA-N 528.318 8.026 50 10 KKGE C[C@H](Br)C[C@H]1CCCCCN1c1ncc(I)cc1Br 2133373437 RNIZLSGQTZKALK-CMPLNLGQSA-N 502.032 5.371 50 10 KKGE CC1(C)C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468032 FZAVWTONMMMEEV-QUBYGPBYSA-N 584.766 6.988 50 10 KKGE Cn1ncc(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468050 GDAHZUIXJTWYBV-SNVBAGLBSA-N 601.156 6.561 50 10 KKGE C[C@@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141478642 YOWYQXNRBBSCCJ-XVKPBYJWSA-N 540.359 8.089 50 10 KKGE CCCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 2175003477 CPZSUHFPZOTFNQ-OASPWFOLSA-N 632.445 5.444 50 10 KKGE CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/NC(=O)COc1ccc(Cl)cc1 2185889462 TZSZJXDFKNYANL-BQUQIILOSA-N 522.432 5.728 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206398110 QWBPQRGGLBKSQH-JTQLQIEISA-N 608.710 7.905 50 10 KKGE Cc1cc([C@H](Br)c2c(C)cc(C)c(Br)c2C)ccc1I 2207106582 XVLGZLQZTCIIQV-KRWDZBQOSA-N 508.035 6.772 50 10 KKGE CC(C)(C)C[C@H](CBr)CNC(=O)c1ccc(Br)cc1I 2207267479 MGVQYAADUGENRH-SNVBAGLBSA-N 517.043 5.231 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)Cc2ccc(Br)cc2Cl)c1Br 2229148052 QHSUYOLOMGIIQJ-JTQLQIEISA-N 507.900 7.520 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2240998494 ZSBXWRLQJOSSKR-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)c(Cl)c1Cl 2283192422 XFXYGWSXNNZLTM-LLVKDONJSA-N 542.707 8.310 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 2294146934 FKHOBCJUXKVLRR-UHFFFAOYSA-N 637.301 7.520 50 10 KKGE COCO[C@@H]1C[C@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H]([C@H](C)CC[C@@H](OC(=O)[C@](OC)(c4ccccc4)C(F)(F)F)C(C)C)CC[C@H]3[C@@H]21 2294819029 WKBJJVNVHWVMMW-JHZASPAOSA-N 919.295 12.278 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2300272801 YVKKENLBKGHXMP-MRXNPFEDSA-N 515.043 6.008 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(I)c1 2301798382 JCHCCSPMBNFFLC-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 2313521407 LQZLRZPFNXIDCP-UHFFFAOYSA-N 572.830 6.146 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl 2313521410 MBPXPJPGIMOXFX-UHFFFAOYSA-N 586.857 7.085 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313567246 FFPDETRJEBXGJO-UHFFFAOYSA-N 536.382 6.189 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571325 SKXKAYVSMXSIBO-UHFFFAOYSA-N 605.530 8.841 50 10 KKGE CC(=O)Nc1sc(C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1ccc(C)cc1 2314433406 MXVKHYULLBZKTQ-UHFFFAOYSA-N 504.593 5.049 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314618786 UHXXMBXKOFAFSJ-DEOSSOPVSA-N 632.746 5.147 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C(C)=C(C#N)C2=O)cc1 2314619736 DLZULTNNWOSPPM-UHFFFAOYSA-N 559.582 5.291 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620959 XFPIDZVSPQHHTG-UHFFFAOYSA-N 526.564 5.257 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634663 VQZZOAURJMHWSJ-MGBGTMOVSA-N 566.698 7.399 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646977 XIDNJIDPXKONPS-WJOKGBTCSA-N 690.822 6.424 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OC(C)=O 2331350676 LGISEDYUJVXKDN-UHFFFAOYSA-N 504.608 6.556 50 10 KKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)n2)c1 2331418462 SCLZYVZSCJMXJF-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331436461 ZSXJTVYTQAYDMQ-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 2331464613 XUNKIYWLORAZFH-UHFFFAOYSA-N 510.659 8.634 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc(Br)c1O 2331474119 GOSSBZMSQYWCSH-UHFFFAOYSA-N 505.821 6.712 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336079554 UXMOJRCOWJQVRZ-HXUWFJFHSA-N 502.580 7.444 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1I 2365184564 FFYWHXRIFKDIGX-LBPRGKRZSA-N 597.285 7.401 50 10 KKGE BrC[C@@H](OCc1ccc(I)c(Br)c1)c1cccc(Br)c1 2377594725 LDNQBMXXEFBSLM-OAHLLOKOSA-N 574.876 6.469 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 1767489 LBHLAVZFBKAOAM-SXGWCWSVSA-N 525.373 6.755 50 10 KKGE O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc(NC(=O)c2ccccc2Br)cc1 3658867 FWUZSQSGPUDXIW-OPEKNORGSA-N 596.073 5.696 50 10 KKGE CCN(CC)c1ccc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(OC(=O)Nc5ccccc5)c5[nH]cc(C)c65)cc4c3)oc2c1 11616976 BBZDXMBRAFTCAA-SANMLTNESA-N 729.237 9.396 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1sc2ccccc2c1Cl 14642160 UVZQWFKWADJXSX-UHFFFAOYSA-N 515.816 5.824 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14648345 QHGJRSBVLQHURM-UHFFFAOYSA-N 525.443 5.915 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)CC1 29491668 FEJUKJQUYSDHIE-BRPDVVIDSA-N 572.712 5.298 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 33491241 NXJQCOAJUMCBSC-PGMHBOJBSA-N 504.608 6.243 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(=O)c1cccc2ccccc12 35190964 SDNUFXLYYIXPTD-ODLFYWEKSA-N 517.368 6.920 50 10 KKGE COc1cccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2ccc(C)cc2)c1 37441799 LFEGEOXDHKJIEY-XLVZBRSZSA-N 530.694 5.398 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCC(C)C 38684224 ZTWYIIIAXLRVLG-SSEXGKCCSA-N 528.605 5.549 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38685018 YRRWJZRCNVUACF-PMERELPUSA-N 502.570 6.041 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)c(C)c2c1 38688308 WBSLUKHKOAPBFN-DEOSSOPVSA-N 505.357 6.794 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc1Cl 40811768 VZWDOICLYYRZCT-TURZUDJPSA-N 514.807 6.035 50 10 KKGE c1ccc([PH](C[PH](c2ccccc2)(c2ccccc2)C2CCCC2)(c2ccccc2)C2CCCC2)cc1 100425424 SCFKQFCHZDCDDN-UHFFFAOYSA-N 524.669 7.631 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)n3)CC[C@@]1(C)[C@@H]2Br 100935730 QSRXNUIGTORKSI-IOPFRZMMSA-N 567.366 6.138 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101036754 MENPOCVMQKOAQT-RUZDIDTESA-N 547.621 7.237 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 101246572 SMPXZNDYBWMOPB-LVVXZCGBSA-N 565.617 6.902 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101335968 IDJZCGOXTWGJBB-ZTKZIYFRSA-N 566.702 6.292 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101339010 QYUGSRWFCRPMBW-YLNVQIAQSA-N 532.644 6.096 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340808 TTZNCFOVWMQLLO-MTDXEUNCSA-N 579.125 7.487 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101341387 QVGWPJDZRSLFIW-OGLMXYFKSA-N 552.631 5.180 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101375388 HFYOANLBDOPNBZ-WJOKGBTCSA-N 602.684 6.508 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386537 IWMCCCIRPICPDY-SSEXGKCCSA-N 552.558 5.859 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1F 101386860 GXWFSPGWQAZKPG-GDLZYMKVSA-N 540.522 5.990 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387198 DZMSFWKOMHTSDO-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101393294 FBALHPZUHUBYDM-MHZLTWQESA-N 609.531 8.079 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc(OC)c1OC 101393452 DSMAXRRSRMQWFN-QFIPXVFZSA-N 617.894 7.325 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCC(C)C 101395472 VRJFRDNBRRZLKX-SANMLTNESA-N 595.504 7.689 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601926 LMXGVNNVSYBIIA-OGLMXYFKSA-N 535.771 6.179 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Br)c1 101727587 DESLGXXPMHHUHV-AMVVHIIESA-N 616.990 7.446 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OCC)c1 101761041 LBMUKZXUBGKCNN-YBFXNURJSA-N 530.415 5.734 50 10 KKGE Cc1cccc(C(=O)[C@@H](Br)[C@H](c2ccccc2)C2(Br)C(=O)c3ccccc3C2=O)c1 105419014 QEXUXKWTVFNMTJ-SFTDATJTSA-N 526.224 5.938 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 150430070 ZBMJKCZKEDPGLE-SQEMJAKJSA-N 664.409 5.271 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 150441695 XEYAPNLNQIAYGL-NMRUTFGKSA-N 639.148 8.032 50 10 KKGE C=CCOc1c(I)cc(I)cc1/C=N/NC(=O)N/N=C/c1cc(I)cc(I)c1OCC=C 150547105 OYQRCPIMTWHTNO-LYXAAFRTSA-N 882.016 5.902 50 10 KKGE COc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccc(N/C=C4\C(=O)N(c5ccc(OC)c(OC)c5)C(=O)c5ccccc54)cc3)c3ccccc3C2=O)cc1OC 150622220 CIXAYWXELMWFLY-DQWRGTGXSA-N 765.779 5.824 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214406074 UDRKSVQAFNNNAM-DXJNIWACSA-N 574.656 6.896 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 234841939 DERAIVZEQXPUFQ-LLVKDONJSA-N 519.878 6.529 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCc1c(C)c(C)c(Br)c(C)c1C 252592777 BHCOTSLZUQHDHG-UHFFFAOYSA-N 511.416 5.740 50 10 KKGE CC[C@@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253530193 MYLPOKATQGVMSF-JVRYATNGSA-N 644.617 10.347 50 10 KKGE biogenic CCOc1cc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc(Br)c1OCC(N)=O 254345086 HDVJMZFZIXGRDB-UHFFFAOYSA-N 581.854 5.344 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cc3ccccc3cc2O)cc1 254383191 CKAVFALPIHQBNZ-UHFFFAOYSA-N 510.571 5.539 50 10 KKGE CC(=NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(OC(F)F)cc1OC(F)F 254568054 WDJUYLGRGALPRW-UHFFFAOYSA-N 527.474 6.171 50 10 KKGE COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(C=NNC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 254630910 MUXRLORFYPUYSK-LJAQVGFWSA-N 519.561 5.723 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1cc(C)c(C)cc1C 256028550 UJLWAGKQUASKHF-UHFFFAOYSA-N 564.531 5.028 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c1 310152522 NJEAXVGDENMBKX-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE Cl[C@H](Cc1ccc(Br)cc1)c1ccc(I)c(Br)c1 721571679 HLHBJLJZEGREHZ-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE C[C@H](Br)c1ccccc1NC(=O)c1ccc(I)c(Br)c1 721572671 MPNUNDJUPYKKPJ-VIFPVBQESA-N 508.979 5.762 50 10 KKGE Brc1cc([C@H](Br)c2cccc3ccccc23)ccc1I 721573288 QTUKNMVHHSBVLM-KRWDZBQOSA-N 501.987 6.691 50 10 KKGE O=C(NCc1ccccc1Cl)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238328 RUSFNRXBSUKONP-FQEVSTJZSA-N 501.357 6.050 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 1083955257 BUAHMFAYCJPUJH-VWLOTQADSA-N 624.359 7.096 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)Cc2ccc(Cl)cc2Cl)cc1 1083976533 DMDXXJPCWBIXCJ-UHFFFAOYSA-N 627.550 5.992 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084035655 LAPWCJHLOGKJQI-VIZOYTHASA-N 601.111 8.196 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 1084044286 YTXVXJYURAODDS-HSZRJFAPSA-N 545.861 6.044 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1 1084093573 NTLQGHLBMPKQQC-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NN=Cc1ccc(C=NNC(=O)COc2ccc(Br)cc2Cl)cc1 1084159224 DPWLTURXXVLPRP-UHFFFAOYSA-N 657.146 5.577 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C 1084459938 LNMOMMIWASAOQR-UHFFFAOYSA-N 502.083 7.421 50 10 KKGE COc1cc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084523876 ZKYPFJIRWWDAKQ-UHFFFAOYSA-N 602.765 7.380 50 10 KKGE CC(=NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084581071 SSLYKRMKDCNOID-TWTJARBPSA-N 536.528 7.841 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc6c(c5)OCCO6)c(C)c43)coc2c1C 1772752010 REYGRCXJJBFXFY-UHFFFAOYSA-N 527.577 5.374 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772753165 TXMQVVTYJBFLDL-UHFFFAOYSA-N 538.445 6.648 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688665 YBZGQCWXPHZTQR-LJAQVGFWSA-N 555.078 6.983 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)c1 1865692447 BMOQLAUKUIVOQB-RUZDIDTESA-N 512.997 6.208 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696459 NJCBBEKCFYGEKT-NDEPHWFRSA-N 555.078 7.379 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1 1865701021 JWXIWLPAALJSEW-NDEPHWFRSA-N 562.029 6.393 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701592 YYHMRFRJGPXHHF-AREMUKBSSA-N 551.861 6.997 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865701934 ISIYJXWCOFIUKN-FQEVSTJZSA-N 501.940 5.668 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865702297 RYRQBUNZTYCRHH-OAHLLOKOSA-N 513.676 5.664 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865703109 NARFXLQLZKZAHX-QHCPKHFHSA-N 502.496 5.997 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703111 NBKFBQAJSLJOQK-NDEPHWFRSA-N 508.597 6.129 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865714023 BAYXQLCGFKDSRI-MRXNPFEDSA-N 544.158 6.238 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714733 OOJPFTUDTRQVPI-XMMPIXPASA-N 579.440 5.855 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)nc(Cc3ccccc3)n2)cc1 1868207123 GWUDJMGBFXCBIV-MHZLTWQESA-N 525.681 7.862 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4[nH]c5c(OC)cccc5c4C3)n2)c1 1868506400 XARPRVMCUPWUFD-UHFFFAOYSA-N 534.645 6.522 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(Cl)s5)cs4)cc3C2=O)c1 1872757950 DOXSBDBZZWQGAZ-NKFKGCMQSA-N 518.019 6.892 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872792149 HIDCITHMLARIKJ-XDHOZWIPSA-N 505.437 7.587 50 10 KKGE F[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898078452 NXGFXZWZKOBCRT-STMJTCIHSA-N 544.676 6.531 50 10 KKGE O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@@H](CCl)C1CC1 1915142581 FAAKPJKFUWPEGA-KRWDZBQOSA-N 507.675 5.420 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccccc1OCc1ccccc1 1923074726 QUINWGRIFVJTON-HNNXBMFYSA-N 551.525 7.990 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2csc(I)c2)c1Br 1924580407 ROIGQJKHZVNIJH-ZCFIWIBFSA-N 621.777 7.186 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@H]2CCC3)c1Br 1924616446 OSYHAJJGEGBTJX-PSEJXSGSSA-N 535.965 7.832 50 10 KKGE CC1(C)CO[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2001537970 ZGCGLVBFMGNKBR-CAHLUQPWSA-N 511.899 6.287 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1cc(Br)ccc1Br 2027335968 MBXGMRUEEQOMDM-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)cc(Br)c1OCc1ccc(Br)cc1 2041765229 JFZPZTZKFZAPEB-UHFFFAOYSA-N 556.279 7.473 50 10 KKGE N#CC(C(=O)COC(=O)C=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)=C1Nc2ccccc2N1 2042439909 KWVFIVZTUZKZRM-UHFFFAOYSA-N 555.550 5.044 50 10 KKGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CCC2 2042440553 IYDHHXGLIHFATH-UHFFFAOYSA-N 562.047 5.453 50 10 KKGE Cn1c(Nc2nc3c(OCc4ccccc4)nc(=N)[nH]c3n2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)nc2ncc(-c3ccccc3)cc21 2080522747 JQXQDTVFNDUADD-XFCANUNOSA-N 808.149 9.210 50 10 KKGE COCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085496624 XGKGOEZGGATNNR-LLVKDONJSA-N 526.288 6.443 50 10 KKGE C[C@@H]1C[C@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469672 WIBKCFSUEKEDQR-PRJMDXOYSA-N 584.766 6.988 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2142279501 RASHZCXJEVXJQN-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE Cc1ccc(Cl)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206396443 WUQKCRJNRQBLTB-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@@H]23)c1Br 2206397743 MHTILAHWXYDWCL-SIFFTZHVSA-N 594.761 6.596 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1I 2217861561 UEXNSWWAIDLQOC-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Cc1cc(C)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2225931852 OKOVZIBKFBYOPR-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1I 2256338875 ZSEVHOKDQOPXCA-SECBINFHSA-N 605.742 7.622 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2272736286 XXULOEIFRUYMQN-JTQLQIEISA-N 523.791 6.638 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 2279143650 FSKFBASMVLLZFW-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 2294146915 BRHFQIGWDLGOJO-UHFFFAOYSA-N 679.252 6.491 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294171986 PZPJREPSSUYHPW-UHFFFAOYSA-N 544.007 5.763 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2294578382 OOFJPYMKYKSVIM-UHFFFAOYSA-N 589.446 6.082 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 2295265022 MGECWZJQWCASKJ-NRFANRHFSA-N 510.653 7.483 50 10 KKGE COC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295945834 CWCBLZNODRJOMZ-UHFFFAOYSA-N 508.353 5.442 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296001934 FDZIQSNIVORCHG-SANMLTNESA-N 510.018 6.558 50 10 KKGE Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C=C(C#N)C(=O)Nc1ccccc1Cl 2297488378 WBNXDZRBOVPWSO-UHFFFAOYSA-N 533.813 6.935 50 10 KKGE N#CC(=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2297534073 REJPBAPOKBVCRE-UHFFFAOYSA-N 551.362 7.746 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642644 ZIOPTNAQQBNLAA-MEGGBBNESA-N 649.788 5.330 50 10 KKGE Clc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2299507834 HEJLYCIIRCSJIB-QGZVFWFLSA-N 507.074 7.881 50 10 KKGE Cc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 2313549503 XVVDUQKZWDGVSV-UHFFFAOYSA-N 514.217 6.943 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568489 WDYDWYBPACYEOY-UHFFFAOYSA-N 594.409 5.034 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1 2313568918 YYGSXRNGDLECGQ-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314486821 FFMLFBHRVCRMLW-UHFFFAOYSA-N 523.573 7.942 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501605 ZMVMTAYGSJTIJQ-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592422 SYJRRQOLQMNCNE-SANMLTNESA-N 550.511 7.490 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 2314616649 GJESDNCZWADABD-UHFFFAOYSA-N 546.602 6.178 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1OC 2314634566 IYGBDQWKGGCGNO-NDEPHWFRSA-N 510.590 5.838 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Br)c1 2316597808 WNXANYDFQKXCTI-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331341594 IVVNPULJEMOJJL-AWEZNQCLSA-N 503.849 7.610 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331351162 WOMIUHLWHPAZCA-UHFFFAOYSA-N 504.612 6.574 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 2331378596 FVLIQXFOEPFBMQ-WBVHZDCISA-N 510.015 5.883 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCOc2cc(C)c(Cl)c(C)c2)n1 2331392321 QELHOLHXZBEBNX-UHFFFAOYSA-N 503.451 7.703 50 10 KKGE CC1(C)COC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2336201712 WLRDSUTWMCBPNQ-WKEGUHRASA-N 584.766 6.845 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362230570 REGLVPOFEJJZRZ-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)cc1 38659575 RVZVMGSRMUCAIH-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC)c(OC)c1 38659666 XLKQBHKVBVARIG-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cc1COc1cccc2cccnc12 58978598 ALUJSKIPWUJHRR-LFVJCYFKSA-N 523.589 5.105 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OCC 59304437 COCLXOAYWHSRNR-QNKGDIEWSA-N 521.617 5.887 50 10 KKGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Br 97729859 GLGVTTXCCUDEIT-LGJNPRDNSA-N 516.779 5.136 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 100055063 NLEZOSRHNZLCPP-UVHMKAGCSA-N 526.228 6.356 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100209198 XUVQJUJDZXAHLZ-UHFFFAOYSA-N 609.340 5.114 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1 100325770 CNEUBAYJWXTAKZ-JBCPZZPVSA-N 574.497 6.416 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 100883600 YNZATBMDGQKXPQ-DXJNIWACSA-N 566.082 7.419 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2ccccc2)cc1 100919897 IOGBJUMKQBWGPC-HAVVHWLPSA-N 566.664 6.342 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(Cl)c2)C1=O 101333327 DQCWNHYJHDYTCD-NLRVBDNBSA-N 557.094 7.154 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101338078 GBCZMRFSGBNGEY-AJBULDERSA-N 570.693 6.718 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367359 DZTZMEWXRVMJPK-HKBQPEDESA-N 548.595 6.110 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101368325 SNYNIRFNJCGUCX-GDLZYMKVSA-N 559.575 5.231 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101368456 CBHHUYFRPZHFMI-GHRAFVERSA-N 570.686 6.835 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369303 ABCSUTLRPKWKDB-GYVBZPSFSA-N 542.635 7.613 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381384 CCTIVEDUTSCQJR-SSEXGKCCSA-N 557.433 6.939 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5)ccc43)c2)cc1 101382019 XRYGJHGQFWVZJR-PTRALIJHSA-N 549.026 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383352 HHKHCIXRVCHXQE-UMSFTDKQSA-N 573.048 7.438 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385451 KJBNBKKHYJYMOE-PGUFJCEWSA-N 590.676 6.909 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101388017 PRGRMCJCHKWKIG-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1 101388415 NVLISMZAMRVUCC-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 101391197 HRNFRAUREXGBOR-NRFANRHFSA-N 527.816 7.299 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101392840 LSILGSPHLFUQTI-VWLOTQADSA-N 561.388 5.958 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101398774 YTQNDNKBJRAZSG-LOYHVIPDSA-N 550.542 5.368 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 102934324 XTRKNZZOGIPYDE-NVNXTCNLSA-N 572.184 5.457 50 10 KKGE O=C(Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 104087845 HAKABMAYJUEWTA-MIMCIKNBSA-N 618.325 6.887 50 10 KKGE CC(C)c1ccccc1-n1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nc2ccccc2c1=O 108256678 BDGDKOYFQINLGK-LHLOQNFPSA-N 510.644 6.123 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118920986 ZODHPXNJFNZLJV-XBHIEDHGSA-N 597.722 9.946 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)cc1 150410976 CXMPBBABWXNUIB-JTAYQGPGSA-N 710.812 6.352 50 10 KKGE COc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 150446343 AIAPVNKUHPFFBI-FOXLNIFNSA-N 688.870 5.951 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccc(Cl)cc1 150654216 PGVLYGRPDOFXMP-PNOYGBBQSA-N 645.975 7.237 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2Br)c(F)cc1Br 161104874 ARJVGWDOZPVITC-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 205667171 HCHYJRBQZTXVPY-BRNRZMGGSA-N 548.570 6.250 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2OC)cc1OC 207110579 PZHXFNGLLDLXOT-SMCUMUOOSA-N 534.653 6.105 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C2=O)cc1OC 214371820 VYVXOPROONQROL-NVMPUMLXSA-N 668.725 7.110 50 10 KKGE Clc1cc2c(c([C@H](Br)c3cc(Br)ccc3I)c1)OCC2 236084264 ZZVALNWYLRTPHS-CQSZACIVSA-N 528.409 6.126 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 252629346 UEEJNHZLXCFOSD-FUIBDDPVSA-N 557.994 5.495 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc(OC)c1OC 254294806 ORBOIVCIMFBKGV-UHFFFAOYSA-N 593.709 6.260 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)c2cc(C)ccc2C)cc1 254383209 DFPLCDFYPICCIX-UHFFFAOYSA-N 535.669 6.264 50 10 KKGE C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254645408 MZWRYKOARMPBGB-UHFFFAOYSA-N 631.350 5.669 50 10 KKGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)O/N=C2\C[C@H]4CC[C@@]2(C)[C@]4(C)CBr)CC[C@@]3(C)C1(C)C 256019964 OXOFNMIKPGLQKR-QWBWGZTOSA-N 538.530 6.696 50 10 KKGE CCCCOc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256022829 SILFXFYICLIULW-UIAACRFSSA-N 552.145 6.490 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024905 JNQCVHANFYXNMP-OCYZVYKISA-N 630.590 10.101 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025211 RPSDMMBNHUZTKP-WZMQZSGKSA-N 602.536 9.320 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1Br)[C@H]2Br 261366762 MDUTUZBCWBAWFD-UVBJJODRSA-N 603.931 5.982 50 10 KKGE C[C@@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504675973 LMDPTTKBLFEMRC-NYYHBLAPSA-N 840.427 14.620 50 10 KKGE in-vitro CNc1ccc(C(=O)N[C@H](CCSSCC[C@@H](NC(=O)c2ccc(NC)cc2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 725239880 IESYFPWLMGBRNB-CLJLJLNGSA-N 646.876 5.512 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 725435570 KNJLGIYUUDKCGK-UHFFFAOYSA-N 597.568 6.093 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 1083999893 YWXXZWHAQZCKHP-UHFFFAOYSA-N 523.464 6.301 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084170477 OFANRFYXJCBKLF-UHFFFAOYSA-N 631.120 7.037 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1F 1084175204 PAIRJBXRINKLGZ-LICLKQGHSA-N 611.238 7.260 50 10 KKGE COC(=O)COc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084593463 JIOQWGVMTWRCOC-UHFFFAOYSA-N 623.447 5.382 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1084607559 WAHIJKGSUVRMEV-UHFFFAOYSA-N 649.930 9.529 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c([N+](=O)[O-])c1 1565517509 HGEZLUOAUMLMCY-UHFFFAOYSA-N 540.664 6.841 50 10 KKGE O=CC[C@H](C[C@]1(F)C(Cl)=CC(c2ccccc2)=C[C@@H]1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 1772508763 YKZMRPKLINDMDF-NFEIJPORSA-N 516.396 5.707 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747473 OYNMNWMIHBECFG-UHFFFAOYSA-N 589.433 6.582 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Br)cc1 1772754891 HJNGLAOMGOCUBJ-UHFFFAOYSA-N 616.990 7.446 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687852 BWAMIPRWBJASDR-MUUNZHRXSA-N 541.051 5.995 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688170 LXGKIQXGADJSIR-MUUNZHRXSA-N 524.596 5.481 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700672 ATDKKJCDJJGJHM-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1865704110 NJXHJKJJIGFBPT-AREMUKBSSA-N 533.415 6.293 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704582 ZEQPHKXLMMTYTB-GDLZYMKVSA-N 519.004 6.785 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706671 CDDMLCUCAVLLGY-NDEPHWFRSA-N 505.622 5.688 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710949 MEUGJVXMPLJGKC-QHCPKHFHSA-N 536.941 6.497 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868301781 XXIBHLBZWJZQJZ-UHFFFAOYSA-N 555.151 7.177 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)c(C)c1 1872749030 YKEAVLFDQLORFL-QVTSOHHYSA-N 515.638 7.887 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914639615 UHAZVEMNSXYRHE-LBPRGKRZSA-N 526.088 5.186 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922934341 FRHDAVQYZZSGKK-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922943646 WATVMJFLWBQBCS-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1I 1924604576 DRQUGKDNOCKWLT-RXMQYKEDSA-N 619.740 5.858 50 10 KKGE C[C@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2017755366 NOGLOSGIZMPQTD-LISBXJGFSA-N 509.883 6.039 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2025780356 RPIAPUQGWIOESM-UHFFFAOYSA-N 510.245 5.937 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 2053614236 HYFBETRVJMYTBP-UHFFFAOYSA-N 720.088 7.235 50 10 KKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470566 IFPJGOOKPROMOT-HNMAKPFWSA-N 590.720 7.464 50 10 KKGE CC(C)([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141471858 XBDYUJSYLJSFAP-VIFPVBQESA-N 596.699 7.761 50 10 KKGE O=S1(=O)CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141478049 VWJWNORGZGZBQL-BLTYZCFWSA-N 560.327 5.451 50 10 KKGE Brc1cc2c(c([C@H](Br)Cc3ccccc3I)c1)OCC2 2143869331 XWOJZASGMLKLAC-CQSZACIVSA-N 507.991 5.667 50 10 KKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Br)(C1)C1(CCC1)O2 2157465798 OTYCQFFJQWCVET-UHEGKEBESA-N 549.948 6.963 50 10 KKGE COc1ccc([C@H](Cl)c2cc(I)ccc2Br)c(Cl)c1Cl 2203447973 OVGDRCMIUQRSJR-LBPRGKRZSA-N 506.392 6.697 50 10 KKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(I)ccc1Br 2204499955 RHJIQFZDKQHVOU-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397193 GLNMYOYXZHKGRR-UTACZLKKSA-N 564.259 7.605 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2sccc2I)c(C)c1Br 2220152616 HIKKMUAFXUTNPM-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(Br)c(Br)s1 2247562328 ZPHANUSRBBLTBT-SNVBAGLBSA-N 520.378 5.830 50 10 KKGE Brc1cc2sc([C@H](Br)c3c(Br)cccc3Br)cc2s1 2278029167 LZWXWJZPFZQXOW-ZDUSSCGKSA-N 545.941 7.735 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2279047156 KVSURGPNKQAADZ-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)c(Br)c1Cl 2283560295 CJGOUDQJLBMLGY-LBPRGKRZSA-N 595.294 6.963 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288355269 OUYYABPWKXZFDX-LBPRGKRZSA-N 540.342 6.562 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)cc1 2293367058 IGUBLRVMMRHXAP-UHFFFAOYSA-N 639.108 6.055 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(C(C)(C)C)ccc2O)cc1 2294956852 RBXXYFVVEHGXHL-UHFFFAOYSA-N 519.045 5.330 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296647277 CYBBSMXHSBAXRD-UHFFFAOYSA-N 653.352 6.414 50 10 KKGE C=CCOc1c(I)cc(I)cc1C=C(C#N)c1nc2ccccc2[nH]1 2297319688 INYNPTTYWKADNK-UHFFFAOYSA-N 553.141 5.401 50 10 KKGE C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=NNC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CCC2=NNC(=O)c1ccncc1 2297639535 ZYEHQFGKBKGWDM-AWIKLDQISA-N 524.669 5.311 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521401 LGVXTGOFEYRJOU-UHFFFAOYSA-N 583.382 5.950 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2 2313568138 RZRPKWAKSNCOMK-UHFFFAOYSA-N 590.474 5.411 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314616992 ONUGMHWAROFWLU-UHFFFAOYSA-N 620.665 6.639 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5)ccc43)c2)cc1 2314640652 IBJIAJZAEPUXNR-JGCGQSQUSA-N 514.581 6.411 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccsc2Br)c1Br 2315439271 CDEABXXOSCXFJT-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c2ccccc12 2331405150 WTFODESUPCPROV-UHFFFAOYSA-N 504.611 7.586 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 2331470994 CICZCERUVZAEFD-UHFFFAOYSA-N 513.059 7.513 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2335371997 RMPSZBOVSGJYKG-SFHVURJKSA-N 519.035 7.958 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2337090647 PXVFDLCHDNESND-VIFPVBQESA-N 511.863 7.512 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360491193 FQZOBZUMSBUQFK-GFCCVEGCSA-N 509.797 7.281 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccc(F)cc1 6600599 APUJWFGCJBGTOF-WQRHYEAKSA-N 540.345 6.020 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39992922 DBEFGRZLUYFTLT-XMHGGMMESA-N 518.495 5.922 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 40530040 VFBFHRKFAMYXLO-HMILPKGGSA-N 516.569 5.986 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815758 ZPWIJZJMOFLRKW-MUGXBBEHSA-N 505.618 5.830 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1OCC 54624636 VTPVCTSWSGOOMC-RJOMAKBYSA-N 506.599 5.325 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59153396 SYFKVUJDYSFBCW-UXHLAJHPSA-N 511.582 5.252 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O 59680156 CWDVNMMLKBRMLQ-UXHLAJHPSA-N 514.423 6.413 50 10 KKGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CCC(C)C 100870283 ZJIHQNXEFYOJCU-PJJLUWSFSA-N 571.475 6.200 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)C1=O 101333460 YPHRZPDPOPDTJQ-ZXVVBBHZSA-N 508.622 6.111 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101339906 TTZOINLGXLLGNE-ZCTHSVRISA-N 572.665 6.438 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OCC 101374606 DGVUZBFVAOBHRK-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1F 101386532 ILCUSPHMROWQNT-PMERELPUSA-N 552.558 5.859 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101398070 ODJUNVHDIKIKRH-SSEXGKCCSA-N 542.547 5.809 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399980 MFXOSJADIKZNBZ-UUWRZZSWSA-N 618.661 7.912 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(Cl)ccc5Oc5ccccc5)c(C)c43)coc2c1C 101619922 MTKXYTVCDJIXNJ-AVLPFNLUSA-N 596.083 8.048 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 101767750 IYZQBTKYABADAB-HWQYYBGISA-N 535.855 6.769 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 103734445 OQKBXRMDOPXGRT-ZCTHSVRISA-N 554.559 6.150 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741969 PFUDHNQDTVVLHR-QPQMVVSWSA-N 536.426 5.331 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)ccc1Cl 109836027 CRWVDIIDEHXGIB-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)cc1Br 128840933 VRUPCAOJQBJXMN-CQSZACIVSA-N 515.840 6.906 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1 163808510 ZMOSHXVMZCKVTA-IPBVOBEMSA-N 672.086 7.044 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(I)cc1 164619239 WMSJFRRUXVVDTN-FDALDRLYSA-N 781.432 8.404 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 164722277 JSNSFKFJJIWXCK-ZDLGFXPLSA-N 654.673 6.982 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205655067 UYTLLKJRVQJPDE-JBXJFQBWSA-N 554.643 6.500 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCC(C)C 205657046 BXQKRSMFSMZLEH-ZVDZYBDISA-N 510.590 5.875 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214337791 ALZXWFDPIWIMET-PBVDAQANSA-N 572.734 7.785 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 214339500 RUCKOZLIZDFDLE-AWXAQXEGSA-N 524.580 6.639 50 10 KKGE CCCCOC(=O)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(I)cc1C 217253880 BIFUIQOVXBLOFW-PEZBUJJGSA-N 503.340 5.015 50 10 KKGE COc1ccc(Br)c(C=NNC(=O)c2ccccc2OCc2cccc(Br)c2)c1 252627995 SFUGYBPCRCKGBC-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE COc1ccc(C=NNC(=O)C2c3ccccc3Oc3ccccc32)cc1COCC(F)(F)C(F)F 252630650 VCFFKTVFFCSJMW-UHFFFAOYSA-N 502.464 5.500 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254595079 ZILMVUGGMHOPKE-UHFFFAOYSA-N 552.756 8.245 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3ccccc3nc12 256019753 BTSWPNDUQCNJHX-IFQUMMDOSA-N 510.476 6.079 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1cc(I)cc2c1OCC2 380243411 MVVHXCXTSHHJRO-CQSZACIVSA-N 575.409 5.921 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4cnc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575119007 NSNBXSIELVIXGV-SEHLHCIHSA-N 954.195 10.396 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2scc(Br)c2Br)c1Br 705448548 RGZDKZFTKONMKN-SSDOTTSWSA-N 519.427 7.444 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 724915827 RAYGWPKSZRKWAI-VIFPVBQESA-N 523.935 7.198 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1Br 1083987262 DASRSJLVANNUQJ-UHFFFAOYSA-N 601.520 6.970 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 1084040853 ZNUFGSUPDGKOFS-VWLOTQADSA-N 515.437 6.243 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(I)cc1 1084046475 HOBUNYBGBXTWKE-LFVJCYFKSA-N 578.450 6.852 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccccc3)cc2)c2ccc(C)cc2)cc1Br 1084051782 XYMCQCREMVIPLN-UHFFFAOYSA-N 606.542 6.316 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084071453 NDUTZLIIKQFLGV-UHFFFAOYSA-N 601.729 5.024 50 10 KKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1084120636 YCJMFKAGLAIBIE-UHFFFAOYSA-N 537.498 5.901 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084199386 NKTFFEDSQGQGPS-UHFFFAOYSA-N 686.344 6.526 50 10 KKGE COc1cc(C(=O)NN=Cc2ccc(Sc3cccc4ncccc34)c([N+](=O)[O-])c2)cc(OC)c1OC 1084244691 MFKRJYPXNMIDGK-UHFFFAOYSA-N 518.551 5.084 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084547328 OBADIOJERVDSMV-UHFFFAOYSA-N 540.856 5.391 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 1084653384 QWPVIWRJAWCVSS-SGWCAAJKSA-N 551.090 6.582 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 1772753733 FZEMSRAENJHZKJ-UHFFFAOYSA-N 594.333 7.170 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 1772755459 IKNBHDCGKWGPHK-UHFFFAOYSA-N 505.453 5.898 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@@H]2S[C@@H]1n1cnc2c(O)nc(=N)[nH]c21 1857789784 CPYFZUFOASRGOL-FORWCCJISA-N 553.878 5.407 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683953 RDVBLVOVDMMFBN-QFIPXVFZSA-N 507.352 6.212 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688338 PPWOEKIEDFBYDE-PMERELPUSA-N 569.105 7.042 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688351 PYQMARKJSYAVCD-LJQANCHMSA-N 515.795 5.173 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865690962 FZFNRZHZMJURLC-AREMUKBSSA-N 523.593 5.349 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865691025 HGGKUWMMMJAWOD-MHZLTWQESA-N 504.590 5.698 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865692057 IKTLGATZEIAEIJ-QFIPXVFZSA-N 553.457 5.654 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865695121 KJASUYIMDNILHM-MHZLTWQESA-N 506.606 5.841 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OC 1865697389 RBJCHEXPLMKVBT-NDEPHWFRSA-N 571.077 6.666 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701328 SJTHQONXQWNCCS-AREMUKBSSA-N 500.961 5.830 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701824 GKTVVFXMEOPRCT-HSZRJFAPSA-N 539.369 6.410 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703764 FHTSMECMTSBNDV-GDLZYMKVSA-N 519.004 6.785 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703928 IWOXHJFQUVZFRO-FQEVSTJZSA-N 553.368 6.424 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865704048 LKJCQLNQCSQWFP-JGCGQSQUSA-N 577.644 6.893 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)c1OCc1cccc(C)c1 1865706572 ZRBIGQUGBSLVEJ-DEOSSOPVSA-N 564.539 6.204 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865711458 ZAFDOILZZWUYJS-RUZDIDTESA-N 546.986 5.635 50 10 KKGE Cc1cc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866840265 QRCXGKFHDFWQMX-AREMUKBSSA-N 527.675 5.424 50 10 KKGE Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866846638 AHPPRUDNBJESBN-DEOSSOPVSA-N 578.467 5.635 50 10 KKGE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867143781 OIXGUWHTGLXHQZ-RPBOFIJWSA-N 536.495 6.468 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@@H](c4ccc(F)cc4)C3)n2)cc1 1868320807 OGOFQWWGGFNYMZ-AREMUKBSSA-N 510.642 6.401 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)C[C@H]2c2ccccc21 1868415538 YFFRVDQJBRBPKU-SANMLTNESA-N 567.118 6.795 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OCC 1872728897 ZRTHBIGCCACSHS-HAVVHWLPSA-N 517.626 6.714 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Br)cc2Cl)n1 1872747216 SIZLAHOFVRCRKZ-MNDPQUGUSA-N 505.821 6.886 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc(OC)c1OC 1872758501 DATWHPLGVAUQCH-GAZMVHPRSA-N 500.576 6.504 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)c(OC)c1OC 1872759612 UNTUCRMDLLSKIL-JXAWBTAJSA-N 520.348 5.390 50 10 KKGE Brc1ccc([C@@H](Br)c2ccccc2I)c(Br)c1 2024293490 HTRJSZSQOZCPIH-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE CS(=O)(=O)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2047873790 PLMZUZWDMIDJDV-SSDOTTSWSA-N 501.487 5.283 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 2048504000 RHEMKRIKGVNQSV-LLVKDONJSA-N 538.324 7.482 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCCC1 2052513652 VWPNTZMTELYUOU-SNVBAGLBSA-N 523.954 7.832 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2053623289 POTOHQUTEOLRAA-UHFFFAOYSA-N 764.539 7.345 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1ccc(Br)cc1Br 2083336350 ZGFYDEKBVHMYKX-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE C[C@H](C1CCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493650 FICFAUDMKCSFJI-KSBSHMNSSA-N 568.767 7.609 50 10 KKGE CC(C)[C@@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121063842 IHXAOZZYJJFOPR-LLVKDONJSA-N 516.857 5.647 50 10 KKGE CO[C@@H]1CC[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467993 FQSAQTPPMFRCBZ-WHFVKQHSSA-N 540.315 6.832 50 10 KKGE FC1(F)C[C@]12C[C@H]2[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470449 HELMXVKTKVJFMK-LTXJIUSPSA-N 544.253 7.062 50 10 KKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1cc(I)ccc1Br 2146620617 LTNVDGWPYDXGOZ-CQSZACIVSA-N 528.409 6.079 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCOCC1 2173207833 DHISFKUWPKVAQB-ZETCQYMHSA-N 565.869 6.831 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Cl)cc(Br)c2)c1Br 2201079104 QQQMAOXQUOKROY-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2201879287 NECFWJVZCYUKMJ-HQLZOWSPSA-N 571.976 5.687 50 10 KKGE CCc1nn(C)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2203687806 RHCPXVGXFFXXLH-GFCCVEGCSA-N 529.896 6.063 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(I)sn1 2213492287 NOFKUYQNPFAWGT-SNVBAGLBSA-N 511.379 5.740 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cccc(I)c2)c(Cl)c1Cl 2224304718 MAGJLHVRGSHENM-LLVKDONJSA-N 555.262 7.498 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)c(C)c1Br 2227349291 QXBCYDGLSRFGEZ-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)c(Cl)c1Cl 2232528361 HGVUKNPVOBEWOW-LLVKDONJSA-N 587.158 8.419 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)s1 2233017970 CZVXWZCPEWPZSK-GFCCVEGCSA-N 503.481 6.947 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2240994773 BZDNAKALJNWRGL-LBPRGKRZSA-N 536.379 6.778 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2256339914 YZBAUVWLVBAZRW-JTQLQIEISA-N 540.873 7.168 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296506892 KBJZDBJWDIFTTF-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(I)cc1 2296964425 UVYNGZFDLOSCSG-UHFFFAOYSA-N 519.682 5.658 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC 2297534093 XJDBDBYJFGJHIC-UHFFFAOYSA-N 613.736 5.571 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc2ccccc12 2313546004 VIYLQSRFFJPRHK-UHFFFAOYSA-N 629.498 6.288 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(I)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313567733 NPGJZPVRXGHOIR-UHFFFAOYSA-N 549.412 5.126 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc2ccccc12 2313568547 UMSZFUOTKLXJIQ-UHFFFAOYSA-N 527.418 7.044 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4cccs4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 2314433735 RSAQOEBMMJPDMA-UHFFFAOYSA-N 565.676 7.933 50 10 KKGE COc1c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)csc1Cl 2314449212 OBZNZQZOQHGFMX-QGZVFWFLSA-N 502.655 7.236 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c1C 2314534062 XHPJJDDTBCWXIH-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592852 CVEMKBHPDGQINQ-CCLHPLFOSA-N 530.093 6.767 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592894 DEWFBDJFUPVXER-RXFWQSSRSA-N 516.066 6.261 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593135 HZLABPFQGLRZFV-FNZWTVRRSA-N 560.517 6.370 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314618179 IPPSJZINPKUMOF-UHFFFAOYSA-N 536.632 5.511 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314620571 QYUIEEULNMQSRL-UHFFFAOYSA-N 679.991 8.871 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314620771 UTLMTEMXAJMBDV-UHFFFAOYSA-N 604.638 5.803 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634821 PZFPYGGIDZVOMG-MUUNZHRXSA-N 535.427 7.009 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 2314643389 VQIYOFFLWWKFOP-UUWRZZSWSA-N 574.652 7.539 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 2314646967 XDSFYSVXCXMUTG-SANMLTNESA-N 660.708 5.219 50 10 KKGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 2314754457 SQFCHOSZVFEVPQ-UHFFFAOYSA-N 530.577 5.318 50 10 KKGE Clc1cc(Br)c(OCc2sccc2I)c(CBr)c1 2316757837 NMWJTYMBXDACPB-UHFFFAOYSA-N 522.427 6.243 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1c(Br)c(Br)nn1C 2316838738 ZINJWRATBZTRQS-SSDOTTSWSA-N 521.898 5.870 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 2328794961 OPHQKKABTCJWRN-HNNXBMFYSA-N 510.418 5.334 50 10 KKGE Clc1ccc(CC[C@H](Br)c2ccccc2Br)c(I)c1 2341032436 MCFASMFWYQJANA-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(I)ccc1Br 2365185257 IKQDILBRCVXSED-LBPRGKRZSA-N 641.736 7.511 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38658638 XLFNUYGPFZRLFO-KWMCUTETSA-N 514.578 5.418 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38685470 SBMKDWFDIRGNMB-PMERELPUSA-N 504.586 6.846 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812155 GABYSOXBKNXUSC-OVVQPSECSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814603 OQHKBQYLSFKBOP-MTDXEUNCSA-N 515.353 5.455 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825862 VUQCAHHTAMWENT-FDAWAROLSA-N 507.377 6.166 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc6c(c5)OCCO6)c(C)c43)coc2c1 40827037 QANLEHOGQGKNBZ-RUMWWMSVSA-N 527.577 5.374 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 59460602 DKSLQIMXCOOFDD-PLRJNAJWSA-N 511.357 5.425 50 10 KKGE C=C(C[C@@H](CN(CCCl)CCCl)C(=O)c1ccc(OCC)cc1)C(=O)c1ccc(OCC)cc1 95721592 GAFNRQALKYWKKG-QHCPKHFHSA-N 506.470 5.892 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)c(Br)c3)cc2)cc1 100064546 OLCCJKNABIRUBS-UHFFFAOYSA-N 550.497 6.371 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100192137 JTBSXMHSBYEZEC-UHFFFAOYSA-N 542.268 5.138 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101307583 CXXVKFHCJHVLEQ-RUZDIDTESA-N 545.016 6.565 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336148 QVHHBLNEXKBGIT-PCLIKHOPSA-N 569.618 5.254 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OC 101369113 JRYHBNABZVDVPN-AREMUKBSSA-N 549.421 6.074 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 101375557 GOCRZYJYJHCMTQ-MGBGTMOVSA-N 584.713 7.661 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380781 PISRWFZYMNEDBH-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101381686 QBBJOTZSQMMJSR-WJOKGBTCSA-N 532.596 6.490 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101386659 ZZSXNKBJTGNBIE-MPTHVEHBSA-N 583.015 6.904 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101388027 HZYBVAZZIHPMHN-WJOKGBTCSA-N 612.038 6.972 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101393559 MRWHDGLHSSBPBJ-JOCHJYFZSA-N 602.293 7.417 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c(Br)c1 101614483 LTJGMRRPPYUFFB-MTDXEUNCSA-N 560.246 5.539 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2c1CC[C@H](C)C2 101645378 WALNXOFNBJCPJQ-MSYPBOOISA-N 556.084 6.446 50 10 KKGE Cc1ccc(C(C)(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 101647207 YKOCLQYCVHDGKU-FSRJSHLRSA-N 568.899 6.155 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC 101727496 QDRGBXGKUFSHIQ-YSURURNPSA-N 540.892 5.876 50 10 KKGE CC(C)NC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 103152616 SRNNMQZPGPGNRM-YYDJUVGSSA-N 526.037 5.028 50 10 KKGE O=C(N/N=C/c1ccc2cccnc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103736432 LZUJLCXHOJKOBB-YOIUXKKVSA-N 517.245 5.424 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743125 AAEPMFMYVZXNMW-ZDDKYUFNSA-N 536.484 6.087 50 10 KKGE CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103878752 OEKNPCSYJTVCKT-HNSNBQBZSA-N 604.501 6.320 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(Br)cc1 108731936 WVSCIAPOWIXFCZ-UYRXBGFRSA-N 545.355 6.991 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1 150409756 SCRYHVZSDCPOQF-BRJLIKDPSA-N 633.135 5.792 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc(Br)sc1Br 161071956 GAIZCWHKMGZJFR-JTQLQIEISA-N 524.297 7.126 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(I)c2)cc1 164628889 JJZAIFGTTGWLPX-JEPNHJGPSA-N 645.928 8.054 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780382 JDNYGDJOURATHQ-AWLRXGSOSA-N 662.768 5.562 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1OC 206694418 CCHXUQIBLYRGKO-QJOMJCCJSA-N 532.662 7.024 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1 214393245 FQTAAHHHZLHXKH-QBILKASISA-N 556.622 5.664 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 254444131 GJURSSFAKVFDGO-ODAYUULNSA-N 563.739 6.581 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)/C=C\c1ccccc1 254444610 QQBSSAIPPVJGFC-WBAFVVMUSA-N 506.558 5.510 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1OC(C)=O 254480377 LXKQNPWFMXMVFJ-UHFFFAOYSA-N 571.703 5.717 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 503944069 OPYUSJFJMUNXDI-QKYPYLSSSA-N 978.338 7.930 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 616588658 SPJDUVLVXVPMQD-SANMLTNESA-N 507.772 6.982 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 725439836 WPVWQHYMDWJRHJ-MUUNZHRXSA-N 640.372 7.306 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1Cl 725442791 RGTWBUFSJIRHJW-JAIQZWGSSA-N 572.830 6.695 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2C)c1C)S(=O)(=O)c1ccc(C)cc1 1083915891 BNISIYNGDFHGIT-UHFFFAOYSA-N 572.731 5.682 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(Cl)ccc2C)cc1 1084001840 BTIURHYJMYOKCX-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 1084057875 GHHQVMIHNYLXIN-UHFFFAOYSA-N 565.073 7.064 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 1084214004 ZYZGEGSPGOIJAE-HSZRJFAPSA-N 529.406 5.530 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1084239042 AEQUQYDJGGLQHE-XMMPIXPASA-N 529.406 5.530 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1 1084297434 UPOZXMNHNUBLOB-UHFFFAOYSA-N 578.452 6.362 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl 1084387187 TXEHMIOBHPLXJV-UHFFFAOYSA-N 548.220 6.854 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1084437625 LPFGHGFEGLANMX-MFOYZWKCSA-N 536.242 7.824 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1ccc(Cl)cc1Cl 1084483876 NAXQZPWSMNWPER-UHFFFAOYSA-N 700.360 7.194 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084510275 ZEGPEHFORABGFA-WOJGMQOQSA-N 546.248 7.279 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 1084648965 QWUNEZUOTHSEGU-UHFFFAOYSA-N 632.069 6.000 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc3ccccc23)cc(Br)c1OCc1ccccc1 1772753912 GIJSJGBMEXKKHO-UHFFFAOYSA-N 519.395 5.719 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC(C)C 1772754926 AHKPLFKJAFKIDA-UHFFFAOYSA-N 568.946 6.654 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686258 SODYTYCIZCCRNM-HSZRJFAPSA-N 572.279 7.439 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865691259 NWWIEJSUGHAKAB-SANMLTNESA-N 508.553 5.529 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865696196 YDPINLVUUSSIDG-NDEPHWFRSA-N 520.633 6.394 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696707 QKHNBMWPBBIPOO-RUZDIDTESA-N 557.448 5.910 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865701738 DEAPRMCYCRFSMU-FQEVSTJZSA-N 501.787 5.657 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706657 BXNKPNQXZRVWTI-LJAQVGFWSA-N 521.640 6.268 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998463 YAUUZDNWJQUUKX-KAYWLYCHSA-N 548.064 5.698 50 10 KKGE CC/C(=C\C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867114357 CLEVDATVLNPCEZ-DQJRMYJUSA-N 582.495 6.330 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)cc1Cl 1867142130 YXILMFWSPKLDBI-FREGXXQWSA-N 556.087 6.940 50 10 KKGE CC(C)C[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199146 WZVVIYMGISPCKL-IZZNHLLZSA-N 568.512 6.657 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1OC 1868341852 BEZUKARNXPLPEE-UNMCSNQZSA-N 519.671 5.810 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5cccc(C)c5nc43)n2)c1 1868506544 YRKYAGSJBFPWEI-UHFFFAOYSA-N 516.630 7.020 50 10 KKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544691 JCWCCAVXCYOTLE-HKBQPEDESA-N 533.745 8.518 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 1872754285 LEWRZMGPHKLGNL-OIURLTOFSA-N 516.233 7.692 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 1873920999 PMQGMDYXBICRSK-DASRABTFSA-N 503.624 6.016 50 10 KKGE O=C(c1cc(Cl)ccc1I)N(Cc1ccccc1)C1(CBr)CCC1 1915759376 CAGYLLRHDWVVAK-UHFFFAOYSA-N 518.620 5.905 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1I 1924612436 LVWRETJHNJBVJZ-QMMMGPOBSA-N 694.644 7.887 50 10 KKGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(I)c(Br)c1 1924906276 HDXDIUZYACSNAJ-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCC1 2025781947 JVHUAMZIXUZJOQ-LBPRGKRZSA-N 510.289 7.207 50 10 KKGE BrC[C@H](COc1c(I)cc(I)cc1I)C1CCC1 2029291653 PUQZJOZOQWFQCQ-SECBINFHSA-N 646.870 5.690 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)cc1Br 2034562131 POIFEZQAGAAINM-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE COc1sc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 2034629766 QAEJDZCQXABCEH-NSHDSACASA-N 519.878 6.529 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(I)ccc2F)c1Br 2050466982 HDJHXYCELJBWPQ-SNVBAGLBSA-N 524.418 6.653 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085495698 RYEQXCQAKXEQDN-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE Brc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1 2086145461 MUXXKLLSOMGCKO-CYBMUJFWSA-N 544.850 6.495 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)c(C)cc1Br 2094091202 QDRWVERAMOWMKR-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(Br)cc2)c1Br 2138849235 CZLLISZDUJCPFL-AWEZNQCLSA-N 511.877 6.961 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)cc2Br)c1Br 2138852236 RMZZNETXGFSDDD-CQSZACIVSA-N 576.746 7.529 50 10 KKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469870 XLRLBAJAOJTKCK-WFEFGEHDSA-N 538.343 7.699 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)c(F)c1 2142289153 XKSUBRIREFYIJK-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE CCCCCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Cl 2164485725 BWXAKMKKTMFNJQ-LLVKDONJSA-N 509.573 8.893 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@H]2Oc1c(I)cc(Cl)cc1I 2173619188 OKHUVIYDKSJQMJ-BTNBEGNRSA-N 537.006 6.114 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)s1 2218599226 ZBTBLRQMYYCVLK-LLVKDONJSA-N 521.869 6.967 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Cl)ccc1I 2225632495 CNTNXTWOVVQGNQ-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2225635780 XLIYSELXCHRVMT-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2231826506 SNNBOLCSIVUYEQ-HGWBJXFBSA-N 507.391 6.330 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2234068681 PTSIDPPKDCQMEA-MRXNPFEDSA-N 511.689 5.865 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Br)c(Br)s1 2247988100 QJXUDBFYKYREOC-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)s2)cc1I 2257370929 VTAOTWRUCKRTKW-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cscc2S(C)(=O)=O)c1Br 2272851382 IILJHHDMUKKXBR-SECBINFHSA-N 509.104 5.531 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293038948 KZPWZQOSNJFRTP-UHFFFAOYSA-N 559.272 7.609 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 2294168605 UTZKTDPWYMZRMZ-UHFFFAOYSA-N 618.471 7.366 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295278963 IXKGLFFJOWOXMZ-AWEZNQCLSA-N 527.876 6.661 50 10 KKGE Cn1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)n1 2299531548 WWUDJPFJQAFYHV-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313511247 VZMSGUNBKUYYNB-UHFFFAOYSA-N 570.168 5.315 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518386 ABVGNESUJNMGDS-UHFFFAOYSA-N 593.248 7.040 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1Cl 2313630409 LBTXCNWDSYVYNL-UHFFFAOYSA-N 504.011 6.285 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314441439 YSFOMDMEJZLEEV-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592554 XJIYTEUVMFAPFH-NDEPHWFRSA-N 509.675 6.746 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593230 JXPQCVHSTUWRIO-NIYFSFCBSA-N 532.065 6.042 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593510 OHAPTLXETIUZBN-HSZRJFAPSA-N 526.445 5.946 50 10 KKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 2314616663 GRVFPQBMANIIJB-UHFFFAOYSA-N 532.637 5.506 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618966 XMXPDUFEFSGILC-RUZDIDTESA-N 659.573 8.779 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 2314620592 RVPBUPAWRGTOEN-UHFFFAOYSA-N 518.548 5.479 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 2314790169 CFYCDPBOIHQSFU-UHFFFAOYSA-N 506.599 5.181 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(C)c2Br)cc1Br 2320497619 OAMYWHFGMJCGMD-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCC 2328829446 CFXITQGYMODPKP-QHCPKHFHSA-N 503.684 6.064 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)nc(O)c2cc1OC 2331044443 KBCHNQIIEUJEMB-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE Cl[C@@H](C[C@@H]1C[C@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2333303409 BUYHTGAYEBCVFB-LAEOZQHASA-N 536.327 7.453 50 10 KKGE Fc1cncc(OCc2cc(I)ccc2Br)c1CBr 2341777947 FKLKTZUPHLDCDZ-UHFFFAOYSA-N 500.931 5.062 50 10 KKGE O=[N+]([O-])c1cc(Oc2cc(Br)cc(I)c2)ccc1CBr 2364106248 ISHBQFDLNPGHAX-UHFFFAOYSA-N 512.923 5.649 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(F)cc(Br)c1 2365184291 DFYNXWHHLIUIGN-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1ccccc1I 2365191539 OXLGMTBVZYJQKX-NSHDSACASA-N 532.416 6.786 50 10 KKGE CCC1CCC(CI)(OCc2ccc(Cl)cc2I)CC1 2365635512 HOXWDACNPWDIJK-UHFFFAOYSA-N 518.604 6.235 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(Cl)c(I)c2)c1 2366895113 HNVCJTCWZNARIV-ZDUSSCGKSA-N 504.420 7.320 50 10 KKGE COc1cccc(N/C(SCC(=O)Nc2c(C)cccc2C(C)C)=C(\C#N)c2nc3ccccc3s2)c1 3224592 SKWPETFRUMETTP-NFFVHWSESA-N 528.703 7.413 50 10 KKGE C[C@@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1 33859671 PZVHLPMMJIEHBM-JOCHJYFZSA-N 504.074 5.684 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38684581 XFVHWJBISCTZIW-MHZLTWQESA-N 516.981 5.724 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 38686710 CJGHMFPDLDYBCS-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccccc1F 38687928 ZEURPQVPKKNITK-NRFANRHFSA-N 511.361 6.785 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 40826610 BGEGZCNSPIJBAN-WEMUVCOSSA-N 529.593 5.620 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cccc6cccnc56)c(C)c43)coc2c1C 40826759 FYQOBHHFWXRJIQ-GZZLJNBRSA-N 521.573 6.118 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100121966 NDYLHSLLXGRYET-GDMGRDRRSA-N 557.563 5.667 50 10 KKGE CCCCOc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100164747 RFDGGIXLKKOFSB-UHFFFAOYSA-N 550.247 5.384 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 100235775 OXBWSZXFGTVZPY-ZZJXEYPFSA-N 580.306 6.698 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 100452576 BQWXTKRNTJCLAB-OADPBGPJSA-N 536.253 6.299 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869836 XWPLPVLDAJOFKG-WCMJOSRZSA-N 591.444 5.556 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc(I)cc2)cs1 101034098 JCCOVFBLCFESEQ-OQLLNIDSSA-N 549.220 8.046 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 101034406 MBEVERHMASYBKF-RGVLZGJSSA-N 614.477 6.769 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240966 LLSJHNJDMIOUQT-IYQUHZLLSA-N 516.066 6.206 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101334637 DKROSZWMGJEKKA-YDZHTSKRSA-N 515.411 5.550 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101337547 ANZHGESRYDDKHH-XLKFHUSGSA-N 519.004 6.546 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362442 RLUIZRRYEAIKEQ-WJOKGBTCSA-N 534.568 5.477 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1OC 101375348 CVVDRXDYABSPBU-JQZLHZHWSA-N 538.644 6.881 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc(OC)c1OC 101376114 IDZPYUKNYBLUHA-NDEPHWFRSA-N 544.604 5.575 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc(C)c1Cl 101383370 OJIBIAXRAOHTRV-HKBQPEDESA-N 601.486 7.392 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383803 RAOWGCKACBUTDH-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386911 DBIJVWCWRKZKHK-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101390625 AFVCZKOIJYBJCO-JOCHJYFZSA-N 571.869 7.698 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101394262 PQHTWSXMIUNRHU-HHHXNRCGSA-N 528.536 6.115 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCC(C)C 101395486 VEZINYKWXUUSCF-MUUNZHRXSA-N 538.556 5.274 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101397737 DPTNEASZGIRAHG-SSEXGKCCSA-N 560.537 5.948 50 10 KKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 101664013 YKZXUDKLDSMECD-UDWIEESQSA-N 522.351 5.189 50 10 KKGE CCOc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 102851905 SLYNQRQNJXJYEF-JCMHNJIXSA-N 521.982 5.186 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1CCC(C)C 103071107 PMNUSBNDSPPTRY-IWIPYMOSSA-N 537.607 6.493 50 10 KKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 103878008 CVDMQDGQIALPIU-VVEOGCPPSA-N 555.259 7.577 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 104998391 KGZVXOALQBJZFQ-FAJYDZGRSA-N 518.853 5.947 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105054986 GKLKMCJWBZZPEG-ROPCREHHSA-N 574.291 8.222 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccco1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105063568 IIOTZIVHBSTPSC-WCMJOSRZSA-N 531.399 6.782 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1 109562905 PJMUXIGPIQUXLJ-XHPQRKPJSA-N 535.607 6.727 50 10 KKGE BrCC(CBr)(Cc1cc(Br)cs1)c1ccc(Br)cc1 118671780 AEPCLBHDNIAFJT-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccc(Br)cc12 150483474 HCZNTGAQLBSJHV-PMERELPUSA-N 625.450 7.659 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)cc2)sc2c1CCCC2 150485721 JBBXBEIUIIFCQR-GEFWVDSRSA-N 724.663 7.868 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 161203646 MBSNMXMFLGAHJA-JTQLQIEISA-N 507.842 6.659 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 214333538 WYXDBEGYTCIMSQ-FIOJILPZSA-N 529.556 5.801 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217200139 CSNADTILSRANKV-NMQHBHJOSA-N 504.678 5.557 50 10 KKGE C[C@H](CI)[C@H]1CC[C@@H]2/C(=C/[C@@H]3CS(=O)(=O)[C@H]4CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]34)CCC[C@@]21C 253387352 IDATXVLPBFLZRH-ZPJLGTISSA-N 620.754 7.804 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254375847 HDBVAYCYBNDLDS-UHFFFAOYSA-N 536.584 6.068 50 10 KKGE O=C(CCCCCCCC(=O)NN=C(/C=C/c1ccccc1)c1ccccc1)NN=C(/C=C\c1ccccc1)c1ccccc1 254703431 DFFZVOLNHOLTLS-DVRLHNGMSA-N 596.775 8.185 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)/C=C/c1ccccc1 254707791 JMNMLZVUXIJYFW-SXMKTTLJSA-N 569.639 5.187 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C\c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1 254790432 DDVYXJANZGIVPG-XJYIRMPRSA-N 534.660 6.006 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1cc(C)c(C)cc1C 256028432 LUOLGLJHXVQLQO-UHFFFAOYSA-N 611.587 6.723 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Cl)ccc2I)[C@@H](CI)C1 382726736 QUAYKKUQKHAXLJ-GWCFXTLKSA-N 547.602 5.330 50 10 KKGE CCOC(C)(C)O/N=C1/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H]1C 409421684 SFTHBPKNOPSKEE-PDKPQGFYSA-N 993.479 7.734 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 504096872 YYCIOXJPTWKWAF-SLHWAENSSA-N 532.838 7.615 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OCCCCCN(Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1 575449012 FCOQGJJPERRCOF-OPDPEQHBSA-N 843.110 8.939 50 10 KKGE Brc1cc([C@@H](Br)c2cccc(I)c2)cc2c1OCCC2 689538253 CGNHSXRPEMUIGL-HNNXBMFYSA-N 507.991 5.863 50 10 KKGE Brc1cc([C@@H](Br)Cc2nc3ccccc3s2)ccc1I 721581488 YIYPPNIBYQZLHG-JTQLQIEISA-N 523.031 6.342 50 10 KKGE CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 1081087978 SGGANCFJEHZNCI-MBQKUGEXSA-N 979.452 7.344 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083944034 CORIFXSRTQOMCO-QFIPXVFZSA-N 566.279 6.307 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 1084151243 ANGIJFJTZPTGMB-UHFFFAOYSA-N 661.543 8.553 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084332964 BRWFBJZBOPRLGF-MHZLTWQESA-N 517.582 5.265 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1cccc2ccccc12 1084406489 XMRCFGFCFAAYGK-UHFFFAOYSA-N 556.425 6.248 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1 1084465050 CDGWJDKXJDRARF-UHFFFAOYSA-N 560.123 7.404 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1c(Cl)cccc1Cl 1084536565 ONKUEICVZWLBSU-UHFFFAOYSA-N 511.472 7.503 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 1084627181 AULCFEPXAABNAO-UHFFFAOYSA-N 500.780 5.079 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746421 FLCZNUSGVVMLDF-UHFFFAOYSA-N 518.371 5.016 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747142 LJTNLUMSOPUWOT-UHFFFAOYSA-N 518.371 5.016 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681337 KPNIMOINKLMADF-QHCPKHFHSA-N 518.932 5.029 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(Br)c1 1865684197 NAMQZDBXMYEOCU-OAHLLOKOSA-N 540.137 5.634 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865689825 XGUFJJSOZWTXCW-HXUWFJFHSA-N 502.468 5.105 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690613 WYYRNEYNIYIRQT-XMMPIXPASA-N 517.416 6.522 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865692752 PDBITLTUDGMVFV-RUZDIDTESA-N 565.512 6.692 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc(Br)c1OC(C)C 1865697723 AFBZOOPRMOVTMR-XMMPIXPASA-N 557.448 6.316 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700886 HAEIKAVKZSQQER-HHHXNRCGSA-N 557.050 6.428 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704153 OOXJBPCYMSZPTF-MHZLTWQESA-N 568.555 6.850 50 10 KKGE N#CSc1ccc(NC(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)O)cc1 1865861050 FVYOZCKMHCTMJE-UHFFFAOYSA-N 613.907 6.260 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866727131 CKMNDFGGTHQANV-CLJLJLNGSA-N 545.636 5.420 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866797039 TWPXZXSWWRESJT-XMMPIXPASA-N 566.477 5.447 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987563 AALYAVRCAJJKHL-LOSJGSFVSA-N 508.018 5.912 50 10 KKGE Cc1nnc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2cccc(Br)c2)o1 1867035353 VGXQLMJIEZAGRI-ILBGXUMGSA-N 576.476 5.732 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915107959 YEWBOPIATDRLAE-LLVKDONJSA-N 510.089 6.089 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)cc1Br 1915754754 CGBOARDDPSETLB-UHFFFAOYSA-N 566.153 6.029 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923065355 BGMWUFWWKVBEQC-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC[C@@H]2CCOC2)c1Br 1924604431 BNVZUJWVBNDUOI-RQJHMYQMSA-N 511.899 6.288 50 10 KKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2Br)c(I)c1 1948822315 CHMFFSCKXFVCDS-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Cl[C@@H](CCC1CC1)c1c(Br)c(Br)cc(Br)c1Br 2025779323 GAPYPZBPYDBQOW-VIFPVBQESA-N 510.289 7.207 50 10 KKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2049575756 ZSFPVINVONSQJF-IONNQARKSA-N 523.954 7.688 50 10 KKGE COc1ccc(C(=O)c2ccc(C(C#N)=Cc3cccn3-c3ncc(C(F)(F)F)cc3Cl)s2)cc1 2053466650 ZROWFCHLZBVPFG-UHFFFAOYSA-N 513.928 6.910 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cnn(C)c2I)c1Br 2083329624 GBXFIJKZZIHRHB-NSHDSACASA-N 504.391 5.186 50 10 KKGE CCC12COC([C@@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2084483624 KBSUUTDZXZPUCH-RKWZHAFESA-N 523.910 6.431 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085495697 RYEQXCQAKXEQDN-JTQLQIEISA-N 582.775 7.591 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCCO2)c1Br 2085496962 YVPHCVOYPXYXFT-QPUJVOFHSA-N 570.739 6.742 50 10 KKGE O=S1(=O)CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500142 XIEULPLECOBIPZ-QMMMGPOBSA-N 590.751 5.217 50 10 KKGE C[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469459 VLVPHOFMPWZWGV-VHWMUFPASA-N 596.699 7.761 50 10 KKGE CCOC1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469788 WXMROOKOQGFXGD-HKSSTPRTSA-N 540.315 6.832 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1I 2232832505 CMKFULIDNJHKLR-OAHLLOKOSA-N 554.991 5.623 50 10 KKGE Cc1sc([C@H](Br)Cc2ccccc2I)c(Br)c1C 2253504271 KBIYSOUGYIBMEN-LLVKDONJSA-N 500.037 6.411 50 10 KKGE COc1ccc([C@H](Br)c2sc(C)c(Br)c2C)c(Br)c1Cl 2283550186 UAMDWMJWABSFPR-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 2293523518 AXTAXUYQNAQXOX-UHFFFAOYSA-N 512.595 5.367 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(C)c(I)c1 2295267683 PEHSEVANQWBJMQ-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 2313631584 SDYBQKOWHYVGLV-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)cc2)cc1 2314414631 GYXKCGLLEIRSJA-UHFFFAOYSA-N 521.624 7.378 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 2314476943 YLQVRKSCVRBUFB-UHFFFAOYSA-N 524.429 6.583 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314500593 PEYHICKDMKOFEY-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592591 YHKNENKRWLAWRN-AREMUKBSSA-N 600.062 7.556 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314617068 QEMKGFZSNXVZQA-UHFFFAOYSA-N 600.675 6.404 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c(I)c1 2317774833 SEHJZLUCGSUZIE-MRVPVSSYSA-N 516.840 7.451 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc(Br)c1O 2318356183 AEKSDUJBCTVGRK-UHFFFAOYSA-N 599.532 5.662 50 10 KKGE N#CC(=CNc1ccc(Oc2ccccc2)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599326 YOHNQEXKCPBSBA-UHFFFAOYSA-N 514.629 6.232 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1 2331325151 POZOHFBKOPWSRZ-UHFFFAOYSA-N 515.591 5.706 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 2331410960 XMUKUJCUQGQASJ-GOSISDBHSA-N 508.043 6.443 50 10 KKGE COc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)c(Br)c1 2338831329 LWIQYOVWGSNETA-SNVBAGLBSA-N 533.905 6.723 50 10 KKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2343017031 INIPXHJEXDQYKL-GPGOKOMYSA-N 547.879 6.532 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2361201813 WGOVNFAYCXNKAJ-IBGZPJMESA-N 506.200 7.977 50 10 KKGE CS(=O)(=O)c1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361201911 WXFCQMBJKTVOBB-NRFANRHFSA-N 510.247 5.916 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364064143 OSKXVQNPGCNXHO-SECBINFHSA-N 535.831 5.340 50 10 KKGE COc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 2364188518 NZHMBAAQIFMDJB-SECBINFHSA-N 568.350 7.376 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)sc(C)c1C 2365194800 VIGBMUCVMJMHCC-GFCCVEGCSA-N 505.472 7.428 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccc(OC3CSC3)cc2)cc1 8398214 QONNKMSDZKCNLO-UHFFFAOYSA-N 606.169 6.302 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649782 SNKSPEMDUDBKQP-GDLZYMKVSA-N 510.634 6.990 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)cc1Cl 38651056 KPCGRDTUGGJMRJ-QFIPXVFZSA-N 515.780 6.483 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660882 JKGHVYCRAFJZLO-XBBWARJSSA-N 522.532 6.209 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38681168 LSBGJNJGHRXICL-SONOPUAISA-N 526.589 5.413 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1 38684705 VWGVSWKPGQWXJV-SSEXGKCCSA-N 526.633 6.728 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38685364 MAFVOAORGAVWJX-SANMLTNESA-N 523.416 7.000 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-])c1cccc2ccccc12 40645905 UTJFUOCPADCRQO-QNEJGDQOSA-N 504.510 6.454 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 40794882 HUAQFOHOWQQVKQ-UHFFFAOYSA-N 512.923 5.750 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813694 QPXCDLHFNOLUCI-RDRPBHBLSA-N 504.801 6.579 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823275 ZGWSHZYRVJGAOI-PNQUVVCRSA-N 513.797 5.483 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100139686 ZQRYABMPJHDYIU-UHFFFAOYSA-N 528.241 5.011 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335762 UQMHLKRTAKXBJZ-LICLKQGHSA-N 542.773 6.144 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc2ccccc2c(=O)[nH]1 100920352 JULNZWWCRPFGRR-XQNSMLJCSA-N 590.470 7.726 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 101034423 RSRPHPXGFDSAGY-VCHYOVAHSA-N 542.598 5.463 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242106 QXIYNMCWXLWCHK-YDYXIROLSA-N 536.451 5.347 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101332253 NPISTVNNWFCBGO-WPWMEQJKSA-N 500.558 5.340 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101332527 RIOZJPZLHSQTGY-OGLMXYFKSA-N 532.575 5.870 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362529 RWZRBTIYHPZKPF-UMSFTDKQSA-N 538.603 6.785 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 101375608 VKHSIDQBHPIKET-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1C 101384394 NQFMEBUVQAXGJZ-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101385354 IMPXYEMGVQTRCS-XFSFLGPDSA-N 580.612 6.313 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101385380 WVPOPRZOOXRLDN-BHVANESWSA-N 582.656 7.102 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101388952 DSROXESRPMPSGK-SNSVSFJOSA-N 592.623 6.649 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1F 101389202 CWISVKOGSIGXDY-PMERELPUSA-N 581.556 6.149 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccs1 101392139 IVIQZXJVONPRPX-GOSISDBHSA-N 533.845 7.360 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 101394305 RFCORMQQSMHZOS-LJQANCHMSA-N 562.261 7.952 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101395546 QTAJGSCJGMHMLN-LJAQVGFWSA-N 611.522 7.653 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1Cl 101397105 BSWJQKRJLDYNSQ-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccccc1 102412726 RIEHAINBJNUITE-HIYJYGDOSA-N 611.530 6.584 50 10 KKGE COc1ccc(/C=C/C(=N/NC(=O)CC(=O)N/N=C(\C=C\c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 105636903 GSIHQKHTEPMITA-GCWKBKNSSA-N 632.717 5.879 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2cc(Cl)c(Br)s2)ccc1Br 124624961 VXOXYUQHDQFRMI-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 150428486 JQTSWGJRKGZDBE-LUHMOWLYSA-N 659.202 7.460 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433361 SFUWUNRCJZSUBO-BHVANESWSA-N 651.546 8.491 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(I)cc1 164626021 DPKNWEIJXQIGGG-VFLNYLIXSA-N 698.149 7.304 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 214307242 QMAZJXALGGKLFJ-USHMODERSA-N 538.648 5.735 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 252603411 FQPBEVCNGVGROY-UHFFFAOYSA-N 548.776 6.100 50 10 KKGE C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC2(C[C@@H]1C[C@H]3O[Si](C)(C)C(C)(C)C)OCCO2 253610063 IABXCHJHDYUDHX-FNUIYTSASA-N 630.961 6.595 50 10 KKGE in-vitro COc1cc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O 254518860 LEMCNMHOWKZQCN-UHFFFAOYSA-N 543.693 5.887 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 254558393 GVCPCCHAYLMYSC-LLVKDONJSA-N 536.626 7.043 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 256018202 MKXVOKRJBCBLIC-NFSMTCSTSA-N 583.464 7.245 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 504569492 DFUXHMHWOWANRY-BCROOKKGSA-N 567.836 10.525 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1scc(Br)c1Br 705418854 LIFWDGMAJWUBHB-JTQLQIEISA-N 524.297 7.126 50 10 KKGE CC[C@H](C)c1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721574172 VOCGQJGBRFWDIE-APPDUMDISA-N 508.035 7.052 50 10 KKGE CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240344 ZUTUXWMYGVBMNN-WKXSYDTISA-N 519.849 5.524 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 725444343 MNVIKKCQCGXTJL-UHFFFAOYSA-N 585.513 6.110 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)c2C)c1 1083982105 DQRVDOSXMVNHAM-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 1084147702 QFXGZRTZNUIXDP-VUTHCHCSSA-N 502.614 7.400 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccccc1OCc1ccccc1Cl 1084240386 DXANHXKFDWBARO-UHFFFAOYSA-N 541.054 6.460 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 1084379972 NYYMIDZADHYYRT-UHFFFAOYSA-N 657.612 8.966 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084474228 OISPOLNGFUZXAC-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1OC 1084586658 FCJZZICZZLVLMW-UHFFFAOYSA-N 606.926 5.330 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1C#N 1084599410 BAFZJPKNVSQNHF-JJFYIABZSA-N 516.395 6.071 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)NN=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 1084604089 CAGOOIJVCUBDFY-WFTOLYOPSA-N 696.001 6.564 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084614598 INYRPHYLPBUMLT-UHFFFAOYSA-N 710.399 8.716 50 10 KKGE COc1cccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 1084642000 LKIGYIZCBLIYHZ-UHFFFAOYSA-N 513.667 5.474 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748042 NEUWBHUWEIVCQQ-UHFFFAOYSA-N 539.941 7.136 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772751497 DPEUXJVJKSWECH-UHFFFAOYSA-N 526.633 7.001 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865691818 BTWFJGJKEQHWPJ-DEOSSOPVSA-N 571.903 6.452 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865694113 PTLKZQSSPSWNGE-XMMPIXPASA-N 527.422 6.309 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694828 CRQAPLKVBJLVJA-AREMUKBSSA-N 514.988 6.083 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cc(Br)ccc1O 1865695271 BAIKMXKBHUTKOD-QFIPXVFZSA-N 517.358 5.424 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695500 DKFNXKAOVJINBH-QHCPKHFHSA-N 529.394 5.293 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)c1 1865695805 HNPQDMQAHFWODB-DEOSSOPVSA-N 527.422 5.902 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696269 CZKCNYIRPUDSHH-LJAQVGFWSA-N 538.623 5.871 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698314 PWZOGQSVSOOALE-RUZDIDTESA-N 565.512 6.277 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865702589 BVHMKVCXWBOFQW-GDLZYMKVSA-N 506.606 5.993 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865702982 JXQICAGOMBHUSZ-AREMUKBSSA-N 527.422 6.049 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703044 LNSQKSCGGKVSED-AREMUKBSSA-N 517.416 6.344 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OC(=O)c1ccccc1 1865705518 XWLAPMUNHSRAIW-GDLZYMKVSA-N 528.568 5.780 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705716 CWDVBOFIZFNLBS-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868455834 DNLMWZVOTQXGSU-UHFFFAOYSA-N 540.624 6.967 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 1873940959 PGSFSGQPQOCTDT-RFBIWTDZSA-N 514.566 6.104 50 10 KKGE Cc1cc(Cl)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924590408 JETLQRLEMVZCLB-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Brc1cc([C@H](Br)Cc2ccccc2I)sc1Br 1940448110 ULNIRMZVJLQTCO-MRVPVSSYSA-N 550.879 6.556 50 10 KKGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)Nc3ccc(Cl)cc3)=C2N2CCOCC2)cc1 2059857430 WOMOOKSACJOJOC-UHFFFAOYSA-N 508.066 5.757 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@]23CCOC3)c1Br 2141468657 MHSRUZNGWFKHMM-RMCLDHHASA-N 582.750 6.599 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141471834 WUZLPTWZNRFQFB-RYUDHWBXSA-N 542.287 5.822 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2232835891 ZYCDIQGLBZQMNI-GFCCVEGCSA-N 524.838 7.651 50 10 KKGE CCc1cc([C@H](Br)c2cccc(Br)c2Br)sc1Br 2255981557 YCENAKQBGLOASN-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)c(I)c2)c1C 2256330787 DJPOQFBKUDDCEY-LLVKDONJSA-N 520.455 6.870 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Cl 2283567485 CDPHYUZJPKPUNP-CQSZACIVSA-N 548.871 7.462 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1I 2288366050 YTSSVYSTMKAWLC-QMMMGPOBSA-N 580.830 6.773 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198163 BFGHEDJFHVAKMB-XMMPIXPASA-N 601.353 6.541 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198221 LBZSALQBEBERJV-JOCHJYFZSA-N 512.418 5.638 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1)C(=O)Nc1ccccc1 2294593264 QNAYHCCFOUCSBW-UHFFFAOYSA-N 545.477 7.500 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2F)ccc1OCc1cccc2ccccc12 2297551432 JUGZIQGRKFCHSO-UHFFFAOYSA-N 545.408 7.265 50 10 KKGE O=C(Cc1ccccc1)Nc1cccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 2297672266 YODADSLXDHYQDP-UHFFFAOYSA-N 542.433 5.973 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2sc(Cl)cc2I)c1 2301084638 WEDWWPKGIVIITD-JTQLQIEISA-N 510.391 6.392 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556232 RTCHCNWTIZANGT-UHFFFAOYSA-N 581.841 6.271 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(F)c1 2313571358 UJXWKPIWETWWDU-UHFFFAOYSA-N 564.238 7.418 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1csc(I)c1 2313742544 GMBGRVPQPYIXPT-VIFPVBQESA-N 544.836 7.045 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592377 SBJBAZXDWXOQCR-MUUNZHRXSA-N 541.673 6.282 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593364 LVKQUEITSRYJDS-DEOSSOPVSA-N 536.484 6.353 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2314646917 UPFMOABEDYOACQ-SANMLTNESA-N 625.106 5.118 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1cc(Br)c(OCC)c(OC)c1 2314760292 JOFQPYSLCMOKOE-UHFFFAOYSA-N 595.446 5.690 50 10 KKGE FC1(F)C[C@]1(CBr)COc1c(Br)cc(Br)cc1Br 2326816598 ZVOOLZGZLOPIFU-JTQLQIEISA-N 513.796 5.773 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)OCCc2ccccc2)c1C 2329687336 TWFRSVWHCHPFSX-UHFFFAOYSA-N 523.010 5.832 50 10 KKGE COc1ccc(CCN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5)cs4)cc3C2=O)cc1 2331300939 BUXHBDQLDIDTIW-UHFFFAOYSA-N 507.571 5.607 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc(Br)c2)cs1 2331432015 KQOYKPSSWFSNNS-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358265082 JUKHMESUGPRDKU-OJDINAINSA-N 558.280 7.308 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2c(s1)CCCCC2 2361193508 AIKLMUWRYXHCEY-QHCPKHFHSA-N 506.303 7.843 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362220408 JTLVVYYJFIFYKB-LLVKDONJSA-N 554.248 7.390 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(Cl)c1Cl 2364069071 GYPYVPYMMLLHFC-ZETCQYMHSA-N 507.835 5.745 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Cl)cc1I 2365597827 KSJDGHZJQOWRAC-CYBMUJFWSA-N 550.843 6.853 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2c(Br)sc(Br)c2Br)c1 2366794637 KYVBAQNGIWSJDQ-VIFPVBQESA-N 586.796 8.411 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C 14648289 QFINMCYMYYHZFO-UHFFFAOYSA-N 518.452 5.205 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c(Br)c1 14832351 YKEAKKNAMCYBFX-SFHVURJKSA-N 511.416 5.382 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38683772 PXTASANXEZPFQP-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 38686260 VFSJYGBFMIGSJT-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)ccc1OC(=O)c1cccnc1 50862498 BOWQGLCXQGPQEW-WCMJOSRZSA-N 537.601 5.242 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 58894732 AIMWGLWFVBCVIK-UHRFABFRSA-N 504.030 6.014 50 10 KKGE COc1ccc(CC[N+](C)(CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)CCSS(C)(=O)=O)cc1OC 72132777 WUWCBXBAYBCKCW-TZYYSAMKSA-N 593.832 5.301 50 10 KKGE in-vitro COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(F)cc2)C(=O)CCl)ccc1OC(C)C 97914783 NBSYHXOLCIORFV-RDMIVRQXSA-N 519.057 5.625 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 100154421 RNOMBMGSWBCLKG-UHFFFAOYSA-N 546.693 5.546 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 100156671 VOAVUPCQZDWTQP-INIZCTEOSA-N 562.258 5.181 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 100234360 GKJSRHAATQTOMZ-OFWBMQHPSA-N 578.112 7.827 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100235890 KFZFLMRNAWYDEI-AUIFSDOCSA-N 595.490 5.848 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 100554089 LYUFHAGBVBUQDB-OPEKNORGSA-N 535.167 5.073 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H]2Br 100935512 MHTZHBJPORZCCX-RLCCDNCMSA-N 593.925 6.526 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C)c(C)c3)C2=O)cc1 101246820 OXZKDATXDIXDEH-DTDIEQIPSA-N 539.701 6.720 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101314669 QJQOALBXOWOWKH-AREMUKBSSA-N 557.400 6.506 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341035 SEQZLAZRLYDDGF-PCLIKHOPSA-N 573.049 5.527 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1 101367366 XMPWAFPPDISYTA-WJOKGBTCSA-N 594.620 5.737 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1 101377746 CHVMANRLYONNFA-HKBQPEDESA-N 526.633 6.547 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc(OC)c1OC 101393466 MOUYECPFKZPXBZ-SANMLTNESA-N 526.545 5.513 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 101393610 LDZPKTRQCGPWET-DEOSSOPVSA-N 565.807 6.603 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399348 JRBOPYCAKDLJJN-YTTGMZPUSA-N 621.089 8.036 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(-c6ccc(C#N)cc6)cc5)c(C)c43)coc2c1C 101619810 BIRHFYWHZNFRRZ-SMTCOIIISA-N 571.633 7.108 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 102972402 BYDRTCBRSXXQBR-SSZFMOIBSA-N 554.024 6.951 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)cc2)cc1 103563196 XKIDITMYDNDQCP-HNSNBQBZSA-N 602.485 5.990 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc2ccccc12 103796243 CLVAFHCVAZVJRM-ALQBTCKLSA-N 583.482 7.819 50 10 KKGE O=C(N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 103800017 AVJVPROWJLZHME-AREMUKBSSA-N 527.448 5.505 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC 150497264 NLXAKOADUWFGRF-PPOKSSTKSA-N 685.180 7.624 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1nc(Br)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1 169979402 NZRLUTATVXOCLO-UHFFFAOYSA-N 533.586 8.008 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205648138 POMYJXGLCZYNRL-KFBHMYJPSA-N 506.602 6.386 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205658351 NHKQQIRYKNAFQB-LKJKQBFKSA-N 594.752 8.179 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214303633 JPZDUCZVQWMNAN-IMRQLAEWSA-N 524.621 5.345 50 10 KKGE CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1c(C[C@@H](Br)CBr)cc2c(C)cc(=O)oc2c1C 229919548 UZXYTNAFPQAFFR-LZBHBKQYSA-N 657.421 5.718 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254579292 QBAWFVAYQIPLRB-UHFFFAOYSA-N 501.627 5.766 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1Cl 254699118 ISJALEUWRUMITD-UHFFFAOYSA-N 724.425 7.138 50 10 KKGE CCc1ccc2c(Cl)c(C(=O)NN=Cc3ccc(OC)c(CSc4nc(C)cc(C(F)F)n4)c3)sc2c1 254812828 AXTWRUNMJALUPE-UHFFFAOYSA-N 561.079 7.218 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 254823452 SFYQQTMPUDCZLJ-RXAXIAMUSA-N 625.125 6.335 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O 575416029 OIGMHIMRSGHQEE-AUFWRHALSA-N 926.263 6.456 50 10 KKGE C=CCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@@H]1OCc1ccc(OC)cc1 575448985 BYYSROQZXICJTR-LVZHEHNUSA-N 698.929 6.039 50 10 KKGE N#Cc1ccccc1C=NNC(=O)COc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 606444496 RHHQFFKIQPQPPA-UHFFFAOYSA-N 516.988 6.623 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 725411388 GYWIQIFHGYQMMG-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 725426461 QEGMNYLHWCJVTC-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1083911199 OERVWQITSRBUPG-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1083914336 ABPJTMGZXIZPPO-UHFFFAOYSA-N 589.070 5.090 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccc(Cl)cc2)c1C 1084038208 BOHISGAONPPSPS-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084210702 QQUPDZMLPAEFLJ-UHFFFAOYSA-N 639.344 6.684 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc2ccccc12 1084256015 IESKSEQYLKODGE-UHFFFAOYSA-N 543.417 7.090 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1084298922 CQTUETYZLJXCRH-ZXVVBBHZSA-N 552.631 5.557 50 10 KKGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1[N+](=O)[O-] 1565517542 MQSDGXGGPZWUKS-UHFFFAOYSA-N 507.591 5.037 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12 1613964070 UOPXKJKCNAPMAR-WDDMSTOQSA-N 534.656 7.009 50 10 KKGE CCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772748901 PAGFLUDEFKEPSE-UHFFFAOYSA-N 505.618 6.391 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689496 ATTSGSHDDCZJIM-PMERELPUSA-N 556.622 6.354 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865691334 PSIKOXGJQXKGMS-HSZRJFAPSA-N 544.549 6.275 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865693883 MKTTVUDOVWYLBO-IBGZPJMESA-N 506.887 5.750 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865693962 NEXIWZYQXHSVAW-XMMPIXPASA-N 517.416 6.853 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865695212 MXLWQXVKVHYMQU-AREMUKBSSA-N 502.615 5.629 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695823 UMZJLMFPJLIKPL-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698553 XFVPWDLDSPYMKV-OAQYLSRUSA-N 539.430 5.355 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699073 KEQWIHXTNMQDFP-OAQYLSRUSA-N 523.445 6.502 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707991 LDNXLLQELYJZPW-NDEPHWFRSA-N 530.584 5.936 50 10 KKGE CC(C)C[C@@H](C(=O)N(CCCl)CCCl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1866311474 AFBYIFKLUSXZLW-VIFPVBQESA-N 523.071 5.617 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccccn2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866687507 GBMRNLSUIQCCLQ-LOYHVIPDSA-N 564.667 5.273 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748017 DFBCLTOWNTVUGT-LNVKXUELSA-N 501.926 6.353 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 1873921108 VNKBTDXPFNMFET-HFBCPUAESA-N 521.620 5.038 50 10 KKGE CN1C(=O)[C@H](NC(=O)Nc2ccc(S(F)(F)(F)(F)F)cc2)N=C(c2ccccc2F)c2ccccc21 1887621363 QLEBOUCHGPQESV-NRFANRHFSA-N 528.478 6.445 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1sc(Br)cc1Br 1922947228 ZWPZNMVYHICINC-JTQLQIEISA-N 571.297 6.968 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2CCC23CCC3)c1Br 2047940232 TXTAXNZVVJVJPA-SFYZADRCSA-N 521.938 7.442 50 10 KKGE COc1cccc(NC(SCC(=O)NN(c2ccccc2)c2ccccc2)=C(C#N)c2nc3ccccc3s2)c1 2053622774 OHWPVLPFOKWQJW-UHFFFAOYSA-N 563.708 7.212 50 10 KKGE N#CC(=Cc1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C#N)=Cc3ccccc3)cc2)cc1 2053624447 KLGODQMLEBFPKB-UHFFFAOYSA-N 508.581 6.369 50 10 KKGE CCO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2054498090 OUJHUOJTDCPQBZ-LKEWCRSYSA-N 525.926 6.677 50 10 KKGE Cc1ccc(S(=O)(=O)N=C2c3ccccc3C(=NS(=O)(=O)c3ccc(C)cc3)[C@H](Br)[C@H]2Br)cc1 2055393221 FLELJGYJBJTRIZ-FGZHOGPDSA-N 624.376 5.200 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2csc(I)c2)cc1Br 2082376407 HJARIMCZHVEPCC-GFCCVEGCSA-N 522.427 6.262 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)cccc2Br)c(F)cc1Br 2094091847 YPBABZXSBGJBEH-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111648593 VVIYURCJYFBLHK-KWQFWETISA-N 501.456 7.578 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(I)cc2)c1Br 2136372060 RMNMDBAEJVOCPN-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)n(C)n2)c1Br 2136374386 LKNNKYJPOFYIAK-ZDUSSCGKSA-N 515.869 5.809 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 2138244972 ZIWYKBTWFBSPCZ-JTQLQIEISA-N 554.323 7.182 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3ccccc3I)cc(Br)c2O1 2146628534 OLPBTLKFNZLRCT-BJOHPYRUSA-N 507.991 5.861 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2206396584 YPLXCIJALQHVIO-FICLDZOFSA-N 552.326 6.974 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Cl)c1cc(Br)ccc1I 2218804710 DBFXACTYWNBTNX-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2ccc(Br)cc2Cl)c1Br 2229146749 BOOGVWUOLXKNLC-SECBINFHSA-N 552.351 7.676 50 10 KKGE COCC1(COC)C[C@H](Cl)[C@H](c2sc(Br)c(Br)c2Br)C1 2238396164 WWPLGANBAWFAHA-SFYZADRCSA-N 511.501 5.800 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1Cl 2288496547 IIZXKROYROWAMD-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccccc2)N(c2ccc(Br)cc2)C1=O 2293198396 GTPDLWWXOGGFQZ-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE O=C(NN=Cc1ccc(-c2cccc(Cl)c2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483017 ROICCDQUJOMAEI-UHFFFAOYSA-N 513.937 5.250 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 2296705978 GFXPVGOKYMZPFW-DEOSSOPVSA-N 559.069 7.556 50 10 KKGE N#CC(=CNc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296790092 OAUMGOHWNCWGIP-UHFFFAOYSA-N 513.304 5.703 50 10 KKGE COC(=O)c1cc(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc(C(=O)OC)c1 2296790117 PMTYEEYNOARMKY-UHFFFAOYSA-N 537.553 5.619 50 10 KKGE COc1ccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(=NNC(=O)c3ccccc3O)C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 2297710608 XZIIAFVBBJPEML-WQDCPGLISA-N 636.701 5.144 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591823 FPOMHUXSBDLUDS-RUZDIDTESA-N 562.489 6.085 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591859 GHRPLILJUHNLNU-MHZLTWQESA-N 511.647 6.076 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591933 HZOIOBYFRBYANJ-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593826 UGEMBKWLQYEQDU-LYZGTLIUSA-N 525.674 6.122 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314617256 UVVBDJWCBXDUIX-UHFFFAOYSA-N 570.693 6.799 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314618332 LOCCJQZVSNNREU-HHHXNRCGSA-N 584.720 7.626 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 2314634113 NNOHBFRBLJPFOI-RUZDIDTESA-N 503.352 5.295 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 2314634796 LVJGGXXCQSRALC-YTTGMZPUSA-N 552.671 6.864 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 2314643158 FLCDFPOJPBFWHE-YTTGMZPUSA-N 532.571 6.550 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 2314646952 WJACDBCMCPWUEQ-MUUNZHRXSA-N 650.732 5.774 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 2314737187 QGFGZLFHKJDEHQ-UHFFFAOYSA-N 532.596 5.878 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1sc(Cl)cc1I 2316599672 UVPWRDNUGLHVMC-SNVBAGLBSA-N 528.381 6.531 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240267 PIFMORRVRBQMQW-UHFFFAOYSA-N 514.563 5.466 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(C)c1C 2331468193 JANOHLCZBUYHLM-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc2c(s1)CCSC2 2336052147 YJPNDOQEYAGPMW-NRFANRHFSA-N 510.316 7.363 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2349842013 VXFWZUOVLQCQRY-NWDGAFQWSA-N 511.945 5.950 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@H](Br)c2sc(Cl)cc2I)c1 2363959334 RBUCVNDXFJQWQK-JTQLQIEISA-N 515.947 7.163 50 10 KKGE Cc1cccc([C@@H](CI)OCc2cc(I)ccc2Br)c1 2367612249 VUKDYPCZXWHMNB-MRXNPFEDSA-N 557.007 6.055 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1OCC 6167575 MBNIAXQZWUCZFC-PPIGDQRPSA-N 635.783 6.407 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655186 CUXNJGQFUOXIQX-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59159005 PVYUARWHBPMEPD-TVKQRKNISA-N 500.023 5.794 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 59281519 MRQOAEGBIRFZDH-HKWRFOASSA-N 500.396 6.396 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100452349 DTYUOXWPXIIATD-POBUXNOSSA-N 551.437 5.449 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243828 KNSDZINBJQCOPW-VDDKWWLYSA-N 511.647 5.697 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC 101339357 WKKUURHJSJTSRC-MFKUBSTISA-N 573.045 5.780 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101373687 TYUKANAAOYQZFG-WRHNGFHOSA-N 532.568 5.604 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 101378019 DRHZUZRFFSCUDP-JGCGQSQUSA-N 540.660 6.855 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101378208 MIGKWFGZGLCIMT-NDEPHWFRSA-N 563.448 6.221 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399396 IJYUQJWOWDCCLL-IOWSJCHKSA-N 580.568 5.377 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCCc3ccccc3)c(OC)c2)c(Br)c1 101766996 RNMSLEZBAXLLIS-TWKHWXDSSA-N 539.470 5.951 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 102006591 AOEJMAGVFJRSKX-XIOXGIFKSA-N 530.657 6.161 50 10 KKGE CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 103649467 ONEQXXDSNCFRFJ-JLPGSUDCSA-N 522.114 7.981 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 103877647 TUZWMTRIWIFJGD-FNTLCPBMSA-N 614.543 8.711 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 103877936 YLQZLHLAQQICHI-FNTLCPBMSA-N 618.575 8.595 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103887029 QPTQHQDUPGFXPE-CXUHLZMHSA-N 600.325 5.763 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 105020706 BBQWRFAEOLJKKZ-LZBRRTOVSA-N 606.402 6.038 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 128859364 QTXXYXLDJQYCJZ-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150461154 WIWHMTYJAUIVOS-JGCGQSQUSA-N 651.513 7.837 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)cc2)sc2c1CCCC2 150485659 ZMAPOLRBIYYGIT-QRNONWLTSA-N 639.774 6.861 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 150627284 NZEBUJYTGQFTMY-FNBPXTNNSA-N 617.750 6.930 50 10 KKGE Brc1cccc2c([C@H](Br)c3csc(I)c3)csc12 163393845 JCGPQWCBMJCDRQ-GFCCVEGCSA-N 514.045 6.814 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 164218530 CAGOOIJVCUBDFY-CNCOLSNHSA-N 696.001 6.564 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 197698885 BXIYLAFENDCJCL-CAOOACKPSA-N 534.193 7.316 50 10 KKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395880 YJENEVKHQPNJLH-RQAATEJQSA-N 526.589 5.335 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 254295906 SXMTURJLCQIIGP-UHFFFAOYSA-N 514.582 5.118 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 254351744 VCZTWXNAYBPWAJ-UHFFFAOYSA-N 501.594 5.155 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 254588525 AOOJNSVSAYAZQM-UHFFFAOYSA-N 595.781 6.971 50 10 KKGE CCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254714381 ISQAWMZXNKWXSU-UHFFFAOYSA-N 522.557 5.678 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254819767 QQSXBDONFKLNKT-UHFFFAOYSA-N 604.638 6.298 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 254840705 MNULIPDSQJTVDJ-UHFFFAOYSA-N 543.491 7.667 50 10 KKGE COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1CSc1nc(C(F)F)cc(C)c1C#N 254855172 UMYTYIAJINQVBL-UHFFFAOYSA-N 500.958 5.918 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2OCC)cc1 254873043 HEQBNTLPPKEBKB-UHFFFAOYSA-N 554.599 5.637 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 310198977 AMMBUBKJUXVMOA-NSHDSACASA-N 503.879 6.828 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)ccc2Cl)c1Br 312792046 HJNQDFDAJQKYBW-VIFPVBQESA-N 513.398 7.430 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2I)c(Cl)c(Cl)c1Cl 405107950 YDMHXIWPTOHLHV-SNVBAGLBSA-N 589.707 8.152 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1 616676490 WMXXKYYWZGWLRC-HHHXNRCGSA-N 525.926 8.615 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)s1 710901873 LQMAJRVHSICOQM-LBPRGKRZSA-N 519.999 5.885 50 10 KKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 721573902 UCMPPKJWWXZHRI-BONVTDFDSA-N 515.027 5.127 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@H]2OC(=O)C(=C)C2(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725238205 MBCRGJKIPSDITL-PAADVJHXSA-N 683.179 11.720 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccccc1 1083904684 BNTFSBFCQCKESP-UHFFFAOYSA-N 537.641 5.656 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083924648 YWDPTKOMUMVUHV-UHFFFAOYSA-N 569.624 6.706 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1083938310 XAFWMZBETFJTGY-UHFFFAOYSA-N 557.672 5.237 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)ccc1OCc1ccc(Cl)cc1Cl 1083960147 FXEVTMOGKKIJHT-UHFFFAOYSA-N 674.479 5.584 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 1083967955 BUSFZMNGLJIYTE-UHFFFAOYSA-N 578.536 5.846 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084119856 HTAJTXGJQXRNHT-UHFFFAOYSA-N 504.362 5.160 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1084322281 ABNDQWXYILJFIN-UHFFFAOYSA-N 682.759 7.137 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2cccc(Br)c2)cc1)S(=O)(=O)c1ccccc1 1084411888 HISMSKUSDCMCID-UHFFFAOYSA-N 596.934 6.570 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1084500076 YAUGGNMNKCEREP-FRSFCCSCSA-N 611.661 5.137 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 1554498756 KCZRDQUBWKLNKP-IBILOSLJSA-N 554.650 6.525 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CI)C1 1614631195 VCVZQDRDNVBQML-YOEHRIQHSA-N 500.720 5.035 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772720016 CQQXUHIMCMCUOU-UHFFFAOYSA-N 596.080 5.416 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccc3)CCC4)ccc21 1772745390 ZUKIEPGQEFXLDH-UHFFFAOYSA-N 504.590 6.439 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746670 ZETPNKOWWVPJEL-UHFFFAOYSA-N 512.997 6.195 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750915 CIYBWZUOIGCMCS-UHFFFAOYSA-N 502.958 5.521 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751317 NLIHCUHXPJKDEO-QGZVFWFLSA-N 510.569 5.727 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865685136 DLWVHZIBPLKOLB-OAQYLSRUSA-N 528.226 7.371 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687051 IGDHVTXBRBMIRC-NDEPHWFRSA-N 506.606 5.690 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865688976 GMEZQVMELWFUTI-DEOSSOPVSA-N 513.425 5.960 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865689572 SVBKMPZLYXUQBC-HHHXNRCGSA-N 547.442 6.352 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865691494 UFDWXNGTHOFTKN-AREMUKBSSA-N 579.539 6.832 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692141 BIAPUQIBUHVDPE-PMERELPUSA-N 518.661 6.606 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865696414 GJMIYEJLEUDWLC-HSZRJFAPSA-N 577.866 6.581 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c2ccccc21 1865698682 AGAVQEWAYWHFQC-GOSISDBHSA-N 514.305 5.363 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701550 YBLOZOYPJPTCHB-GOSISDBHSA-N 568.628 5.481 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701565 YGTYLCXEJXHILY-HXUWFJFHSA-N 518.923 5.771 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865706972 KGNVAHQWWSMKAU-AREMUKBSSA-N 543.593 6.503 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712411 XUBKAAMSRHAOQA-LJAQVGFWSA-N 526.596 6.345 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 1865714403 JOQQUZWOSMKJFF-QFIPXVFZSA-N 552.259 6.886 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](C)c2ccc(Cl)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866716791 UNXSVLIOOYLTEN-DWXRJYCRSA-N 536.053 5.698 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866740000 YGUHMOLFYUAOIK-RRPNLBNLSA-N 501.652 5.770 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1 1868342759 ZDLCGTSPEFBPQQ-GDLZYMKVSA-N 521.690 7.252 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)CC2 1868455773 BNSCVVUDXYVONN-JGCGQSQUSA-N 559.670 7.760 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)n2)cc1 1868544437 FQKPSXHIQXETJD-HHHXNRCGSA-N 549.748 7.701 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4c(Cl)cccc4Cl)c3)nc2c1 1872728549 IKWKLJYLZAOHDJ-LICLKQGHSA-N 506.345 6.072 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1C(C)C 1872753980 XAQIATPCOYHHEU-QLYXXIJNSA-N 520.611 5.945 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c1C 1872754052 AAOFQVUUEGNJPL-PNHLSOANSA-N 511.647 6.922 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1872754239 JPYGMPQQSSWSCB-JZJYNLBNSA-N 514.390 6.080 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 1872755384 KZPSFFQOGOADSD-MKNVGELUSA-N 503.624 6.016 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1Cl 1872756361 IRYDDEFIEYMEBY-UZYVYHOESA-N 519.450 7.403 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 1872759674 WESPEYDZTLHSPE-MNDPQUGUSA-N 521.422 6.795 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccc(Br)o2)c1 1899894003 SOJFDIUZIHZSGN-SFHVURJKSA-N 501.012 6.868 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)ccc1Br 1915259902 QZBGGFYKCNAQHG-SFHVURJKSA-N 507.188 6.530 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915298375 SGFGAIDSPKJBIL-SFHVURJKSA-N 520.636 6.007 50 10 KKGE O=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)C1(CBr)CCC1 1915750942 MUQTXOTVCWJLKA-UHFFFAOYSA-N 513.704 5.673 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1I 1923065961 JUJSIOBXMVYETP-QMMMGPOBSA-N 585.324 7.324 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595020 SNLPEDKTBNZDNW-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE FC(F)Oc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924602180 TYTCKYYNKPSUJN-SECBINFHSA-N 511.407 6.965 50 10 KKGE Cc1csc(CBr)c1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 1984643376 AMIBGKALGGKEJC-UHFFFAOYSA-N 507.519 5.274 50 10 KKGE CO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2006342408 XMWVXVFPJKXFFX-ATRFCDNQSA-N 511.899 6.287 50 10 KKGE CC[C@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2034340161 VMFHFCVKRQLDBX-ZETCQYMHSA-N 502.830 5.401 50 10 KKGE Clc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1Br 2083334313 MNNPEZBVFLKGKC-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE C[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085492166 HBICUUSQPOBYIB-SREIQFSDSA-N 526.332 7.699 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2085495287 PLGFSXJMLYRJJK-LBPRGKRZSA-N 568.767 7.753 50 10 KKGE CC(C)(C)CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496697 XTAYAMPVFKGADG-ZETCQYMHSA-N 570.783 7.999 50 10 KKGE Brc1cccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2094669438 QGHUPODIJYGITD-CYBMUJFWSA-N 529.917 7.397 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)cnn2C)c1Br 2136366952 MMVBRMPDKARTHW-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@@H]2CCCO[C@H]21 2141468593 LOAOIQRVFYRWBR-DEEKJVFFSA-N 538.299 6.442 50 10 KKGE CC(C)C(C(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477552 RSYDAGOVVAJOEG-AWEZNQCLSA-N 540.359 7.945 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146628747 PEDMGGOPADKNOJ-PWCHPLFNSA-N 545.916 6.843 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2207095519 GBOURUMEIOMMNI-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Clc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)cc1I 2283579167 BBHWOADIODVOIK-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccc(C)c(C)c1 2293601541 OINOBYZXKZKQHY-UHFFFAOYSA-N 552.465 7.004 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296506875 JKUSIKXGHYEEBT-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE CCOc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296724110 SLYNQRQNJXJYEF-UHFFFAOYSA-N 521.982 5.186 50 10 KKGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)NN=CC=Cc1ccccc1 2297507016 WMOULVFVKZVDDF-UHFFFAOYSA-N 518.440 5.604 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314452268 LHTHRZGGIOSCOQ-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591906 HJRBPGKIOJMYEU-VWLOTQADSA-N 536.484 6.984 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592666 ZVPOGLDVDJDJNU-HHHXNRCGSA-N 511.647 6.192 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593771 SLAPVHXWSJZIDL-VWLOTQADSA-N 518.038 5.481 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314611244 RKWORTSNIJMBSG-UHFFFAOYSA-N 542.639 6.427 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314618131 HSNQLSMDOVXMON-HSZRJFAPSA-N 500.639 6.788 50 10 KKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 2328826131 DIBGREOCBRWKHL-DEOSSOPVSA-N 507.656 5.515 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 2331273798 UBIBZOBXCICUHU-UHFFFAOYSA-N 507.571 5.607 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 2331402133 SBHHUFMYHUXZRN-CQSZACIVSA-N 500.001 5.547 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331403829 METGXXHJUZEZOQ-IZHWHUGBSA-N 501.608 5.939 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccccc1 2331488783 YMJAPDQFFFXYMZ-UHFFFAOYSA-N 507.442 8.159 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1c(Br)c(Br)nn1C 2338867500 ORLJNWRJNAQJEW-HZGVNTEJSA-N 516.857 5.342 50 10 KKGE FC(F)(F)c1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361202005 XVBRGMFGCNEQKS-HXUWFJFHSA-N 500.152 7.531 50 10 KKGE Cc1c([C@H](Br)c2ccc(Br)c(C)c2Br)ccc(Cl)c1Cl 2364440970 ORQUAYKIEVJLAP-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38682191 OXTZBOBFPNBXMY-DEOSSOPVSA-N 513.402 5.918 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 38684079 VQGMMIRQQLUMML-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc(C)c1C 39884973 OFAIFAWDXLETNM-WOJGMQOQSA-N 505.983 6.549 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 58893433 JMWPJWHVVVHBPU-PEHSQKLVSA-N 504.656 5.269 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)ccc1OC(C)C 97914676 MQKPYAGOJJQADN-AREMUKBSSA-N 505.030 5.379 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100180989 UURARRKCYGDWMP-UHFFFAOYSA-N 538.442 5.510 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182104 GQNQXYWOONNDPF-KRWDZBQOSA-N 550.519 5.102 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1 100360557 BUQKMTVTGICNPA-RGVLZGJSSA-N 565.367 5.305 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241383 RMWNRTSSSGZGIQ-UZEPBSNMSA-N 535.591 6.065 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101337532 RBQHTISZNITYNU-ADIMLFFHSA-N 502.549 6.032 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369465 BPNRCDDDKFAZLW-GHRAFVERSA-N 546.623 7.193 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101374659 FJUTYQRBOZZFJT-GDLZYMKVSA-N 611.522 7.797 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCCC(C)C 101375148 KVWMBCPCXHEAHS-JGCGQSQUSA-N 556.659 6.275 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)c1 101376313 NWXYUXPQOBBQCO-MUUNZHRXSA-N 529.549 5.366 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 101376646 JMPZUHUOQZQCMQ-IBGZPJMESA-N 614.696 7.555 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 101377657 KSSAFROVUNZZCE-NDEPHWFRSA-N 517.025 7.127 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc(OC)c1OC 101380311 PQSVJCWOVXHPCT-PMERELPUSA-N 582.584 5.868 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380673 RIANGRRLPQMCGQ-HKBQPEDESA-N 552.558 5.616 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101383078 QKMBWHJBILRPPY-PGUFJCEWSA-N 599.086 7.875 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387004 IBRPRYWODKLLRA-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101387394 MLBULXZMYSRFPD-HKBQPEDESA-N 587.003 6.269 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101392020 SNUIRWFWWRWPFX-NRFANRHFSA-N 527.816 7.299 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 101761660 QJFWLAJRZLBDKH-DEDYPNTBSA-N 601.881 6.309 50 10 KKGE CCN(CC)c1ccc([C@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 104844481 VTXRFBOAMCQPRE-ONLUTYIHSA-N 617.237 5.571 50 10 KKGE Oc1ccc(CCl)cc1/C=N\c1ccc(Oc2ccc(/N=C/c3cc(CCl)ccc3O)cc2)cc1 106873579 XOEXMTKCSBCLDM-XEUGNBHESA-N 505.401 7.869 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430348 ODTJHPFAGPIYNT-HKBQPEDESA-N 665.957 8.461 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 150461586 FUIIWAHGHYKHRI-DEOSSOPVSA-N 694.757 8.874 50 10 KKGE BrC[C@H](COc1c(I)cc(I)cc1I)c1ccccc1 155948635 IVCMRSCYODBIGX-LLVKDONJSA-N 668.876 6.058 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C/NNC(=O)c3ccc(COc4cccc5cccnc45)cc3)c3ccccc3C2=O)c1 158644769 OOPBFUORLPHXSL-AWSUPERCSA-N 675.767 5.307 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 198742592 PLRHMUICZGWEQZ-UXHLAJHPSA-N 548.020 5.432 50 10 KKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 207116600 QAQYHEIKQCCPPV-SRIOMBLHSA-N 510.590 5.716 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 214399823 ZAFXOKTVMGRSAE-YQYKVWLJSA-N 586.692 6.480 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1csc2c(Br)cccc12 236031119 NUKXNWPWPDEYSO-NSHDSACASA-N 501.490 7.579 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 245189579 UHCDRCBBCZLXBO-GJPUVAPCSA-N 641.186 12.671 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@@H]3CC[C@]12C 251422097 QAKZCDKFOJOVRK-BKFLIACYSA-N 568.624 8.763 50 10 KKGE biogenic COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2Cl)cc1OC 252587677 ZTUQICPTLSMTBK-WTSFKKHRSA-N 521.485 5.403 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 252629909 UQCKKXIZXBLERT-UHFFFAOYSA-N 564.063 5.273 50 10 KKGE COc1ccc(OC)c(-c2cc(C(=O)NN=Cc3ccc(OC)c(COc4ccccc4C(N)=O)c3)c3ccccc3n2)c1 254576843 FBGFHWLTYSIXES-UHFFFAOYSA-N 590.636 5.369 50 10 KKGE CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](OC(=O)c6cc([N+](=O)[O-])cc([N+](=O)[O-])c6)CC[C@]5(C)[C@@H]3CC[C@]12C)[C@@H]1C(=O)OC(=O)[C@@H]14 254758253 GUHFPOVODRBWFL-YHTBBTJKSA-N 688.818 8.018 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)cc2)cc1 254794743 KCWYVKPHEMUJHM-UHFFFAOYSA-N 504.565 6.330 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(Oc4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(Oc2ccccc2)cc1 254875651 BVAJYSQKXPPHMR-HKBQPEDESA-N 566.642 5.446 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Cl)ccc2I)c1Br 312803928 JFNPONLHYWNNOC-VIFPVBQESA-N 560.398 7.272 50 10 KKGE COc1ccc(CO[C@H]2[C@@H](OC)O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@@H]2OCc2ccccc2)cc1 575449023 GTDUTIKSKCRUOQ-MANRWTMFSA-N 642.865 5.475 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)OCCOCCOc2ccc(P(c4ccccc4)c4ccccc4)cc2OCCOCCO3)cc1 642814394 YDLJXVSEOABRGQ-UHFFFAOYSA-N 728.762 6.465 50 10 KKGE Fc1cccc(Cl)c1C[C@@H](Br)c1ccc(I)c(Br)c1 721573769 RZMWSDWTUQBZLL-SNVBAGLBSA-N 518.389 6.525 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(O)(Cc2ccccc2)CC1 725237602 KVIBSWFGKDZOGB-DEOSSOPVSA-N 551.030 5.676 50 10 KKGE O=C(N[C@@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725237992 BMNMOAFMSDJGMF-HYBUGGRVSA-N 580.028 5.607 50 10 KKGE CN(C[C@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)C(=O)OCc1ccccc1 725238917 TVUKNKXEEKJCLZ-RLWLMLJZSA-N 608.082 6.197 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1C(F)(F)F 725387685 HWQGQDOQLUWWFY-UHFFFAOYSA-N 530.856 5.874 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1 1084004775 RIOZVVLZHNPZEX-UHFFFAOYSA-N 619.253 6.542 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084113121 DITZSLRLNDZRBW-QFIPXVFZSA-N 662.149 6.903 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1Br 1084131216 DGADPYXFHUKUFF-UHFFFAOYSA-N 612.072 6.225 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084160642 BBJCUXSQDOMNDQ-WOJBJXKFSA-N 586.655 5.194 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1C 1084251857 FBZMARKBMGVTBA-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1Br 1084450158 CPZVEWOZVGCEIA-UHFFFAOYSA-N 554.875 7.991 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084468703 GZUPSBZHMPBKFP-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1 1084539302 IQHMHQRBVDLOIZ-RUZDIDTESA-N 620.459 5.771 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865690158 KFHAOAPTZKTLDU-FQEVSTJZSA-N 547.375 6.441 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865690955 FVOCPBXGVCHOBK-QFIPXVFZSA-N 546.977 6.730 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865694336 TXPWGIJWSRYYNH-NDEPHWFRSA-N 524.596 5.829 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697323 ZPKBGHQZBKZFDG-SFHVURJKSA-N 536.213 5.436 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Br)c1OC(C)C 1865697725 AFCACPLOYPUFBM-LJQANCHMSA-N 563.374 5.727 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865703250 RJRRPWVODMWPBR-AREMUKBSSA-N 527.024 6.419 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865705465 WLLJTMATDJXRRY-NDEPHWFRSA-N 575.024 6.639 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715189 YTBPOBMNJSHEAH-QHCPKHFHSA-N 529.940 5.092 50 10 KKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1I 1866128866 PZTHMTKDTWMAEM-YRNVUSSQSA-N 531.973 5.362 50 10 KKGE CC[C@H](CC(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867130739 WCLVKJRMSWYGCQ-OAHLLOKOSA-N 504.450 5.448 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868415303 XLKMLKFCNMFKLJ-UHFFFAOYSA-N 557.079 7.481 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)c1 1872744377 OXPTYBAVWPUAHW-ATJXCDBQSA-N 516.044 5.597 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 1872745537 RPOBDDVCVVUJMQ-IHSREPSTSA-N 503.624 6.016 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872752280 VAIUZFLKKUFALU-BAXYNCARSA-N 513.062 8.672 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1 1873921054 RSTZZJKWUOOQLE-LVWGJNHUSA-N 509.543 5.578 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)s1 1900924655 OBFJFFSZJGFLJE-KRWDZBQOSA-N 519.629 7.069 50 10 KKGE O=S(=O)(c1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915172641 PAMRYQHFTSTMSV-KRWDZBQOSA-N 507.675 5.467 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 1924584502 YOKOQVCFJZMIPW-XZMZPDFPSA-N 507.911 6.908 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924594192 LIDZZRJMNHXQKD-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Cc1ccc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1925500389 MKMSLFFDFXVDJI-SECBINFHSA-N 538.324 7.482 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sncc2Br)cc1Br 1941499608 ZIDDEHSCTDQHIY-JTQLQIEISA-N 504.867 6.223 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(I)c1 2023697882 KPPHPYCBJJJRNZ-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CC2 2025779604 JQUVDXFZKLUEPT-GCXOYZPQSA-N 508.273 6.817 50 10 KKGE BrCc1cccc(Br)c1OCc1cccc(Br)c1Br 2092331656 WNHPMZHWRXPLLZ-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE CCOc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1Br 2093942690 YHMAPPAUNINPIW-LLVKDONJSA-N 533.905 6.919 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2137642207 HUYDIYRGZMDSHH-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141471832 WUZLPTWZNRFQFB-NEPJUHHUSA-N 542.287 5.822 50 10 KKGE Cc1cc(CCl)c(Oc2c(I)cc(Cl)cc2I)nc1C 2186288753 GOKPXCOLIFYSIP-UHFFFAOYSA-N 533.962 6.092 50 10 KKGE CC(C)(CC(F)(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395690 PMIBAXWSXHQNEF-JTQLQIEISA-N 566.275 7.995 50 10 KKGE CC(C)(C)OC1CC(C[C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2232948361 ANISINHTZJRYHU-AMDVSUOASA-N 509.529 7.346 50 10 KKGE Cl[C@@H](c1cc(Br)co1)c1c(Br)sc(Br)c1Br 2244209171 OWIPMAAXVZLKHQ-ZETCQYMHSA-N 514.258 6.719 50 10 KKGE Cc1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263511938 ZFUAAHFIMUSTBV-JTQLQIEISA-N 518.894 6.418 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Br 2267751490 ZOOFACIXVZOLJL-MRVPVSSYSA-N 532.281 7.810 50 10 KKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1I 2277956273 NWNHZALFESQCIU-GFCCVEGCSA-N 579.295 7.148 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)s1 2283581413 HJZCEQKSYSFZJD-CYBMUJFWSA-N 550.481 6.789 50 10 KKGE CCN(CC)c1ccc([C@@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 2294347166 PKRIWWFLUPLBBU-GDLZYMKVSA-N 603.210 5.181 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 2295489505 WVNKNUMDXBSTKZ-UHFFFAOYSA-N 518.617 5.253 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)nc2ccccc21 2296546001 GAFYTNCPGCMSRK-UHFFFAOYSA-N 525.587 7.208 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Cl 2299507831 HEJLYCIIRCSJIB-KRWDZBQOSA-N 507.074 7.881 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 2313510889 BQJZKWLAAXRJRF-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313567492 KFLJLNCNFDLRGL-UHFFFAOYSA-N 577.435 5.201 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313567861 MMJZZWBHNUSNDR-UHFFFAOYSA-N 556.287 7.918 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591638 AGIHOSKJWQVLFO-HSZRJFAPSA-N 522.457 6.675 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593859 VBUILSKBJZYMMP-MHZLTWQESA-N 529.662 5.764 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314617260 UYFNLZSBUHWWKI-UHFFFAOYSA-N 520.633 6.109 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 2314643344 UNFDGAZLYJVNBN-JGCGQSQUSA-N 548.570 6.250 50 10 KKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 2314760374 NHCFGWWJZWUNPD-UHFFFAOYSA-N 523.583 6.408 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2cc(Br)cc(Br)c2)CC1 2315462542 HMIJXFNXZXRREP-UHFFFAOYSA-N 542.106 5.893 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sncc1Br 2317423033 MQGGIYRFRXWHTB-SECBINFHSA-N 522.857 6.362 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331320033 DEEPRTRLYZZQDT-UHFFFAOYSA-N 516.579 5.984 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)C(=Cc2ccc(OC(C)C)cc2)c2ccccc2)n1 2331323027 UYXCDVKFZONFSG-UHFFFAOYSA-N 508.643 7.948 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331331056 RKBCQSUZGZMCRY-HNNXBMFYSA-N 509.971 5.089 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1 2331402002 CYNZRQSRHWUNIJ-SECBINFHSA-N 502.242 7.201 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)cc1OC 2331468758 WJYVVZMYMRYWES-UHFFFAOYSA-N 513.457 7.060 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1ccc(Br)cc1Cl 2338690055 BUGGXMFSMKCCGC-QMMMGPOBSA-N 536.287 6.040 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362225386 PYCBHZJFRKHLFF-SNVBAGLBSA-N 554.277 6.467 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)c(Br)nn2C)c1Br 2364068031 BILNDYZTWOMVJY-NSHDSACASA-N 550.314 6.415 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(C)sc2Br)c1Br 2365228103 MKIMUFLMQJWBFP-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365600179 ZDYRDKWRUBOYIT-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)c1 2366406582 GUZCNYREYGMMEJ-ZDUSSCGKSA-N 509.797 7.281 50 10 KKGE Brc1cccc([C@@H](CI)OCc2cc(I)ccc2Br)c1 2367610317 GRQSDEZCNOPJPJ-OAHLLOKOSA-N 621.876 6.509 50 10 KKGE C[C@@H](Br)C[C@H]1CCCCCN1Cc1ccc(I)c(Br)c1 2377327080 OSQRTPAPABAXTH-TZMCWYRMSA-N 515.071 5.972 50 10 KKGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1947687 VCESIXDTACSYOM-UHFFFAOYSA-N 559.417 5.129 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 33707403 BEJDTQFDIKXBNE-PDGQHHTCSA-N 506.484 6.062 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccco1 35521247 LUAVFTLRGJQOKM-UQQQWYQISA-N 500.558 5.935 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 38605521 SLJFNUIUENMNNR-ZVHZXABRSA-N 512.585 5.715 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 38686510 AROCJSTYIKZDFS-LJAQVGFWSA-N 504.542 5.712 50 10 KKGE COc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(Cl)cc23)cc1 39867473 SOESTNISNRSPNL-UHFFFAOYSA-N 512.997 5.829 50 10 KKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 59116652 JDUPQMQOHBTHBK-WQRHYEAKSA-N 508.430 6.930 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1ccccc1Cl 59460711 OATHANXZZMBFEV-GDWJVWIDSA-N 514.075 7.543 50 10 KKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1 97915111 VUYIECAVJCFEGJ-PXJZQJOASA-N 511.106 6.501 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101332573 FGFMDIOAVSCWGZ-UZWMFBFFSA-N 564.645 6.884 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101338502 IQNMVNOOFGHSQJ-BUVRLJJBSA-N 527.422 5.837 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101368938 ROTCNIUIHUZZLO-SANMLTNESA-N 549.421 6.074 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379174 DDSJTSZJKQLOHR-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381366 ZPVNBEWLUYGNDU-JGCGQSQUSA-N 615.513 8.189 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386465 ZIDJUZZQSCTABT-PSXMRANNSA-N 629.112 7.883 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101388578 YCBFCYJHALDTGY-XIFFEERXSA-N 611.094 7.137 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 101397356 KGRTWJIEEGIIGD-LJAQVGFWSA-N 536.628 7.364 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618757 GTJRNESSYIOGHO-ALQBTCKLSA-N 540.929 6.531 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(C(F)(F)F)c5)c(C)c43)coc2c1 101620307 RNOVXCPPKZTCLH-KEIPNQJHSA-N 537.538 6.621 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCc1cccc2ccccc12 101644993 PTVOQQASSRNYRV-KQWNVCNZSA-N 527.602 5.011 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 102221798 XIIMGMACZIDDMZ-UNOMPAQXSA-N 537.834 7.113 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 102933464 SYFADNWJQUFACV-UYRXBGFRSA-N 522.355 5.881 50 10 KKGE C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 102981887 HYSBCHMYDODNHV-SXBRIOAWSA-N 590.727 5.367 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 103738297 RGJPIYAQWPVMPQ-QCKNELIISA-N 538.417 5.332 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 103741695 DULDPRWAVJCCCT-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE CCCCCCCC1CCC(c2ccc(CCC3CCC(c4ccc(N=C=S)cc4)CC3)cc2)CC1 106450587 GBOGSORKZCCKOJ-UHFFFAOYSA-N 501.824 10.962 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 109844415 CWPUVIZYPCCIOU-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Br)sc1Br 109869796 WKZNZKDQQUTGIG-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)c(Br)c1 150353196 UETWWQTWJIIWAK-UHFFFAOYSA-N 732.470 5.487 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OCC)cc1OC 206199562 IHBOJTVBVUAAEH-QJOMJCCJSA-N 532.662 7.105 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Cl)c1cc(Br)c(Br)s1 229518867 DMCUQJZOHXQYRW-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232344554 DRLXVKRZMSIWFC-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE Cc1sc([C@H](Br)c2cc(Cl)ccc2I)cc1Br 235974202 QEFFVDVWWHAALQ-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE CC[C@H](Oc1cccc(Br)c1)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 252623162 OLJIKHZFTMBSOI-DEOSSOPVSA-N 503.400 5.610 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 253575817 VBOXSUSDULQPRN-QNKGDIEWSA-N 577.718 5.056 50 10 KKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254761367 XBJUECKOFRSDDE-VMJRITMLSA-N 527.624 6.703 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C\[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@@H]14 263628545 BPXYDBBZMNFAEY-OKYMPITKSA-N 536.753 6.907 50 10 KKGE CCOC(=O)c1ccc(N=Cc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 263632309 RNHDJVMJXFWPQK-UHFFFAOYSA-N 528.592 7.423 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 575232493 VWNYSLBEKMNLIZ-DNVJHFABSA-N 601.022 7.170 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2Cc3ccccc3N(S(=O)(=O)c3ccccc3)C2)cc1 616669188 MNGJSDSXMOBKIP-AREMUKBSSA-N 507.772 6.786 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1I 721673913 VIVWCGROSLQTSV-SECBINFHSA-N 554.842 6.501 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 725403786 PRZOYWQSPYXMPB-DEOSSOPVSA-N 531.436 5.944 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 725433853 SLENSUBDIRWNEB-MGBGTMOVSA-N 543.667 7.174 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CSCc2ccccc2)cc1 725440814 GXYXGAZDDIXAGI-UHFFFAOYSA-N 501.051 7.116 50 10 KKGE Cc1cc(C=NNC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1083946073 JOOJARQHDZINQG-UHFFFAOYSA-N 554.647 6.114 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084328569 RZJWMYGYUWEJAB-UHFFFAOYSA-N 701.096 6.747 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Br)cc1 1084598496 KOSUVQZMLRFHGQ-XQNSMLJCSA-N 625.361 6.445 50 10 KKGE CC(C)(C)[Si](OCC1=C[C@H](OCOCc2ccccc2)C2=C[C@H](O)O[C@H](CO)[C@H]2[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1307318223 RKLZMEQGFZXALC-LQLYUYJQSA-N 706.908 5.540 50 10 KKGE COC[C@@H]1C[C@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CC[C@H](Br)C4=O)N(C(=O)OC(C)(C)C)C1 1775937617 RNASTNSTOJLQQE-HCOMASKESA-N 628.516 5.136 50 10 KKGE CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848434248 OFDIKJKJPJTORF-LRCSXJBGSA-N 705.251 11.282 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865690932 FJYLZHIDRCGEBH-AREMUKBSSA-N 527.024 6.598 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3cccc(Cl)c3)cc2)cc1 1865694406 XVXXMDYVWRYKSE-XMMPIXPASA-N 550.968 6.709 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697183 OUHHXGLBXSTGMW-SSEXGKCCSA-N 550.659 6.072 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701367 UBQQSUWITGXFSP-MHZLTWQESA-N 529.015 6.474 50 10 KKGE CC(C)(C)c1cc(Br)c(OCCCC(=O)N(CCCl)CCCl)c(Br)c1 1866318103 RNJQRMQHNXNTIR-UHFFFAOYSA-N 518.117 5.974 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2nc(CC(C)C)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866870371 YKDQZXFEJKFXEJ-RUZDIDTESA-N 555.660 5.011 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(-c3ccc(F)cc3)[nH]c3ccc(Cl)cc23)cc1 1866933574 KGFGXBWJPYSRQM-LJAQVGFWSA-N 583.088 7.109 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)ccc4[C@H]3C)n2)cc1 1868527718 GWTZWVOJYAZGBQ-HXUWFJFHSA-N 523.662 6.991 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4cccc(OC)c4)CC3)n2)cc1 1868528369 ROTNKHKNCXOKSN-UHFFFAOYSA-N 566.731 6.232 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751254 YXKUXHGIFHHMIJ-OBZJLHOISA-N 519.804 6.257 50 10 KKGE Clc1cccc(Cl)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923055843 ZPGIBLRHPXKJBV-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1Br 1924039577 KZBPTANZPFQFIL-RTHLEPHNSA-N 512.865 6.609 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC2CCCCCC2)c1Br 1924591550 SDUQOQSHFCJRCD-SECBINFHSA-N 523.954 7.832 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924597010 WKXRALGLJXOKLV-SSDOTTSWSA-N 603.193 7.936 50 10 KKGE CC(C)(C)C1CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924601219 JWOKDWCWBKEGCA-KWPJZBAWSA-N 507.557 8.168 50 10 KKGE CCCOC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2001716980 BUHYLVQVVYEBFC-QMMMGPOBSA-N 511.899 6.431 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1Cl 2001995586 RNGLGUBPDPTBQM-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE COc1sc([C@@H](Br)c2cc(I)ccc2F)cc1Br 2050465068 QGFHVNIHVIJZMF-NSHDSACASA-N 505.972 5.747 50 10 KKGE CC1(C)[C@@H]2CC[C@]1(C)C(=NNC(=O)CCCCC(=O)NN=C1[C@@H](Br)[C@@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br 2059855149 JIIWCVQGWRYMIH-ZQOUMPIFSA-N 600.440 5.930 50 10 KKGE CO[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2062718624 RJYPIMOOCOMFIQ-LKEWCRSYSA-N 525.926 6.677 50 10 KKGE Cl[C@@H](C[C@@H]1CC12CC2)c1c(Br)c(Br)cc(Br)c1Br 2086422857 YMDUOYRBMUMALM-MUWHJKNJSA-N 522.300 7.207 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3nsnc3c2)c1Br 2120653091 YAYPIOWNHSFIOF-MRVPVSSYSA-N 547.917 6.525 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(I)cc2)c1Br 2136378219 BQZNAOZQXIQALJ-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE C[C@H]1Cc2cc([C@H](Cl)c3csc(Br)c3Br)cc(Br)c2O1 2150337842 UNMKYCZUEHODJR-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE CCCCO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 2175003625 FBSXYGBKNQNEIJ-ZWKOPEQDSA-N 540.994 5.493 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)c(F)c1Cl 2201612393 ZSFCFJZATARWLL-NSHDSACASA-N 512.346 6.967 50 10 KKGE FC12CCC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CC1)C2 2206396432 WQMJPLNVKUPANY-HSBZDZAISA-N 598.768 7.845 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206397425 JEJMJSTXCOJCFT-SNVBAGLBSA-N 598.699 7.499 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1Cl 2206401068 VEBZVZJSIDEVSQ-QMMMGPOBSA-N 635.601 7.261 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)ccc1Br 2213764498 BCMZLSQHWDXPFO-NSHDSACASA-N 503.879 6.828 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(C)ccc2I)s1 2232224129 VXPFJEGMKLINEH-ZDUSSCGKSA-N 516.036 6.054 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC[C@@H](C)N(C)Cc1ccccc1 2234060720 YBKDLFGDBHTOGH-CABCVRRESA-N 513.705 6.772 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)c(C)c1Cl 2264610584 XFRIVYOPAXOEMI-JTQLQIEISA-N 507.900 7.681 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)cccc2Br)cc1I 2269538759 CKJPDBOVTNUXEM-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE CS(=O)(=O)c1cscc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295333584 LPBIHCBVWMFEAR-GFCCVEGCSA-N 503.075 5.355 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2296507060 RFZQDMCXCAWHCJ-XMMPIXPASA-N 566.466 6.235 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 2296544418 AXOOJEYTOTVFQL-UHFFFAOYSA-N 535.387 6.046 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1ccc(Br)cc1 2297491171 MYKNHEISWATLTA-UHFFFAOYSA-N 531.328 6.601 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299527945 NIDCLXYMZGCSAE-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Br 2303546549 FXBCJMXSDZGCPQ-HNNXBMFYSA-N 520.059 5.312 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1 2313521488 RRDVHKQZOJFQAZ-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE N#CC(=Cc1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571294 RQBICVXZVWTWEA-UHFFFAOYSA-N 596.002 5.370 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(Cl)c1Cl 2313571431 WGEZPOMOLRYHJZ-UHFFFAOYSA-N 507.127 6.470 50 10 KKGE Fc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1I 2314454336 FVANVWYIVCNFOU-IBGZPJMESA-N 531.590 7.100 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314487678 HKZYUGXJFMHJRE-UHFFFAOYSA-N 629.448 6.669 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592359 RSAZBSOEMAXQTB-VWLOTQADSA-N 536.484 6.984 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314616466 BGNMIRIGJAQFPN-UHFFFAOYSA-N 574.656 6.692 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314618914 WNVASWKCVVHYOC-VPUSJEBWSA-N 645.785 6.313 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1 2314620373 ONIBBIIDYAEIDC-UHFFFAOYSA-N 620.709 6.962 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2317774851 SKTQSMLGTASYJX-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE C=CCOc1ccccc1OCC(O)=C(C#N)c1nc(-c2ccc(OCCCCCCC)cc2)cs1 2331345352 GHNPGDFTISLFBT-UHFFFAOYSA-N 504.652 7.596 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)cc1Cl 2331472405 QKMBLEUUFFCJHJ-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2331477413 PQMDAJFKBVIKLG-UHFFFAOYSA-N 511.485 7.750 50 10 KKGE Cc1sc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337095685 DCVRKDXTJQFCAS-NSHDSACASA-N 511.863 7.465 50 10 KKGE Cc1c([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc(Cl)c1Cl 2339132400 SKCJRVURYBRUFV-JTQLQIEISA-N 528.318 7.979 50 10 KKGE C[C@H]1CCC[C@](CI)(OCc2ccc(Cl)cc2I)C1 2340118774 ANRXEGUFUIBMPB-NHYWBVRUSA-N 504.577 5.845 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361193937 DMDBRVBRHIOESQ-FQEVSTJZSA-N 500.152 7.531 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sc(C)c(C)c1Br 2365235768 MTNQUCRBSLMONJ-LBPRGKRZSA-N 505.472 7.428 50 10 KKGE COc1ccc(C(O)(C(=O)NN(C(=O)Nc2csc3c2CCCC3)c2ccccc2)c2ccc(OC)cc2)cc1 1511270 SBPJHAXBJMVGDY-UHFFFAOYSA-N 557.672 5.650 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 29492317 YRZOCJSXHJQRNY-WEBKTBKWSA-N 512.613 6.987 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38660133 QYOQRGDVQQZBKM-LJAQVGFWSA-N 514.578 5.385 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc(OC)c1OC 38660586 VOUCKTJNCPFUHB-LJAQVGFWSA-N 522.557 5.232 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38681817 HOXPITITMBMCQU-OLILMLBXSA-N 512.606 6.190 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCC(C)C 38684279 OUQRXXWWWDMALD-SANMLTNESA-N 515.522 5.076 50 10 KKGE Cc1ccccc1COc1ccccc1/C=N/NC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 40924865 ZCWZPNGMUCXPNA-CCVNUDIWSA-N 508.068 6.593 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 100154525 OHCSQHCGZCNCIF-UHFFFAOYSA-N 564.546 5.636 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)COc1ccccc1-c1ccccc1 100174721 OZESDOVQDGUZML-UHFFFAOYSA-N 531.406 5.388 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232722 YXGBQMZOUJXRSW-WOJGMQOQSA-N 556.800 6.534 50 10 KKGE CCOc1ccc(O)c(/C=N/NC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c1 100957148 LHLOORCSBSZQDY-CAKFPMANSA-N 535.044 5.212 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C1=O 101333309 JENZAHMSOPTOQJ-NLRVBDNBSA-N 540.639 6.640 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 101339701 UYGZWQQPFHBSOX-JVWAILMASA-N 572.621 5.768 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1 101367282 RQLTVANDVMMXSH-HKBQPEDESA-N 534.568 5.477 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101374083 KGRXYAOQCXIRIA-PMERELPUSA-N 563.050 6.429 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 101375550 IILHCOOPJMQSPW-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101377549 WMAOLSMZLWMHCG-IBGZPJMESA-N 614.696 7.555 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 101381786 ZCLSNUJFCQOPBR-HKBQPEDESA-N 532.596 6.492 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385590 QYAZZJKFUIMQQI-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1Cl 101385741 ITOXMXGENLJHMK-JGCGQSQUSA-N 597.067 6.747 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386896 IYIYXYCGAWXXPG-RIPCNWKXSA-N 608.666 7.128 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 101387985 QBFXAVRKFSEVCY-DHUJRADRSA-N 604.703 7.589 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)c(C)c2c1 101391505 SRNAXODZPVUAKR-VWLOTQADSA-N 529.390 6.504 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101395408 ILFTZTUQYRONLI-SSEXGKCCSA-N 587.072 7.718 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101396537 RTQKGBOKIXZCEO-SANMLTNESA-N 553.442 7.008 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)c(C)c2c1 101398130 QCWANPORVRUEAR-YTTGMZPUSA-N 556.618 7.320 50 10 KKGE CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 102465276 LQTSVAPGCMWCAI-HKWRFOASSA-N 521.693 6.242 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 103742542 ATBPDAQZZCEECS-FNBPXTNNSA-N 601.295 6.416 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 103806157 KOEHOFJXQGGAOH-STBIYBPSSA-N 553.625 6.372 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 161109580 FLSCFZRCTZTUEC-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 201244550 DCCWLTTWSBJXFK-WKJGISSOSA-N 771.257 11.465 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205656848 BQJZVUGJOFLANN-MXFWZIMISA-N 540.616 6.110 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205781489 YQNNSBASVFHZDP-WSFYNJOLSA-N 650.782 5.577 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214333858 SFWSCHHLFHBGBJ-HPXKMKHVSA-N 554.650 6.766 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214407506 MMZJJOQSIJMAMP-SGTHAQTGSA-N 544.586 5.794 50 10 KKGE Cc1ccccc1P(Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)c1ccccc1C 217741635 JZPCBFNJBCVJBS-UHFFFAOYSA-N 771.022 14.190 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1 232344642 MOYPYCMDTBPYHQ-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)c(C)cc1Br 235860552 SIBPZUBLCULQCN-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c1I 235993728 RISLIRSZMKBXBH-CQSZACIVSA-N 507.991 5.781 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 253578756 YSSLBNAFAFJCPH-MTDXEUNCSA-N 505.068 6.710 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)cc1OC 254287796 AWKNKCAIBCTWDM-UHFFFAOYSA-N 510.546 5.266 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 310815127 WGAYCAXBOZBFLQ-LLVKDONJSA-N 538.324 7.482 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c(Cl)c1Cl 404731106 QXDVIZSKLSIFRZ-SSDOTTSWSA-N 504.285 8.215 50 10 KKGE ClCc1nc2cc(Cl)cnc2n1-c1cc(I)cc(I)c1 690395645 KXJPUZAHBZYINK-UHFFFAOYSA-N 529.934 5.022 50 10 KKGE O=C1Cc2cc([C@H](Cl)c3scc(Br)c3Br)c(Br)cc2N1 705466520 VPDALKUJRYWCSJ-LBPRGKRZSA-N 500.437 5.858 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1 1083899653 DWHNSIUODLPJOZ-UHFFFAOYSA-N 654.359 6.373 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(O)cc2O)cc1 1084136335 HPIDRNREMFIXTF-UHFFFAOYSA-N 537.357 5.232 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3Cl)cc2)c2ccc(C)cc2)cc1Br 1084220065 JKPKNUPVCBVKQH-UHFFFAOYSA-N 626.960 6.579 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084478600 WAUMEDZOWRJYNS-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(C(=O)O)cc1 1084566707 QQRMCIUEJZWXJB-RQZCQDPDSA-N 623.230 6.429 50 10 KKGE COc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccc3c(c2)OCO3)c(Br)c1 1565517507 GMADGVXMRVLFJI-UHFFFAOYSA-N 685.119 5.460 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749975 TWECKQFLWAFLNZ-UHFFFAOYSA-N 612.897 7.828 50 10 KKGE C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C/C(=N\NC(=O)CCCCC(=O)N/N=C5\CC[C@@]6(C)[C@@H](CC[C@H]7[C@H]6CC[C@]6(C)[C@H](O)CC[C@H]76)C5)CC[C@]43C)[C@@H]1CC[C@H]2O 1848439091 PYYXHHBYOQWWNZ-YWIQXZAKSA-N 719.068 8.298 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865688496 TZOBEPCBVSBPPU-DEOSSOPVSA-N 512.491 6.424 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865691779 ATQHPAZHIQIUEH-QFIPXVFZSA-N 557.876 5.925 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865694919 FOCVKNHJAYRQQQ-WJOKGBTCSA-N 554.650 6.962 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695511 PDCZUCWCUINDMB-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OC 1865695602 QKQNGJSFFJIGCO-AREMUKBSSA-N 539.051 6.472 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865701879 HFBVADRAEMFLBO-HXUWFJFHSA-N 519.930 5.807 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)c(Cl)c1 1865703310 SWNJLGKSKRPWQZ-AREMUKBSSA-N 561.469 6.921 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704289 RWMPFPDWVDHRNL-SANMLTNESA-N 517.416 6.344 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704949 IPFVKOPVSCJEPM-MHZLTWQESA-N 538.579 5.469 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865710942 MCHIZAVSZOKENE-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2c[nH]c3ccccc23)cc1 1866571927 FYBDGSMRSOLKQK-SANMLTNESA-N 514.676 5.731 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)n2)cc1 1868527681 GBCICPNUFQHRFY-JOCHJYFZSA-N 537.645 6.582 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)n2)cc1 1868528028 NFVJRKNMEPQMQA-SANMLTNESA-N 537.693 6.802 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1C 1872745003 SQVHEBMEXKDAEX-LVWGJNHUSA-N 508.559 5.268 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915131038 RQVXDBFAMBLACO-CQSZACIVSA-N 504.060 6.028 50 10 KKGE CN(CCN(Cc1ccccc1)c1cc(Br)cc(F)c1CBr)Cc1ccccc1 1961322102 XEDQIRIXZYJRLF-UHFFFAOYSA-N 520.284 6.622 50 10 KKGE FC(F)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995049337 YLFBSMHKMSVYQU-GSVOUGTGSA-N 550.655 6.828 50 10 KKGE Brc1ccc([C@H](Br)c2scc(Br)c2Br)c(Br)c1 2024279620 PRTJWMMUIBBFHR-VIFPVBQESA-N 568.748 7.282 50 10 KKGE CN([C@@H](c1ccc2ccccc2c1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@@](=O)C(C)(C)C 2080761533 KFGARSGGJZRQOI-ZSNWUXEMSA-N 667.855 9.513 50 10 KKGE BrCc1c(Br)cccc1OCc1ccc(Br)cc1Br 2092267996 UGDHRAQJNFHOKU-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Cl)c(Br)cc1F 2113357232 DBRNMVRDZULCID-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE Fc1c(Cl)cccc1C[C@@H](Br)c1cc(I)ccc1Br 2113462508 ARYVUPJMWBHIPU-GFCCVEGCSA-N 518.389 6.525 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNC1CC2(C1)C[C@@H]1CC[C@H](C2)N1C(=O)OC(C)(C)C 2128665348 CKRNSTNHOANWMS-JHFJLTJKSA-N 501.759 5.193 50 10 KKGE Cn1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2141468601 LPTMGXFFDJPSFL-JTQLQIEISA-N 601.156 6.561 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CCBr)CC1 2149750053 ZPLXBMKPMPDFSO-NSHDSACASA-N 515.027 5.081 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1csc2c(Br)cccc12 2207273739 WZWKETIGTVSZNE-CQSZACIVSA-N 542.461 7.359 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1csc(Br)c1Br 2213646007 WNPNOZIOPDMYPT-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)s1 2233018897 GFTHHIDVLHFREO-ZDUSSCGKSA-N 594.932 6.899 50 10 KKGE C[C@]1(Cn2c(CCl)nc3cc(Br)c(Br)cc32)CCCN1Cc1ccccc1 2234076594 WCBGVHNOIQPYEE-OAQYLSRUSA-N 511.689 6.355 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(C)c(C)c2Br)c1I 2253472771 FQCNMFKLXDXBIP-GFCCVEGCSA-N 500.037 6.525 50 10 KKGE COc1c([C@@H](Br)c2c(Br)sc(Br)c2Cl)csc1Cl 2256869556 XBEQACZNCRWDNM-RXMQYKEDSA-N 515.901 7.134 50 10 KKGE COc1ccc([C@H](Br)c2sc(C)c(C)c2Br)c(Br)c1Cl 2283554406 SXJRUONGPMAOKL-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198198 HMQFYYBCGPIYLG-VWLOTQADSA-N 546.490 5.543 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2297534090 WSSXQHAMTJRCJU-UHFFFAOYSA-N 614.045 7.197 50 10 KKGE Clc1cc(I)c([C@H](Br)Cc2ccc(Br)cc2)s1 2301083047 FHMSLZVFYKTEIF-SECBINFHSA-N 506.428 6.447 50 10 KKGE Cc1c([C@H](Br)c2sc(Cl)cc2I)nn(C)c1Br 2301089448 SMBXSLBAXHLRLK-ZETCQYMHSA-N 510.420 5.295 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1 2313567582 MCTMCQSWUWFCTD-UHFFFAOYSA-N 520.004 5.713 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2314618086 HAJBUSFOHFDQLV-UHFFFAOYSA-N 512.635 5.280 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618623 QNGQYVIYFGGBFR-HSZRJFAPSA-N 543.023 5.363 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314619050 YZYXXLCJGFRQQW-QHCPKHFHSA-N 544.680 7.005 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314620929 WIZHLSANNQQFOE-UHFFFAOYSA-N 586.648 5.664 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314621132 ZEYNUVRAOJWOQL-UHFFFAOYSA-N 607.066 5.927 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 2314634843 URROLYWVJGGHQE-JGCGQSQUSA-N 538.644 6.656 50 10 KKGE Cc1sc2nc(SCC(=O)C(C#N)=C3Nc4ccccc4S3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320729577 VYBSSGICJMMIKR-UHFFFAOYSA-N 564.717 7.037 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328821214 GVENPJAZNIJXAX-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 2331237883 PGSFSGQPQOCTDT-UHFFFAOYSA-N 514.566 6.104 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)c1C 2331468353 ATFHHECHWGLGPP-UHFFFAOYSA-N 518.274 7.339 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 2331491593 UYBVMWDYNYOYTL-UHFFFAOYSA-N 508.640 6.868 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2COCCC2(F)F)c1Br 2362228105 LTLXMJSGCABLDY-ANLVUFKYSA-N 501.362 6.112 50 10 KKGE Clc1ccc(COc2c(Cl)cc(CBr)cc2Cl)cc1I 2362435941 LIOJAIIOKWCHGH-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2364237105 SWRBJRJJESMOHW-SSDOTTSWSA-N 602.691 6.233 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)ccc2Br)c1 2366890404 ZJQDVNYTWIMVIO-AWEZNQCLSA-N 501.871 7.587 50 10 KKGE CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14029505 SGJPEYGOVZPSQW-UHFFFAOYSA-N 501.627 5.880 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N1CCCCC1 35446113 WSLKFWZVFRNDGE-BWAHOGKJSA-N 523.036 6.691 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 35519635 VUEHHUHSGTZYON-KGENOOAVSA-N 508.599 7.321 50 10 KKGE Cc1ccc(Cc2nc(N3CCCN(C(=O)C(C)(C)CCl)CC3)c3cnn(-c4ccccc4)c3n2)cc1 35927801 YXHGKZSDCCIJFH-UHFFFAOYSA-N 517.077 5.018 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 38602901 WPXJRXGESNJENN-WPWMEQJKSA-N 514.585 5.649 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38649888 WRJJONDRZXXKTI-WJOKGBTCSA-N 514.625 6.940 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)c(C)c2c1 38700526 AQXSBOHTKLTKFB-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38700973 VEXILNAGFWGNOF-XMMPIXPASA-N 517.006 6.781 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 38701325 SNPQOEXLUGTUMS-PMZKYIBISA-N 516.682 7.376 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 40530123 JEYPQRWIACPGRF-MUUNZHRXSA-N 502.998 6.275 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812999 JCEDRNZTMYICIC-ZZOIYXRJSA-N 504.518 5.087 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(C(C)C)cc1Br 40912306 PYVUIMIQUMAGLV-FJEPWZHXSA-N 518.455 6.413 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Br)c2)cc1 100236070 XQAKZUMPQARDMS-DOCWCXJCSA-N 559.888 6.353 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246451 QOLUTLJPCKRVOE-KVILUOORSA-N 518.038 5.976 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246677 WRKBCLVPAFMHQA-HEQFHQOESA-N 564.461 5.531 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 101336637 ASWYVYGBGBQEPK-OGLMXYFKSA-N 532.600 6.022 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 101364925 QGEDIKJSPLJLIJ-WOXYPTLQSA-N 532.210 7.137 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101367626 PJSZDFVMDUPVAR-MUUNZHRXSA-N 579.447 5.839 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101369385 ONRYPSWFSDLYND-NDEPHWFRSA-N 573.432 7.622 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382695 JQJBVMZHJHNKHZ-PMERELPUSA-N 583.984 6.030 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)c(C)c2c1 101396430 FCVQETQWXAUISM-SSEXGKCCSA-N 536.628 7.166 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397458 DPNPEBXJGCMRMH-YTTGMZPUSA-N 629.540 8.497 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccccc12 101397545 XIAJLVJRJITTAV-SSEXGKCCSA-N 563.009 7.411 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)CC1 101397820 JZKVZEWJLYKKAX-IMLANLDWSA-N 554.662 7.525 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 102417720 UDYUXTXEYSROCE-JXAWBTAJSA-N 550.011 6.836 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OCC)c1C 102554444 SLUDDSOOYNKKEM-FOWTUZBSSA-N 524.580 5.584 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)cc1OC 109860063 PDRRPJAAZGCPDX-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc(Br)ccc3OCCc3ccccc3)cc2)cc1 150418973 QMXSHCSAHKESBT-UHFFFAOYSA-N 673.633 6.570 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 150486244 PXDGKCUBRAURNZ-HKBQPEDESA-N 645.550 8.299 50 10 KKGE N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 150634681 HYLGQYDATKMVGS-ODLFYWEKSA-N 669.264 6.179 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccc3cc(Br)ccc3c2)c1 159674782 LTKCMHVPRGXISH-QGZVFWFLSA-N 533.883 7.612 50 10 KKGE Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1c(NP(c2ccccc2)c2ccccc2)cc(C(F)(F)F)cc1C(F)(F)F 198071238 BMJDYAUMXBTBBL-UHFFFAOYSA-N 640.408 9.471 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498455 PDBJUWKMSORENK-UWSKSIGRSA-N 658.644 10.881 50 10 KKGE biogenic COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2cccc3ccccc23)cc1OC 254480658 CAWPLOBMDIMHBJ-UHFFFAOYSA-N 504.542 5.993 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 254835869 ACACBXJLRAUBOX-UHFFFAOYSA-N 500.898 5.127 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 256017419 LULQSNVHDGPVML-UHFFFAOYSA-N 519.620 5.143 50 10 KKGE CC1(C)[C@H](OC(=O)Nc2ccccc2)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 256020015 RIQXORNCRAGFJP-MWDDYTRKSA-N 588.960 6.437 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 263627091 NDHPIJWBBGATAP-UHFFFAOYSA-N 521.737 6.072 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]21 306146138 BPGJURCSNNEWPC-AXDLHCFSSA-N 665.117 10.165 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@@H]1O 575232546 ZGCNMHQDCCSXMS-QJVRHODISA-N 663.406 6.422 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 719532964 CLQASETVKAQWAP-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccccc3I)c2O1 720052646 NVFZNDLSLUPMCI-VFZGTOFNSA-N 507.991 5.861 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 721717515 DGGUGCDORVAEFY-SECBINFHSA-N 528.801 7.528 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2F)cc1 725383659 BJPCFYJXQBNEOE-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@H]2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725431951 VAQLZJZVGRUENW-VZYOFZGKSA-N 729.292 13.315 50 10 KKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl 1083891200 QORBZXONSFCIBF-UHFFFAOYSA-N 515.009 5.704 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1c2ccccc2cc2ccccc12 1083955333 NLEZOSRHNZLCPP-UHFFFAOYSA-N 526.228 6.356 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084010490 DIJGTDYQGDUYGW-UHFFFAOYSA-N 532.778 5.291 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 1084084662 PPXUPKHWBRTHPM-AREMUKBSSA-N 547.449 6.154 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1 1084289450 CQKMWTHBRJBGCN-UHFFFAOYSA-N 619.253 6.542 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1 1084318500 GPBGLHUNHATVIQ-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 1084525388 OUTSHQAFKOZXBW-UHFFFAOYSA-N 604.574 7.513 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(O)ccc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1 1084547379 FSSYAIGURPMHHA-UHFFFAOYSA-N 542.444 5.506 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084594919 LUOFJIBQDCSIST-UHFFFAOYSA-N 595.055 7.366 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 1084604982 CXAYTDZNZCZODQ-WQRHYEAKSA-N 516.222 7.189 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2ccccc2o1 1084627527 FMVZDZMSZUFEFG-UHFFFAOYSA-N 575.200 6.143 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694710 RBFVAVBCUQPENE-MFKMUULPSA-N 534.154 5.853 50 10 KKGE CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1 1772721875 DWEFOAFZTVKXLF-LPHOPBHVSA-N 521.853 6.815 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865686902 DQPUCFIKGSJXIB-DEOSSOPVSA-N 513.425 6.283 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865688240 NTFOREWGKPJKQW-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865689136 KYJSUDPLAITRFB-GDLZYMKVSA-N 524.596 5.883 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865689757 DYGRITJXEATJKR-HXUWFJFHSA-N 537.369 6.985 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865691385 QPRDJKXFZLLLJE-SANMLTNESA-N 579.539 7.082 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865695380 NXFHNVMIBFTVAX-AREMUKBSSA-N 504.606 5.819 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1cc(Br)ccc1O 1865695432 CIAHHIRVQHULNQ-RUZDIDTESA-N 535.401 6.379 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695448 CQJRTLCQKSIDKZ-JOCHJYFZSA-N 523.431 5.196 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696154 XQJDIWTURHATDM-SANMLTNESA-N 517.416 6.344 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700824 FHLRTPUUPXYHHO-DEOSSOPVSA-N 528.996 5.496 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701415 VDKZTAKLACYTBQ-NDEPHWFRSA-N 557.050 6.293 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 1866991923 PZQBPKRZTCNYQU-RPWUZVMVSA-N 512.462 6.802 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@H](c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1 1867143427 MBJPMIWWQIFCGV-PXJZQJOASA-N 570.512 7.040 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@H]2CC(=O)c3ccccc32)cc1 1867243866 VOHCGCJORYKGJX-NLFFAJNJSA-N 515.660 5.377 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2ccc(OC)cc2)n1 1868387886 BHUVXQDOWHAKOX-PMERELPUSA-N 507.663 6.907 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868389229 STFMFEZUCDVBIG-UHFFFAOYSA-N 507.107 6.154 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1 1872750474 KFRTZDZKDDFSCI-FLFQWRMESA-N 513.531 5.166 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915087251 SPGSSTAAWBMJRM-AWEZNQCLSA-N 513.139 5.885 50 10 KKGE C[C@@H]1[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568871 MWUIVVPFEAIHQX-GMSGWIQWSA-N 503.826 6.373 50 10 KKGE Cl[C@@H](c1ccccc1Br)c1c(Br)sc(Br)c1Br 1924586301 WCQKKNDISMYRKA-VIFPVBQESA-N 524.297 7.126 50 10 KKGE COc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924596527 PUTDXZTVMXZXFT-SECBINFHSA-N 533.905 6.723 50 10 KKGE COc1ccc(Cl)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924601287 WMROHGIJAQXSGG-JTQLQIEISA-N 509.872 7.026 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c1I 1925622203 PMBFIECTSQYEAG-ZETCQYMHSA-N 500.385 6.889 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(I)sn1 1983287148 YQSZJRHFSZMVGV-RXMQYKEDSA-N 533.863 6.363 50 10 KKGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1991461475 NYSQKNZXRPSGHK-LLBQEJIASA-N 513.476 5.572 50 10 KKGE Cc1nc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2003568668 KORRJNIVBXZFRF-BYPYZUCNSA-N 500.890 6.829 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)n1 2005276920 BDJHZYNLOYLYNX-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE CC1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2025780616 VLWQSCLRRNXFPT-WOKRAHDESA-N 510.289 7.063 50 10 KKGE Clc1nc(Cl)n(-c2cc(Br)c(I)c(Br)c2)c1CBr 2055067286 RFWSNWAIMHHXJD-UHFFFAOYSA-N 589.678 6.204 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)C(=O)O 2070251912 JWRWEXWCMXUMDC-GSKRSEDHSA-N 562.908 7.425 50 10 KKGE CC(C)C(C(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470685 JRBVQRBAISBHMD-AWEZNQCLSA-N 584.810 8.101 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 2154360373 CIGJDLYDALXJNW-QUCCMNQESA-N 512.717 6.488 50 10 KKGE Fc1cc(Cl)ccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405697 OQHOZPVLCGPEQN-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Br)cc1I 2269541666 IYIGQCZRWPLDTQ-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2280677456 RFJDLKUFJWBSKK-GFCCVEGCSA-N 566.378 8.250 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2293198176 DLUMBUQEOAESBY-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 2293509378 SAVZZFAGUHSMIX-UHFFFAOYSA-N 540.649 6.048 50 10 KKGE CC(C)(C)OC(=O)NCCCN(CCCCCCCBr)c1cccc(Br)c1 2294699324 PXRWPDNNXIFQRB-UHFFFAOYSA-N 506.323 6.516 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Br)cc1 2295459785 YEAOBIVVSQWDOT-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE COc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 2296507044 QIGYJXJZMWAPMT-XMMPIXPASA-N 504.011 5.722 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 2313681244 XOMRTNVAZNOGAU-INIZCTEOSA-N 530.249 7.119 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12 2313738540 GXGBXSOERHSFBW-UHFFFAOYSA-N 504.815 6.960 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NC[C@H]1CCCO1 2314478182 ISGLYYJEJRKLIA-GDLZYMKVSA-N 504.590 5.320 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490042 JAOKYVRBHBAOQN-LJQANCHMSA-N 529.041 7.414 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618856 VQCBRKQGGBEXDZ-HHHXNRCGSA-N 536.632 5.489 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314620164 LBELOBHJUVTJJX-UHFFFAOYSA-N 572.665 6.090 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634545 HJVJUEGSCQQEBX-HKBQPEDESA-N 524.617 6.410 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643112 BTHOOLCGNBZXRK-JGCGQSQUSA-N 668.360 8.725 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2316834095 KURMVADZJBDEDU-VIFPVBQESA-N 522.260 5.798 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1C(C)C 2331353926 NFZWVARKLIBZOX-FPOVZHCZSA-N 501.652 6.653 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331393652 AWSUQOWKBQAVKW-UHFFFAOYSA-N 508.768 6.335 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(Br)c1O 2331429854 NAAAEHWQEFTUAH-UHFFFAOYSA-N 506.219 6.504 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Cl 2336074527 HCIMJMUCMAMFRE-HXUWFJFHSA-N 502.580 7.444 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2338863049 FBJCBAMBYYVBED-SECBINFHSA-N 536.287 5.993 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(F)c(Cl)cc1Cl)C(=O)OC(C)(C)C 2349884155 DPJLXERUCTXLGS-GOSISDBHSA-N 520.210 6.100 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2361200573 KTJFQXAHPBEBAI-TYCQWZJGSA-N 500.221 7.680 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2366799911 YINFCBWNXCGBPI-OAQYLSRUSA-N 529.099 8.404 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655931 YBQPKCMTPFCOGV-VWLOTQADSA-N 509.389 6.466 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38656983 ZROWURGFGUDYQU-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38676884 TYEUARVZIBHHBM-VWLOTQADSA-N 505.368 5.214 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1 59116626 FPPYEPUUDGNRKW-MOSHPQCFSA-N 501.583 6.161 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3cccnc3)c2C)c1 97984738 RIFBEJISOOHYCV-CVKSISIWSA-N 585.620 5.705 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100160062 LXEBCCBKYIBDNC-OAHLLOKOSA-N 564.274 5.482 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232665 UVIXZHLOXVWAPD-VXLYETTFSA-N 560.275 7.588 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 100452389 UKYFUGUOPUTELT-CNIQOEEMSA-N 596.319 6.908 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 101013473 IHHOTSHGAYEQKV-COEJQBHMSA-N 586.739 5.607 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101333232 MRIJJVPZVVRLEN-XHLNEMQHSA-N 597.741 5.496 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337712 XXLSTRVBRUSJNU-UJUJBVAOSA-N 563.057 6.945 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101340409 YTLFTFJMANJJSH-LQKURTRISA-N 530.603 6.396 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc(OC)c1OC 101368725 TZJJOXJSUYDXMJ-JMQGSBJISA-N 544.604 5.427 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101373781 USGIRDRVTJZCJZ-MGBGTMOVSA-N 560.650 6.830 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCC(C)C 101374331 BPRBKJRFGWGUQK-YTTGMZPUSA-N 534.612 6.249 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1 101377858 HKBCMSIGEFCBJB-PMERELPUSA-N 572.658 6.499 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379537 BQLDPQNLXKFKPQ-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380530 VAVTZIUQEPYKIN-ULKXQASOSA-N 578.640 7.119 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101386721 QVYSNKAQQWHHSW-WJOKGBTCSA-N 597.555 5.524 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387509 KMUKUHDICGEHTL-SDGCUXPXSA-N 599.470 7.418 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101389454 NXSVXHQWFGLMST-PMERELPUSA-N 581.556 6.149 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCC(C)C)c(OC)c3)c(C)c2c1 101395565 VVEOTOAQGKGVHF-PMERELPUSA-N 552.627 6.784 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)oc2c1 101397657 HLCVYQLIULESNK-HKBQPEDESA-N 577.036 7.719 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101398767 FKYXYPXAMWKZAL-SSEXGKCCSA-N 560.537 5.948 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614696 PWZKRGVGEUKTMD-KLPHOBTLSA-N 523.405 5.147 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 102933493 JWGBRDKLNGPKEZ-RGEXLXHISA-N 542.345 6.275 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743080 HMQFYYBCGPIYLG-NJEMLTPYSA-N 546.490 5.543 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)c1 110557908 HRXLMZKRCIMXMC-LKUDQCMESA-N 545.709 5.269 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 150392091 FJWSRJLZPNNTIR-OYKKKHCWSA-N 684.315 7.736 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429079 TWLDOWYYKYJGLG-SSEXGKCCSA-N 692.020 9.585 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429114 RGNHRDBVANYKLC-WJOKGBTCSA-N 657.575 8.932 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430561 LZMDFIMGEFITHM-XIFFEERXSA-N 655.534 8.772 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Br)cc1 150577909 CUWUBFYRXSXJQZ-PDFSKNBMSA-N 662.372 6.566 50 10 KKGE COc1c(C)cc(P(C[C@H]2OC(C)(C)O[C@H]2CP(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 195826431 SKXXXRFPVHLNLJ-MAZIBIHTSA-N 730.863 8.274 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 214225039 BYCJHJOUEMAZQM-ITYLOYPMSA-N 508.622 6.029 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214401112 NVUGRHAEMWUWBV-YQYKVWLJSA-N 570.649 5.948 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)cc1Br 236234502 PIVWISXFDQKDHZ-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE N#CC1=C(N)Oc2cc(O)c(C=Nc3ccccc3Cl)cc2[C@H]1c1cccc(I)c1 252629244 UCCPRCPWWNDJIU-JOCHJYFZSA-N 527.749 5.619 50 10 KKGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254510978 PZUXBXUFDKKROK-UHFFFAOYSA-N 523.589 5.118 50 10 KKGE CCOC(=O)C1=c2sc(=Cc3ccccc3OCc3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1 254703171 OFSPVEBKXYQUIA-MGBGTMOVSA-N 641.749 5.059 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254869671 XPFBGOFDLKIMCD-UHFFFAOYSA-N 607.688 6.331 50 10 KKGE CC(C)(C)[Si](O[C@H](CC[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1 256068567 CRBPHYMIRLKDFY-YXWIYCFASA-N 647.838 8.473 50 10 KKGE C/C(=N\NC(N)=O)[C@H](CN(Cc1ccccc1)Cc1ccccc1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 261493156 PYJBIETYXDPCCD-OGEAJZSQSA-N 574.681 5.993 50 10 KKGE C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]32)O1 605694669 ALHDGNSPBBXBJX-FVCFEPKVSA-N 981.707 14.369 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616583902 DGDYJRDKFZTURB-KXEJYYJDSA-N 942.140 9.465 50 10 KKGE Clc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(Cl)s1 721594733 RGFBMQIECNFOQN-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Cl)c3)c2C)c1 725419664 DZJSXSVVWCADKD-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE Cc1cc(Br)cc2c1N(C)C(=O)C2=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 1082990505 WENJDMJKAJWKCS-UHFFFAOYSA-N 616.148 5.590 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N)(c2ccccc2)c2ccc(OC)cc2)cc1 1083805757 YQKHBJHBEGXBKB-NSKFSDPUSA-N 787.006 7.720 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(F)c1 1084043638 RHHSQHWSKPHBQZ-CXUHLZMHSA-N 550.211 7.028 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084087113 GWFJVGZVCWLBJJ-UHFFFAOYSA-N 642.606 8.420 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084120417 UJGNLHATIRTEDG-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)c(Cl)c2)cc1 1084208010 HWPISYNOIGXBCV-UHFFFAOYSA-N 590.916 6.869 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 1084210044 QCTUUBLLZYDDTF-VWLOTQADSA-N 615.322 6.025 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084234097 UXPCWWBARNITQL-UHFFFAOYSA-N 633.466 5.524 50 10 KKGE COc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084262509 ZOXQELVBHIWRCZ-UHFFFAOYSA-N 543.645 5.172 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1084337955 AUCNFXWMCQIUPR-MFOYZWKCSA-N 536.242 7.824 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084469536 YPZBJRSUJUTNKI-UHFFFAOYSA-N 597.540 5.137 50 10 KKGE COc1cc(OC)c(C=NNC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 1084482018 XMAMPKBNCKBWCR-UHFFFAOYSA-N 517.207 5.032 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NN=Cc1ccc(C=NNC(=O)COc2ccccc2-c2ccccc2)cc1 1084589203 BJNTZFILFLMKAT-UHFFFAOYSA-N 582.660 6.079 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 1084628218 AHPHBVPHJSLJBG-QHCPKHFHSA-N 511.416 5.309 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653114 KLBDIGNUQALGRI-HGXIZLDZSA-N 564.538 7.420 50 10 KKGE Cc1cc(Br)cc(C)c1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772753304 OZXMMZRMTXYPNP-UHFFFAOYSA-N 501.808 5.827 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc(Br)c1OCc1ccccc1 1772755952 VQOVKCQGUWADPT-UHFFFAOYSA-N 590.312 6.452 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682378 NFXSUGZMUGUEAP-RUZDIDTESA-N 545.470 7.370 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OCC 1865687322 OMTCPPDTFWGZAT-MUUNZHRXSA-N 536.632 6.344 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4Cc3c(F)cccc3Cl)cc2)cc1 1865693954 SGVKALMLXHJADH-HHHXNRCGSA-N 514.988 6.138 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865695878 ABWBXZINGKGMRT-VWLOTQADSA-N 507.034 5.943 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697194 PEMBOQKBRJEJSI-AREMUKBSSA-N 543.023 6.215 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865697458 SYOSFFAFNNWTKF-DEOSSOPVSA-N 573.447 5.936 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704297 SAIFSJMRDJKEGL-SSEXGKCCSA-N 512.613 6.694 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704448 WFYUNJHOWUNBII-RUZDIDTESA-N 561.867 6.648 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865707143 OYGXSRRAXKLWMV-XMMPIXPASA-N 549.984 6.789 50 10 KKGE CC(C)c1csc(/C(C#N)=C(\O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 1872750710 OYTNRNIEEFRKCW-ZAIJZUKXSA-N 505.210 6.357 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1c(Br)sc(Br)c1Br 1924596068 ITSKOUPUKLDUFH-VIFPVBQESA-N 603.193 7.889 50 10 KKGE FC(F)(F)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)o1 1924616378 OCKTXNIBQPCOHF-SSDOTTSWSA-N 503.359 6.976 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2csc(Br)c2Br)c1 1945191118 YSTQJTQXMKJPJO-VIFPVBQESA-N 568.748 7.282 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc(Br)sc2Br)cc1Br 2048503521 MCMASYWRLAJBIF-NSHDSACASA-N 538.324 7.482 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 2069526832 QAGNTHOJEGTRBR-OLHUXHJGSA-N 526.922 9.641 50 10 KKGE Fc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079243337 SIYCVVGASFTGGH-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2cc(I)ccc2Br)c1C 2082873507 KVZIFAALLHAQDG-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Brc1ccoc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493703 FWSKMQKSHHZPOL-JTQLQIEISA-N 631.576 7.576 50 10 KKGE Cc1cc([C@@H](Br)c2sc(C)c(Br)c2C)ccc1I 2086021470 YOIJVEJERZMIJP-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)c(C)cc1Br 2094091203 QDRWVERAMOWMKR-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@H]21 2114391491 GNRKRJMZABAKGS-ZILMGAKASA-N 543.891 7.153 50 10 KKGE FC(F)(C1CCOCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 2128896592 UPVFYMUQEOJGAC-QMMMGPOBSA-N 547.879 6.534 50 10 KKGE CC12CC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141467669 ALRKOUHAFVDCAO-PNESKVBLSA-N 538.299 6.586 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2141470489 HMOHBMPBZTUYAG-LLVKDONJSA-N 556.705 6.452 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141470788 KVULVVFMFXXUEI-NSHDSACASA-N 597.164 7.874 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]3CO2)c1Br 2141472372 CQHNZDGZGJBUJI-ZTWFDIKUSA-N 582.750 6.598 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1c(Br)c(Br)cc(Br)c1Br 2141478511 GHARCYHSDCMKQM-FQEVSTJZSA-N 624.392 8.644 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)c1 2146628948 PXMYIZAJJFNDOA-CQSZACIVSA-N 525.860 6.393 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2154374783 ZRVSQOCGQMCMGP-RTBURBONSA-N 514.689 5.477 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(CCC(F)(F)F)Cc2ccccc2)c1Br 2179826300 QRSPXMXVLQYESI-UHFFFAOYSA-N 529.216 5.796 50 10 KKGE CC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 2184815213 WCXDAUGWDXBYCS-JTQLQIEISA-N 509.435 7.476 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@@H]1C[C@@H]21 2206395512 OREKFRWSFZPTJW-GKIWYZJWSA-N 550.310 6.440 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)sc1Br 2221699189 FHTOINSPVABSDD-VIFPVBQESA-N 538.324 7.368 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)cc1I 2232834001 QNEISSWMYFCZAL-QGZVFWFLSA-N 508.035 6.772 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1I 2256338589 JNRYYLGMSXJIBV-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2285277061 ZETYSTRVDZGFTO-IJESPZCISA-N 574.354 5.840 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(OC)c1 2287084237 NZJWWRPHFBSJQN-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2297458677 SEJLFMRMTZWUQP-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 2297477297 QIAJTOOMSSZFNU-UHFFFAOYSA-N 528.677 8.595 50 10 KKGE Fc1cc([C@@H](Br)c2sc(Cl)cc2I)ccc1Br 2300996808 ABIDRJBAXFDSNF-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(I)cc1 2313570900 ITXPPTYRXOXKPK-UHFFFAOYSA-N 658.117 7.494 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2313636478 AIAIFYBPWDAXRP-UHFFFAOYSA-N 570.192 7.899 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592493 VMZNMUVBPXQZLX-NDEPHWFRSA-N 509.675 6.800 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593275 KTJXZYYYAVCYHX-OSPHWJPCSA-N 552.483 6.306 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314617099 QRFRJZCHSAJPHM-UHFFFAOYSA-N 620.665 6.639 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 2314618344 LRXUJEJXZHMMNG-UHFFFAOYSA-N 566.702 6.517 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643252 LLQPDHKHUYPSHZ-UMSFTDKQSA-N 609.078 7.163 50 10 KKGE Clc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)c(I)c1 2317772520 DIVAUSZNOPWDNL-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE CC[C@@H]1C[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2320391862 YAMMPYSPWMJSQD-XSSZXYGBSA-N 524.316 7.453 50 10 KKGE Cc1ccc(C(=O)CCC(=O)NN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c(C)c1 2321253300 UBSULLAPYXIFAP-UHFFFAOYSA-N 502.014 6.104 50 10 KKGE Brc1cc(CO[C@@H]2CCCCC[C@@H]2I)ccc1I 2325376350 ILQJFSKXVIUYAR-UONOGXRCSA-N 535.001 5.707 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1O[C@H]2CC[C@H]1C2 2352547509 DLZIAFUFWWPCRR-KKNJHRACSA-N 538.299 6.584 50 10 KKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1I 2362235530 MIZHSGBQKVDECG-LBPRGKRZSA-N 597.285 7.401 50 10 KKGE FC(F)(F)CC1CCC([C@H](Br)c2sc(Cl)cc2I)CC1 2381953526 FTHQJMPGASYJAR-AYVLWNQUSA-N 501.577 7.201 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1 38603403 FQAHNPOBCZBRNJ-VFCFBJKWSA-N 522.649 6.501 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38685216 KVRILCUVRPRECI-NDEPHWFRSA-N 518.997 6.030 50 10 KKGE CCCCOc1ccc(Br)cc1/C=N/NC(=O)CSc1nc(-c2ccccc2)cs1 40924560 KRJIMPJPNDLZQH-ZMOGYAJESA-N 504.475 5.994 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Cl)ccc1O 58990223 IRDRHCZDXIOQJK-VUTHCHCSSA-N 520.058 5.434 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cccc2ccccc12 100186751 OTMAXBSJWMTBOW-UHFFFAOYSA-N 558.498 5.276 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100194209 YXYKPTLAYRGXOJ-UHFFFAOYSA-N 601.361 5.084 50 10 KKGE O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(OCCc2ccccc2)c(Br)c1 100212204 RXZXZIUOCRUESE-UHFFFAOYSA-N 545.433 5.724 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(Br)cc3)nc12 101115362 JLGDJOHWBODPKF-QINSGFPZSA-N 570.230 6.410 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccccc12)NNC(=O)c1ccc(Br)cc1 101134689 IAGUTUVVKKMGNX-UHFFFAOYSA-N 527.422 5.930 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@@H](CC)C2 101193850 NIYQUILLNYJMHO-WTNDLDAUSA-N 543.472 7.552 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101339426 YZUJBFHBNXLBLP-JVWAILMASA-N 542.595 5.411 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101340501 ABDYMYHCEMBGFM-STBIYBPSSA-N 546.602 6.258 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381049 XMVGHGRWEJDPSU-PMERELPUSA-N 556.977 6.261 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101387222 PEPFWUZHGNIADK-QPHCHLROSA-N 584.575 6.143 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101387709 PSUSYGKQXCJCPC-UMSFTDKQSA-N 576.649 6.484 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387727 XKESRPMXJOVSMY-JJWGZSDKSA-N 627.524 8.117 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101392710 VINKWARTRXHLKK-RUZDIDTESA-N 547.032 6.708 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101394265 YJPFPCRFUOXHMK-GDLZYMKVSA-N 538.600 6.593 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccccc1Cl 101766107 ICMJQUXTLIQWMO-XKJRVUDJSA-N 566.279 6.489 50 10 KKGE O=C(N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102980309 QVKPRSJCSTVDLI-CQCAPLITSA-N 566.466 6.452 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(/C#N)c4nc5ccccc5s4)cc3)cc2)C[C@H](C)O1 103465226 UYHHGHATHSRWIJ-KXOUHSRZSA-N 559.669 5.378 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1OC 103726142 GPBKYKIWZKCFDK-GFXGDVFHSA-N 532.660 6.222 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N/NC(=O)CSc3nc4ccccc4s3)c3ccccc32)C1 104891502 LUWXUXUTUWTXLM-QCQLJMQISA-N 533.723 5.114 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCCO2 128543035 CXVAPDWRJGQTBK-GFCCVEGCSA-N 503.437 6.135 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 164015338 OYXYWCIFCRGTDP-JEPNHJGPSA-N 680.768 6.704 50 10 KKGE CCCCC[C@H](/C=C\[C@@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@@H]1CCCCO1 212754207 GGIODFRWUKSMTA-HNIZFXLASA-N 614.940 8.778 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214362546 CERAEORHBVBMEX-IWIPYMOSSA-N 537.576 5.381 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C2=O)cc1OC 214371644 URQCBQKXHCYJHY-IMRQLAEWSA-N 589.608 5.300 50 10 KKGE Cc1nnc(SCC(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)n1-c1ccccc1 254556836 QYPCWWOANQUQJF-UHFFFAOYSA-N 521.602 5.191 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 254815701 ZAXUXEFKRXJBHC-UHFFFAOYSA-N 578.710 5.555 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc3ccc(Br)cc3s1)[C@H]2Br 256022804 FQTSSUKEBCQBLB-GOPGUHFVSA-N 616.011 6.683 50 10 KKGE CCCCOc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccccc2)s1 256028553 UNOFMQZBNUBVCC-UHFFFAOYSA-N 505.463 5.389 50 10 KKGE CC(C)(C)[Si](Oc1ccc([C@@H]2[C@H](CC[C@@H](O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)(c1ccccc1)c1ccccc1 256073832 MUXDGYNFNRDXRZ-YXWIYCFASA-N 647.838 8.122 50 10 KKGE Brc1ccccc1C[C@@H](Br)c1cc(Br)c(Br)s1 709560557 ATVJWQWGTYFQJC-SECBINFHSA-N 503.879 6.714 50 10 KKGE CC(C)(C)C(=NNc1c(Cl)cc(Cl)cc1Cl)[C@@H](SSc1ccccc1)Sc1ccccc1 1081815444 KOQKBVRKOGYFRV-HSZRJFAPSA-N 542.022 10.020 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1083954468 GARMPIXUOZBAAF-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1083957399 PKWOKOIRMORVJA-CVKSISIWSA-N 597.456 6.771 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1083982124 KYTFASLQPXGNKN-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Br)cc1 1084259857 ZAOJGAPJUXVKNR-CXUHLZMHSA-N 566.666 7.543 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084299683 TXYKGEDQTPXARX-UHFFFAOYSA-N 573.671 5.394 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 1084430064 VZEADSZJHFAEFD-DEOSSOPVSA-N 586.439 5.308 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1C 1084638131 GBEGMTWCKDELME-UHFFFAOYSA-N 579.078 5.030 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)cc(Br)c1OC 1772719584 AICILOXMMWIGAZ-UHFFFAOYSA-N 670.399 5.577 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@]12C 1848665505 QAKZCDKFOJOVRK-KXXKIMOPSA-N 568.624 8.763 50 10 KKGE N#CSc1ccc(NC(=O)c2cc(CCc3ccccc3)n(Cc3ccc(Cl)c(Cl)c3)n2)cc1 1862326969 UTYHMMMADXHTRM-UHFFFAOYSA-N 507.446 6.849 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684930 BTPPQCFYGNZWQC-QFIPXVFZSA-N 521.379 6.271 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 1865688121 JXISLPBRRMBQKV-LJAQVGFWSA-N 536.632 5.948 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689150 LGTIVBYTPQMHON-AREMUKBSSA-N 545.014 6.406 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695115 KHTCWWVPUJDZLM-MHZLTWQESA-N 579.915 7.641 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701075 LAHNDCNLHSNGBZ-NDEPHWFRSA-N 559.497 7.296 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865702828 GEYHTHIHZAYMIE-HKBQPEDESA-N 554.650 7.044 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc2c1CC[C@H](C(C)(C)C)C2 1866131841 PSSKBZJCSOFCKJ-KMPOOHAWSA-N 501.446 5.994 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866678738 BBSMYQIIGKWHES-MUUNZHRXSA-N 538.673 6.559 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867132349 RDOPNTWIYOIZSL-POURPWNDSA-N 587.717 7.117 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)n2)c1 1868505257 DZDRBDPKRQPWLJ-SANMLTNESA-N 563.727 7.277 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)c1nc(-c2ccccc2)cs1 1872748472 YXNQBWHZXDSDJE-DAFNUICNSA-N 507.527 5.285 50 10 KKGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3c(OCc4ccc(F)cc4)ccc4ccccc34)ccc12 1873793150 YWWKJVZKAMBWBH-KPGMTVGESA-N 510.521 5.502 50 10 KKGE C[C@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924586183 VDIUXKZZNNTDFI-GMSGAONNSA-N 517.906 7.275 50 10 KKGE Clc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924599121 CAPPYMLGJFFNSH-MRVPVSSYSA-N 528.318 7.865 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)cc(F)c1F 1924600570 ROXRTWGKJWBLFH-ZETCQYMHSA-N 543.822 6.937 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1c(Br)cccc1Br 1945323592 SNZQVEMNHFFJDY-JTQLQIEISA-N 524.297 7.126 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)s1 2033091936 XGDLNQOTGSOZTL-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE FC1(F)CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141467819 CPKIFFVDVFLUCL-MRVPVSSYSA-N 546.269 7.452 50 10 KKGE CC(C)([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2141478336 XFEWYXMTOZRVPM-JTQLQIEISA-N 562.343 5.840 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cscc2Br)c(Cl)c1Cl 2217610946 NZRXSNCEZXPWBS-VIFPVBQESA-N 514.291 7.718 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c(Cl)c1Cl 2224306772 HOMIVPDXWQKKKS-GOSISDBHSA-N 535.490 8.473 50 10 KKGE COCc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)s1 2237454670 IOXWVEROGZRFOA-LLVKDONJSA-N 503.481 6.752 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2240996434 NDYCUATVUXXEKN-CQSZACIVSA-N 658.191 7.978 50 10 KKGE Cc1c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)nn1C 2288361183 AJSUPDLZUYEFRO-VIFPVBQESA-N 537.822 5.779 50 10 KKGE Brc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2299492750 DNFQBIVRRCOHAO-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)s1 2301794101 JZYQESZKXJDDSN-LLVKDONJSA-N 506.428 6.561 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 2313556644 GYWGZRAORFBUKT-UHFFFAOYSA-N 520.416 6.328 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500602 PIDKDIYZGMANLJ-GOSISDBHSA-N 529.070 6.317 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592218 OCOSJSAOIMGGTP-DEOSSOPVSA-N 520.010 5.422 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593716 RTYLPWFXEYHZEG-AREMUKBSSA-N 549.618 6.571 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 2314634391 MAQXVRDVEZFLIL-PMERELPUSA-N 520.972 6.969 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 2314717029 HUVFLYLOFZETGG-BJKOFHAPSA-N 575.684 7.218 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 2331242598 RPOBDDVCVVUJMQ-HXUWFJFHSA-N 503.624 6.016 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 2331305351 UBBPKZXINAWHFO-UHFFFAOYSA-N 521.598 6.576 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 2331323582 HXDWBMBMVWDCNP-CYBMUJFWSA-N 505.821 6.803 50 10 KKGE CC(=NCCCP(c1ccccc1)c1ccccc1)C(C)=NCCCP(c1ccccc1)c1ccccc1 2333301312 YBIQYOIZUIMNQU-UHFFFAOYSA-N 536.640 6.954 50 10 KKGE BrCC(CBr)(Cc1nc(Br)cs1)c1ccc(Br)cc1 2342918509 SQBZUSXNHXHJKD-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Cn1nc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1Cl 2362232916 TVJRUMXRSDINES-MRVPVSSYSA-N 530.244 6.482 50 10 KKGE Brc1cc(I)cc(O[C@H]2C[C@@H](Br)C23CCCCCC3)c1 2364107719 VIIRSOCBRHEJGB-CABCVRRESA-N 514.039 6.309 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cn(C)nc2Br)c1Br 2365195084 YJMVICHKCUJNFG-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE Clc1cccc(C[C@H](CBr)Cc2ccc(I)c(Br)c2)c1 2377330080 OJGCBYRHFSESPQ-ZDUSSCGKSA-N 528.453 6.503 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686464 PJUDCLCYCVLXCO-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 39993140 LJMDXOBXNVBTKX-CJLVFECKSA-N 522.561 5.134 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)c(C)c32)cc1 40804669 GXWDHABOOJXAKP-PARHTJLUSA-N 505.578 7.035 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F 59304135 XDBDWWLEDHLMNJ-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 59427554 ULGQNTLYFORNND-UZWMFBFFSA-N 520.976 7.137 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2I)c1 100145751 YSLPSUWNTPERMT-FJLJVCJUSA-N 607.286 5.905 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 100451749 DVCHEEAOWZSYBR-CHVMBPBASA-N 546.259 5.755 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C1 101014166 JDHIFVYHWAXWEX-LRTVDTKTSA-N 557.720 5.125 50 10 KKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(I)cc4)cs3)o2)c([N+](=O)[O-])c1 101034125 ZMIYDURDNRFEKL-LFIBNONCSA-N 539.354 6.956 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 101035796 UDZYMENXAKAUOE-FXBPSFAMSA-N 579.213 6.431 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 101304919 DHJJVFPVLHTKCT-NJZRLIGZSA-N 584.676 6.256 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340107 ABTXKZVUOIMCRI-TWKHWXDSSA-N 558.638 5.782 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101369114 QKGGZNRHYCNADQ-SFHVURJKSA-N 597.290 5.356 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101373191 PVVIMSKLXRNIRU-NRFANRHFSA-N 560.475 5.764 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380487 CLURDROINOBXMY-HKBQPEDESA-N 571.004 6.569 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1C 101382968 CTMIIFSGFNJVFX-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386780 CGZCOGWTXISEEA-XIFFEERXSA-N 594.639 6.885 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc([N+](=O)[O-])cc3)sc2c1 101391868 YTEDJYICJYXMBE-QFIPXVFZSA-N 517.950 6.209 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCCC(C)C 101393308 FZKIQJHTYAYLDL-LJAQVGFWSA-N 552.583 5.664 50 10 KKGE O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101713562 GIJJVAGQRBVLKW-DHRITJCHSA-N 518.205 5.320 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101767470 YYVPZZLVIUWRFX-MZJWZYIUSA-N 546.259 5.882 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 102667330 FAWBCNBJJNIXBQ-LBFDQWRISA-N 536.484 6.984 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c([S@@](=O)C(F)(F)[C@H](F)Cl)cc1Cl 103187867 AMMWUVYBCBVVCD-KJEZJMDVSA-N 509.667 5.468 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc2ccccc2c1 103879812 ZWNLNPJYQMGNKT-ALQBTCKLSA-N 583.482 7.819 50 10 KKGE CCCCC/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 105466505 OFOCYIQALOILPV-MEFGMAGPSA-N 532.276 6.844 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@H]2CCC[C@@H]2[C@@H](c2ccccc2)N(C)C)cc1C 106804721 NDWMODCXTKDGOC-OIFRRMEBSA-N 503.667 6.842 50 10 KKGE Brc1ccc([C@@H](Br)c2csc(I)c2)c2ccccc12 124447924 HRIDOQVXDRKTBJ-HNNXBMFYSA-N 508.016 6.753 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 150484880 JEZWFIKCZPVYHK-RUZDIDTESA-N 629.949 8.486 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(Br)nc4c(OCc5ccccc5)nc(N5[Si](C)(C)CC[Si]5(C)C)nc43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195790796 JLNLIOWGBNVDRZ-FRXPANAUSA-N 821.127 9.642 50 10 KKGE in-vitro C=C1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1O 203585011 IWBOGWSNSAKETH-VQUMTSNNSA-N 624.897 7.877 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 205657243 WCTTXOGSSWWSCA-PBKREDRWSA-N 526.589 5.576 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@@H](CC)C2 209399757 XLEKMYLVTQKJHD-DXFLKOCDSA-N 519.579 6.154 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214305901 CUMCQWAWNBATQW-COEJQBHMSA-N 580.729 6.680 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)cc1Br 235812059 KGUVXNWFSDMLPC-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCCO2)c1cc(Br)sc1Br 236045724 PXHQMHFRWFFCHI-GFCCVEGCSA-N 503.437 6.135 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 252630092 UUIUAXXYVQCLQD-AOIIZCEASA-N 549.370 6.083 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 254483631 KCZBALUOESQTEP-UHFFFAOYSA-N 536.613 5.268 50 10 KKGE O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccccc1 254595839 OZCAIXTZNOVNNZ-ZSXSWCHZSA-N 504.615 5.672 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2[N+](=O)[O-])cc1 254753337 YTDOEEHCBGRKRM-UHFFFAOYSA-N 531.653 7.457 50 10 KKGE CCOc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1Cl 254814218 CHMQPMWAJQLITA-UHFFFAOYSA-N 501.970 5.673 50 10 KKGE Cc1cccc([C@@H](Cl)c2cc(Br)ccc2Br)c1I 300470755 CPYFGVKGIWSGBZ-CYBMUJFWSA-N 500.399 6.453 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cccc(C)c2I)s1 688149500 XGHBCXCSZMGUTR-GFCCVEGCSA-N 516.036 6.054 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1 725445117 PMKIEIRPGAQEOK-UHFFFAOYSA-N 636.572 5.156 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083915053 KDPAIKJVKUXPNR-UHFFFAOYSA-N 540.856 5.391 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1083940590 GCXYNVWQJFFHAU-RUZDIDTESA-N 647.466 5.540 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084037083 UQVYDKFKLKRJIR-GHXNOFRVSA-N 517.150 5.551 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCC#N)c(I)c2)cc1 1084175924 OJLMQNMBFCIJEA-UHFFFAOYSA-N 686.291 6.328 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084260532 NMVARUHEHIPFMA-UHFFFAOYSA-N 555.487 5.990 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084289393 BIMSKDKYONKZLM-KOEQRZSOSA-N 631.368 7.200 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084301994 HDGWSDFUWUAFCZ-NCELDCMTSA-N 592.612 5.959 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084375206 DCXWGUUUAJTCKT-VWLOTQADSA-N 621.210 7.640 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 1084485887 SKSQQZXTFNKFFK-UHFFFAOYSA-N 548.220 6.854 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 1084622133 POSUIZFUOPOTRV-ZDLGFXPLSA-N 501.797 7.170 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(C(C)C)cc1Br 1772753904 DZIMRYZFXHNUCU-UHFFFAOYSA-N 574.313 6.752 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OCC 1865687812 AXRHLZXGNIRMBG-DEOSSOPVSA-N 537.458 5.993 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865691267 ODPIVVZHDFBFRM-QHCPKHFHSA-N 567.484 6.044 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865692640 DMXKMBWOAGMLCS-XMMPIXPASA-N 566.967 6.740 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696537 HAPHEPGXQXXJHV-NRFANRHFSA-N 543.849 5.866 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701129 MNWUPDBFSYAHBH-SANMLTNESA-N 531.443 6.929 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865702367 UHSPZGKZZMKFKN-LJQANCHMSA-N 532.364 5.718 50 10 KKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 1865759303 SNAYVCOZJACWPM-UHFFFAOYSA-N 504.417 6.347 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)s1 1866634626 JBYHDFZSDQJOOD-HSZRJFAPSA-N 547.687 5.442 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866756954 QLLACPRRXGABJD-XNMGPUDCSA-N 521.633 6.342 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)cc1 1867069934 GOPPSWJKMSTLSC-AREMUKBSSA-N 516.623 5.951 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867118020 YDMVUEOAIYSNPX-LITSAYRRSA-N 559.613 6.565 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccc(Cl)c4)C3)n2)cc1 1868320979 RTKBNZZJTFCQFP-VWLOTQADSA-N 514.054 7.000 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)c(OCC)c1 1872755642 YCKFIOFITUJHQC-VPRJXVDDSA-N 508.596 6.139 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)N(CC)CC 1872782555 NBSKFZVHWQZTGF-UDWIEESQSA-N 506.584 5.428 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)c1C 1872792474 ATFHHECHWGLGPP-OMCISZLKSA-N 518.274 7.339 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)c(Br)s1 1902796876 SNMFFEOYFHAMQA-LBPRGKRZSA-N 526.088 5.373 50 10 KKGE CC(C)(CI)COCc1ccc(I)c(Br)c1 1904661236 RGPNDGZRABRWOP-UHFFFAOYSA-N 508.963 5.032 50 10 KKGE FC(F)c1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923067200 ZPPIGAKEQWJNHN-ZCFIWIBFSA-N 501.437 7.410 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924596428 OKLWBEWAAOVEDC-SECBINFHSA-N 537.868 6.668 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)cc(Br)c1 1925586462 ZJTOGSVAVRWNCZ-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Cc1cc(Br)sc1[C@H](Cl)c1ccc(I)c(Br)c1 1950215593 RSTHNGBVJRJIKC-LLVKDONJSA-N 506.428 6.514 50 10 KKGE CC[C@@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995046980 CETYFRBJTAJTLR-ANLVUFKYSA-N 542.729 7.219 50 10 KKGE CC(F)(F)CCC[C@H](Br)c1c(Br)sc(Br)c1Br 2023312721 YBOTYTXGTOBMQE-YFKPBYRVSA-N 519.869 7.297 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2030227959 VXQBVNQQFTWDBM-ZDUSSCGKSA-N 564.906 6.924 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1scc(Br)c1Br 2036581192 YUIZUJKOTCCSFQ-VIFPVBQESA-N 542.287 7.312 50 10 KKGE Cl[C@H](c1occc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085493144 YETYWELTTRVZLN-JTQLQIEISA-N 587.125 7.420 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2085494371 LHCSDPJLCVKEHF-NSHDSACASA-N 647.644 8.045 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2Oc1c(I)cc(I)cc1I 2173615324 LGFSUDWOIKIHKX-UMXXFWPTSA-N 672.908 6.221 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCC2(CC2)C1 2206394590 ICSKUMUMZVVSDJ-CLAHSXSESA-N 550.354 7.987 50 10 KKGE Cc1csc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2225886565 NKRWTSTYBNGOBA-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c(C)c1Cl 2232528889 JQGYETVYXPDXJP-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE COCC1(COC)C[C@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2238380705 MCSOXFISLOPPJW-SFYZADRCSA-N 555.952 5.956 50 10 KKGE Fc1cc([C@@H](Br)c2c(F)cccc2I)c(F)cc1Br 2267741939 ULLXEDMLEUKUHJ-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@]23COC[C@H](C2)C3)c1Br 2273108698 FMSHKJGMALUOSB-AJJMPYILSA-N 582.750 6.599 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c2C)sc2c1CCCC2 2294193358 IIIYPTHWTRNQEQ-UHFFFAOYSA-N 508.043 6.410 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 2295436825 HAJGSUAWHLYOHM-LBPRGKRZSA-N 549.904 6.537 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 2296548405 FVZVYPQAMXHENX-UHFFFAOYSA-N 642.462 5.327 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1 2296705108 QIKDIBVVUGNPOE-UHFFFAOYSA-N 505.622 6.117 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)sc2c1CCCC2 2297461757 SLUZQIXVJCLKQH-UHFFFAOYSA-N 514.470 6.666 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)cc2)o1 2297510140 JWFMNJDHCYMCJR-UHFFFAOYSA-N 517.006 7.359 50 10 KKGE CC1=C(C#N)c2[nH]c(=N)c(C#N)c(C)c2C1=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 2313562571 XJRSFZTVHXPUHM-UHFFFAOYSA-N 509.816 6.686 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314591883 GUEPOZNSLYTGGP-RUZDIDTESA-N 502.039 6.330 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 2314617813 BIPYHBKBUGSHSU-UHFFFAOYSA-N 524.964 5.587 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314618022 GAEXJTZRFYMEOZ-JOCHJYFZSA-N 573.609 6.200 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618578 PXOOOMDJBTVADB-XMMPIXPASA-N 591.111 7.725 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618984 XUSALUZJAVPHQU-QHCPKHFHSA-N 528.612 6.210 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 2314619956 HYCFWOPZXUTLFX-UHFFFAOYSA-N 595.074 7.303 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OCC)cc1 2314737664 IDDKYOFQPIJIPE-UHFFFAOYSA-N 518.635 6.715 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)c2ccccc2)cc1 2331279349 MOWOFJLPSMQVGW-UHFFFAOYSA-N 515.432 7.615 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331331536 LJBPJYUELCJQDB-UHFFFAOYSA-N 511.647 6.986 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)cc(Br)c1OC(C)C 2331452074 DNRSLPOHCPTZCA-UHFFFAOYSA-N 513.413 6.204 50 10 KKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Br 2336043835 IQPLYNIYJDHXLL-FQEVSTJZSA-N 519.035 7.911 50 10 KKGE Cn1nc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337084408 LDXJPHCZKDABNK-SECBINFHSA-N 540.250 5.984 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2338859086 BTKYLSMMQPRSCB-QMMMGPOBSA-N 533.909 6.131 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360488151 BEURQQUGGCJFGA-ZDUSSCGKSA-N 508.383 7.136 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)CC(F)(F)C(F)(F)F)c1Br 2362226258 ULDSWPNXPDXMNV-SCSAIBSYSA-N 513.295 7.028 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362235504 MFRDKRJUBRACMK-LLVKDONJSA-N 601.248 7.232 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 14648315 KHDGLXGYHLLXKJ-UHFFFAOYSA-N 524.843 5.242 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 29492260 SKOWQRIEFJSZQO-SWKFRHMKSA-N 620.734 8.657 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38606028 JNPJAVQTOAORIK-MFKUBSTISA-N 512.993 6.110 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)cc2)cc1 38650817 GRXCLHJPYMLFLR-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701024 RTXPTJVRUTZCJW-MUUNZHRXSA-N 508.574 6.584 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 40826859 ZULDHLLOSXYBFD-WEMUVCOSSA-N 513.594 6.001 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 40960189 YYFJWHYAAIHANQ-MUFRIFMGSA-N 504.428 5.934 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 58989022 HGGNNHQOZUWFLC-LQKURTRISA-N 510.450 5.602 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 59484005 ZHYPWQPTODZXHH-XNTDXEJSSA-N 508.743 5.454 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914802 PJNDMUWTRHGCRJ-LTFVAXTNSA-N 501.067 5.488 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(OC)cc2)C(=O)CCl)cc1OC 97914951 PJEZOXWMWHGTLH-HHHXNRCGSA-N 517.066 5.250 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 101012608 PVUPAHPLGCZWCG-FSGOGVSDSA-N 549.627 6.904 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101337693 AJIOVXDMFLZGAI-CRMLRQAOSA-N 542.683 6.694 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101338952 ZFGCOPXFQFNYJG-UZWMFBFFSA-N 603.122 7.697 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 101340078 RGFAAQPGEDYMCR-DHRITJCHSA-N 533.411 6.373 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384804 VPLHOVLPKONULD-WJOKGBTCSA-N 601.486 7.797 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387284 UOQAOCKJXXWUBH-XIFFEERXSA-N 580.612 6.233 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101393001 VIKFXEPUDSVRRG-SANMLTNESA-N 595.504 7.833 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396101 PDVKEYSDXWYKPP-AREMUKBSSA-N 553.442 7.008 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(CC)cc1Br 101751303 XGAJOORVRQBGRU-PXLXIMEGSA-N 581.463 5.991 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CC[C@H](C(C)(C)C)C2 102557875 AVSWQYUQSCTRAF-VZWFDDOASA-N 559.713 7.282 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 102834452 GFXPVGOKYMZPFW-WQNJBNFLSA-N 559.069 7.556 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 103563318 WGFIWTOVSVLFQM-QXUDOOCXSA-N 600.513 6.680 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1 103879780 ZNGGVBFAGIOANH-IHELAITMSA-N 575.712 8.677 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCCC1 110556809 LMQKBZDRLWQRFX-LYBHJNIJSA-N 543.693 5.070 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)c(C)cc2Br)c1 132025821 DLLBVFGGSJPJPD-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1C 150498725 PIYLDGXCVXWOSC-XAZZYMPDSA-N 631.017 7.755 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150571201 CURTUMLLUVUXSB-KPGMTVGESA-N 645.280 7.160 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2 164613136 TZFFNYUIIGADDE-IPBVOBEMSA-N 649.235 5.880 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 214372136 IFODTFRGLFPMSV-VAMRJTSQSA-N 616.718 6.570 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214373937 NAAPTAHHAVALMF-XHPQRKPJSA-N 516.638 5.888 50 10 KKGE O=C(NN=C[C@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@](F)(C(F)(F)F)C4(F)F)cc2)cc1 254468072 UPUXRHBPMMZVJF-BVWXZXBISA-N 742.561 8.034 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 254734487 XATVOJXYPWBABT-UHFFFAOYSA-N 609.557 8.912 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)n3)CC[C@@]1(C)C(=O)[C@H]2Br 256018945 BHPXNFZMYXKFNV-RAXQVBBGSA-N 623.386 5.276 50 10 KKGE COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 261366740 ICYWDEWKHOGWNI-DOPJRALCSA-N 538.074 5.098 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 311906616 BUWMFKHIFOCPFD-MRXNPFEDSA-N 506.181 7.593 50 10 KKGE COc1cc(Br)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382708741 WAQBLILSAQLUEA-YJBOKZPZSA-N 530.200 5.245 50 10 KKGE ClCc1cc(Oc2c(I)cc(Cl)cc2I)ncc1Cl 388152693 QSSUBDFWCBJBJX-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE COc1cccc(OC)c1C=NNC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 606444527 QCBFBYIRXRWBQS-UHFFFAOYSA-N 552.030 6.769 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4ccc(C)cc4C)c3C)sc3c2CCCC3)cc1 1084020161 QYLLAMOZYHHLCY-UHFFFAOYSA-N 553.732 7.368 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 1084188968 ZCFRKDCHAOJUPH-PMERELPUSA-N 506.606 5.509 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)cc2)cc1 1084262566 XKIDITMYDNDQCP-UHFFFAOYSA-N 602.485 5.990 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084277073 JOYMBBXLZUVEBX-VWLOTQADSA-N 671.359 6.938 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084284267 XBPIEFHLWUMBCN-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084408903 BSPJOUXZBQSHGQ-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3)cc2Br)cc1 1084504101 IBFDNEUIKLMNAQ-RUZDIDTESA-N 555.469 5.789 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084559441 XNTHLYOHTQXEER-UHFFFAOYSA-N 612.630 5.395 50 10 KKGE COc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)ccc1Cl 1084577584 HRXQNOROHBQXBL-NHDPSOOVSA-N 558.034 7.530 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4ccc(Br)cc4)c3C)sc3c2CCCC3)cc1 1084626737 LNDMMDJJQDHVIF-JJIBRWJFSA-N 570.556 8.422 50 10 KKGE COC(=O)C[C@@]12NC(=O)O[C@@H](C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)=C[C@@H]1OCOCc1ccccc1)[C@H]2[C@H]1COC(C)(C)O1 1307258348 AYJZAWPVNWNSJY-MXWNJPFASA-N 715.916 5.241 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 1614653452 AZCPOSVKAVQUFN-DYTUUQAPSA-N 537.729 6.895 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773651 YYGPOUVOBLNWHS-PJMCGVPISA-N 629.175 12.649 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720391 MYJIHATXIHLJNK-UHFFFAOYSA-N 626.106 5.424 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)c1 1772748305 WCLVAFRGUNQJGY-UHFFFAOYSA-N 510.388 5.390 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751657 IXMJXZCZOMBQQD-UHFFFAOYSA-N 541.604 5.414 50 10 KKGE CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](Cl)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440194 FMJCESRGYYDTJI-HPYXYZGGSA-N 719.476 8.807 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687122 JUEOFMOQIALLIY-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc(Br)c1O 1865688184 MRBUALDQVRIAEX-HSZRJFAPSA-N 559.420 5.633 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccccc3)cc2)cc1 1865694337 WTHIVRUMNSFOOJ-XMMPIXPASA-N 516.523 6.056 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OCC)c(OC)c1 1865696612 IPJGPLRXLNLWHQ-NRFANRHFSA-N 539.430 5.357 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696747 KAASRUXDGBHXJT-HHHXNRCGSA-N 575.496 7.311 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698224 NVZUBGWCCBPCKR-JOCHJYFZSA-N 553.457 5.745 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1OC 1868321317 ZDRVAGMEMFEEJA-RSXGOPAZSA-N 553.688 6.488 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1)CC3 1868544251 BHBAENOMGUCNFZ-UHFFFAOYSA-N 542.712 8.309 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 1873793333 JVCSMNCTSVLZRU-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 1873920474 GJMNLXQNIQZTPL-VAYDFKCMSA-N 511.987 5.335 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCCl)cc1Br 1915069440 KNUJSJQWBMSADR-CQSZACIVSA-N 509.691 5.728 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1c(Br)cccc1Br 1916388819 SQNMJHQQXZRFOA-CQSZACIVSA-N 520.059 5.264 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 1923074283 JPNRBCHQGZAMFW-HNNXBMFYSA-N 551.525 7.990 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1cc(I)ccc1Br 1924043617 NRFMSZIZKCERGD-CLAHSXSESA-N 515.414 6.295 50 10 KKGE Cn1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)n1 1924572525 ZKDYWRZJRBORBS-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE Cc1cc(Br)sc1[C@H](Cl)c1cc(I)ccc1Br 1950208324 PZODRJJDHIKCCC-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Cc1c([C@@H](Br)c2sc(Br)cc2Br)c(Br)nn1C 2014544017 WPTHSUIMCTWNRF-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C 2077242725 MLXVKUWOGPZMGU-GOSISDBHSA-N 502.220 5.961 50 10 KKGE CC1(C)C[C@]1(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496444 WQTQYKATWGIQMX-DGCLKSJQSA-N 568.767 7.609 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23CC(CO2)C3)c1Br 2085498258 NDFJHIIWATUBIZ-RVUVVNSJSA-N 568.723 6.352 50 10 KKGE O=C(Nc1cc(Br)c(Br)c(Br)c1)N1CCC(Br)CC1 2105790017 KOIUWCAVVGHJCO-UHFFFAOYSA-N 519.857 5.365 50 10 KKGE CO[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284659 COZPKMWJQWILGD-XQXXSGGOSA-N 541.925 5.912 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@H](Cl)c1c(Br)sc(Br)c1Br)C2 2156115043 ATJOAHJQBJIRAK-ZKQGETEISA-N 513.467 7.531 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(I)ccc1F 2169669240 YZBMFGUJTOCMJZ-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 2203005158 XYLCJGXSIYHRFW-CYBMUJFWSA-N 550.843 6.853 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2ccc(Br)cc2F)c1Br 2203684133 ISJYRFRGCXIIKB-CYBMUJFWSA-N 529.867 7.100 50 10 KKGE FC(F)CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206400820 SOSPVEBYOFQCOB-LBPRGKRZSA-N 604.747 7.998 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 2210613896 IICFJTXWSXDTOK-SECBINFHSA-N 509.908 6.890 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2232160564 BUPZCOQIWBUZED-MRVPVSSYSA-N 572.769 8.021 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)c(Cl)c1Cl 2232519637 LNLFUOMUWQEKQV-GFCCVEGCSA-N 542.707 8.263 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2264364607 JYMWZUQXGGOMHJ-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Cl)c2Br)c1Br 2283199703 JKZVUJBXXHDJTB-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1Br 2295276144 BZNPYYQWMRTMIO-CQSZACIVSA-N 546.322 7.568 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1ccccc1I 2299502544 XJTIWCSSKRMPMT-FQEVSTJZSA-N 513.600 6.961 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2299534346 CMJHVHFPQKLOKJ-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc2ccccc12 2313510896 CDJJBVZEMSRTGW-UHFFFAOYSA-N 527.418 7.044 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1Cl 2313570895 ISFXTWNKFYKTKL-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl 2313667784 WPMSIJLIYLJVAT-UHFFFAOYSA-N 515.824 7.479 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450487 ZVYIHMXEEIJYPF-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592388 SFDISNYVPXRXCP-LJAQVGFWSA-N 523.702 7.307 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592488 VKUQQTCVLJVGJA-DEOSSOPVSA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314617781 ANZHGESRYDDKHH-NRFANRHFSA-N 519.004 6.546 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314619585 CAAQCRAFWPFFHH-UHFFFAOYSA-N 533.519 5.379 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634800 MLLJOHOUUSDGKZ-XIFFEERXSA-N 552.671 7.190 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314640761 WEXOWINWGKBSSU-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254533 XYUHIVUZNSAICZ-UHFFFAOYSA-N 501.307 5.114 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c(Br)c(OC)c1OC 2331286862 RTVONVCLHOSVQI-UHFFFAOYSA-N 509.328 5.826 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1Cl 2331484677 LDGQMGSTIAHOBF-UHFFFAOYSA-N 519.848 7.095 50 10 KKGE FC(F)(F)c1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336080140 XRNJEZYRZNQKMQ-GOSISDBHSA-N 506.181 7.593 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Br)c(Br)nn2C)c1Br 2338719095 DTFLPWRWCUASGR-VIFPVBQESA-N 580.738 6.263 50 10 KKGE BrCCCCC1CCN(Cc2ccc(I)c(Br)c2)CC1 2377319651 YVQDCOQLEXRHKT-UHFFFAOYSA-N 515.071 5.831 50 10 KKGE CCn1nc(C)c(CBr)c1OCc1ccc(I)c(Br)c1 2377615003 CBVHQLFDAFBJTP-UHFFFAOYSA-N 513.999 5.052 50 10 KKGE Clc1ccc(I)cc1C[C@@H](CBr)Cc1ccc(Br)cc1 2380514736 HPSGKCMFCUMWAH-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE CC(C)(C)c1ccc(CSC(SCc2ccc(C(C)(C)C)cc2)=C(C#N)C(=O)NCc2ccco2)cc1 3059094 XBGZXKVIMINJHZ-UHFFFAOYSA-N 532.775 8.093 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 35447384 KAIFTXLTDNNCJB-JLPGSUDCSA-N 504.011 6.320 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655959 YJYAAPDFLGRABO-SANMLTNESA-N 523.416 6.493 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38684462 HACLXKUVGQWPTL-LJAQVGFWSA-N 512.606 5.975 50 10 KKGE Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 48572421 JYKXTNZPQKAQOT-HNSNBQBZSA-N 521.020 6.844 50 10 KKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 59335255 RLALSRFSLDCDSR-ZSOIEALJSA-N 511.157 5.307 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4cccs4)c3C)sc3c2CCCC3)cc1 59678946 YYESCQQJZRJYAX-MUFRIFMGSA-N 516.692 6.421 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3ccccc3Cl)cc2OC)cc1OC 100869803 YJHLJMGLSFJICP-HNSNBQBZSA-N 582.053 5.026 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241018 RTYLPWFXEYHZEG-HFVAWESISA-N 549.618 6.571 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244618 AONXDNNMNGJPBG-YDYXIROLSA-N 524.429 6.067 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 101286669 TZGKAOGEUKNWDD-ZCTHSVRISA-N 554.650 6.513 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1C 101333503 DDFONHNXTCVTOD-VFCFBJKWSA-N 534.660 6.585 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101337613 LBPRXVIDFOVPIH-ZAVGGQCXSA-N 528.612 6.210 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C2=O)cc1OC 101339259 DYXGGZVVZIKXTN-OVVQPSECSA-N 584.632 6.138 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362648 FYNWQWUHWYKSPA-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101372092 AMDLXESCQSGNJI-SSEXGKCCSA-N 573.602 5.765 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101375495 MJZOGONIMIWNNA-PMERELPUSA-N 625.549 8.187 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 101375536 OVUYVTBQIWBMKZ-MGBGTMOVSA-N 570.686 6.864 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378928 MSUWJCVMOUDTJV-JGCGQSQUSA-N 532.596 5.949 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389356 QYNQIPVEPQNNHE-XIFFEERXSA-N 580.612 6.314 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610062 QMVQTUKDUHLTGI-GGFUHWEBSA-N 568.677 7.060 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614781 TVWMJLKIUPRKOM-KLPHOBTLSA-N 548.242 6.137 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 102832654 IDJMZUXZJMZJNK-QJOVZPHJSA-N 618.052 7.043 50 10 KKGE COc1cccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2ccc(F)cc2)c1 103155122 JTPCEZUBPIJDRS-ZZIIXHQDSA-N 534.657 5.228 50 10 KKGE COc1cccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c1 103749456 CZOMUWPUHPHYSW-BIZUNTBRSA-N 622.541 5.934 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 103878921 MEVGPVWCOUDYMO-KCSSXMTESA-N 558.863 7.893 50 10 KKGE Cl[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 106385545 PCQHHGZMQLZGQM-NKDGLFHZSA-N 559.102 6.923 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463291 XPOPFOSAIMXJDI-YTTGMZPUSA-N 675.952 9.035 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc(OC)c1OC 150466252 AESZVLQAGSEWDM-IBGZPJMESA-N 660.721 7.182 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150482949 XKHYEGDIOMEEMM-MUUNZHRXSA-N 668.385 9.531 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498135 CHPYRGBPWWYAIF-KXKLJFPQSA-N 666.203 6.406 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 164013586 NFQWZWANADHMAP-AMVVHIIESA-N 678.064 6.842 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 233785340 UPECACTTYWRHFH-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 253530305 ZODHPXNJFNZLJV-DMDGQDBHSA-N 597.722 9.946 50 10 KKGE biogenic CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024854 IROZDSOIJMGVCC-LPVMKIAMSA-N 812.941 15.172 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(Br)sc2Br)c(C)c1Br 305986544 IRGWKNQWYSVJDK-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Br[C@H](c1ccc(I)cc1)c1cc(I)cc2c1OCC2 388578155 VSHXYHZDUSHPCI-CQSZACIVSA-N 540.964 5.315 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C 504743105 UYCWFCMOPJKMKJ-WKJKMLHMSA-N 533.281 10.416 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12 1083941756 WUUHKUKMQOHXMO-UHFFFAOYSA-N 644.569 8.720 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1 1084071516 OBMODRIZYCOVKY-UHFFFAOYSA-N 506.912 5.254 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1 1084141214 CNFDSXIVIRSHIW-CIAFOILYSA-N 539.857 7.243 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1084189499 IWRWDFUNKVOPQW-DEOSSOPVSA-N 541.988 5.198 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1cc(Br)cc(Br)c1O)NN=Cc1cc(Br)cc(Br)c1O 1084200111 XHARMXWNYVNHRY-UHFFFAOYSA-N 782.166 7.649 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(OCC)c1O 1084301841 TZJAZQHJQDUSFN-UHFFFAOYSA-N 541.651 7.408 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSCc2cccc(Cl)c2)c1C 1084360285 FXPCLVWHLVEJBW-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Cl 1084465096 ZDXUVHLPHYNSRK-UDWIEESQSA-N 525.830 6.934 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1084504019 GNDHJTNYBRJDLL-UHFFFAOYSA-N 508.559 6.329 50 10 KKGE Cc1c(Cl)cccc1N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 1084543514 IJXNEIPFAMJHIV-UHFFFAOYSA-N 582.509 6.226 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)c2cc(Cl)ccc2OC)cc1OC 1084584490 BBUPNQHYZSRIFF-UHFFFAOYSA-N 651.141 5.354 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084635104 OFIHKISPPVVSMY-MKMNVTDBSA-N 605.530 8.841 50 10 KKGE CCOc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719785 VRTHRXIROBIKDO-UHFFFAOYSA-N 575.445 5.938 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c1 1772751419 BGEGZCNSPIJBAN-UHFFFAOYSA-N 529.593 5.620 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 1772760425 LIPMCNCIHXNOOW-UHFFFAOYSA-N 535.456 6.844 50 10 KKGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)c2)cc1 1860513920 NZAWWFZYEICWEE-OVCLIPMQSA-N 506.587 6.138 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865686789 AYBAEZJXWOXGSD-VWLOTQADSA-N 527.452 6.342 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865688263 OBQCFONDYAAZKC-SANMLTNESA-N 549.428 6.682 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688380 QSYGFZRZHFAKDY-GDLZYMKVSA-N 520.633 5.982 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(C)cc1 1865689773 WKTPXENXPJBXSW-LJAQVGFWSA-N 559.041 6.537 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865692786 PGZKWRYGFMUADK-NRFANRHFSA-N 517.468 5.804 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865696733 JPYKLOOWQJSGPS-MHZLTWQESA-N 506.606 6.253 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697170 OOQHFEUWIZUWNX-HKBQPEDESA-N 548.687 6.349 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700685 BDRFWACRHJDSSZ-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701143 NARWDYXBRYMCEB-XMMPIXPASA-N 511.453 6.596 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Cl)cc1 1865701216 PDHTZFGXPIIEFB-AREMUKBSSA-N 511.025 6.657 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701384 UMEKOSYDYVUZGY-MUUNZHRXSA-N 559.041 6.482 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703903 IHHYEAGZDVVDHT-WJOKGBTCSA-N 544.630 6.973 50 10 KKGE N#C/C(=C\c1cccc(F)c1)C(=O)Nc1c(Br)cc(Br)cc1Br 1866131265 LRYZPPIRCODSBM-ONNFQVAWSA-N 502.963 5.659 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 1872746618 QAWAAPRNJACTSW-JPDJOPTESA-N 505.821 6.803 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)CC1=O 1872756864 DYMCEWCLAQTATH-PAEYTKSYSA-N 508.043 6.497 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OC(=O)c1ccccc1 1872795212 SVZXEGKDZJVECU-WOJGMQOQSA-N 507.398 7.409 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccccc1Cl 1873498336 DYYZLVHAADMYNB-KBVAKVRCSA-N 502.014 6.442 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 1899862326 UBFSDZCBVPRLGD-GOSISDBHSA-N 517.080 7.336 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 1923073957 DVTMHIWRWWBZLH-OAHLLOKOSA-N 551.525 7.990 50 10 KKGE Brc1sc(Br)c([C@H](Br)CCC2CCCC2)c1Br 1924583385 JGLOCWBGNWSYQK-MRVPVSSYSA-N 509.927 7.442 50 10 KKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583413 JNNZHBHWGDBJJO-HAFWLYHUSA-N 511.899 6.287 50 10 KKGE C[C@@]1(CI)CC[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167349 VNGHPZXZCLMYEW-BVAGGSTKSA-N 514.403 6.890 50 10 KKGE O=S1(=O)CC[C@@H]([C@H](Br)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016683020 XPPUPZMOLABUDY-RCZVLFRGSA-N 501.442 5.715 50 10 KKGE CC1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2025780615 VLWQSCLRRNXFPT-REFSAOSRSA-N 510.289 7.063 50 10 KKGE C[C@H](C1CC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781212 DSKHQROGQFAWRS-DAZVOFDJSA-N 510.289 7.063 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)s1 2029233016 OCNHPJBGYSFSAE-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1Sc1ccccn1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 2053528647 QTDSHLYPCFOFAZ-UHFFFAOYSA-N 539.598 5.500 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063506814 BONSRSWCHJJSEC-ODHVRURNSA-N 521.938 7.298 50 10 KKGE Cl[C@@H](c1cscc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492756 QXLLIWHLWWVAJX-NSHDSACASA-N 603.193 7.889 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1Br 2137646724 SZPZOVQBPZULRU-JTQLQIEISA-N 554.323 7.182 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@@H]3CO2)c1Br 2141472371 CQHNZDGZGJBUJI-QKFVSYFCSA-N 582.750 6.598 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2193097480 XERGCPKRYOTEPY-DTQPGTOQSA-N 519.402 6.425 50 10 KKGE Fc1cc(F)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398544 WEPFSVSKXMIPRA-NSHDSACASA-N 598.699 7.499 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(I)sn2)s1 2217983108 JAZOYBHQLSEYHW-SNVBAGLBSA-N 523.053 5.593 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sccc1Br 2259999787 UUIINFLNIKXCSY-SECBINFHSA-N 525.832 6.798 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198297 RNQULPCBOVOPSW-QHCPKHFHSA-N 587.326 7.129 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1nc(C)sc1Br 2295372475 IJEINBCJFSTIHY-JTQLQIEISA-N 504.469 6.431 50 10 KKGE N#CC(=Cc1cc2cc(Br)ccc2nc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2297624104 LTTGSLWHTPWGQN-UHFFFAOYSA-N 528.862 8.505 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1 2313541488 KUFPLRZSDJAGHM-UHFFFAOYSA-N 638.097 6.941 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314449158 NSMIWRVKGKYTTD-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314617380 XCYQHDUJJQHLDO-UHFFFAOYSA-N 522.601 5.774 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618886 WCLVQLBAKAGDQK-HHHXNRCGSA-N 550.659 5.798 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643107 BHWCSBPCEHRPQP-XIFFEERXSA-N 579.052 7.073 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OC)c(Br)cc2OC)cc1OC 2314728876 PDGJUWRSMFIENP-UHFFFAOYSA-N 517.420 5.980 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)NN=Cc2cc3ccccc3n2C)cc1 2321698193 GURAKEDXRZJWTH-QFIPXVFZSA-N 524.665 6.595 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)nc(O)c2cc1OC 2331044501 TXSZLHOUAKPJBE-UHFFFAOYSA-N 538.387 6.311 50 10 KKGE N#CC(=C(O)c1ccccc1I)c1nc(-c2ccc(Br)cc2)cs1 2331260207 ORJIHDNUKKCDTD-UHFFFAOYSA-N 509.166 6.127 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(Br)c1 2331323616 LISKFSYOFXKDKG-UHFFFAOYSA-N 513.457 7.104 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(Br)c1O 2331464344 CRTHBQPFUHPAFD-UHFFFAOYSA-N 505.393 7.143 50 10 KKGE Clc1ccc(COc2cccc(Br)c2CBr)cc1I 2337270280 JPNVQOGMOMBVQE-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@@H]1CO2 2358264771 YCAUZMBBQUPEEO-SREUIJSDSA-N 552.326 6.832 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(Br)cc1I 2360487846 YNUJDBWUBLWKAC-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(C)nn(C)c1Br 2365192143 ANXNKXJBSYMANO-JTQLQIEISA-N 533.859 5.948 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2378014007 IYVTVVFJFZSQSZ-MRXNPFEDSA-N 564.387 5.069 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 2397610 GZUKVOHJCNMDHX-GJFYNSNLSA-N 508.430 6.367 50 10 KKGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(-c2ccccc2)cc1 14669648 ODXMEBZCGBSNND-UHFFFAOYSA-N 515.407 5.812 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 33471746 XFYKIMVZLWWXMW-MOSHPQCFSA-N 501.995 6.554 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)n2)cc1 33568801 YXAWPVYPQKRUFB-NUGJUAEZSA-N 522.677 8.538 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651546 RXCMDGWHNHNIKA-CPJLOUKISA-N 519.395 5.603 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 38686503 LNKSGCKMFQXUPN-GDLZYMKVSA-N 504.542 5.712 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)oc2ccc(F)cc12 38700567 VJCCPQWDPXTRQJ-JOCHJYFZSA-N 509.320 6.625 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59147363 VZRQXSOUGJVUCK-JBCPZZPVSA-N 517.365 5.197 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)sc2c1CCCC2 100209982 PDDXPCZWWBOYNW-NPTNTGAWSA-N 551.709 5.574 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 101012392 WDHOWSKVLQGPGT-ULJHMMPZSA-N 545.067 8.446 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244844 DPWJIOIRYPRQGQ-HEQFHQOESA-N 522.457 6.675 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244975 SNZOISCNJVYFMU-KVILUOORSA-N 570.036 7.295 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246673 MDCLZJWZRRHNQD-NFHYYMBESA-N 588.007 6.441 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 101333009 LLJMIPMJLJNSAL-XHLNEMQHSA-N 536.676 6.891 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101337127 QUJYVZDKNXVJGQ-IOUPCVQUSA-N 588.639 6.029 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCCC(C)C 101368415 XESOHGNQLJMLDM-PMERELPUSA-N 563.050 6.285 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380603 ZYJFPGJFWGCFLO-WJOKGBTCSA-N 548.614 7.140 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1F 101389175 LWBOSNFDCJQTNV-DIPNUNPCSA-N 626.684 7.759 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)oc2c1 101397812 RMGZGLBPGWOJOK-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598837 VDOAODSRABKEJM-OVVQPSECSA-N 547.780 5.569 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 102007067 MTOGJHUUZQVLHT-AMVVHIIESA-N 552.508 7.578 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 102666156 NLDGPVGMFYDRPS-GUNDDFSMSA-N 532.021 5.582 50 10 KKGE O=C(CCl)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103749960 OYPZJYQKYVIDDN-VHEBQXMUSA-N 525.515 5.167 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1 103879013 KSZYXZSQADMWAU-XICOUIIWSA-N 578.510 7.867 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103887942 MKZPKNBPJMOGAZ-ODLFYWEKSA-N 522.355 5.799 50 10 KKGE COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC)c(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2)c1 104956646 NIBULQXLCACXFC-WXMAUWIXSA-N 592.690 7.322 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 105509701 KWBVPGOKSPTIQO-FBQLVFPNSA-N 554.312 7.010 50 10 KKGE COC(=O)[C@@H](C(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544809 KXHPXNLLQGXVTB-OFSOJUDTSA-O 614.917 5.755 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 163741735 UMGAPLMLKLFCSM-PXLXIMEGSA-N 675.308 5.731 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 198745363 IFFFGDPNAWUUMD-QNVXDBMFSA-N 632.327 8.261 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 205665485 OKMOSDFLGOYASO-BHDPUPBESA-N 556.662 7.400 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205667874 SJLYHIVNLSIXQZ-ATDHEJMJSA-N 600.715 7.717 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 213425781 HODUUTHQNQITGS-YKORCUBHSA-N 779.062 9.261 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C1=O 214240870 YXTOAEZJWWIDKY-ANYBSYGZSA-N 536.676 6.891 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 214290537 BLRHLWNXFLJQMV-USHMODERSA-N 538.648 5.655 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214388483 FXVFFWAUBFFGGH-IPPDYPEDSA-N 584.632 5.692 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Br)c(Br)s2)c1 236069367 PNXZRNLQRLRUJJ-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Cc1cccc(NCc2nnc(SCC(=O)NN=Cc3ccc(Cl)cc3)n2-c2ccc(Cl)cc2Cl)c1 252592417 BFIKUMQNMFSZHC-UHFFFAOYSA-N 559.910 6.390 50 10 KKGE CCOc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(NC(=O)C3CCCC3)cc2)c2ccccc2n1 252630010 USJYPUXCJVXHDJ-UHFFFAOYSA-N 520.633 6.583 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 252630093 UUIUAXXYVQCLQD-JTRVQKPNSA-N 549.370 6.083 50 10 KKGE Cc1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1 254300684 IMXQZDNRJMGHMS-UHFFFAOYSA-N 546.215 5.268 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(C)cc2)cc1 254821900 OXLGXKPRISXCRL-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)cc1 256018191 GXWDHABOOJXAKP-GXBQEJFZSA-N 505.578 7.035 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]54)[C@H]23)ccc1OCc1ccc(Cl)cc1Cl 256025720 MDCBUTPELFXVJH-GRARCUOUSA-N 606.574 6.888 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 263629644 GRLVHPIOJUVSSN-UHFFFAOYSA-N 546.579 6.002 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(Br)cc2)C1 303740644 ARYHMTWGFUZPPK-GOSISDBHSA-N 510.210 5.170 50 10 KKGE COc1ccc([C@H](Br)c2sccc2I)c(OC)c1Br 382501516 LEZLKZDNDHUNPE-JTQLQIEISA-N 518.008 5.617 50 10 KKGE C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O3)[C@H]21 504145288 ALHDGNSPBBXBJX-XLAJHSIXSA-N 981.707 14.369 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCC(=O)OCc1ccccc1)[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504264648 XRPFCOIIXPPJCL-AEMSLZTFSA-N 745.166 10.578 50 10 KKGE in-vitro C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C[C@H](Cl)[C@@]43C)[C@@H]1CC[C@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 504672146 MKZGQDFQXQLWNU-IJQSCROMSA-N 564.998 7.017 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616590418 RALYOFHHSKCHRY-CRPKRFSZSA-N 662.852 7.227 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 719534894 JGVZNUQCSGEACC-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE O=C(NC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1)OCc1ccccc1 725238009 BOPDCEAXHZNRMJ-VWLOTQADSA-N 594.055 5.997 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(OCC)c2)cc1 725385951 CQNNYXMPEKHLNM-VWLOTQADSA-N 573.459 5.929 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1Cl 1083919393 JVJDSRKDRAVKBN-UHFFFAOYSA-N 520.976 7.137 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1 1083935354 DKPWWIAWPNFKBV-UHFFFAOYSA-N 606.748 6.571 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084025811 MCMXOWSWVVKGSU-UHFFFAOYSA-N 601.729 5.024 50 10 KKGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccccc2OCc2ccccc2)cc1)c1ccccc1OCc1ccccc1 1084072807 KTGOBZZMOOZWOA-UHFFFAOYSA-N 582.660 6.372 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084180536 PWWCDTNRARQYIV-UHFFFAOYSA-N 656.588 6.715 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 1084219399 BLRFUTLHNDTUMX-UHFFFAOYSA-N 600.579 6.534 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084238752 XBXNWOFKDNPKMY-UHFFFAOYSA-N 583.541 5.785 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1 1084250907 OXBWMXRAAPIONL-QFIPXVFZSA-N 611.249 5.736 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084383723 AEHSHEMZXPICCJ-UHFFFAOYSA-N 556.623 5.433 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Br)cc1 1084440986 IBBTXOJBJPDVGE-UHFFFAOYSA-N 611.128 6.716 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1F 1084470442 YOBWKSJVAZMGGC-PXLXIMEGSA-N 505.977 5.322 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1O)c1ccc(OCc2ccc(Br)cc2)cc1 1084508843 WHPYHHCIIOSNQN-UHFFFAOYSA-N 504.178 5.260 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084510794 WFEJDCQVTAIBGX-UHFFFAOYSA-N 735.541 7.401 50 10 KKGE CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)OOC(=O)[C@@H](C)[C@H]2CC[C@H](C[C@@H](CC)OOC(=O)[C@H](C)[C@H]3CC[C@H](C[C@@H](CC)OOC(=O)[C@@H](C)[C@H]4CC[C@H](C[C@@H](CC)OO1)O4)O3)O2 1615948747 QWCOEKSAEDVQDJ-SZBGDXLUSA-N 857.044 7.309 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746429 FMOBUJKPTQPVBC-UHFFFAOYSA-N 594.465 7.255 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750938 DDPTWFRZFDQBSO-UHFFFAOYSA-N 530.584 6.651 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5Br)c(C)c43)coc2c1 1772752117 ZWDSUJLOSRGKBS-UHFFFAOYSA-N 591.462 5.188 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2c(C(C)C)cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1848433576 MDCOYASBAZJWKP-CCSJJTPUSA-N 935.155 9.826 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C 1848440177 BIVIMDWFQUDBJY-VYEFPUSRSA-N 667.221 13.096 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@H](CO[P@](=O)(Cl)N(C)C)O3)c2n1 1857788690 JEXKEVAZWLLEBW-BONDPJKJSA-N 704.168 6.243 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)ccc1O 1865681605 RJUCUHCJGYMMBI-VWLOTQADSA-N 528.996 5.583 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865686731 ZVEKMQVWWLPRGU-LJQANCHMSA-N 507.343 6.599 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692276 KTVZIUPGTIMJHU-NDEPHWFRSA-N 530.584 5.936 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865694692 ZHICEZNNDUBLJH-AREMUKBSSA-N 527.024 6.267 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865696360 DUUKWVVGBMOOLG-NRFANRHFSA-N 509.404 5.131 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696644 PDDHMXNMVCXITH-IBGZPJMESA-N 560.246 5.282 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OC 1865697276 YZCOLYOGQGEUFH-AREMUKBSSA-N 565.512 6.773 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865697637 YMVDAWSHCCQRRL-QFIPXVFZSA-N 523.431 5.190 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865704987 JPNVXGFXYFVDOR-VWLOTQADSA-N 514.988 6.396 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706561 ZJRHYFYFBQKANG-LJQANCHMSA-N 514.767 5.367 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711554 BFWMIOSESUEBME-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866670257 SMHGDBZQRQUOAY-VWLOTQADSA-N 547.036 5.491 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc2)cc1 1866756419 FSHCGWWMAHWUJS-GDLZYMKVSA-N 527.596 6.556 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866980743 RFTRPXDZDNYUQZ-RRPNLBNLSA-N 533.719 6.065 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867175570 RYNRCFNLERUECJ-XMMPIXPASA-N 540.624 5.176 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867193481 WSSBDZLSWCHNDF-MHZLTWQESA-N 558.667 5.827 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)nc(-c3cccnc3)n2)cc1 1868564779 FDMXKKFZKOJKJP-SSEXGKCCSA-N 530.632 7.147 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 1872744793 IPEDYBHSPNKPNT-NTKFOSSBSA-N 501.608 5.785 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872745823 FFRAGVXYKUGUBN-HTMHDMNASA-N 501.007 7.557 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)CC1=O 1872759739 XZJVGFRKNLLZSK-OFGUMHRGSA-N 519.623 5.553 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915077151 TWFUGABAPLCKKU-HNNXBMFYSA-N 504.060 6.028 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 2085495499 QWCJYFFINIKQHY-UAMTVZLOSA-N 566.751 7.363 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2094090780 KZFMXNRVQPKNFR-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CS(=O)(=O)C1 2141470297 GAZVJCUSSDANHS-SNVBAGLBSA-N 560.327 5.451 50 10 KKGE CCc1cc([C@@H](Br)c2cc(I)ccc2Br)c(F)cc1F 2175372883 DKHPWNSWMSCKAJ-HNNXBMFYSA-N 515.961 6.379 50 10 KKGE COc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)cc1Br 2202912690 WNYCJBLRVNKELY-CYBMUJFWSA-N 531.839 6.606 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(CC2CC2)CCC1 2206398629 XGMMXRJMAUONGV-CQSZACIVSA-N 550.354 7.987 50 10 KKGE CC1(C)CC12CC([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206401144 VRCXCWINMKSEAH-PSYFVYSPSA-N 594.805 7.999 50 10 KKGE Cl[C@@H](CCC1CCCCC1)c1c(Br)c(Br)cc(Br)c1Br 2206405055 FHIYSHRBFUKEPX-LBPRGKRZSA-N 552.370 8.377 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)ccc1I 2232515179 XQCZTVOTAGOKCR-OAHLLOKOSA-N 528.453 7.117 50 10 KKGE O=C(c1ccc(Cl)c(I)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2248260022 JTQRGPYEMPLRNZ-SFHVURJKSA-N 518.620 5.761 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)s1 2256339669 VXIRZVGSDSAXIT-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(F)c2I)cc1I 2269546234 NOZQNNDOOUDTPA-CYBMUJFWSA-N 546.943 5.528 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cscc2S(C)(=O)=O)c1Br 2288511947 FWRQTZNBCOWXGK-ZDUSSCGKSA-N 503.075 5.469 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OCc1cccc2ccccc12 2294168528 PPTZDXAWTGSQEG-UHFFFAOYSA-N 555.472 7.688 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(=O)OCC)c1C 2296790218 XIXOGKLPVZZCKM-UHFFFAOYSA-N 536.462 6.817 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(OC(=O)c2ccccc2)cc1 2297708157 KGQABTBKQFKAHU-UHFFFAOYSA-N 611.084 5.722 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1csc(Br)c1Br 2299510254 QEESFEOAODWWLA-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2301044558 RVBBWNNGNKZINZ-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl 2313562543 VLZCESCMZPRCJP-UHFFFAOYSA-N 528.642 7.699 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)N1CCN(c2ccccc2)CC1 2313568113 RNPFWROEHNTGRX-UHFFFAOYSA-N 520.402 5.423 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 2313730300 MJDOZUUWSJWFIU-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314610698 LHATXMJOSNONDY-UHFFFAOYSA-N 510.553 6.078 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314611430 UCERRNDMSIJRQO-UHFFFAOYSA-N 597.502 7.426 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617777 ALZXWFDPIWIMET-VWLOTQADSA-N 572.734 7.785 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314617802 BDVJVUGHDPOYRQ-VWLOTQADSA-N 554.650 6.766 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2314643176 GHWDXIUDFQFFHF-JGCGQSQUSA-N 583.471 7.718 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1OC 2314729028 RZKUKXGCGGSVOQ-LJQANCHMSA-N 524.683 6.563 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311647 JBQPETLLQOBVDD-CYBMUJFWSA-N 520.825 6.625 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(Br)c1 2331348831 ULCNPXJXAMSMFD-UHFFFAOYSA-N 508.441 7.268 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331397001 YPFSUVXMEGVSKS-UHFFFAOYSA-N 500.405 6.971 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3)cc2)n1 2331397045 CCOGWEWHCIQPGG-UHFFFAOYSA-N 506.671 8.501 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OC)c1OC 2331412685 WPGCMYYEOWWMEW-UHFFFAOYSA-N 507.612 5.356 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(I)cc1 2335287688 CBNXNFMLEDGBLP-NSHDSACASA-N 538.807 6.984 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@H]2C[C@H]2C(F)(F)F)c1Br 2362233316 ZBXFNMLJSLMKFW-HSUXUTPPSA-N 503.353 7.029 50 10 KKGE CC1(C)CC[C@](NCCSSCCNC(=O)OC(C)(C)C)(C(=O)O)[C@@H](OCc2ccccc2)C1 2378004101 XWFIMCBVGSZKAB-NBGIEHNGSA-N 512.738 5.101 50 10 KKGE Fc1cccc([C@H](CI)OCc2cc(I)ccc2Cl)c1 2380353166 HZXHFVPGYWAUHN-HNNXBMFYSA-N 516.519 5.777 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)c(OC)c1OC 2754397 SUKAAZPKCXSYLW-JOCHJYFZSA-N 524.415 5.088 50 10 KKGE Cc1ccc(C(=O)[C@H](Br)[C@H](Br)c2cc(Br)cc3c2OCCO3)c(O)c1 33354701 QLQGBFJRKWYBFW-HZPDHXFCSA-N 535.026 5.317 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 33378971 NKKIGUTUZQCSRD-MOHJPFBDSA-N 527.024 5.831 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 38684672 JSMNFWVNPBCMEI-LJAQVGFWSA-N 512.606 5.931 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 38684729 BGVQKCJRPJROMG-LJAQVGFWSA-N 512.606 6.338 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 38686328 BNRZNIYWHNBGNL-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 38686769 HRGQPBAZTRSZSZ-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 39858896 TYFSDBZNUTZZLN-AQTBWJFISA-N 504.468 5.668 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1OC 40911066 MJPQLWNXIQCJMM-LQKURTRISA-N 519.480 6.378 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 59146864 SVWYHGPGKZKNAP-SNFGKUJTSA-N 515.657 6.645 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1Br 100062928 ULNBMHVNGBIPAI-UHFFFAOYSA-N 538.442 5.147 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cccc3ccccc23)cc1Br 100173353 BPJWMIUHOPSGIB-UHFFFAOYSA-N 558.498 5.276 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 100883591 QEVJGMMLSOYITG-FSGOGVSDSA-N 535.600 6.596 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101246877 WQOGZFMDAJOQBB-NNHPPCHPSA-N 552.483 6.684 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337023 VQCBRKQGGBEXDZ-VEWOPZLGSA-N 536.632 5.489 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396786 RNENMGNWRKFAEO-XMMPIXPASA-N 599.923 8.478 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599371 GMASGBQCBGEKOS-MHTZHOPKSA-N 570.487 6.664 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806593 WZUOXOMUHMEMRT-ZEBJWULISA-N 617.753 6.478 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2I)c1 150387822 VRALNPGLIAFBRE-FJLJVCJUSA-N 654.286 5.747 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCc1ccccc1 150411314 NQIFANSWXFUNDM-FSMOADQCSA-N 680.786 6.343 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462100 ZCAHSHNCQQEHJS-SSEXGKCCSA-N 642.322 8.082 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483807 KXLBLZLHOVOXFY-WJOKGBTCSA-N 682.354 7.546 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150485726 ZTPOAHQJVUZVII-PMERELPUSA-N 686.375 8.724 50 10 KKGE O=S(=O)(/N=C(\SS/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 150625331 ORCDXBNMUSMMIZ-IDDWGTJGSA-N 621.614 7.346 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2I)c1 150627413 NVQZWTWWHLPIGA-IUXPMGMMSA-N 744.121 7.000 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1 164613450 GGYSIGAGTPHWJX-ZSNJKBEMSA-N 720.405 8.171 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 205647175 IGZROCOJHYSIRE-JCNBUMAZSA-N 510.590 5.838 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205667658 NLSMFVQUUHYMNN-OIEUZEGHSA-N 558.634 6.728 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214322413 DTCPJGOVALCESG-XBELVFRGSA-N 536.632 5.345 50 10 KKGE O=C(C/C(=C/c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)[C@@H]1C=CC=CC1 229812779 RHAACQCPGMLCSD-RJALSFAESA-N 814.990 12.050 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 252626984 RJPRGANNEJHIPO-UHFFFAOYSA-N 635.142 5.654 50 10 KKGE N#Cc1ccccc1C=NNC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 254394350 PFIUQJLLLJJLOI-UHFFFAOYSA-N 516.988 6.623 50 10 KKGE COC(=O)c1[nH]c(SSc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)c(C(=O)OC)[nH]2)nc1-c1ccc(Cl)c([N+](=O)[O-])c1 725237822 GRMPVUZAFCCRGN-UHFFFAOYSA-N 625.428 5.963 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084277852 OXSDTIZFXUWRHZ-UHFFFAOYSA-N 575.090 5.636 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084300274 GUUSAULWPRGGIQ-UHFFFAOYSA-N 533.481 5.185 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084388652 RKRGPNKQTDXFSU-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(I)c2)cc1 1084472123 VJYAOXIVQAUYGK-DEOSSOPVSA-N 576.406 5.372 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743634 FHHXIFOIBLAGNW-UHFFFAOYSA-N 523.976 6.470 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865687934 DHTMNMMBHBCJSU-DEOSSOPVSA-N 505.405 6.512 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865693012 QPMLMQNIXRLMPE-JOCHJYFZSA-N 523.431 5.603 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700934 HZBPFEULCUMTLR-RUZDIDTESA-N 531.443 7.064 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865704812 FIQCWNBUWJVCTL-MUUNZHRXSA-N 575.024 6.639 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706358 USIMZZYBPKPDRE-HHHXNRCGSA-N 522.605 5.558 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866688682 JNQSSIVQIAFWQB-WUFINQPMSA-N 506.631 5.347 50 10 KKGE CC[C@H](CC(=O)N[C@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867138372 QOCRGMMSQIWQPT-IIBYNOLFSA-N 550.544 5.791 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)CC2 1868565438 JNACJKKRTMXGIM-HKBQPEDESA-N 542.668 7.016 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)c(Br)c1 1872752319 WSKVZXWXOJPPHQ-LVWGJNHUSA-N 519.464 7.940 50 10 KKGE CC[C@@H](Cl)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)c(C)cc1Br 1915105815 NYONJVAQGWTTTF-OAHLLOKOSA-N 509.691 5.728 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924595125 UVIDVNDNMKLTSU-SECBINFHSA-N 582.775 7.591 50 10 KKGE CC[C@@H](C)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781133 CVHFVVPKCJHOEG-MUWHJKNJSA-N 512.305 7.453 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2053612177 ZUFMOUFQBYZIHB-WSGNBLCTSA-N 885.088 9.507 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1I 2086018558 CXKHMGDBMUQAGV-VIFPVBQESA-N 540.873 7.168 50 10 KKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(I)ccc2Br)c1 2093074712 OVZWDFFXQCIOBX-GFCCVEGCSA-N 536.048 5.003 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2137642478 JCAUYYSQRMOIAE-CQSZACIVSA-N 532.295 7.420 50 10 KKGE O=S1(=O)CCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469303 UNHRQJPFMNITIP-RDDDGLTNSA-N 560.327 5.594 50 10 KKGE Cl[C@H](c1ccc(Br)cc1)c1c(Br)c(Br)cc(Br)c1Br 2141477060 KPZWIMMJPRYIJL-CYBMUJFWSA-N 597.164 7.827 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 2172411942 IWRIWHKALGNHTL-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2206396542 YCAUZMBBQUPEEO-FICLDZOFSA-N 552.326 6.832 50 10 KKGE CCc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1CC 2207271674 JVGNIKFKTGKAFS-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 2219698869 GAINOACVPSOXGL-SVRRBLITSA-N 525.926 6.819 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 2225616125 MZAXCXYXPSREIN-ZDUSSCGKSA-N 627.709 7.202 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)cc(C)c(Br)c2C)cc1I 2232834000 QNEISSWMYFCZAL-KRWDZBQOSA-N 508.035 6.772 50 10 KKGE CCc1cc([C@@H](Br)c2cc(I)ccc2Br)sc1Br 2255989467 TWWBKMWICQCZIV-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2279058184 MWTHPSUHNUMRBN-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2283199922 LXZNMUXOIDAFPY-LLVKDONJSA-N 676.060 8.637 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1scc(Br)c1Br 2295264351 FAVXBCHCSRRDPF-LLVKDONJSA-N 568.350 7.490 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1OC 2296507115 UDUFSQFQJRKKEV-SANMLTNESA-N 548.064 5.142 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 2297458067 YVGRKCWHCMIERB-UHFFFAOYSA-N 543.472 7.696 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2297458274 FCFMEJIQWQFURF-UHFFFAOYSA-N 538.652 5.248 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cccc(I)c2)c1 2299494941 PDIPHRROQLGCAQ-HXUWFJFHSA-N 558.051 7.117 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCC[C@H]1I 2302813888 LGVLWGHDKKXBCN-OLZOCXBDSA-N 520.974 5.317 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 2313511354 HNRTWNDDGOMHJB-UHFFFAOYSA-N 525.830 6.798 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1 2313548702 CJZCJRDEACJGPI-UHFFFAOYSA-N 521.617 7.485 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571331 SQFSZXMQSOUZGZ-UHFFFAOYSA-N 561.079 8.732 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314616568 DTZYJPAUMDXQEP-UHFFFAOYSA-N 568.677 7.043 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OCC)c1OCC 2331404034 TVEUFMHMQPRAQP-UHFFFAOYSA-N 505.423 7.263 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1 2331429881 PUFXHVQWKCAAGN-UHFFFAOYSA-N 517.448 7.614 50 10 KKGE Cc1c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)nn1C 2362231818 HJYYSXICALVOKJ-SECBINFHSA-N 554.277 6.293 50 10 KKGE Cc1ccccc1[C@@H](CI)OCc1cc(Br)cc(Br)c1 2362240798 RCRDUWRELKVGNO-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE Cc1cc(C)cc(C(=O)N(NC(=O)NCP(=O)(Oc2ccccc2)Oc2ccccc2)C(C)(C)C)c1 2180548 BKRWCUOHPXKGLX-UHFFFAOYSA-N 509.543 6.067 50 10 KKGE COc1c(Br)cc(C=NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Br 13590172 IYRFTBFWIPQFBG-SJORKVTESA-N 508.254 5.772 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 14668276 MZPVIJMMEBTIDE-UHFFFAOYSA-N 505.453 5.546 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 15930375 AMPJRDZJNIVXOZ-JWQCQUIFSA-N 505.456 6.579 50 10 KKGE C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 27528173 DCJDHUXJJBUAJW-HJHSVFMCSA-N 502.412 6.132 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)cc2)cc1 38650818 GRXCLHJPYMLFLR-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 38660131 QYOQRGDVQQZBKM-GDLZYMKVSA-N 514.578 5.385 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680396 BHPVKPFIYAXTOT-VWLOTQADSA-N 506.961 6.485 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCC(C)C 38684229 HZMNPHHFYQLVMG-SSEXGKCCSA-N 528.605 5.549 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815534 HNAMBXSAAKYGRT-JJNGWGCYSA-N 517.629 6.170 50 10 KKGE Cc1ccccc1SCC(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 59166705 GBDZUEFPJVJUEY-NFFVHWSESA-N 512.404 5.056 50 10 KKGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100146811 CECXSWNASFFYQS-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 100234331 OCFQWHOUHZBOLO-OFWBMQHPSA-N 622.563 7.936 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(I)cc1 100238196 URHASURJQKWJKC-QGFINPQDSA-N 628.507 5.970 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245937 OEFSZTNYVHIQAD-IEQIIXMPSA-N 502.039 6.276 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101307562 CUDLKQRBYQETTF-AREMUKBSSA-N 559.043 6.874 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 101368173 KQBCFRWDHQCOGK-LJAQVGFWSA-N 533.024 6.284 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369451 VUSDNBYVUBPKEW-JGCGQSQUSA-N 532.596 6.805 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380499 YIKILEDMQCACCF-JGCGQSQUSA-N 550.586 6.170 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381304 GEDPGGMYUNZCJZ-PMERELPUSA-N 587.459 7.408 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1C 101381761 AUZDGIYXQFOBDT-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386226 RYYOPZZTKOHHDN-HKBQPEDESA-N 603.458 6.784 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388242 XOPSEJKSRFVTMZ-MGBGTMOVSA-N 611.094 7.542 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388772 LHTZKBPLHGIBJC-PMERELPUSA-N 598.011 6.663 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1Cl 101391595 JPIMCZQSIRGXOC-XMMPIXPASA-N 527.379 6.749 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Cl)cc6c5C)ccc43)c2)cc1 101398249 VBPSIYCXPNTGEU-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE O=C(NNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101450839 CZNHJILBIKMKGZ-UHFFFAOYSA-N 521.670 5.864 50 10 KKGE COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OCc1cccc2ccccc12 101677677 GOXNUPTWPQDPRQ-KSEXSDGBSA-N 563.455 7.198 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OCc1ccccc1F 102933317 GLZYHRHYRGDJBI-PXNMLYILSA-N 542.317 5.335 50 10 KKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1 103627775 IVXAQVBURCYJRC-SKUBWSPXSA-N 559.460 6.525 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 103796865 GQOCYHUOTCLAPQ-FNTLCPBMSA-N 614.543 8.711 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)c1 110557912 XQOQJDWGPMACRA-LKUDQCMESA-N 564.715 6.301 50 10 KKGE O=C(c1ccc(Br)s1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 139019165 AIRGWBOKNZWBAY-DNTJNYDQSA-N 572.285 6.533 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Br 150411255 WJAZHCSQYYIBFW-SYQPQHDQSA-N 669.557 5.227 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150461910 GIJXIGQLXPXBKY-HSZRJFAPSA-N 686.803 8.734 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 150462890 ALULGSLHDFFBOY-UFFUHHNWSA-N 646.769 5.943 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 150463100 KPYZURLXIDKBQI-IOGUJBTOSA-N 653.160 5.898 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 150482220 MKNSACHTRVLZLR-HHHXNRCGSA-N 651.930 9.017 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccc(N2CCOCC2)c1 159362471 IWMKOFYWXKTVQT-IBTHDSTKSA-N 635.161 5.861 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(I)cc1 164726991 XRGXOZWNSSPJNS-NDENLUEZSA-N 664.281 6.728 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccccc1F 205671008 REDGFRRRLPFNBX-BKCRTMBUSA-N 562.597 6.640 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780334 VAIWWADJAFUOHD-IEDNCLQISA-N 648.741 5.172 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214219379 LAYRWMWKCHSTBW-VEILYXNESA-N 546.602 6.260 50 10 KKGE Clc1cc([C@H](Cl)c2cc(I)ccc2Br)sc1Br 236031270 MPJKNOTWQDQYSY-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 252620905 MOSXFOSRZTZIEB-UHFFFAOYSA-N 576.118 6.388 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1OC(C)=O 254625951 XOUGEVXZVQOZFR-UHFFFAOYSA-N 538.676 5.160 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)cc1 254744478 CDNHHOMQQCUBLN-GEIAQZLHSA-N 551.668 6.186 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 254752751 ZWNDZWDBVDEYOE-UHFFFAOYSA-N 519.630 5.756 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc(C(C)(C)C)c1O 254869108 JNQXCWRAKMODLK-UHFFFAOYSA-N 542.705 5.929 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1OC=C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1O)(c1ccccc1)c1ccccc1 255968136 CWKMLPNAHWLONH-QGBCWPEESA-N 622.954 5.782 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)cc(Br)c2)C1 382711714 HNEZEEHPFREAGQ-CRAIPNDOSA-N 532.070 5.959 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(Br)c(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616587861 URWJXIOFFASYFA-GPRXDUPDSA-N 939.958 9.686 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cc(Br)sc3Br)c1)OCCC2 688380244 UGPWFNBSQCNJKD-LBPRGKRZSA-N 545.916 6.845 50 10 KKGE Brc1cc([C@H](Br)Cc2nc3ccccc3s2)ccc1I 721581507 YIYPPNIBYQZLHG-SNVBAGLBSA-N 523.031 6.342 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 1083916528 JKVGSPPGPYXXDE-WQRHYEAKSA-N 501.797 7.170 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1)Nc1ccccc1 1083965867 KSJRKQBAFYDJPO-UHFFFAOYSA-N 560.698 5.923 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2cccc(C)c2)cc1 1084027842 TVHHQXPVSSWDQG-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084033446 YEXOUMNQRPJXEB-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084057109 NUMDDCKDFVQYFD-UHFFFAOYSA-N 608.658 5.719 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 1084114691 UFQTXFCUTJVQFF-YVLHZVERSA-N 512.747 6.135 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084126533 GTEHTEMCFMTVCG-DEOSSOPVSA-N 575.887 6.053 50 10 KKGE CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084148401 MVUDPCNZBCEQCQ-WUXMJOGZSA-N 532.605 5.897 50 10 KKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 1084197672 YPKPRDFVDIRNDD-UHFFFAOYSA-N 663.967 6.037 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1084387394 UOZOUYFKEFYUCP-UHFFFAOYSA-N 522.193 5.685 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1 1084419622 VBROZNBKWFFDHW-UHFFFAOYSA-N 560.775 6.042 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 1084443202 ZPZJAVRVOOLSKE-UHFFFAOYSA-N 579.122 5.487 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1084623170 KQYTWJUJRZVSSF-UHFFFAOYSA-N 631.179 9.995 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748510 YXFRSGYSQZOSOV-UHFFFAOYSA-N 508.534 5.886 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772752227 ZULDHLLOSXYBFD-UHFFFAOYSA-N 513.594 6.001 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848435069 OYSKUZDIHNKWLV-ICRLXELESA-N 663.406 6.422 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685580 KHQWLPFHSUOOLI-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc(Br)c1O 1865687769 ACZRMDSXESSRSJ-HXUWFJFHSA-N 509.404 5.291 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1ccc(C)cc1 1865688182 MMXVLAZMZOORNT-HHHXNRCGSA-N 522.605 5.600 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688713 YWNHNEUJMCIDLG-QHCPKHFHSA-N 501.384 5.577 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688729 ZKMSQAJWIKJABC-VWLOTQADSA-N 502.977 6.056 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865693680 XXPSNGNBJKKXHC-QHCPKHFHSA-N 523.431 5.657 50 10 KKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703501 WVHOILYQEJKQIG-VWLOTQADSA-N 541.479 6.748 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703843 GRFNDURWIHKVGF-LJAQVGFWSA-N 563.455 6.894 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704213 QFNDKTNSXXMCSB-LJAQVGFWSA-N 512.613 6.910 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865704959 IUHVEGRDZIGZRZ-LJAQVGFWSA-N 570.605 5.994 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705348 SWUYKOHNEGBCMZ-AREMUKBSSA-N 575.452 6.247 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712007 NNWQLYQJIHXHGK-SANMLTNESA-N 559.022 5.504 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc(OC)c1O 1865714065 BUIOSIFUHOCRDR-QFIPXVFZSA-N 545.393 5.243 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866652938 RLJLZVLZJFDPKS-HHHXNRCGSA-N 556.713 6.131 50 10 KKGE CC(=O)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1868544933 OLHFFGSJGCDSAX-UHFFFAOYSA-N 500.672 5.469 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccc(Cl)c(Cl)c4)c3)nc(O)c2cc1OC 1872727765 YQRVGPAZELNFLX-CAOOACKPSA-N 538.387 6.311 50 10 KKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2cccc(Br)c2)cs1 1872746923 FYULSNXVUXOQAI-VKAVYKQESA-N 509.166 6.127 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCc1ccc(C)cc1 1872784668 URSWYPAFZMLUIQ-WSDLNYQXSA-N 517.448 7.533 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1923074857 SKNLBNINIVYRBD-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)c(Br)s1 1924033961 WTLUBAYXUDHQSL-KBUNVGBDSA-N 518.894 6.670 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924595230 WNMSYDDCQXIUAX-SVGQVSJJSA-N 501.487 5.283 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)s1 1948822694 GRQIOHVKQIJFCD-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cl[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048718 SOHCJGFPAVJTPS-AKGWXZBPSA-N 516.680 6.644 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2025782865 KVOQLIQPIASTTJ-UTNXVAPVSA-N 556.712 5.944 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1Cl 2048156855 SURFKHUNCJPRNB-YFKPBYRVSA-N 562.734 6.513 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C[C@H]3O 2054328281 XFDOVQPSOPEMRW-DXBVMLTFSA-N 520.871 7.596 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 2069358261 ZMOVORWFEGTIJA-WSQZCNEMSA-N 967.557 5.062 50 10 KKGE Fc1cc([C@H](Br)Cc2ccccc2I)c(F)cc1Br 2087570409 QVSPDXMVQSFOHA-SNVBAGLBSA-N 501.934 6.011 50 10 KKGE CCc1occc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468267 IOIOKPCJTVUDCK-NSHDSACASA-N 580.734 7.376 50 10 KKGE CC1(C)[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141470127 FBHPDNWJSFTEFY-UWVGGRQHSA-N 546.269 7.308 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2217867357 SNVQUOGAINCVLI-AWEZNQCLSA-N 500.037 6.470 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2234069969 UCRQTADBPUWYDD-VFNWGFHPSA-N 509.673 5.574 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CCCC23CC3)c1Br 2255271970 YTVRMASVOCLRRW-HTQZYQBOSA-N 521.938 7.442 50 10 KKGE COc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2268274684 FDFJSGJQBQLVDB-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1cc(Br)ccc1Br 2278095910 GKGOGPRMBAMACO-CYBMUJFWSA-N 501.490 7.579 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(Br)c1Cl 2283563661 TUNOMSYWJXFUQE-GFCCVEGCSA-N 595.294 6.963 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 2294168662 YRJHXAXKMSSCGE-UHFFFAOYSA-N 555.856 7.025 50 10 KKGE COc1c(Br)cc([C@@H](Br)c2cscc2OCc2ccccc2)c(OC)c1C 2295430175 IZAJFMRUWHKOTA-LJQANCHMSA-N 512.263 6.900 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(=O)OCC)c1C 2296145132 VPRKZHDAICBEPL-UHFFFAOYSA-N 524.580 5.584 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296507072 ROEDQMWMNRAZCM-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296507090 SRJIPFQNGZZUHS-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1cc(Br)ccc1O 2297459353 OFXNLWHIRIVTAP-UHFFFAOYSA-N 531.815 6.259 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314447057 YSLCKZGZAYZTLQ-OAQYLSRUSA-N 572.078 7.425 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593185 JAKOOIJZHZZKCZ-RUZDIDTESA-N 501.608 5.038 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593457 NCNPXFLJOOCAAC-LJAQVGFWSA-N 539.701 6.171 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314619974 IHKVVZBJZFRBNF-UHFFFAOYSA-N 604.638 5.803 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 2314643190 HCHYJRBQZTXVPY-JGCGQSQUSA-N 548.570 6.250 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281067 CXGFBEJGJCYZNT-UHFFFAOYSA-N 508.515 5.464 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 2331305606 YNOFBMLLFAWXMA-FQEVSTJZSA-N 519.623 5.110 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2coc(Br)c2)c1Br 2339653051 FLVYJMVTGMRGIC-NSHDSACASA-N 517.837 6.368 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1Cl 2364237507 VGJLAMSCYUKJIE-SECBINFHSA-N 507.835 5.698 50 10 KKGE COC(=O)[C@@H]1[C@@H](CBr)N(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 2054127 IEGXNGWHVKFPCB-PKTZIBPZSA-N 508.803 5.335 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 38687560 GAWIOIFHICLSFX-GDLZYMKVSA-N 522.601 6.920 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccs2)oc2cc(Br)ccc12 38688436 OMEAFYXPIZOXEH-NRFANRHFSA-N 507.365 6.003 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813046 AVVUXVHFHUEURD-JVWAILMASA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2 40814187 VVRZTNQKQFISCT-RUMWWMSVSA-N 514.969 6.151 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822977 YRQXJDMTQWGCCP-MTDXEUNCSA-N 515.795 5.430 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2cc(C)ccc2C(C)(C)C)c2cc(Br)ccc21 40846235 FAYDVRBNBJPSLT-OLFWJLLRSA-N 514.464 5.491 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@H]2CCC[C@H]2[C@@H](c2ccccc2)N(C)C)cc1C 60290999 NDWMODCXTKDGOC-DYIKCSJPSA-N 503.667 6.842 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 100236940 OBSUBTRYXDSGPM-PEHSQKLVSA-N 556.015 5.589 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101338580 NPRNPQKMKLNCDB-VUTHCHCSSA-N 548.687 6.808 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(C)c3)C2=O)cc1 101339912 XZTVMEBQVVLFAP-OGLMXYFKSA-N 544.611 5.657 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387066 LHHUICYYGRULTO-MFQXUVGVSA-N 617.460 7.557 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101395537 VYDLRSDGHLGQHW-MUUNZHRXSA-N 597.495 7.263 50 10 KKGE Cc1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1C 101647241 MRPNSTATPCBMGY-OLFWJLLRSA-N 526.818 5.165 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(Br)cc1 102230217 HOKMYNWTNYOHOZ-GZTJUZNOSA-N 542.773 6.144 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743172 RKEREHWXUBQHMR-RDKICWGTSA-N 522.457 6.045 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc2ccccc2c1 103884637 AVVNEJJBSDAGQS-DFKUXCBWSA-N 543.667 6.412 50 10 KKGE C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cccc([N+](=O)[O-])c1 105466518 IOAQIRSOGNRGDI-FMCGGJTJSA-N 521.165 5.192 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCC(C)C 150411284 ZJCSDHYFGJDXEA-DETJWLHLSA-N 646.769 5.799 50 10 KKGE C[C@@](CI)(OCc1cccc(Br)c1)c1ccccc1Br 162541601 GUURQZILMXLPJQ-INIZCTEOSA-N 510.007 6.079 50 10 KKGE CO[Si](CCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCC[Si](OC)(OC)OC)cc4)cc3)cc2)cc1)(OC)OC 196504401 MNIUISCUEHELER-UHFFFAOYSA-N 813.156 11.915 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H](CC#C[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 204165361 SZPDHQSVEIXPNO-AREMUKBSSA-N 524.970 7.224 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nccc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 247542335 SOGOMPJANKBXFD-KYFHRZRWSA-N 609.049 7.714 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 251380730 HQCIIKWOMRRRPN-FRTBYOJTSA-N 521.624 8.723 50 10 KKGE biogenic O=C(NN=C[C@H]1C[C@H]2C[C@H]1[C@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@](F)(C(F)(F)F)C4(F)F)cc2)cc1 254468081 UPUXRHBPMMZVJF-KEAWZKTCSA-N 742.561 8.034 50 10 KKGE Cc1cc(C)cc(OCC(=O)NN=Cc2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=NNC(=O)COc6cc(C)cc(C)c6)c5c4O)c(O)c23)c1 254615683 IXACHBRYYIOMAY-UHFFFAOYSA-N 871.000 9.049 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(O)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 255973352 GAYMGJQYVVDZLC-YCSDCEJRSA-N 965.425 6.690 50 10 KKGE COc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)([C@@H]3Br)C4(C)C)c(OC)c2)ccc1NC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 256019907 LTVFROHJLRLMRS-XLKBRPOTSA-N 702.528 8.427 50 10 KKGE Cc1nc(Oc2c(I)cc(Cl)cc2I)ncc1CCl 311534164 WRKYXDWIPLWKBB-UHFFFAOYSA-N 520.923 5.179 50 10 KKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)OC(=O)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 605692901 VMXYTCZASWNLEA-AEWRDJGCSA-N 506.275 5.147 50 10 KKGE in-vitro ClCc1nc2ccc(Cl)cc2n1-c1cc(I)cc(I)c1 690395829 MFMAVEMSRSJOQV-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084118475 YVJSXKUOAFICDJ-DEOSSOPVSA-N 669.208 6.916 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 1084141123 DGRKIYAJGWRLLC-UHFFFAOYSA-N 584.554 7.936 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1 1084188939 KVTHRJYXDJTJRP-LICLKQGHSA-N 672.144 7.884 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084627999 ZFXCHHCNTFCTFP-UHFFFAOYSA-N 582.648 5.497 50 10 KKGE CN(C(=O)c1cccc(Cl)c1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613977080 OCSCRSNTLCOIRB-RGSGVQHRSA-N 534.897 5.600 50 10 KKGE C/C(=N/NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)OC(C)(C)C)C(=O)NCc1ccc(C)cc1 1615525604 ACJLTYPKDUOQRH-IBHOTSLQSA-N 584.717 5.214 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cc2OC)cc1OC 1772720193 HQWBLJAUEYPIEZ-UHFFFAOYSA-N 640.490 6.673 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743970 MXRYUMGLXJLDMG-HNNXBMFYSA-N 538.417 5.942 50 10 KKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772747953 HDTKGNWVMFFTND-UHFFFAOYSA-N 506.602 6.413 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440682 XBIQPYOHWXHGHW-RCJPCQEBSA-N 572.947 9.442 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687434 RDOFQXVBPUBTPF-JOCHJYFZSA-N 546.977 6.399 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688929 FUDJHWLCVQCMDW-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689834 XKLVSEKPCQUXLO-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OC 1865695600 QJSCYFBTDDVCMG-NDEPHWFRSA-N 536.632 5.849 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865695774 SSAMKSREDVKGMK-MHZLTWQESA-N 574.603 6.681 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700835 FLBJSWVAUPIDEE-SFHVURJKSA-N 530.220 5.274 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700875 GOYJNBPVXZUAKI-LJQANCHMSA-N 562.237 5.472 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865701843 GPGAVPKHBQNDGK-OAQYLSRUSA-N 521.777 6.312 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865702541 BKEDIKWINFCCFV-DEOSSOPVSA-N 532.522 6.005 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704071 MCXFQUARSBCQEU-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OC(=O)c1ccccc1 1865704796 FCHHLGLOEVFBJE-GDLZYMKVSA-N 554.606 6.044 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705224 OYWNRYSZZUOEPA-DEOSSOPVSA-N 561.425 6.323 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705581 ZNBNTLHZYMTGCI-VWLOTQADSA-N 510.981 5.585 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707372 VLSWZVGPOPVRIO-FQEVSTJZSA-N 519.816 5.776 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708306 TVEKANXYGLSHNN-HSZRJFAPSA-N 504.924 5.757 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709959 LBPMIOGWGQHMNO-QHCPKHFHSA-N 548.386 6.040 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709998 MABKBGBJQRQMPR-JOCHJYFZSA-N 534.359 5.981 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215250 JWKOWOWOOSGGIY-HMMYKYKNSA-N 506.580 5.171 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753626 GOVVDBAWGRHGLG-MQPOEVEDSA-N 503.580 5.068 50 10 KKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 1872790595 SJZYFEJLUGLDQH-FYJGNVAPSA-N 511.485 7.913 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2scc(Br)c2Br)c1Br 1922913071 UCADTOFPHRFGRT-ZETCQYMHSA-N 588.804 7.652 50 10 KKGE CC(C)Cc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924616845 UEKQLQGXHYWSPM-LBPRGKRZSA-N 545.960 7.718 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2083318228 NPISILTZDWUAQI-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE CCO[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494227 KPKIIKVLOJVGMO-DPKJLXEKSA-N 570.739 6.598 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2141468572 LHSKWPQARKMHTO-ZNWBZCOPSA-N 580.778 7.609 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Br 2141469478 AUTANRWMKOGRQM-MREMCGJQSA-N 583.782 6.561 50 10 KKGE CO[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471169 OTIXOGCYIJHKSN-FWXDICJISA-N 540.315 6.832 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141475346 MAWOQNBPONJRTC-NEPJUHHUSA-N 586.738 5.978 50 10 KKGE O=C(Cc1nc(CCl)cs1)Nc1cc(Br)c(Br)c(Br)c1 2151783357 IJOWKGLSYKULNF-UHFFFAOYSA-N 503.441 5.351 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 2154367836 XMDSXEACYMKXDZ-PKOBYXMFSA-N 512.717 6.346 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Cl)cccc2Cl)c1Br 2201070656 OCTHTTSYPDGKGJ-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206394148 FLZLBBNXHYDILM-LLVKDONJSA-N 720.511 8.746 50 10 KKGE FC(F)([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCOC1 2206399824 LXFQNZVNVXCVIH-GCXOYZPQSA-N 606.719 6.844 50 10 KKGE CC[C@]12CO[C@]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206403485 ZYPZOOMULNUOGU-MELADBBJSA-N 596.777 7.132 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@H]1C 2206406431 ZVTQYTSLXDWHDF-NTQPJNNGSA-N 554.342 7.076 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2sc(Br)cc2Br)c1 2217421116 PZZYXFMVBCNFJZ-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Br)c(C)c2C)c1I 2218790667 NBEPWGMFZBTITO-NSHDSACASA-N 500.037 6.525 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224318819 AAEDBOCQFBZGID-QMMMGPOBSA-N 529.306 7.421 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 2229148092 QOGFFBHYJGNDKD-ZETCQYMHSA-N 617.220 8.130 50 10 KKGE Cc1ccc(I)c([C@@H](Br)Cc2ccc(Br)cc2Cl)c1 2232235323 VPGINIFIFFPZGF-ZDUSSCGKSA-N 514.426 6.694 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1I 2283580951 NECPULVTDURYCC-CQSZACIVSA-N 575.409 5.968 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 2294146933 FJWSRJLZPNNTIR-UHFFFAOYSA-N 684.315 7.736 50 10 KKGE CC(C=NNC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)=Cc1ccc(C=C(C)C=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1 2297321447 SCYOUIFRJLDZLX-UHFFFAOYSA-N 744.896 6.594 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC(=O)c1cccc2ccccc12 2297491203 ZDRSWGDXSUDEJD-UHFFFAOYSA-N 507.502 5.830 50 10 KKGE Clc1sc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299523340 SJJDUFCDYDCUDD-KRWDZBQOSA-N 507.074 7.834 50 10 KKGE CCOC(O)=C(C#N)[C@@H](c1ccccc1F)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501662 JXNBDZWWPRADRK-DHIUTWEWSA-O 511.371 5.169 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Br)cc1 2313570599 ATGRLNJOMHYSPA-UHFFFAOYSA-N 625.144 8.042 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314490039 JAOKYVRBHBAOQN-IBGZPJMESA-N 529.041 7.414 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 2314616423 ADSXJLXBBQDKSW-UHFFFAOYSA-N 637.136 6.834 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(C)=C(C#N)C2=O)cc1OC 2314616991 ONJAECYCUMOSPR-UHFFFAOYSA-N 537.399 6.106 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314619634 CQZUHYRIZLATJJ-UHFFFAOYSA-N 600.719 6.870 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 2314634669 WJONBDCKVYCECE-HHHXNRCGSA-N 519.428 7.128 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCC)cc2OC)cc1OCC 2314808090 VTPVCTSWSGOOMC-UHFFFAOYSA-N 506.599 5.325 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2331460149 RCNBYJBLNQTJQQ-UHFFFAOYSA-N 508.441 7.306 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c(C)c1 2331478770 VPACBEAXZMJCQS-UHFFFAOYSA-N 505.470 8.685 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336045221 UWLLSDHRKZJKIP-HXUWFJFHSA-N 603.974 8.232 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 2358265168 MHTILAHWXYDWCL-SSNIZJSZSA-N 594.761 6.596 50 10 KKGE CC12CC(C1)[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362895233 QAPFGBTZTFURHR-FDMZJPOOSA-N 596.777 6.988 50 10 KKGE Cc1ccc(CBr)c(OCc2c(Br)cccc2Br)c1Br 2381138572 WPQKKJVZPYMDPV-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 8402693 UGPAXSFKFOPCBG-GXGXPYJXSA-N 581.887 6.894 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N1CCCCC1 33383237 CKJQTFZMEYIDBZ-PLRJNAJWSA-N 506.581 6.177 50 10 KKGE Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccc3cc(Br)ccc3c1)C(=O)N2CCC(C)C 33959342 YGTJBQFACLZINB-XLVZBRSZSA-N 508.416 5.203 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCCC(C)C 38684339 WZQIYJLCOZYVKW-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38686108 PFFXAZLACPYMIW-GDLZYMKVSA-N 512.606 6.075 50 10 KKGE Nc1c(NNC(=O)c2cccc3ccccc23)ncnc1Oc1ccc(Br)c2cccnc12 40793281 WFZYIWNAMTWXFL-UHFFFAOYSA-N 501.344 5.072 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812685 QQRVOIWJBJZPJX-QFMPWRQOSA-N 512.997 6.195 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 40866580 MIGMDWJAXGUACL-WEMUVCOSSA-N 502.655 6.509 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(C)c1 40924530 GYZKFARFHPISFS-RWPZCVJISA-N 503.649 5.949 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 40929456 FQZLNUNRZCQHCT-LICLKQGHSA-N 515.349 5.193 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59157459 DQQZBDOSDUJNRX-RJNJXNQDSA-N 522.468 5.181 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 85733106 IFJUINDAXYAPTO-WPXKIBNQSA-N 720.734 8.524 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232010 AJXAVKVEYVCSBY-NRFCLKMUSA-N 580.306 6.698 50 10 KKGE COc1cc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)cc1C 100331378 OBSCNOVVYJIKPT-RVDMUPIBSA-N 524.396 5.981 50 10 KKGE C/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)C(c1ccccc1)c1ccccc1 100427821 NFTLIDZGCCAGMV-WPWMEQJKSA-N 530.260 6.223 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243111 OSNWUGDNPOLREW-PZJRUVIDSA-N 549.618 6.571 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101337117 FWYYIUHPAGODGW-NHMXVPMISA-N 504.546 5.057 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1Cl 101367170 DMOQBIBEPNSROJ-XMMPIXPASA-N 541.387 5.847 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 101368039 JTHIPNBWJPMNGG-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379960 JHSQFIHVVAVORH-PMERELPUSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384612 RVLLXFFRHHQWJA-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385872 WWEDWVUHDXXSBZ-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 101388198 NYMDPUXIUYDPCZ-SSEXGKCCSA-N 598.011 6.663 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 101388550 GGIILUVPPGNMHL-PMERELPUSA-N 598.011 6.663 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)cc2)cc1Cl 101390752 SRWIJNCSVVVCAO-MHZLTWQESA-N 567.469 7.398 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Cl)oc2ccc(Br)cc12 101391050 CVFKQAMBQYRZNF-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1F 101399382 DZSWRMFMVMQYGE-GDLZYMKVSA-N 613.066 7.719 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 101712908 ARLTXAFOIBIBPW-KVSWJAHQSA-N 552.252 6.181 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 103795989 UDGYFNCTTXTYLF-ODNPBWNPSA-N 588.922 8.756 50 10 KKGE Fc1ccc(-n2c(CCl)nc3cc(I)ccc32)c(I)c1 128057203 MVFVWRFGPVFQRC-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 150416292 CRVZBSDOFBDJGF-CALCHBBNSA-N 650.387 5.561 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc43)cc2)cc1 150481445 DZSQFGWFJPBBQZ-RUZDIDTESA-N 690.794 9.044 50 10 KKGE CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 150649988 LKIUCAPSVHJULQ-FIPPSACPSA-N 656.095 5.853 50 10 KKGE Cl[C@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155254191 NYXRIHUUSDBFND-QWHCGFSZSA-N 628.457 6.209 50 10 KKGE O=C1OC(=O)c2cc(Oc3cccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6cccc(Oc8ccc9c(c8)C(=O)OC9=O)c6)C7=O)cc5C4=O)c3)ccc21 163294825 NYZUCBJDIKSGDT-UHFFFAOYSA-N 768.646 7.161 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 163794563 ANGIJFJTZPTGMB-FNTLCPBMSA-N 661.543 8.553 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(OC(C)=O)cc3)cc2)c2ccc(C)cc2)cc1Br 164604801 JRWDAWCANPCKKH-HNSNBQBZSA-N 650.551 5.851 50 10 KKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206684021 SQFCHOSZVFEVPQ-GSVOQZKSSA-N 530.577 5.318 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214338636 XXVSWRQVXDWWOQ-LDWUQZHBSA-N 590.683 7.472 50 10 KKGE CC[C@]1(C)[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 251309230 UZDZMDLWOSZPDM-NQBHXWOUSA-N 646.870 5.831 50 10 KKGE Cc1ccccc1[C@@H]1C(C=NNC(=O)CSc2nc3ccccc3s2)=C(c2cccs2)Oc2ccccc21 252630265 UYCWQRNYGCIAAE-NDEPHWFRSA-N 553.734 7.496 50 10 KKGE CCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530134 HNLMHAUNUCSDSQ-PDGOGYCMSA-N 549.678 9.503 50 10 KKGE biogenic C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(Cl)cc1 254296705 JIYUZHVTDAMOMN-KRWDZBQOSA-N 525.465 5.817 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc3ccccc23)cc1 254488458 SXFYVOYIFGHHHZ-UHFFFAOYSA-N 515.569 5.401 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1 254578115 MNBBGUKBGCWFLF-UHFFFAOYSA-N 550.721 6.146 50 10 KKGE CCOc1cc(C(=O)NN=C(C)c2ccc(NC(=O)c3ccc(C)s3)cc2)cc(OCC)c1OCC 254706848 DFFYIDYYVQOOAX-UHFFFAOYSA-N 509.628 5.659 50 10 KKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)c(Cl)c1 254713399 BYDSAPYANUCUHE-KRWDZBQOSA-N 509.393 5.880 50 10 KKGE CC(=NNC(=O)c1cc(C2CC2)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254816244 LHPVIKRHMJHUGE-UHFFFAOYSA-N 540.439 6.038 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 256019427 WNVASWKCVVHYOC-IWBBUJNVSA-N 645.785 6.313 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCc1ccc(Cl)cc1)[C@H]2Br 256019862 IVZITUCXSNTYKL-ZLIFDBKOSA-N 528.510 5.642 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=S)sc5[C@H](c5cccc(OCc6ccccc6)c5)[C@@H]43)[C@H]12 256025851 MHWSCCDLCGTTKK-KKNSKQTASA-N 507.658 5.573 50 10 KKGE C[C@H]([C@@H]1CCC[C@H]1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C 261361417 OOAXYFJPTQXWPN-KSWBWTIQSA-N 526.685 10.062 50 10 KKGE Cc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 380087894 KLUUACAOIDMUKP-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Cl)cc(Br)c2)c1Br 380142152 PXOADQALEVLLLY-VIFPVBQESA-N 513.398 7.430 50 10 KKGE BrCC(CBr)(Cc1ccsc1Br)c1ccc(Br)cc1 388738470 IMYMTKWSNCPRHX-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 725389429 SRMHQLZTMCOXRE-MHZLTWQESA-N 560.647 5.484 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)c1OC 725403314 ILCXMPDIFARKOH-UALAUUDGSA-N 541.717 6.612 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 725425769 MIFOUIFVVXXFGP-XMMPIXPASA-N 599.478 5.518 50 10 KKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c(C[C@@H]4CC(c5ccc(OC)cc5)=NO4)c(OC)c4c(c3OC)OCO4)c(-n3cccc3)c12 1081098356 OYCSGRGQZBPCGK-XMMPIXPASA-N 697.770 5.796 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083816845 YUZLCBDCWPRCMA-SMWBDTCFSA-N 620.771 6.056 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cc1 1084013996 XZWKZHPOWAQAKS-UHFFFAOYSA-N 553.254 6.447 50 10 KKGE COC(=O)c1ccc(C)c(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1 1084026553 DTTLHHAXPMBMFZ-UHFFFAOYSA-N 517.585 6.572 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1 1084079976 KSOKDUUTZGSQAW-JOCHJYFZSA-N 548.808 5.488 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(OC)c(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084325566 DYNHLQRPSPFUPF-UHFFFAOYSA-N 533.459 5.586 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1F 1084366036 ROLACTJEHGAGPX-UHFFFAOYSA-N 543.642 7.663 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745742 FZCMNNUWVOAKCM-UHFFFAOYSA-N 563.364 5.497 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(C(C)C)cc5)c(C)c43)coc2c1 1772751722 KXKRWGLLXWQRTK-UHFFFAOYSA-N 511.622 6.726 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc1OC 1772755798 SKXRNVVPLBNTEE-UHFFFAOYSA-N 505.453 6.035 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865688686 YJMRQJYXDUPVBT-JGCGQSQUSA-N 568.677 7.103 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865691330 PPYDLPSNFDINOB-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865696973 MGMXCHVPCKDELP-XMMPIXPASA-N 557.448 6.236 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700998 JLWUIMCNSSYXNS-HHHXNRCGSA-N 527.024 5.953 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1C 1865702722 CKZLSFJNSLMZPU-GDLZYMKVSA-N 573.068 6.791 50 10 KKGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2C1=O 1866619634 JZWOAYXLAMXONI-RUZDIDTESA-N 526.618 5.012 50 10 KKGE CC[C@](C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867034118 CFNQIWHDVIUFIQ-RDPSFJRHSA-N 543.512 5.924 50 10 KKGE CC[C@@](C)(NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046823 RMDUYSGRMOUBOW-JIPXPUAJSA-N 535.695 5.237 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c2ccccc12 1872795268 WLBGTWXVMKHRJF-CJLVFECKSA-N 509.030 8.268 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cc(Br)ccc1Br 1905312723 AQOVGUPJTKHJJX-CYBMUJFWSA-N 516.027 5.204 50 10 KKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)c1Br 1915749281 HUJSUHMVSLMHHB-UHFFFAOYSA-N 507.313 5.636 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]32)c1Br 1924613966 MCASUPGJDXZYNF-DKXJUACHSA-N 507.911 6.908 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)s1 2026222327 XDLUDPMHSMCPGW-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Fc1ccc([C@@H](Br)c2csc(Br)c2Br)c(F)c1Br 2032958766 LTPWIMVCUNIUMC-SSDOTTSWSA-N 525.832 6.798 50 10 KKGE C[C@@H]1CCc2c(sc3nc(C(C#N)=Cc4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)nc(O)c23)C1 2053614305 LANQFBZRUUQBKO-GOSISDBHSA-N 547.640 6.210 50 10 KKGE CC1(C)C[C@H]1CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468590 LKUHJBQAKODYCM-XCBNKYQSSA-N 538.343 7.843 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CCC2)C1 2141469098 RGKDZAARVPQLAQ-ZDUSSCGKSA-N 536.327 7.597 50 10 KKGE FC(F)(F)c1csc([C@H](Br)Cc2ccccc2I)c1Br 2143867288 AGHQPVQENFHCKC-SECBINFHSA-N 539.980 6.813 50 10 KKGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(Br)c(CBr)c2)CO1 2179956022 JKFCIMZBBCXRDT-KRWDZBQOSA-N 517.283 5.102 50 10 KKGE Clc1cc(Br)c(OCc2ncc(Br)cc2Cl)c(CBr)c1 2183581834 QEEGGQUADIQYKU-UHFFFAOYSA-N 504.831 6.387 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCCC12CC2 2206396823 BFUFOHAMWBEQAS-RTHLEPHNSA-N 550.354 7.987 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207102390 KHEABXCTBNUUBO-INIZCTEOSA-N 510.007 6.245 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@H](Cl)Cc1sc(Br)c(Br)c1Br 2209349236 MHELYAPIFAHAOQ-SSDOTTSWSA-N 542.474 5.482 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2ccc(Br)cc2Br)c1 2224055981 SVKCBXHNZWBANG-CQSZACIVSA-N 544.850 6.609 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(C)ccc2I)s1 2241001266 NKQJHCZTUYEVOI-AWEZNQCLSA-N 530.063 6.444 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)cc1I 2269551861 KWCLDBDWJBQKON-AWEZNQCLSA-N 518.947 5.886 50 10 KKGE Fc1cc(Cl)c([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2285841850 WAZXLVCPHNYOTG-SNVBAGLBSA-N 505.834 7.336 50 10 KKGE N#CC(C(=O)Nc1ccccc1F)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296001986 YEOQTKPIKMKJOC-NRFANRHFSA-N 512.393 6.197 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551580 SJPGFQJYSDHNMH-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(Br)cc2Cl)s1 2300954031 RKMPZOQAUAQKLA-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE ClC[C@@H](I)[C@H](CCl)OCc1ccc(Cl)cc1I 2301827145 ZBRWMYXWJLPUJT-MNOVXSKESA-N 519.375 5.111 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2)cc1 2313566939 DWYVQHBNEFHJBW-UHFFFAOYSA-N 516.645 5.929 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313571345 TYIDFIQSMCUTDD-UHFFFAOYSA-N 591.245 7.187 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C1 2314476462 OZWYLNAFXAYWPP-JWQCQUIFSA-N 579.726 5.429 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592703 ABDWNFULXMYUJB-RUZDIDTESA-N 550.511 6.859 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314620130 KEQAADPCSAZJIK-UHFFFAOYSA-N 621.093 6.317 50 10 KKGE CC[C@@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325079468 AFGNTWCXEWEKQR-JGCGQSQUSA-N 518.705 5.947 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OC)cc1Cl 2331377321 JVTOPRAWUJOIRN-UHFFFAOYSA-N 518.378 5.352 50 10 KKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362228235 BQEKMXNCYCDOAC-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE FC(F)(F)C12CC([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363912879 KBQGRIOUIKGJFY-LMDPOFIKSA-N 506.156 6.576 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(Cl)cc1I 2366730572 WRVFTPYLOUWHGN-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE Clc1ccc(I)cc1CO[C@H](CI)c1ccccc1Cl 2380353017 GKFCKXQPXYDYAI-OAHLLOKOSA-N 532.974 6.291 50 10 KKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981817 ADPPUQDQHIYOBG-HXUWFJFHSA-N 504.508 7.108 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Br)c1 38651462 QMSUIVCKUHLRND-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38682947 OXTKJOXUMJFTDD-WJOKGBTCSA-N 504.586 6.385 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 38683813 JHFBNHJTTWNAMF-LJAQVGFWSA-N 514.578 5.385 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NN(c1ccccc1)c1ccccc1 39867596 LPAVPPVCEYLKCM-UHFFFAOYSA-N 514.604 7.714 50 10 KKGE Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815426 KPTWVKYQKNWHSE-JJNGWGCYSA-N 505.618 5.815 50 10 KKGE C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1 97442408 MHNBABDBYLZMOL-IXJPEXDMSA-N 500.407 6.084 50 10 KKGE COc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(OC(C)C)c(OC)c2)cc1 97914902 PBRJQPKDQPKEQX-MUUNZHRXSA-N 531.093 5.639 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCCCCC)c(OC)c2)c(OC)c1 98027969 VDIIPHILKVXDFT-ICJAMGLRSA-N 518.610 5.491 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232710 OURJCJADNDTIHB-VXLYETTFSA-N 560.275 7.588 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100236176 MGAGDFSUQDBCFV-IGGWZVJDSA-N 596.478 6.027 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 101014660 NPLYLPDZXVAVED-KFWCYXQISA-N 607.157 5.952 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Br)cc1)c1nc3cc(Cl)c(Cl)cc3nc12 101067143 HORYZQLMFKGRMV-NPMABZOXSA-N 534.241 5.315 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245934 OEFSZTNYVHIQAD-UZEPBSNMSA-N 502.039 6.276 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246715 SBJBAZXDWXOQCR-XHFMHKHNSA-N 541.673 6.282 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101334965 AOVOKPVLZLZFLM-QNKGDIEWSA-N 590.683 7.219 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101335180 FKKBWXYKRGNIEE-ZMOGYAJESA-N 547.438 6.764 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101336147 FRLUNMLZULUGAJ-PCLIKHOPSA-N 515.013 5.600 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101336596 PQIRSELNKCDREK-OGLMXYFKSA-N 510.553 6.078 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341353 RNWVEZWTTHUCBE-OVVQPSECSA-N 554.672 5.587 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362532 NUCOEZNQJXAYGP-JGCGQSQUSA-N 524.576 6.856 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 101377898 VYNAPCMMXKPRBZ-SSEXGKCCSA-N 547.051 6.892 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389243 DUZCAXYLOSOCOV-MGBGTMOVSA-N 592.667 7.538 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101389378 JVNBTRIYNLDPIC-XIFFEERXSA-N 580.612 6.314 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101393132 CYXPMEAYVFFKBZ-HHHXNRCGSA-N 575.086 7.570 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396106 PDVKEYSDXWYKPP-SANMLTNESA-N 553.442 7.008 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2c1 101398017 FVSUFEABYLZCHS-JGCGQSQUSA-N 625.508 8.681 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5nc6ccccc6s5)c(C)c43)coc2c1C 101619717 ONUCSCQYQRWKBI-RUMWWMSVSA-N 526.618 6.212 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c(Br)c1 101766952 OQIPLNGHOYFJRU-UXHLAJHPSA-N 539.470 6.217 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 102665536 YBDBLNCJYIXFQY-PEZBUJJGSA-N 543.472 7.696 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccc(F)cc1 102935017 WZUVNFFIUYZPKZ-MFOYZWKCSA-N 596.318 6.582 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 103742006 TUQHYVJCHJXINH-XCQFTPQJSA-N 587.326 6.499 50 10 KKGE C[C@@H]([C]1[CH][CH][CH][C]1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(C(C)(C)C)C(C)(C)C 103745168 UDHCWLXATOQMHB-IBGZPJMESA-N 557.519 9.357 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 104989063 KFDLJAKJPPSFRP-BVNFUTIRSA-N 529.656 7.026 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1 105058821 IBTNWDIKNUOMIA-DPNNOFEESA-N 563.437 6.954 50 10 KKGE Cc1ccc(C(CBr)(CBr)Cc2ccc(I)cc2)cc1 118876630 DNIKYWBGWOTKAW-UHFFFAOYSA-N 508.035 5.870 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(I)cc2)sc1Br 128267859 IZGCHPQJIGJESF-JTQLQIEISA-N 536.852 6.362 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 150429466 NSZPZIUSZKLVMT-KVSGHJDXSA-N 640.372 7.306 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433856 YUGUGBUDPGOWDT-HKBQPEDESA-N 692.020 9.585 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1Cl 150441854 YMBVOPLSAZHSRG-XIFFEERXSA-N 631.512 7.482 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485156 SPIBIUJMZBCGMK-MXLTWMDVSA-N 655.578 8.715 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1)c1ccc(Br)cc1 150550978 ZVCZANJOFHYWFI-KBKYJPHKSA-N 659.954 6.720 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1 150566704 RDHSPTTVEQOUGZ-NETRFVISSA-N 636.728 5.263 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 164629115 CJCVEKQGSYEMBQ-VYVUJPJFSA-N 769.986 8.054 50 10 KKGE CCCCCCCCCCCCCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC 201684472 ASJKMTIJQPRJKL-UHFFFAOYSA-N 517.868 8.413 50 10 KKGE N#CC1=C(N)Oc2cc(O)c(C=Nc3ccccc3Cl)cc2[C@@H]1c1cccc(I)c1 252629245 UCCPRCPWWNDJIU-QFIPXVFZSA-N 527.749 5.619 50 10 KKGE COc1cccc(COc2ccccc2C=NNC(=O)COc2ccc3ccccc3c2Br)c1 252636115 XEKDSXQLAHEZJP-UHFFFAOYSA-N 519.395 5.719 50 10 KKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 252637294 XRKZZWGVTWSWGJ-UHFFFAOYSA-N 518.447 6.163 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254386890 XZEIGKKMRMKKOR-UHFFFAOYSA-N 578.672 7.314 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CI)CC[C@]4(C)[C@@H]3CC[C@@]12C 254504548 UZTFVVKXFMOMLY-LIWKOKORSA-N 556.613 8.455 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cc(I)ccc2Br)c1Br 312324297 YFGISBYUEWYHKF-SNVBAGLBSA-N 560.398 7.225 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 504249905 TXHGERUPFAWKNX-YNHLPDPESA-N 583.282 7.235 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 504659441 BBYAQPUKLNVRCJ-LQZXGGKBSA-N 815.162 7.712 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)NC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 607743620 GICOFILPJAFQFK-XXSMREGWSA-N 515.742 7.658 50 10 KKGE CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C 888085233 RSHARCJKDILKNP-RNWVIWQOSA-N 691.243 13.427 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084133225 NGFNJSNQLDSWSQ-UHFFFAOYSA-N 630.391 8.400 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084184900 HKMKXZBJHINZDP-UHFFFAOYSA-N 583.541 5.785 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1cccc2ccccc12 1084356143 PSQOTTAYJRBECU-UHFFFAOYSA-N 503.396 6.344 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084401296 AZXSSCLYYQAKBG-UHFFFAOYSA-N 597.624 5.347 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1 1084404380 YVEJPLPGGXHWDL-UHFFFAOYSA-N 626.566 5.701 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084409599 JYIUWPGKGYDQET-LPYMAVHISA-N 544.995 5.973 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084493514 HMQBTQYGTFPNFC-UHFFFAOYSA-N 610.135 7.078 50 10 KKGE C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084510218 BBJPJWLKOGMBCA-QFIPXVFZSA-N 559.460 6.525 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084547691 ZOAWFAWKDMGXNT-UHFFFAOYSA-N 781.388 7.703 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 1084551582 UKSGOJPKKXERGZ-UHFFFAOYSA-N 558.259 7.574 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(Cl)cc1Cl 1084555339 ZOOWFLAXLKMWMM-UHFFFAOYSA-N 544.869 8.535 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746814 HOJKWJUTDLRAOI-UHFFFAOYSA-N 558.436 5.699 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772756468 ZJTJSQIUJFLCMN-SFHVURJKSA-N 529.464 6.796 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865690257 MTHZERZGAPXUSA-MHZLTWQESA-N 508.597 6.525 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865691858 COGOMNRTGLXWGC-INIZCTEOSA-N 529.357 5.480 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695063 IOSPUYVHQUTMBT-LJAQVGFWSA-N 520.633 6.247 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865696000 WFFRENYLPLIVLH-AREMUKBSSA-N 527.024 6.419 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1c[nH]c2ccccc12 1865700174 MJPSNLGZYHXKPU-DEOSSOPVSA-N 512.400 6.605 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702813 FVRDIELUELOYRV-SSEXGKCCSA-N 552.650 6.527 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705217 OWJWUHHUEOQCFZ-VWLOTQADSA-N 526.980 5.534 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865706723 DENVDGPXQRISGW-WJOKGBTCSA-N 572.112 7.496 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865708546 AXHGZFFEGIPODP-PMERELPUSA-N 571.722 5.365 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780838 ODCWLBMDKWVYBO-VMPREFPWSA-N 559.613 6.565 50 10 KKGE CCCC[C@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866932612 NOEKYGIIBFJBCL-SANMLTNESA-N 549.071 7.057 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2cccc(Br)c2)cs1 1872784327 KQOYKPSSWFSNNS-UDWIEESQSA-N 507.840 7.869 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2csc(I)c2)c1Br 1922928542 ADHSTAHGBVWPLJ-MRVPVSSYSA-N 512.457 6.576 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)Cc1ccccc1I 1923065528 DMNJKMPKJRVZEI-ZETCQYMHSA-N 585.324 7.210 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923066018 KQIUGSNLVYQRPR-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE C[C@@H]1[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568874 MWUIVVPFEAIHQX-ZBCLXGQLSA-N 503.826 6.373 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)sc2Br)c1 2028923369 IQQHCNHSUXDAQG-JTQLQIEISA-N 521.869 6.967 50 10 KKGE CCC(F)(F)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492828 SHGKWUKNXMTSLM-SSDOTTSWSA-N 534.258 7.452 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Br)nn(C)c2C)c1Br 2138849232 CZKNSYHIYFPSBR-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE CS(=O)(=O)c1csc([C@H](Br)c2ccc(Br)cc2I)c1 2142277405 PIDVLLRXEWNEQP-GFCCVEGCSA-N 536.048 5.003 50 10 KKGE C[C@@]1(C2CC2)CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2154374462 XCVAQLNXLUHCJH-QFIPXVFZSA-N 512.717 6.488 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2206399771 LJAXPAIMKPZXTO-NSHDSACASA-N 659.634 7.200 50 10 KKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273903 XVFTXHCNRWSCIF-ZYHUDNBSSA-N 515.027 5.222 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(Br)cc1Br 2229147737 NHYQDWJSYIEQGM-GFCCVEGCSA-N 532.295 7.306 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)c(F)c1Br 2236110117 PFBBCJMQUXTOLB-LLVKDONJSA-N 584.793 6.718 50 10 KKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 2278183137 MWTQLDZYQZWJAB-ZETCQYMHSA-N 547.879 6.534 50 10 KKGE C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2295196143 XSLCAMPVVCGIBH-IVZQSRNASA-N 522.270 6.937 50 10 KKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 2297295797 JUYLFDUFVYXNQM-SANMLTNESA-N 555.428 6.117 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518870 XKHIKJGHFMPXAA-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(F)cc1 2313570836 HCLHUTXRJPRYPF-UHFFFAOYSA-N 550.211 7.028 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F 2313630766 RUNDFPLNRABXRZ-UHFFFAOYSA-N 501.583 6.161 50 10 KKGE CCn1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2314496135 YKQATZHKOICQOM-GOSISDBHSA-N 529.070 6.491 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591842 GAKAQFKRWZOPSZ-VWLOTQADSA-N 536.484 6.929 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592249 OXZKDATXDIXDEH-LJAQVGFWSA-N 539.701 6.720 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331260212 PPZNXQHTQFDYKZ-VWLOTQADSA-N 521.598 5.827 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360426389 KWWHWWHILOEBEZ-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE COc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1Cl 2365842876 NLSQDPMFVATZCC-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE COCc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2367825756 RTLDGMFTBCKEOG-ZDUSSCGKSA-N 568.350 7.273 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc2c(cc1Br)OCCC2 2369629687 OUOKXKIOTVDDEB-CYBMUJFWSA-N 501.465 6.689 50 10 KKGE COc1ccccc1C(=O)c1cc2c3c(c1)/C(=C(\C#N)c1nc4ccccc4[nH]1)C(=O)N3C(C)(C)C=C2C 22822523 YZWGGMBLNOEBAI-ROMGYVFFSA-N 500.558 5.779 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678726 BEVLLAINSPPQEY-DEOSSOPVSA-N 505.368 5.674 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 38700627 ZCQLYVGQRRPFAB-NDEPHWFRSA-N 522.557 6.060 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc6c(c5)OCO6)c(C)c43)coc2c1 40826874 SGYTXKGGEBUFIR-AJBULDERSA-N 513.550 5.331 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 97442291 RXNGESMYTCFYOO-JWGURIENSA-N 523.658 6.741 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccccc1 101013284 PEJKVAFSTGHGJK-RRAHZORUSA-N 558.685 5.052 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101241569 WXDCPQLMYXSRCW-AEPTXUNZSA-N 500.451 5.845 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101245048 MGYULIWKJNDLGF-SCHJHDHGSA-N 550.511 7.490 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 101304951 KRSQQROXEUUWFW-OGLMXYFKSA-N 541.611 5.600 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101314492 UUKYBYQZMFPQJU-HXUWFJFHSA-N 544.432 5.149 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101340433 KBSNKYWIQNUZNX-CVKSISIWSA-N 577.572 5.778 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1 101367457 BRSRGCNHAYYNTO-XIFFEERXSA-N 554.602 6.865 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101372174 OFZPWRTVESUPEU-SSEXGKCCSA-N 588.657 6.117 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 101374596 WOACXUYRRKEXHL-SSEXGKCCSA-N 563.050 6.510 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 101375619 FJZHBOCZDOBAHH-HKBQPEDESA-N 561.078 7.064 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc(C)c1Cl 101382938 YHXPXMJJEZDFBR-HKBQPEDESA-N 601.486 7.392 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383159 ROAQTRCRAVCYBZ-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384208 PQPCRNCTVNRRNC-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101385064 RJCOKVMCVMDMIK-HKBQPEDESA-N 587.459 6.947 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101388320 HDUQTZJQFZPFHE-PMERELPUSA-N 571.004 6.894 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1F 101388973 LSDJKJONLSKQMU-YTTGMZPUSA-N 626.637 6.267 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101392807 JZDYEUQGINTSGP-QFIPXVFZSA-N 587.868 7.316 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)cc1Cl 101394219 GTJPLHSDXAXUGQ-HHHXNRCGSA-N 583.468 7.017 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4F)cc3)c(C)c2c1 101397797 ABCMPIOSAVQUAD-JGCGQSQUSA-N 574.608 7.459 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1 101399777 PUVYRXDZLYBYQG-JGCGQSQUSA-N 621.045 6.861 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1n[nH]/c(=N\C(=O)c2ccccc2)s1 103221358 HDRUZLBAKMYWFV-UNOMPAQXSA-N 530.440 6.586 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741384 BUPJSHNQONTXLZ-GMQRBVGNSA-N 536.245 5.201 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(I)cc1 103876842 JGGKZRALEKGEGK-CCVNUDIWSA-N 619.253 6.542 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1 150382793 OPQZCDFKUMXYPC-MGCJZSHXSA-N 637.268 5.295 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150482168 REQLELYCCHFBBT-MUUNZHRXSA-N 642.322 8.325 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 150483792 BDJGHHJITMHXIM-PMERELPUSA-N 651.930 8.070 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1cccc(Br)c1 150574233 DEBDWEIEENKVDF-MHDJOFBISA-N 628.306 7.327 50 10 KKGE O=C(c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(C(=O)c6ccc7c(c6)C(=O)OC7=O)c4)C5=O)cc3C2=O)c1)c1ccc2c(c1)C(=O)OC2=O 164055808 DNJBHEAJPVBSIP-UHFFFAOYSA-N 808.667 6.163 50 10 KKGE Fc1cccc(Cl)c1C[C@H](Br)c1cc(I)ccc1Br 236143890 COCPBNOAWCAGFJ-LBPRGKRZSA-N 518.389 6.525 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)c(I)c1 236182320 NSCSFFSGXJPCLR-CQSZACIVSA-N 511.954 5.612 50 10 KKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1cc(-c2ccccc2)nc2ccccc12 245225847 TXUSLYIBNKZXFH-UHFFFAOYSA-N 536.429 7.007 50 10 KKGE O=C(NN=Cc1cc(Br)c(I)o1)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 252642888 ZQKHBYNWPBMKLI-GKOWBBTNSA-N 590.215 5.124 50 10 KKGE CCN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C)c1cccc2ccccc12 256019396 YZMANDHQSBZXDZ-VOQZNFBZSA-N 558.152 6.879 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3ccc(I)cc3)c(Br)cc2N1 380282909 QNAIVRQRRXVZPW-HNNXBMFYSA-N 506.963 5.033 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 504815100 GXEGXEJUOLHCLH-CCAYSZHESA-N 750.270 13.563 50 10 KKGE in-vitro O=C(NC1CCCC1)[C@@H](c1csc(C(F)(F)F)n1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238013 OMSRPRXRTKPEPD-MRXNPFEDSA-N 513.891 5.553 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1083894906 LVOWEYRKWRTPRF-UHFFFAOYSA-N 520.177 5.132 50 10 KKGE CC(=NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)C(c1ccccc1)c1ccccc1 1083933186 BOKUOOCMBLXDIR-UHFFFAOYSA-N 503.646 7.174 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1C#N 1083989117 IAVFYKJXIRETPQ-PCLIKHOPSA-N 527.024 5.445 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 1084031587 HSOUXJVNGWFYMW-OAQYLSRUSA-N 505.796 5.725 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc(Br)c1 1084112563 GUBIWUFWEXLZSC-UHFFFAOYSA-N 558.310 7.086 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 1084291498 OYPXVALFCHVXRK-DEOSSOPVSA-N 514.981 5.429 50 10 KKGE CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084299674 ODVVRBKGHLFTJQ-NTUHNPAUSA-N 575.186 5.094 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)cc1 1084405907 VJNRMUSUXSQNRE-UHFFFAOYSA-N 551.488 7.387 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1 1084483933 CFKOISJTLMCREQ-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC 1084566757 NHRZDKUYXCZBST-UHFFFAOYSA-N 643.593 5.802 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 1084567533 FURPCMMHLREJPU-ZXVVBBHZSA-N 552.472 6.437 50 10 KKGE CN(C(=O)Oc1ccccc1)[C@@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088692086 YIVCULFJXAOEHK-OAQYLSRUSA-N 516.451 5.306 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)ccc1Cl 1772747304 MTJPRHWDPCADNT-UHFFFAOYSA-N 516.779 5.397 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750275 YOOPYDBRLJXATG-UHFFFAOYSA-N 588.447 6.888 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Br)c(C)c1Cl 1772756524 LHGFXEPJODOAPG-UHFFFAOYSA-N 536.253 6.481 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681153 GFPDMORVCHRCOT-XMMPIXPASA-N 533.415 6.228 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688187 MSCIUHKBKSHJSZ-NDEPHWFRSA-N 532.575 6.126 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc(Br)c1O 1865688404 RETDYMQYCKYHDU-KRWDZBQOSA-N 535.320 5.035 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690089 IOVTZMQLUKDFGZ-LJQANCHMSA-N 523.342 6.595 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865694048 OOWNODZMIBEQSO-MUUNZHRXSA-N 506.606 5.939 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865694074 UBVPJXSAXLWMOT-SANMLTNESA-N 522.605 5.872 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCCCc1ccccc1 1865697158 OJDVKEANGGWELX-HSZRJFAPSA-N 526.559 5.796 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865698471 UUFJIDJOEVXJKM-QHCPKHFHSA-N 517.372 5.835 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1c(Cl)cccc1Cl 1865703642 XTZYXYOYGFDTKJ-AREMUKBSSA-N 562.457 6.332 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865704526 XZDJPOQELUNIDR-AREMUKBSSA-N 572.974 7.495 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704541 YGXDGFUAOWEZGR-MHZLTWQESA-N 579.915 7.641 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 1865705046 KWQYPILEOVHALE-RUZDIDTESA-N 506.562 5.406 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706359 USIMZZYBPKPDRE-MHZLTWQESA-N 522.605 5.558 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711882 KPVPEZJLVOHFJI-GDLZYMKVSA-N 510.597 6.645 50 10 KKGE N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1c(Br)cc(C#N)cc1Br 1866130912 SDWXUOLXWIBCSQ-UUILKARUSA-N 509.983 5.391 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc(Cc3ccccc3)n2)cc1 1868207418 MPCBEFSVFFIOPG-UHFFFAOYSA-N 528.081 7.085 50 10 KKGE F[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898078622 PYEPEZVDPWIVFA-NDOLSLFOSA-N 500.225 6.375 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cccc(F)c2I)c1Br 1922895717 YNTOBCNNERQWCH-SECBINFHSA-N 524.418 6.653 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c1 1939523271 DDTYEEOFPYCMNI-GOSISDBHSA-N 517.080 7.336 50 10 KKGE CCc1sc(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 2030222687 RRIXKHZRHIRAQI-ZDUSSCGKSA-N 520.455 6.768 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC(C3CCC3)C2)c1Br 2056677037 HLASIMRZKORRBO-SFVIPPHHSA-N 521.938 7.298 50 10 KKGE BrCc1ccc(Br)cc1OCc1cccc(Br)c1Br 2092332968 LOVHTIOEBZVZID-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(I)sn2)cc1OC 2120033377 SHKGCHJYYUCZJD-GFCCVEGCSA-N 518.996 5.012 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1scc(Br)c1Br 2138245037 ABGZQAKZDRHSNC-SECBINFHSA-N 554.323 7.182 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206394149 FLZLBBNXHYDILM-NSHDSACASA-N 720.511 8.746 50 10 KKGE Cl[C@H](C[C@@H]1CCC[C@H]2C[C@@H]21)c1c(Br)c(Br)cc(Br)c1Br 2206395665 PIASGMAGUFKWKX-PHGLEFOZSA-N 550.354 7.843 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1 2206402910 DZWVCAITVPHPIG-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)s2)c(C)c1Br 2220157964 MWXYCCASZNTHPN-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1cccc(Br)c1 2225634954 RWDKAIJAAJALQL-NSHDSACASA-N 515.840 6.792 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1csc(Br)c1Br 2285061385 BMVRFWUYJWLQFF-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE CCOc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCCOc1cccc(C)c1 2293218360 QXUMAXSJZKRLSD-UHFFFAOYSA-N 505.578 5.555 50 10 KKGE N#CC(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2296500484 RGPLNNAUZUAFRB-UHFFFAOYSA-N 543.479 7.589 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OCC)c2)sc2c1CCCC2 2296659710 QVCMQWYBCBGUPA-UHFFFAOYSA-N 530.646 6.327 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 2297464064 SJZQXTADPIEMBT-UHFFFAOYSA-N 506.631 5.826 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630333 GKJGBDGFDHNDNE-UHFFFAOYSA-N 508.430 6.930 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccco4)s3)o2)cc1 2314432907 HJHBENMMEROLKR-UHFFFAOYSA-N 549.608 7.465 50 10 KKGE Clc1cccc(Br)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314441012 VGDJYGGBIZXOFR-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc(C)c1C 2314487086 GPDNCJGYDLFXPV-UHFFFAOYSA-N 526.618 5.949 50 10 KKGE O=C(CCCCCN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 2314487712 IBVPQEMZGXJNLQ-UHFFFAOYSA-N 565.186 6.389 50 10 KKGE Cc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314496828 FQXVOMHXLYWAIK-NRFANRHFSA-N 527.627 7.269 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592855 CVEMKBHPDGQINQ-NFQMXDRXSA-N 530.093 6.767 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314610104 CQBNJBGNFUVDGN-UHFFFAOYSA-N 542.639 6.429 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314616584 FCTBOBVLFKZJEK-UHFFFAOYSA-N 502.549 5.513 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314616957 NWGXJDUKZQMWJK-UHFFFAOYSA-N 633.661 5.698 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620725 TUQCJHKIHUQNLI-UHFFFAOYSA-N 516.956 5.859 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634447 TWHJDEDZKHYUIC-MUUNZHRXSA-N 549.410 6.404 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634859 WSLPELBYFZFKGY-MUUNZHRXSA-N 535.427 7.009 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C(=O)OCCc2ccccc2)c1C 2329674108 YHPRCCWJFBXETI-UHFFFAOYSA-N 506.555 5.318 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331242783 KRJQSLHSQOPGKQ-CMJOXMDJSA-N 503.580 5.331 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331260222 QGGYEXZWHALREJ-OAQYLSRUSA-N 505.621 5.338 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)c(OC)c3)n2)cc1OCCC 2331293519 UPLMIKBILLSWTO-UHFFFAOYSA-N 506.624 6.911 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)c2ccccc2)cc1 2331373315 ZCYPADHBTTYEHU-UHFFFAOYSA-N 508.643 7.868 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 2331376281 QKFUMNOAQYZMIB-QFIPXVFZSA-N 519.648 5.646 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c(OC)cc1Cl 2331377338 MGJBXMIIJOLELH-UHFFFAOYSA-N 512.031 6.264 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331394530 QZPZNCVJLJDXOT-QFIPXVFZSA-N 503.649 5.946 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336087124 USNUDXNNOZLUGN-HXUWFJFHSA-N 502.580 7.444 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359121258 RYHQUGMIFLCIGG-FLNNQWSLSA-N 596.777 6.988 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 38605567 WNDRPNDMYVAAEK-MFKUBSTISA-N 526.612 6.106 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OCC 38679287 UYUIHIOLSAIXBD-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 58988918 JPRJONLYGGDKLG-NJZRLIGZSA-N 508.651 5.556 50 10 KKGE COc1ccc(CC[N+](C)(CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)CCSS(C)(=O)=O)cc1OC 72132776 WUWCBXBAYBCKCW-VETVTEPKSA-N 593.832 5.301 50 10 KKGE in-vitro CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc(C)c1C 101033300 GPDNCJGYDLFXPV-RCCKNPSSSA-N 526.618 5.949 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246342 IMRIBLHVMGKONI-NNHPPCHPSA-N 536.484 6.984 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101338689 HUWSSNRZIPYGFO-STBIYBPSSA-N 534.660 6.417 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101367898 LBJHCAGPZBDYAT-AREMUKBSSA-N 549.967 5.873 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101375634 KADMNCAKONBQPI-HKBQPEDESA-N 577.077 6.900 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 101376075 ICPACGAVOXYJHX-MUUNZHRXSA-N 529.549 5.222 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379290 MODJWXNCTGCVLU-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380438 YDSSZFOUEGNLPV-MGBGTMOVSA-N 578.640 6.905 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381160 GFWPQXGWYKSWOL-LXOQFAHRSA-N 603.889 8.063 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101386678 XCULBQIWGOZNEZ-LJAQVGFWSA-N 591.422 7.157 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(F)cc1 101387126 YXPXGYCHEBCFFG-WJOKGBTCSA-N 612.610 5.876 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101393078 JRDSEAAVLJOANY-SSEXGKCCSA-N 552.627 6.929 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccc(F)cc12 101397810 BHJPPNDWFUCWQL-PMERELPUSA-N 564.544 7.036 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 101702316 UHPPMOMMPVOIBU-IXOWOOARSA-N 538.556 5.204 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1Cl 101727542 BVPDLILHFNGMKE-AMVVHIIESA-N 572.539 7.337 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1C 102933267 GBDQIPXQGRFLAH-NVMNQCDNSA-N 585.354 5.347 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103741676 ZXUGSNWEWQWCGG-FNBPXTNNSA-N 538.854 6.167 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C4=NN(c5ccccc5)[C@H](N)[C@@H]4C#N)c3C)sc3c2CCCC3)cc1 103871564 NWVYKBFLVZHNGV-SEPYJMRISA-N 599.764 6.803 50 10 KKGE O=C/C=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 106697926 CUXBFMXZUCCELK-HNQUOIGGSA-N 542.107 6.683 50 10 KKGE CCN(CCOC(=O)CCCCC(=O)OCCN(CC)c1ccc(C=C(C#N)C#N)c(C)c1)c1ccc(C=C(C#N)C#N)c(C)c1 111867997 PDOOQWTZCPNMLF-UHFFFAOYSA-N 620.754 6.164 50 10 KKGE CCCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920700 HOLIBVBKAUVEFC-MWOPRKSGSA-N 563.705 9.893 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1ccc(I)cc1 125766326 OFHZKZVYEPKWQU-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 150382997 PHPCHFUHXOHZRH-OADPBGPJSA-N 766.155 6.043 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(I)cc2)cc1 150428081 QHCKFLWPLREWFA-WGNDPNKDSA-N 637.312 5.995 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 196449170 ZATGYRPVDYINRF-BBXFGWPUSA-N 660.840 5.211 50 10 KKGE biogenic CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214322601 KAVPBWMFNDNGGR-VUMGZPTDSA-N 536.632 5.408 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)cc1)Nc1ccc(F)cc1 254590144 VHXRSUXBPMCQJJ-UHFFFAOYSA-N 513.594 5.899 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254625110 VSWQHWWIIKYDNH-OAHLLOKOSA-N 664.811 6.394 50 10 KKGE COc1cc(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)ccc1OC(=O)/C=C\c1ccccc1 254712204 CKHLKBHLHDLJHE-NAABXENSSA-N 522.557 5.248 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 312392114 SXQJIKXPSNKSSS-CQSZACIVSA-N 511.954 5.612 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 504672032 RWIUJRXXJFJUFX-ZFOKTMFVSA-N 701.893 5.876 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591275 XORYGFNCJVGENP-USSYEKKHSA-N 795.014 9.608 50 10 KKGE COCO[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OCOC)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 725239011 IWNJMTRACSXNRV-UUJYJZFCSA-N 747.190 10.251 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1 725416188 XJZKZMJRUXJKNE-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083817653 WUUPISRMPWBNRI-YHDXKVKFSA-N 744.913 6.611 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)cc1 1083942018 OQDVMWXLRWIPDZ-VWLOTQADSA-N 573.459 5.929 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 1084045634 DBUMWGMOZPQZMN-UHFFFAOYSA-N 691.431 6.998 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2)c(I)c1 1084054785 YEUJSSPDUSRCAE-QFIPXVFZSA-N 593.259 5.597 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1F 1084086404 RDJIOWJCTHZLMI-JAIQZWGSSA-N 556.375 6.180 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084120559 WPIZUDQPBCMWJL-UHFFFAOYSA-N 699.093 6.814 50 10 KKGE COC(=O)c1ccc(C)c(-n2c(C)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 1084335880 SFSRLBJWMYAFEA-UHFFFAOYSA-N 508.372 5.462 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1084394873 HZVJMIDKBHEEKF-DEOSSOPVSA-N 603.413 5.141 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 1084425110 LKDVRWCXMUZTOZ-LJAQVGFWSA-N 557.488 6.874 50 10 KKGE CN(/N=C1/c2ccc(F)cc2C[C@@H]1N(C)C(=O)c1ccc(F)cc1)C(=O)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 1614015120 BDLQXOMZHAZHAR-ZIYCZIQWSA-N 735.588 7.954 50 10 KKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)cc1 1772744921 OFICYJKHVXYZRT-UHFFFAOYSA-N 527.362 5.224 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2cc(C)ccc2C(C)(C)C)c2cc(Br)ccc21 1772752397 FAYDVRBNBJPSLT-UHFFFAOYSA-N 514.464 5.491 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1772755609 OCUGTVDVVOEDAF-UHFFFAOYSA-N 566.279 6.435 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1865686697 YSEBGQYWYJMVDJ-NRFANRHFSA-N 525.798 6.916 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865691393 QSMKHCVHWWHBCF-SFHVURJKSA-N 507.299 5.981 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865693429 OGHRXRVBVIRSLF-SANMLTNESA-N 507.594 5.730 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693834 ZRLHNHBIWDKQFF-XMMPIXPASA-N 579.440 6.099 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700915 HOSOUPLSWGRKLK-SANMLTNESA-N 551.861 6.997 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1cc(Br)cc(Br)c1O 1865701247 QDDZOWACXHSPLA-LJQANCHMSA-N 565.225 5.383 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704294 SABBELWWPXSOMY-AREMUKBSSA-N 531.443 6.929 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704339 SWTZWMQKBISBTN-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704829 FOSSYBFORWQVOB-SANMLTNESA-N 545.014 6.405 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705398 UTAPQALFQRJKDZ-AREMUKBSSA-N 510.569 5.751 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710817 JFNXNQQETLLFMV-QHCPKHFHSA-N 520.486 5.983 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2nc(-c3ccc(Cl)cc3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866667372 NZPCMBFBISMANV-HHHXNRCGSA-N 589.073 5.711 50 10 KKGE CC[C@H](C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866958122 XTUWYCJYDLGJFE-UIOOFZCWSA-N 536.053 5.698 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)CC1 1868341957 FKJMNJBBCBZKSU-UHFFFAOYSA-N 501.660 5.376 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456420 NVVVQWILXSUDFR-FQEVSTJZSA-N 511.582 6.322 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](c4ccc(F)cc4)O[C@H](C)C3)n2)cc1 1868528151 NXRGHFXVEZTNOQ-NFQMXDRXSA-N 541.652 6.965 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(C(C)(C)C)c1 1872753781 MNPATNXIRTURIU-PNHLSOANSA-N 512.631 7.780 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1C 1873496114 DBZAXJQDONWJBG-RWPZCVJISA-N 513.648 5.708 50 10 KKGE Cl[C@H](c1cccc(Br)c1Br)c1sc(Br)cc1Br 1922883639 KPXBYSRKCPXUCZ-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923065737 GZFPLUVDVCRXSX-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595133 VAPAVHRNBNTOII-CAHLUQPWSA-N 545.938 5.439 50 10 KKGE Cl[C@@H](c1cc2ccccc2s1)c1c(Br)sc(Br)c1Br 1924601528 YDSVBTKPQXZGBO-NSHDSACASA-N 501.490 7.579 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2(CC3CC3)CC2)c1Br 2015725547 KOXOFHKHUUQFHK-SECBINFHSA-N 507.911 7.052 50 10 KKGE Cn1cc(Br)c(COc2c(Br)cc(Br)cc2CBr)n1 2087325998 XOFNDOWDTZHUFU-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE Cc1cccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1I 2094673890 PPAGTVYJJQGKNK-ZDUSSCGKSA-N 512.048 6.785 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Br 2111087478 URHWMXBRLANDGF-LLVKDONJSA-N 552.351 7.790 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1)Cc1cc(Br)ccc1Br 2175147786 RPBHEPIWMOAOMV-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)ccc1Br 2197757678 VISZDFZVLMZAPF-FQEVSTJZSA-N 517.283 5.104 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399816 LVPLFCHBIOCNJL-NSHDSACASA-N 659.634 7.025 50 10 KKGE O=C(Nc1ccc(F)c(CBr)c1)c1ccc(Br)cc1I 2207266500 FNDDXWBURRSHOK-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2225634408 OQXRDMMYDULJPV-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2226087767 GKKAMYILNPRVDE-JTQLQIEISA-N 528.318 8.026 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)s1 2233034502 ABHSFNIUZIRQCC-ZDUSSCGKSA-N 550.481 6.742 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2234064076 DQGGYYHRQWPLQE-UHFFFAOYSA-N 511.689 6.180 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Br 2235605726 TUXQSTJDPVBICP-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c1 2293198478 YDXANMUDTQGVCO-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 2295672616 BILOWWYBPKIEHP-UHFFFAOYSA-N 553.080 7.225 50 10 KKGE Cc1ccc(CBr)cc1NC(=O)c1cc(Br)ccc1I 2296126819 QMVQYDXIZOQNOG-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE N#CC(C(=O)N1CCCCCC1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507076 RRFHAMTYWUFDND-OAQYLSRUSA-N 500.451 5.822 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790040 KNLOCORNTCJCHA-OAQYLSRUSA-N 519.736 7.793 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1sc(Cl)cc1I 2300953974 QPUIJRJDZLFMQC-JTQLQIEISA-N 512.940 6.078 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Br)cc1 2313518161 OFSBZJPFSISRNI-UHFFFAOYSA-N 584.308 7.352 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1 2313566798 AMUIGCYVGDZGLM-UHFFFAOYSA-N 560.492 5.991 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2313571469 XCYMMKVCIPUSDX-UHFFFAOYSA-N 531.779 6.478 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592655 ZOWXBMWAQBNRSY-SANMLTNESA-N 566.510 7.190 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 2314634392 MAQXVRDVEZFLIL-SSEXGKCCSA-N 520.972 6.969 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 2314643305 PARPUYFXPAJXQZ-XIFFEERXSA-N 597.042 7.294 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337093323 CTIOMAUQYTWUFC-VIFPVBQESA-N 540.250 5.984 50 10 KKGE Cc1ccc(C(CBr)(CBr)Cc2sccc2I)cc1 2338748294 ATOXJTOHJWNEAV-UHFFFAOYSA-N 514.064 5.931 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1I 2339648026 HDCPQOPZRCGKLZ-LBPRGKRZSA-N 562.840 6.748 50 10 KKGE CC1(C)CCC[C@](CBr)(Cc2ccc(I)c(Br)c2)O1 2349839476 HVXWOXUXPYUCJS-OAHLLOKOSA-N 502.028 5.709 50 10 KKGE O=[N+]([O-])c1ccc(CBr)c(Oc2cc(Br)cc(I)c2)c1 2364104776 BZGDGDKGYRIWBZ-UHFFFAOYSA-N 512.923 5.649 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974895 JGLONJHNAQIMKF-RGEXLXHISA-N 505.552 5.753 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1C 2946039 RYCIGFYGOJIBPF-PCHPKZPRSA-N 508.018 5.249 50 10 KKGE CCCN(C(=O)[C@H](Cl)c1ccccc1)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 16426661 PEWVNASHGBUZOO-CLJLJLNGSA-N 504.030 6.064 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 38605544 YMQLMXUIKARTKM-CVKSISIWSA-N 508.622 5.883 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 38657075 XJPDQQKKWGFYJQ-MUUNZHRXSA-N 514.578 5.204 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1OC 38659001 AXESFACHDCTRQJ-DNOBIOAJSA-N 514.578 5.418 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 38660139 OYSGCIRCFCESEO-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)c1 38683929 GICUHNAPNPUOOK-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCCCC)cc3)ccc21 38686116 NBSJVDYKQTUVDW-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1 59304921 GOFZKRLACARLOP-MUFRIFMGSA-N 503.396 6.575 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 59500499 WXDWLVXFEJEHBD-NTFVMDSBSA-N 522.399 5.417 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1ccccc1[C@@H](C)CC 100094294 JOGYJPNKQKUSPD-DQEYMECFSA-N 596.769 5.197 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244144 DEWFBDJFUPVXER-MMMMHFDZSA-N 516.066 6.261 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101246006 MEJWNGABPMEUCY-PDRDJSIMSA-N 537.729 7.526 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101303402 JDMIVHAVGDUBCA-NDZAJKAJSA-N 540.623 6.205 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337425 SRKONVPDPFDKGP-TWDAMHRMSA-N 528.612 6.291 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 101378608 WZSUMDKFCFQFOD-IVCMUHMXSA-N 570.689 7.709 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383291 CWRFYWLZMPLBMF-PMERELPUSA-N 583.984 6.030 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385192 ONRHCBYHZFUCDC-JGCGQSQUSA-N 566.585 5.924 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388332 UUKVMDYYQYANOZ-RIPCNWKXSA-N 625.121 7.471 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389226 PLDQQZHCXSABPG-HKBQPEDESA-N 550.586 6.549 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389789 IRQHBYZWPMWJLD-SSEXGKCCSA-N 621.904 8.062 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399063 UBQMRZJPMPNGRJ-XIFFEERXSA-N 621.089 8.036 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1 101766760 IBBINXFHGYURFB-ZCTHSVRISA-N 553.497 6.644 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 104991734 OPIAJIZJMPKKDY-BVNFUTIRSA-N 546.111 7.540 50 10 KKGE O=C(CC(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)N/N=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 105218374 LYNZMQCPKBLLAI-MAUHNLBQSA-N 617.445 5.422 50 10 KKGE O=S(=O)(Nc1c(Br)cc(Br)cc1Br)c1ccc(CBr)cc1 115917505 RJBGTRDPLFUIOW-UHFFFAOYSA-N 562.903 5.670 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411439 KWKJRQBQNMNXAO-DTNLCIQKSA-N 701.204 6.688 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1F 150462638 GWXSSYHXWUEDGA-WJOKGBTCSA-N 655.476 7.668 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1cccc2ccccc12 150632765 IJWVLCYAYFZDHT-UNOMPAQXSA-N 620.843 7.327 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc2ccccc12 163744114 VIYLQSRFFJPRHK-NLRVBDNBSA-N 629.498 6.288 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(I)cc1 164607157 PGVNSRIDRYRTRY-GUBAARJWSA-N 651.548 8.129 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C2=O)cc1OC 214372545 HPHOHODQCYEPEB-RGXNXFOYSA-N 630.745 6.735 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2=O)cc1 214398984 DMDJIUMXQPJHCE-CEUNXORHSA-N 544.611 5.391 50 10 KKGE Clc1sc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 236044300 MYGPKSGMSNPRFJ-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1cc(I)cc(C)c1OCC(=O)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 252623116 OKOCYAGMPSBWQK-LEYJUDPYSA-N 623.241 5.411 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)C(F)(F)F)c1 254295911 UAQOOLIYKWWLES-UHFFFAOYSA-N 510.903 6.210 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3OC(=O)c3ccccc3)cc2)cc1 254310720 FXCQLDLENSZLBE-UHFFFAOYSA-N 633.682 5.998 50 10 KKGE O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN=Cc1ccccc1OCc1cccc2ccccc12 254630371 IWSGBEBRNMIGFP-UHFFFAOYSA-N 521.602 5.215 50 10 KKGE CCN(CC)c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 254772598 ZSZQKGHAVORKKZ-UHFFFAOYSA-N 507.634 6.455 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1OCc1ccccc1 254875259 SOULRPZDIRXSCW-MUUNZHRXSA-N 571.515 7.212 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591093 WUUPISRMPWBNRI-KDQKUDGDSA-N 744.913 6.611 50 10 KKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(I)ccc2Br)C1 693890272 HJUANBUAQQBPAH-KOLCDFICSA-N 515.027 5.126 50 10 KKGE BrC[C@H](COc1c(I)cc(I)cc1I)C1CC1 701863529 RWPVEWQFEFYDIA-MRVPVSSYSA-N 632.843 5.300 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl 725421508 GNILGSBGNHRGAB-WOJGMQOQSA-N 546.248 7.279 50 10 KKGE CO[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@@H]1OC(=O)c1ccccc1 1073349395 IFRGECCZBIKYKQ-KZKUYZQISA-N 868.944 9.731 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(F)cc1 1083943442 YIVZLSVRJPAPRK-CIAFOILYSA-N 548.412 5.923 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083957442 MMJZZWBHNUSNDR-CIAFOILYSA-N 556.287 7.918 50 10 KKGE COC(=O)COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084194677 JETFVBKCHHSGGQ-UHFFFAOYSA-N 546.421 5.531 50 10 KKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 1084292339 MWORBRBZSVJBAO-JOCHJYFZSA-N 639.561 5.595 50 10 KKGE Cc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 1084293912 XCMOZWRXRLPQEZ-UHFFFAOYSA-N 521.580 5.656 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614617591 RNKPUVKCIOJQFI-CRAIPNDOSA-N 557.272 6.511 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749012 GGZYQOCFFVIHDA-UHFFFAOYSA-N 612.251 5.987 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5nc6ccccc6s5)c(C)c43)coc2c1C 1772751865 ONUCSCQYQRWKBI-UHFFFAOYSA-N 526.618 6.212 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 1775956580 CXIGRSVIJKSIQL-GQNVNYSGSA-N 500.928 10.418 50 10 KKGE in-vitro CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2/C(=C\[C@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848433047 OFDIKJKJPJTORF-VGSUKVEASA-N 705.251 11.282 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696125 CQYLOOWDOGENIC-XMMPIXPASA-N 513.425 5.952 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865696684 QDPIMKIGHWKQSU-SANMLTNESA-N 562.592 7.230 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 1865697490 URQJCOLMHHBQFH-JOCHJYFZSA-N 578.294 6.323 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(Br)c2O)c1 1865700954 IFNFJTLOGKWKRZ-FQEVSTJZSA-N 544.247 5.305 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865702398 UZJDLCCHIZDCBS-JOCHJYFZSA-N 570.249 7.025 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703122 NJALZIPAOMOOSN-MUUNZHRXSA-N 575.496 7.327 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866746364 OOHGLHZLBXAVRQ-KYJUHHDHSA-N 559.801 7.570 50 10 KKGE C[C@@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867183541 DENWHKGGUYNPSO-DFBJGRDBSA-N 524.111 6.464 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](O)C[C@@H]3c3ccc(OC)c(OC)c3)n2)c1 1868505528 HLAZLVHPNJQWAQ-ZEQKJWHPSA-N 569.687 6.189 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2C(=O)c2ccccc2)n1 1872754342 OCURCOZTPYHNCR-GFMRDNFCSA-N 507.398 7.306 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1c(Br)cccc1Br 1923037484 DHJADACLMRKXEZ-QMMMGPOBSA-N 558.742 7.780 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924571655 TWEZJOLESDQGGE-ZETCQYMHSA-N 528.289 5.860 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2c2ccccc2)c1Br 1924596968 WCHDRCUWGQABEQ-FXPVBKGRSA-N 529.917 7.275 50 10 KKGE Cc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)sc1CBr 1984647312 WYVGORXQCMLRPS-UHFFFAOYSA-N 507.519 5.274 50 10 KKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2006342410 XMWVXVFPJKXFFX-JKMUOGBPSA-N 511.899 6.287 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 2040461221 FDVHSYYMGNQIMS-UHFFFAOYSA-N 503.967 5.302 50 10 KKGE COc1ccc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1 2080746820 JSJZIHJKTOOMLL-YTWZBVJHSA-N 501.632 5.595 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1ccc(Br)cc1Br 2083338975 OXVHTQARRAHCGK-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1C1CCC1 2141470037 DLIDZZCIVGUWPU-FZVNPBSJSA-N 536.327 7.453 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(Br)c1 2142288817 MPHLPZTZVWUEQX-CQSZACIVSA-N 560.849 6.309 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(Br)c2Cl)c1Br 2201080634 ZLKBXWMVPMLKER-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cc1oc(C)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206397124 FHUMEJYLBZTZTM-CQSZACIVSA-N 594.761 7.739 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2206398891 ZZQCBRKPMXNMKA-AATLWQCWSA-N 594.805 7.999 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400053 OVVAEDSLFGKXSE-JTQLQIEISA-N 659.605 8.123 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2225616664 HYMAEWZNRZYAKQ-NSHDSACASA-N 519.832 5.639 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(F)cc2I)c(C)c1Br 2235606016 UWAFZAYCMWZYDH-OAHLLOKOSA-N 532.416 6.900 50 10 KKGE CCN(CC)C(=O)C(C#N)=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 2313562068 BWUDEDDUCBAKIS-UHFFFAOYSA-N 514.695 6.371 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2313571280 RJHBDNSCEWQWIM-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593146 IFCYFNCDHRPOER-HRFSGMKKSA-N 513.638 6.253 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314611487 VIEZGCKNKOMNIO-UHFFFAOYSA-N 522.649 6.212 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617110 QXKQBHJULHXULK-UHFFFAOYSA-N 547.394 6.094 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2314619569 BPJMISITOHCJAQ-UHFFFAOYSA-N 654.148 5.006 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 2314737165 PPKTWHJICOITHD-UHFFFAOYSA-N 539.415 5.990 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239834 GMAAGCCMNYCNMO-AWEZNQCLSA-N 515.860 7.365 50 10 KKGE N#CC(=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 2331293097 QGSQXXBDSXUTLH-XMMPIXPASA-N 513.525 5.788 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311683 NBVVYTMAWQCOGI-SFHVURJKSA-N 512.462 7.087 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3)cc2)n1 2331390340 ZQTVTOSUQYEDJP-UHFFFAOYSA-N 515.034 7.866 50 10 KKGE Cn1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)n1 2337098922 TXJRBAWGUQXEPI-MRVPVSSYSA-N 540.250 5.984 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2sccc2I)c1Br 2339690614 JYTUZUWWCVWSGE-NSHDSACASA-N 580.905 6.679 50 10 KKGE CC1CCC([C@@H](CBr)Nc2ncc(I)cc2Br)CC1 2351581010 FIQCGGGUYNUAJC-SRHKJQAYSA-N 502.032 5.450 50 10 KKGE C[C@@H]1C[C@H]2C[C@]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368711666 FVLRHCKSVRXGHS-CHFCKMNRSA-N 552.326 6.974 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1OCC 6167574 MBNIAXQZWUCZFC-RAKJDDDUSA-N 635.783 6.407 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38684760 JPANARGPVTZWCH-GDLZYMKVSA-N 510.634 6.990 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5)ccc43)c2)cc1 38686636 MEFFAURWSJPVGF-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 100173246 APBFRZUYHYSVHK-UHFFFAOYSA-N 577.328 5.430 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100186552 CEGQNEKCXSQJJD-UHFFFAOYSA-N 584.536 5.790 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(Br)c1 100477833 RRHBHUVWOVIAIX-UZWMFBFFSA-N 565.427 7.246 50 10 KKGE CCCCCCCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 100997138 HCWIIJXPHCWNBS-SHUIIVGSSA-N 535.710 5.384 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3ccc(I)cc3)cs2)cc1 101034071 SWVBRLBMUXOGMO-RCCKNPSSSA-N 586.458 7.340 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245571 GIJVMSZRQNIVJA-SJCFVWOQSA-N 560.517 6.946 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246245 KXDZLOYASQZKTF-UZEPBSNMSA-N 518.038 6.112 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 101337543 WYXDBEGYTCIMSQ-ADIMLFFHSA-N 529.556 5.801 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 101369066 ZQUCWWMIUITJOQ-MHZLTWQESA-N 549.421 5.784 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369251 JHAPJYYJAXAZED-LJAQVGFWSA-N 559.405 6.988 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1Cl 101373408 AHNCLCNJIKAKRZ-QHCPKHFHSA-N 539.371 5.616 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101373767 SOUWRQIHOGIVBK-JCOAXYOVSA-N 556.659 6.589 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101375601 YTACEDBDALCLGT-YUYWZBKDSA-N 598.740 7.759 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383230 MBXCUGYQTOPXCQ-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101385437 SIUCDFMXQZZQRA-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389595 YTJOYFVWDLXSNO-UMSFTDKQSA-N 594.639 6.623 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)oc2c1 101398651 RLPZJKJSMPZOSS-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613583 BQEJFHKHUWGXJT-STKMKYKTSA-N 532.427 7.285 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666345 QFSDJSHFHMHFRC-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 103723307 ZBPSBVAZTGPQMA-LGMDPLHJSA-N 543.472 7.696 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 105134691 WWFINKMZMOCBGV-YVLHZVERSA-N 519.292 6.732 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C(C)C)cc1Br 105360322 NFJFOVFJQHPBFT-UHFFFAOYSA-N 538.442 5.282 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 117410115 OIPQHXAOBXAJIU-UUWRZZSWSA-N 611.271 6.116 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 150428892 QIOJLOMCJFLVDJ-YTTGMZPUSA-N 645.539 8.116 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150429031 HSBUWCRHQPMKPO-UMSFTDKQSA-N 635.116 8.427 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433878 GOXOXVYWQXCHCK-SSEXGKCCSA-N 677.993 9.277 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463049 GCEFDLKJWFSFQM-NDEPHWFRSA-N 698.411 9.540 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 164609472 SHHAUHLZZGTOCI-ODNPBWNPSA-N 769.275 8.925 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164622138 LINMOMFDWKTPOC-ALQBTCKLSA-N 670.476 7.596 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 164643628 IQYDQZMRDNBREC-SAEPALGJSA-N 663.399 8.874 50 10 KKGE C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)C[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 195960593 YKXYTSHOAIXBSR-ZSIMPOSJSA-N 692.193 10.862 50 10 KKGE in-vitro CC(=O)OCCCCCCC/C=C/C(=O)O[C@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=O)=C1C 201289688 AUXPKBDZZOGTOQ-OOQPSORXSA-N 510.715 7.699 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(=C\c1ccccc1)c1ccccc1 206396207 FHLNQSYHGNXELJ-MQYBUBRJSA-N 514.581 6.065 50 10 KKGE CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OCC 206692964 YUBMLODIUNZMCD-AIEPUDQMSA-N 530.577 5.318 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Cl)c1cc(Br)c(Br)s1 229518878 DMCUQJZOHXQYRW-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1Br 235927785 JJTDJHXGLGSDHK-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)cc2Br)cc1Br 235974249 ITOXIAZOADYXIU-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(=O)OC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 249694304 OWGWSEUEDPLMHW-RNNSPCPXSA-N 645.130 11.166 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cc(C)ccc2C)cc1 254312179 TTZFPIDBZXOLLA-UHFFFAOYSA-N 586.670 5.445 50 10 KKGE CC(=NNC(=O)c1ccccc1S(N)(=O)=O)[C@H](CN(CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254483077 PRVZTMJNLGTEIR-QCENPCRXSA-N 646.810 5.314 50 10 KKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cccs3)cc2)cc1 254672384 GVSLWSSJJIQTOK-UHFFFAOYSA-N 534.685 7.241 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)CCc1ccccc1 255981088 JKHADYMACPRLAF-RZLFSCKESA-N 596.840 8.410 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)oc2C)cc1Br 396446695 AKRHFWMJZVYNRJ-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE CC1(C)COC2(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N[C@H](CO)c4ccccc4)[C@@H]3C2)OC1 504014621 RFODHSIIJZKRDJ-UDIRQSBCSA-N 503.756 5.042 50 10 KKGE Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616584375 BCUPVINMPFMBBJ-PALZFSNJSA-N 803.974 8.193 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](c3cnc(O)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616584850 JPJHNALDAAZFFN-WZNLVYDCSA-N 861.062 9.405 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 721615081 QXSZDUXOEDUFNM-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085436 AVEUCVNGXYJNAM-PKODBYJRSA-N 673.041 6.524 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1083971165 HSSMFCFIUOIVQN-UHFFFAOYSA-N 571.699 5.545 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1083986747 CHXYDSAHENNNKA-VWLOTQADSA-N 624.359 7.096 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1 1084091434 PFXLKWSVGCZULQ-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084223462 YSDBHQDOWXJRFT-UHFFFAOYSA-N 573.568 7.620 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084303881 LNOOGOBLPPOJTM-UHFFFAOYSA-N 542.297 6.875 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1084343846 YNVIHOBIXWRHOL-MHZLTWQESA-N 537.056 6.019 50 10 KKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084470416 USHMUYXBKWLAGW-UHFFFAOYSA-N 582.150 5.555 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCCCC1 1084472687 NYXROZGIRNGJBB-UHFFFAOYSA-N 625.962 5.484 50 10 KKGE N#CC(C#N)=C(SCC(=O)c1ccc(-c2ccccc2)cc1)SCC(=O)c1ccc(-c2ccccc2)cc1 1614948831 NMFAMJJDEIWKKU-UHFFFAOYSA-N 530.674 7.811 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746897 IKTNHAPCFGDDMC-UHFFFAOYSA-N 535.600 6.154 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)ccc1Cl 1772748549 LMKGUEVZHIMHHL-UHFFFAOYSA-N 527.020 6.758 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688155 LGTOTDXNFQUSPK-NDEPHWFRSA-N 549.030 6.640 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865691032 HLOTYFHNZWIRPN-JOCHJYFZSA-N 543.849 5.671 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694541 YZAHLJVVNHDGQD-GDLZYMKVSA-N 504.634 6.216 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865701806 FXBCBYHQKHNLTI-INIZCTEOSA-N 527.703 5.723 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702753 DMZPGVSBXUHVEF-VWLOTQADSA-N 561.867 6.648 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)c1 1865703024 LAXBRKMOAUNIGK-AREMUKBSSA-N 544.577 6.673 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865706762 FCEAXDMKTFDBBO-PMERELPUSA-N 558.085 7.437 50 10 KKGE CCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711856 JMKZUBAZGLRIMZ-MUUNZHRXSA-N 506.606 5.842 50 10 KKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)cc1 1866215213 HXOJYNNIKHAUED-PXLXIMEGSA-N 504.608 5.698 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866872819 NLNOXDWGKIOTCC-LOSJGSFVSA-N 547.681 5.103 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CCCCC4)CC3)n2)cc1 1868527639 DJTLUKATXVLYRK-UHFFFAOYSA-N 542.709 6.088 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2)cc1 1868528348 RCJVFIRIDSWBPT-SANMLTNESA-N 544.080 7.090 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)c(C)c1 1872749010 XLDGCDMYURXKHS-PNHLSOANSA-N 505.599 6.794 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872749220 HHLDCTCCGTZRBT-RJHYDAJSSA-N 519.848 7.275 50 10 KKGE Cc1csc(/C(C#N)=C(\O)CCCOc2c(Br)cc(C(C)(C)C)cc2Br)n1 1872757661 PYLMHYBZPUZXKU-VKAVYKQESA-N 514.283 6.926 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 1872794010 FSWMVCXTXLRYFS-HZHRSRAPSA-N 500.067 7.871 50 10 KKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924594779 PSBBWIAVGLVAJT-VIFPVBQESA-N 542.287 7.265 50 10 KKGE CC(C)(c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924597091 XMMBAQJXXPJITR-LLVKDONJSA-N 531.933 7.449 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 1924613470 RUUVZCJQQNBDNI-LURJTMIESA-N 517.853 6.907 50 10 KKGE CN(CCN(Cc1ccccc1)c1cc(Br)ccc1CBr)Cc1ccccc1 1931965988 VDCBNZOYYPUYAR-UHFFFAOYSA-N 502.294 6.483 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2026222477 YVIOUAIKYJOIML-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)c(F)cc1F 2142288503 SDFNHRUFAGUORC-CQSZACIVSA-N 501.934 6.125 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(I)cc3)cc(Br)c2O1 2146630540 XZXUJVSSROHUPK-VFZGTOFNSA-N 507.991 5.861 50 10 KKGE COc1cc([C@H](Br)c2csc(Br)c2Br)c(OC)cc1Br 2150344458 LPMXKMMGEIWMFY-NSHDSACASA-N 549.904 6.537 50 10 KKGE CC1(C)CCC[C@@]1(CBr)NC(=O)c1ccc(I)c(Br)c1 2150546407 FRHJWUDZSVBNKP-HNNXBMFYSA-N 515.027 5.127 50 10 KKGE CC[C@H](Br)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170615712 SGAIWPLDWBJRNQ-JSGCOSHPSA-N 515.027 5.222 50 10 KKGE COC1(C(F)(F)F)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2182019726 LSYISGRDTLDLCW-DJQPPXJLSA-N 521.418 6.720 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Br)cc1Br 2202345762 OWAIGRRNOMVJDW-CQSZACIVSA-N 503.843 6.964 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2206393707 ANHLDGWVCJKUQV-LLVKDONJSA-N 706.605 7.965 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206393746 AZRVULJAXBZAMG-VYUIOLGVSA-N 596.821 8.389 50 10 KKGE Cc1ccc([C@@H](Cl)c2sc(Br)c(C)c2Br)cc1I 2217863757 FLMOPQQLNLQFAI-LLVKDONJSA-N 520.455 6.823 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(Br)cc2I)c1C 2218783118 UIFOWMMBCKITEN-NSHDSACASA-N 520.455 6.823 50 10 KKGE CCn1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)nc1Br 2235609542 BUFJKXASSVVCKS-CYBMUJFWSA-N 529.896 6.292 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296473014 MTFZFOYKCHZBEG-UHFFFAOYSA-N 557.544 5.278 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790192 VNHZIBBLYYQTLN-UHFFFAOYSA-N 509.653 6.597 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299526780 BDKMRYQIHNLJEW-MRXNPFEDSA-N 551.525 7.990 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1 2313521530 UYIARXZCIGYMDA-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)cc(Br)c2OCc2ccccc2)c1 2313560758 FWGLJQWDYVQFDC-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2 2313566874 CGPGCBIKLIRZPF-UHFFFAOYSA-N 586.486 5.741 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 2313567360 GGBXHYFFNUUXDB-UHFFFAOYSA-N 506.787 6.407 50 10 KKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)c1 2314534120 YYUYCLNGDJGKGX-UHFFFAOYSA-N 531.366 5.112 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640683 MDVFKZXYFDGNHB-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 2314640763 WPNYSHQKRHXTOG-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE N#CC(=CNc1ccc(Nc2ccccc2)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455419 SYIBHPOXNDHBAS-UHFFFAOYSA-N 513.645 6.183 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4c(Cl)cccc4Cl)c3)nc(O)c2cc1OC 2331044486 QEDAKJBMMGBESE-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1C2 2334326963 HKTLWZPXWQMHHR-WUUFAPOGSA-N 536.327 7.453 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)sc(C)c1C 2365194801 VIGBMUCVMJMHCC-LBPRGKRZSA-N 505.472 7.428 50 10 KKGE Brc1cc(CO[C@@H]2C[C@@H](Br)C23CCCCC3)ccc1I 2377596625 YPMBUJVLYDUKQT-HUUCEWRRSA-N 514.039 6.057 50 10 KKGE N#CC1=C(N)Oc2cc(O)c(/C=N\c3ccc(Br)cc3)cc2[C@@H]1c1ccc(Br)cc1 2317059 UGFYPCHXFAYJPI-MAAQONNBSA-N 525.200 5.886 50 10 KKGE CO[C@@H]1O[C@H](CBr)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 22063792 GBRWKBAOTRGDCL-VNGQLYDISA-N 527.455 5.509 50 10 KKGE in-vitro N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 33568797 PRUQUMSQLZLCHK-FWKRNHIBSA-N 508.650 8.230 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 34896473 QHDXEQMIJOEQPL-QPQMVVSWSA-N 508.430 6.367 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 38606733 UBPJLZWGOPYVOA-HZHRSRAPSA-N 506.574 5.211 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38650811 OBWGBLJUNYAWLY-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 38681191 AQSDWHLVJGSYQW-LJAQVGFWSA-N 526.589 5.876 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)c(C)c2cc1C 38688545 DSRDXWJLAWSUTK-GDLZYMKVSA-N 500.554 6.949 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815525 ZLKPKZMOKNCKME-FDEZRRJOSA-N 527.624 6.982 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1)S(=O)(=O)c1ccc(Br)cc1 83311446 YAKOOWUJYOIKIM-PDGQHHTCSA-N 502.371 5.242 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)CCl)cc1 97915147 ATFPSOKKZXSEFT-SANMLTNESA-N 505.124 6.465 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 100235805 YTJMUKHBSNVCCN-ZZJXEYPFSA-N 608.302 6.292 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241375 RNMOJDJYYDFYBX-UZEPBSNMSA-N 536.484 6.353 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242180 DZKZTEVJPUHTMH-OGCOBRASSA-N 506.027 5.799 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1 101367341 LDOVADHTVOPJFK-IDVKVFGRSA-N 530.580 6.111 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101368025 IDBPKZDZXDGETN-SSEXGKCCSA-N 544.604 5.475 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383215 ASGLIUOSLUOOFS-PTRALIJHSA-N 549.026 7.064 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384125 FLCDFPOJPBFWHE-PTRALIJHSA-N 532.571 6.550 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101386793 ZEWGPRAIIKJWJK-XIFFEERXSA-N 572.592 7.004 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101393391 XOEVPMKPSZIEQI-PMERELPUSA-N 587.072 7.574 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)oc2c1 101398508 YEQVMVMNZKIXJD-HKBQPEDESA-N 577.036 7.719 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599272 MXRYUMGLXJLDMG-ZEGMAUPVSA-N 538.417 5.942 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Br)cc1 102932797 PCHOLFAKTYRMTM-YVLHZVERSA-N 524.327 5.196 50 10 KKGE Cc1ccc(Cc2nc(N3CCCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 103139514 QNSXWWSDMUYTAH-PMERELPUSA-N 583.111 6.181 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430131 GIVRGELTSVMPGC-JGCGQSQUSA-N 661.936 7.283 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1 150460470 YDTRPWWVWVGXKE-HKBQPEDESA-N 637.486 7.529 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150462910 SWDNNKGABUHBPX-OGBGOWNMSA-N 648.810 6.348 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 150497293 QFUNMAMCVXJVLI-BIZUNTBRSA-N 645.546 8.218 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205656876 BQJZVUGJOFLANN-BESXVYCHSA-N 540.616 6.110 50 10 KKGE C[C@@H]1O[C@@H](OC(=O)c2ccccc2C#CC2CC2)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 208817001 GFJRBZAGCNPFPB-CCSUFHTCSA-N 793.165 8.630 50 10 KKGE C=CC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(CC=C)S(=O)(=O)c1ccc(C)cc1 208963909 CQRJLZLWRZLASK-HHHXNRCGSA-N 533.810 5.693 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214257701 KWCBKLYQNDKISC-VPZZRGLESA-N 522.649 6.273 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214277737 ZYIFYAVWEYMAKE-FSGOGVSDSA-N 540.623 6.205 50 10 KKGE CN1C(=O)C2=C[C@H](Cl)c3c4c5c6c(cc(Cl)c5c5c(Cl)cc(c2c35)C1=O)C(=O)N(C)C(=O)[C@H]6C=C4Cl 215869910 KOMGUSIHEVWNBZ-CPFSXVBKSA-N 558.204 5.878 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 235812011 XIFJSOBNOKKCCF-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Fc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1F 236170565 FWVKRXHYQBCYSE-LBPRGKRZSA-N 501.934 6.011 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc5ccccc45)cc3)cc2)cc1 254570291 FPWXOWZVJWNXKA-UHFFFAOYSA-N 563.635 5.932 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 254712114 AJBRDUIHLJKFNW-QQAQFKCMSA-N 645.941 6.309 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 256028400 JVJCQMIAEADPHR-UHFFFAOYSA-N 608.370 7.096 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1sccc1I 382512559 PQCBXQKUECQTBH-LBPRGKRZSA-N 516.036 6.225 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)c(F)c1F 398816113 ZOHXNMUNDBBPJE-NSHDSACASA-N 505.897 5.955 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)CCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504427187 FZJXXSXLNFVUGM-INQRMYHRSA-N 563.705 10.182 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585743 FAGFLKDXAVYVFV-VQHLWIOESA-N 672.973 7.366 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2CC[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616669972 UXIVIOSFNXKUPD-MUUNZHRXSA-N 511.899 8.724 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)O)c(/C=N\NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)s2)c1 675032382 WGXKBHVFHKAWSE-OFAQJKEFSA-N 570.476 5.034 50 10 KKGE ClCc1nc2c(Cl)cccc2n1-c1cc(I)cc(I)c1 690394817 GNOWTAADMBLVSZ-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE CC1(C)C[C@H](NC(=O)c2cc(I)ccc2Br)C[C@H](Br)C1 693890264 HJUANBUAQQBPAH-GXSJLCMTSA-N 515.027 5.126 50 10 KKGE O=C(NN=Cc1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083927207 PYOSUGLKKYFMOW-UHFFFAOYSA-N 500.642 5.529 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 1084119820 UODZPIYNVARKHD-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)cc1)c1cccc(Cl)c1Cl 1084186177 NQSQLWCGSNOPGU-UHFFFAOYSA-N 561.878 5.925 50 10 KKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(I)cc1 1084210687 LPXJRBYGHCHGOE-UHFFFAOYSA-N 500.405 5.879 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084255896 DUUMLPGNNXSLQI-UHFFFAOYSA-N 670.602 8.015 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)[C@@H](O)c1ccccc1 1084359504 HPESHWOQLYPNSY-DEOSSOPVSA-N 554.609 5.025 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084443974 SZFRYHRZKFLDHB-FQEVSTJZSA-N 670.580 7.209 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 1084613179 XHVQWVGMEBTWMK-WOJGMQOQSA-N 502.352 5.417 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084647790 ZFWPGGRRXTVKCK-IBGZPJMESA-N 599.544 6.494 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747318 GBRZOFLAWSSULQ-UHFFFAOYSA-N 524.326 6.636 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1 1772755272 YKQLFLWHEDTKKA-UHFFFAOYSA-N 568.518 6.403 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1772760542 UEQZACZLBBJSJH-UHFFFAOYSA-N 611.370 7.196 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865689962 XVPUZBHJKSQMEZ-HNNXBMFYSA-N 541.711 5.239 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865691491 UCWBNACIPLXVLU-HXUWFJFHSA-N 503.441 5.321 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699984 HZSBIJLNRRSGOQ-RUZDIDTESA-N 507.981 5.960 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701188 OQEITNZKIXRMFL-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702570 WXSRUXFNXVCWFL-IBGZPJMESA-N 522.205 5.920 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703357 UQAKKJDUMLUTTJ-SANMLTNESA-N 565.888 7.582 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(Cl)c1O 1865706955 JUQPQOYFAIRXAF-OAQYLSRUSA-N 505.361 5.778 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866703577 SFESCNHTDWOIPT-VMPREFPWSA-N 552.725 6.038 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)CC1 1868364888 GUWJYWCAANYKFM-UHFFFAOYSA-N 521.650 5.745 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)n2)cc1 1868528192 OZQXZKSBMGXOMS-UHFFFAOYSA-N 565.659 6.032 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OC(=O)c1ccccc1 1872795122 OODSEFARMILGEK-XDHOZWIPSA-N 502.979 6.764 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1Cl 1873795549 PSXDAUPAKWYOIO-MWAVMZGNSA-N 510.119 7.005 50 10 KKGE CN(Cc1c(Br)cccc1Br)C[C@@H](Br)COCc1ccccc1 1916344238 ZCXYTBJVUVTKOD-OAHLLOKOSA-N 506.076 5.624 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1C 1924586052 SXSANSNWAAFIAV-JTQLQIEISA-N 517.906 7.137 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCC23CCC3)c1Br 2053377533 JBIZRNPAKXUQES-APPZFPTMSA-N 521.938 7.442 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)ccc1Br 2065888722 YGKYHIBTRJJMOU-LLVKDONJSA-N 501.842 5.500 50 10 KKGE CN([C@H](c1ccccc1)c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)[S@@](=O)C(C)(C)C 2080760374 NOXCEZAWDZQFLW-RZFQCGOMSA-N 529.642 5.657 50 10 KKGE FC1(F)CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085492161 GYGPUQHDJASSBO-SNVBAGLBSA-N 532.242 7.062 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(F)C1 2085493577 DKDUAAWKRAXALU-JTIOZCSCSA-N 528.279 7.155 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(F)c1Cl 2136957110 AVDGEFPIHODLLJ-SFHVURJKSA-N 502.580 7.444 50 10 KKGE CC[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141470036 DLBMJLXRCVSWDI-WDEREUQCSA-N 546.269 7.452 50 10 KKGE CN(C(=O)c1cc(Br)ccc1I)C1(CBr)CC(C)(C)C1 2164567144 KIXXPVNHIWLMBP-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE CC1(C)C[C@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206394356 GWAUTYAPPLEMOD-JGVFFNPUSA-N 598.793 7.378 50 10 KKGE CC(C)(C1CCCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398898 AARLBLLONBSPME-CQSZACIVSA-N 596.821 8.389 50 10 KKGE FC1(F)CC2(C[C@@H]2[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399186 DGYBHAHHHSDNMR-ANLVUFKYSA-N 602.731 7.608 50 10 KKGE COc1ccc([C@H](Cl)c2c(F)cccc2I)cc1I 2269555421 WNVKJASJMZICRG-AWEZNQCLSA-N 502.492 5.372 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2288345770 TXMOAUWQDQZNIA-LLVKDONJSA-N 598.699 7.499 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 2295669857 BFFVCRGYAGBUPF-UHFFFAOYSA-N 528.552 6.802 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458540 PQLKRBAXSRCYCE-QHCPKHFHSA-N 518.982 5.622 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1sc(Cl)cc1I 2300955066 GWMSKMXZQKFTNU-JTQLQIEISA-N 557.391 6.234 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521509 SSDICIACVCKCHM-UHFFFAOYSA-N 526.330 6.160 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567354 JGYATBGCVMOTAN-UHFFFAOYSA-N 586.917 7.090 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12 2313570753 FOIKEKYGYYWTPA-UHFFFAOYSA-N 513.424 8.000 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccc(Br)cc1 2313631827 WPFWMCCIMRLJQI-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314487186 DXGGBKOXAXIUEF-UHFFFAOYSA-N 636.465 6.125 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314616916 MVXLWKOKFDDOFQ-UHFFFAOYSA-N 524.580 6.386 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314618975 XPEBLHLKHVUSNA-UHFFFAOYSA-N 577.644 6.306 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314640656 IDOTXNORMKQSNI-HKBQPEDESA-N 543.063 7.526 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646574 DDMNOPOSYFHSRZ-NDEPHWFRSA-N 660.752 5.338 50 10 KKGE Clc1cc(I)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2316598188 AIRJXPGDDGDPJF-SECBINFHSA-N 540.873 7.054 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1ccc(Cl)cc1I 2318529194 NHADOEJCSWLJRD-UHFFFAOYSA-N 508.463 6.309 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1Cl 2331397873 CCDNKJSNASRALX-UHFFFAOYSA-N 507.311 6.200 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331450376 AZGXGLIWMQPJDS-UHFFFAOYSA-N 512.631 7.178 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCc1ccccc1 2331489350 ULCZJFAWNGKHGV-UHFFFAOYSA-N 504.611 7.624 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)c(Br)o2)c1Br 2365215465 KPCPVAJJQMXMJA-NSHDSACASA-N 531.864 6.677 50 10 KKGE Clc1ccc([C@@H](CBr)OCc2cc(I)ccc2Br)cc1 2367610894 LDRJDLHWHSSKBH-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 2369431089 MMTPJYFMEGORNR-OAHLLOKOSA-N 509.160 5.568 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cccc(I)c2)c1 2381249161 FARVFEGSLDCLFF-HNNXBMFYSA-N 510.007 6.109 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 1133002 RQTUYKWVRSCWPN-QNGOZBTKSA-N 536.407 5.150 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3322906 HOKOLDYOMMXYSP-PDGQHHTCSA-N 560.919 6.864 50 10 KKGE COc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c1 13748896 ZMYPQPRBRNTIIK-XYZDCVNTSA-N 504.011 5.722 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 32519997 ANCATXLLKFJWOL-MUFRIFMGSA-N 502.640 5.690 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38658025 BZCBBWYXPRSUGI-DEOSSOPVSA-N 503.352 5.451 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38658254 BASSCBCAWKNUFD-WRONEBCDSA-N 510.590 5.966 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38682926 PBNZJXNQQTZBJY-XRHLQHRESA-N 502.542 5.596 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38701209 CUYGIFDBINQDAG-RUZDIDTESA-N 500.938 6.231 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813677 QICJLJATJUHVHU-RDRPBHBLSA-N 500.382 5.935 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212913 KVUNWUYKUJBLJQ-IBGZPJMESA-N 584.536 5.299 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(C)cc3)cc2)cc1 100883487 UNYILSQSUGGWAZ-HFTWOUSFSA-N 554.650 7.371 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034214 WJHMOBXEAISPDK-FYJGNVAPSA-N 577.463 7.596 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101339540 TXYAWUTUSPSZNS-FDAWAROLSA-N 556.666 6.736 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)C2=O)cc1 101340219 NRKCBDOVVREYMK-NDZAJKAJSA-N 558.638 5.700 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101370577 TVNIGEUOUOKUJU-MHZLTWQESA-N 555.414 5.993 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101372102 KSDSEABVIFAAFV-SSEXGKCCSA-N 597.495 7.164 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380348 ATNGGUPFHQZKLB-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383043 JAQUTVPMKPTMDF-DHYKOVJISA-N 595.095 7.633 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384657 MOYAKNLPQIMHQK-HKBQPEDESA-N 603.458 6.784 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385951 RXCZQYZEQPOAOE-WJOKGBTCSA-N 553.014 6.294 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388331 UUKVMDYYQYANOZ-GMWXTNTRSA-N 625.121 7.471 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc(OC)c1OC 101393508 RRSPSPPWAIXNQW-HHHXNRCGSA-N 540.572 5.821 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1C 101730069 RYZWTKWNWHCVMK-BHWZMTOTSA-N 548.595 6.018 50 10 KKGE C/C(=N/NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)c1ccc(O)cc1O 102978974 ZSXDXTREZAQIDK-WGARJPEWSA-N 548.231 5.664 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c12 103138940 JRADGUFJUCMAEI-NDEPHWFRSA-N 555.057 5.483 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2ccccc2o1 103797067 BDVCQZNZHRAEET-DHRITJCHSA-N 541.301 5.289 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1 103874317 BJJABBWGVDHMJI-HAVVHWLPSA-N 569.130 7.794 50 10 KKGE Oc1c2cc(CCl)cc1Cc1cc(CCl)cc(c1O)Cc1cc(CCl)cc(c1O)Cc1cc(CCl)cc(c1O)C2 104423979 IFSOACMKBSKJJK-UHFFFAOYSA-N 618.384 8.141 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)cc(OC)c1OC 109870256 DQRLWACQUHTACI-LBPRGKRZSA-N 501.034 5.783 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(F)ccc2Br)cc1Br 128770253 BAVQDZVMAQCECK-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1Cl 150648171 JSWUHGLRAPFVNM-MFOYZWKCSA-N 619.799 6.082 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1Br 161122294 XBMNKPMIOBHNQG-OAHLLOKOSA-N 541.903 7.084 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)cc1Cl 164612201 KZOUNQYNBBMCLU-PNQUVVCRSA-N 641.143 8.006 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776221 SVAAFWSJTPWOMF-NYRFQVNLSA-N 632.742 5.635 50 10 KKGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 207131265 GALQFWHGRCDLHZ-KQWNVCNZSA-N 504.608 5.348 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214326045 BNLGQGWPBNYKHP-RWJNZEQESA-N 538.673 5.813 50 10 KKGE COc1ccc(OC)c([C@H](Br)c2cc(Br)ccc2I)c1 234979816 OTUPJEFBAWFZEF-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(Br)c1 234990970 HOKUKXHYLQMDMM-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)c(F)c1 236256896 IHSJLOOPPJJLTA-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 252619162 LNOJPAKBDROQDG-UHFFFAOYSA-N 585.307 5.106 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3ccccc3)ccc2O)cc1 254394071 ZEKDCMRPIVSDRT-FZZCQOOQSA-N 532.604 5.795 50 10 KKGE O=C(NN=Cc1cc(I)cc(I)c1O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 254484484 BYTVPEFURJDEBG-LLNBSCJPSA-N 663.253 5.079 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 254491884 AMJSCOJUEHPACA-UHFFFAOYSA-N 635.120 7.544 50 10 KKGE O=C1C(=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2N1Cc1cccc2ccccc12 254501336 QSIHAETXRZZSKR-UHFFFAOYSA-N 511.581 5.143 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O 254733425 YMJOIKIBUNKNIU-UHFFFAOYSA-N 513.619 5.250 50 10 KKGE COC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2c1CCCC2 256017422 LZDIPVDCKLZWHE-UHFFFAOYSA-N 528.030 5.810 50 10 KKGE CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](Cl)[C@]45O[C@@H]4[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]5(C)[C@@H]3CC[C@@]21C)C(C)C 256101425 HAAIKLIMLBUYHH-MYZIZHGFSA-N 627.303 5.278 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1sccc1I)OCCCO2 312457321 VQXWGEUAWXCRGT-ZDUSSCGKSA-N 530.019 5.761 50 10 KKGE C[C@H](C(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@@H]2[C@H](C)C=CC3=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]32)O1)[C@@H](C)O[Si](C)(C)C(C)(C)C 504145273 ALHDGNSPBBXBJX-QKYLYRCQSA-N 981.707 14.369 50 10 KKGE CN[C@H]1CC[C@H](O[C@H]2/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@@H]2OC(C)=O)[C@H]3OC)O[C@@H]1C 575232397 MGIACLJTFQJLSW-XELVAUBGSA-N 985.339 5.741 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 725409298 TZTCQRSGAXBVKB-UHFFFAOYSA-N 521.042 5.337 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1084053383 DUQLEIBSEWCUKE-XMMPIXPASA-N 603.413 5.141 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084103716 BWXANRLEXHKTJL-VIZOYTHASA-N 581.637 7.442 50 10 KKGE CN(C)c1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084220086 RWCISWWWWFNTFY-UHFFFAOYSA-N 512.683 5.141 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1 1084359612 CKNGKJVAQBFOMB-QFIPXVFZSA-N 640.259 5.439 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(Cl)cc2)cc1 1084513989 FKYNWEOPUKBWCP-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(F)c1 1084578557 NGFZNODJJBGAES-HHHXNRCGSA-N 569.471 6.258 50 10 KKGE CC(C)(C)c1cc(CSC(SCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=C(C#N)C#N)cc(C(C)(C)C)c1O 1615949393 LXKYKARECBOJIR-UHFFFAOYSA-N 578.888 9.713 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)C(c3ccccc3)c3ccccc3)CCC4)ccc21 1772748007 HPUBJNVQNNNLPI-UHFFFAOYSA-N 594.715 7.957 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748427 XFTBWXQTHBVRMG-UHFFFAOYSA-N 535.320 5.487 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749117 HMOQZLWWBKMBJN-UHFFFAOYSA-N 544.007 6.522 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1772760365 GIJLJKVNGXWOFX-UHFFFAOYSA-N 546.457 6.073 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@@H]1O 1848434935 ZGCNMHQDCCSXMS-BFDNYSQOSA-N 663.406 6.422 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686108 QUSFVQNFTUYHOZ-JOCHJYFZSA-N 521.379 6.271 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865693779 YTWBBQMIRWPWOL-HXUWFJFHSA-N 577.401 6.368 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696891 SZBYLWHKQPUHOS-QHCPKHFHSA-N 531.410 5.673 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865703425 VMYCCAZFDGQWRZ-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707767 FLJNFLXHPFDGKK-XMMPIXPASA-N 514.969 5.437 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711695 FXTAREVTYOXCCJ-SANMLTNESA-N 541.449 6.384 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)n1 1868231718 PNTRLVOWZYMMBY-MUUNZHRXSA-N 512.082 7.722 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)CC1 1868320122 BYXXQWBTVUFKIN-UHFFFAOYSA-N 536.705 6.142 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868413624 CCZNINJBGSSYNT-AREMUKBSSA-N 543.071 6.672 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433685 PQRMQUACGUEUED-DEOSSOPVSA-N 532.500 7.979 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)n2)c1 1868506130 RBNFJAOXSLCMQL-UHFFFAOYSA-N 571.150 6.877 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)\c2ccccc2)cc1 1872748836 PMZJSBHJOUVKFU-HOXQULNLSA-N 505.426 8.159 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1sncc1Br 1899894462 XGXKGEKJMGAHQU-INIZCTEOSA-N 518.068 6.731 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923065927 JEZZMNJNBFLTHX-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924592130 WYOUQRPARLKBEW-APPZFPTMSA-N 523.954 7.688 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1F 2003649087 GBUATLHAKHOAOM-SFHVURJKSA-N 504.181 5.492 50 10 KKGE CC[C@H](C)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780093 OWUMUYKKPUNMJX-BQBZGAKWSA-N 556.756 7.609 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1cccc2ccccc12 2053516029 UWIYWYHPBWSPKN-UHFFFAOYSA-N 618.427 6.666 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1I 2053612212 AZDTWUSCKCKERM-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE O=C(N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[S@@](=O)Cc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2060322975 IIRSOYJTCANBQG-MPGVBGQMSA-N 623.758 7.606 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)s1 2094094860 GWOFYOILZHQQTI-LBPRGKRZSA-N 533.905 6.666 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141470149 YSACSSRYGNYYNQ-VIFPVBQESA-N 661.671 8.353 50 10 KKGE COc1cc(C)c([C@H](Cl)c2cc(Br)ccc2I)cc1Br 2198733618 YECUQFLHFFGEBR-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206393747 AZRVULJAXBZAMG-ZDMBXUJBSA-N 596.821 8.389 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2206396418 WLYULBUQDDJPEQ-CYBMUJFWSA-N 723.060 8.432 50 10 KKGE CO[C@](C)(COCc1ccccc1)Cn1c(CCl)nc2cc(Br)c(Br)cc21 2234057410 BBWRAFJCKYROEQ-FQEVSTJZSA-N 516.661 5.922 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2241002999 YGNVXHUNOFJGDZ-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE CCc1cc([C@H](Br)c2ccc(C)c(I)c2)sc1Br 2255980291 OAVPWOHVJBHUJL-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE COc1ccc([C@@H](Br)c2c(C)nsc2Br)cc1I 2257370744 URLBVHWLUZMILV-LLVKDONJSA-N 502.997 5.312 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2270437216 KNPOTPOYHRKZKG-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198288 QNNVGRVICDDQTK-JOCHJYFZSA-N 556.844 6.307 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 2296679457 JKLPDUHNSFDVJJ-UHFFFAOYSA-N 533.013 5.712 50 10 KKGE N#CC(=CNc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296790060 LPACIAVQADDGPT-UHFFFAOYSA-N 513.304 5.703 50 10 KKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2297321306 ULXJHBQVTWSSHC-UHFFFAOYSA-N 531.056 7.412 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 2297488404 MDLFPJQFFDLLBE-UHFFFAOYSA-N 553.644 5.141 50 10 KKGE Fc1cccc([C@@H](Br)c2sc(Cl)cc2I)c1I 2300957505 PCRCENOMNNGWIH-SECBINFHSA-N 557.391 6.234 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccccc1 2313511161 RACKEHFHIJIANJ-UHFFFAOYSA-N 516.379 5.235 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 2313521382 KBVKBCJZDZKDPS-UHFFFAOYSA-N 513.775 7.053 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1 2313568080 QYYVCMUJECMXJT-UHFFFAOYSA-N 550.884 6.246 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)N[C@H](C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 2314593291 KXRXFZLCHRFBCI-DFHRPNOPSA-N 509.675 6.422 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593567 PHNNLZAEMWVCRT-IQGLISFBSA-N 501.583 5.138 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618879 VYERKXMAKDQGDZ-UHFFFAOYSA-N 523.372 5.966 50 10 KKGE Cc1c(F)ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2338566192 JUQXCLGCNSRLPD-MRVPVSSYSA-N 556.314 7.621 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2coc(Br)c2)c1Br 2339653050 FLVYJMVTGMRGIC-LLVKDONJSA-N 517.837 6.368 50 10 KKGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@H]1CCBr 2349826841 GFQBNOSJPPJLSK-GFCCVEGCSA-N 501.044 5.297 50 10 KKGE Fc1ccc(C(F)F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2363676411 JTBPQRQAHKYZMA-FQEVSTJZSA-N 500.152 7.589 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2369056420 PWKIQQUNUCPPMO-RWYTXXIDSA-N 596.821 8.245 50 10 KKGE Clc1ccc([C@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377596586 YEZOWTQYWCZSIP-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE Cc1ccccc1[C@@H](CBr)OCc1ccc(I)c(Br)c1 2377622685 UNUAAECWDBCUBE-MRXNPFEDSA-N 510.007 6.015 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(Br)sc1Br 2380947734 UXQGIEOCFHUUJV-AWEZNQCLSA-N 545.960 7.952 50 10 KKGE CCC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccccc2OCc2cccc(Br)c2)cc1 20581802 JHSHMDVNFZUOSS-MGMNCFQJSA-N 509.444 6.461 50 10 KKGE Cc1ccc(C(=O)NC(=S)/C(=C(/O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 33353126 RFZZODWIBHEFNK-UHFFFAOYSA-O 558.663 6.973 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 33888035 UDDHMWCONQOTFZ-GUNDDFSMSA-N 515.566 5.067 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651793 XYVSJZOYAYRZBD-LMKMVOKYSA-N 519.395 5.603 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38682938 IOZORHXSOWAORW-GDLZYMKVSA-N 512.606 6.338 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 38686349 WIEVKYLPRXPUPQ-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2)cc1 39868067 KTRHIDXROZVHPX-GNFMVLDJSA-N 514.606 7.655 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 39993032 ZRUARTSYDFYEET-QGOAFFKASA-N 504.468 5.668 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1 50568447 JNNLANCSMYYDDD-OQKWZONESA-N 520.618 5.264 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1 59305309 NMXLVJQLPCTWMN-LGJNPRDNSA-N 514.294 5.519 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1 59305399 NTLQGHLBMPKQQC-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2Br)cc(C(C)(C)C)c1O 96557036 AINGSYFHNDEZHD-BRJLIKDPSA-N 506.397 5.187 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914801 PJNDMUWTRHGCRJ-ONHYFPECSA-N 501.067 5.488 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2ccccc2c1 100238126 ZRZYVTJLSFWXTE-UWNYQIKHSA-N 552.671 6.519 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243093 GLMBXHRSHPFDMP-XKQSAKNCSA-N 550.511 6.859 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1C 101304847 JKSXDTJSYPXFQL-AZVXTCMLSA-N 506.606 5.803 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101334707 MREQXHRHNHRHNQ-UXHLAJHPSA-N 556.666 6.675 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101367809 GKQCIPSYDPZHII-LJAQVGFWSA-N 549.023 6.039 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 101372355 IADKOBYBYGNQET-YTTGMZPUSA-N 556.659 6.419 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101374995 DMGQYOIGNVHJQG-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 101378355 AKAMGBNJADALFW-GDLZYMKVSA-N 533.024 6.420 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381877 NJUBVCMKUUPUIW-PGUFJCEWSA-N 564.641 7.221 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)oc2ccc(Cl)cc12 101391483 GZDHNUZSOFNTOG-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc(OC)c1OC 101393464 MOUYECPFKZPXBZ-AREMUKBSSA-N 526.545 5.513 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101393898 PVGLCQANWHIYRZ-RUZDIDTESA-N 529.390 6.504 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398467 GVTAQXXSMDQORA-NDEPHWFRSA-N 599.495 8.224 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)CC1 101398870 ZWJOOWNLMPVDEF-HXPLHXQISA-N 554.662 7.525 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C 101456037 GJYGKSQFOIAUAV-MTJSOVHGSA-N 582.394 5.821 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-] 101494484 ZBCOKQXXRFBBPM-UHFFFAOYSA-N 541.351 5.750 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(I)cc4)c(C)c32)c1 101593193 ADZLGROXCVYXSM-ZXVVBBHZSA-N 527.362 5.224 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612478 TWIQBFSSENIXGN-RUMWWMSVSA-N 537.403 5.931 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2cccc(Br)c2)cc1OC 102780458 JWWMPTDCZICOQE-VWLOTQADSA-N 551.909 5.266 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)cc2)cc1 103725745 PLMLWQCEMLMOAW-RUMWWMSVSA-N 542.657 5.618 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 105403299 JKBKWBINQHSDFN-LGUFXXKBSA-N 528.587 7.112 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 105626975 SNMXDCIVJWSQLV-MNBJERMJSA-N 556.416 5.993 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 155255968 SWLXSYUNWJJBLG-NWDGAFQWSA-N 660.897 6.221 50 10 KKGE N#C/C(=C/c1ccc2c(c1)[C@@H]1CCC[C@H]1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1)C(=O)O 204058129 GOTRYMLNXIJMCB-ASHNFWSNSA-N 508.621 8.055 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C2=O)cc1 214394766 LFIDANMZKYSIMA-ZXSNDDASSA-N 606.682 6.919 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 232482599 ZOPIESLGPRCQDN-JTQLQIEISA-N 568.748 7.282 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 253537508 JBHLEOSHZKKTQZ-MIQGPBKMSA-N 693.521 6.391 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1 254490279 URRWOPVDAYDHNM-UHFFFAOYSA-N 539.673 5.410 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1 254507128 YUXRHNFIODWPBT-UHFFFAOYSA-N 533.657 6.161 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 254622379 KFBHDFRHCUBLPK-UHFFFAOYSA-N 812.885 6.976 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1c(F)cccc1Cl 256028305 DVHSRPGXDBAUGO-UHFFFAOYSA-N 635.968 6.980 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390669468 SMGHYMJYVYUSPO-UHFFFAOYSA-N 547.843 6.611 50 10 KKGE CC(C)(C)OC(=O)NCCN1CC[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)c2ccccc21 616676582 YOMSMHISDIMYNI-VWLOTQADSA-N 510.795 7.118 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705615550 GXZLIZWJXWACPP-LJQANCHMSA-N 589.880 6.551 50 10 KKGE O=C(NC1(CBr)CCCCCC1)c1cc(I)ccc1Br 713489793 FWKJBSVTXYEUKL-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE Clc1ccccc1C[C@@H](Br)c1ccc(I)c(Br)c1 721571719 IIEROESSQBANBL-LLVKDONJSA-N 500.399 6.386 50 10 KKGE Clc1sc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721595690 XNOVPIMSCMWWGY-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725388356 YFDJTFGLLJEULQ-RLPNJSHFSA-N 583.541 6.126 50 10 KKGE CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)OC(=O)C(C)(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 725543083 GALQTZFUDCGZIP-UHFFFAOYSA-N 524.699 5.403 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083879204 XUPJDGLQINGIJK-INIZCTEOSA-N 582.347 7.116 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl 1083902906 WVSCPSFYBGVDCY-ZDLGFXPLSA-N 535.349 7.536 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1 1084096882 PKZPUUVGNJNFBI-UHFFFAOYSA-N 647.968 6.337 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1 1084144930 BYVXVCYMRWQLQZ-RUZDIDTESA-N 512.448 5.528 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084191866 ZHEAEBMGGCRYMK-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084211544 XDZTWXCYHDPQPC-UHFFFAOYSA-N 532.778 5.752 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084301811 GZODSLSHELNHFV-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Br)c1O 1084432031 RVGNIUAVMCBDQO-UHFFFAOYSA-N 546.997 5.198 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653156 MUIIKVJLPHCAPR-LZYLMVFTSA-N 564.538 7.420 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747268 FSVQBLCNNAUUAI-CQSZACIVSA-N 538.963 5.741 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)c1 1772749949 SMCUJGMRRNVWLF-UHFFFAOYSA-N 519.557 5.825 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689482 AMDRIAWTUKQNBI-MUUNZHRXSA-N 575.466 7.099 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865691749 ADUVZDJPCHTWFN-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865692787 PGZKWRYGFMUADK-OAQYLSRUSA-N 517.468 5.804 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865693637 XOZXLHLSDUYOBR-QHCPKHFHSA-N 541.421 5.547 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OC 1865694770 BBPOVTMZNMCTQO-AREMUKBSSA-N 543.023 5.886 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697537 VXNRTXCXDJAXFK-XMMPIXPASA-N 527.452 6.537 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865702910 IACWMPKOSQAHTH-DEOSSOPVSA-N 527.422 6.309 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704254 RHJMVBBCRNXFOY-RUZDIDTESA-N 517.416 6.539 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704466 WLSAEAPRXFBNQT-MGBGTMOVSA-N 560.657 7.549 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704510 XRKKTPHUQGIFOL-GDLZYMKVSA-N 577.482 7.148 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705695 CJFXNVCFCJBWLO-OAQYLSRUSA-N 538.778 6.626 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865709158 PJYNYUBPLCKBLE-HSZRJFAPSA-N 514.944 5.396 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866213813 FCRCSEYARFDEQK-HAVVHWLPSA-N 529.593 5.307 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](CSCc4ccccc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866883097 DRMHALRPRKHWRQ-NDEPHWFRSA-N 578.719 7.047 50 10 KKGE Cc1cc2cc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866918126 NXKIKDKLVUUBHZ-AREMUKBSSA-N 542.686 5.421 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1OC 1868364957 JEUSYTJNOWFFHK-ZCYQVOJMSA-N 539.661 6.180 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4cccc(Cl)c4)CC3)nc(-c3cccnc3)n2)cc1 1868564519 CHWAETHJZYXBOS-UHFFFAOYSA-N 528.085 5.873 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750580 HLHFCDDIBJIFIT-BOLJVCIBSA-N 508.043 6.615 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1872781409 DVFFQACSOOTPBX-AWNIVKPZSA-N 510.240 7.351 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873940991 QSRQJXDKNRRPFH-KOAPHTDDSA-N 501.995 6.471 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1csc(Br)c1Br 1915753395 DOWDILLZSMMLDP-UHFFFAOYSA-N 510.089 6.089 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924593514 FTLUGSIBUPVURX-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1Br 2059285691 BSCNKOCKUOKDQD-UHFFFAOYSA-N 580.386 5.975 50 10 KKGE BrCc1cccc(OCc2cccc(Br)c2Br)c1Br 2092333721 REJSJPKKBDRCLS-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE FC1(F)CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141467820 CPKIFFVDVFLUCL-QMMMGPOBSA-N 546.269 7.452 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CCC2CCCC2)c1Br 2141468513 KRXSEUQXEOIDJC-SECBINFHSA-N 582.794 8.143 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470432 GYHKEGVYXQYOIG-YGKONGJQSA-N 580.778 7.465 50 10 KKGE Clc1cc(CC(CBr)(CBr)C2CCCC2)ccc1I 2142947612 UDWBPEWWWYTOPB-UHFFFAOYSA-N 520.474 6.454 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC2(CCCCC2)CO1 2166260563 JYUIWYZSWHYCGG-KWQFWETISA-N 507.513 7.055 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)cc2Cl)c1Br 2201073306 YWFODZJRJDHFSB-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)c(F)c1Cl 2201621943 QAXJFUJWCSSAFR-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Br)c(C)c2C)c1I 2218790666 NBEPWGMFZBTITO-LLVKDONJSA-N 500.037 6.525 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1Cl 2268264336 RCOOIFLLHLMIMD-SECBINFHSA-N 554.323 7.182 50 10 KKGE COc1cc(OC)c([C@H](Br)c2csc(I)c2)cc1Br 2278034707 QYUNWAUFHWOCKT-CYBMUJFWSA-N 518.008 5.617 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2283575421 VLVKSKODFMZIMG-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2293198193 GZSCILAKGYFHHU-HSZRJFAPSA-N 542.875 6.389 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507062 RJDMMKWKUGAPRX-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(=O)OCC)c1C 2296790019 JPVHTGLFWRNXBI-UHFFFAOYSA-N 514.028 6.330 50 10 KKGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 2297461988 RCXNDVVJWOCWJN-UHFFFAOYSA-N 508.585 5.842 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2297555017 HKIPKXKFNNXLHO-UHFFFAOYSA-N 510.457 6.611 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1COc1cccc2cccnc12 2297616709 DJXHYZPWUVIWHG-UHFFFAOYSA-N 518.598 6.492 50 10 KKGE ClC[C@@H](I)[C@H](CCl)OCc1cc(I)ccc1Br 2302820303 WEYSAJNOOLNWHH-MNOVXSKESA-N 563.826 5.220 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 2313631072 JYHLBIZYGVXCND-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591924 HTRKXZCJHUVBTK-XMMPIXPASA-N 568.482 6.466 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593445 MZLQIJRVAVUZSK-QHCPKHFHSA-N 540.472 6.452 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593571 PJXRIDIRNOEBEQ-DEOSSOPVSA-N 540.472 6.452 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314619576 BSCQRFAHUBRLLY-UHFFFAOYSA-N 617.102 5.544 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 2314755046 OWTCZGRKGWLKRE-UHFFFAOYSA-N 509.027 6.888 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C(C)=Cc2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 2330534940 WTQKEZFFTZXQSX-AREMUKBSSA-N 534.037 5.608 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1OC 2331266730 BKRSQTLLVDJGLP-QGZVFWFLSA-N 510.015 5.365 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccccc2Cl)cs1 2331266805 JJCJLALAQOHUMM-UHFFFAOYSA-N 510.240 7.531 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318480 QHDHYDHFSFTREL-XMMPIXPASA-N 501.608 6.102 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5c[nH]c6ccccc56)cs4)cc3C2=O)c1 2331346584 CKZJYCACWYTTOW-UHFFFAOYSA-N 516.582 6.659 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OCC)c1 2331386659 XGOVLXJAYPNKBW-UYAOXDASSA-N 503.624 6.010 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2(CC(F)(F)F)CC2)c1Br 2362229386 SSIISFJIPJBHMZ-JTQLQIEISA-N 503.353 7.173 50 10 KKGE COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 13749948 QIGYJXJZMWAPMT-RDKICWGTSA-N 504.011 5.722 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 29503228 GNMYMOCWXZGPRA-RQZLTBTFSA-N 586.739 5.607 50 10 KKGE COc1cc(/C=C(\C#N)c2nnc(NC(=O)c3ccccc3)s2)ccc1OC(=O)c1ccc(Cl)cc1 33458943 PQFHIJJZAMDFPF-CPNJWEJPSA-N 516.966 5.736 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 38659609 INOBZPPRGCVBHV-MHZLTWQESA-N 520.969 5.258 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 38684017 UKAAHQFKPSBEFX-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 38684693 CVORKUCMUHDGCC-SSEXGKCCSA-N 504.586 6.702 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38685456 LMAHGYUMZLLZDJ-GDJIYFAZSA-N 516.569 5.986 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)oc2c1 38688324 DURWSTBAIDIRGJ-XMMPIXPASA-N 505.357 6.794 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc4ccccc24)CCC3)cc1OC 40813540 AABRHSKSFYFJOA-IWBSIUBASA-N 525.605 5.201 50 10 KKGE CC(C)(C)c1ccc(COc2ccccc2/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 40924520 JNPMWYIWORTTMN-OCSSWDANSA-N 515.704 6.929 50 10 KKGE COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 40926813 DUHSEMYMGURRDH-CAAGMPDOSA-N 503.938 5.626 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(OC)cc2)C(=O)CCl)cc1OC 97914992 YDHJUVWECNMXIH-NDEPHWFRSA-N 531.093 5.640 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 100235311 IOCQWUXCZBOFEZ-ZSYYNXLFSA-N 536.426 5.262 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OC)c1 101367560 WSOBQBDZQHYAAU-MGBGTMOVSA-N 576.649 6.890 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 101371042 UANNEEPOJUQJJS-HXUWFJFHSA-N 516.724 5.992 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 101372205 NTQMSGZTCMKHBA-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101372277 PPUQFXYIRQMNLZ-WJOKGBTCSA-N 591.104 7.127 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OCC 101374716 YRMKXQNIIWGYPQ-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382715 ZZVDYDDMBTZNBW-WFNLQYPOSA-N 569.444 7.409 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385939 WDZKFVLXCZNYHP-HKBQPEDESA-N 587.459 6.947 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101396954 WBHYPQWACXYXCI-AREMUKBSSA-N 553.442 7.008 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(C)cc6c5C)ccc43)cc2)cc1 101397522 AIVCUTGSWVLBNK-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE Cc1c(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 102898386 KIJQPFMYQGIMAQ-STZFKDTASA-N 523.383 5.719 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c(C(=O)OCC)c1C 102924627 SIDRSJNTVRGRJG-GHRIWEEISA-N 539.635 5.693 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(C)cc1 102932793 AXQRZWZDMYHOSF-NVMNQCDNSA-N 585.354 5.347 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1Cl 102933152 OQNQFUOUBFAKOI-PXNMLYILSA-N 532.767 6.688 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 103797032 UQBNVOGSPIZLCK-LGJNPRDNSA-N 524.327 5.455 50 10 KKGE Fc1cc2c(cc1I)nc(CCCl)n2-c1ccc(I)cc1 116735330 QZKPLHZWQCVABG-UHFFFAOYSA-N 526.518 5.155 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 164626540 INYRPHYLPBUMLT-SAEPALGJSA-N 710.399 8.716 50 10 KKGE c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccc3c(c2)OCCOCCOc2cc([P+](Cc4ccccc4)(c4ccccc4)c4ccccc4)ccc2OCCOCCO3)cc1 196565649 DKVRNXDSBRGPII-UHFFFAOYSA-N 911.028 9.937 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214279274 YDTIDFIOMIHNDU-HWIUFGAZSA-N 576.656 6.911 50 10 KKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)NC(c4ccccc4)c4ccccc4)cc3)sc2c1 216978778 WATKKOGWHGCLAS-QQTULTPQSA-N 500.627 6.997 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)cc2)cc1 254315769 CJFWGRUNJABKAU-UHFFFAOYSA-N 500.602 6.499 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(SC)cc2)cc1 254444465 PBFMARQDYDCNNV-UHFFFAOYSA-N 594.671 5.321 50 10 KKGE CC(=NNC(=O)CCCCCCCC(=O)NN=C(C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 254546365 SKJFQRBDMKLNMQ-UHFFFAOYSA-N 520.677 7.104 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2F)cc1 254623363 JVMKMOFNJWKRLQ-UHFFFAOYSA-N 524.721 8.757 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254708604 OQGGMYXANBLYRH-UHFFFAOYSA-N 619.655 5.690 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2OC)cc1 254735640 OROGENWGRPQZHO-UHFFFAOYSA-N 512.562 5.716 50 10 KKGE CC(C)(C)c1cc(CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc3ccccc23)cc(C(C)(C)C)c1O 254742720 QXFWJEKHSMYCIE-UHFFFAOYSA-N 615.612 8.565 50 10 KKGE C[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)cc2C1 254792331 PMYWQBMZVWHNEA-JOCHJYFZSA-N 510.659 6.795 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)o2)cc1 254822996 IMOAJPUVBQUZFF-UHFFFAOYSA-N 637.714 6.291 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)nc3sc4c(c3c2=O)CCCC4)cc1 254870811 FQZAHGOVZIVEQZ-UHFFFAOYSA-N 582.755 5.679 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCCC(C)C 256028544 TYNSGJGAIDRUEH-UHFFFAOYSA-N 563.543 6.034 50 10 KKGE CCCC(C)(C)OOC(C)(C)C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 504052277 MQGVLLQFFLTSOQ-LJNRXERBSA-N 558.800 7.572 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCCO)[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504497669 SYROFTQISVVUNL-SXLOSVNLSA-N 641.058 8.827 50 10 KKGE in-vitro COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@H](OC)[C@H](OC)[C@@H]1OC(C)=O 575627454 RRWCFRRJDLLSIP-NUYPRQGGSA-N 628.747 5.082 50 10 KKGE CN(C)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2c1CCCC2 642814255 TUIHDMXZHQAUFA-UHFFFAOYSA-N 501.610 7.091 50 10 KKGE Fc1ccc([C@H](Br)c2cc(I)ccc2Br)c(F)c1Cl 689651489 NBBBONWTPCYACP-NSHDSACASA-N 522.352 6.470 50 10 KKGE COc1c(C)cc([C@H](Br)c2ccc(I)c(Br)c2)cc1C 721571739 ISPGYTVZZYUMOJ-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)S(=O)(=O)c2ccccc2)cc1Cl 725388984 GFXCLNFHYYOWCP-SUZFKMQNSA-N 659.183 7.050 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 725394415 NHNPRSXZWOONFK-QHCPKHFHSA-N 535.855 6.588 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1083953673 GFEWIUVCMFCKAK-CIAFOILYSA-N 552.255 8.034 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 1084045051 AEHPSZDTQWVLCZ-UHFFFAOYSA-N 578.510 7.867 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Br)cc1 1084050452 DBPYTOOAFORMLL-LICLKQGHSA-N 580.693 7.933 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=C1CCCc2ccccc21 1084136564 IYBCOTOGTQUYNV-UHFFFAOYSA-N 502.206 5.600 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1 1084292934 CTXDLVRHKXEKIY-DEOSSOPVSA-N 559.432 5.538 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1OCC 1084297408 HCWZPUPEONPXLZ-UHFFFAOYSA-N 616.534 5.075 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)c(Cl)c1 1084573616 GZBZYXVXMQEQKO-YBEGLDIGSA-N 522.215 7.433 50 10 KKGE CCN(CC)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c(O)c1 1614706322 VHLMESSWFHPBKR-RXVVDRJESA-N 508.400 5.026 50 10 KKGE COc1cc(C=NNC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C 1772721925 IKZVEZNFENVAFC-FOIQADDNSA-N 551.879 6.824 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865689142 LEEYMSAUGOGDFF-FQEVSTJZSA-N 518.923 5.619 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865691373 QGLDRHAOWINFAR-QHCPKHFHSA-N 561.004 6.789 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865694422 YBMLCQRPIURJKS-IBGZPJMESA-N 518.923 5.619 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865694840 CWYLOUGUNZUDIE-GDLZYMKVSA-N 534.660 6.703 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695646 QZMFDVDTOFHNPE-SANMLTNESA-N 535.406 6.483 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696291 YXUQYDNFNXYZCP-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCCCc1ccccc1 1865697612 YAIVPRAMMRKLMJ-MUUNZHRXSA-N 527.024 6.073 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc(Br)c1OC(C)C 1865698510 VXHWTGLGIQUBRA-GOSISDBHSA-N 549.347 5.668 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865702616 CCBUYBBNULUQRR-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703743 DQBZTNWURFECRP-SANMLTNESA-N 572.974 7.495 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704136 OIBRGQUBWLPFFX-RUZDIDTESA-N 503.389 6.285 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710138 PHUNYADJMQRKNR-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@H](C(=O)Nc4ccc(SC#N)cc4)c4ccccc4)ccc3o2)cc1 1866880661 NELDUPRXSOVBEZ-MHZLTWQESA-N 518.598 6.486 50 10 KKGE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867144194 QPLVZKIJODEQEH-BJKOFHAPSA-N 522.468 6.078 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867177037 ZJROOLGSXIZLON-XMMPIXPASA-N 522.634 5.037 50 10 KKGE Cc1[nH]nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c1-c1ccccc1 1867282180 ZKJLYJXESMMRHL-DEOSSOPVSA-N 527.675 5.629 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3cccnc3)n2)cc1 1868565153 JJVORMCRQMGHJP-UHFFFAOYSA-N 531.645 6.436 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922895592 XHZNSKOYQILQFD-VIFPVBQESA-N 507.867 6.730 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Cl)c1cc(I)ccc1Br 1924043620 NRFMSZIZKCERGD-XLKFXECMSA-N 515.414 6.295 50 10 KKGE Clc1cc([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1I 1925590631 YPICDMIZASFXOY-MRVPVSSYSA-N 516.840 7.451 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1Cl 2001996150 XTHVVUBDIXWOKO-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE Fc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1Br 2031480501 WIQKWYRJTYRUHT-LBPRGKRZSA-N 501.813 6.598 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2sccc2I)c1Br 2085494168 KLKZHFPXAICHHZ-SNVBAGLBSA-N 694.644 7.887 50 10 KKGE Clc1sccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494665 NBUWWZXPVHCXGB-SNVBAGLBSA-N 558.742 7.780 50 10 KKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500962 TUUQQZKIMJLOJQ-PTZCXBDSSA-N 568.767 7.609 50 10 KKGE CC(C)Cc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 2087333002 PPMHWEFBYLVMKM-OAHLLOKOSA-N 514.064 6.798 50 10 KKGE CC[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141470029 DLBMJLXRCVSWDI-GHMZBOCLSA-N 546.269 7.452 50 10 KKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(I)c(Br)c1 2146724787 KWKQMFXSCMAFDT-HZMBPMFUSA-N 515.027 5.127 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2165530445 JHUHTLMQCZULOU-OUCADQQQSA-N 535.896 5.930 50 10 KKGE CC(C)CO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 2165550902 GJAXCHKMESDSOD-OASPWFOLSA-N 632.445 5.300 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206396097 SFQGZANUTVQTMS-LLVKDONJSA-N 723.060 8.479 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)c(C)c1Br 2220154040 XYEZSFDJYDMFQV-FQEVSTJZSA-N 545.134 7.953 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Cl)c(C)c1Br 2235606021 UWGPKOQSOSDZGS-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1c(Br)cccc1CO[C@H](CI)c1ccc(Br)cc1 2283655968 WMYNJQSNDFJLRN-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE Cc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1I 2288495340 SBTQMODGJBUXTH-NSHDSACASA-N 580.830 6.887 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296647809 AWNISFMLTOFHNJ-UHFFFAOYSA-N 671.342 6.553 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(Cl)cc1I 2301087156 VIPRWTZSLAAZMQ-MRVPVSSYSA-N 510.420 5.469 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 2313568209 PNEVPIWIDPPNFZ-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)c1 2313636607 GJRTXVSSXOWLAK-UHFFFAOYSA-N 526.228 6.645 50 10 KKGE COc1ccc(C2=NN(c3ccccc3)C(=O)C2=C(C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2313682342 AKCJDWNAWRNOMA-UHFFFAOYSA-N 516.601 5.173 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314449728 SHQOKPDWTAYTHK-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 2314480748 NZIMRNZWVSVIDH-UHFFFAOYSA-N 537.424 7.704 50 10 KKGE Cn1nc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1Cl 2314490992 PGNAIVGQTWEYCB-MRXNPFEDSA-N 505.037 6.506 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617840 BTQDLPCCSNMADZ-HHHXNRCGSA-N 584.720 7.852 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634769 IZMLCYBBFGZXPA-MUUNZHRXSA-N 508.574 5.608 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643121 CJBDGEPGDNTSDK-XIFFEERXSA-N 613.497 7.726 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2314737521 RKWBIHJUXFPDBE-UHFFFAOYSA-N 550.611 5.822 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccccc1C 2314738958 YKKQZYLOVPBCNO-UHFFFAOYSA-N 566.053 7.928 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccccc4C3=O)n2)cc1 2331344664 DEHMRRZGEDNPGL-UHFFFAOYSA-N 501.608 6.248 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)n2)cc1 2331417708 KUTWHVCUZGUXLD-UHFFFAOYSA-N 521.469 8.331 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1Br 2360491541 HCJNPCFRHXGWQD-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(I)c1 2365595026 FTCSZOTXCYFRJC-CQSZACIVSA-N 528.409 6.126 50 10 KKGE BrC[C@H](OCc1ccc(I)c(Br)c1)c1ccc(Br)cc1 2377620439 AKJUWIZUQPYLNQ-HNNXBMFYSA-N 574.876 6.469 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)c1 1790140 LVVZQPWDVRCRGJ-QPQMVVSWSA-N 536.426 5.962 50 10 KKGE O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 4761624 QHTUAYNVNZMMJE-HPNXWYHWSA-N 523.558 7.523 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739813 MOOPGKBDIVHVIO-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2cccc(Cl)c2)cc1 37442141 LWOPLAUVBQWKNI-COOPMVRXSA-N 521.086 5.652 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38607568 CMJVLJQSIBECKC-YZSQISJMSA-N 527.020 6.153 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 38681677 RBZIQSSOCHSGSO-HHHXNRCGSA-N 518.997 5.948 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683480 DEHNWALPZPIQCW-HHHXNRCGSA-N 512.562 5.480 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 40529915 ASQMJKHTHOIJRF-HHHXNRCGSA-N 502.954 5.416 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 40530022 BBRSAJQXWRQAOC-WHLCRQNOSA-N 516.569 5.986 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1OC 40867020 UWGLNJSJKXGZOO-NCELDCMTSA-N 512.606 6.728 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCC(C)C 40924901 KRKWXHAWMHSQEY-MZJWZYIUSA-N 518.104 6.530 50 10 KKGE CCCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC 40944725 LNZCXGNPGHPNFL-NFZBEPFJSA-N 514.578 5.699 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccc(OCC)cc3)c2C)sc(C)c1C 58894394 OJZUQRKEXNSAPW-KSWAXPHNSA-N 525.671 5.312 50 10 KKGE CCCCCCCCCCCCCCCCCCOC[C@@H](CO[P@](=O)(O)OCCN(CCCl)CCCl)OC 100036897 UOGJZXUJZLEORY-NDEPHWFRSA-N 606.653 8.193 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 100232219 AYCHOBMVCRTQBK-SLLOZXFSSA-N 545.861 6.044 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 100236914 IWRWDFUNKVOPQW-ABZYITTCSA-N 541.988 5.198 50 10 KKGE COc1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1Oc1ncc(C(F)(F)F)cc1Cl 100373941 XIXXJXXOZJDLMA-MFOYZWKCSA-N 529.323 6.546 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr 100887761 SFVIZKWTUKBDIY-UHFFFAOYSA-N 501.722 12.324 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101337145 NRBZKSHLYSAXAS-NQANZJCKSA-N 620.709 7.043 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101338032 UVVBDJWCBXDUIX-WEMUVCOSSA-N 570.693 6.799 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)c(OC)c2)cc1 101368049 ZYHFJJMXDWKJEA-SSEXGKCCSA-N 540.616 6.266 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 101378319 NYIQQZVOZANEJK-GDLZYMKVSA-N 547.051 6.728 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380939 FFKWSLLBGVETAM-XIFFEERXSA-N 578.640 6.905 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383580 VPVOQGZAVSZZCF-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386633 FWDRYSDZKVYMSX-CKGOYRMPSA-N 583.015 6.904 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101389024 KGLXEYTWVNHAIJ-QTYPKTMWSA-N 598.602 6.534 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)sc2c1 101391865 YTEDJYICJYXMBE-JOCHJYFZSA-N 517.950 6.209 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396544 ZJTQPIRQCBFJHB-NDEPHWFRSA-N 581.496 7.789 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)oc2ccc(F)cc12 101398140 HASQXMYWCUCXKC-PMERELPUSA-N 546.554 6.897 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600139 RSJLOXUUHQVETH-HMZBKAONSA-N 536.588 5.809 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccc(Cl)cc1 101712213 RQKUVKPOVBTMTG-FJEPWZHXSA-N 559.888 6.517 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Br)cc1 102007293 XAHWHMGERJBVPX-KKMKTNMSSA-N 604.324 5.918 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 102685420 VMHANCOMJPBBIJ-KQWNVCNZSA-N 534.037 6.085 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(OC(C)C)c(OC)c2)cc1OC 102779311 VDBMFEPFRNCJOX-PMERELPUSA-N 575.146 5.690 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103730694 UGDKWNQSEGSELV-OVNWTWFZSA-N 555.441 5.514 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 103796402 DFERMNCWVYPGED-HZQMBONKSA-N 558.685 8.373 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1 103797082 TYIYEOGJKVXFKA-XICOUIIWSA-N 578.510 7.867 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 103876544 DHDSFBRQICDUAI-SEBMTOOBSA-N 533.635 7.091 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1cc2ccccc2cc1O 105448026 RPOXKXOJUIPKKJ-FDAWAROLSA-N 532.581 5.753 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc(Oc3ccc(P(c4ccccc4)c4ccccc4)cc3)cc2)cc1 118624119 HNKGNCJLOVOVAA-UHFFFAOYSA-N 538.567 6.995 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 150441899 JYTVDWDXAPVXSW-YTTGMZPUSA-N 628.037 6.428 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)sc2c1CCCC2 150485734 FWFXWFLHBIHXSQ-NLOAMEEBSA-N 660.192 7.206 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc1OC 254287516 IVVWHUWLTSROTI-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1-c1ccccc1 254760468 YTJIZCYWTCBBDF-UHFFFAOYSA-N 519.634 5.226 50 10 KKGE COc1cc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)ccc1OCc1ccccc1 1081105078 RDANHODOFZSFTR-UHFFFAOYSA-N 534.204 5.269 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1083920323 MECNSCMTUFKSOL-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc2ccccc12 1083932377 BLPYYIXUYDVMKQ-UHFFFAOYSA-N 577.862 7.744 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1083976964 JQGBBRBWCCSQMK-RGVLZGJSSA-N 678.151 8.638 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl 1084005550 SJCUEMRRKRZYTM-UHFFFAOYSA-N 602.710 7.683 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1 1084251057 YEYJABNUVXRLSH-UHFFFAOYSA-N 568.048 7.597 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084277878 YWVMBDDCCLLCEH-LICLKQGHSA-N 593.204 6.421 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084323674 KHJILVCXECDNFY-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1084523858 QXFAFUGVQHUNKN-UHFFFAOYSA-N 693.439 9.474 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 1084578853 JMWPJWHVVVHBPU-VWLOTQADSA-N 504.656 5.269 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2F)cc1 1084604258 QBNSLIHMOYWFAC-UHFFFAOYSA-N 597.510 5.650 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 1084647723 OOQPFRUPTRQTEN-DEOSSOPVSA-N 646.478 5.360 50 10 KKGE COC(=O)[C@]1(C)CC2=C3C=C[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]54C)[C@@]3(C)CC[C@@]2(C)/C(=N\NC(N)=O)C1 1565536901 UEHPPJREDWXIJQ-IGSICVGVSA-N 581.798 6.447 50 10 KKGE BrC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1616047115 PRCZFTMAGUTRJT-XJZSZEIDSA-N 617.580 7.122 50 10 KKGE C=CCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718778 PCHBCDVASSUIOJ-BASYDTHTSA-N 616.708 5.300 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772750848 AIOJBFLLQHUKHC-UHFFFAOYSA-N 540.579 6.365 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1O 1865684405 PWIVIQIQBAQKQP-OAQYLSRUSA-N 515.367 5.234 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865689755 DYBBUOAFGVFTNF-MHZLTWQESA-N 559.041 6.797 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865690140 JPUXVXTXBKMYTA-NRFANRHFSA-N 500.496 5.876 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865691260 NZTUZMRNFPJYHI-NRFANRHFSA-N 513.520 5.472 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865692219 CVDKQPBRTRZQAP-SANMLTNESA-N 522.605 5.623 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695118 KIZCJYSTVXVDKL-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865704986 JPNVXGFXYFVDOR-RUZDIDTESA-N 514.988 6.396 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975972 VYNKCGFUNKTPCY-RPBOFIJWSA-N 554.485 6.267 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867040668 UBBYJWVXYOWXEU-WJOKGBTCSA-N 563.723 6.969 50 10 KKGE COc1ccc(F)cc1-c1cc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867105575 JOXRCSOVTMJYJQ-RUZDIDTESA-N 575.691 5.478 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868253054 BADWSTWJRJPRMO-LJAQVGFWSA-N 511.626 6.273 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccc(Br)cc3)nc(O)c2cc1OC 1872727435 ATMZOYAGTPCKOX-WOJGMQOQSA-N 548.393 5.767 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872750303 ASZQNWMWYPFILY-QOCHGBHMSA-N 516.579 5.885 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872753210 LZTVEAGEHRJFDY-BOKVAXDPSA-N 515.635 6.637 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 1872756379 JJFIEZHQKNGZNX-BWAHOGKJSA-N 515.031 7.008 50 10 KKGE COC1(C(F)(F)[C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923075000 VNBTXASTOSXQSC-SSDOTTSWSA-N 503.428 6.567 50 10 KKGE COc1cc(OC)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924601012 IKGYUIDLLXPQTG-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1I 1924614158 WXKVSSDQAOZRSB-SSDOTTSWSA-N 633.738 7.264 50 10 KKGE C[C@@H]1CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924614181 MZBYVRNUNVECFC-BHNWBGBOSA-N 509.927 7.298 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925586329 XWUKVHPJSZJIEJ-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Br)ccc1Br 1950207830 LCQUDORJEPRIOR-NSHDSACASA-N 503.879 6.828 50 10 KKGE O=C(CC12CC3CC(CC(C3)C1)C2)NNC=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 2042445658 ZYXXAPZUCGPPPV-UHFFFAOYSA-N 523.555 5.461 50 10 KKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1c(Br)sc(Br)c1Br 2043522772 ZEGYXQXKSHOGDY-SGBSPZQDSA-N 531.836 5.753 50 10 KKGE FC1(F)CCOC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2047871399 FEOMOHKDIZJILG-NJGYIYPDSA-N 533.852 6.143 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(I)cc2)c1Br 2083317199 DIBCZQPRWMUEEW-CQSZACIVSA-N 500.399 6.453 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1I 2086023690 OHPXMERSMFSAEM-SECBINFHSA-N 540.873 7.215 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2142292792 XMQIVVMMBSNNBZ-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(I)ccc1Br 2179634921 AJBRRTUYSCKIQR-GWCFXTLKSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201067868 BSIYTDKUANLWJT-INIZCTEOSA-N 525.904 7.384 50 10 KKGE CC1(C)CC12CC([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206395169 MPCSAQIJXCZFEZ-CFWSUUBLSA-N 550.354 7.843 50 10 KKGE CCOc1cc(CBr)cc(Br)c1OC[C@@H]1CC1(Br)Br 2224799858 BAIRSRXQRQOUMF-VIFPVBQESA-N 521.869 5.628 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225633585 KDJLOTQYGOMDKS-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1C 2253472567 BRKZPRMFDULZGO-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(I)ccc2F)cc1I 2269534837 RSECIJVPZGZKKT-CQSZACIVSA-N 502.492 5.372 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1Br 2288346451 JPMFYLNZVZDZQA-SECBINFHSA-N 533.830 6.931 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccccc3Cl)o2)cc1 2295482917 BJPGCWHWUGOQQL-UHFFFAOYSA-N 512.997 5.587 50 10 KKGE COc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC 2295948554 JJJVYWCGNNCFQJ-UHFFFAOYSA-N 510.369 5.673 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313511027 JPGRJWRGDUFWKQ-UHFFFAOYSA-N 607.275 7.348 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)cc1I 2313511132 PQVBXAKKNZTLGU-UHFFFAOYSA-N 586.167 5.015 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 2313564900 FEMYWENFENBIED-UHFFFAOYSA-N 508.224 7.354 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(I)cc1 2313566816 BBESHZZSYZDXMC-UHFFFAOYSA-N 658.334 5.897 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)cc1Cl 2313630730 FVWIRXQELYMYEU-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 2314476298 MGEAAVSBTFYBMO-UHFFFAOYSA-N 595.725 6.048 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314486933 FXCLTTNUBSEQNS-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 2314532503 JQZZEXZATYLTMO-UHFFFAOYSA-N 542.979 5.479 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2314572328 YOMKAECMXHPYRF-UHFFFAOYSA-N 501.873 7.715 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591746 CPVJJGKXBBEEGM-VWLOTQADSA-N 568.482 6.466 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591829 FRRZLOYCOAPVAQ-RUZDIDTESA-N 518.038 6.112 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 2314634344 GFOLYQQHVHUXQU-SSEXGKCCSA-N 579.480 7.264 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 2314640755 WBNKEVVNCLTDQW-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 2328799966 KMDKYCDFQIRJRV-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE COc1ccc(CCN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccs5)cs4)cc3C2=O)cc1 2331326273 RAVQRBNJGIPCBR-UHFFFAOYSA-N 513.600 5.669 50 10 KKGE Cn1cc(I)c(COc2c(Br)cc(CBr)cc2Br)n1 2341859467 KREUGWLGXXHBKK-UHFFFAOYSA-N 564.841 5.024 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2363275801 SPASFTSIDOQVJK-AWEZNQCLSA-N 505.472 7.502 50 10 KKGE Clc1ccc([C@H](CI)OCc2cc(I)ccc2Cl)cc1 2380352301 AYYTZZXEBOWDPT-HNNXBMFYSA-N 532.974 6.291 50 10 KKGE O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3230196 WWUAYPOUSMIQKP-DMWWXTJWSA-N 532.441 7.720 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38650863 XBHQTVMFIRTBMJ-SSEXGKCCSA-N 512.606 6.191 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 38681055 QRUOXBGNWZFXAF-NDEPHWFRSA-N 512.562 5.486 50 10 KKGE CCCOc1ccccc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC 40945340 JSKIWFRHSLTIRQ-YIERMTIQSA-N 500.551 5.309 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)cc1 59304322 BKLKWRUVNDBDJS-FADJLKOXSA-N 510.597 6.667 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914979 PVTDDEYFUYWGDX-MUUNZHRXSA-N 515.094 5.940 50 10 KKGE N#CC(/C(O)=N/c1cc(Cl)ccc1Cl)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968941 DSGZYDLXYYXXID-UDXHRHDRSA-N 573.299 7.470 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100172621 RXBQCGKNTVJOHY-UHFFFAOYSA-N 544.490 6.002 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174857 HYHSUHQFTZBPPY-UHFFFAOYSA-N 565.251 5.368 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 100237407 YGZJEZKWNBYMSK-RQUFEXHESA-N 561.078 6.834 50 10 KKGE CCOc1ccc(/C=C/C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100309080 BZYRJHSVIVWLRO-LFYBBSHMSA-N 548.231 5.003 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 100452133 KLMGZRLPLYXMCS-OADPBGPJSA-N 536.253 6.299 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 101339437 GJESDNCZWADABD-JVWAILMASA-N 546.602 6.178 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc([N+](=O)[O-])cc5)ccc43)cc2)cc1 101378652 GWVFMMUUEOIQQT-HKBQPEDESA-N 563.566 5.685 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384044 NSWZECXNNPCJHQ-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101388982 PGGWXUXRSHROIA-MGBGTMOVSA-N 596.611 6.015 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101389063 CKZHAQHKQAGSPK-MGBGTMOVSA-N 629.084 7.276 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCC(C)C 101395554 URYPAOYZXSESLX-NDEPHWFRSA-N 559.018 6.875 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 101608214 DBXGXRRAVYDBPM-JJKYIXSRSA-N 540.536 6.040 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5Br)c(C)c43)coc2c1C 101619861 KWMTUDOWECWYHL-DFKUXCBWSA-N 591.462 5.188 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 102623490 ZJDGUZDMDCTXCK-PDGQHHTCSA-N 535.456 6.814 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)ccc1OCc1ccccc1Cl 103563218 DSNZJPHQQPJFTQ-KVAAJVFYSA-N 592.479 6.671 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)cc1 103735926 IIGKMHQKEXVYPT-UQQQWYQISA-N 534.641 5.775 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743163 IFYLIBDUDXMBIS-GUNDDFSMSA-N 532.463 5.500 50 10 KKGE COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Cn1nc(C)c(Br)c1C 104956628 NLSKFKJHNFRHML-OCSSWDANSA-N 531.454 5.602 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2Br)c1 109844367 FWMGQBPPLDJEAE-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE Brc1ccc([C@H](Br)c2csc(I)c2)c2ccccc12 124447688 HRIDOQVXDRKTBJ-OAHLLOKOSA-N 508.016 6.753 50 10 KKGE Brc1ccc([C@H](Br)c2cccc(I)c2)c2ccccc12 127453842 CSXHBZPGXLCEMY-QGZVFWFLSA-N 501.987 6.691 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2C)cc1Br 128756046 QYXLUBSQTVTTGZ-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(C)cccc1P(C1CCCCC1)C1CCCCC1 148117839 LYGKPHGURUWDCX-UHFFFAOYSA-N 562.718 9.501 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150404011 BGEPVNZSCQVJIZ-AWEZNQCLSA-N 629.143 5.738 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430546 GTFHZDZMFSKOPM-UUWRZZSWSA-N 635.116 8.427 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 150461502 CWUWHLDWHGONSQ-JGCGQSQUSA-N 679.984 8.851 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccs4)c(NC(=O)c4ccc(Br)cc4)s3)o2)cc1 150480617 AKDOOQVGOFXTGD-LTGZKZEYSA-N 630.545 8.387 50 10 KKGE Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1Cl 150611336 PSHDFNOGXTXDLH-NUQIMWQUSA-N 650.755 5.572 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 214304997 DWNVNBHYBNVZEV-ONUIUJJFSA-N 524.621 5.264 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214335531 BDVJVUGHDPOYRQ-GDORNDHESA-N 554.650 6.766 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)ccc1OCCN1CCOCC1 252626003 QUBINXBVHLIHBG-UHFFFAOYSA-N 566.702 5.683 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 254490703 CJELQCZHBXLWLD-OAQYLSRUSA-N 613.740 5.780 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](Br)[C@@H](Br)CC[C@]4(C)[C@@H]3CC[C@@]12C 254759232 MJONUVUVBROXRW-AFGNHBCKSA-N 530.473 9.245 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2OCc2ccccc2)c1 254762527 GAWHMMIWQLGARR-UHFFFAOYSA-N 514.581 6.710 50 10 KKGE O=C(NN=Cc1cccc(O)c1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254797471 FERUEHRYMUVWQK-UHFFFAOYSA-N 507.497 5.637 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254924736 ZXMORDVBLYYOFW-UHFFFAOYSA-N 614.751 5.203 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)sc(C(C)=O)c1C 256017650 YDSUIWBMZNUNJD-UHFFFAOYSA-N 544.029 5.832 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019932 MUQIWWZCIJTIOK-KSADMFMESA-N 624.366 5.815 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1C 256028508 QSQNXFHUHCNFEE-UHFFFAOYSA-N 504.637 5.344 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cccc(Br)c1)C(=O)OC(C)(C)C 303741176 HXMFDOLLADCWJD-GOSISDBHSA-N 512.226 5.416 50 10 KKGE Cc1c(Br)cccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1CI 382694839 SVRAQIGZXCNIPU-AEFFLSMTSA-N 514.201 5.545 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607870 CBSJFDSAZYQZKI-FQEVSTJZSA-N 524.890 6.570 50 10 KKGE BrCc1cc(Br)c(OCc2ncc(Br)s2)c(Br)c1 713719156 ZXNSFLLFUPICRR-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cccc(I)c3)c2O1 720048972 DMRCBVRIMDWKEI-RFAUZJTJSA-N 507.991 5.861 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 725383732 BZZGURJXHYNGBX-XMMPIXPASA-N 570.300 7.242 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)C(=O)O 888085924 JDNCCENFXJWTKB-NEXFTESESA-N 562.908 7.425 50 10 KKGE O=C(NN=Cc1ccccc1Br)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1083904709 MQYIPXYBYIMVQS-UHFFFAOYSA-N 548.462 5.609 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084141170 RMWFWRVUHWYIOA-NLRVBDNBSA-N 586.486 5.711 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1084156949 RKPNAJQAWPWEBE-RUZDIDTESA-N 555.469 5.708 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)cc1 1084285189 ORIJOSNQVIRZSH-UHFFFAOYSA-N 568.621 5.767 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1084300218 KNWRWZHZWMSAND-UHFFFAOYSA-N 594.509 7.567 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084357549 BALQDARUKLLILB-UHFFFAOYSA-N 616.262 6.428 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)c(OC)c1 1084377124 KIYBEIACTGSFPU-UHFFFAOYSA-N 509.400 5.294 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1 1084421039 CDKIZRXJBMCBCG-UHFFFAOYSA-N 521.573 5.629 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(OCC(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 1084472158 FGYGMTDUYXBZAV-UHFFFAOYSA-N 590.145 6.843 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084616746 UQDCOHQOYUOYBQ-UHFFFAOYSA-N 581.541 5.312 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744376 WLNGKZHIBBMMAL-OAHLLOKOSA-N 506.400 5.412 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865688872 CZMYHDOMSYGKST-GDLZYMKVSA-N 541.051 6.398 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695624 QYRKYJKDOVAZMD-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cc(Br)ccc1O 1865696145 KJTLBQJCXMMNSP-HNNXBMFYSA-N 511.685 5.231 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701266 RAELHRTVIBLPSW-IBGZPJMESA-N 578.692 5.986 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865702765 DVAOOSPTGISMOO-XMMPIXPASA-N 547.537 5.790 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706233 QVYZBOZDNCZDES-XMMPIXPASA-N 532.959 5.332 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1866128832 OMGOLRXPPDVRTD-SFKKXYGYSA-N 501.446 5.994 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866670937 UQHAHVRHRQZUBC-RUZDIDTESA-N 544.608 5.280 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866911409 INFQPZDZLNDROY-VWLOTQADSA-N 528.659 5.514 50 10 KKGE CC[C@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 1867139750 YOSZMRZQVRMAJW-DWXRJYCRSA-N 552.494 6.411 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1nc(O)c2ccccc2n1 1872727023 ZGLDZYZMMIXCNW-MHWRWJLKSA-N 527.205 7.048 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1OC 1872745475 OOEBQOBVNGFKDG-CYVLTUHYSA-N 500.420 6.815 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccc(C)cc1 1872793216 NUVPXIMGDMDSCA-MFKUBSTISA-N 510.659 7.786 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1915773126 DXABVOGTFJCFRK-UHFFFAOYSA-N 510.089 6.089 50 10 KKGE Clc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923070793 FAGSBVGLAWCUPU-LURJTMIESA-N 528.318 7.912 50 10 KKGE Clc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579981 MSBDXPNNWGLUIF-YFKPBYRVSA-N 530.326 7.235 50 10 KKGE COc1cc(F)c([C@H](Br)c2sccc2I)cc1Br 2082780466 GIBZCRGFVCLFHU-NSHDSACASA-N 505.972 5.747 50 10 KKGE CC1(C)CC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493882 IGKTVWWLWITZAQ-PWCHPLFNSA-N 524.316 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2(C3CC3)CC2)c1Br 2085501458 ZYWJNVJZZGJKLU-LBPRGKRZSA-N 566.751 7.363 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1Br)c1ccccc1Br 2092336496 YKZMGLWNALCUSL-NSHDSACASA-N 511.877 6.695 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 2101013212 AGMHMZBESKEJEE-LBPRGKRZSA-N 514.020 5.843 50 10 KKGE Cc1nc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 2113185493 QVHBGHZJQUPUPI-JTQLQIEISA-N 515.008 5.238 50 10 KKGE Fc1c(Cl)cccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 2113471690 UEGRULYDFUUCGD-LURJTMIESA-N 556.314 7.507 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Br)c2Br)c1Br 2138863404 MAKZKEPWWRWACE-ZDUSSCGKSA-N 576.746 7.529 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1scc(Br)c1Br 2139012615 GDAIQZOVCLFKBH-JTQLQIEISA-N 533.905 6.837 50 10 KKGE CC[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141469485 AVIRSFGSGBFAOL-CDUCUWFYSA-N 592.736 7.854 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)cc1Cl 2142279469 QPVXCRCVBVFBOC-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(I)cc3)cc(Br)c2O1 2146630537 XZXUJVSSROHUPK-BJOHPYRUSA-N 507.991 5.861 50 10 KKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1ccc(I)c(Br)c1 2156334058 GRTDKNQJGMXXMH-JTQLQIEISA-N 517.043 5.231 50 10 KKGE BrC[C@@]12CCCC[C@@H]1N(c1ncc(I)cc1Br)CCC2 2189899176 ATRUAHFXBSKTRZ-ZFWWWQNUSA-N 514.043 5.373 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1Cl 2201617175 DAKKWVJWZLUACB-LLVKDONJSA-N 509.797 7.281 50 10 KKGE Cc1nc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)s1 2218596471 FGWARYYQJWJJSI-SECBINFHSA-N 522.857 6.362 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sccc2Br)c(C)c1Br 2220159538 WEKGGZMBTKBUJW-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2F)c(C)c1Br 2235609957 PGRFBXUJRLMPAQ-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ncsc1Br 2259999009 KSJBCCZXYKNMPX-SSDOTTSWSA-N 526.820 6.193 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1 2294193413 NGFPIWBMXZIEAU-UHFFFAOYSA-N 556.254 6.735 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507013 PHHRKJBYYFUAEA-OAQYLSRUSA-N 563.293 7.365 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 2296721766 QWQSCRKGKJJEEN-UHFFFAOYSA-N 508.578 5.729 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C#N 2313571303 RWGDLUVNAWXWGY-UHFFFAOYSA-N 512.780 6.652 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630224 AGMUZEHBRFUSLP-UHFFFAOYSA-N 536.426 6.525 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591730 CMYKVORSOLYPMG-VWLOTQADSA-N 551.590 6.478 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2F)C(=O)N1c1ccc(C)c(C)c1 2314592565 XTFOJHNTYOPQRI-RUZDIDTESA-N 501.583 5.516 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C(C)=C(C#N)C2=O)cc1 2314620340 NKJBIIGXTGCBKQ-UHFFFAOYSA-N 507.373 6.097 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 2314620397 PEFFQZDVMWLMSW-UHFFFAOYSA-N 503.385 6.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 2314640721 QSTDPNMGZXJOOK-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1 2314760358 MXBJCKAJMSAOMQ-UHFFFAOYSA-N 520.585 5.813 50 10 KKGE CC1(C)CC(CBr)(CSc2cc(I)ccc2Br)C1 2321741806 ROSFXVGNZKYRIM-UHFFFAOYSA-N 504.069 6.347 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Br)n1 2331282128 GXNOTLCFIMBWER-UHFFFAOYSA-N 505.821 6.886 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(OC)c1OC 2331412494 CCNYAAIURZZTNV-UHFFFAOYSA-N 520.394 5.365 50 10 KKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 2331480297 FZHLWFVOAOICLY-UHFFFAOYSA-N 503.451 7.767 50 10 KKGE Brc1cc(I)cc(O[C@H]2C[C@H](Br)C23CCCCC3)c1 2338756932 FEYBCKCGJMHLTH-KBPBESRZSA-N 500.012 5.919 50 10 KKGE Clc1ccc(C(CBr)(CBr)Cc2sccc2I)cc1 2338757359 ISCBHWQKRPNRCC-UHFFFAOYSA-N 534.482 6.276 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2362222070 CIKNKAKAVKSOAQ-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 29503174 ATMLUDOATZSXQM-FXVMGJAWSA-N 565.699 5.814 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 33366538 IPUKQWDDESHUND-RAMZYJDASA-N 502.039 6.276 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 33390334 UQBFLWVJLDRYEC-SDXDJHTJSA-N 500.942 5.393 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 38650573 KUGMNLMVLICBDJ-SSEXGKCCSA-N 502.570 6.041 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38660061 PIEMTEUDWFGXCM-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38686200 XKXHHTUBEVPATG-JRPXNJEYSA-N 526.633 6.409 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 40959631 HFCBAXUPBOLYAV-AXVACJNXSA-N 515.009 6.512 50 10 KKGE C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59304235 GGIXYBNMJDPMMC-STKMKYKTSA-N 503.602 5.966 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1F 59886869 ZQVNSDTYNNMMMG-VAMRJTSQSA-N 515.610 5.371 50 10 KKGE Cc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)n1-c1ccc(Br)cc1 96022471 LUQQLSVFZOJBJU-UNOMPAQXSA-N 539.296 7.807 50 10 KKGE CC(C)COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)n1 98017985 GWJHSXRKKOFRFR-QHCPKHFHSA-N 528.962 6.907 50 10 KKGE Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(C)c1 100114004 VVFHERLXPOSIID-BMSZIDLJSA-N 608.163 7.851 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)N/N=C\c3ccc(OC)c(CSc4nc5ccccc5o4)c3)cc2)cc1 100185548 UMVGMABZKHKFNP-APTWKGOFSA-N 580.666 6.082 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 100235331 RSRFYQMWXPACMZ-BIRDKGHYSA-N 614.751 7.351 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 100238149 GEBGCCPJTITRCQ-WYDFGVIMSA-N 541.442 5.399 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1 100336228 ZBRFIXFZUGFVJM-YVLHZVERSA-N 576.672 6.998 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034262 XNGKCEQRDQIMSV-FRKPEAEDSA-N 592.014 6.016 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113172 MEHCZERTSAAQMD-OGLMXYFKSA-N 536.213 5.775 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246754 CPVJJGKXBBEEGM-NSSVPSLESA-N 568.482 6.466 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101334361 SHZGEGAHJLVWQL-VDIHWLEOSA-N 577.084 7.162 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101337473 XNDADFVKPUISCB-RSAIGHIKSA-N 534.619 7.046 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Br)cc1 101363735 FRKMTPOPWVQFPB-RPXNDYEYSA-N 542.216 6.593 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc(OC)c1OC 101368746 GDCPRZWXBKCGED-SSEXGKCCSA-N 548.595 5.668 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373603 VJHDERCNZLJMCA-AREMUKBSSA-N 539.415 6.618 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 101375256 BJFYOBMRZYQZCV-SSEXGKCCSA-N 526.633 6.790 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378518 PMOWEFXENOULLO-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382781 ZWYVBIJAIWKCPL-PTRALIJHSA-N 565.025 6.765 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)sc2c1 101390877 MKWMJTDHKKUIEN-LJAQVGFWSA-N 579.077 7.880 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101393371 SSJOJWDKSURQDP-GDLZYMKVSA-N 573.045 7.266 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OC 101394877 WNBRNOBXAHSFHE-LJAQVGFWSA-N 563.050 6.754 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCC(C)C 102680608 XTJJEZBQEQYOFK-VEILYXNESA-N 546.092 7.264 50 10 KKGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12)c1ccccc1[N+](=O)[O-] 102739206 KRYFZGLHYKFDDY-WVLDPRMZSA-N 576.996 5.215 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 102832686 HOKHBRIQVMYINW-NQUVTRGKSA-N 563.683 5.417 50 10 KKGE N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 102935056 VACHKHUPROVDCR-UYRXBGFRSA-N 518.356 7.179 50 10 KKGE O=C(Cn1c2ccccc2c2ccccc21)N/N=C/c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 103746952 NGXSGWOWCVTPFH-QNKGDIEWSA-N 546.631 5.175 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2ccccc2o1 103879364 HSUDGXFPVIWBKD-LGJNPRDNSA-N 528.200 6.301 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 103881162 CBQMNUMVRHLBDI-HASSKWOGSA-N 577.515 8.526 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cccc(I)c1 125720034 BYAAXHYSRXHGIN-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433581 SOIMZWPNZXVSKS-PMERELPUSA-N 656.349 8.715 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 150484665 JGIOXRHEQLUMBP-PMERELPUSA-N 635.475 7.556 50 10 KKGE O=S(=O)(/N=C(\SS/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 150655599 RZFKFTQKHNPYKP-IDDWGTJGSA-N 710.516 7.564 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)cc1OC 161086367 XOOKQJBWMHVYEE-HNNXBMFYSA-N 543.875 6.476 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OCC 207294974 QKCATRUGROLHQN-SZVNPNTASA-N 507.583 5.752 50 10 KKGE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 211936668 DAFUESOPGJPQDO-HMMYKYKNSA-N 581.185 5.660 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 214311499 MOEOYXONJTXXNJ-RHANQZHGSA-N 541.611 5.600 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)c(Br)c1 234991930 QQFZEFAAUXNSKT-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)ccc2I)cc1Br 236043965 WTDRGNPMURTHGU-JTQLQIEISA-N 571.297 7.015 50 10 KKGE CCOc1cc(C=NNC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 252620096 LXIYKHHWOXBTEA-UHFFFAOYSA-N 689.003 7.872 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCc1ccccc1 252632013 VODVSXKDQOLHQD-GDLZYMKVSA-N 657.705 5.663 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 253537568 PRCMMETVWMEYKS-JUTLOXCPSA-N 649.070 6.282 50 10 KKGE CCN(CC)c1c(/C=N/NC(=O)CCCSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)nn1-c1ccccc1 253561111 BRPXWCJHCNMQHM-WPWMEQJKSA-N 551.698 5.567 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)s2)cc1 254749823 VMSSPGHBOFRTFK-UHFFFAOYSA-N 514.701 6.688 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1 263632186 MYWHVTWALLMJMS-UHFFFAOYSA-N 645.145 7.039 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2Br)C1 382687668 KMFHTINFMRDJLN-WMLDXEAASA-N 532.070 5.959 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)c(F)c1F 398590862 PKPSCWMXRFKLHE-LLVKDONJSA-N 584.793 6.718 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616585467 MUWOVNLLXDFHQS-BJLBDRGHSA-N 987.224 11.659 50 10 KKGE ClCc1nc2ccc(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705869020 HYRAINWDSTWSBU-UHFFFAOYSA-N 510.863 6.009 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721617205 WGKKFQJLFHSAIE-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 725434977 HJXDOEPHQRTPLW-UHFFFAOYSA-N 665.603 5.544 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 1083913651 KZWVFWISGBERHA-DEOSSOPVSA-N 763.208 6.600 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 1083956814 SLNNWLVZMVXQBO-ODLFYWEKSA-N 511.803 6.544 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084203231 OTLSPFCDLYBCKQ-QHCPKHFHSA-N 709.662 5.796 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1084419673 SDQZYUXOKASLTB-UHFFFAOYSA-N 500.382 5.287 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1 1084428832 HLKATDQQYMSVMV-UHFFFAOYSA-N 612.705 8.107 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084446481 IBLOCWNJFUXVQM-UDWIEESQSA-N 561.296 7.135 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl 1084542447 WVNHSFLRVGQPID-CIAFOILYSA-N 539.857 7.243 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 1084591947 MNAZILJZIVMWGB-UHFFFAOYSA-N 554.488 7.272 50 10 KKGE CCN(CC)C(=O)/C(N=C(c1ccccc1)N1CCOCC1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1088587102 ZZNJHQDPVHXOCV-BKGICHQMSA-N 652.799 6.997 50 10 KKGE CN(C(=O)c1cccc(Cl)c1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613977079 OCSCRSNTLCOIRB-PMWNKBIASA-N 534.897 5.600 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614615770 PRQGUTCFHIXHCX-PBHICJAKSA-N 500.720 5.035 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614690214 DLOQTZZCSRBIFN-WMLDXEAASA-N 568.171 6.255 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689241 NCYIIGLTIRVOMF-LJQANCHMSA-N 539.341 6.213 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)c1 1865690620 XBNOPVXWRRIWBE-RUZDIDTESA-N 512.997 5.877 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 1865692760 HXAFIOJORFIIGN-PMERELPUSA-N 540.623 6.654 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccc(F)cc3)cc2)cc1 1865692802 ILRYLVRWUFXYTC-XMMPIXPASA-N 534.513 6.195 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695894 VHHGIAAWPWSCRM-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865696246 CXSGXHBQGZRUCI-DEOSSOPVSA-N 510.997 5.692 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865696713 QLBLLFBBOSEYDU-SSEXGKCCSA-N 564.686 6.711 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702079 MFEXTRLKTVNKFI-XMMPIXPASA-N 545.412 6.035 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703383 UXWISCARZPOHCW-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710657 DMWUVAQOAOHURN-QHCPKHFHSA-N 518.495 5.793 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983568 SKXHSHJFYORENA-RPLLCQBOSA-N 535.641 5.522 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1 1868342760 ZDLCGTSPEFBPQQ-LJAQVGFWSA-N 521.690 7.252 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1OC 1868456090 JKLBNWJXALEOHU-UKILVPOCSA-N 557.651 6.319 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1868544229 AXKCFEPZFMKQOR-UHFFFAOYSA-N 578.786 7.131 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 1872758255 SBHHUFMYHUXZRN-VDVBZYJVSA-N 500.001 5.547 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1OCCC 1872818381 ZIZBKVWNOSNUAC-CAMHVTRGSA-N 515.462 8.201 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 1873941036 SVTPDKFBUZATIB-ULLSICJUSA-N 509.587 5.986 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924582880 BZQAGGDLMBABBB-MRVPVSSYSA-N 507.842 6.659 50 10 KKGE CC(C)([C@@H](Br)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924584626 ALZYTSUQOVKCIQ-LURJTMIESA-N 533.927 5.295 50 10 KKGE Fc1cccc(F)c1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924600348 QGARKJHMDMJNBK-ZCFIWIBFSA-N 539.859 6.993 50 10 KKGE C[C@@H]1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924614784 RBAASUMLMDJJDP-KCRUCZTKSA-N 525.926 6.675 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(Br)s2)c(I)c1 1995285603 INANTHDYZVPIFX-NSHDSACASA-N 536.852 6.362 50 10 KKGE Cn1ncc([C@@H](Br)c2ccc(Br)cc2Br)c1I 2024279851 RYISGLRLHQCSMX-JTQLQIEISA-N 534.815 5.034 50 10 KKGE CCc1nc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)s1 2050331786 RFWBLDXEHQYPTL-YFKPBYRVSA-N 559.368 7.192 50 10 KKGE Cc1c(Br)cnc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2065288053 NDNZCPKTJAGOOL-UHFFFAOYSA-N 511.895 6.376 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2175011203 VAXFGTFDHYNQMF-OUCADQQQSA-N 535.896 6.074 50 10 KKGE CN([C@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179791661 UQXBRWNMPKDQPJ-OAHLLOKOSA-N 536.355 5.079 50 10 KKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2179858641 REOHVGFWVVVDAN-HNNXBMFYSA-N 529.319 6.358 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)oc1Br 2218602431 FTOPJWQZGBXDHU-LLVKDONJSA-N 505.801 6.499 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2226089964 UHMNJDILYAGJNS-GFCCVEGCSA-N 661.671 8.353 50 10 KKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162323 UUTVUICWTJOVDO-NOZJJQNGSA-N 598.793 7.520 50 10 KKGE O=C(Nc1ccc(OC[C@H]2C[C@H](Br)C2)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2248250357 WDJGPLMCSVOYRY-QAQDUYKDSA-N 522.395 6.298 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)c(Br)c2)c(Br)c1Cl 2283564725 ZTNJULRRVIVLOZ-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 2296722588 ZTPVIAROKAUCPY-UHFFFAOYSA-N 542.798 5.241 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 2297470647 FJVPPSUHXRCNTB-UHFFFAOYSA-N 536.407 5.205 50 10 KKGE CCOC(=O)C(C#N)=CC=C(Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 2297534965 MMJSWHVYSWNVOO-UHFFFAOYSA-N 508.641 7.495 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571111 NOXNLHKYEGFJFE-UHFFFAOYSA-N 567.185 6.862 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314491527 OSEYHCRVEUQUSC-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501383 XCILGEPMKSJQNV-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593048 GLMBXHRSHPFDMP-HFJWLAOPSA-N 550.511 6.859 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314617041 PPIXAHFLLAGPRE-QFIPXVFZSA-N 540.623 5.964 50 10 KKGE COc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617046 PSBQDRVBIGISNL-UHFFFAOYSA-N 547.438 6.416 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314617660 PCXFVVWVODHZAL-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 2314617796 AXNBNFOOZXGKNK-UHFFFAOYSA-N 536.563 5.853 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314618130 HSAUFVOZURJUOQ-LJAQVGFWSA-N 605.094 6.543 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OCC 2314618132 HSNQLSMDOVXMON-QHCPKHFHSA-N 500.639 6.788 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634871 YBKJHGCYTCUPND-GDLZYMKVSA-N 515.009 6.746 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2c[nH]c3ccccc23)cs1 2331348889 YTJYECAWHLSZKA-GFCCVEGCSA-N 500.805 6.967 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c2ccccc2)cc1 2331396286 HBOYGELXMPXDMS-UHFFFAOYSA-N 506.671 8.458 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCCc1ccccc1 2331489131 BANAZBDEBKNYDL-UHFFFAOYSA-N 518.638 7.666 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 2333317129 PFXQUFDRMQZVJI-RPCBPBDOSA-N 585.002 10.352 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)n1C 2337324410 UGIDTBRPOOFNAO-SNVBAGLBSA-N 519.832 5.639 50 10 KKGE FC(F)(F)c1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361196728 ZXFXTUSNDVVEAQ-HXUWFJFHSA-N 500.152 7.531 50 10 KKGE Cc1cccc(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362224362 LKFGHNJAEXCUDL-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Cl)ccc2I)c1 2366889718 XHDIWIBIYQIHFR-CQSZACIVSA-N 504.420 7.320 50 10 KKGE Cc1cc(F)c(CBr)c(OCc2ccc(I)c(Br)c2)c1 2377643013 YAZQKEYEAZFFRZ-UHFFFAOYSA-N 513.970 5.975 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3101071 REJWSDYZRILSJQ-LUOAPIJWSA-N 556.627 6.158 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 33717219 MZGKOOYKDNBCKH-CKVBZJJFSA-N 512.393 6.197 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650916 YKFGKVZRFCNJMB-HKBQPEDESA-N 518.569 5.777 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38685238 ZLHYQYFPSWPQPE-URAOTHONSA-N 526.633 6.580 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 39858588 FJXVWHUGJKXLMO-QINSGFPZSA-N 510.859 5.705 50 10 KKGE Cc1cc(C)c(OCC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(C)c1 59147331 QMZRXBSLLSVWSY-RIHQVDFKSA-N 503.602 5.647 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 59166151 FAJOJHIXXQFIGR-FMFFXOCNSA-N 522.601 5.819 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 100235851 XGOKBHLAGPTYNO-POBUXNOSSA-N 559.432 5.538 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 100327495 GMFVPWYTNICYLZ-HSMHNTNPSA-N 531.834 5.654 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 100947993 HCIIACNAEJQTSO-UHFFFAOYSA-N 543.410 6.111 50 10 KKGE N#CC1=C(S)N(c2cccc3ccccc23)[C@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)NC1=O 101208231 WYOKELWCFLZMMG-HSZRJFAPSA-N 525.939 7.072 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246766 HTRKXZCJHUVBTK-GQPXRJKTSA-N 568.482 6.466 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1OC 101339286 NJBMTHLBAQWQLG-PXLXIMEGSA-N 502.954 5.452 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101376748 WSLPELBYFZFKGY-QXLBXEOZSA-N 535.427 7.009 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 101376979 BKWKJTRXUUNCLN-NDEPHWFRSA-N 529.549 5.366 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(C(C)C)cc5)ccc43)c2)cc1 101382456 GYDZFBHQLDTOJM-WOPWWUTRSA-N 574.677 7.289 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)CC1 101397500 VBNQAQWQANBLSK-DTISGFQVSA-N 550.699 7.694 50 10 KKGE C/C(=N\NC(=O)c1nn(Cc2ccc(Br)cc2)cc1Br)c1ccc(Br)cc1 101664200 LIMPMNIWVJJXFG-FSJBWODESA-N 555.068 5.373 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccc(Cl)cc1 101712207 PACHJFKYUUOAJX-VTNSRFBWSA-N 579.878 6.886 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1 102006904 SDAGRHMCRXOFQN-LUOAPIJWSA-N 519.841 6.345 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 103724456 FYKDWHMWRJXFMA-GESPGMLMSA-N 592.715 7.473 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1 103755117 UZPGBFRNSAAWJA-WSDLNYQXSA-N 552.412 6.350 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCc2ccccc2)c1 103861021 FWGLJQWDYVQFDC-JAIQZWGSSA-N 540.255 6.953 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccccc4)s3)o2)cc1 109556820 KVWQSXYYVAUNFB-PLRJNAJWSA-N 545.620 7.563 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150463889 DDMNOPOSYFHSRZ-VJRIHLSISA-N 660.752 5.338 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1 161114362 IUAGQIOCDLMNQR-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H](CI)COc1ccc(I)cc1 203993704 NODVDNMAAHURGN-ZDUSSCGKSA-N 532.276 5.743 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 214240804 USQSJEOTYRXMAD-ITYLOYPMSA-N 540.639 6.640 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 214290477 CESNGCQBMCNQMI-IMRQLAEWSA-N 522.605 5.041 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC 214375044 FMFWRCUVSJZCOI-MYYYXRDXSA-N 556.590 5.265 50 10 KKGE Clc1cc([C@@H](Br)Cc2cccc(Br)c2)ccc1I 232386382 PVDZYGGZBHMGBA-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE Cc1cccc(CN(C(=O)c2ccc(F)cc2)[C@H]2CC[C@H](NC(=O)C3CCN(C(=O)C(C)(C)CCl)CC3)CC2)c1 252467412 IJRMVPZICWQQBL-QVYRIUEQSA-N 570.149 5.708 50 10 KKGE Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc3n2)c1 252594101 BPMOIQZNYRYADH-UHFFFAOYSA-N 507.678 7.583 50 10 KKGE C=CCOc1ccc2ccccc2c1C=NNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 252620491 MEYOTLHAJBSCRD-XMMPIXPASA-N 517.423 6.628 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc(OCC)c1OCC 252626849 RGUXBVUTRBVPMS-UHFFFAOYSA-N 501.923 5.468 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253559946 AEYICVMFHIIYOT-PKUSAGTQSA-N 556.756 8.843 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254304995 YJJWVAYQRWBNKF-RUZDIDTESA-N 598.732 7.456 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCOCCOCCOCCOCCO3)cc1 642813883 BZUVDAZAVNWRSC-UHFFFAOYSA-N 756.816 6.708 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1 725237719 MODIBWNUEPLCAJ-GOSISDBHSA-N 512.903 5.881 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1 725444626 IZYJSLVAIQJJGX-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 1083798895 LGYWRDLXHKTNGB-YPYPNGGGSA-N 992.494 9.320 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 1083849885 KTFYETPPXUMBRC-DEOSSOPVSA-N 572.443 5.541 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 1083911715 MXLOTPKJNOQLFW-HSZRJFAPSA-N 531.487 5.769 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1 1083960895 MECKVZJMMAWZBV-NDEPHWFRSA-N 595.921 7.197 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084254106 KCMDIKKXVMTPNM-JOCHJYFZSA-N 591.256 5.663 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 1084293998 QAGNTHOJEGTRBR-AEOZMVQXSA-N 526.922 9.641 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(F)c1 1084295466 KKYNUOIPXQFVQU-PXLXIMEGSA-N 550.428 5.432 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1C 1084301871 HMEWXSSAFPPVAJ-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084362062 ZAZKRGPBWVXDBE-UHFFFAOYSA-N 624.673 7.805 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 1084486694 JTINKGXTUQUHHS-LICLKQGHSA-N 502.785 6.387 50 10 KKGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 1084594193 CTZHLKJZNORDJS-UHFFFAOYSA-N 524.857 5.691 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084601265 FVPIYSWYLBQYHY-UHFFFAOYSA-N 567.223 6.406 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 1084653342 BCJHGQWCJGRQRV-XMMPIXPASA-N 572.443 5.541 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865685867 NVUUDLUHCPTCBV-VWLOTQADSA-N 515.444 7.247 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865688402 RDFPGGIURWWWMH-HSZRJFAPSA-N 561.411 5.822 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689471 AEBFLCDFBQOCGZ-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689626 USBPLFYFSFBKPB-RUZDIDTESA-N 547.442 6.862 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693033 KTCKDIYXDAIJNF-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865693941 NCHOGRSDLNNSTM-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3cccc(Cl)c3)cc2)cc1 1865693999 STIMFONEFMQBGR-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865696048 WRBNIIZXBNSRAQ-SANMLTNESA-N 572.974 7.495 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cc(Br)ccc1O 1865697262 YTHOXFXWUNGEDX-JOCHJYFZSA-N 517.358 5.424 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865704943 IMUYZSXZWNMENR-SANMLTNESA-N 526.980 5.339 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865707311 TUTAPBUFRSTZAA-SFHVURJKSA-N 525.314 5.492 50 10 KKGE CC[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867130897 YMADRZANFCTQFG-NLFFAJNJSA-N 566.521 6.281 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)CC2 1868206973 AZLDNQVWVJNHFP-UUWRZZSWSA-N 555.707 7.545 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCS[C@H](c4ccc(OC)cc4)C3)n2)cc1 1868527943 KRPHCITYNGVIDJ-MHZLTWQESA-N 555.729 7.162 50 10 KKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872745827 FIGQVADFDLURFG-SDXDJHTJSA-N 509.212 6.102 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915300344 ABCWZCCVAZIQJE-IBGZPJMESA-N 504.104 6.633 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924592867 ANHUPLIFYZORJE-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C/[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OS(C)(=O)=O 2065307412 AAPWYQTYJAUTOY-DOPLIMDTSA-N 627.876 6.726 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 2065891216 WHVDEEOMJXXFMW-LURJTMIESA-N 586.767 6.324 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085493570 DGUHNTXZCVYCBM-VXGBXAGGSA-N 570.739 6.742 50 10 KKGE COCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495695 RXYFQLCIDDETQN-NSHDSACASA-N 570.739 6.599 50 10 KKGE BrCc1cc(OCc2cccc(Br)c2Br)ccc1Br 2092330257 GXIWNNKIOBAQOW-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648597 VVUBAMOWTBTMTK-KWQFWETISA-N 545.907 7.687 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2138238350 IEJBOMWBNFVSCZ-JTQLQIEISA-N 509.872 7.073 50 10 KKGE CC[C@H](CC(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468439 JVUYAUAWYXRIKY-XLKFXECMSA-N 540.359 8.089 50 10 KKGE Cl[C@H](Cc1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2141477586 SACFQYPWSUWWQE-LLVKDONJSA-N 532.295 7.259 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1 2179251824 IGGZRTUUSBDBFN-JTQLQIEISA-N 513.398 7.430 50 10 KKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)CC1CCCCC1 2179863021 GFOVWJOICUKTJY-UHFFFAOYSA-N 515.311 6.115 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCC2)c1Br 2206400900 FJDDDTQCGMGVBY-JRKPZEMJSA-N 594.805 7.999 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2213525613 DQMVZPGDTOIUIL-UHFFFAOYSA-N 561.749 7.393 50 10 KKGE Brc1sc(C[C@@H](Br)c2cccnc2)c(Br)c1Br 2216422832 YBNMQISGKIDBET-SSDOTTSWSA-N 504.867 6.109 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(I)c1 2232508800 HEKLCGUNGSEOIE-NSHDSACASA-N 573.252 7.637 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Cl 2232519160 IYEVZZLHYBZJNV-VIFPVBQESA-N 505.863 6.353 50 10 KKGE C[C@]1(n2c(CCCl)nc3cc(Br)c(Br)cc32)CCN(Cc2ccccc2)C1 2234064741 GMBCUQIJKHVKFE-NRFANRHFSA-N 511.689 5.964 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 2235605083 QHDGVNLSNGZPAS-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE CCc1cc([C@@H](Cl)c2cc(Br)ccc2I)sc1Br 2256056322 JQFIKMDHENHYSR-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(OC)c1 2287090978 KKKLWXSHKCVKED-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293198303 RXIZPUGXHCUJJP-DEOSSOPVSA-N 540.447 5.918 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2293338419 QNCWVCRLSDYMKQ-UHFFFAOYSA-N 522.461 6.370 50 10 KKGE CC1CCN(C(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 2296507172 WUVWXBHZCXYDQG-NRFANRHFSA-N 500.451 5.678 50 10 KKGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 2297490843 WZATVMBWFDNRRP-UHFFFAOYSA-N 524.499 5.466 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2299530797 PPNUXTOAKZQIPS-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc(C)c1 2313568720 YBQHTDKDHNCTKV-UHFFFAOYSA-N 507.634 5.567 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314454987 KTBTWXLMDIYKOP-SFHVURJKSA-N 529.070 6.491 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)cc1Cl 2314475745 BJQLYBAMGWBDGO-UHFFFAOYSA-N 500.986 6.188 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 2314476870 XEGVEJGKTCOTIR-UHFFFAOYSA-N 569.687 5.514 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314616567 DTYSIGGCSFUKDQ-UHFFFAOYSA-N 625.128 7.873 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314617031 PIMRQEOEUBZNCR-UHFFFAOYSA-N 507.550 5.372 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccc(Cl)cc1 2314738194 LIDXMSLYTWHRNX-UHFFFAOYSA-N 561.034 5.987 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2314760594 PASNZILOIWFEBN-UHFFFAOYSA-N 618.684 7.153 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(Cl)cc1 2321672358 WGGUJIZQZXCGCB-UHFFFAOYSA-N 502.014 6.442 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(I)ccc1Cl)C(=O)OC(C)(C)C 2327241019 WNDYLZNSIXYDIK-SFHVURJKSA-N 593.671 5.912 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCc1ccccc1C 2331418326 RMTOIDBCMKMZNH-UHFFFAOYSA-N 512.631 7.178 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)cc1OC 2331468398 HLPVEUQRCXLZLX-UHFFFAOYSA-N 525.512 8.058 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c(OC)c1OC 2331492666 FJBHGKWVFACTLL-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cs1 2336077289 GXTKJRITJCIMDS-GOSISDBHSA-N 506.181 7.593 50 10 KKGE Cl[C@H](CCc1ccc(I)c(Br)c1)c1ccccc1Br 2349855417 QUOZYHOPYPHPTL-CQSZACIVSA-N 514.426 6.729 50 10 KKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362233576 BRMBYZKDAUWNGC-JTQLQIEISA-N 509.826 6.311 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256607 YVCVDFQOSALVIW-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 33568799 PRUQUMSQLZLCHK-MHTHAWLDSA-N 508.650 8.230 50 10 KKGE O=C(COc1ccc(NC(=S)Nc2ccc(CCl)cc2)cc1)N(C1CCCCC1)C1CCCCC1 33873728 ZJPMAJXLLZZWRD-UHFFFAOYSA-N 514.135 7.107 50 10 KKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 40816301 XXDDCMCVCNYEGH-TWKHWXDSSA-N 514.409 5.945 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)c1 40822411 SMCUJGMRRNVWLF-MHTZHOPKSA-N 519.557 5.825 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 58891436 BJKFEUUUXGQWOJ-GELAAVBKSA-N 510.974 5.010 50 10 KKGE COc1ccc(N2C(O)=N[C@](c3ccc(C)cc3)(C(F)(F)F)S/C2=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 97984763 VUGHUCMCAGWEQP-SSHMWBCYSA-N 647.683 6.196 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(OCCc2ccccc2)cc1 100164610 UIOBDGRWYHBJOE-UHFFFAOYSA-N 598.291 5.826 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212718 QFGLALXFYXKHCZ-LJQANCHMSA-N 584.536 5.299 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Cl)c(Cl)c3)cc2Br)cc1 100233509 YOQKZYJATZXREV-DXTDMJPYSA-N 624.359 7.096 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 100234379 SLENSUBDIRWNEB-FPIAUCLSSA-N 543.667 7.174 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 100238596 AWRKYNLHKRZHMO-DVMDLWDRSA-N 599.478 5.488 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(Br)c1 100396970 GHPCRFSNRYGHPS-FMFFXOCNSA-N 554.875 7.991 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc(-c3ccccc3)cs1)[C@@H]2Br 100922051 LAVSLGKPWKQGQL-VMDGZTHMSA-N 563.153 6.434 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 101115430 MYCLIHNBKNQIPA-QINSGFPZSA-N 521.758 5.448 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242461 WQYMNKNMTVMENX-YDYXIROLSA-N 507.999 5.074 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245210 MJGPYBHPGVXATF-SFJGOQPCSA-N 511.647 6.076 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379142 DSOUQYMREPFZEX-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5Cl)ccc43)c2)cc1 101382165 KCRJNFIXKXFXGL-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386716 CCTWJQDSQVYZMR-YTTGMZPUSA-N 582.584 5.624 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)c(C)c2cc1Cl 101393766 RHCRJBLEAFXTMM-PMERELPUSA-N 563.009 7.933 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397858 PBYHVLBYGCUQHS-HHHXNRCGSA-N 617.485 8.364 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399370 FIDLZUIUETXRDR-JGCGQSQUSA-N 607.062 7.728 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 102516672 HMUSSEGNGCCNCL-QJOMJCCJSA-N 528.568 5.884 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)sc2c1CCCC2 102848284 DCQFUGKDUUTYIZ-MNDPQUGUSA-N 554.628 5.458 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 102851807 YTDYGZJQQKCIIX-JXAWBTAJSA-N 500.942 5.311 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103740909 KNJUUOWCBLMWSU-NVEWRSJMSA-N 605.311 5.586 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)s1 128194508 SPVMVDMEGUDNSG-JTQLQIEISA-N 524.297 7.173 50 10 KKGE COc1cc([C@H](Br)c2cccc(I)c2)c(OC)cc1Br 134303103 DSBGFXZIVGBUNX-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 150460146 YUTAKBJXJAXPCG-YTTGMZPUSA-N 645.539 8.197 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150460775 LODBRPJITXZCEB-LJAQVGFWSA-N 643.548 8.542 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 150486410 JAJLSKILZYSSBP-OAQYLSRUSA-N 636.738 8.070 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 150497276 YKVDFGPINUGVOM-HNSNBQBZSA-N 629.091 7.703 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)cc2OC)cc1 150577392 DZSORFMZXRRZHD-KEIPNQJHSA-N 636.126 6.311 50 10 KKGE O=C(c1ccc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1)c1ccc2c(c1)C(=O)OC2=O 164229372 ALMJTEZAEIGNPB-UHFFFAOYSA-N 712.926 6.079 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1Cl 164607600 PTHJUJYBLLINMX-FDALDRLYSA-N 689.981 8.452 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776083 KOUOAVIBPSSHAP-AWUWXFTQSA-N 618.715 5.245 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(F)c2)cc1 205781837 IVWHTEITKSCXKS-ZDSNLTSISA-N 714.775 6.183 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cc(Br)sc1Br 234782309 OSDLMQKZKZBGNL-JTQLQIEISA-N 509.872 7.026 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(Cl)c1 234971574 BUMNBULPRSLVSC-CQSZACIVSA-N 516.398 6.200 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 253537504 IDKDEJKAOLGAAX-OPGPRXKQSA-N 604.619 6.173 50 10 KKGE N#C/C(C(=O)NCCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 254391270 RMSPYVUZBJYRHN-JMGCQMQKSA-N 793.758 6.779 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc(Cl)c1O 254509752 LYBGNJZBMHYNJJ-QGZVFWFLSA-N 676.968 5.791 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 254819660 SEPYQLUCUYIMLN-UHFFFAOYSA-N 582.509 6.226 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 254836860 LIKKRMYBOWVGRN-GAYNXCHWSA-N 562.493 5.881 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1 254869192 BVBJWSKALKQAEB-UHFFFAOYSA-N 509.650 7.317 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OC(C)C 256028315 FGCPJPRTYQJBOT-UHFFFAOYSA-N 521.462 5.006 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]21 306146141 BPGJURCSNNEWPC-XBQYKTMKSA-N 665.117 10.165 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)cc1 725381723 WXHYVJDYPQJEEE-DEOSSOPVSA-N 714.338 5.846 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 725385763 ONRBWLZYHFCMAC-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE O=[N+]([O-])c1cc(Br)cc([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 725444171 OCIXEGBWCIVANV-YJBOKZPZSA-N 501.162 5.008 50 10 KKGE COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)[C@@H](Br)C[C@]34C)[C@H]2C1 1078018310 JYZNDQLCHFXCEM-MWLYPFHNSA-N 561.601 7.083 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1083935443 UMSOZLFPKUSKLT-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc2ccccc12 1084020198 KGVBZNQZCZUFGX-SFHVURJKSA-N 505.047 5.514 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084087055 UZWSVKILNKMAGM-HSZRJFAPSA-N 618.211 5.845 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 1084194462 HXVUDAAZKUSKKT-XMMPIXPASA-N 563.851 6.183 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 1084553865 BKJKANLJNCDYEQ-UHFFFAOYSA-N 549.672 6.689 50 10 KKGE COc1ccc(C[P+](c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 1615217203 PSTMWFWHJFWRKF-UHFFFAOYSA-N 512.658 5.387 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749397 KRBMJDIQTVNAOG-UHFFFAOYSA-N 590.507 6.973 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 1772760418 KSDKUHGQIQBDNX-UHFFFAOYSA-N 515.422 5.700 50 10 KKGE CCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665479 KPKQRYXDKNVKBO-SDJQYSTFSA-N 533.281 10.127 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)ccc1O 1865681202 HMWVFYSDQFIEIV-DEOSSOPVSA-N 514.969 5.524 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(Br)c1 1865684223 NRKSVULJMRDLCZ-MRXNPFEDSA-N 527.703 5.723 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689146 LFFRGKUQYITXEY-DEOSSOPVSA-N 527.452 6.206 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690433 RAAYMLFIFSNHHB-LJAQVGFWSA-N 504.634 6.298 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865691736 ZSXWVDJWESPYAA-AREMUKBSSA-N 521.061 6.333 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865694882 DQZHOJIPOFOAMO-HHHXNRCGSA-N 512.997 5.948 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc(Br)c1OC(C)C 1865698235 NYOPRXUJXQFZJN-QGZVFWFLSA-N 550.335 5.063 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 1865701067 KWEDJEFFNNSHDY-SANMLTNESA-N 533.415 6.293 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701157 NQDOZCPNANWDHG-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701338 SOBYRXBAIFANPX-IBGZPJMESA-N 560.246 5.282 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OCc1cccc(C)c1 1865705417 VGDZFZTXEAGZHQ-LJAQVGFWSA-N 540.623 6.654 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705554 YYAGHFJUJBMENG-GDLZYMKVSA-N 572.596 6.183 50 10 KKGE CC(C)C[C@H](C(=O)Nc1nnc(CCl)s1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865906836 UYIMZUKFFPXXCO-ZCFIWIBFSA-N 530.648 5.540 50 10 KKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1)CC3 1868456899 WHMZFFFIVHUWCP-UHFFFAOYSA-N 504.594 7.150 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)C2 1868565066 GZAZUMVEBQWTEW-UHFFFAOYSA-N 564.715 7.095 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(Br)c1O 1872780819 NAAAEHWQEFTUAH-VGOFMYFVSA-N 506.219 6.504 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1872791381 GVDHIJIUGLIPKO-ZVHZXABRSA-N 501.051 8.239 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2Cl)c1Br 1922899060 ZUIRUGJIFQBQER-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)cnn2C)c1Br 1922905661 BIOPFZMXOUYHGA-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE F[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924569835 AUYJNOXQBKSMBL-SHYZEUOFSA-N 513.890 7.000 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 1924585929 RXNNUTGOSHMMND-BYEPEJCYSA-N 519.922 6.764 50 10 KKGE C[C@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924586185 VDIUXKZZNNTDFI-XCBNKYQSSA-N 517.906 7.275 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924591716 TWCHFUYZSWDBGH-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE COc1cccc(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595637 BVRQFIXJSUSZKM-SECBINFHSA-N 537.868 6.668 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC2C[C@@H]3C[C@H]3C2)c1Br 1950082336 UQXNLPLGKOUCRH-BWZBUEFSSA-N 507.911 6.908 50 10 KKGE CCc1sc(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 2030216950 CORKIOAQHPRMOS-CYBMUJFWSA-N 520.455 6.768 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)s1 2032959316 ZQOIZMQKVMPHOI-MRVPVSSYSA-N 539.934 6.728 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1Cl 2048155027 HPXTYJRKXDTNLQ-VKHMYHEASA-N 562.734 6.560 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2054662003 XAIQBZNFPUNWMQ-GURALJBLSA-N 769.972 6.801 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccsc2Br)c1Br 2081055518 VFLYCLWPXZXFEQ-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(I)c2)c1Br 2083336545 BAAKSYAHNAHHLS-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE CN(Cc1ccccc1)CC1CCN(c2c(CBr)ccc(Br)c2Cl)CC1 2098116162 HAZDKYRRZWZMML-UHFFFAOYSA-N 500.706 6.346 50 10 KKGE C[C@@H]1CC[C@@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141469365 UVFNFQNBDXNZIF-MATHAZKKSA-N 540.315 6.974 50 10 KKGE CC1(C)CCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477906 VFKNUZZHJCNWHA-CPFSXVBKSA-N 538.343 7.843 50 10 KKGE Brc1sc(C[C@@H](Br)C[C@@H]2CCCO2)c(Br)c1Br 2216390937 DLVQQVPCSYCOJB-BQBZGAKWSA-N 511.899 5.911 50 10 KKGE Cc1cccc([C@H](Br)Cc2ccc(Br)cc2Cl)c1I 2229149692 HVTDQEGNCFWMND-CYBMUJFWSA-N 514.426 6.694 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 2232082499 VHVAHVJHHMXJMC-JTQLQIEISA-N 554.323 7.135 50 10 KKGE CC(C)[C@@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234068955 AUHYWQMOZNXFMD-HXUWFJFHSA-N 513.705 6.629 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 2235606660 WXUQBTFNAHXRPA-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Cc1cccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1I 2236112249 YKIXEDXVRXLFBD-LLVKDONJSA-N 519.924 6.264 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(Br)s2)c1 2252781912 ZLZBQVAGVFGMEC-JTQLQIEISA-N 503.879 6.714 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)c1C 2256334718 BPNFSQYXMVCNHR-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 2279045787 BYUAOUHQOIWQKY-CQSZACIVSA-N 550.843 6.853 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1Cl 2283560621 JQNYKGLDXZZIIF-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)c(Cl)c2)c(Br)c1Cl 2283560623 JQNYKGLDXZZIIF-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE CCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 2293202160 LWJJFAAVZRKVPT-UHFFFAOYSA-N 576.084 8.691 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2295148751 GPHIFMJTBGOCGK-UHFFFAOYSA-N 684.149 6.634 50 10 KKGE Cc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(Br)c1 2295956264 QXMHTZPEJADTFU-UHFFFAOYSA-N 543.240 6.727 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 2296506773 DVHFPFQATOWSPO-RUZDIDTESA-N 502.039 6.330 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC[C@H]1CCCO1 2296706834 YFBRXZZHXXBQNM-GDLZYMKVSA-N 522.580 5.460 50 10 KKGE CCOc1ccccc1NC(SCc1ccc(OC(F)(F)F)cc1)=C(C#N)C(=O)NCc1ccccc1 2297414592 SBRGJDVTAWRESU-UHFFFAOYSA-N 527.568 6.381 50 10 KKGE Cc1nc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299488793 JSIOUKFWQKXMJP-MRXNPFEDSA-N 532.095 7.040 50 10 KKGE O=C(CCN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 2314487693 HRUBOTDVUQPGPM-UHFFFAOYSA-N 523.105 5.218 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591903 HIUVUUWHHWJYSU-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592150 MPSVQCJGGCXAKS-RUZDIDTESA-N 518.038 6.030 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314610918 OKEXTODUCQQSNH-UHFFFAOYSA-N 550.703 7.137 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1 2314634618 PIYTXLDNTQXSMI-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3c(OCc4ccc(F)cc4)ccc4ccccc34)nc2c1 2331046582 WQURHBKIFNHJJU-UHFFFAOYSA-N 505.505 6.057 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4nc(C)c(C)nc4c3)n2)cc1OCCC 2331293538 WQAQFLIXQQFIDC-UHFFFAOYSA-N 500.624 6.898 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331385346 VUVNOCQOUKPELL-AREMUKBSSA-N 505.599 6.127 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1scc(Br)c1Br 2339654471 SVRCZBDWEKSVFN-SNVBAGLBSA-N 556.314 7.574 50 10 KKGE Cc1cnc(Oc2c(I)cc(Cl)cc2I)cc1CBr 2352396574 BKIHOSPGVRVMKI-UHFFFAOYSA-N 564.386 5.940 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360427940 XXQVNXMOSPHEQS-LLVKDONJSA-N 509.797 7.281 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1c(Br)cccc1Br 2360482338 XBXZABSGCOOKFO-GFCCVEGCSA-N 570.703 7.904 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)c(C)c1Br 2365596076 QQANEYWYVACHPZ-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Cc1cc(C)c([C@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2365597022 CMOKMBBWGXQWLW-MRXNPFEDSA-N 528.453 7.117 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 16739709 HOVCOOOTDHCZQZ-NJEMLTPYSA-N 502.039 5.434 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1OC 38659030 KWRBWCNGUUCDNN-GDLZYMKVSA-N 518.569 5.659 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)cc1 38659572 QIVXWFSBUOZUHW-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38683770 VWXGDDNYCCHPCF-MHZLTWQESA-N 500.551 5.320 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1 38686756 OYFKRTBBVGSASZ-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 40529621 YYEXIJOTMDCIED-QFIPXVFZSA-N 512.305 5.104 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822629 WKNBJKFDAQTTDP-MBVJQJHBSA-N 503.602 6.317 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OCC)cc1 40882549 IDDKYOFQPIJIPE-OQKWZONESA-N 518.635 6.715 50 10 KKGE CC(C)(C)c1ccc(COc2ccccc2/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1 40947844 OFJVJQLHLMTEQR-STBIYBPSSA-N 516.692 6.324 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2ccccc2c1 58892307 LKFFYNWTRALLBD-NNRYEYMRSA-N 522.645 6.510 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 96936253 KBJXVXCKHGWTKB-IUXPMGMMSA-N 507.186 7.547 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCC2=CCCCC2)C(=O)CCl)cc1OC 97914718 MKYFDNALRWKEKM-KNFYQODVSA-N 519.126 6.178 50 10 KKGE CN1/C(=C(\C#N)C(=O)CN(CC(=O)/C(C#N)=C2/Sc3ccccc3N2C)Cc2ccccc2)Sc2ccccc21 97981159 SEKCGRLILJXVKN-KURJDURESA-N 563.708 5.581 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100154410 YWQULEHSHAHYFO-UHFFFAOYSA-N 572.525 5.666 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NCCc1ccccc1)[C@@H]2Br 100869251 UZYRXXMLKXZVTG-BVGQSLNGSA-N 508.092 5.031 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@H](CC)C2 101193860 LDNRIUOOOLPZTH-YSKWHIJTSA-N 543.472 7.552 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101333552 IIHVPHBDSHJSRR-WEMUVCOSSA-N 584.720 7.599 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC 101339352 BFADOOQLSITXAQ-PCLIKHOPSA-N 543.019 5.771 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379146 DSOUQYMREPFZEX-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101381009 WVPYZDHBZUGMOA-DHYKOVJISA-N 578.640 7.119 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381582 BAUGBUPCBROHFS-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OC)cc1Cl 101390256 MRDOOOFOYSGKBX-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc2ccccc12 101392361 UXJZTNPCGNDTGI-VWLOTQADSA-N 543.431 7.799 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)oc2cc(Br)ccc12 101392446 JTSCBWIPNYOBFP-HHHXNRCGSA-N 551.396 7.094 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)sc2c1 101394298 UQSJIDCLQZTWNK-NRFANRHFSA-N 541.843 7.607 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615208 QWMBLKJCOBUOAK-IIHBXENTSA-N 530.400 5.378 50 10 KKGE N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102452907 KCFWCYYLYPWOIO-FMIVXFBMSA-N 502.752 6.448 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1C 102933415 KVFIEKZTLHXYNQ-ODLFYWEKSA-N 569.355 5.641 50 10 KKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C)c(C)c1 103732256 AZLALGHGSKQEFZ-DRVPFVGDSA-N 588.368 6.295 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 103876588 MPZCYDWBDNLDFJ-XKJRVUDJSA-N 571.811 6.319 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 103888671 GPCPOGADKUXHPB-UNOMPAQXSA-N 526.228 6.645 50 10 KKGE CCn1c(SCCCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)nc2ccccc21 104768594 ULAYPUFYFGTUOC-FSJBWODESA-N 540.281 5.309 50 10 KKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 105081991 GJBAAQSPCKEENN-UDWIEESQSA-N 556.254 6.023 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 128548754 VIXRQAFYQMTJIK-CYBMUJFWSA-N 501.034 5.783 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430049 CPANIWMQQRIUAE-SANMLTNESA-N 755.265 9.787 50 10 KKGE O=C(OC[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150670858 WISFGQOOKBVKPD-ZNOUKXQUSA-N 659.485 5.640 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)c(C)cc1Br 161104001 CIJWNUDLVCKUHP-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 163382855 RINLOGBTWOQSHQ-LZBRRTOVSA-N 649.814 8.702 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccc(NC(C)=O)cc3)cc2)c2ccc(C)cc2)cc1Br 164602035 DWAWCGVCWPLXAB-FADJLKOXSA-N 663.594 6.274 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 164606820 OQBICRHHUDBWHM-RQRWGXNHSA-N 712.269 9.627 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 164613718 LNDCFFKWKPSAQG-LALXJTNGSA-N 673.438 9.593 50 10 KKGE COc1ccc(CN2CCN(C[C@@H](O[Si](C)(C)C)c3cc(Cl)c(N)c(Cl)c3)CC2)c(OC)c1OC 195752153 HFWAQHYDTXOLHD-JOCHJYFZSA-N 542.580 5.312 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214435854 GTXCTUKJTXEVBI-YKQZZPSBSA-N 596.684 5.055 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 233784353 NZJGEHGCXAPGPU-LBPRGKRZSA-N 533.905 6.919 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)cc(Br)c2)sc1Br 236071144 OFJGQCVRZXXPFX-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 254764617 GTYQINCSYNGLFL-UHFFFAOYSA-N 505.615 6.547 50 10 KKGE CCc1ccccc1N(CC(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 254855585 PIIJOOKSJOQDFC-AREMUKBSSA-N 612.752 5.159 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)c2C)cc1 254869773 JKNDLZFLEBYNIB-VXKWHMMOSA-N 530.669 5.425 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 256028503 QIFOLHSEVIBNQB-UHFFFAOYSA-N 573.925 6.442 50 10 KKGE ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1 263633021 RCOADBCSRMTGFG-UHFFFAOYSA-N 579.435 12.119 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(I)ccc2F)C1 382734173 WBGKFTJGRVSKJZ-WMLDXEAASA-N 518.164 5.177 50 10 KKGE C=CCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1 575448984 BYYSROQZXICJTR-DTQLOPILSA-N 698.929 6.039 50 10 KKGE CCCCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCCCCCCCCCCCCCCCCC)CCC[Si](OCC)(OCC)OCC 585664121 YPIOKSBJLWOZHA-UHFFFAOYSA-N 825.434 14.673 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1 725403787 BTIBYUNEMWCKSD-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 725420524 KWWZFFIGJSWIPA-PWCMIJAKSA-N 511.622 5.758 50 10 KKGE C=C(C=O)C[C@H]1C[C@@H](O)[C@@]2(C)O[C@H]3C[C@H]4O[C@H]5C[C@@]6(C)O[C@@]7(C)CC[C@H]8O[C@H]9C[C@@]%10(C)O[C@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 1073364074 OCBHOTDOJIYGCA-KCBIOTDLSA-N 883.085 5.306 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 1084005649 RHHNDKCPUDHLBN-HSZRJFAPSA-N 511.416 5.391 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 1084018272 SVBUTLSFFHLYKX-UHFFFAOYSA-N 545.886 6.732 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084358202 JELJKRAGRVJJOY-RUZDIDTESA-N 579.908 6.987 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 1084369097 HROIVUGCHUOJFM-QFIPXVFZSA-N 580.704 6.408 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(I)cc1 1084410620 LIPFAQFISHDGBX-HHHXNRCGSA-N 598.481 5.961 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C)c1 1084424357 LLMPHZHJMLPMQQ-UHFFFAOYSA-N 554.384 6.087 50 10 KKGE O=C(CCl)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084520603 OYPZJYQKYVIDDN-UHFFFAOYSA-N 525.515 5.167 50 10 KKGE C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718465 BKUPEHCWBMXHKC-GYJSJHSDSA-N 541.800 5.124 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NCCc5cccs5)c(C)c43)coc2c1 1772751900 CWTWLZQORXXWAQ-UHFFFAOYSA-N 503.624 5.384 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@H](O)[C@@H]([C@H](C)C(C)(C)O[C@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848432554 FZTPBALCQSLXDA-NCRGHIBUSA-N 769.218 10.984 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865687477 RYOZBSLUFJSJST-QFIPXVFZSA-N 512.532 5.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCCc1ccccc1 1865687868 CAOOQNPQFJEUFF-PMERELPUSA-N 575.068 7.041 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OCC 1865691118 JRLWKLLLGHAMNN-FQEVSTJZSA-N 563.374 6.059 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696463 NJKGDAVDYAPSHB-QFIPXVFZSA-N 517.383 5.283 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865697254 YNMBHXDAMYDLLR-DEOSSOPVSA-N 540.586 6.445 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OC 1865697433 SHTOGZMZBRYXOW-VWLOTQADSA-N 507.034 5.943 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698338 QJLVZGMBOPEVPD-JOCHJYFZSA-N 557.876 5.924 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867045896 NXYRQFCNPNXNEQ-RUZDIDTESA-N 528.659 5.388 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)\c2ccccc2)cc1OC 1872746575 NZAKVTHBBZERDF-DSSTWFBPSA-N 501.007 7.514 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3)cc2)n1 1872757304 ZGHDWHFHLXXXPH-KBRNMGAYSA-N 515.034 7.866 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 1872782510 JNKFODRHWWONTP-WSDLNYQXSA-N 519.464 7.977 50 10 KKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923066461 PWEKWPRONSKHQF-RXMQYKEDSA-N 500.890 6.782 50 10 KKGE FC(F)(F)CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924571828 UVNFURCWQSQIPW-ZETCQYMHSA-N 549.870 7.594 50 10 KKGE Cl[C@@H](c1ccc(Br)o1)c1c(Br)sc(Br)c1Br 1924579433 FGPFIRYYZAMWRP-ZETCQYMHSA-N 514.258 6.719 50 10 KKGE Clc1ccc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924593598 GHLBOYSPKXPIRU-VIFPVBQESA-N 558.742 7.780 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1I 1924596972 WDPAOFFLRQYWQN-MRVPVSSYSA-N 629.775 7.433 50 10 KKGE CN(CCN(Cc1ccccc1)c1ccc(CBr)c(Br)c1)Cc1ccccc1 1931965854 SSYKGDLJANIOCP-UHFFFAOYSA-N 502.294 6.483 50 10 KKGE Cc1csc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1950881905 MIIREGSQGATQFP-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1F 2025779655 KGMHMPFIZRVKGX-DADVEIPYSA-N 514.252 6.765 50 10 KKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CCO1)C2 2046403662 PPCICNGMDWXPMP-RKWZHAFESA-N 523.910 6.431 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2050318579 JDPMAFRUYMKLCP-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3csc(I)c3)cc(Br)c2O1 2090467900 RUVSVLHTGDLILS-UHLUBPPHSA-N 514.020 5.923 50 10 KKGE CCOc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2150492574 BJGJDSSZKQCNRU-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE CCCOc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2172570125 UJEOQJCVXZPYBA-CYBMUJFWSA-N 503.481 7.200 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Cl)c2Cl)c1Br 2201068618 GSGQFLXNGQAQQD-CQSZACIVSA-N 501.871 7.620 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 2202353152 QMUAKJGMQBQZQN-CQSZACIVSA-N 503.843 7.011 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Cl)cccc1Br 2202995950 DNTJYZJURPRPIO-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2202999759 RAMHNGVFAOYFMC-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206397211 GOTWOTCLQWYBFQ-UMAXCYLZSA-N 572.338 5.307 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)c(Cl)c1Cl 2224305334 RNARJGSNQJPTFM-LLVKDONJSA-N 508.262 7.656 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2235614597 JIZFZWSYMDRFNQ-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)cc1C 2236024774 OOUVDFNREIVYFB-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Cc1cc(Br)c(CN(C)c2c(CBr)ccc(Br)c2Cl)s1 2237721168 SJYYGQVNFPEATP-UHFFFAOYSA-N 502.497 6.766 50 10 KKGE Cn1nc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272747963 PQUJLYUVSGMORG-VIFPVBQESA-N 523.795 5.470 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277959136 OTADPDJRYYXDIS-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 2294168470 MUMIUAIOBLNXMM-UHFFFAOYSA-N 588.505 8.518 50 10 KKGE N#CC(=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(I)c1 2295172659 TZSWNAUJYJWLAK-UHFFFAOYSA-N 580.403 5.758 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C[C@@H](C)O1 2296544428 CJNBMBXOVCPPPN-FGZHOGPDSA-N 564.671 5.278 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CC2)c1Br 2312064046 OOEZHQXWFKIABY-CVJICSNFSA-N 566.751 7.219 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 2313518810 UQHCEKZTVHCPNR-UHFFFAOYSA-N 555.328 5.333 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1C#N 2313568687 WALLYZQPRSXDKF-UHFFFAOYSA-N 563.395 5.995 50 10 KKGE Cc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314443349 JAFDIYMYJANANH-OAQYLSRUSA-N 527.627 7.269 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)cc1 2314477960 DIRDPEWVCZARNM-UHFFFAOYSA-N 514.585 6.243 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592555 XJRIFEJKBCVVHV-RUZDIDTESA-N 550.511 7.490 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314617321 VYOYHISGXNUYNC-UHFFFAOYSA-N 555.078 6.906 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314617437 YIYMAYPBZRAYRT-UHFFFAOYSA-N 614.702 6.794 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccccc3OCc3ccc(Br)cc3)nc2c1 2331046530 NYZYPKPOKJTFCL-UHFFFAOYSA-N 516.351 5.528 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336077291 GXTNUWIUZYTTOW-NRFANRHFSA-N 559.523 8.237 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 2365186670 SKHMYZWJYVOKSB-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2366799909 YINFCBWNXCGBPI-NRFANRHFSA-N 529.099 8.404 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 12403510 JLLWJBRQBJLDPI-LBPRGKRZSA-N 518.235 5.047 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cc1 29492825 QVSYLFYTZYXHDG-PLRJNAJWSA-N 508.622 5.861 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2)cc1 35446171 DWPXRRNZQSFYQT-TURZUDJPSA-N 524.624 7.281 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Br)cc2OC)cc1OC 40853643 PDGJUWRSMFIENP-LDADJPATSA-N 517.420 5.980 50 10 KKGE Cc1ccc(-n2c([C@H](C)N(CCC(C)C)C(=O)[C@H](Cl)c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1 100084184 UQQHKWNHOHUJFM-KDYSTLNUSA-N 536.503 7.263 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100190889 RTOCCDAHDGQXRE-UHFFFAOYSA-N 615.388 5.474 50 10 KKGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1Br 100207433 ODJYMYOMFHBCTC-UHFFFAOYSA-N 591.325 5.091 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 100226813 SNNZIJFZXCAAMO-SLLOZXFSSA-N 576.406 5.372 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 100235432 LMUVPIBZPJWFLP-ZYMKGWJUSA-N 575.887 6.053 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243288 DASQNCZNDRPOSV-JHDFWYLBSA-N 513.638 6.253 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 101335605 OZUMQQCGPMHAAN-KOEQRZSOSA-N 542.611 5.486 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101336894 NLOPGWCPGBXVMJ-SSDVNMTOSA-N 537.399 6.357 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101338139 TYKFAIONVJZNQN-OVVQPSECSA-N 529.556 5.282 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Cl 101340675 MHVFUOGICGXHAG-ZVHZXABRSA-N 569.448 6.647 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101340812 HGOMQDDHQVOAQN-MFKUBSTISA-N 549.974 5.893 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380819 XCUQZOAPSUMNCR-WJOKGBTCSA-N 550.586 6.224 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c1 101389619 ROFMOUIXWUXBMV-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390717 HFKDVLGOUSWRTH-QHCPKHFHSA-N 585.896 8.088 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccs1 101392141 IVIQZXJVONPRPX-SFHVURJKSA-N 533.845 7.360 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccco1 101392261 YWYPNKPBPYRJCT-SFHVURJKSA-N 517.777 6.892 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399949 POUZCGCAXURSTN-UUWRZZSWSA-N 618.661 7.912 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611962 CNCQPOWVWYKVEJ-NDZAJKAJSA-N 534.827 6.345 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 103707130 OWMLLMOUUVIMOT-KKMKTNMSSA-N 585.505 5.030 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 105421944 QRNBCJLTLNCQGD-DFKUXCBWSA-N 556.128 6.425 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 150455575 JTBJDXQKNLCYDV-QHCPKHFHSA-N 662.740 8.948 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 150478777 WJWUUEHOBZECTL-PNQUVVCRSA-N 681.859 7.819 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CCOc1ccccc1 163342177 LINRKZONJUZSNX-NOPDUFPGSA-N 627.357 5.671 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 196824645 YUZLCBDCWPRCMA-NGXNQCPCSA-N 620.771 6.056 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C\c5ccccc5)ccc43)c2)cc1 205665768 IBJIAJZAEPUXNR-JSSWAHKUSA-N 514.581 6.411 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1OC 206541135 AOHRGAHBSGATDB-ULJHMMPZSA-N 572.658 6.336 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214210330 HWGKHSYAWXWSKZ-ONUIUJJFSA-N 508.622 5.885 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214280004 JXYYGJUBTNHBPF-UYNMVUAKSA-N 540.623 5.964 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 214365764 JIESKODGPGQTCS-BRPDVVIDSA-N 597.741 5.495 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1OC 214370186 MDJWYLLRFLZBBJ-BDRDOBMZSA-N 600.675 5.715 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)cc2)c(OC)c1Br 224865238 FSTRKOVYVYSRFM-CYBMUJFWSA-N 511.979 5.555 50 10 KKGE Cc1nn(CC(=O)NN=Cc2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)c(C)c1Br 252629273 UCNJGGDIJNNVRJ-UHFFFAOYSA-N 570.289 5.087 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](C)I)CC[C@]4(C)[C@@H]3CC[C@]12C 253530240 QAKZCDKFOJOVRK-IETFNLJSSA-N 568.624 8.763 50 10 KKGE biogenic CCCCCn1nc(C)c(C=NNC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1C 254394784 QOLVWHMXZBJNCN-UHFFFAOYSA-N 561.712 5.197 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2OCC)cc1 254607430 OIJWKLNZNBHETM-UHFFFAOYSA-N 566.654 6.745 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cc(OC)c(OC)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254622450 AUPQIXUKZLADNU-UHFFFAOYSA-N 589.718 5.509 50 10 KKGE Cc1cc(C(=O)NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(C)n1-c1ccc(F)cc1 254735475 GRZZAAQZWBXWTK-UHFFFAOYSA-N 526.615 7.608 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccccc1 256017241 WELUJEHTOPNFJZ-UHFFFAOYSA-N 508.618 6.129 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2I)[C@@H](CCl)C1 382707094 FTBUDUXVFSXQKQ-GWCFXTLKSA-N 500.602 5.243 50 10 KKGE C[C@@H](OCC(=O)OCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)CCCCCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 725442902 FPVAYRBDNHGIFH-HSZRJFAPSA-N 704.689 6.139 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083817651 WUUPISRMPWBNRI-WSMMSHLISA-N 744.913 6.611 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1 1083912868 BUDZSFHFCLTOLW-LPYMAVHISA-N 530.422 5.784 50 10 KKGE CCOc1cc(C=NNC(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1 1083990435 IFKZRXAOVMSZNY-UHFFFAOYSA-N 581.692 6.998 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1c(O)ccc2ccccc12 1084096006 CDHZVINRQNYKKX-UHFFFAOYSA-N 508.641 7.055 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 1084341101 BWFLPUPZHIPMCY-UHFFFAOYSA-N 645.612 7.869 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084419607 NPWTZWDPPYAECX-CXUHLZMHSA-N 628.091 7.485 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2)cc1Br 1084457023 KPTKYEPMRWRCBE-UHFFFAOYSA-N 609.546 5.519 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084483339 NXFHHHLCRUQHPA-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE O=[N+]([O-])c1cccc(N=NN(CC(CBr)(CBr)CBr)c2cccc([N+](=O)[O-])c2)c1 1084516225 VMIUMVNBCLQVJF-UHFFFAOYSA-N 594.058 6.179 50 10 KKGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084620119 ZWTXSBZMESGSRD-UHFFFAOYSA-N 609.104 5.038 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)cc2)cc1 1084635519 HGMLVEGRUCXYAG-UHFFFAOYSA-N 612.771 7.272 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@H]2CO[C@H](c3ccc(CO)cc3)O[C@]21C 1088231727 HLUVLXBNVXJZAL-VLRMEJBNSA-N 558.791 6.980 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5cccc(Cl)c5)c(C)c43)coc2c1 1772751991 PFUISYXTPVIION-UHFFFAOYSA-N 547.011 5.079 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2ccc(Br)cc2)c1 1772760577 VYXPXHQHUFDODY-UHFFFAOYSA-N 512.454 5.880 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865685856 NLSKCEANNMUORW-GOSISDBHSA-N 503.322 5.995 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865686125 QWKZHOIZWCGICP-HNNXBMFYSA-N 520.125 6.723 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865687831 BDNILUIPMIUDGS-OAQYLSRUSA-N 545.348 6.637 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688907 DTSJQMACSYCMJD-MHZLTWQESA-N 557.050 6.276 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865691168 LJCMEWDLLZTCQS-AREMUKBSSA-N 573.491 6.756 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865695034 IDMNSRXWNOFTFJ-RUZDIDTESA-N 512.997 5.877 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697174 OPPSRKCZDOQBLN-HHHXNRCGSA-N 522.605 5.621 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702572 WXSRUXFNXVCWFL-LJQANCHMSA-N 522.205 5.920 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704241 QZYDRFFFUCFSJV-MHZLTWQESA-N 511.025 6.584 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705065 LDUQBINLDWLYKU-SANMLTNESA-N 508.578 5.562 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865708682 CQFIUVYCIOHCRT-DEOSSOPVSA-N 526.980 5.265 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868301719 VQWWDZJBEFJPAF-XMMPIXPASA-N 556.533 7.743 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2)c1 1868506340 VJTQPAZQFLBOEY-VWLOTQADSA-N 530.053 6.700 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872728692 OGLDCEYSVJTHRL-MHWRWJLKSA-N 520.796 7.457 50 10 KKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1O 1872793094 HXUCCYBVHNDQOL-WOJGMQOQSA-N 505.393 7.143 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c(OC)cc1Cl 1872793780 SLBAJZYKFAFJSS-YBFXNURJSA-N 523.441 7.777 50 10 KKGE CN(Cc1cccc(Br)c1Br)C[C@@H](Br)COCc1ccccc1 1916334362 FUJWJPXAHUWUEO-MRXNPFEDSA-N 506.076 5.624 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923073328 WHXWHYARHUSCAP-SECBINFHSA-N 554.323 7.182 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)sc1Br 1924586463 YCMWJBLPZFIKDY-ZCFIWIBFSA-N 588.804 7.652 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1I 1924596021 HYNLZYZAMXKXAR-VIFPVBQESA-N 585.324 7.277 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 1950082340 UQXNLPLGKOUCRH-ULAWRXDQSA-N 507.911 6.908 50 10 KKGE Clc1cc([C@H](Br)c2ccc(Br)cc2I)sc1Br 2026221148 JNCIYTATGOFLJV-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CC1(C)OCCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2066676350 ZYYXGONSALYFGR-SVRRBLITSA-N 527.898 5.666 50 10 KKGE COc1ccc(C(F)(F)F)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2079261382 SIWLJFWHMFPGRT-UHFFFAOYSA-N 529.016 5.418 50 10 KKGE Brc1cccc(C[C@@H](Br)c2ccc(Br)cc2I)c1 2086144946 GVTXHEXDOXYYQI-CYBMUJFWSA-N 544.850 6.495 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 2111087587 VYUZIOCHSZRGHD-LLVKDONJSA-N 507.900 7.634 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138865896 RXMVJOZYCXHINF-LBPRGKRZSA-N 515.869 5.983 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468907 PAPCWVNHBAITQP-JTQLQIEISA-N 645.607 6.717 50 10 KKGE C[C@@H]1OCCO[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471632 UMDVWYJHEBGDMF-ZTWXUTTESA-N 586.738 5.977 50 10 KKGE CCOc1ccc([C@H](Br)Cc2ccccc2I)cc1Br 2143867487 CTFJBDPCERGKAR-CYBMUJFWSA-N 510.007 6.131 50 10 KKGE FC[C@]12C[C@]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206398834 ZKDUSHYYQNYNMK-JHJVBQTASA-N 556.289 6.535 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2207098327 UZZLLNLOECKGMC-LBPRGKRZSA-N 702.642 8.134 50 10 KKGE CCc1cc([C@H](Br)c2ccc(Br)cc2I)c(F)cc1F 2207261609 MHKIVIBTNWDKCS-OAHLLOKOSA-N 515.961 6.379 50 10 KKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1c(Br)sc(Br)c1Br 2211991258 VYHQMGVUXVNWRM-LDWIPMOCSA-N 516.318 6.879 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(I)sn1 2213492286 NOFKUYQNPFAWGT-JTQLQIEISA-N 511.379 5.740 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2ccccc2I)c(Cl)c1Cl 2224317325 MKLLVXYCXAHOIB-NSHDSACASA-N 510.811 7.342 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225321030 GIHGOSSGHSKIQV-DKIAZLNASA-N 535.965 7.688 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cccc(F)c1I 2225616467 OROFDULKUTYFIB-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)cc(Br)c1 2229150020 ISIWJSVROPAIMU-ZDUSSCGKSA-N 532.295 7.306 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245974092 HZJZRWAZFVYGQC-ZDUSSCGKSA-N 504.060 5.566 50 10 KKGE C[C@](CI)(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385350 GAEHPTDPRDSODB-YLJYHZDGSA-N 500.218 5.390 50 10 KKGE COc1ccc([C@H](Br)c2ccc(OC)c(I)c2)cc1Br 2285015375 WOHIYMHLRDEWDQ-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 2294593331 GXUMEDCUYOGUSV-UHFFFAOYSA-N 532.161 5.656 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C#N)=Cc1ccc(OC(=O)C2CCCCC2)c(OC)c1 2295669875 DDOIYIBWQPVDBI-UHFFFAOYSA-N 544.629 6.242 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2296506943 MJVKEZNDDPTAJQ-VWLOTQADSA-N 536.484 6.984 50 10 KKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296507219 YUTRFSWAZHGHHB-HSZRJFAPSA-N 522.457 6.675 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)Nc2ccccc2)c1C 2296790066 LUNVSRCRFPWNOF-UHFFFAOYSA-N 542.686 7.202 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1I 2313511025 JIPIAAAIASIMNQ-UHFFFAOYSA-N 570.168 5.315 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313567859 MMGLVUYVCRVMFI-UHFFFAOYSA-N 532.394 6.519 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313738425 CYDOVRXHWJULGV-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448802 KPUKHDSEXGVONI-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592614 YQOSOIYGBXLICS-MHZLTWQESA-N 527.646 5.776 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 2314610176 DKTNMXDBMGQHGY-UHFFFAOYSA-N 605.720 5.362 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 2314646840 QWXQRYMIEBOFDQ-HHHXNRCGSA-N 683.186 5.907 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)OCC)cc2OC)cc1OC 2314728627 HQKIVHYSTOZFBO-UHFFFAOYSA-N 507.583 5.752 50 10 KKGE CCCCOC(=O)c1ccccc1NC(=O)C(C#N)=CNc1ccc(I)cc1C 2325307025 FOFOJUMOWOSTSQ-UHFFFAOYSA-N 503.340 5.015 50 10 KKGE CCn1c(C(C#N)=Cc2ccc(OCc3c(Cl)ccc(Cl)c3Cl)c(OC)c2)nc2ccccc21 2331071893 XSMXUKIPTJUCTJ-UHFFFAOYSA-N 512.824 7.668 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318658 LMMXCCWEZPHLLL-HSZRJFAPSA-N 519.648 5.809 50 10 KKGE CC(C)(C)c1ccc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358850 VAWCQYOPCLOXCT-UHFFFAOYSA-N 509.631 7.123 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OCC)c3)n2)c1 2331470080 FLOPDNPRGPSRCY-UHFFFAOYSA-N 515.429 6.538 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1 2339649264 UBWFOLOEVMKRKJ-LBPRGKRZSA-N 515.840 6.906 50 10 KKGE Brc1cc(CO[C@H]2C[C@@H](Br)C23CCCC3)ccc1I 2350062278 VJYMLZPEDWYRED-KGLIPLIRSA-N 500.012 5.667 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1ccccc1I 2365188791 OHPMJZXBFRSUES-JTQLQIEISA-N 576.867 6.942 50 10 KKGE BrC[C@@H](OCc1c(Br)cccc1Br)c1cccc(Br)c1 2366144949 LMUZRWOGUDZSTM-OAHLLOKOSA-N 527.876 6.627 50 10 KKGE C[C@](CBr)(OCc1cc(I)ccc1Br)c1ccccc1 2367601549 KTANRNIXTQIOHM-MRXNPFEDSA-N 510.007 5.881 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3c(C)nn(-c4ccccc4)c3C)n2-c2ccccc2)cc1 15979160 LQXNGRBMAIVQEG-YKQZZPSBSA-N 521.650 5.288 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651682 PVHKGOHHROGVJW-XMMPIXPASA-N 505.368 5.674 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38683075 LFZVSQQDOORUMQ-ACSYHNTCSA-N 512.606 6.019 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 38686402 RSAGDYHCTKLDDM-SSEXGKCCSA-N 522.532 5.607 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccccc1F 38687930 OYEZYCNNSVIVER-HXUWFJFHSA-N 511.361 6.785 50 10 KKGE Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40888248 OZXMMZRMTXYPNP-UVHMKAGCSA-N 501.808 5.827 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1OC 97914948 JABWLXXMTNMFII-MHZLTWQESA-N 517.066 5.250 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 100234175 HSEQSOJVAHXSOU-FMLCXWAVSA-N 543.639 6.175 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 101022220 XAGXHEIJFCMLJB-XMHGGMMESA-N 547.614 5.045 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101370593 WRQZBAPOGGQZJD-VWLOTQADSA-N 525.388 6.228 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)c(OCC)c2)cc1 101374625 SGAJAUXRPAGWIN-WJOKGBTCSA-N 554.643 6.656 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 101375553 KQERGKJWKIMASQ-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380701 WPOXOLIHAMTOGK-DHQQHXLHSA-N 587.434 7.548 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101385305 JQHFSQSAUCKSFR-PMERELPUSA-N 563.566 5.928 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387150 MGUYIYFXOROIMA-JGCGQSQUSA-N 582.584 5.624 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388429 LQWKUMQQDFFNAR-PMERELPUSA-N 587.459 7.408 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101389238 GXAMUULSFHDWNM-HKBQPEDESA-N 550.586 6.549 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101390416 PNDNOBCNMKPWAQ-DEOSSOPVSA-N 531.362 5.950 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)cc1Cl 101390641 HGYKJYVYCQEYMI-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101395344 SMNBUPJCNLRLBW-SANMLTNESA-N 609.531 8.223 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101395966 YMTUYYHTWVJFOM-JGCGQSQUSA-N 615.126 8.498 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)c(C)c2cc1C 101398094 FRJCGBUNQZETKC-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101398361 NMYOWMOSHHNRNQ-LOYHVIPDSA-N 566.997 5.883 50 10 KKGE CCN(c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-])c1cccc2ccccc12 101460884 FSVRMJBYHWFEPR-UHFFFAOYSA-N 527.368 5.525 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105054052 LGOJWRPRTJXDRX-KVAAJVFYSA-N 620.334 7.952 50 10 KKGE N#CC1=C(N2C(=O)c3cccc4cccc(c34)C2=O)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccsc1 109750966 GBBABPZQPDCQAO-QHCPKHFHSA-N 502.507 5.563 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(OC)c1OC 109869779 RVXRPSCREZMIKH-NSHDSACASA-N 501.034 5.783 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(C)cc1Br 128873430 PCSCCTDYIRXOBO-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433667 AGTVFASBHKZXCF-UUWRZZSWSA-N 669.561 9.080 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 150441808 FROWZUPWCVKVKY-PGUFJCEWSA-N 639.148 7.818 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442190 KPTXGQFSIFGXPX-JGCGQSQUSA-N 685.958 8.572 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Br)c1 163923642 HCWVAOLEUAKLDQ-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE O=C(Nc1ccc(Br)cc1)Nc1nnc(SSc2nnc(NC(=O)Nc3ccc(Br)cc3)s2)s1 164360523 DYXGNCZOJQJYGN-UHFFFAOYSA-N 660.424 7.002 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214336599 ZUOCNRIROGPOKU-VPZZRGLESA-N 516.576 6.340 50 10 KKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214404182 ICBIOWQFVSZBQT-BWAHOGKJSA-N 502.611 5.498 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cccc(C)c1I 234867057 NHVMEULJJIUWMS-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccc(Br)cc1 253577262 WVQPLTIHCZIKHA-RUMWWMSVSA-N 562.556 7.179 50 10 KKGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)COc2cc(C(C)C)ccc2C)c1 254559355 VVHXDFGDGUNBFJ-UHFFFAOYSA-N 525.443 5.998 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccccc3)ccc3ccccc23)sc2c1CC[C@@H](C)C2 254745773 NVSBDFFQQOGHME-LJQANCHMSA-N 583.666 5.511 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(I)c2)c(F)c1F 398798822 SLWQGLYXNIIVRB-LLVKDONJSA-N 505.897 5.955 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C(C)=O)=C[C@H](Br)[C@@H]4[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 605696683 IFHSHNSZFYAKID-QCOPFYDJSA-N 595.210 6.350 50 10 KKGE O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238169 QLRFCAXFJBHQIC-RUZDIDTESA-N 544.982 7.511 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817497 HKOFRLLVGWKTHV-SYAJIYQZSA-N 560.801 5.253 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 1084192458 QEBFODJFLDQRMB-DEOSSOPVSA-N 545.861 6.044 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084267610 UGCIYJRAENOWLD-KGENOOAVSA-N 709.753 6.384 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1084390662 FHIOTKGKVBSFFL-SANMLTNESA-N 513.554 5.154 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084396449 FZNOIGVXPDESSU-FYJGNVAPSA-N 720.305 5.639 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1084412434 GQOCYHUOTCLAPQ-UHFFFAOYSA-N 614.543 8.711 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1 1084458474 SVHHRJXBNGAHSC-RGVLZGJSSA-N 572.830 6.695 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(F)cc1 1084503264 DOYJSOJEWNKDRR-UHFFFAOYSA-N 522.668 6.452 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Br)cc1 1084520539 PUFASCBMZOUJLS-HSZRJFAPSA-N 560.286 6.063 50 10 KKGE COC(=O)COc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084561716 ZRRWVLWQSHZTBD-UHFFFAOYSA-N 719.317 5.978 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1 1084615490 ULYZUKKDHJZYJJ-UHFFFAOYSA-N 553.990 5.163 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751096 HSASBTWXZGUDEM-UHFFFAOYSA-N 507.377 6.166 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751585 GJBFYSWPGMPZSY-UHFFFAOYSA-N 529.980 6.462 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cccc6ccc(C)nc56)c(C)c43)coc2c1 1772752014 RVEPJPFJQXOFOQ-UHFFFAOYSA-N 535.600 6.426 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cccc2ccccc12 1865682079 FNIFKVMBVKDLGV-VWLOTQADSA-N 519.402 6.673 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685284 HSJVKWLIJRZTLJ-AREMUKBSSA-N 545.470 7.255 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OCC 1865691480 TYDSVIVWZSMQSW-AREMUKBSSA-N 571.475 6.707 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OCC 1865691702 ZEJJNJCIDMJZRG-HHHXNRCGSA-N 500.643 6.319 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OCC 1865691703 ZEJJNJCIDMJZRG-MHZLTWQESA-N 500.643 6.319 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3cccc4ccccc34)cc2)cc1 1865693629 PPDMTYIBODLYHL-XIFFEERXSA-N 560.657 7.798 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865695953 JGAWGBMQPFXOFM-LJAQVGFWSA-N 569.105 7.438 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698054 IYKUYSSDBZEKNB-JOCHJYFZSA-N 557.876 6.255 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1cc(Br)cc(Br)c1O 1865701246 QDDZOWACXHSPLA-IBGZPJMESA-N 565.225 5.383 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702836 GJHBKAIRJXUCHS-GDLZYMKVSA-N 520.633 6.329 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703017 KVVCLCUGOQHHSR-VWLOTQADSA-N 537.834 6.938 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703730 DCUOKEYEMFGSPS-PMERELPUSA-N 512.613 6.775 50 10 KKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 1865711677 FOFSIOIYYIIWMS-UUWRZZSWSA-N 568.677 6.924 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711835 IWADZVHMUGJXKE-LJAQVGFWSA-N 504.634 6.298 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 1866130337 PFAIHBWTYPWAHX-XSFVSMFZSA-N 520.607 5.943 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1OC 1866130489 XPKQKQGCYPDTNS-VZUCSPMQSA-N 545.025 5.537 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(F)c2)sc(C(=O)OCCOc2ccccc2)c1C 1866131361 QJUCUCULHOTXMK-XMHGGMMESA-N 522.554 5.154 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866666151 UZLDLAUDESGQQA-AREMUKBSSA-N 577.131 6.476 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866703575 SFESCNHTDWOIPT-FQLXRVMXSA-N 552.725 6.038 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)c2ccccc2)cc1 1866876503 HTRUXKZBNPMIIL-ZCYQVOJMSA-N 515.664 5.094 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1866987974 GUUCFWBWVUQOMH-JWQCQUIFSA-N 506.027 5.479 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2)cc1 1867044761 FULAZAKTRBOUPS-CUBQBAPOSA-N 569.712 5.809 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H]1c1ccc(F)cc1 1868207877 RGWWSRZWTDTXAM-SANMLTNESA-N 510.642 6.016 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)n2)c1 1868505834 LCECPVWBLWIIDG-VWLOTQADSA-N 547.606 7.829 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCc1ccccc1 1872793072 GYXVIWYNBYRSFI-LFVJCYFKSA-N 524.686 8.158 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)nsc2Br)cc1Br 1912979453 XOAFUKHEYYLWBV-NSHDSACASA-N 518.894 6.532 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924593057 BSYSLAYUDLDAOC-SECBINFHSA-N 514.291 7.671 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3c(c2)CCC3)c1Br 1924596928 VQUXLFCGOOPSPY-NSHDSACASA-N 529.917 7.009 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 2053589945 GWHVWLIQLUTOIX-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE Cn1cnc2sc([C@H](Br)c3c(Br)sc(Br)c3Cl)cc21 2118609419 PRVZHPQQZYFPGO-ZETCQYMHSA-N 505.482 6.359 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(F)(F)C1 2141467947 FGNXBTSJKLXBIO-JTQLQIEISA-N 546.269 7.452 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1I 2141468677 MLIWXVIHYQFQMP-MRVPVSSYSA-N 692.607 6.559 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2141471075 NQQYMXQJKVWIIO-GFCCVEGCSA-N 554.323 7.135 50 10 KKGE Cl[C@@H](c1cccc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2141476895 IKMXPQQNOJLUCO-ZDUSSCGKSA-N 597.164 7.827 50 10 KKGE Brc1cccc2c([C@@H](Br)Cc3ccccc3I)csc12 2143868859 SPLSYPLKZYICFR-AWEZNQCLSA-N 522.043 6.947 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2202993848 YVTOMYVISKLYMG-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE FC1(F)CC2(C[C@H]2[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399189 DGYBHAHHHSDNMR-SSDLBLMSSA-N 602.731 7.608 50 10 KKGE Brc1sc(C[C@H](Br)CN2CCCC2)c(Br)c1Br 2216422628 WISHIZUUNKSGGL-ZETCQYMHSA-N 510.915 5.437 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c(C)c1Cl 2232528164 GPNJKQULFZUCRU-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Clc1cccc([C@H](CI)OCCOCCOCCOCc2ccccc2)c1 2236085202 NYIVKYRBQSGAHH-NRFANRHFSA-N 504.792 5.083 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)cc1I 2257367143 JUIKHLUOSZHJTD-NRFANRHFSA-N 509.181 6.363 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@H]1CC2 2273356941 CUTWTHAHPCAKIS-UQYDATMWSA-N 536.327 7.597 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)cc(Br)c2)c1 2277959875 WRJXQPCRRBXSTC-CQSZACIVSA-N 576.746 7.415 50 10 KKGE COc1ccc([C@@H](Br)c2cc(C)c(Br)c(C)c2)cc1I 2285016945 YQYQTOUXGBHUMT-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3OC)nnc2-c2ccc(C)cc2)cc1 2293740356 OVJDJHGNQGETGS-UHFFFAOYSA-N 513.623 5.167 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)sc1Br 2295262805 MGSYNKSATGZPTD-NSHDSACASA-N 568.350 7.490 50 10 KKGE O=S(=O)(N=C1C=CC(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@@H]1Br)c1ccc(Cl)cc1 2296463515 FUHMTPPNCBMUAR-QZTJIDSGSA-N 615.152 5.050 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1I 2297477223 VIRRQADIRQZVHP-UHFFFAOYSA-N 519.682 5.658 50 10 KKGE O=C(NC(=C(Cl)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297497909 GLFAJASMBHFRQX-UHFFFAOYSA-O 565.098 7.709 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 2297710082 MPUTUVPZRUTPKH-HHHXNRCGSA-N 505.530 5.270 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1I 2303539327 OFKJXWXRVVTTHB-HNNXBMFYSA-N 522.608 5.045 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1 2313567867 MPVMDVAXALVIAO-UHFFFAOYSA-N 541.445 7.434 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571436 WJJIMGFXNLIYJC-UHFFFAOYSA-N 546.204 6.579 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2314443447 GUAATFIVQGRSQL-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592151 MPSVQCJGGCXAKS-VWLOTQADSA-N 518.038 6.030 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592637 ZCPPMFSJFSUVJZ-RUZDIDTESA-N 562.489 6.221 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592846 CUNLJYQDNVHCJV-GDLZYMKVSA-N 523.702 6.389 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593435 MXLHXIRGDYJAJN-BVZFJXPGSA-N 551.590 6.018 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314617883 CJRYJXFMUQWLCK-HSZRJFAPSA-N 591.693 5.143 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(I)c1 2317773189 KEHCJMGYJUKTCY-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(Br)c1OC(C)C 2331478496 ORWNGESZXKCNLZ-UHFFFAOYSA-N 525.512 8.039 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2sccc2I)c1Br 2339681398 HLUSSBNKBUZFEG-LLVKDONJSA-N 536.454 6.523 50 10 KKGE Fc1ccc2cc([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)sc2c1 2361168480 LRBKNYPUYVZTLY-QFIPXVFZSA-N 506.234 7.866 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2377293637 ZGKUZQIHCXQFML-MGPQQGTHSA-N 514.083 6.822 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 12580501 IZSIQUKOIQNMOY-UHFFFAOYSA-N 518.235 5.265 50 10 KKGE CCN(CC)c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(OCc2ccc(Cl)cc2)c1 29492411 NVZRSOXRWIAAIS-KQWNVCNZSA-N 523.040 6.469 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38656987 ZROWURGFGUDYQU-MHZLTWQESA-N 500.551 5.320 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 40894483 MPPRXKURXQGMCL-RCCKNPSSSA-N 500.551 5.157 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 59460500 GYTFUXJUMQYAPM-PLRJNAJWSA-N 511.516 5.178 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 59680394 OFJSSAAAWLBZQB-UZWMFBFFSA-N 517.589 6.532 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 96401663 FBABKUZGDOFQCZ-WJDWOHSUSA-N 513.978 7.584 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccccc3OCCOc3ccccc3)cc2)cc1 100161656 GRCGLHXQYMIJFM-UHFFFAOYSA-N 610.736 5.644 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100226321 FBJPBLNUZIMCCJ-KEBDBYFISA-N 621.302 7.738 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065533 LCLPRPHBMLBPCR-OGLMXYFKSA-N 535.225 6.380 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 101115841 ANVLXLDQZOGROM-PTNGSMBKSA-N 525.779 6.301 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101314685 HJQVDLLFZJYZRH-AREMUKBSSA-N 557.400 6.506 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101334993 GKZNJXVJELAGTB-FMFFXOCNSA-N 611.101 7.564 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101363931 INESDCHHRNSDHR-NRFANRHFSA-N 526.730 5.448 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101370548 HFVVRVAJAIKZGR-HHHXNRCGSA-N 565.420 5.449 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101373703 CUYZZWHDBDDYGQ-MHZLTWQESA-N 583.468 7.017 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 101374346 NLQKVQFCZWMORH-WJOKGBTCSA-N 556.659 6.230 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1 101388516 VOBLBUQINOJFDA-MUUNZHRXSA-N 542.975 6.348 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390011 VSVGXEFWARVZFX-XMMPIXPASA-N 535.452 7.769 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 101395364 QPNDHADBYYVREH-WDYNHAJCSA-N 542.588 5.228 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101397191 CEYIGQFLIZOTPX-NDEPHWFRSA-N 581.496 7.789 50 10 KKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])c1ccccc1Br 101467397 PPCFARKQQBHWQP-UHFFFAOYSA-N 533.386 5.111 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614896 LIZGQKKZWVHTJR-QFDQHJFZSA-N 536.429 5.440 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1 101729790 ZNTOQLWHPDRVLI-MQLQUWDCSA-N 534.568 5.709 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)ccc1OC(C)C 102779305 PWAMJPLBUBYVJS-NDEPHWFRSA-N 545.076 5.359 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4C)cc3[C@@H]3C=CC[C@H]32)cc1 103589367 JCGLPCDWHRQOIB-NFHABHTFSA-N 539.701 6.382 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 103742643 AVKGUZIRZNYDDY-KVHSSYOWSA-N 512.393 6.197 50 10 KKGE CN(C)c1ccc(/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1 103865793 ALYIUAJVTVWBHX-ZZEVNCIZSA-N 612.518 5.480 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)cc1Br 128773869 AORWMWITGXAYFM-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CS/C(NC(=O)c1ccccc1)=C(/C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 150384315 MNOMODRZGFJBJV-HCVCXRBISA-N 628.581 8.196 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150459602 LZRXKLNHFQTSSM-LJQANCHMSA-N 630.695 7.173 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150463031 SSOCUSWKEJCVBL-WJOKGBTCSA-N 655.476 7.668 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1OC 150497314 IFRLZJFBKRIONT-PPOKSSTKSA-N 668.725 7.110 50 10 KKGE COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 198741232 ZPLQCCZKYAXIPK-UXHLAJHPSA-N 564.019 5.133 50 10 KKGE CCCOc1ccc([C@@H](Br)c2cccc(I)c2)cc1Br 229007515 RGTIZLVDWKWFBH-INIZCTEOSA-N 510.007 6.327 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 235813998 KEBOSVRJFDZNFP-LLVKDONJSA-N 538.324 7.435 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nccc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 247542323 SOGOMPJANKBXFD-FHDZUBCWSA-N 609.049 7.714 50 10 KKGE O=C(CCCCCCCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254400028 YUJFFHOFPJXTQB-UHFFFAOYSA-N 604.751 7.176 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccc([N+](=O)[O-])c1 254424246 VEAMUKRGNSEKLF-UHFFFAOYSA-N 547.662 5.175 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1 254752973 CTGOHMMJABZBBB-UHFFFAOYSA-N 544.681 5.040 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 254816237 DUHDXUQVCCUDTD-AFMSDNIOSA-N 635.677 5.590 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 254822408 OYHFZZNVQDWKBF-UHFFFAOYSA-N 535.673 6.333 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc2ccccc2c1 254824520 XXMBQSVPFNTZAN-UHFFFAOYSA-N 552.725 6.420 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2OC)cc1 254825529 KVDOJYQCONIPQB-UHFFFAOYSA-N 532.637 6.054 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585688 FAGFLKDXAVYVFV-KDDYYSGWSA-N 672.973 7.366 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cc(Br)sc3Br)c1)OCCC2 688380219 UGPWFNBSQCNJKD-GFCCVEGCSA-N 545.916 6.845 50 10 KKGE Clc1cc(Br)c(OCc2ccc(Br)cc2Cl)c(CBr)c1 708111892 YHMPARQFTVOTQN-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)cc1 1083910186 VMUHBYCJKKNRKT-UHFFFAOYSA-N 520.424 6.346 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1083987587 FIPBZAAUKFDJHJ-GOSISDBHSA-N 569.062 5.672 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1083997327 VLNYFBFRWFBCKL-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 1084095362 BJGZCKSWSMPYPY-HYARGMPZSA-N 505.387 6.750 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084403619 VIIYDJUOVWXENG-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F 1084498115 YEDCVBQOXTXADS-UHFFFAOYSA-N 626.526 8.096 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C)cc1 1084608472 ITGNUAHQIYHPEF-LFVJCYFKSA-N 593.465 5.443 50 10 KKGE COc1ccc(-c2cc(=NNC(=O)CCNS(=O)(=O)c3ccc(C)cc3)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 1565518366 YDMCXHIGVKUPLJ-UHFFFAOYSA-N 615.752 5.745 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747565 DBKLUGJNZVDHCF-UHFFFAOYSA-N 535.600 5.616 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 1775963164 CBYATNWDDXHUQS-QUUJCRDJSA-N 781.541 9.191 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685581 KHQWLPFHSUOOLI-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686180 RPCHGCNQSWCGTB-NRFANRHFSA-N 568.258 6.835 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865688326 PHZUKNWTFSSEBA-RUZDIDTESA-N 541.479 6.596 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688521 UHNVRJPKAPMOBQ-MHZLTWQESA-N 507.594 5.068 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865691323 PLOBQBJZXXGMBX-QHCPKHFHSA-N 558.436 5.712 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701219 PDRJUKIEXXWPTC-SANMLTNESA-N 565.888 7.251 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865701662 BAOQXMPKXTVTEO-HNNXBMFYSA-N 548.121 6.318 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865702557 BLIHTRHYCSTBKY-XMMPIXPASA-N 527.452 6.358 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706497 XYKXNCVXDRQGFT-MHZLTWQESA-N 506.606 5.857 50 10 KKGE CC[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866601268 ODNUJQFUDWGYJD-HSZRJFAPSA-N 524.712 5.195 50 10 KKGE CC[C@@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931233 BURPUVOAWCDYBF-RUZDIDTESA-N 510.619 5.647 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867194783 ZDUFKFMZAGHRFU-HHHXNRCGSA-N 576.657 5.966 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868413883 FAMLIWJSURQNLV-UHFFFAOYSA-N 548.499 7.815 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)c1 1868505956 OLHYMCDDHVKAHS-SANMLTNESA-N 536.661 5.754 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1C 1872746286 AXAMOHJFIOYRST-RWEWTDSWSA-N 507.571 5.873 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C(C)C 1872793159 LCGUOOPKRLGEEQ-OEAKJJBVSA-N 515.078 8.547 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 1872818181 QEPZKZCIOJGXCA-ATJXCDBQSA-N 500.486 5.229 50 10 KKGE O=C(c1cc(Br)ccc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915314192 QKOGJCGFSKOFLR-GOSISDBHSA-N 563.071 5.870 50 10 KKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2I)nc1 1918159440 IHPPDEXHDXUYSK-LBPRGKRZSA-N 501.387 5.781 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922931273 AQYKDEVCMNVODT-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cccc(I)c1 1923055836 ZKQQSKNXIXYVRJ-QMMMGPOBSA-N 526.846 6.859 50 10 KKGE Cc1ccc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595148 VFQODJXNYBZFNJ-JTQLQIEISA-N 538.324 7.435 50 10 KKGE FC1(F)C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779213 DTLUWPSRIDGISZ-KTCWOMIQSA-N 518.215 6.672 50 10 KKGE FC(F)(F)c1cc(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]2[CH-]CCC2)cc(C(F)(F)F)c1 2037564079 NSFCYHHYTUHBIQ-HNNXBMFYSA-N 525.293 7.951 50 10 KKGE C[C@H](C1=CC=C/C1=C1/[CH-]C=CC=C1P(c1ccccc1)c1ccccc1)P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2037716162 TWCDYXQBXKHGKK-KZFKTAOASA-N 809.591 12.167 50 10 KKGE C(=N[C@H]1CCCC[C@@H]1N=Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2058772056 GCUKRENTSKVSIL-COCZKOEFSA-N 658.766 8.052 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 2111087390 TUYORYJPMWNJEU-SECBINFHSA-N 528.318 7.979 50 10 KKGE Cn1ncc2cc([C@H](Br)c3c(Br)sc(Br)c3Br)sc21 2118612090 UNELKGKBLQUXIA-ZETCQYMHSA-N 549.933 6.468 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cnn(C)c2Br)c1Br 2136384762 TXHIQSJMCMYUSF-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2C3(CC3)C23CC3)c1Br 2141470572 IGUDJRIYKHCPES-NSHDSACASA-N 578.762 7.363 50 10 KKGE CC(C)(C)C(C)(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478704 ZGHPTMMIPZMCCG-LBPRGKRZSA-N 540.359 8.089 50 10 KKGE Brc1cccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2148749661 DKEBGEMOJGVLAX-CYBMUJFWSA-N 525.860 6.393 50 10 KKGE Clc1cc(Cl)c(OCc2cccc(Br)c2Br)c(CBr)c1 2148749780 JQGUBDGAZBRXIS-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cscc1OCc1ccccc1)OCCCO2 2156307038 SLGDCDTYZUSUBO-OAQYLSRUSA-N 510.247 6.735 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 2163317160 HUTYNBJYXIZSIG-JOCHJYFZSA-N 512.717 6.490 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)c(F)c2)c1Br 2201068066 CUCPDEXEVGGBOT-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1ccc(Br)cc1I 2207261900 OINKZCWGPKVTRP-AAEUAGOBSA-N 515.027 5.078 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2csnc2Br)c(Cl)c1Cl 2217617891 KOIKSWRDIBEKIZ-ZETCQYMHSA-N 515.279 7.113 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Cl 2233969268 IQJNJWWGHKKPGS-CQSZACIVSA-N 505.834 7.403 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(F)c(Br)cc2Cl)cc1Br 2282899952 UJZPRZAIVIUVEI-AWEZNQCLSA-N 505.834 7.403 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283581029 GMTWLLAZMDQJMO-CQSZACIVSA-N 530.425 6.508 50 10 KKGE CCCCCCCCC=CCCCCCCCC(=O)O[C@@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818763 WPLUQQWECOZHTD-PSXMRANNSA-N 564.895 11.276 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cccc(I)c1 2295360770 UOLSLDPQPLZMTJ-CQSZACIVSA-N 530.425 6.508 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 2295672215 BULLKBIVVSJJNX-UHFFFAOYSA-N 532.618 6.212 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2296038203 ONQDQCVABYAXLX-AREMUKBSSA-N 516.066 6.748 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CC[C@@H]1C2 2297848112 BRHRHETZMMOJRZ-ZSCXHOBISA-N 508.273 6.817 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 2313555954 GJACSOLOUIZVPH-UHFFFAOYSA-N 591.437 5.361 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568623 XFGNJQHBAUHRPH-UHFFFAOYSA-N 599.472 6.279 50 10 KKGE Clc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314452150 KGWRLSFIXPIPNM-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593276 KTJXZYYYAVCYHX-XDHUDOTRSA-N 552.483 6.306 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314618453 NWJWHOQRUXQTTR-UHFFFAOYSA-N 576.628 5.886 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 2314618942 XCKBVYJSPFMLSS-UHFFFAOYSA-N 570.665 6.265 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2314795663 FORVLOGWTIVXHB-UHFFFAOYSA-N 594.662 5.712 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1I 2316774997 NYSSOUDBKIYWDG-NSHDSACASA-N 522.427 6.262 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(I)c1 2317773603 MCESMZOKKACCBW-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE Clc1ccccc1C(CBr)(CBr)Cc1sccc1I 2338749936 NQRQSDNJTJJJQS-UHFFFAOYSA-N 534.482 6.276 50 10 KKGE CC(C)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2343662117 NEAFJOCIVVDFNR-LLVKDONJSA-N 531.933 7.643 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362225862 RXTHPNDNRIOBNL-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)(CO1)C2 2363839840 YFXLHOVALYDFNG-FHWLQOOXSA-N 506.156 6.576 50 10 KKGE C[C@](CBr)(OCc1cccc(I)c1)c1ccccc1Br 2367347278 ZZFWFMDHTCIWEH-MRXNPFEDSA-N 510.007 5.881 50 10 KKGE O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445810 TWJIPCHJNJKAHS-HWLDZIHSSA-N 549.863 7.638 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 12490319 QYNXFPVTXMMOIY-CYBMUJFWSA-N 518.235 5.181 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14643172 QECOCGJBJGVPTG-CQSZACIVSA-N 518.235 5.147 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC=C)c(OC)c2)cc1 38681077 OOIJGJXTIBOEFX-NDEPHWFRSA-N 510.546 5.262 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684673 QZTJOLINGLJRRD-GDLZYMKVSA-N 512.606 6.338 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 38688598 ACTITBCGFDRLDU-QHCPKHFHSA-N 518.978 6.009 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(C)c1 40924610 QGCPRZOUOFHQDC-MUFRIFMGSA-N 517.676 6.339 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2OCC)cc1 48573715 CZQUBYKXLJRDPU-AJBULDERSA-N 502.611 6.155 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\C(Br)=C\c1ccccc1 50861392 RSDFFISHAGFEMN-UDBQDAEISA-N 539.886 6.368 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061490 XGQFEPMBEJIYFO-UHFFFAOYSA-N 597.691 5.272 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc1ccccc1[C@H](C)CC 100094289 JOGYJPNKQKUSPD-PLQXJYEYSA-N 596.769 5.197 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 100189062 KDSVNMBPHVCGCV-UHFFFAOYSA-N 609.340 5.258 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 100231843 YPOBPDQCZMRMPB-BXYKZGNCSA-N 536.426 5.262 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1 100453127 PTTKFUSNHMORGA-HGNFKBFPSA-N 564.423 5.987 50 10 KKGE N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034009 RCXNZVJJMZOOOE-WJDWOHSUSA-N 545.374 6.442 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101335956 QUDCPMMVHIRIKW-OVVQPSECSA-N 538.648 5.654 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 101336441 QYOMXMJBXMDLTP-UXHLAJHPSA-N 557.654 6.214 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101337729 ZULXRSBZAOUCNZ-KUMIJIMYSA-N 590.683 7.472 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341025 HEYKLZDQIGBMLA-PCLIKHOPSA-N 556.594 5.013 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 101369032 ZMQDPHRZCKGIKT-SANMLTNESA-N 535.394 5.277 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101372239 NDMJWHWWOPKRFU-WENCNXQZSA-N 560.622 6.384 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc6ccccc56)ccc43)cc2)cc1 101378769 VHOCMXDGGVXPLU-XIFFEERXSA-N 538.603 7.165 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379480 HZIUXMNAWTYTMT-HKBQPEDESA-N 565.069 7.654 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384316 WWEBOUKYDQUSQO-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101388588 XGQCJUBFMQUKOA-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 101398587 RZBRDQQRQIVSSI-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595444 CFILSKVPMRDKNR-INKHBPHZSA-N 568.427 6.579 50 10 KKGE O=C(COc1ccc(Br)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101647171 ZCPYOSVRMBASRJ-SLMZUGIISA-N 577.660 5.311 50 10 KKGE N#C/C(=C/Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 102416763 OXWBIDZHYZBFOB-FAXUNHAKSA-N 503.889 6.399 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3\C[C@H](c4ccccc4)Oc4ccccc43)cc2)cc1 102980887 IRTFTTNSYPAMPP-LNUVKTGBSA-N 541.629 5.544 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1F 103795950 FSONSHUCDKKKJO-CCVNUDIWSA-N 558.347 5.918 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cccc(I)c1 125720231 BYAAXHYSRXHGIN-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Brc1cc([C@H](Br)c2cccc(I)c2)sc1Br 128207178 VKYPCXJROPLSIL-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485169 PZPYPRQAMGDDEQ-HKBQPEDESA-N 663.510 7.044 50 10 KKGE CC(C)(c1cc(Br)c(OC[C@H](O)CCl)c(Br)c1)c1cc(Br)c(OC[C@@H](O)CCl)c(Br)c1 196348323 RPEKWRMKDVUCNG-OKILXGFUSA-N 728.925 7.020 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205669731 BBUSKGFODONFHK-XIERIECJSA-N 572.661 7.118 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1 214393184 FQTAAHHHZLHXKH-JMBNEYFYSA-N 556.622 5.664 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)cc1OC 234930913 DYZFDPNEPDUMKT-LBPRGKRZSA-N 549.904 6.537 50 10 KKGE COc1cc(C=NNC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc(Br)c1OCc1ccccc1 252632594 VUSKBLFTWQNJGH-UHFFFAOYSA-N 696.396 7.054 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1 254907396 HPSQFPSLBDMSAY-PULJFRLMSA-N 504.637 5.135 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616587281 PZVRPLOQLULUSB-DJJBDCSHSA-N 934.160 10.296 50 10 KKGE O=C(O)COc1ccc2ccccc2c1/C=N\NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1 675031836 PMPKLZKKNKTFLF-PPDIBHTLSA-N 578.455 5.236 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725386048 HOVFLCXSRBVHKW-UHFFFAOYSA-N 606.915 6.651 50 10 KKGE CCCCCCCCC/C=C\CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C 888086383 IZGQJFCCCONVOU-FHTMIAEMSA-N 595.982 9.893 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1F 1084025819 QIENACARQIPONP-UHFFFAOYSA-N 544.320 5.528 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1C 1084181698 OLRQKISGGBPFHK-UHFFFAOYSA-N 514.651 5.133 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084460802 XLBPLBIPNCCTNX-QFIPXVFZSA-N 555.425 5.119 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 1084517170 BFRPFZFPWOBORB-MUUNZHRXSA-N 561.476 6.544 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)c2C)cc1C 1084638296 CGWHNCOCILMUSF-UHFFFAOYSA-N 563.123 6.094 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)cc1Cl 1084655945 OWZNCXJLUIZELT-UHFFFAOYSA-N 522.226 6.498 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720116 FVSLVBXDBRJHPG-UHFFFAOYSA-N 900.979 7.305 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772748975 VEYUMKWJHUUYTC-UHFFFAOYSA-N 538.944 5.049 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749244 YRKAGRGCPSVUFU-UHFFFAOYSA-N 569.323 6.545 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(Cl)c(C)c5)c(C)c43)coc2c1 1772752101 XPPCHJWXSQOFBO-UHFFFAOYSA-N 518.997 6.531 50 10 KKGE Cc1cc(C)c(COc2ccc(C=NNC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1C 1772755005 GGRHUTMLIOYPDG-UHFFFAOYSA-N 536.122 7.210 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685403 IGFMHNMWWBJPEX-QFIPXVFZSA-N 503.389 6.132 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865690466 RYJJFCDHWNZCCU-HSZRJFAPSA-N 513.395 5.919 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865691228 NGLWWQMWFHQPGD-GDLZYMKVSA-N 534.660 6.784 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865693529 WSZCIAVHPKJHCJ-RUZDIDTESA-N 559.464 6.366 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696453 NIDFULZLKPSQEO-QHCPKHFHSA-N 545.393 5.243 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701510 XEFNTTJVDSYBMG-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865702949 JGVHXWBDXNKOCR-XMMPIXPASA-N 534.513 6.195 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865704869 GOWDINSGLFEIGX-QHCPKHFHSA-N 547.398 5.840 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705242 PGIFMNZQNRKZGG-MUUNZHRXSA-N 538.623 6.137 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712272 URLBFNIWEUOEQI-AREMUKBSSA-N 559.022 5.504 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866690232 QVABLTHRSMZXFT-VSGBNLITSA-N 524.621 5.486 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866765407 WVCBFPASZTYQSJ-FQLXRVMXSA-N 541.623 6.426 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)\c2ccccc2)cc1 1872751181 VHYVHWDHJAAJBU-XICCPGFZSA-N 508.599 7.013 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C(C)C 1872753598 FOYPVOBEAXHUGG-QOCHGBHMSA-N 510.015 6.122 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(OC)c1OC 1872759134 FPQKVSDBATVODB-QOCHGBHMSA-N 519.579 5.038 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595270 XCTQHRXPYNDECI-VIFPVBQESA-N 558.742 7.780 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(I)ccc2F)c1Br 2050466981 HDJHXYCELJBWPQ-JTQLQIEISA-N 524.418 6.653 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)C(=O)O 2070251913 JWRWEXWCMXUMDC-LYBIHGIASA-N 562.908 7.425 50 10 KKGE CC1CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085497481 GMHPBQKFTLOERV-KAVNDROISA-N 568.767 7.609 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2141471188 OVESFDKRZIESBY-YCTVFWEXSA-N 534.311 6.919 50 10 KKGE COCCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179835070 PGHVPALLDCLGAT-UHFFFAOYSA-N 523.262 5.101 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC[C@@H]2C[C@H]2CC1 2206394102 DTVSMQMCVWHYIE-XWRVAKJBSA-N 550.354 7.843 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394681 IMPJXWFGWPPTFF-LRMHIPNDSA-N 564.259 7.605 50 10 KKGE CC1(C)CO[C@H](C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398568 WJYYCFHYRRBMFC-HTQZYQBOSA-N 598.793 7.378 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1sccc1Br 2213492553 QFGGWNVUPJLHFM-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2218093189 VKIMXZRHFOMABS-UEGXPFIPSA-N 523.910 6.287 50 10 KKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@H]1CC1(Br)Br 2233038937 IUNJRVFTBXWXSM-NKWVEPMBSA-N 536.408 5.586 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(F)cc(Br)cc1F 2233974105 CXYUEXDQNXHSRR-ZDUSSCGKSA-N 537.793 6.876 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2256334547 AJFZKZDLJNZQEN-ZDUSSCGKSA-N 520.455 6.815 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 2293198367 AACIZYHJMFCCMW-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OS(=O)(=O)c1ccccc1 2294511024 VCLATLUMMKOSSE-UHFFFAOYSA-N 536.915 5.681 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1C 2296730156 ALRUBJLFWUFSBA-UHFFFAOYSA-N 504.011 6.238 50 10 KKGE COc1ccc(NC(=O)COc2ccc(C=C(C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 2297373142 NTHPFTJAMVFVJD-UHFFFAOYSA-N 508.328 5.448 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)NN=Cc1ccc(Cl)cc1Cl 2297640065 OCAZZWFMIYEVSD-SANMLTNESA-N 666.393 7.501 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1 2313555855 AVEXZIAOQXGPQT-UHFFFAOYSA-N 577.422 5.626 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631795 VWHWHVOLJDMLGB-UHFFFAOYSA-N 515.227 7.849 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 2314476633 SEFAGBXJOKLFCZ-UHFFFAOYSA-N 593.087 6.325 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592088 LSAWYSYOALMIRK-VWLOTQADSA-N 502.039 6.528 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592750 AZCPOSVKAVQUFN-YUDQIZAISA-N 537.729 6.895 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314620389 PAKIJLGWKBMIAQ-UHFFFAOYSA-N 533.519 5.379 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634842 TYKHOPPEQRTXEV-LJAQVGFWSA-N 515.009 6.746 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314640758 WDIPMZJXSVVUPB-GDLZYMKVSA-N 515.009 6.746 50 10 KKGE BrCc1ccc(Oc2cc(Br)cc(I)c2)cc1Br 2316846805 FXLOVRFVHDHNSF-UHFFFAOYSA-N 546.822 6.503 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331332785 MNZKSEJXFSAOGW-UHFFFAOYSA-N 516.579 5.885 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Br)c1sc(Cl)cc1I 2363894457 UFYZUSYIAFITBE-SNVBAGLBSA-N 515.947 7.163 50 10 KKGE Cn1cc(I)c(CC(CBr)(CBr)c2ccc(Br)cc2)n1 2367627062 UUFWREYFGLPKDU-UHFFFAOYSA-N 576.896 5.058 50 10 KKGE COC1CC2(C1)CC(CBr)(Cc1ccc(I)c(Br)c1)C2 2377332576 QKXWQHRMKFNQSS-UHFFFAOYSA-N 514.039 5.567 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3391204 QDUQJFNNOMYFPD-UHFFFAOYSA-N 573.472 6.162 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38650791 LSZGTOMDSXQAJL-RUZDIDTESA-N 509.389 6.610 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38685227 LAICGFPXTMQZJT-SSEXGKCCSA-N 512.606 6.191 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 38686420 KSANHEDQXYFSRN-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccccc3F)nc12 39858734 WNNSNTATMFDWCN-QINSGFPZSA-N 509.324 5.787 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813011 KRVIPRKHRLCKCT-RDRPBHBLSA-N 500.433 5.238 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OCC)cc1 40882585 LTBCOPVTARCGRP-LTGZKZEYSA-N 504.608 6.325 50 10 KKGE N#CC(/C(O)=N/c1cccc2ccccc12)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968647 PDZPBACEAPVEKE-KFRXSKPZSA-N 554.469 7.317 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243315 ZDKXLIJDCZAKCF-JHDFWYLBSA-N 530.093 6.767 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101333301 AONCGFQLEKVXHE-ZTKZIYFRSA-N 550.703 7.055 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101337106 VBIJZAGDSCFPEN-SFFGGSCWSA-N 557.050 5.753 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCCC(C)C 101375133 KAIMTVYEDDBKCK-WJOKGBTCSA-N 577.077 6.675 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376262 XCHRROAVLHCKDS-MUUNZHRXSA-N 563.448 6.221 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 101376368 TXDBJEDTCULICN-GDLZYMKVSA-N 547.051 6.728 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380574 KAGLGUIATVOBNG-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381885 GKNNCNFIYUPITO-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381888 GKNNCNFIYUPITO-PMERELPUSA-N 538.987 6.122 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1F 101388943 NJAXDHQFNMEYDZ-NDEPHWFRSA-N 526.520 5.834 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1F 101389000 KPYYJBVBYNNUNU-XIFFEERXSA-N 594.639 6.623 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc(OC)c1OC 101393514 FTMKENQGCGMGNL-AREMUKBSSA-N 540.572 5.821 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1Cl 101394335 FNZYLMXEPMMNTK-FQEVSTJZSA-N 536.198 6.746 50 10 KKGE CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 101699223 KRTHSBOHMHDQFL-OYZPYISSSA-N 551.393 5.292 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 101726934 AXEIOMMWPWXEII-VFLNYLIXSA-N 558.512 6.947 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2cc(Br)c(OCC)c(OC)c2)cc1 101798293 NRVLNZNYPWZJIV-ZNQUXATOSA-N 527.415 5.298 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@H](C)C2 102665478 WDQNSGVFEHEUOF-XFNCEPBJSA-N 529.445 7.162 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778964 YGLJRVSNYUBNFE-OTEPBDPSSA-N 559.103 5.126 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)Nc2ccc(Br)cc21 103722922 QJQXOFZKLVSODD-UHFFFAOYSA-N 562.487 6.281 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1 103876632 HNPIJGBWYDIECT-KKMKTNMSSA-N 593.190 6.282 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 105626947 RESUJSNFUANXAX-MWLSYYOVSA-N 536.426 5.725 50 10 KKGE BrCC(CBr)(Cc1sccc1Br)c1ccccc1Br 118671971 ZDNBSFZKUNZWIW-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 128195389 ZVSISHXVFOXKQH-NSHDSACASA-N 519.878 6.529 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 150382805 LYTQVZVCZREAAP-MGCJZSHXSA-N 627.704 6.250 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 150382893 SIIHDJKOYUXCIM-DHCNTSDESA-N 709.149 6.746 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)cc(Cl)c6c5Cl)ccc43)c2)cc1 150483595 CRMCUNYPVQGCND-NDEPHWFRSA-N 647.967 9.186 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497356 GMDUWXDPLQTVMT-PTRPMWTQSA-N 639.539 7.196 50 10 KKGE O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 150592796 FWQSFSKFNXBZPY-KBNZVFGVSA-N 679.698 5.804 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2Br)sc1Br 161115135 OUEKEGURCBOTEQ-JTQLQIEISA-N 524.297 7.173 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)cc2)c2ccc(C)cc2)cc1Br 164603852 MRWIYAIMCCREES-HNSNBQBZSA-N 652.567 5.943 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)[C@@H]2CCC[C@H]2[C@@H](c2ccccc2)N(C)C)cc1C 200646382 NDWMODCXTKDGOC-IDZRBWSNSA-N 503.667 6.842 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214255952 SGLZOTWJDHWYDQ-PVFDWLMNSA-N 525.565 5.237 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214360068 QDDXYUPJUWROQL-GJDRTLBCSA-N 609.752 5.495 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 214379363 UCOYPZBXUHZQIC-GTWSWNCMSA-N 556.666 6.819 50 10 KKGE COCCOc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 229010974 UYNKXRNYVBLLIJ-ZDUSSCGKSA-N 519.480 6.389 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)c(C)cc1Br 235863630 IJKJEJUEIZUHKN-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=Cc1coc2c(Cl)cc(Cl)cc2c1=O 254568709 DTVQVNOLTXRJDT-UHFFFAOYSA-N 549.002 5.154 50 10 KKGE CCCCCN(CC)c1ccc(N=Nc2sc(C=C(C#N)C#N)c(-c3ccc(OC[C@@H]4CO4)cc3)c2C#N)c(C)c1 254570272 DSZKYFQAVNNUCY-HHHXNRCGSA-N 564.715 8.235 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 254705368 WVNKNUMDXBSTKZ-WXDZKBKUSA-N 518.617 5.253 50 10 KKGE Brc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 312355291 NLKZMYBRFONSLT-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE CC[C@@]1(C)[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 384968967 KOPAWWATVGIPCM-NTZNESFSSA-N 555.419 5.880 50 10 KKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616679171 DSBNIRNSLKCHKB-HHHXNRCGSA-N 510.795 6.723 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721615739 SMJKMLPHDNTASJ-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE CC(C)(C)c1ccc(CNC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238383 RYHIUPIXKHJZDB-QHCPKHFHSA-N 523.020 6.694 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccccc2Br)c1C 725412076 DJUHHNSAFZQYEQ-UHFFFAOYSA-N 549.332 6.311 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1 1083942496 ATDWQILHPHTLMU-UHFFFAOYSA-N 514.489 5.866 50 10 KKGE CC1(CC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)OCCO1 1083956750 NNILUHDCIHXBHM-UHFFFAOYSA-N 546.643 5.047 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1 1084022114 PIADNRMLWVDCEM-DEOSSOPVSA-N 559.432 5.538 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 1084208088 UCXIMZZVDHWWHV-HSZRJFAPSA-N 576.406 5.372 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 1084237708 IADCQIZVSVEBDE-UHFFFAOYSA-N 724.824 8.816 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084246600 KBPVIDOJFHGJRZ-UHFFFAOYSA-N 542.101 5.772 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(I)cc1 1084260528 NIUBDJIKQWEQMU-UHFFFAOYSA-N 658.128 6.558 50 10 KKGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084483333 UECFSRYWUDRPIL-UHFFFAOYSA-N 511.003 5.141 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084520655 JZUJSNOGMOVYQL-UHFFFAOYSA-N 665.603 5.544 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1cc(I)c(O)c([N+](=O)[O-])c1)NN=Cc1cc(I)c(O)c([N+](=O)[O-])c1 1084600472 INZXJJTUXBGUTK-UHFFFAOYSA-N 808.368 5.625 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccc(F)cc1 1084622138 SDOMVKWBYMOBFS-UHFFFAOYSA-N 547.615 6.659 50 10 KKGE C#CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084632431 PCVJMLAJRDLTDI-UHFFFAOYSA-N 512.407 5.991 50 10 KKGE CN(C(=O)Oc1ccc(Oc2ccccc2)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614357926 OVMQTUGODWPTCM-PCUKAJSOSA-N 608.548 7.098 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 1772755991 XALQFAIRFNEFNO-UHFFFAOYSA-N 594.333 7.170 50 10 KKGE CC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665410 FYWPUSMWQOIDNY-ZMRDLJTHSA-N 535.651 9.113 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688751 ZWZNTRGBMJOLPH-SSEXGKCCSA-N 552.650 6.527 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865689586 TXCATJLTILMCNN-RUZDIDTESA-N 512.997 6.208 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865693332 IWDPOZFTVIPHIX-LJQANCHMSA-N 506.887 5.750 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695634 FJXPYDXXJKZTHR-NRFANRHFSA-N 567.395 6.994 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695643 FMTHUYQTHGCMRO-XMMPIXPASA-N 573.447 5.610 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696633 PAGRJSRODDNEJW-QFIPXVFZSA-N 579.838 5.896 50 10 KKGE Cc1ccc(/C(=C/C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866691860 BTCAEUHDJKMXQK-BZQABXOYSA-N 541.742 6.727 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002543 TUOCEKMMDZCNRV-IZZNHLLZSA-N 536.122 6.464 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCC(=O)c2ccc(C)cc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867090008 INLHFNZYPVWGIZ-MHZLTWQESA-N 543.645 5.131 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)cc2C1=O 1872757687 RGYWDOWESZAZIW-PYCFMQQDSA-N 509.971 5.054 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1C 1872781597 LGSXEZPYCWEGBD-CIAFOILYSA-N 521.469 8.467 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCC(=O)N(CC)CC 1872791841 VGVXKZOXIRJPMY-DEDYPNTBSA-N 521.639 5.537 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873496186 ILRVKXBTMRJZHW-FDAWAROLSA-N 520.029 5.511 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)s1 1922930049 OMSBYWTWDJXBSV-ZETCQYMHSA-N 574.777 7.344 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3c(c2)COCC3)c1Br 1924570023 DFPMRXNLMISCFI-LLVKDONJSA-N 545.916 6.593 50 10 KKGE Cl[C@H](CCC1CC1)c1c(Br)c(Br)cc(Br)c1Br 2025779322 GAPYPZBPYDBQOW-SECBINFHSA-N 510.289 7.207 50 10 KKGE O=C(C=Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2042445662 AUAZMUPOTCSMFL-UHFFFAOYSA-N 616.621 6.196 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1Br 2072061427 QJAPXOJDQQYTAG-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCn1cc([C@H](Br)c2ccc(Br)cc2Br)nc1Br 2083312045 OVSUAPNBSZDXAA-LLVKDONJSA-N 501.842 5.675 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085495228 IYQFBCPSPPERQZ-ZWBHMBAVSA-N 526.288 6.442 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@]12CCOC2 2141468381 JLXGFHCZWBZQGJ-SQPCXJJOSA-N 538.299 6.443 50 10 KKGE CC1(C)CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473216 MNNVCIVLNDJICI-CPCISQLKSA-N 582.794 7.999 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC2(CCN(Cc3ccccc3)C2)CC1 2163333541 HXEWDQXSYUFOCC-UHFFFAOYSA-N 512.717 6.490 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)c(Br)c2)c1Br 2201068990 JAZBSYKRHZMDON-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2202904918 YMSUKYPIIRHGTA-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE COc1cc(F)c(F)cc1[C@H](Br)c1ccc(Br)cc1I 2207262430 QXABWKSBBLEPRB-CQSZACIVSA-N 517.933 5.825 50 10 KKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1I 2207363555 PCPIGDPSHOFQPC-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE CC1(C)CC[C@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Br 2216420355 MRAXSKMANVTCIB-BQBZGAKWSA-N 509.927 7.093 50 10 KKGE Cc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1I 2217865846 ZXVSRMIRDFDZJB-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1cccc(OCc2ccccc2)c1 2234064513 GNHQAAOEKDFFNC-UHFFFAOYSA-N 506.625 6.868 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2264608231 WSJLBUAEMXAKJG-NSHDSACASA-N 552.351 7.790 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 2272853717 LMKZSQRHZOFUAI-SECBINFHSA-N 560.277 7.405 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2279056672 QKFVZYAOQJFFRI-CQSZACIVSA-N 503.843 7.011 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)c(Cl)c1Cl 2283192423 XFXYGWSXNNZLTM-NSHDSACASA-N 542.707 8.310 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)ccc1I 2288494506 HWTWUWBAMBRJIR-LLVKDONJSA-N 601.248 7.232 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1Cl 2296506822 GTYAAEAQPKOHTI-QHCPKHFHSA-N 542.875 7.020 50 10 KKGE Cc1ccc(C)c(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1 2296649533 FZTNSNQBOTUCLA-NDEPHWFRSA-N 608.163 7.851 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2297369574 UBBBOGMRPNBJCU-UHFFFAOYSA-N 537.313 5.723 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(I)sn1 2300648577 JXGQLJKDBCPKJL-NSHDSACASA-N 507.054 6.009 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1sc(Br)cc1Br 2301118858 IDBCLYAAPPLYKW-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1 2313518088 HFYRJPKHLXGPIF-UHFFFAOYSA-N 584.308 7.352 50 10 KKGE COc1ccc(C=CC(=NNC(=O)C(=O)NN=C(C=Cc2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 2313530573 QQUIUQDSOPKNSX-UHFFFAOYSA-N 618.690 5.489 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(I)cc1 2313568839 XRGXOZWNSSPJNS-UHFFFAOYSA-N 664.281 6.728 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc2ccccc12 2313570958 KDDWQVNDSBJODF-UHFFFAOYSA-N 502.614 7.400 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571957 PJFSJMRUDQWNNS-UHFFFAOYSA-N 501.386 7.078 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592886 DDRNTNDACJHKNM-SANMLTNESA-N 550.511 6.859 50 10 KKGE CNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593045 GKWWUXQQOLDOGR-FQEVSTJZSA-N 507.965 5.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314616873 LQSWBLVKNCMGBL-UHFFFAOYSA-N 638.655 6.779 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 2314620526 PVSWGLWKUNISKQ-UHFFFAOYSA-N 552.631 5.182 50 10 KKGE COc1cc(Br)c(CCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2314808014 QJZGFTJVGRHINF-UHFFFAOYSA-N 556.840 6.731 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OCC 2331046603 ZRTHBIGCCACSHS-UHFFFAOYSA-N 517.626 6.714 50 10 KKGE Clc1ccc(CC[C@@H](Br)c2ccccc2Br)cc1I 2337219311 RMQWDGQKZZACAS-CYBMUJFWSA-N 514.426 6.776 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1ccc(I)c(Cl)c1 2360436103 NWVWSXKBYKTGAZ-LBPRGKRZSA-N 528.801 7.481 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 2365598814 SDSNHRASTHASKO-JTQLQIEISA-N 500.805 7.886 50 10 KKGE Cc1ccc(C(CBr)(CBr)Cc2sc(Cl)cc2Br)cc1 2372288640 OSJPIABUXJXEAC-UHFFFAOYSA-N 501.509 6.743 50 10 KKGE Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 2176360 HZZLQJDHXQYXTN-LGJNPRDNSA-N 532.232 5.628 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14649808 NIJTZPFQWXOEOT-UHFFFAOYSA-N 524.415 5.264 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 33366537 IPUKQWDDESHUND-IDJUBOEBSA-N 502.039 6.276 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)cc1 33399765 SKCPOVZZXZJQJB-RMNOPMHCSA-N 502.039 6.330 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38659950 PWPIHRQHDXSJQL-JMQGSBJISA-N 514.578 5.418 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 38660151 KMTPSIZYZXABSX-SSEXGKCCSA-N 520.585 6.465 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC)c(OCC)c1 38679404 OKJHNDIWZTXCBA-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38685263 HYHDDOHPTZDPLV-RUZDIDTESA-N 519.941 5.864 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38687362 LNJJIYKJVQDGND-HSZRJFAPSA-N 502.979 6.309 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 40530255 SPCZZWHOTARRGN-XMMPIXPASA-N 515.363 6.250 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1C 40815474 BECZPZVRIAPMAB-JJNGWGCYSA-N 505.618 6.446 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(C(C)C)cc5)c(C)c43)coc2c1C 40826662 ASMHHAJNNKFAEE-INKHBPHZSA-N 511.622 6.726 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1 59680411 CZSVJCTWJPVPRJ-XBQJKBNESA-N 525.652 7.524 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232668 XHCNBFINHOURDJ-UDWIEESQSA-N 536.382 6.189 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100336554 IUCAHYQEBGUNRT-JAIQZWGSSA-N 522.355 5.168 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101336229 KFBQRQAVVNCTFS-PCLIKHOPSA-N 520.589 5.693 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101340769 VFXVCUVBZBOPMI-BJRSOBTISA-N 561.041 6.309 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)c1 101373726 REKVPCKJCCFWQY-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101373861 ODPKMHNEKCQDEL-GDLZYMKVSA-N 559.575 5.375 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 101374815 HXYLJVUZSSQPOS-MUUNZHRXSA-N 543.576 6.000 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101374926 KVOUYKRXGSPDHR-SSEXGKCCSA-N 597.495 7.020 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101375288 LXHSNYLXURMCQH-GDLZYMKVSA-N 591.502 7.244 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 101377955 VVCXIBKQOFUNRR-URAOTHONSA-N 544.623 6.766 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc([N+](=O)[O-])ccc5Cl)ccc43)cc2)cc1 101378952 NUADWMSACNPHCP-GDLZYMKVSA-N 567.985 6.573 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382716 DIHQKSHUAKSQIE-SYHMHQOJSA-N 549.026 7.064 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384468 YZGLNLKNPJFANP-MNAQKMTRSA-N 564.613 6.558 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384506 PBTOZYNKUPLZIB-XMMPIXPASA-N 612.482 6.303 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101387053 AYHPGJQKEVFOTL-JGCGQSQUSA-N 566.585 5.924 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387200 DZMSFWKOMHTSDO-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387608 ZTGUEQYOVYLSTI-LJAQVGFWSA-N 618.429 6.927 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390711 HOMPWGWYLXHLLW-QHCPKHFHSA-N 551.451 7.434 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101398611 LAIJYXDYLKJEGF-HHHXNRCGSA-N 617.485 8.364 50 10 KKGE O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 101631871 MOQOVXOMIMLQLP-ZGNRUZSCSA-N 548.382 5.903 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1Br 101751330 KYUFPGHGPRTMEE-YBFXNURJSA-N 587.854 5.919 50 10 KKGE CCCCc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 101775375 ZYSKAAWVMPMMNU-PTGBLXJZSA-N 553.080 6.419 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 102460026 NYFWLIRHFUAYGL-VEILYXNESA-N 530.649 8.041 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1 103721999 BKJKANLJNCDYEQ-NJZRLIGZSA-N 549.672 6.689 50 10 KKGE Fc1ccc(Br)cc1CC(CBr)(CBr)c1ccccc1Br 118879044 IAILFCPIZDLHOG-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2F)cc1Br 128769088 JJAYVWNYZVXGJW-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 150486325 USSQQSWJVIKNGA-MGBGTMOVSA-N 645.539 8.197 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccccc2)cc1 195813599 AFDGXIKNRXDUSK-GIDJLZFMSA-N 733.938 7.162 50 10 KKGE biogenic COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1 196371395 MPWZRRNTMBTDHR-SXACZLHWSA-N 757.964 7.745 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cccs1 207996930 ONXJXGXHUDUMBF-DFHRPNOPSA-N 598.165 6.630 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214304679 BPDRDFVQIHLBDU-MIXAMLLLSA-N 552.675 5.981 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Cl)c1cc(Br)sc1Br 229517730 KVXBZVBAIMMFON-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)sc1Br 234912651 FJCRNEMYBCVHFU-NSHDSACASA-N 537.868 6.668 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)c(F)cc1Br 236234771 CCWUCYMHCSYKJL-JTQLQIEISA-N 525.832 6.798 50 10 KKGE O=C(CNC(=O)c1ccccc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254344111 UFJMDFSSPWIEKL-UHFFFAOYSA-N 764.006 5.678 50 10 KKGE O=C(CCCCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254487396 HQBUKVIMRJXAKP-UHFFFAOYSA-N 562.670 6.005 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 254702945 ILTFCCHLCWEHAO-UHFFFAOYSA-N 572.625 5.197 50 10 KKGE CO[C@H]1C[C@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]5C)[C@H](OC)[C@@H]4C)O3)O2)O[C@H]([C@@H](C)[C@H]2O[C@H](CC(=O)OO)[C@@H](C)[C@H](OC)[C@H]2C)[C@@H]1C 255969179 DHYSCHSUXDLLKZ-PTALTIRLSA-N 815.051 5.540 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 256018188 FPHLAIONAIEFKD-HJKFRTEPSA-N 570.993 7.288 50 10 KKGE CC1(C)COC2(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)N[C@@H](CO)c4ccccc4)[C@H]3C2)OC1 504014619 RFODHSIIJZKRDJ-QCCYXRBGSA-N 503.756 5.042 50 10 KKGE CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C(C)(C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C)(C(C)C)C(C)C 605696347 VMDTYXALDGTNQY-KEWKGXPXSA-N 621.035 11.255 50 10 KKGE in-vitro C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3csc(I)c3)c2O1 720029184 AEPLMWOXLQHYBE-UHLUBPPHSA-N 514.020 5.923 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817430 AQLURWHBCUUICR-KMDASJSYSA-N 710.852 7.267 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817657 WUWBJKZWDLYUSB-JZVHMONDSA-N 684.943 5.808 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccccc2)cc1 1084164144 HYSSVKNYLFBEML-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 1084235202 HFCXYAXBVSKORR-YBEGLDIGSA-N 520.185 7.020 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1084294011 UHCDRCBBCZLXBO-ZKXYWNOASA-N 641.186 12.671 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2ccccc2[C@H](C)CC)cc1 1084512076 FLKVGYDHAASNGI-DNQXCXABSA-N 542.680 5.772 50 10 KKGE Cc1ccc(NC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084555734 JXPAMMGDTUJMII-UHFFFAOYSA-N 539.705 7.059 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)COc4ccc(Cl)cc4Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 1084559384 ACLVZCVLLBEZTJ-AFKLWXAFSA-N 564.469 6.526 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1772760424 LGDWGGXTAYRBTL-UHFFFAOYSA-N 549.867 6.353 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)ccc1O 1865681047 CXSJXLCZLDLAQI-XMMPIXPASA-N 514.969 5.524 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 1865690286 NKCXFKGXXSWCHZ-HKBQPEDESA-N 538.651 7.012 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865690870 CZACPBPIJSPZLL-RUZDIDTESA-N 551.485 6.188 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696458 NJCBBEKCFYGEKT-MUUNZHRXSA-N 555.078 7.379 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705402 UWZBCXMQVGHPCK-HHHXNRCGSA-N 544.998 6.630 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865706629 BEWGHPNTEBIBPH-VWLOTQADSA-N 564.011 6.848 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865706978 KIWIXKXCQMKCJI-MUUNZHRXSA-N 544.486 6.791 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c(OC)c1 1865707585 AEETUZGDSAZRSB-SFHVURJKSA-N 525.314 5.492 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711654 DXEBWXGSRJKVGE-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866764185 QEZUPZCDHKIFIH-LJAQVGFWSA-N 559.613 6.565 50 10 KKGE CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867185929 DBMCDZCEIXFRDY-HXUWFJFHSA-N 504.660 5.405 50 10 KKGE Cc1cc(=NC(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)[nH]o1 1868301281 MTWOWGQVDWEDFX-QFIPXVFZSA-N 511.611 5.095 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C1 1868433453 LSCWMAAVAQDKSA-IBGZPJMESA-N 528.081 7.843 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)n2)c1 1868504978 BRVBDTQAYHWZLD-NRFANRHFSA-N 523.618 6.192 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)n2)cc1 1868528224 QFDSEUMJUZGYBQ-RUZDIDTESA-N 542.108 7.724 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872748420 WNUIIMFUWZGWLH-MNDPQUGUSA-N 510.240 7.531 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(Br)c1 1872751627 QEMVSZFTZISJQK-PGMHBOJBSA-N 505.384 7.065 50 10 KKGE COC(=O)c1c(NC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)sc(/C(C)=C/C#N)c1C 1873427360 QJWUTJXBRYVQPM-OZZAOFPBSA-N 507.011 6.654 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1sc(Br)cc1Br 1922947113 YPHKFNKHTPMTNV-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE CCCOc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924600121 OQTFUBVUALUFHP-GFCCVEGCSA-N 503.481 7.153 50 10 KKGE Cl[C@@H](Cc1ncccc1Br)c1cc(I)ccc1Br 1924863191 YYOACYDRIMYKBT-LBPRGKRZSA-N 501.387 5.734 50 10 KKGE Fc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1982837460 NPQZNXODAJMOIV-ZCFIWIBFSA-N 513.871 6.721 50 10 KKGE C[C@H]1C([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2025779985 NOBSCQVWDWVKFY-QKCHBMAPSA-N 554.740 7.075 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012792 ZABGVVSMPPOCTH-SMEFPXLPSA-N 728.779 12.831 50 10 KKGE N#CC(=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 2042914017 QPDQFNYMKABTBD-UHFFFAOYSA-N 548.650 6.779 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2048338449 VHWWRKZLKBLGMR-CHIQAWFVSA-N 521.938 7.298 50 10 KKGE Fc1ccc([C@H](Br)Cc2ccccc2I)c(F)c1Br 2087569556 HYWURHMQJKMHMA-SNVBAGLBSA-N 501.934 6.011 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)N1CCC(Br)CC1 2105794019 WCLTTYSWXXOMKD-UHFFFAOYSA-N 566.857 5.207 50 10 KKGE Cc1cc(F)c(F)cc1[C@H](Br)c1cc(I)ccc1Br 2139644693 ZMAHJLHIZYPNAI-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Cc1nc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141469560 BEAHLWYYEXXBPR-SECBINFHSA-N 618.208 7.592 50 10 KKGE FC1(F)CCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471983 YPLRYRUHRQFIRI-ANLVUFKYSA-N 590.720 7.608 50 10 KKGE FCCOc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2189495946 WKEXWQPKQLNRBI-SNVBAGLBSA-N 507.444 6.759 50 10 KKGE ClCc1cc(Br)cc(Br)c1OC[C@@H]1CC1(Br)Br 2213081358 CMDQCIHMORRGRO-ZETCQYMHSA-N 512.261 5.835 50 10 KKGE Cc1ccc([C@H](Cl)c2c(C)c(Br)cc(C)c2Br)cc1I 2232836520 IDERRVXTBAAAJO-INIZCTEOSA-N 528.453 7.070 50 10 KKGE COc1c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)csc1Cl 2284308838 IQVFHGQIDVLSRE-JTQLQIEISA-N 588.768 7.788 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3ccc(OCC)cc3)c2-c2ccccc2)cc1 2294168590 UCCYKKNDUOPYPY-UHFFFAOYSA-N 581.672 7.932 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506737 CFQGPYXFJOZPIB-HSZRJFAPSA-N 534.435 5.523 50 10 KKGE C[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1 2297459422 QKJSKFUCAXEKTM-ZDUSSCGKSA-N 510.413 5.540 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cccc(I)c2)cc1 2297672119 GWFMROORNZXXGR-UHFFFAOYSA-N 506.428 6.575 50 10 KKGE Cl[C@@H](c1cccc(I)c1)c1cc(Br)ccc1OCc1ccccc1 2299504939 RKNPYNHGBSNEGY-FQEVSTJZSA-N 513.600 6.961 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2ccc(Br)cc2Br)s1 2301087197 VQFPVMOATPSTES-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE ClC[C@H](OCc1cc(I)ccc1Br)[C@@H](I)CCl 2302820304 WEYSAJNOOLNWHH-QWRGUYRKSA-N 563.826 5.220 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1 2313568348 VBSMRKHUIMTOFQ-UHFFFAOYSA-N 582.498 6.446 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571068 MOXHVTGTXDOTNL-UHFFFAOYSA-N 706.987 8.248 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Br)cc1 2313670826 YTYNZKILYYQUNI-UHFFFAOYSA-N 556.800 6.534 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592302 QIMPNDVDGBGNHU-VWLOTQADSA-N 536.484 6.929 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593875 VJDAANRJJJLYII-XMMPIXPASA-N 537.563 5.457 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314617340 WKRBVSLWMBUPCH-IBGZPJMESA-N 504.590 5.398 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 2314640757 WBQRNMPKHBZKAK-YTTGMZPUSA-N 532.571 6.550 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643322 QFOXYZYPAUJULP-BHVANESWSA-N 635.160 8.452 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)n1C 2315598780 RJPXTTIHNWVEGJ-RXMQYKEDSA-N 586.767 6.324 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231826 HHSHRHQOVGRBLB-VWLOTQADSA-N 505.643 7.194 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331464566 RVMHLATYVLVNNF-UHFFFAOYSA-N 513.666 8.693 50 10 KKGE FC(F)(F)C([C@H](Br)c1ccc(OCc2ccccc2)cc1Br)C(F)(F)F 2336084113 QHOMHLDSQLAUKT-CQSZACIVSA-N 506.078 7.205 50 10 KKGE Cc1cc(I)c(Oc2c(CBr)ccc(Br)c2Cl)cc1Cl 2361709324 NTCUGTBPQIZRBO-UHFFFAOYSA-N 550.843 7.356 50 10 KKGE Cc1nc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1C 2362489971 NSRBDXBIHQHJIA-SECBINFHSA-N 509.826 6.137 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)CCc1cc(Cl)cc(Cl)c1 2366878887 UMIYAJUSQNFQPG-SNVBAGLBSA-N 505.863 6.321 50 10 KKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c(Br)c1 33723005 FKOAFKPVHADEMT-UVHMKAGCSA-N 515.791 5.468 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)CC1 38700956 YFKZXHRDHAFTRE-SWFUTCNKSA-N 532.681 6.994 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc21 38701435 SEQNLLSYQDPQGK-NSOVKSMOSA-N 512.562 5.219 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 100122041 CBZAFOKNWRJNIV-NQWDTQFISA-N 528.634 6.117 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 100235390 FUEXGHDLUHFUHO-ZZJXEYPFSA-N 624.757 6.807 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Br)c1 101115832 FJJJJLINWNJIOS-UVTDQMKNSA-N 556.203 6.102 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244416 CASBJHYPOPXVHH-FYAMCCBRSA-N 522.457 6.621 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)C2=O)cc1OC 101339306 HTUKDJYJJPIHPI-LFVJCYFKSA-N 510.546 5.001 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101339473 NTTUGPFCOCIDJL-UZWMFBFFSA-N 584.720 7.374 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 101367460 ZUXXTHPZLSQFJD-PMERELPUSA-N 617.485 7.417 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCCC(C)C 101368346 JKUUGIPXNJFQSD-PMERELPUSA-N 542.632 6.345 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc(OC)c1OC 101368723 TZJJOXJSUYDXMJ-KWMCUTETSA-N 544.604 5.427 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381862 BEEATZJZOFCWHF-YTTGMZPUSA-N 546.623 6.882 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383285 KYBMHUGEHJFGKT-HKBQPEDESA-N 553.014 6.430 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384090 UNTFBIIUSYWMKC-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385422 CMLSCVJUWNPBQN-YTTGMZPUSA-N 562.622 6.419 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 101387587 LIYIXURMLVEFPS-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(C)cc1 101387756 XGIUAUOJTSNALO-LJAQVGFWSA-N 538.625 6.472 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388050 QRZNANFYUJJVQM-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)sc2c1 101393687 YUPCJSWZGBCDMP-MUUNZHRXSA-N 565.050 8.093 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 101398034 YWHKPHAXUSVKJP-LJAQVGFWSA-N 607.877 7.672 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(Br)cc5)c(C)c43)coc2c1C 101619835 IERRRXGAVSPSPQ-DFKUXCBWSA-N 591.462 5.188 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 103742444 OYAFBGSNTVUHOM-SLSCBCEPSA-N 542.875 6.389 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 103797132 MJUARGNWERAKOG-FJEPWZHXSA-N 611.290 6.205 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103879406 JIXCVICTBFYDJI-MZJWZYIUSA-N 538.354 5.845 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 110554867 PVUPAHPLGCZWCG-NDZAJKAJSA-N 549.627 6.904 50 10 KKGE Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc2ccccc21 110559131 DUCXGYPMZVOQED-LKUDQCMESA-N 562.699 6.055 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)sc2Br)sc1Br 126731327 DPEJPOBHOCRLLP-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 150428961 YVJSXKUOAFICDJ-PCYMAAINSA-N 669.208 6.916 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 150431782 QUANQANUBHTSLA-HKBQPEDESA-N 649.502 7.946 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2cc(Br)ccc12 150482614 OLUSRRGIHSACCL-PMERELPUSA-N 641.905 8.174 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 161221821 UDZGVDCBZNRNEM-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c1 164603714 VVFPDLHOBNJZJN-HNSNBQBZSA-N 652.567 5.943 50 10 KKGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164640193 MTRHOJJRLQLZIN-VTNSRFBWSA-N 733.344 6.368 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205660669 JOEIILZKAKNNGO-KFBHMYJPSA-N 510.590 6.101 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 205671402 JVASRLKVOSQXNS-DQDYUWOBSA-N 618.705 7.938 50 10 KKGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 206544161 NOCLMBPPEDPHLO-IQJJTXKVSA-N 508.530 5.195 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 207295781 JLMKRSZPONTSPN-NYPLSXEESA-N 544.604 5.708 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214285572 WVXLDOXUYBETDK-MIXAMLLLSA-N 562.601 5.496 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214369950 MXFWYRUMBMQWSO-VAMRJTSQSA-N 616.718 6.570 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214432046 AWAOFIBMJOYYQG-COEJQBHMSA-N 596.684 5.136 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(I)ccc1Br 234913482 CQEQZABIRNZBFL-CQSZACIVSA-N 578.839 6.448 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(I)ccc1Br 236230681 KEOPXOSOWIBQPE-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE CCCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530136 HOLIBVBKAUVEFC-BDJKVJHVSA-N 563.705 9.893 50 10 KKGE biogenic CCCCCCC(CC(=O)CCC(=O)NCCc1ccccc1)=NNC(=O)c1c(O)ccc2ccccc12 254310616 SGTIJJTVJHWMLR-UHFFFAOYSA-N 515.654 5.700 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)COc3ccc(Cl)cc3)c3cc(Br)ccc32)C1 254405530 HFLOZBHUTHHYSO-UZTOHYMASA-N 573.919 5.207 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br)c1ccc(Br)cc1 254633757 PVVCDWOUSYOVLR-UHFFFAOYSA-N 659.954 6.720 50 10 KKGE CC1(C)[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 310439219 VSNCAQTVWJHZLH-VHSXEESVSA-N 541.392 5.490 50 10 KKGE C[C@@H]1[C@H](O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504214946 DFPBBOCDGYBNBR-YNIHLLKVSA-N 550.689 5.419 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C)C(=NNC(=O)c1cc3n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 575733358 QCDAPCLAWUINIF-IUOOBWKPSA-N 527.513 6.250 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083817649 WUUPISRMPWBNRI-SOHFUPNTSA-N 744.913 6.611 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083950352 ZIVRHORELJCYHP-UHFFFAOYSA-N 522.226 6.036 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1083997428 TWCVGXHEKQOSFC-YBEGLDIGSA-N 536.242 7.824 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 1084178127 WQPBPWAFOPGUFJ-UHFFFAOYSA-N 609.642 7.679 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1OC 1084213990 RXMKIEUNRNURIF-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl 1084274176 ZSADYTXZAZVAKA-UHFFFAOYSA-N 598.530 8.501 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 1084284242 NPRXFRULLHTYCT-UHFFFAOYSA-N 523.976 6.828 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccco1 1084443952 LLCUSUMNDTVJSK-UHFFFAOYSA-N 508.361 6.182 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084469403 WJWOZAZKEYAGHY-HHHXNRCGSA-N 571.501 6.672 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl 1084492410 CQWOAAUZKDPILF-AREMUKBSSA-N 507.030 6.010 50 10 KKGE C=CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084629610 PRLKMAVRNUMRMB-UHFFFAOYSA-N 591.449 6.395 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(C(F)(F)F)c5)c(C)c43)coc2c1 1772752012 RNOVXCPPKZTCLH-UHFFFAOYSA-N 537.538 6.621 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C)cc1 1772754996 FSOOOGZMWSNKRR-UHFFFAOYSA-N 517.676 6.339 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686469 WHZIJQQDEIJIRL-OAHLLOKOSA-N 530.131 6.179 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCCc1ccccc1 1865688049 HNGVVWSKLHJVGO-WJOKGBTCSA-N 528.612 6.182 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691758 AGISARZNSMBMTH-MUUNZHRXSA-N 560.610 5.945 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1 1865692102 AOFSPPOWTAEKCR-VWLOTQADSA-N 508.578 5.232 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714085 CCMNBFKXHGVNOB-QHCPKHFHSA-N 565.830 6.380 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867098321 HSKLJPSZBRRUIA-CUNXSJBXSA-N 519.642 5.990 50 10 KKGE Cn1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867104216 UYMQLKZEVBQYCM-VWLOTQADSA-N 563.655 5.609 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872749268 JCNATEIHHQSFDY-FTRAKHFHSA-N 501.652 6.569 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1OC 1872752046 KPKLKMWKROVKOC-HKPMJKOLSA-N 519.420 7.249 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872756687 VUVNOCQOUKPELL-FXEAUDGPSA-N 505.599 6.127 50 10 KKGE COc1cc(C)c([C@H](Br)c2scc(Br)c2Br)cc1Br 1901695766 KKSSMPMZXMZMDJ-NSHDSACASA-N 533.905 6.837 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)cc1I 1901948683 GAZFTLJHDMBCSS-IBGZPJMESA-N 506.653 6.366 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915753756 LCTSSRIOJLGGAL-UHFFFAOYSA-N 504.060 6.028 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)cc(Br)c1 1924042159 YZVKZQWTMDORJF-CLAHSXSESA-N 512.865 6.609 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924571654 TWEZJOLESDQGGE-SSDOTTSWSA-N 528.289 5.860 50 10 KKGE Cn1ncc(Cl)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924608433 IEZCEBJPHOSXMA-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)n1 2010564189 RYNLTGKOLWWCEB-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1I 2053623142 HSVILBOFKZRUMP-UHFFFAOYSA-N 514.750 6.069 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(I)sn2)cc1Br 2078002640 CKRPXLIAERQLGL-GFCCVEGCSA-N 502.997 5.312 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085495701 RYERMURNIQKOKK-RYUDHWBXSA-N 526.288 6.443 50 10 KKGE Clc1cc([C@H](Br)c2csc(Br)c2Br)c(Cl)c(Cl)c1Cl 2093948096 SIIOVBIEZBCKIL-LURJTMIESA-N 548.736 8.371 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(F)c2Br)c1Br 2138854291 SLIILOSIDJCYAE-CYBMUJFWSA-N 515.840 6.906 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1Br 2141801815 WBISMFGUTHFMJW-BYULHYEWSA-N 537.937 6.534 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)c(OC)cc2Cl)c(Br)s1 2202348577 ZNOQBCWSDDYYCV-LLVKDONJSA-N 504.469 6.377 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2206398090 QPKWRTZJRYCQPZ-NSHDSACASA-N 767.511 8.588 50 10 KKGE CC(C)N1C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2216395388 QNYZRLGEEHEYNQ-RNFRBKRXSA-N 510.915 5.607 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)sc2Br)c1 2217421435 WVECGYGJMUPQOE-NSHDSACASA-N 550.879 6.670 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)c(Cl)c1Cl 2232513872 SNXFUBXPPZPLGI-LLVKDONJSA-N 589.707 8.105 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2OC[C@@H]3CCC[C@H]32)c1Br 2233185720 LACBGACAYHVMOA-VPBSLNAKSA-N 596.777 6.988 50 10 KKGE C#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 2294187406 KRDKAJPXGVATDC-UHFFFAOYSA-N 520.754 5.209 50 10 KKGE CCN(CC)c1ccc(C=C(C#N)c2nn(CCO)c(N)c2C#N)c(OCc2ccc(Cl)cc2Cl)c1 2296737707 BEYJKZLDNPTNDN-UHFFFAOYSA-N 525.440 5.125 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(O)ccc3ccccc23)cc1 2297450781 ATVUPRSENPSJTL-UHFFFAOYSA-N 512.997 5.186 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CC=C[C@H](CCCCC)OO 2297721891 ILISYDMFRZNALR-WVILEFPPSA-N 800.068 11.409 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 2313543512 FQYPBGDPQAEZGB-KNQAVFIVSA-N 524.831 6.054 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570804 GPAHLHDIHLOYMA-UHFFFAOYSA-N 517.199 7.297 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 2313683446 CRTSDXDTGJCYKM-UHFFFAOYSA-N 542.227 6.345 50 10 KKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489957 UPLRMINOOSHXBE-UHFFFAOYSA-N 541.415 8.701 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C1 2314507219 JETCQFGXKIKFGE-QFIPXVFZSA-N 548.672 5.900 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592350 RPCMKDQNKXXJIK-RUZDIDTESA-N 534.037 5.812 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592532 WUEPNHPJUZAHOD-XMMPIXPASA-N 538.456 6.375 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 2314618874 VWLRQUYJWZZZBL-UHFFFAOYSA-N 533.563 5.265 50 10 KKGE COC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 2314772825 ZIPKMPLTHSVJEK-UHFFFAOYSA-N 536.806 5.573 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1csc(Br)c1Br 2316180494 RKSGCDHYJKVRDN-JTQLQIEISA-N 537.962 7.534 50 10 KKGE CC[C@@H]1C[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2320331075 NRFAYDAKUASNED-PRJMDXOYSA-N 568.767 7.609 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(I)ccc2Cl)C1 2327239787 FZLQTBCIXPMQHY-SFHVURJKSA-N 544.655 5.626 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c2ccccc2)cc1 2331396418 WEJDGVPEGLSTJD-UHFFFAOYSA-N 520.698 8.848 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccccc1C 2331488934 JAYGEONLRWRMSC-UHFFFAOYSA-N 521.469 8.467 50 10 KKGE CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2333109899 WPYBDOJHQDQXDD-AQBHKBGRSA-N 556.992 10.171 50 10 KKGE Clc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(I)c1 2340065555 LRZHUZMPTJOAQA-CYBMUJFWSA-N 548.490 7.468 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1 14650811 CBIOGFSDAWBENA-UHFFFAOYSA-N 511.416 5.528 50 10 KKGE CCCCc1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(CCCC)s2)s1 20594938 JDLMWHBXDKDFGM-VFIVCBTMSA-N 530.804 7.216 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccccc1 33897690 FOUGHQUVKXEWIX-LDADJPATSA-N 514.750 6.069 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38659889 SLPHRLZLHLTCSM-MUUNZHRXSA-N 514.578 5.204 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660754 SMOXHLDDEQEAGJ-SSEXGKCCSA-N 516.597 7.214 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1Cl 38688406 AFRDGCNPNXSTTR-JOCHJYFZSA-N 515.418 6.671 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 39858592 IDEOBNHEYWAKJD-OWBHPGMISA-N 511.752 5.993 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 58894017 DPVNRSOFSNXGNJ-KWAQJPELSA-N 512.606 5.790 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 59260987 UZLZMNMBQFZSIL-BIZUNTBRSA-N 514.614 5.878 50 10 KKGE CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2Cl)c(OCC)c1 59485169 JEHOVZCZQXCCNL-CXUHLZMHSA-N 511.743 5.392 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cc2ccccc2o1 59680268 YPBLMTPKFSIYFF-IPBVOBEMSA-N 508.188 7.389 50 10 KKGE O=C(Nc1cccc(Cl)c1)/C(NC(=O)c1ccccc1)=C(\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472535 DXNWPMZKGGCHJN-MVJHLKBCSA-O 596.474 7.111 50 10 KKGE Cc1ccc(CN(CC(=O)Oc2ccccc2P(=O)(c2ccccc2)c2ccccc2)Cc2ccc3c(c2)OCO3)cc1 101041733 ASFYFHCGCKXBJV-UHFFFAOYSA-N 589.628 5.971 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241256 UDZKBUIXJSCLRM-OKBUYZRPSA-N 552.483 6.135 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Br 101337446 FWKDDJSUBLDXEB-QZLJHNFXSA-N 593.481 6.664 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101372051 LRFHACJWNVVHGJ-MUUNZHRXSA-N 577.475 6.854 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373814 AHRNGJGPFNIWFF-SSEXGKCCSA-N 540.660 6.999 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc([N+](=O)[O-])c5)ccc43)c2)cc1 101382555 KVSDSKGBFWCHDJ-GDLZYMKVSA-N 533.540 5.920 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101384356 MWRGZNRAOJLSEB-GDLZYMKVSA-N 605.449 7.548 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385651 ZBGQJTXUAGGJMR-MPTHVEHBSA-N 599.470 7.418 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101386273 QCYLNWMBXLNDBH-FZYZMVIOSA-N 601.030 6.658 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387070 CKOIOEKGHIHQPE-BKXKUFNLSA-N 583.015 6.904 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 101397155 IHFRCSXSZOBCGX-NDEPHWFRSA-N 573.114 8.341 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)CC1 101399990 RVQVOSWOFDEQMX-KXRUWWJVSA-N 598.715 7.924 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 101761034 RAJNSPRTFXHSNA-CIAFOILYSA-N 554.868 7.592 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103736697 WUWFWZWQUTZWPJ-KTBDRLKFSA-N 594.236 5.966 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1 103806380 NHEJNOKSPFWGAO-OCSSWDANSA-N 583.651 6.381 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1 103888996 YMHXGAWPXHKHMU-WQRHYEAKSA-N 546.248 7.279 50 10 KKGE C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O 136579854 KYSAZQMUXWZIQI-CUAOZKIYSA-N 514.659 5.264 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 150411102 DHVVTNWZAHJFSD-YGUAJQJCSA-N 731.230 6.697 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCCC(C)C 150422754 SEHKWMAVKRNDNW-SSEXGKCCSA-N 631.523 7.765 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150443325 USGONKRNKDMIQG-GDLZYMKVSA-N 695.983 9.416 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150469552 XECVUICAGKJNRG-GOSISDBHSA-N 616.737 7.878 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150488512 YZNWYWAOGGERSM-HXUWFJFHSA-N 626.707 7.721 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OCC)cc1 206415023 LTBCOPVTARCGRP-PGMHBOJBSA-N 504.608 6.325 50 10 KKGE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@H](OC(=O)CCl)[C@H](COC(c5ccccc5)(c5ccc(OC)cc5)c5ccc(OC)cc5)O4)c(=O)nc3o2)cc1 207824723 YURWKDZGGNYOEA-YKXUKSTASA-N 777.314 8.853 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 214233258 BJCUCAJWEHQVDE-DIBXZPPDSA-N 508.622 6.111 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214340685 CJRYJXFMUQWLCK-UXOBJBFUSA-N 591.693 5.143 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214349137 FYJMAOOOPYBFBD-NHXQZRDHSA-N 640.743 8.106 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214359473 CESUYWPZYMJTKN-GTWSWNCMSA-N 554.650 6.653 50 10 KKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1 232474019 AXOHPNJZZHPENM-AWEZNQCLSA-N 510.951 5.641 50 10 KKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(Br)ccc1I 234859304 PTZVYILQGOLCEU-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1 236062060 WGGULOPNMUQYON-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)cc1F 236256947 DQFHCXUBPJFRNP-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 254698577 OOCYOUVGMXHSRQ-UHFFFAOYSA-N 566.633 5.613 50 10 KKGE C/C(C=NNC(=O)CNc1ccc(C)cc1)=C/c1ccc(/C=C(\C)C=NNC(=O)CNc2ccc(C)cc2)cc1 254877633 YOJAOIFOIXVWSI-IDNVHZDBSA-N 536.680 5.538 50 10 KKGE O=C(CSc1nc2ccccc2o1)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 254895885 FHWHHSIDVBSCSN-UHFFFAOYSA-N 561.667 5.447 50 10 KKGE CC(=O)c1nn(-c2cccc(Cl)c2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(C)=O)nn2-c2cccc(Cl)c2)s1 1083885895 IHRCRYJOTAXDBZ-UHFFFAOYSA-N 721.742 9.157 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1083896262 DPVNRSOFSNXGNJ-NDEPHWFRSA-N 512.606 5.790 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)c1 1083946181 MUDXKDCNXSCFNX-UHFFFAOYSA-N 639.572 5.528 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc(C)c1 1083996622 AVCRUKOJLNOZNC-UHFFFAOYSA-N 655.536 7.717 50 10 KKGE Cc1cc(C)c(C(CSc2nc3ccccc3[nH]2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 1084014627 OFQLJHVXXRPEHQ-UHFFFAOYSA-N 518.555 5.231 50 10 KKGE Cc1nc2ccccc2n1CC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1084075179 VDMSBRNROFIKRX-UHFFFAOYSA-N 511.807 5.490 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084096005 BYSKFDUGDVPGMO-UHFFFAOYSA-N 622.143 5.980 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)OCC 1084120394 JPEWPSWOZJHODN-LDADJPATSA-N 503.382 5.608 50 10 KKGE O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 1084223344 KAGCXHAPYQVXNU-UHFFFAOYSA-N 534.366 5.619 50 10 KKGE Cc1c(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1 1084318571 NMAYZVUNXGBURE-UHFFFAOYSA-N 520.814 6.924 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 1084391361 JCGDNIGBZYVJAW-UHFFFAOYSA-N 504.439 5.346 50 10 KKGE O=C(NN=Cc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc(Cl)cc3)cc2)cc1 1084536889 QCTKARYZZYCROS-UHFFFAOYSA-N 579.465 5.354 50 10 KKGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 1084544600 FCCSMQHWHNFPFF-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2OCc2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084557377 WYNDCEKLADCFOI-UHFFFAOYSA-N 616.061 6.592 50 10 KKGE CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1084625641 QQUYCMCBILGHNX-OAQYLSRUSA-N 536.253 6.643 50 10 KKGE Clc1cccc(C(c2cccc(Cl)c2)(c2cccc(Cl)c2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 1615943966 KMSNCKFHKRWGPS-UHFFFAOYSA-N 608.956 9.933 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1ccccc1 1772719672 KWSPEJHEFBGVHR-UHFFFAOYSA-N 594.465 7.046 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749067 JHZDHBREEXBDQI-UHFFFAOYSA-N 605.894 7.276 50 10 KKGE COc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749224 JNUFHOJVTUAFIU-UHFFFAOYSA-N 516.381 5.391 50 10 KKGE CC(C)N(C(=O)c1c([C@@H](N[S@@](=O)C(C)(C)C)c2ccccc2)cccc1P(c1ccccc1)c1ccccc1)C(C)C 1857788328 QCHFDSOJNHJXQT-AJWXIOOLSA-N 598.793 6.845 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865686434 VYCYBLMPPBNNLM-JOCHJYFZSA-N 542.253 7.430 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865687428 RADBVHMYYYBZNH-DEOSSOPVSA-N 537.458 5.993 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697500 UWIDKKZCHQTQBS-HSZRJFAPSA-N 513.425 6.147 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697622 YIHILUGWQPUEQL-GDLZYMKVSA-N 555.078 6.386 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)c1 1865700644 ADRDDCVOQDCSTQ-HKBQPEDESA-N 573.096 7.666 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700690 BGFVRXBCZJNUPB-DEOSSOPVSA-N 546.986 5.635 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701103 MAIUTLJXNFYTGK-SFHVURJKSA-N 548.210 5.082 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704342 TVXIOUXABSZLIH-HKBQPEDESA-N 561.085 7.488 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 1865710796 IQMMVWDJWNSVFS-DEOSSOPVSA-N 500.524 6.452 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714097 CJTBOKNDZDPRGH-QFIPXVFZSA-N 550.358 5.687 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866648707 TVNRSWOONVFFBH-HHHXNRCGSA-N 556.713 6.131 50 10 KKGE Cc1ccc(/C(=C/C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866690833 CBILWXKLGXSIAK-ITQMKJDXSA-N 511.647 5.742 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(CN4CCOCC4)CC3)n2)c1 1868505939 NYOYHPSTLFOYON-UHFFFAOYSA-N 516.671 5.018 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758184 OQYXVZCDYJYZIU-QQQNJIPZSA-N 520.825 6.625 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1873795655 VZAVISKPFVROTM-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE Clc1ccc(I)cc1CN(Cc1ccccc1)[C@@H](CBr)C1CC1 1905038974 AKHHDGWKIJEMLX-IBGZPJMESA-N 504.637 6.120 50 10 KKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924592842 AABRPQRNAPMKDI-SECBINFHSA-N 542.287 7.265 50 10 KKGE Brc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924609561 ZPUSDUFNXBRURQ-QMMMGPOBSA-N 582.775 7.477 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Cl)Cc1ccccc1 2009621218 CHRZHTGXTJHXLO-UHFFFAOYSA-N 521.908 5.558 50 10 KKGE ClCc1cccnc1Nc1cc(Br)c(I)c(Br)c1 2039939804 OBZIKXYBHRAHGP-UHFFFAOYSA-N 502.375 5.694 50 10 KKGE Cc1ccc(S(=O)(=O)N=C2c3ccccc3C(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@@H]2Br)cc1 2055393223 FLELJGYJBJTRIZ-VXKWHMMOSA-N 624.376 5.200 50 10 KKGE Cc1c(Cn2nc(CBr)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079250884 LFDIDYVFCBFCSV-UHFFFAOYSA-N 527.044 5.777 50 10 KKGE C[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085492165 HBICUUSQPOBYIB-QTTZVWFDSA-N 526.332 7.699 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(F)c1Cl 2136966966 OZHOYKYVLSNEPY-VIFPVBQESA-N 515.826 7.295 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(I)c1 2142277948 WTZWRXPLUMBLDN-CYBMUJFWSA-N 576.917 7.239 50 10 KKGE FC12CCC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CC1)C2 2206396433 WQMJPLNVKUPANY-IYXRBSQSSA-N 598.768 7.845 50 10 KKGE CC[C@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206404820 YQQPWANVVPYTAH-KEMUVXCRSA-N 552.370 8.233 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1C 2215942700 BSEINCNMIBKNHH-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1ccc(Br)cc1I 2278007442 HEIPWAWSMVGBKC-ZDUSSCGKSA-N 548.490 7.421 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 2293724518 WILQGSKEXVNXRF-UHFFFAOYSA-N 506.678 5.900 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Cc3ccccc3Cl)ccc2O)cc1 2295489500 VTVZBMBKOVLTTF-UHFFFAOYSA-N 553.062 5.624 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)cc(OC)c1OC 2296645832 HSFZTFLOKHKUHG-UHFFFAOYSA-N 743.430 6.439 50 10 KKGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 2297486823 SMBKGZUJDDXIFU-HSZRJFAPSA-N 528.870 5.918 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 2313567166 CNULTKVAYRZFOB-UHFFFAOYSA-N 526.774 6.444 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C1 2314479479 YOBOVAWPFVWLGS-QHCPKHFHSA-N 562.699 5.911 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2314531860 FJXVWHUGJKXLMO-UHFFFAOYSA-N 510.859 5.705 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591990 IZYMXDSQCHKMFF-XMMPIXPASA-N 572.008 6.822 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314618681 RSJALOZWBGLUOO-HSZRJFAPSA-N 506.602 6.326 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634473 WLMHLFLVCRHVPF-MUUNZHRXSA-N 551.426 6.628 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644624 XVBOWYHLERXZQT-MGBGTMOVSA-N 682.387 9.115 50 10 KKGE CC(C)c1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314750993 JFNBCDQDFOJKDG-FQEVSTJZSA-N 506.558 5.920 50 10 KKGE Clc1cc(I)c([C@@H](Br)Cc2ccc(Br)cc2Cl)s1 2316771229 QZFAZAHERIZZIC-QMMMGPOBSA-N 540.873 7.101 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)cc1I 2340027144 JQUHATBSHKZRCD-RTHLEPHNSA-N 515.414 6.342 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(I)sn2)c1 2353044286 DVTPBNSXWLYFFM-LBPRGKRZSA-N 517.024 5.566 50 10 KKGE Brc1ccc([C@H](CI)OCc2cc(I)ccc2Br)cc1 2367601563 KVHSMSCHPJHGAO-HNNXBMFYSA-N 621.876 6.509 50 10 KKGE N#C/C(=C/c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc2c1 1777224 DSTFJYWTZUMIPX-GDNBJRDFSA-N 530.285 7.298 50 10 KKGE Cc1ccccc1N1C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)S/C1=C(\C#N)C(=O)Nc1ccccc1 13750045 PTVKHWYCXRHPSG-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 29503115 JFBOEZGFPHMHNX-UDIHKNFBSA-N 600.766 5.853 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2)cc1 35446154 QMUNSNLKVBPVCK-FTFCHFIQSA-N 518.617 5.629 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655737 AVGSJFPHGPLFTF-QHCPKHFHSA-N 512.305 5.104 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 38679410 XGPDGSTYGXHBIC-HHHXNRCGSA-N 504.970 5.504 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C)cc5)ccc43)cc2)cc1 38686238 SFERXBGGAVOVSH-SSEXGKCCSA-N 502.570 6.320 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)oc2c1C 38688560 IABBPKWIZMJGPJ-NDEPHWFRSA-N 500.554 6.949 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)c1 40811351 SPNHPAIHNGIQDC-MUGXBBEHSA-N 505.618 6.209 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)ccc1Cl 40815599 LMKGUEVZHIMHHL-INKHBPHZSA-N 527.020 6.758 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 58894314 MGDKGYOQWRFREE-PGHBFPSBSA-N 526.633 6.180 50 10 KKGE Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)c1C 97024382 HVFZQWPGXOGATI-UMTMIXLZSA-N 511.372 5.115 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)ccc1OC(C)C 97914673 HWGQDRRFIOFRFJ-SANMLTNESA-N 521.485 5.893 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)ccc1OC(C)C 97914787 OONXBRDWMYGEIX-XTMOMDIJSA-N 535.512 6.139 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206076 VVDOHWLURUHVMO-UHFFFAOYSA-N 538.225 5.217 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1 100234699 ARYUVCPHWXSMCB-ABZYITTCSA-N 529.406 5.530 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100452208 JCGMLSAHQDLRDT-OXOGFPMKSA-N 552.425 5.629 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 101033302 FAWPWLRFWDBXTJ-HKOYGPOVSA-N 574.662 6.999 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 101034154 MSFDVTJUFGTYGP-YRNVUSSQSA-N 519.228 7.837 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338136 ZPQQUTPGDJWVKC-MWAVMZGNSA-N 558.707 6.876 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341324 FVBDVVNZPDMYSQ-YZSQISJMSA-N 540.645 5.197 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc(C)c1Cl 101363860 MQXXMPKXXHKBKX-DEOSSOPVSA-N 539.813 5.922 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101375335 YEYOGRVTJMEKLO-DIRGTLEOSA-N 573.089 7.535 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381093 YOYVHTNIAVYNQG-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383206 FJTFLNCTQIPTSP-HKBQPEDESA-N 553.014 6.430 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383347 KEPWICXQEZVFFJ-YTTGMZPUSA-N 581.068 7.391 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)oc2c1 101391366 UCHLBEDWZLPPRQ-RUZDIDTESA-N 529.390 6.558 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101393039 KNBMHOFUFQJWJU-SSEXGKCCSA-N 552.627 6.983 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399710 ZCWXNRPJFMXRKL-UUWRZZSWSA-N 600.671 7.773 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 101697821 PGLCNTZUARCJMN-WLMJRQBISA-N 558.631 6.098 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(Cl)cc1 101766771 PRTHEOKOWRPPBK-KCSSXMTESA-N 587.942 7.297 50 10 KKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cccc(Br)c2)cs1 102422016 AVNQQNJJJPUIFA-MNDPQUGUSA-N 510.457 7.286 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 103796587 DRVQDNQWCDANKV-SAEPALGJSA-N 618.948 8.764 50 10 KKGE Cc1c(Br)ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1C 103816550 FBUSNIURMNAXHL-FSJBWODESA-N 600.513 8.248 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C(C)C)cc1Br 104803728 SFCGDQOIDQGWDV-UHFFFAOYSA-N 589.556 5.114 50 10 KKGE BrCC1(COc2c(Br)cc(Br)cc2Br)CCOCC1 114766855 GNTUOJVAZBAALX-UHFFFAOYSA-N 521.869 5.545 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 128295197 WQLUCSMFIZFXMI-JTQLQIEISA-N 524.297 7.173 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389066 XIXKPFYKNSEFLO-UHFFFAOYSA-N 677.202 5.491 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150428116 PZMZTSKZBXVYTO-SMXMXQJSSA-N 846.168 8.101 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 150627286 NZEBUJYTGQFTMY-SCIJIFGBSA-N 617.750 6.930 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cccc(C)c1I 234796897 KWVJIEJIEJDNKU-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1 254493649 IDVYUQGPSYEVIG-UHFFFAOYSA-N 724.425 7.138 50 10 KKGE C[C@H](Br)[C@H](Br)C(=O)OCCCCCCCCC[C@@H](Br)CBr 256078566 HCPKWZMVGKDCSX-MJBXVCDLSA-N 557.987 6.356 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616578934 WFEKKNWHTUYAKR-HHHXNRCGSA-N 515.006 5.034 50 10 KKGE CC[C@@H](Oc1ccc(Br)cc1/C=N\NC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 675031816 OWOVKJIDZSPCJM-ZESSNMITSA-N 618.890 5.110 50 10 KKGE Cc1sc(C)c([C@H](Br)c2cc(Br)ccc2I)c1C 722487325 OHTOMIRVNQMJPO-CQSZACIVSA-N 500.037 6.525 50 10 KKGE COc1cccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccccc1Cl 725386262 JNQFEYKIFCBKJA-UHFFFAOYSA-N 500.982 5.314 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1 725393004 PJIJQUACKYIOQR-UHFFFAOYSA-N 572.731 5.103 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725405280 YKLCUUAFQKRSST-UHFFFAOYSA-N 612.535 6.317 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 725437586 PCYJGDBPBIROKP-QHCPKHFHSA-N 529.406 5.530 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084085018 BVKIFYNBEFJPTR-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 1084255152 XLPKYEJBXAIQBU-WJOKGBTCSA-N 566.639 5.712 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)cc1)S(=O)(=O)c1ccccc1 1084296460 IMXTVSFRQSXIOZ-UHFFFAOYSA-N 629.157 7.354 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)c(Cl)c1 1084553920 ZDMDSTOQPHROLB-ODLFYWEKSA-N 552.483 7.329 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1084567572 NKLAPJVOZMJBNM-UHFFFAOYSA-N 567.396 5.325 50 10 KKGE CC(=O)N/N=C(\C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1=NN(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)CC1=O 1616048489 ZGCCLTCQBANDBX-WRQBUUCKSA-N 601.834 5.562 50 10 KKGE COc1ccc(C(N[C@@H]2[C@H](COC(=O)c3ccc(C)cc3)O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1 1857783991 BWTPIFCWNCKJKX-AGXDDFAJSA-N 875.115 9.491 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683943 QYSIRSKIYPHMGF-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(Br)c1O 1865689457 SKVMFJMEZUZAGO-QFIPXVFZSA-N 547.384 5.432 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865689466 ACVJSTQEUDYJLS-AREMUKBSSA-N 527.024 6.598 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865689692 CMOFKOSXFAXKFC-DEOSSOPVSA-N 533.415 6.472 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865691621 WWNSMYNPZOCKJE-QFIPXVFZSA-N 517.468 5.796 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865694114 ULQLOFBSXNFGCF-DEOSSOPVSA-N 512.997 6.208 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865694224 WBCFHEOXDDMZNO-NRFANRHFSA-N 512.532 5.583 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865695638 FLSDWKVUTXGEJG-PMERELPUSA-N 548.687 7.093 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695951 VQOYNUCZXAOUJQ-HKBQPEDESA-N 570.649 6.662 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865696272 DBGNPTZBNMZIFD-DEOSSOPVSA-N 531.410 5.722 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697578 XDTHDQKSBJSZTB-PMERELPUSA-N 552.650 6.261 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700894 HDZKWFYJGKDDEJ-KRWDZBQOSA-N 550.638 5.537 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701276 RDMSGTHMVLNJJV-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705933 JPXWXXXKNYFJSB-QFIPXVFZSA-N 501.905 5.517 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706325 TXBPVNGCFYICJA-QFIPXVFZSA-N 501.905 5.517 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711576 BQTYTKKPPGLUKV-GDLZYMKVSA-N 528.587 6.535 50 10 KKGE CCCC[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866602003 ZJWCAMOFXPHXFP-VWLOTQADSA-N 552.766 5.976 50 10 KKGE CSCC[C@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867203013 YSIGJUSBDHBXNO-VXKWHMMOSA-N 534.545 6.029 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)n1 1868253576 MDGYIUKXOVBUIT-UHFFFAOYSA-N 517.655 5.399 50 10 KKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872744145 WYWCXTLZEPQKCN-FXEAUDGPSA-N 505.599 6.591 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(Br)c1 1872747066 MGJQIXVWDSRRHZ-UZYVYHOESA-N 514.401 6.695 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872748586 DFLMHIZAXYGHHW-FXEAUDGPSA-N 505.599 6.127 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872750867 NNZLNBUZZNHQHG-DAFNUICNSA-N 513.575 5.460 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 1872751479 JXLFRMBWTZYWIT-FLFQWRMESA-N 501.608 6.070 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873792833 ONRBZRIQPRZWES-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922883383 OOJOVTAGARQPQY-NSHDSACASA-N 533.905 6.837 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922938328 DGOJAFVECOGMHD-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cc(I)ccc1Br 1925583336 CHIVUNWHJJDKED-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(F)c1I 2030225608 FLPMIBPWFVXHFI-GFCCVEGCSA-N 504.000 6.301 50 10 KKGE Cl[C@@H](c1cc(C2CC2)c(Br)s1)c1cc(Br)ccc1I 2094674159 RSNALZDMDXIZIJ-CYBMUJFWSA-N 532.466 7.083 50 10 KKGE Clc1ccc(I)c(CC[C@@H](Br)c2ccccc2Br)c1 2113446011 CCHVNJHEBQCUHY-CQSZACIVSA-N 514.426 6.776 50 10 KKGE COCc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)s1 2142291263 JVZQTHGZWGOSFA-GFCCVEGCSA-N 536.454 6.352 50 10 KKGE Cl[C@@H](CC1CC2(CCC2)C1)c1c(Br)c(Br)cc(Br)c1Br 2206396143 SRHLXQPSNFGBJT-NSHDSACASA-N 550.354 7.987 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@H]2CCC[C@@H]2C1 2206396227 UNRFJMHCMYSIKQ-PISXGGPESA-N 550.354 7.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)c1Br 2206401328 IPHQIGDYRDXDSB-NHUJRCOKSA-N 592.789 7.465 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Cl 2225615598 JIAXKWPCVJYSMN-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE CCCCCCc1ccc([C@H](Br)c2scc(Br)c2Br)s1 2234131029 RFJLMLLKTMINOG-AWEZNQCLSA-N 501.147 7.942 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(I)cc2)c1 2263516922 JXSVJDSVXWURBM-CQSZACIVSA-N 544.850 6.495 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2csc(Br)c2Br)c1 2263518409 DKLALXMBGXXYFK-JTQLQIEISA-N 582.775 7.477 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2293189818 MZZONYIANXXTKR-UHFFFAOYSA-N 513.531 6.306 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198384 DMEKGWYSAUWVOJ-JOCHJYFZSA-N 556.844 6.307 50 10 KKGE CCCCOc1ccc(-c2cc(C(=O)NN=C(C=Cc3ccc4c(c3)OCO4)c3ccc(OC)cc3)c3ccccc3n2)cc1 2295284397 MKLYJUKXGJVEGU-UHFFFAOYSA-N 599.687 7.666 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2295669890 GTWFQPPRUOQKCQ-UHFFFAOYSA-N 536.350 6.498 50 10 KKGE N#CC(=CNc1ncc(Br)cc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2297321081 FMKONALYFJBGCG-UHFFFAOYSA-N 507.167 5.615 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505363 WGXNHRCZBYJEND-KRWDZBQOSA-N 532.095 7.040 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1 2313566820 BCLRDFILVYAMNU-UHFFFAOYSA-N 576.922 6.666 50 10 KKGE Cc1ccc(COc2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1 2313566880 CMFADGDQXYEAGO-UHFFFAOYSA-N 563.439 5.434 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 2313567494 KGXISVANWYJAOA-UHFFFAOYSA-N 501.151 5.172 50 10 KKGE C=CCN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397458 PCHBCDVASSUIOJ-UHFFFAOYSA-N 616.708 5.300 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC[C@H]3CCCO3)c2)cc1 2314478671 QMUNSNLKVBPVCK-SSEXGKCCSA-N 518.617 5.629 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 2314533339 QESXCPIFMGOQMH-UHFFFAOYSA-N 525.779 6.301 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594014 XMKVRZNUAJYGAX-DWACAAAGSA-N 509.675 6.170 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314617124 RBFVXCRGABNFIW-UHFFFAOYSA-N 506.606 5.863 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 2314617944 DLIVFRWPDXPBSI-UHFFFAOYSA-N 524.621 5.347 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640733 TWBADGDCYATTLS-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Br)ncn2C)c1Br 2315625588 OXOFKGPKYFMIPO-JTQLQIEISA-N 501.842 5.500 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccccc1I 2316178404 PAXAVTRYXBDISX-AWEZNQCLSA-N 500.037 6.552 50 10 KKGE CCN(C[C@](C)(CBr)OCc1cc(I)ccc1Cl)C(=O)OC(C)(C)C 2327242861 XHDMEUWTCFGXNI-SFHVURJKSA-N 546.671 5.872 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 2331231767 ZOSLEIIOWZVNSJ-UHFFFAOYSA-N 505.599 6.821 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1 2331464290 VPWHDUYIHDZSID-UHFFFAOYSA-N 507.703 8.341 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361179481 WHAPDWGGOMTHQW-AZUAARDMSA-N 500.221 7.680 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362239631 YPBQHSPNTCFKLN-GFCCVEGCSA-N 597.285 7.401 50 10 KKGE CCN(C[C@](C)(CI)OCCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2364693174 KNJJDDPQLDBXDM-FQEVSTJZSA-N 556.279 5.468 50 10 KKGE Clc1ccc([C@H](CI)OCc2c(Br)cccc2Br)cc1 2366182800 LTCTXWAEQNQUBV-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE CC(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 10453193 FLKNNSRJQLEDKN-UHFFFAOYSA-N 516.667 5.309 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 33570923 QHUNQVGQLVNWQO-GPSDDGMOSA-N 518.436 5.192 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(F)cc1 34377575 VWFNFEZQBSKFBB-JAIQZWGSSA-N 509.375 6.338 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38659578 RCDGZVNAFKXGIX-MHZLTWQESA-N 500.551 5.318 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 38683889 MJQIDRDIPJKSSX-GDLZYMKVSA-N 528.605 5.694 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)cc1Cl 38688403 DYGLMRIVDXOTBA-OAQYLSRUSA-N 501.391 6.281 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815423 AWUGHOVBKRLDQO-YQCHCMBFSA-N 526.036 6.160 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(Cc2cc(Cl)ccc2Cl)cs1 96022590 GTNUTVOXJFGJJE-WJDWOHSUSA-N 562.450 8.161 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 100236251 VRNYWKKCKVMEEB-PCYMAAINSA-N 580.306 6.698 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Br)cc1 100238551 KHENGLOLPMKENZ-DLOXVRGRSA-N 595.534 6.518 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@@H](CC)C2 101193883 LQUJXMUKJUYITQ-XYGUXCPDSA-N 554.024 6.807 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244502 HNWJDXDFFJKZES-IEQIIXMPSA-N 502.039 6.528 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245223 LBRJXSQRFAFDMI-KVILUOORSA-N 552.483 6.766 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101293599 QLLBEOKYHXVHOK-JGCGQSQUSA-N 544.607 6.576 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C1=O 101333573 IPGQZFITIJDDFY-LQKURTRISA-N 522.693 6.513 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101333839 KJGUVIZHSYUQMG-OGLMXYFKSA-N 563.057 6.772 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 101368800 MHPGVRIFFGCJCS-JOCHJYFZSA-N 556.210 5.658 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 101374912 VAVAXRGFNGDRJT-HKBQPEDESA-N 542.632 6.021 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1Cl 101385558 DRVHAXPKBGKEIU-SSEXGKCCSA-N 569.013 6.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387076 QALGBORQYKUNLA-LJDOSMTPSA-N 548.570 6.250 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101395722 RRRRLRHVXVELRG-WJOKGBTCSA-N 580.681 7.763 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(Br)cc1 102230199 NQSOTNFQMNAQSF-QGOAFFKASA-N 531.328 6.601 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCc1cccc2ccccc12 102934371 MVYJROIYZHHLHW-HAHDFKILSA-N 604.444 6.976 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741962 PFUDHNQDTVVLHR-GPSDDGMOSA-N 536.426 5.331 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 103929257 FIPBZAAUKFDJHJ-IKKNOINJSA-N 569.062 5.672 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2I)cc1 150386930 NGKDKPVTDDEJTD-FJLJVCJUSA-N 654.286 5.747 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433738 NQXMHEPVXACPAE-UMSFTDKQSA-N 669.561 9.026 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150572412 FQERHECVAVQCEW-XLDFTUSDSA-N 708.381 9.082 50 10 KKGE O=C(Nc1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(NC(=O)Oc6ccc([N+](=O)[O-])cc6)cc5C4=O)cc3)cc1)C2=O)Oc1ccc([N+](=O)[O-])cc1 164265014 NGPSQMSQTRAVMP-UHFFFAOYSA-N 818.711 7.917 50 10 KKGE COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 196018715 MGBFDWVTDWPAPD-AMFDIKTBSA-N 502.856 8.545 50 10 KKGE O=C(N/N=C/[C@H]1C=CC(Cl)=C[C@]1(Cl)SSc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 211661105 HYRUIRQBLFKHSR-LRGBGTSHSA-N 650.440 8.157 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)ccc1I 234805109 HRVVCUOWXNYJIT-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 238808765 AOXWVTIMEGOVNF-DDEFEJGTSA-N 763.964 7.170 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624516 CXEJHJXCKOQGRK-OQFNXARYSA-N 618.771 5.452 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254758032 JLNUUZIPFDYOBS-UHFFFAOYSA-N 528.564 5.971 50 10 KKGE COc1ccc(C=NNC(=O)[C@]2(C)CC2(Br)Br)cc1COc1c(F)c(F)c(F)c(F)c1F 254795671 XJKXLNIMZJEJMD-IBGZPJMESA-N 586.149 5.316 50 10 KKGE C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019027 HAWJBDFOEJGWTO-DJKNZSDWSA-N 520.103 5.650 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2CO[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]13)C2 256444322 RYABJKPQYNQPOE-OLNRAVHMSA-N 548.837 6.828 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 380152855 XOQOSVDRVHBLJN-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 394419009 XALJXDVDAKUKJB-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O 504746368 LBWTYBJDVVQBIH-FGGCTIIKSA-N 787.131 7.506 50 10 KKGE C[C@H](Cl)c1nc2cccc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705614945 DYGPMLHOORKWOF-FQEVSTJZSA-N 524.890 6.570 50 10 KKGE CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239110 WWLOWVWWYJCRSX-OFVILXPXSA-N 657.155 5.587 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@@H]2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725431952 VAQLZJZVGRUENW-XCDXIONXSA-N 729.292 13.315 50 10 KKGE Cc1ccccc1C(=O)Nc1cccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)c1 1081168676 DOGKYUCNVKQJAQ-UHFFFAOYSA-N 531.204 5.242 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(Cl)cc1 1083957087 XJKXBFGHDMZRDH-UHFFFAOYSA-N 552.856 6.635 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2ccccc2)c1)S(=O)(=O)c1ccccc1 1083958233 YESMYAXOBYGDIX-UHFFFAOYSA-N 591.089 5.337 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2ccccc2o1 1084049792 HABOZDOEUGBJQR-UHFFFAOYSA-N 672.260 7.138 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084075057 SDCUICIJMGREIE-MHWRWJLKSA-N 536.640 7.534 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Br)cc1 1084212879 OHMRGKMZNCFOAU-PXLXIMEGSA-N 611.334 6.055 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084283378 SRBKOLLIQRRKCS-UHFFFAOYSA-N 611.128 6.716 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(C)cc1 1084344501 VKYIZRJDQZMPQN-UHFFFAOYSA-N 546.259 6.262 50 10 KKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 1084621047 IJALMSBIEFNTDF-UHFFFAOYSA-N 528.992 5.344 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 1084632412 CEXHPWHQMYCKFY-UHFFFAOYSA-N 599.474 8.011 50 10 KKGE CSCC[C@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1614020086 KLAKFJKNMVXNLS-WYXKJYECSA-N 583.007 6.455 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748639 ZTCHEEHLXQGZFR-UHFFFAOYSA-N 585.458 5.563 50 10 KKGE CCc1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772749465 NNYYPHAPSJKVKU-UHFFFAOYSA-N 508.390 5.359 50 10 KKGE CCCCN1C[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1CO[Si](C)(C)C(C)(C)C 1848440651 RHBKPMIESGBYBM-VBWFMVIDSA-N 645.869 7.169 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686629 YDTSXVKZAHADOG-QFIPXVFZSA-N 519.388 6.081 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865692545 BZNHVNHCVFEBHH-VWLOTQADSA-N 514.988 6.398 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865696115 CMJVGLVDBBQMCI-OAQYLSRUSA-N 532.950 6.009 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697573 WXSOCCHSQYURFR-QFIPXVFZSA-N 523.431 5.272 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700979 ISUNYCILXAZQHX-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702695 ZRQFERYFWGOALH-QFIPXVFZSA-N 551.803 6.321 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704211 QCKKAYXTYLHAKZ-QHCPKHFHSA-N 547.398 5.830 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705234 PDHLPDORWKTMHW-MUUNZHRXSA-N 559.025 6.689 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706741 DQNPEWKLUUCDRR-QHCPKHFHSA-N 549.414 5.846 50 10 KKGE Cc1ccc(SCCCC(=O)N/N=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 1865762228 URANPYDKNIXEHK-NDZAJKAJSA-N 506.071 6.705 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4cc(OC)ccc43)n2)cc1 1868527957 KWTQBZRZAWVLSG-HXUWFJFHSA-N 523.662 7.198 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 1872753542 CASLGMWGVDNIHK-RFBIWTDZSA-N 504.696 8.200 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1C(C)C 1872753916 UNJIHUBVJGQWOH-GYHWCHFESA-N 501.608 6.120 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1 1872794230 QBCYKGMYRUBKAP-NLRVBDNBSA-N 514.694 9.212 50 10 KKGE Clc1cc(COc2c(Br)cc(CBr)cc2Br)c(Cl)s1 1883052535 ISHTWKGLXYZPFF-UHFFFAOYSA-N 509.872 7.054 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922940008 JXSGCBZTPQVNCN-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1923054869 LEQXKFSBDOCICJ-SECBINFHSA-N 538.324 7.482 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1Br 1924585931 RXNNUTGOSHMMND-RMUKFBLJSA-N 519.922 6.764 50 10 KKGE Fc1cc(F)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924592070 WEAIOXAZQRUPJU-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 1925596265 YCLMDMDKLNBWQV-OAHLLOKOSA-N 507.074 7.881 50 10 KKGE FC(F)(F)c1c(I)c(CBr)nn1Cc1ccc(OCC2CC2)cc1 2079243192 PCSQRWWSYJUUQU-UHFFFAOYSA-N 515.111 5.239 50 10 KKGE FC(F)(F)c1sccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2101412924 FONBFUSSVGNKOI-RXMQYKEDSA-N 519.427 7.491 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)c(F)c1Cl 2136966452 JTKMMAVENCPTCK-NSHDSACASA-N 522.352 6.470 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(F)cc1I 2137642809 MELUUTUXYXFITC-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207262269 YMRVQYZQNKZUJD-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCC2)c1ccc(Br)cc1I 2207274387 ARPFVOFLFNPMDK-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(C)c(I)c2)s1 2224630842 VFLACJSPBVALDX-ZDUSSCGKSA-N 516.036 6.054 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(C)ccc2I)s1 2232224128 VXPFJEGMKLINEH-CYBMUJFWSA-N 516.036 6.054 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2csc3c(Br)cccc23)c1 2241002144 SYBLEPCCWGEYKM-OAHLLOKOSA-N 522.043 7.061 50 10 KKGE CCc1cc([C@@H](Br)c2cccc(F)c2I)sc1Br 2255977377 ILSPJOASNLLOMG-NSHDSACASA-N 504.000 6.301 50 10 KKGE Clc1cccc([C@H](Br)c2cc(Br)ccc2Br)c1Br 2256132051 RSZQFYUOKHRNSZ-LBPRGKRZSA-N 518.268 7.112 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(Cl)cc2Cl)cc1 2294511025 VSSMMWAITSILRC-UHFFFAOYSA-N 500.407 5.957 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(C)cc1 2295163775 MYGLZFAOSMQEMZ-UHFFFAOYSA-N 503.223 7.716 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2295979427 NNXFYXBEKOYABQ-QFIPXVFZSA-N 563.293 7.365 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2297458617 LOOQDFPMLDPKQA-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2297506224 GIWNNCDMQQLMOV-UHFFFAOYSA-N 522.311 5.180 50 10 KKGE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NN=c2cc(C)c3cc4c(cc3o2)OC2(CCCCC2)CC4)c2ccccc2)cc1 2297660603 WQAUOKIUHIDWRF-HKBQPEDESA-N 585.726 5.729 50 10 KKGE CCc1nc([C@@H](Br)c2sc(Cl)cc2I)c(Br)s1 2301087745 BERODMMDVKWCPB-SSDOTTSWSA-N 527.472 6.272 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 2313518429 CBEUSCITIWVFEC-UHFFFAOYSA-N 556.254 6.653 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1 2313518843 WICNFNKUKLNCMD-UHFFFAOYSA-N 524.358 5.733 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545718 AMLZKMCQWZQAIW-UHFFFAOYSA-N 615.753 6.700 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccccc1 2313556488 ASJZXIWNGIGXQO-UHFFFAOYSA-N 544.449 6.174 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)cc1 2313565297 IRFOGQCZVOXEAY-UHFFFAOYSA-N 528.052 5.912 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567933 PWHWBBDLURBQFZ-UHFFFAOYSA-N 697.198 7.195 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1 2313568101 RISPPLNXDJJNLD-UHFFFAOYSA-N 566.883 5.946 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568822 YZLNKALSNXUQMR-UHFFFAOYSA-N 693.298 5.870 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 2314571885 NXPPVILWIHNXRE-UHFFFAOYSA-N 500.782 7.063 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591932 HYDVTCYMTNPJLY-SANMLTNESA-N 516.066 6.837 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592708 ACNTYSBNGZEEJK-HSZRJFAPSA-N 541.551 5.440 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593761 SHAFLAPCJMRCIM-HFJWLAOPSA-N 550.511 6.859 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593974 WURXMNNDKJZRQP-MHZLTWQESA-N 513.663 5.982 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634873 YEYOGRVTJMEKLO-JGCGQSQUSA-N 573.089 7.535 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646787 NYIZNYDSTISMGT-YTTGMZPUSA-N 666.759 6.035 50 10 KKGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)ccc12 2328793500 PUZLQMUMSSBALY-UHFFFAOYSA-N 511.361 5.516 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300400 AYDREGZTPWCBGW-DEOSSOPVSA-N 511.990 6.164 50 10 KKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331362599 GOBHWISJAUQMMN-UHFFFAOYSA-N 503.407 7.039 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1sc(Cl)cc1I 2338770814 MWOJYXSHWKALDZ-QMMMGPOBSA-N 501.558 6.879 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cnn(C)c1Br 2339677921 FMNAYFSUERTIQM-SECBINFHSA-N 519.832 5.639 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(Cl)c1Br 2360434083 HVPHEMYYMNXIIE-LLVKDONJSA-N 526.252 7.795 50 10 KKGE COc1c(F)cc([C@H](Br)c2ccc(Br)cc2I)cc1F 2370446997 ACZBXFVPOAEILH-ZDUSSCGKSA-N 517.933 5.825 50 10 KKGE Cc1cc(CBr)cc(C)c1OCc1ccc(I)c(Br)c1 2377285513 GWLONPWQMQUBBU-UHFFFAOYSA-N 510.007 6.144 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCCC(C)C 34983915 DNGCMVAOZQGSOS-HKOYGPOVSA-N 515.617 6.986 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518254 WHTMGTNKHRHXCO-MHWRWJLKSA-N 501.907 6.802 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812175 OWXLUGZAMOEMSJ-ZSRJEKJFSA-N 504.518 5.087 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 40864606 RINLWMIBYZZHBM-MSKUYSOUSA-N 514.965 6.333 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59148305 VFSRQZDPRUQDOE-RHOVZLRLSA-N 505.643 5.965 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100185833 HOFOKNSZHUXOLU-UHFFFAOYSA-N 538.442 5.735 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 100234681 FAYSYBUYAOWLMB-ZZJXEYPFSA-N 580.306 6.698 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100335484 XNQUVHWIGSAHPR-DJKKODMXSA-N 607.275 7.348 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OC)c(I)c2)cc1 100968690 RVPOMKJLEMGZSK-GKVFSHECSA-N 596.469 5.067 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246285 LHHYRXBVEGJTPF-IEQIIXMPSA-N 551.590 6.478 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101333378 HEUNEABXWFMPCN-XLKFHUSGSA-N 520.633 5.954 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101374834 SZJPNFYKKIIRDG-WJOKGBTCSA-N 554.687 7.245 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 101377902 VYNAPCMMXKPRBZ-PMERELPUSA-N 547.051 6.892 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382685 KWGUPIXHVYGTIA-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCC(C)C 101395477 QBBFZUAMGDVEBF-RUZDIDTESA-N 595.504 7.689 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 103706751 VNAOBMGUVVVJHZ-WKULSOCRSA-N 548.690 5.269 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(I)c1 103725178 FGNNWKQREBYTMC-WGOQTCKBSA-N 503.384 5.552 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1F 150443296 WAYIUGQGFBEAPJ-YTTGMZPUSA-N 669.503 8.058 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150443390 BPQFFRXCTPAIBM-PMERELPUSA-N 627.093 8.109 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150481712 HVTVVXIEFZPZMX-QFIPXVFZSA-N 656.777 8.725 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 150486330 USSQQSWJVIKNGA-XIFFEERXSA-N 645.539 8.197 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 163794390 HQVSILRVAXSXGF-ODNPBWNPSA-N 755.369 8.144 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 169682094 VOXJHJRLIGNTTG-JHYYXSPOSA-N 644.722 9.986 50 10 KKGE Cn1c(O[Si](C)(C)C(C)(C)C)cc2cc(SSC(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 201280805 GRZRMYLQJFCMHQ-UHFFFAOYSA-N 567.896 10.295 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 203470149 FTRFFKXXDNVYPZ-UHULTCERSA-N 878.936 6.067 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214311679 PLAIUCCWLUVSKI-CLYXNRFPSA-N 527.584 5.050 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2CN(Cc2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]2CCCC[C@H]2N)c1 215765986 JGZZEPZYYHSWHV-DJBVYZKNSA-N 775.014 9.942 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 231223095 PPFHNIVPOLWPCF-ALGQRKQJSA-N 541.071 6.075 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cc(Br)cc(Br)c1O 252590843 AVYULMIBNBYOQC-CYBMUJFWSA-N 628.778 5.591 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254304996 YJJWVAYQRWBNKF-VWLOTQADSA-N 598.732 7.456 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC/C=C\c1ccccc1)c1cc(Br)ccc1O 254500488 XWMIEYXIZHMGFQ-BFJMSLIFSA-N 530.216 5.773 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)cc(Cl)c1O 254737932 XUSAZYBIXDKHDA-MRXNPFEDSA-N 571.490 5.531 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254792386 XRLNJFZATSWJPQ-UHFFFAOYSA-N 587.894 8.268 50 10 KKGE Cl[P@@]1(Br)=NP(Br)(Br)=N[P@](Cl)(Br)=N1 263632979 NIKBNUOAHYXLKX-TXEJJXNPSA-N 525.465 7.896 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C 504122202 LIPONQAUUSXPAR-KCSJKLDESA-N 508.763 6.766 50 10 KKGE CC(=O)O[C@]1(C(=O)C(Br)Br)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C 504332817 FXRCFNRZJNQXRW-ZJSAKBDPSA-N 516.270 5.115 50 10 KKGE CC[C@H](C[C@](C)(C[C@H](C)c1ccccc1)C(=O)OCCOC(=O)C(C)(C)[C@H](C[C@H](C[C@H](C)c1ccc(CCl)cc1)c1ccccc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 575409256 QTLYZIRMVXHXBE-IVFKKUFSSA-N 896.480 15.251 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2I)c(F)c1Br 691638083 YFYSVIVVINFZNB-NSHDSACASA-N 566.803 6.579 50 10 KKGE Cl[C@@H](Cc1cccc(Br)c1)c1ccc(I)c(Br)c1 721571263 DTSFMLDGWOFBTO-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(SC)cc3)o2)cc1 725442345 ATKGUPZVGJJCAF-UHFFFAOYSA-N 591.711 5.499 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OC 1084051081 QQLBHLHHYPPXCF-UHFFFAOYSA-N 511.578 5.167 50 10 KKGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc3ccccc23)cc1 1084118429 FMXNJVFEFGIILZ-UHFFFAOYSA-N 618.542 7.071 50 10 KKGE O=C(CSCc1ccccc1Br)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1084288644 VAOSQZQONCHSHZ-UHFFFAOYSA-N 519.464 6.565 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084295537 OVEDVVSWMYNRMG-HSZRJFAPSA-N 618.269 5.468 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084420408 WSNOLABXWWZICK-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc(Br)cc2)cc1I 1084631272 KQMPJWQQTWKAEM-UHFFFAOYSA-N 560.189 5.268 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(=O)OCC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773617 JYUVYDXFZCBMDX-OUFYTYPBSA-N 661.129 10.545 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 1772720441 OGZLVLAQUXNARC-UHFFFAOYSA-N 710.740 5.320 50 10 KKGE C[C@H](CCCO[S@](=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]21C 1848432749 WSBINBUDUYSHJN-ZEDZVERVSA-N 599.010 10.112 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682143 HGNHGBWRGBTMFU-MHZLTWQESA-N 519.004 6.632 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690263 NAKBLHAQVZPHDU-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865693019 HHDFTFZVVWSHJX-QHCPKHFHSA-N 513.395 5.919 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865694190 VILHRDXMTDBGFP-MHZLTWQESA-N 514.585 6.318 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696543 HDZZSNCHNJQARX-LJAQVGFWSA-N 555.078 6.717 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704862 GKRRJGVHNCGXCL-HHHXNRCGSA-N 579.443 7.283 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704863 GKRRJGVHNCGXCL-MHZLTWQESA-N 579.443 7.283 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705547 YTSLCQUULAGYEL-LJAQVGFWSA-N 548.643 5.947 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865707517 YNIWYPUEQGJREM-YTTGMZPUSA-N 567.693 7.101 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713281 VPJRQKXMCJFRPQ-QHCPKHFHSA-N 513.395 5.837 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867124263 DNZQMLNBLURPJJ-VWLOTQADSA-N 524.111 6.293 50 10 KKGE CC[C@@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128845 UKJFYRPEQLVRGZ-UQBPGWFLSA-N 584.511 6.420 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231313 BYSBVBKGRPHFHG-MHZLTWQESA-N 503.672 6.694 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CCS2)cc1 1868320604 LWCDPPKQSRDSOC-AREMUKBSSA-N 525.703 7.072 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433761 QSJIGXHFQNWRMZ-DEOSSOPVSA-N 500.027 6.692 50 10 KKGE CCc1cccc(CC)c1N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(C)cc4)cs3)cc2C1=O 1872749375 OMMQRQCNWOKRKO-FVDSYPCUSA-N 519.626 6.994 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 1873793449 LOZCRIJWUVOBJM-KQBIVOJMSA-N 502.011 5.167 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)c1ncc(I)cc1Br 1882958321 HMABCZUYRDIBEB-LLVKDONJSA-N 510.011 5.239 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2sccc2I)c1Br 1924580900 WDHFUGGUGAZYOQ-YFKPBYRVSA-N 621.777 7.186 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)s1 1924586464 YDTNJEUDFKIWSN-RXMQYKEDSA-N 564.771 7.888 50 10 KKGE Cc1nc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 1980604343 FSJGRWABYCYROH-LURJTMIESA-N 510.896 6.285 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2025784085 SDEGCLGFZQFCHU-IKMPGZOFSA-N 619.609 7.346 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2036568974 RNZMISNMSOPMCK-SECBINFHSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC2CC3(CCC3)C2)c1Br 2037982942 SOXDEMVZWMVQQV-QMMMGPOBSA-N 521.938 7.442 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 2072301189 UPTHMBQYGRUYSQ-LURJTMIESA-N 542.316 6.215 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(Br)cc1Br 2083331528 ABZAIFBWADJRGC-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE CCc1nc([C@H](Br)c2ccc(Br)cc2Br)c(Br)s1 2083333488 NXFHWTWJFRIYBA-SNVBAGLBSA-N 518.894 6.477 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1csc(I)c1 2083450758 QPMPWZKQVVRAPL-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC23CCC3)c1Br 2085499389 HQOGNMYKHHSGFN-LDWIPMOCSA-N 566.751 7.363 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085499501 IYNYUUKZEQCXJJ-SVRRBLITSA-N 568.767 7.609 50 10 KKGE FC1(F)CCC[C@@H]2[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2114391489 GNRKRJMZABAKGS-IXROVEORSA-N 543.891 7.153 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)n(C)n2)c1Br 2136374385 LKNNKYJPOFYIAK-CYBMUJFWSA-N 515.869 5.809 50 10 KKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2141469228 SZSKLKGGQCHHPS-BXPKGIBSSA-N 582.750 6.598 50 10 KKGE Cl[C@H](CC1C[C@H]2C[C@@H]2C1)c1c(Br)c(Br)cc(Br)c1Br 2141469311 UOZOABLSVJKWKH-DKCNOQQISA-N 536.327 7.453 50 10 KKGE Cc1cc([C@H](Br)c2cc(F)c(Br)cc2F)ccc1I 2142140936 OWZLQEBGVCLPLJ-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2142287880 HAQWYBHWTFJEAO-CQSZACIVSA-N 579.295 7.215 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccsc2S(C)(=O)=O)c1Br 2203687078 WCOJOWDRMGZDFL-LBPRGKRZSA-N 503.075 5.469 50 10 KKGE Fc1ccc(F)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397850 NLZNXEAMWZVYOW-ZDUSSCGKSA-N 554.248 7.343 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3ccc(Br)cc3I)ccc2O1 2207273066 REQJIQWXRBFMKN-XXFAHNHDSA-N 507.991 5.861 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@]12C[C@H]1CN(Cc1ccccc1)C2 2234069960 UCRQTADBPUWYDD-BTYIYWSLSA-N 509.673 5.574 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2272851867 BLHOKVJKISFIQU-VIFPVBQESA-N 523.795 5.470 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1Cl 2283558224 AJYKOSDWPFNACJ-GFCCVEGCSA-N 548.294 7.120 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 2293972380 JAKDRLRQJVYLIC-UHFFFAOYSA-N 541.655 5.677 50 10 KKGE COc1c(Br)cc([C@H](Br)c2csc(I)c2)c(OC)c1C 2295432602 JRPCJNGIFMRQHE-GFCCVEGCSA-N 532.035 5.925 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2295489458 CZWRXFNKOVIGNH-UHFFFAOYSA-N 601.490 6.200 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507074 RQZXUCJMHXWMLV-OAQYLSRUSA-N 573.299 6.821 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)ccc1OCCC(C)C 2296539135 DSYZRQGQJCGFNP-UHFFFAOYSA-N 504.659 7.947 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2296541937 QXQGODTUZFGHCV-UHFFFAOYSA-N 564.461 5.885 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C(=O)OC)c1C 2296790252 ZSFZGVCWDULQSV-UHFFFAOYSA-N 522.435 6.427 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 2297458701 XAVPTGIQKKLDFH-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299491934 GYOZCZDWUICMLK-MRXNPFEDSA-N 551.525 7.990 50 10 KKGE Brc1ccccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498778 VXXFVDFOHZEHFE-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 2313518129 LNPGKXBWOURZLA-UHFFFAOYSA-N 519.439 6.898 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1 2313518780 SKIDHVRRDSIBQJ-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2314452698 PJUDRZRYENOCSK-HXUWFJFHSA-N 576.041 7.256 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592015 JVSXCPQHTOZJLS-DEOSSOPVSA-N 520.010 5.422 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 2314617324 VYYUVZALLHPTHE-UHFFFAOYSA-N 619.747 5.405 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314617996 FLZIGPLIGYYJGV-UHFFFAOYSA-N 616.677 7.657 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643418 XUQRGXWZPOZPAV-DHUJRADRSA-N 621.133 8.062 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 2314755022 NXJQCOAJUMCBSC-UHFFFAOYSA-N 504.608 6.243 50 10 KKGE CCOc1c(Br)cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OC 2314760166 IWVAMRZHXWTFHV-UHFFFAOYSA-N 551.393 5.292 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663728 FEBCFULFZIKHOT-UHFFFAOYSA-N 523.452 7.023 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3C2=O)c1 2331295815 HIWMTTCVIHMJBE-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1C 2331382567 HDQFBIMRMLAILM-UHFFFAOYSA-N 515.638 7.887 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331391789 FLGDETKOSYIGBH-UHFFFAOYSA-N 508.814 6.310 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc(Br)c1O 2331463397 CQIWFDVDCSBNDR-UHFFFAOYSA-N 513.457 7.182 50 10 KKGE Cc1cc(I)c(Oc2ccc(Br)cc2CBr)cc1Cl 2336543884 OXUCMQLPOPTKHR-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364049051 AXKUCCZPNXJMOO-SECBINFHSA-N 507.835 5.745 50 10 KKGE COc1ccc(C[C@@H](Cl)c2sc(Br)c(C)c2Br)c(Br)c1 2364261397 PLAXRLRAGZPZRL-LLVKDONJSA-N 503.481 6.875 50 10 KKGE C[C@@H]1CCCC[C@@]12[C@@H](Oc1cc(Br)cc(I)c1)C[C@H]2Br 2364267207 HIEOTFCZAASNSW-HGGPSHQYSA-N 514.039 6.165 50 10 KKGE O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Br)cc1F 3035262 BZWUXMOLOPCGPH-NRFANRHFSA-N 516.238 6.004 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 12490324 QYNXFPVTXMMOIY-ZDUSSCGKSA-N 518.235 5.181 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)[C@@H](CC)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14768822 WWMHTAKZZKEHJG-HSZRJFAPSA-N 511.416 5.062 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1nc2ccccc2[nH]1 33385776 KFZWRDLZAQFYPF-MOHJPFBDSA-N 511.560 7.198 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38660295 BHINVHKJZYARJT-MHZLTWQESA-N 502.542 5.841 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686550 YFCMIGHCVFVAOH-MUUNZHRXSA-N 519.513 5.611 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 58892041 UFRRMQNSKNVCTH-APTYXWLQSA-N 527.448 6.273 50 10 KKGE Cc1cc(Br)c(C(C)C)c(OCC(=O)N/N=C2\C(=O)Nc3c(C)cc(Br)cc32)c1Br 97997075 WIFJLWHXUNBADU-UHFFFAOYSA-N 602.121 5.566 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Br)cc2)/C(=C\c2ccc(Br)cc2)C1 98064672 QQSDYDQAVZTFIJ-KGGGBHMPSA-N 513.233 5.302 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100188308 VQSWWXKSXJQRIT-UHFFFAOYSA-N 556.295 5.528 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1 100235671 QJYPHYMPJJMJIU-DOCWCXJCSA-N 559.888 6.353 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242230 LJEKPLOOTBCMIU-MZOFLMDJSA-N 574.024 6.818 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244624 LZRHLPULRXZNOJ-YDYXIROLSA-N 523.536 5.779 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245570 GIJVMSZRQNIVJA-HFVAWESISA-N 560.517 6.946 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101335168 AZGSHTNURPYRPS-ZMOGYAJESA-N 503.385 6.365 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 101340296 VFRUHQPKXAVUCG-HZHRSRAPSA-N 517.379 5.553 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368438 INIWXRMLUHMIHM-ROTAYESASA-N 556.659 6.274 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 101368696 VRKWZXXEZHNTAP-MHZLTWQESA-N 530.577 5.329 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385348 XWUJCCQQZQMCHZ-XIFFEERXSA-N 576.649 6.807 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101391393 NBFLEYUPEUJQJP-NRFANRHFSA-N 537.822 6.755 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101397273 YQMMGODWLSWVAY-VWLOTQADSA-N 579.505 8.214 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)cc(C)c4c3C)ccc21 101397353 CXEJYWVKHDYEKT-PMERELPUSA-N 536.628 7.364 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397639 VBSBFBZVWIQCHW-PMERELPUSA-N 576.992 6.463 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610030 TYWATMWIIOIERV-PPFNPFNJSA-N 534.641 6.439 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc(C)c1Cl 101615218 GRXDOLFTGSCNJT-IURWMYGYSA-N 542.835 6.067 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC 101712114 YARPOPQMUMEIJC-AFUMVMLFSA-N 542.268 5.708 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OC(=O)c1ccccc1 102933119 BLEQFWDISGFENE-SXGWCWSVSA-N 601.207 5.893 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 102964648 MDLFPJQFFDLLBE-RGEXLXHISA-N 553.644 5.141 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 103741906 VOJQYIPBQUIWAV-CHTIKVTKSA-N 546.490 5.543 50 10 KKGE COC(=O)c1c(NC(=O)CCCCCCCC(=O)Nc2sc(/C(C)=C\C#N)c(C)c2C(=O)OC)sc(/C(C)=C\C#N)c1C 105620281 BNLBSYCSNDPMNQ-DJTQBEGKSA-N 624.785 7.161 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(Br)ccc1Br 128844567 QWHDNNYNTQBCGZ-JTQLQIEISA-N 524.297 7.126 50 10 KKGE CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccccc1I 150363420 QFXJFSUPPRPNRB-SANMLTNESA-N 695.608 5.691 50 10 KKGE C[C@H](O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754048 KFUWLVZCEDFJIK-YDFNBOIOSA-N 553.065 9.080 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 205657990 PGCLKSDZCZDVGH-WSRWFZTPSA-N 580.725 7.645 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 214370986 ZJFRBUPQSSDXQZ-LQNQUEJISA-N 602.735 6.192 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214427760 FVBDVVNZPDMYSQ-ONUIUJJFSA-N 540.645 5.197 50 10 KKGE Fc1cc(Br)ccc1COc1c(Br)cc(CBr)cc1Br 236142670 GWFHKAIAJRVNPZ-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)COc1cc(C)c(Br)cc1C(C)C 252621744 NFWJVOKARULQBZ-UHFFFAOYSA-N 512.242 5.571 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=C/C(Br)=C\c2ccccc2)nc2ccccc2c1=O 254288872 BRVNUWQRHVRAEY-JNPMRXGKSA-N 533.451 5.324 50 10 KKGE Clc1ccc(Br)c(COc2c(Br)cc(CBr)cc2Br)c1 313088115 XSGMMXBLBXDDJV-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Fc1ccc(Oc2c(I)cc(Cl)cc2I)c(CCl)c1 388242958 WYEIMUGXVOBESO-UHFFFAOYSA-N 522.910 6.219 50 10 KKGE Br[C@H]1CC[C@@H](Br)[C@H](Br)CCC[C@H](Br)[C@H](Br)C[C@@H]1Br 585669572 JTNIFONMLVMYNH-OWSRUXPGSA-N 641.700 6.922 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1C 721608191 FBMKGCCRJXGANP-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE CC(C)C(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@@H](CO[P@](=O)(Cl)N(C)C)O3)c2n1 725326456 WAHZVPMCAUKPIH-AGHVNDFZSA-N 853.317 8.067 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725394762 ACUGPKLWSRRAIM-MENXEMIHSA-N 570.712 7.365 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(C)cc4)S(=O)(=O)c4ccc(C)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725431530 OUXFNRPGKWUEEO-JRJABSJZSA-N 662.812 6.652 50 10 KKGE COc1ccc(N2C(=O)[C@H](O[C@]3(C)C[C@@H]4[C@@H](C[C@H]3Br)C4(C)C)[C@H]2C#Cc2ccccc2)cc1 1082836681 DQUSZKHWPBFKMI-HUZYSJDMSA-N 508.456 5.436 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 1083851499 JKLSRABJAIIJOJ-UHFFFAOYSA-N 546.190 6.440 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 1083963626 KLEGUHOCBXDSSF-QHCPKHFHSA-N 545.419 5.664 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084128488 NHILGEAIRDIRKI-UHFFFAOYSA-N 534.366 6.175 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1F 1084184193 BCUORKMYHKWZOM-CXUHLZMHSA-N 505.760 6.919 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 1084229936 XUXRTKWLWLSKND-HXUWFJFHSA-N 550.793 5.633 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc(Cl)ccc2C)cc1 1084238715 QQVGAMYESGUBSM-UHFFFAOYSA-N 567.023 5.471 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)S(=O)(=O)c2ccc(F)cc2)cc1 1084319467 COUNLHXZIHPCKO-UHFFFAOYSA-N 560.434 6.047 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4ccc(Br)c(C)c4)c3C)sc3c2CCCC3)cc1 1084345279 FNXSPHYVJGVDRZ-UHFFFAOYSA-N 618.601 7.822 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084346771 BOPZHJXOUVNMIL-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 1084423173 RHQBOEJYJUXYPA-QHCPKHFHSA-N 558.416 5.151 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1084427231 ZXOVFOQJDMEIQB-UHFFFAOYSA-N 599.757 5.053 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 1084622472 HJIDJFITYUQHGI-CAOOACKPSA-N 550.667 7.842 50 10 KKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)c(C)c32)c1 1772744709 GSWHDTPYPMPJBE-UHFFFAOYSA-N 528.008 7.065 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747611 NDIUZZYCZDTJSN-UHFFFAOYSA-N 516.337 5.422 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772749076 WKKUDBKDEVCIMY-UHFFFAOYSA-N 500.382 6.016 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751654 VUQCAHHTAMWENT-UHFFFAOYSA-N 507.377 6.166 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1OC 1772752189 YASQJHSZCFTATE-UHFFFAOYSA-N 557.647 5.340 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686312 UNGFQKUHERXZCB-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865688343 PSFXOEZBHYGLFP-MHZLTWQESA-N 502.549 6.117 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865692042 HVABNNOVMGKIRX-DEOSSOPVSA-N 551.485 5.889 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865693257 MPCJGGDJYKQMES-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OC 1865697001 MVKHNRLJJQUTHL-SSEXGKCCSA-N 564.686 6.630 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1cc(Br)ccc1O 1865697082 WMRDTPAOTOHNHJ-INIZCTEOSA-N 525.712 5.290 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865697173 OOVCHKMJEOUFDM-MHZLTWQESA-N 524.596 6.143 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698483 VBZFPPQEMFEPBA-QHCPKHFHSA-N 555.448 5.799 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865703263 RVEOVZPVWSPHDA-YTTGMZPUSA-N 568.677 7.352 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865704084 MRGHLMHMUPWLTB-NRFANRHFSA-N 523.902 5.737 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705790 GCHPOQNYDAQBFD-JOCHJYFZSA-N 568.804 6.634 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705951 KKAJHGYFAQCNQE-MHZLTWQESA-N 524.596 5.747 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707354 VETRYWGFRRSQDH-HSZRJFAPSA-N 532.959 5.332 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712425 YBIJGMMLPHBLPE-QHCPKHFHSA-N 520.486 5.886 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Br)cc1 1866130294 MTTYSKRYXQQLPE-GZTJUZNOSA-N 541.423 5.836 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1C 1868414077 HXTLWDRLVVEVSL-RUZDIDTESA-N 556.091 7.283 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CC2)c1 1868506580 ZLNFTMNWJSTHBZ-UHFFFAOYSA-N 552.704 5.842 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1c(Cl)cccc1Cl 1872729241 WXKBPDJSEUYUFZ-CXUHLZMHSA-N 513.333 6.325 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1OC 1872751759 DYVFQGNHIGPBLE-PMHNHTQJSA-N 517.651 5.835 50 10 KKGE Cc1cccc(Oc2c(I)cc(Cl)cc2I)c1CBr 1887334308 NWLCTNULENHXDI-UHFFFAOYSA-N 563.398 6.545 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2scc(Br)c2Br)s1 1901025571 HSQYQHHTHLRKLG-SSDOTTSWSA-N 532.875 6.921 50 10 KKGE Cc1ccsc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496099 UVORKLLTQSZCQF-LLVKDONJSA-N 582.775 7.591 50 10 KKGE C[C@@H]1OCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496479 RCCAWMSAAHRXQT-MQNJHXBQSA-N 526.288 6.442 50 10 KKGE CC(C)[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2098113562 IQCNETUNGLPXPS-LJQANCHMSA-N 500.706 6.344 50 10 KKGE Clc1cc([C@H](Br)Cc2ccccc2I)c(Cl)c(Cl)c1Cl 2143867954 IQFCTFBEUGMBKE-SECBINFHSA-N 524.838 7.584 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1Br 2206393936 CTGONWPMKONINB-WQRVWIMNSA-N 598.749 5.834 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2218967010 BJMISTJNTKREHN-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2224309214 AJXJQGQSIBIFHY-QMMMGPOBSA-N 512.254 6.390 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)s1 2233008845 KMEDCRGZMBDJOS-CYBMUJFWSA-N 506.030 6.633 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)c(C)c1Br 2235597710 DNEIKGYXBZXYAV-AWEZNQCLSA-N 545.960 7.754 50 10 KKGE COc1ccc(Br)c2c1nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2258206233 CFVSWZBDNINUNN-UHFFFAOYSA-N 512.879 6.639 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1I 2269551804 KOTRZJBSYYQAGR-CQSZACIVSA-N 563.398 6.042 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)=Cc1ccco1 2293556312 WKYHDFRAUHVJKA-UHFFFAOYSA-N 512.422 6.132 50 10 KKGE COc1cc(C)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2295292218 PFMKIPDKLUTUFS-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12 2295523582 WKXMDKURZGEARE-UHFFFAOYSA-N 626.713 6.445 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2ccccc21 2297469383 GUDSLLNFEFWKMX-UHFFFAOYSA-N 548.672 5.665 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2ccc(Br)cc2Br)s1 2301087196 VQFPVMOATPSTES-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518757 RIYXDXYHLJXIOJ-UHFFFAOYSA-N 607.275 7.430 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556279 UJEHQDNHPPEVKN-UHFFFAOYSA-N 660.737 7.033 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568307 UGCIYJRAENOWLD-UHFFFAOYSA-N 709.753 6.384 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314620208 MMZJJOQSIJMAMP-HXUWFJFHSA-N 544.586 5.794 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643234 KGOVJHHPUYKLPT-XIFFEERXSA-N 597.042 7.294 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2314735357 RINLWMIBYZZHBM-UHFFFAOYSA-N 514.965 6.333 50 10 KKGE N#CC(=Cc1cccc(Cl)c1)C(=O)Nc1c(Br)cc(Br)cc1Br 2329685249 QUNIBTZJEWTWMH-UHFFFAOYSA-N 519.418 6.173 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699529 QLBGBPHVAJTOKG-UHFFFAOYSA-N 515.816 6.553 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3Cl)nc(O)c2cc1OC 2331044387 BHFNPWYBUPBMOG-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331254769 YKLITGSQZJCPTD-LRTDBIEQSA-N 512.418 6.620 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1 2331312451 XDPNMHYNTQIAOR-UHFFFAOYSA-N 501.611 7.578 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(Br)c1 2331351964 QEMVSZFTZISJQK-UHFFFAOYSA-N 505.384 7.065 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373214 MYSIIALQOZHRHF-MRXNPFEDSA-N 510.015 5.943 50 10 KKGE BrCC1(COCc2cc(I)ccc2Br)CCCCC1 2341550474 SLBFLSGDEIDELI-UHFFFAOYSA-N 502.028 5.916 50 10 KKGE FC(F)(F)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCCCC1 2361201814 WGOVNFAYCXNKAJ-LJQANCHMSA-N 506.200 7.977 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362228254 BWKXXFBMKZSSAM-SNVBAGLBSA-N 509.797 7.281 50 10 KKGE Cc1cccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 3658278 NQXFIHVCSQSZKM-ZCTHSVRISA-N 548.064 5.573 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C(/S)NC(=O)/C=C\c3cccs3)cc2)cc1 33723204 WKRCHMIFBIWHCX-PFONDFGASA-N 506.653 5.058 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 35004952 WTVJUKKJMOETQD-MOSHPQCFSA-N 503.389 6.459 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 38686346 LGPGNOXOJHIRTF-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)c1 38701281 YPTNZSIMZVLBEF-UQIPPQJZSA-N 502.655 6.986 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 58887364 RHHNDKCPUDHLBN-TYNJROEQSA-N 511.416 5.391 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1 100288103 VDLAPMCNAZCOBE-CYBMUJFWSA-N 545.261 5.215 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1 100328639 CFVIJXGRSXMCCO-LGJNPRDNSA-N 548.231 5.328 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244259 RCEOSUWHCUFDEN-OSNVHYDOSA-N 549.618 6.626 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 101340510 BHOFAYRGDLCRLS-LQKURTRISA-N 532.575 5.788 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(F)cc5)ccc43)cc2)cc1 101378738 MNMUEFCIHANPKI-UKPGIYTDSA-N 550.586 6.304 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380385 DXBNLRRYAHIGQS-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384096 MDKVLVAEMRWIMA-SSEXGKCCSA-N 591.422 6.914 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1 101386008 CLHAEPJSWIVMCV-PMERELPUSA-N 569.013 6.374 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1F 101386586 BAMTVHWYBYXGPY-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388421 MPUKAFFMUZTNSP-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)o1 101392671 JLJMSLDMNMRWFY-LJQANCHMSA-N 531.804 7.200 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 101393545 PNQZPNDJXCRVHF-JOCHJYFZSA-N 567.848 6.763 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 102131027 FLXLNVYEXLGAQY-OFWBYEQRSA-N 594.512 9.273 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 104602115 IBCHLUOVPNWRIU-ZHZULCJRSA-N 537.975 5.840 50 10 KKGE CCOc1cc(/C=N\NC(=O)CCCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 150442377 MYOUDMINVHHBKH-XKLJWPJGSA-N 664.715 5.693 50 10 KKGE N#Cc1ccccc1COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 150566289 AVYPIUGNYVDWKI-XKJRVUDJSA-N 726.106 6.619 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 161120833 VOYRHSOJYIPXLS-CQSZACIVSA-N 503.843 7.011 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 164635914 NWGMGELBOFWFRR-IPBVOBEMSA-N 651.105 6.761 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214408086 QLNGZCBHKPKPPO-FSGOGVSDSA-N 576.697 7.363 50 10 KKGE Brc1cc([C@@H](Br)c2sccc2I)sc1Br 306520879 LOPMVRONFUEWPK-SSDOTTSWSA-N 542.881 6.424 50 10 KKGE CC1(C)[C@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 310439214 VSNCAQTVWJHZLH-NXEZZACHSA-N 541.392 5.490 50 10 KKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(I)cc1Br 383570709 ZNIOEVDBIXNLER-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Clc1cc([C@@H](Br)c2cccc(I)c2)c(Cl)c(Cl)c1Cl 404891525 XAZAVDAYGIFUER-JTQLQIEISA-N 510.811 7.389 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 585656870 KJQBYYOIBJFCTD-UHFFFAOYSA-N 500.624 5.197 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 719579199 YJZVYWJYLUKZPZ-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE CC(C)(/C=C(\C#N)C(=O)[C@@H]1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 725325638 PFKDYMWOJYZRBD-KTTVMQKKSA-N 664.786 5.552 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F 725386977 FBGBZVILWNCVHQ-UHFFFAOYSA-N 637.511 7.150 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083805617 AQLURWHBCUUICR-XYVZISDCSA-N 710.852 7.267 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)c1 1083873419 OUNFQMOZUMTBMO-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1083906102 BTUKIMVVJYJDBC-UHFFFAOYSA-N 656.480 7.308 50 10 KKGE CC(=O)c1nn(-c2ccc(Cl)cc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(C)=O)nn2-c2ccc(Cl)cc2)s1 1083976968 JRYAJNWXVGLXIP-UHFFFAOYSA-N 721.742 9.157 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3ccc(I)cc3)ccc3ccccc23)cc1 1084059848 CNHRWCPEWAPJST-UHFFFAOYSA-N 550.396 6.186 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084198634 IZLKYFJQGYRGSA-UHFFFAOYSA-N 650.223 6.060 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Br)cc1 1084267585 LANKOFLALRAJLR-UHFFFAOYSA-N 519.395 6.275 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 1084311937 ZLZIVLIPKMMAQE-UHFFFAOYSA-N 576.878 7.599 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 1084369327 BQWXTKRNTJCLAB-JOCHJYFZSA-N 536.253 6.299 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084497033 KHFNLBLXLAOXDY-MHWRWJLKSA-N 581.091 7.643 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084559944 DXNRUTDBKTWOFQ-UHFFFAOYSA-N 680.010 6.426 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)cc1 1084623186 SPDCJVGLBPFIBC-UHFFFAOYSA-N 535.647 7.949 50 10 KKGE C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718603 JNVFBVHUOARHPP-SFHVURJKSA-N 620.740 5.334 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccccn3)CCC4)ccc21 1772747046 KWOVFZBGOXYSML-UHFFFAOYSA-N 505.578 5.834 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)ccc1OCCc1ccccc1 1772753599 RZHFWRXIDSFQTN-UHFFFAOYSA-N 511.416 5.225 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 1772754298 VRSZADOYVRHFNB-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1772754887 DBKUDLBEAKLARZ-UHFFFAOYSA-N 572.937 7.047 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683312 IPOMCTRWSPAXOX-MUUNZHRXSA-N 513.601 5.985 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865683777 PIQFVLROKWKBHB-QHCPKHFHSA-N 504.924 5.757 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1c(F)cccc1Cl 1865684875 AWXSKELGEUGPGW-AWEZNQCLSA-N 513.676 5.664 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865687542 UMZOKLUCESVHBD-JOCHJYFZSA-N 512.532 5.746 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687985 GECFJXVNUCYDGF-LJAQVGFWSA-N 520.633 5.732 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865688465 SJILDRZBPXFSGT-OAQYLSRUSA-N 528.893 6.123 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OCC 1865689144 LEYHMUZQWLCHEA-PMERELPUSA-N 558.638 6.717 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693736 QSKNQEZVOIUXFA-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)c1O 1865696167 KOGFAXTVVRDRBZ-JOCHJYFZSA-N 529.394 5.293 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865696426 MGMNAWKNHRWPNB-JOCHJYFZSA-N 515.367 5.234 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705074 LHGLNBVOZLWBSS-GDLZYMKVSA-N 554.606 6.294 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705795 GEGKNVPVDIQHCQ-QFIPXVFZSA-N 578.810 6.090 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706496 XYKXNCVXDRQGFT-HHHXNRCGSA-N 506.606 5.857 50 10 KKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)[C@H](Cc1ccccc1)c1ccccc1 1865759829 ULLBFPAXJYKZIC-XMMPIXPASA-N 504.417 6.151 50 10 KKGE CC/C(=C\C(=O)N[C@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115727 MLQLRVQQGQBOIQ-KROBSHITSA-N 516.461 5.748 50 10 KKGE Cc1cc2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867170477 BTFJGISFUPGGGV-XMMPIXPASA-N 542.690 5.159 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3C2=O)c1 1872748075 HIWMTTCVIHMJBE-LVWGJNHUSA-N 511.990 6.831 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 1872752959 BEIFFMPPJYJJRB-RPHWMWBOSA-N 504.696 8.543 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 1872753767 LXVPECWYYZXWSE-HMWBEYIWSA-N 517.607 5.458 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1cccc(Cl)c1 1873499182 IRTUCSTVGLMMEU-LDWYRGJHSA-N 502.011 5.025 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2sccc2I)c1 1899859603 ZPEBOFIRJOQIME-QGZVFWFLSA-N 564.080 7.179 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915271121 UTFBUPWVRDVVDH-CQSZACIVSA-N 524.116 6.335 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1I 1916383756 OWGSCFBLENAOMB-OAHLLOKOSA-N 567.059 5.106 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2O3)c1Br 1924605196 NTXYCZLLPXXVND-UAKXSSHOSA-N 509.883 6.039 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cccc3c2CCCC3)c1Br 1924615859 HIIDHIZNCSULRU-LBPRGKRZSA-N 543.944 7.399 50 10 KKGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(I)c(Br)c1 1926758823 WWOHSWIBCFZTPV-LBPRGKRZSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)cc1Br 2032958988 QEYRGXGGDHEHBN-NSHDSACASA-N 538.324 7.435 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)n(C2CC2)c1)Cc1ccccc1 2059312848 QCMWHYQQOUAJAU-UHFFFAOYSA-N 516.505 5.041 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 2069535299 SPHUIJWPZSWHEE-ZTWHCWNPSA-N 510.923 10.671 50 10 KKGE CCO[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492483 LZUNAWDFNFXGCL-PTOCZWBJSA-N 526.288 6.442 50 10 KKGE CC1(C)C[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468617 LTXXAKUJMPMEKE-INWYIAFRSA-N 540.315 6.832 50 10 KKGE C[C@@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469271 UFXPKPKCWTZECT-ZXPFJRLXSA-N 552.248 7.605 50 10 KKGE Clc1cc(CC(CBr)(CBr)c2ccc(Br)cc2)c(Cl)s1 2195407946 UDLDQNIVCYXBTB-UHFFFAOYSA-N 521.927 7.088 50 10 KKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206398295 SXBWITBDQPDNOA-JRKPZEMJSA-N 596.821 8.389 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Br)cc1I 2207260925 RYYBLZSRLNWPCC-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 2207359705 JJWZXLUKIXYWGF-CQSZACIVSA-N 534.388 6.339 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1csc(I)c1 2215854780 VNRALGZNVJTJOM-SNVBAGLBSA-N 506.428 6.447 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1nscc1Br 2219913200 NBUDYZYOBBRECC-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE CS(=O)(=O)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2257529002 WNSMFLUJQFTXLJ-KGMSYRRLSA-N 501.487 5.186 50 10 KKGE Brc1coc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2258116780 IUWKADFOIBWVKJ-NSHDSACASA-N 631.576 7.576 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790025 JYPHNDARIAPZRE-HXUWFJFHSA-N 505.709 7.484 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2297551465 MFWJWMXFVUXYPA-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)NN=Cc1ccc(Cl)cc1Cl 2297640064 OCAZZWFMIYEVSD-AREMUKBSSA-N 666.393 7.501 50 10 KKGE CCCCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)cc2)cc1Cl 2314432534 BOTTWQSKWJZIBT-UHFFFAOYSA-N 628.132 8.664 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314499312 BCRVRUZORHZGNZ-NRFANRHFSA-N 527.627 7.269 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314621007 YMKGKHPFBXPCQP-UHFFFAOYSA-N 537.830 7.018 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OC 2314634546 HJVJUEGSCQQEBX-WJOKGBTCSA-N 524.617 6.410 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1ccc(I)c(Br)c1)C(=O)OC(C)(C)C 2325365895 OZLOZZUHQNCBDQ-GOSISDBHSA-N 591.122 5.981 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)nc(O)c2cc1OC 2331044502 TZPYJUUEEAUYIJ-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OC)c1OC 2331396237 APHWGTUJWLRXOA-UHFFFAOYSA-N 521.639 5.665 50 10 KKGE Cc1c(Br)csc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337090195 KKSGIYXSTUHVFW-JTQLQIEISA-N 511.863 7.465 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2337095684 DCVRKDXTJQFCAS-LLVKDONJSA-N 511.863 7.465 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@H](Br)C23CCCCC3)c1 2338756934 FEYBCKCGJMHLTH-UONOGXRCSA-N 500.012 5.919 50 10 KKGE COC1(C(F)F)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2343012408 QBCGPIMBLSARAT-APTSENTRSA-N 503.428 6.376 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Cl)c2sc(Cl)cc2I)c1 2363883533 HSVOYJKJDJTQRK-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE CCOc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1 2364063705 LAVNXTANRPGJGG-SNVBAGLBSA-N 531.868 5.591 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)cccc1Br 2365187906 FTCLUHMCGOMCOT-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Clc1cc(Br)c(CC(CBr)(CBr)c2cccc(Br)c2)s1 2372286375 AOBKLQSYCFEDFU-UHFFFAOYSA-N 566.378 7.197 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 8456033 SZZBJQZWLYDWBU-UIOOFZCWSA-N 515.610 6.042 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651510 VNRKZPJUAQGQOG-QKFKETGDSA-N 509.331 5.179 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 38686822 ZITDODXXDGYJKC-PMERELPUSA-N 506.533 5.771 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)oc2ccccc12 38687858 UUQCDTPBRPNGEZ-QHCPKHFHSA-N 501.336 5.941 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 40882601 ZHCWZVJKJPELSL-HMMYKYKNSA-N 509.389 6.937 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1 100233719 UMIYTXBMSQAZIY-LPSZMKJGSA-N 605.529 6.943 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242193 UUTWDSFQGLQZRW-NLTRVXJZSA-N 506.027 5.799 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc(C)c1Cl 101365027 XMCOCAOYJPAOQK-XMMPIXPASA-N 529.807 6.466 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367425 GDNDUTALNQCAKX-UMSFTDKQSA-N 590.676 7.281 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OCC 101370540 MVNFLNJDYPBETG-VWLOTQADSA-N 535.394 5.684 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381183 JWFDVEOSLQGMRO-RCJPVRJISA-N 625.552 8.707 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382852 AXXBKHOKRDMPRK-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(C)cc1 101388023 HCFVJHAGIRELHJ-WJOKGBTCSA-N 577.593 6.318 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101393269 XSJWDKRUVFEEMZ-GDLZYMKVSA-N 617.496 7.519 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101395723 RRRRLRHVXVELRG-HKBQPEDESA-N 580.681 7.763 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101396901 FIJHWERTNYJHCQ-HHHXNRCGSA-N 559.087 7.870 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399586 BDCAYSUMCSYVGZ-JGCGQSQUSA-N 590.607 7.214 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Oc6ccccc6)cc5)c(C)c43)coc2c1C 101619573 GORBWZJRNBCAFE-FDEZRRJOSA-N 561.638 7.395 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 102458726 OYBXIVBAXLODAN-MZOFLMDJSA-N 522.457 6.621 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1)c1cc2ccccc2o1 103797298 FMVZDZMSZUFEFG-LGJNPRDNSA-N 575.200 6.143 50 10 KKGE CCOc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC 104956679 UPGDATWMBHWBRW-QXUDOOCXSA-N 556.707 6.300 50 10 KKGE BrC[C@H](COc1c(Br)cc(Br)cc1Br)c1ccccc1 115571333 IIWSLFMYZPVSSM-LLVKDONJSA-N 527.876 6.532 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C 118920948 QAKZCDKFOJOVRK-RGRSVEPJSA-N 568.624 8.763 50 10 KKGE FC(F)(F)c1cc([C@@H](Cl)c2cc(Br)sc2Br)ccc1Br 124605424 KTZMHTIALBROEM-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(C)cc2Br)ccc1Br 137918624 GIGGXBZJMZUNMP-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCCC(C)C 150411304 WTAAFEFJBZOTLJ-FEYHCUAUSA-N 660.796 6.189 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 150485214 FKNYWLIGWFARBD-SSEXGKCCSA-N 631.523 7.909 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485763 QVVALOWLIXGEJB-UMSFTDKQSA-N 659.566 8.081 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(I)cc1 164624457 QSPJSWBWKBENEC-VFLNYLIXSA-N 745.149 7.146 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198744846 NFUXEEBNNGXZDC-KPGMTVGESA-N 584.297 7.678 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 206489145 IDJDMTFAVFPXQV-XLNRJJMWSA-N 516.594 5.574 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 214314970 JZFCOULUNBEELA-PKAZHMFMSA-N 532.600 6.022 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 232481717 YNOKYCHEJVUYTH-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccc(Br)cc1 254314102 YMCQJCXQVWPKFS-HXUWFJFHSA-N 585.531 6.426 50 10 KKGE CC(=NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254560415 SRXMNSOVVSRWKH-FGZHOGPDSA-N 522.443 6.236 50 10 KKGE O=C(NN=Cc1cc(N=Nc2cccc(C(F)(F)F)c2)ccc1O)C(O)(c1ccccc1)c1ccccc1 254876859 ZICQQQXZEJYNGI-UHFFFAOYSA-N 518.495 6.213 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(I)cc1)[C@H]2Br 261366744 ITOGPPJHFCRJKY-UVBJJODRSA-N 605.934 5.916 50 10 KKGE O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1I 263628648 BYZJZUDMOCDWQX-FQEVSTJZSA-N 686.094 5.326 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cscc2Br)cc1Br 404829866 HWTOEUNBXRJXDV-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc2ccccc12 725383418 VUTNENQCQMAWDP-GDLZYMKVSA-N 508.618 6.120 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1 725393700 VOCOWJNTVXDGFU-UHFFFAOYSA-N 565.095 5.097 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl 1083952096 OXZRCXKNTQHVIB-UHFFFAOYSA-N 619.914 5.720 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 1084016808 RNVGFHOFGOLOFW-UHFFFAOYSA-N 570.472 5.638 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl 1084093773 HCTIPHAKNKQYFK-LICLKQGHSA-N 580.693 7.933 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1OC 1084179222 UFTJZRNUOABKFL-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 1084536095 UJKHBXHLJSKXES-HDICACEKSA-N 575.628 5.392 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CSc1nc[nH]n1 1084585311 IJNYHMHECPSRFN-UHFFFAOYSA-N 520.707 5.013 50 10 KKGE O=C(O)c1ccc(COc2c(I)cc(C=NNC(=O)c3cc4ccccc4o3)cc2I)cc1 1084586679 LHDNUWYPJVWMEN-UHFFFAOYSA-N 666.209 5.683 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C)c1 1084587804 PAGMDFMAAZFXCN-UHFFFAOYSA-N 572.253 6.618 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1084652665 WAAXKCLVMPDOEB-RUZDIDTESA-N 589.914 6.443 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653478 VCKZORUJWHRCID-GDDHYYISSA-N 550.511 6.914 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772746602 DRJRRYUIWIESBF-MRXNPFEDSA-N 518.545 5.016 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCCc1ccccc1 1772753802 JPIZPVCODGZZHH-UHFFFAOYSA-N 516.682 6.560 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865685938 OLXORDMZDHCQPX-OAQYLSRUSA-N 538.232 6.827 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686684 YLJLMELDZHISRI-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865690577 VMBUTWPUTWCUSV-MHZLTWQESA-N 541.051 6.988 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865690954 FVOCPBXGVCHOBK-JOCHJYFZSA-N 546.977 6.730 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865696182 XZBVAEXZEAUUKP-GDLZYMKVSA-N 541.611 6.049 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712226 SOCXVOWVIFNNAX-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CC(C)(C)c1ccc([C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455833 DMZQEVRUFFMQOZ-MHZLTWQESA-N 523.681 8.238 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)C[C@@H]2c2ccccc21 1868455911 GZGNQBWZVMGGNL-AREMUKBSSA-N 550.663 6.281 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1872756399 YPFSUVXMEGVSKS-UZYVYHOESA-N 500.405 6.971 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1OC 1872795107 NIXZSQCPJOLXSA-VGOFMYFVSA-N 524.267 7.741 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)cc5F)cs4)cc3C2=O)c1C 1872818244 TUAIULUWIFPEKX-DAFNUICNSA-N 513.525 6.456 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1sc(Br)cc1Br 1922945234 DPQIPXJXCCKCCA-JTQLQIEISA-N 525.832 6.798 50 10 KKGE COC1(C(F)(F)[C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924568463 GZRFAOOSDZBLTG-SSDOTTSWSA-N 547.879 6.676 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924570114 FGSWIVQYTLWVQM-LURJTMIESA-N 586.767 6.499 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)s1 1924586123 UKHPNUZUIUVHQM-ZCFIWIBFSA-N 520.320 7.732 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924590976 MPWPHFMADUECFS-VIFPVBQESA-N 538.324 7.482 50 10 KKGE FC(F)(F)c1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924601852 OXFGOQGWOAVINM-VIFPVBQESA-N 513.398 7.383 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCO1 2021893195 JJFMJBLCIKZBFC-GZMMTYOYSA-N 511.899 6.431 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12 2053614223 HPTLOEMGDFECHV-UHFFFAOYSA-N 653.860 7.529 50 10 KKGE N#CC(=C1N[C@@](c2ccccc2)(C(F)(F)F)[C@H](C(=O)c2ccc(Br)cc2)S1)c1ccccn1 2059835693 JRCQAESKBUWOKH-JTHBVZDNSA-N 530.369 6.082 50 10 KKGE CCOC(=O)/C(C#N)=C\C1=C(Cl)c2c(C)nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2CC1 2080385712 ZBFFSTUJVXPKKS-MLPAPPSSSA-N 503.830 6.128 50 10 KKGE Cc1nscc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495931 UBDJKUFLLMQIID-LLVKDONJSA-N 539.312 6.830 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3OCC[C@@H]32)c1Br 2085496342 VYYXVJIZKBWIJP-JYWNLXDVSA-N 568.723 6.208 50 10 KKGE CC(C)(C1CC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500447 NVPVNDXOMXVFCS-LBPRGKRZSA-N 568.767 7.609 50 10 KKGE Fc1cc([C@H](Br)c2cccc(Br)c2Br)c(F)cc1Br 2092330498 JMKXNAAOBDYQIP-GFCCVEGCSA-N 519.803 6.737 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@]12CCOC2 2141468380 JLXGFHCZWBZQGJ-MYWNEDRFSA-N 538.299 6.443 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141470307 GDKZVAHVYTXCKG-MRVPVSSYSA-N 726.540 8.807 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cccc(I)c2)c1Br 2141470845 LHEKMZKPMREKQU-NSHDSACASA-N 688.615 7.826 50 10 KKGE FC1(F)CN(Cc2ccccc2)CCCN(c2c(CBr)ccc(Br)c2Cl)C1 2154355163 BPKNXWCUEODDBO-UHFFFAOYSA-N 522.659 6.345 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC[C@@H](OCc3ccccc3)C2)c1Br 2186389594 NJTGTPJLMJWYGC-GOSISDBHSA-N 517.283 5.022 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCCCC[C@H]21 2206398243 SHJVHOUPNVWWFO-KMZKAAFHSA-N 550.354 7.843 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401608 YIGQTXMTPHRIPO-JKUQZMGJSA-N 608.710 7.761 50 10 KKGE COc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2207359704 JJWZXLUKIXYWGF-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c(Cl)cc2C)c1 2232222259 HPWQNVTYDNGPLN-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Brc1ccc([C@@H](CI)OC2CCN(Cc3ccccc3)CC2)cc1 2250383893 LHTCQVCHWVILKA-HXUWFJFHSA-N 500.218 5.606 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263446726 QPFHDMCUHADDLH-GFCCVEGCSA-N 517.906 7.023 50 10 KKGE CS(=O)(=O)c1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 2272851427 JCRNFAKEOAVRFM-ZETCQYMHSA-N 573.973 5.985 50 10 KKGE COc1c(Br)cc([C@@H](Br)c2cc(I)sn2)c(OC)c1C 2295426187 OZAPCQGSFQCAIH-LLVKDONJSA-N 533.023 5.320 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)sc2Br)c(I)c1 2301793476 CCDZDUJRTIMUTR-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl 2313545746 CBTKNJMQSIZVTP-UHFFFAOYSA-N 536.459 6.227 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc2ccccc2c1 2313556370 XHAWJBXTKDSHBL-UHFFFAOYSA-N 550.058 7.218 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 2313566830 BJWUCXLIVKQIFP-UHFFFAOYSA-N 541.655 5.801 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 2313566857 BYSKBZWULNWAQK-UHFFFAOYSA-N 502.412 5.284 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 2313568568 UTSHTAIZVRJSDB-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE N#CC(=Cc1cc(I)cc(I)c1O)C(=O)Nc1cccc(Cl)c1Cl 2313570725 DWCNBOQQYPGSCV-UHFFFAOYSA-N 584.966 5.454 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314440806 SLNYRGNLDSFRLT-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 2314476788 VYKTUKNPHJFERB-DQEYMECFSA-N 579.726 6.060 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593008 FTNRTOHMGSYHAL-CRICUBBOSA-N 552.483 6.306 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593949 WHPCDUNSENHWIR-IQGLISFBSA-N 518.038 5.652 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 2314634285 XCAUIAKKBMNSAA-SSEXGKCCSA-N 506.646 7.119 50 10 KKGE ClCc1cc(Br)cnc1Oc1cc(Br)cc(I)c1 2316720148 MMWAGHKLCUHEPR-UHFFFAOYSA-N 503.359 5.742 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)ccc1F 2331320405 KBQPXASZADJCFV-UHFFFAOYSA-N 515.953 6.662 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(Cl)cc3Cl)n2)cc1C(C)C 2331353880 HTJHIQNMPMKUKF-UHFFFAOYSA-N 516.450 6.780 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 2331394531 RCABQVCIVTYPMR-UHFFFAOYSA-N 502.552 5.513 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCC(=O)N(CC)CC 2331456761 COHAAMSEALSVBN-UHFFFAOYSA-N 511.647 6.673 50 10 KKGE CO[C@]1(C(F)F)C[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2343012410 QBCGPIMBLSARAT-IAQWREMFSA-N 503.428 6.376 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(Cl)cc2Cl)c1Br 2351640490 DJOUSFGQIAEMKG-JTQLQIEISA-N 511.863 7.512 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1Br 2362220369 JELBMLYQOYBSNC-NSHDSACASA-N 615.154 8.013 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2364071328 QMGPYMFOYPUDQW-SNVBAGLBSA-N 594.765 6.571 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1c[nH]c2ccccc12 12491350 URALKDJNYPAWBS-OPEKNORGSA-N 501.178 5.375 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 29492330 IPWGILXOSUYIRX-PGZTYAEFSA-N 513.557 6.496 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 33568592 FLFLBFWZXYOWMU-MEFGMAGPSA-N 510.597 7.151 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(Br)c1 38651519 ZGEXHCPPEACIGP-HHHXNRCGSA-N 511.375 5.969 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1C 38651525 DLCCBMLYUIKKLI-RUZDIDTESA-N 505.368 5.269 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679873 HOPMCJOJLMYRRP-RUZDIDTESA-N 523.416 6.493 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 38681105 YFGCFPUSYBDWTE-HKBQPEDESA-N 518.569 5.779 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38683066 GYRMFCLVYCQPGE-SSEXGKCCSA-N 512.606 6.191 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684635 MIWNLWLXJUSZDB-MUUNZHRXSA-N 502.542 5.453 50 10 KKGE COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1)CC3 39881720 WOROZPXAMFEJNP-UHFFFAOYSA-N 507.377 5.319 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 39993075 CSJJQBMDXHJFRB-CJLVFECKSA-N 522.561 5.134 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40826864 FMNVVNZXLUUFEC-YQCHCMBFSA-N 525.649 6.945 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1 58889216 LOGBUMHTSQKGTK-CHVMBPBASA-N 501.808 5.645 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1F 58895349 WCNTZQIPPVCLBL-GDKBXFSLSA-N 534.628 5.895 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1OC(C)C 97914670 VTNSPYYSOJNNMG-HHHXNRCGSA-N 501.067 5.548 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100177685 UULGJQKTYTXKLV-NSHDSACASA-N 524.626 5.183 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 101115313 AJSBQKGBOQUWRZ-ICFOKQHNSA-N 533.415 6.637 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 101115696 DUPZPAFDUGJIPH-VBKFSLOCSA-N 539.806 6.610 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101337500 NVDJCSLBFBCHFV-CSWQPERPSA-N 631.758 6.067 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339504 CXFWKOLBXLIPPU-NDZAJKAJSA-N 558.707 7.142 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101340684 KRCZJUWDAMSQDK-JVWAILMASA-N 547.058 6.910 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379261 WFGDMKRCZDEFMV-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379676 VUOYOOAQLOOMMY-LXELRTFISA-N 534.999 6.756 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380606 ZYJFPGJFWGCFLO-HKBQPEDESA-N 548.614 7.140 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382843 JJIUUYQXCQQENU-HKBQPEDESA-N 567.041 7.145 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCCC(C)C 101393304 FZKIQJHTYAYLDL-GDLZYMKVSA-N 552.583 5.664 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)oc2c1C 101393784 PXKLZOWIDXYSIK-PMERELPUSA-N 542.591 7.588 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602373 SQAOHHREVPMZDH-UXHLAJHPSA-N 597.809 6.150 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OC)c1C 102924523 NKEPPFZUBHQTHB-RVDMUPIBSA-N 521.576 5.226 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 102933839 FUMJOMTUVCGOTL-YVLHZVERSA-N 542.773 6.144 50 10 KKGE CC(C)c1ccc2c(c1)/C(=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N2 103727144 VFHKBIBPTNHXKL-UHFFFAOYSA-N 549.287 5.321 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc(C)cc1 105151799 ICBGPIZQHLWKFC-CICSQNLLSA-N 574.492 5.010 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(Br)ccc1Br 128844826 QWHDNNYNTQBCGZ-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc(Br)ccc2o1 163793852 XMIBLCBBRALCMV-RPPGKUMJSA-N 620.197 6.051 50 10 KKGE O=C(c1ccccc1)N(O[Si](ON(C(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 196183850 GGNXQZVDAGMCLR-UHFFFAOYSA-N 606.754 6.800 50 10 KKGE Cc1cc(Br)ccc1N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216507190 FNKZANNADBWDFE-GFMRDNFCSA-N 515.455 5.511 50 10 KKGE COc1ccc([C@@H](Br)c2csc(I)c2)c(OC)c1Br 224852016 JKNOIGCBYMAORP-NSHDSACASA-N 518.008 5.617 50 10 KKGE CCCCCOc1ccccc1C=NNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 252639767 YNKRSOIYKJDXDI-UHFFFAOYSA-N 514.047 5.255 50 10 KKGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1 252640254 YSCMVKKEGYGMTB-MUUNZHRXSA-N 628.513 5.130 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OC 254756729 DJCCTHSVVFRAFK-UHFFFAOYSA-N 524.693 5.633 50 10 KKGE Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=Cc3c(-c4ccccc4)n(-c4ccccc4)c4ccccc34)c2)c(C)c1 254761504 DAWLMXQMZRGUCD-UHFFFAOYSA-N 598.728 7.479 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)ccc1OCCOc1ccc(F)cc1 254813619 WUEUVBLFKRAZSO-UHFFFAOYSA-N 607.660 5.256 50 10 KKGE ClCCc1nc2cc(I)ccc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390681273 XNMYWRIFNFMJII-UHFFFAOYSA-N 543.880 6.515 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(O)(Cc2ccccc2)CC1 725237606 KVIBSWFGKDZOGB-XMMPIXPASA-N 551.030 5.676 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12 725400360 JZYUHJIDGUUHPY-UHFFFAOYSA-N 536.429 7.007 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)c1 1084004737 CBNPDMIQJSVWBF-UHFFFAOYSA-N 542.705 5.872 50 10 KKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(Br)cc1 1084138965 NLQMNUJYRCUOHO-UHFFFAOYSA-N 555.064 6.047 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)cc1 1084208114 ZFHAWZXOONDMAI-UHFFFAOYSA-N 503.577 6.935 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1084377875 UFPNDDRHOPLRQN-NDEPHWFRSA-N 805.835 8.278 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084456294 LCEABUUAHMJODP-HXUWFJFHSA-N 579.129 7.258 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(F)cc1 1084485183 LWBPTRPGUXHZDH-UHFFFAOYSA-N 522.374 5.730 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 1084530459 LHSBVNTUCAULQI-XMMPIXPASA-N 525.443 5.699 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865686470 WOMRXLRILGONGP-AREMUKBSSA-N 504.977 6.573 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687770 AEDOVNCXADRMHN-HHHXNRCGSA-N 561.469 6.590 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688379 QSHXOZPSITVDDJ-LJAQVGFWSA-N 520.633 6.329 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccc(Cl)cc3)cc2)cc1 1865692955 KGIYIPZFWBOIKA-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696496 OAKPAQOQXFICFK-IBGZPJMESA-N 520.214 5.818 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1O 1865697252 YLQWHLXZQCOCNB-JOCHJYFZSA-N 547.384 5.432 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698908 FYIYXSFFHDITLO-AREMUKBSSA-N 522.008 5.970 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865702640 YAWLVXGTNGTYSM-AREMUKBSSA-N 526.040 6.266 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703390 VAUAALYDGSPTMK-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710838 JQIMKLMVRUVBRT-JOCHJYFZSA-N 541.360 7.142 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711162 RDPQURQVULLNHR-HNNXBMFYSA-N 519.232 6.435 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711788 IDIXCBWJXSLWNK-MGBGTMOVSA-N 572.640 6.755 50 10 KKGE C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866942673 RIIUCZBAXVCQLO-GAJHUEQPSA-N 508.441 5.492 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867109422 MXNOWPKGZUFXLY-KCWPFWIISA-N 503.643 6.285 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)n2)c1 1868505933 NVOIEMVIFFQYJB-AREMUKBSSA-N 552.635 5.554 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(C(C)(C)C)cc4)c(OC)c3)nc(O)c2cc1OC 1872727689 SWRRQFJWCXVJMC-FYJGNVAPSA-N 525.605 6.302 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 1872753102 HQUSNMLNXTVEMB-QYQHSDTDSA-N 514.651 6.821 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872753170 KHFRCSLSIQBJGM-DAFNUICNSA-N 506.518 6.181 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCc1ccc(C)cc1 1872781816 SZFBSOAPFVKHHM-ZVHZXABRSA-N 512.631 7.178 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872792805 RTEHZRDZOLWDDG-WOJGMQOQSA-N 517.478 8.157 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)c(Br)c2)c1Br 1922897866 QGTSOFBVZUQZMH-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924596220 KSYAYNHZTRVIGI-QMMMGPOBSA-N 694.644 7.887 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)ccc1I 1925584473 JEPLATPHISFBRE-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)ccc2Br)c(Br)nn1C 2067860282 LCCZEPGJUNUPMU-NSHDSACASA-N 501.842 5.500 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2085495991 OBORNDPXTOJDLR-LBPRGKRZSA-N 524.316 7.597 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)cc1Br 2113357958 LUAHIKVDVVKIHN-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)cc1Br 2129264848 FVCULTMUBVEELY-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE ClCc1nc2cncc(Br)c2n1-c1ccc(I)c(Br)c1 2151789860 KDIAISWLMNOFFJ-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE CCc1nc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)s1 2169487442 GBMJGKJCTHFNDV-SSDOTTSWSA-N 514.024 6.795 50 10 KKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2193090349 FADRLCMBGHYSFV-XHSCVUKGSA-N 563.853 6.582 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(I)ccc2Br)cc1Br 2202350300 CVTAISAZRWNMAK-CQSZACIVSA-N 595.294 6.963 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(I)c2)c(C)c1Cl 2217612655 HAWOZLZESGVONN-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)c(C)c1Cl 2232510974 OUHYXFLTDMKXTH-AWEZNQCLSA-N 546.322 7.729 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232519996 MNZQVZDVUBBIPT-GFCCVEGCSA-N 524.838 7.651 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1Cc1sncc1Br 2234057364 MMQRTZXRSNJCLY-UHFFFAOYSA-N 500.441 5.567 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198335 WAAIGPJHOQMXEX-DEOSSOPVSA-N 566.908 5.888 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)c(Br)o2)cc1 2296647837 IYRWYBINPYEUBO-UHFFFAOYSA-N 588.300 5.572 50 10 KKGE Brc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2299491867 GRXXFMSUHODPMI-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571229 QIEFBMLSYZNBIK-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448157 FLJXYBKKAOBAGC-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE Clc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314449288 OWXHJXFAHWAWTQ-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314452406 MYWOGVGFMJUYMF-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571668 JWQBOFYMPCSLIJ-UHFFFAOYSA-N 552.780 8.202 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593961 WNSSQTBHHKVSJA-MUAVYFROSA-N 523.702 6.731 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314611119 RACDOKHADAYEDN-UHFFFAOYSA-N 611.101 7.564 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314620348 NVUGRHAEMWUWBV-UHFFFAOYSA-N 570.649 5.948 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643349 UXCAZNZWUZYLGR-YTTGMZPUSA-N 633.915 8.071 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 2314646932 VEJZVKMQDKNKSY-SANMLTNESA-N 630.682 5.211 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2C)c(OC)c1 2314754240 NROJBOVQRSMJJL-UHFFFAOYSA-N 592.648 6.417 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)nc(O)c2cc1OC 2331044512 VOHWAIUCPAYWSC-UHFFFAOYSA-N 538.387 6.311 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc5ccccc5c4)cs3)CC2=O)cc1 2331238757 SVTPDKFBUZATIB-QFIPXVFZSA-N 509.587 5.986 50 10 KKGE N#CC(=C(O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2331259739 VKNYJQKIPFBZPY-UHFFFAOYSA-N 509.212 6.102 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(Br)c1O 2331491547 PUEGMPURFPIPPZ-UHFFFAOYSA-N 503.374 5.377 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cnn(C)c1I 2339651457 POOSNBHYQWUMRP-VIFPVBQESA-N 566.832 5.482 50 10 KKGE C[C@H]1CCC[C@](CI)(OCc2c(Br)cccc2Br)C1 2340604838 YUAQTRTYFOFJEB-NHYWBVRUSA-N 502.028 6.112 50 10 KKGE Clc1ccc([C@H](CBr)OCc2cc(I)ccc2Br)cc1 2367610893 LDRJDLHWHSSKBH-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE Fc1ccc([C@H](CBr)OCc2ccc(I)c(Br)c2)cc1 2377612453 QHDCBENIFXCZSU-HNNXBMFYSA-N 513.970 5.846 50 10 KKGE C[C@H](c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)Nc1csc2c1CCCC2 1511283 YBLCXUHDMDBXQV-JOCHJYFZSA-N 525.674 6.189 50 10 KKGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2ccc(Br)cc2)c(C)cc1C 2727679 RJKPCDHUVZNTPD-HSZRJFAPSA-N 513.457 6.003 50 10 KKGE N#C/C(=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 33403718 OZTRVPUNNMHQPL-BOPFTXTBSA-N 504.352 6.415 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c(OC)c1 38657038 XJUAFYPZWAGLAO-HHHXNRCGSA-N 500.551 5.176 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 38684031 YWHRBKAWYVBNNN-PMERELPUSA-N 528.605 5.775 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1F 39867469 DQVDSGVGWXEAES-UHFFFAOYSA-N 500.961 5.960 50 10 KKGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 39993086 BKVGKPOZXDEQID-DTQAZKPQSA-N 506.440 5.060 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823090 VPJANRZOYHLWSO-WPWMEQJKSA-N 501.768 5.122 50 10 KKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1F 59304799 PREVTLXYEVPIES-IPPBACCNSA-N 504.359 6.410 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(I)c2)cc1 59335301 PDPAIPAGQJUCON-BKUYFWCQSA-N 508.359 6.033 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)cc1Cl)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 97968660 PTMHMYOTGZZNGE-YZYPULCFSA-N 563.293 8.015 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 100236849 GBZHGZNSWYWTKI-LCVHJTKWSA-N 531.436 5.944 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243391 MUIIKVJLPHCAPR-RRHSLZJWSA-N 564.538 7.420 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101245040 XJRIFEJKBCVVHV-PYCDNFCQSA-N 550.511 7.490 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101336385 CCWHPXZIUKSQJY-STBIYBPSSA-N 521.580 5.880 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101339735 ONUGMHWAROFWLU-BIZUNTBRSA-N 620.665 6.639 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101368028 IDBPKZDZXDGETN-PMERELPUSA-N 544.604 5.475 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)cc1 101370655 JYNWWHYOJUPZMZ-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 101375604 MHNYPEMDBGAAMR-HKBQPEDESA-N 556.659 6.880 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381268 OFTMVNFKPHVTMG-UMSFTDKQSA-N 607.493 8.092 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1Cl 101381276 FTCPAKWWDAROFU-HKBQPEDESA-N 621.904 7.737 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 101393213 CBBRSAUJPDSCRA-PMERELPUSA-N 625.549 8.187 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 101394865 LDIDZUJYVACXGG-YFCIGXFPSA-N 560.735 7.774 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1 101398030 CLGIDDCQFURROL-ORZIQXDESA-N 605.562 8.693 50 10 KKGE O=C(N/N=C/c1ccc(Br)cc1)c1ccc(-c2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1 103756258 SHIVABCGGQSUBY-LTTYKRRRSA-N 604.302 6.406 50 10 KKGE BrCC1(COc2c(Br)cc(Br)cc2Br)CCCCCC1 115568195 UXFUSARWAWKETA-UHFFFAOYSA-N 533.924 7.088 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481785 KISHBCQNIDVKRE-MUUNZHRXSA-N 668.385 9.531 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc(OC)c3O)cc2)c2ccc(C)cc2)cc1Br 164604256 PAWHBNQYAAQPJM-KCSSXMTESA-N 638.540 5.640 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(F)c2)cc1 205781865 IVWHTEITKSCXKS-IVYIFMIMSA-N 714.775 6.183 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 214271549 SLJFNUIUENMNNR-OYKKKHCWSA-N 512.585 5.715 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(/c1ccccc1)c1cccs1 253579713 ZYKUSBJYZAKXAV-UJOFEPSHSA-N 537.114 5.841 50 10 KKGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254593055 KJHQXWDAUMDRRP-UHFFFAOYSA-N 501.542 5.092 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254629844 DFQPSBJACSFDEU-HOWVJYFQSA-N 638.637 5.681 50 10 KKGE COc1cc(C(=O)CC(CCCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)c2cc3ccccc3cc2O)ccc1O 254739844 DXKQDINBZYIUQK-UHFFFAOYSA-N 584.585 5.336 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)n2-c2ccccc2)cc1 254818415 IADPHFACCTWFTQ-HHUIMLSUSA-N 548.466 5.573 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2OC)cc1 254844126 ABBWLJDCKPTIHZ-UHFFFAOYSA-N 512.562 5.386 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c(OCCC)c1 254853818 DOFZWKVABZUCKK-UHFFFAOYSA-N 557.672 5.890 50 10 KKGE Fc1cc(F)c(F)c([C@H](Br)c2cc(Br)ccc2I)c1F 396073284 HURUYJFNIUJRKD-LLVKDONJSA-N 523.887 6.094 50 10 KKGE CC(=O)O[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@@]12C)[C@H]1CCC(=O)C=C1C[C@H]3CCCCCCCCCBr 504198410 MQMZNCMIENHRBS-LSHDJMSWSA-N 521.580 7.802 50 10 KKGE CCO/C(O)=C(/C#N)[C@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145757 YGRHOGUIPLPHJO-GXWAJPIUSA-O 523.407 5.038 50 10 KKGE C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 604934392 YGXDKYAIMAMUAT-FLYKCNIISA-N 920.311 7.460 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1083922701 OYPGDYWAXYYQJP-UDWIEESQSA-N 538.341 5.423 50 10 KKGE Cc1c(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 1083936603 NVMVPEMKNVQLHQ-UHFFFAOYSA-N 576.893 5.487 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OC(=O)c1sc2ccccc2c1Cl 1084080101 KXLTZBAXVOOEJQ-UHFFFAOYSA-N 557.853 6.699 50 10 KKGE O=C(NN=Cc1ccc2ccccc2n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084125968 BHDHIUANEYCUKL-UHFFFAOYSA-N 517.245 5.424 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084178078 FJNQHZAGRJDPCB-KMOWTAILSA-N 527.138 5.919 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084268905 OJZXWHWGJBMGKC-UHFFFAOYSA-N 600.675 7.441 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084335187 FVCIHQYDRGWENY-LZYBPNLTSA-N 546.204 6.609 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1I 1084371879 JAJCOTIOPQDYAF-UHFFFAOYSA-N 614.487 5.894 50 10 KKGE COc1c(Br)cc(C=NNC(=O)CSc2nc3ccccc3s2)cc1Br 1084509484 RMVFXADXULHUFY-UHFFFAOYSA-N 515.252 5.072 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1084568917 HQTQEJUBWDTEKH-UHFFFAOYSA-N 586.486 6.372 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 1865683994 KSASZFAWHZXHSP-NRFANRHFSA-N 503.787 6.173 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCCc1ccccc1 1865687965 FDDRZHNKEZEWFX-VWLOTQADSA-N 546.549 6.048 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865694853 DDSJNWCUWIUGSY-XMMPIXPASA-N 533.415 6.472 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865694855 DERFWRXUWSIXDD-MHZLTWQESA-N 506.606 6.074 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865695318 NJAPJLOZTZPXOH-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695824 UNFNKERITVBZJS-GDLZYMKVSA-N 520.633 5.916 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701017 JSQBRODHRSOLRL-QHCPKHFHSA-N 549.414 6.090 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701081 LCZMYKHKYSJVKH-SFHVURJKSA-N 550.638 5.342 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702596 BWEZNOBVJKTMJL-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702873 HGHPUCUIAQFLKD-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705405 UXOBPSHHQWYUOX-SANMLTNESA-N 575.452 6.578 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709131 OQCAEVUSOJBXPS-MRXNPFEDSA-N 509.271 5.203 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709486 WBVZSSRCLIPDBD-GDLZYMKVSA-N 575.685 5.277 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713192 UBFPBUSIQKBYRT-DEOSSOPVSA-N 516.960 5.626 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc2)cc1 1866756420 FSHCGWWMAHWUJS-LJAQVGFWSA-N 527.596 6.556 50 10 KKGE C[C@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866930527 IXLCCZHTBHENNH-HNNXBMFYSA-N 506.990 5.886 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867088868 DFLOMALVTONIQD-WJOKGBTCSA-N 588.689 5.719 50 10 KKGE CC[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867130896 YMADRZANFCTQFG-NBGIEHNGSA-N 566.521 6.281 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915753596 IFKOHXOQZZJBKO-UHFFFAOYSA-N 506.609 5.761 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(C)C[C@H](Br)COCc2ccccc2)cc1Br 1916365017 RTMFGIGDBFBJKW-HNNXBMFYSA-N 570.141 5.121 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1COc2ccccc2O1 1923071787 KUFDSZFXPVXWBK-WPRPVWTQSA-N 503.437 6.203 50 10 KKGE C[C@@H]1C[C@@]1(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782674 JVFAFIVWYOYWLV-REAJZDTOSA-N 558.703 6.921 50 10 KKGE O=C1c2ccccc2C(=O)N1CCc1nccn1-c1c(CBr)ccc(Br)c1Cl 2036848559 PDFZAWKTRLLFBY-UHFFFAOYSA-N 523.612 5.022 50 10 KKGE CC(C)(C)C1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2043038067 XTBXNJATTRDCGI-IEIXJENWSA-N 523.954 7.544 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(COc3c(Br)cc(C)cc3Br)cc2)cc(O)c1O 2069727200 XQGSGSMNYVQVDA-UHFFFAOYSA-N 564.230 5.283 50 10 KKGE Clc1ccc(I)c(CC[C@H](Br)c2ccccc2Br)c1 2113446010 CCHVNJHEBQCUHY-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)C2 2141468489 KJBMJBDMBHFJHS-MBWFCSIISA-N 536.327 7.597 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2cc(Br)sc2Br)c1 2172412054 JMWPGPCEFOTJJB-JTQLQIEISA-N 557.849 7.539 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399907 MWLKGGJEMNJLQT-NSHDSACASA-N 659.605 8.123 50 10 KKGE CCc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2232174023 SBJCPIDFZUUVGP-QMMMGPOBSA-N 511.892 6.313 50 10 KKGE Brc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)c(I)c1 2238077349 SNAZWCMKBZFLTR-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2240996433 NDYCUATVUXXEKN-AWEZNQCLSA-N 658.191 7.978 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)oc1Br 2272842800 QWKJXJOOAUOBEE-VIFPVBQESA-N 523.791 6.638 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2282893122 HKNULQPLXMRQMJ-JTQLQIEISA-N 528.801 7.528 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OCCOC)c1C 2296789984 GVWCYAKQZORAMN-UHFFFAOYSA-N 527.624 5.145 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccccc2Br)c1 2299495096 PQJLFWOOJAZBQK-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545741 BUTAQQUZHOZIGV-UHFFFAOYSA-N 536.857 5.937 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 2313566898 CYHOUMUXSNVKLU-UHFFFAOYSA-N 576.524 6.955 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313568185 STJQCZZTPYOSGF-UHFFFAOYSA-N 552.472 6.437 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592082 LMSIRVBOPZXBCJ-VWLOTQADSA-N 536.484 7.182 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592421 SYJRRQOLQMNCNE-AREMUKBSSA-N 550.511 7.490 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593265 KLBDIGNUQALGRI-WINIVTDRSA-N 564.538 7.420 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(C)=C(C#N)C2=O)cc1 2314617019 PBCUXLRPJOMDHK-UHFFFAOYSA-N 675.572 8.226 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634869 YBCSLOOAXOBGMJ-JGCGQSQUSA-N 552.671 7.009 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643318 QDBMOEQIBVGREI-UMSFTDKQSA-N 592.623 6.649 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1F 2331337089 XLQRRPCDBPWPGA-UHFFFAOYSA-N 514.578 7.008 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1csc(Br)c1Br 2335287120 ZVPUSCQJHMPNSW-ZETCQYMHSA-N 576.732 7.966 50 10 KKGE Clc1ccc(I)cc1CO[C@@H]1CCCCCC[C@H]1I 2352252985 CTGMBWQEEAECJT-HUUCEWRRSA-N 504.577 5.988 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)sc2Br)c1 2381249856 NQFKNEJHZGGOPF-GFCCVEGCSA-N 547.932 7.091 50 10 KKGE O=C(N/N=C/c1c(Cl)cccc1Cl)c1csc(COc2ccc(C3SCCS3)cc2)n1 2148436 SWLGIBNJKYQXHW-YSURURNPSA-N 510.493 6.271 50 10 KKGE CCCC/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 33460002 WPMZLPLBPAJPIH-QOMWVZHYSA-N 518.249 6.454 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)C1=O 38607621 XBFCIKGDSZBTNM-VFCFBJKWSA-N 520.633 6.277 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 38650936 WTQFKEWYVYIISX-PMERELPUSA-N 518.569 6.102 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38682908 GIHDKBCTJNGXDK-CLYVBNDRSA-N 502.542 5.596 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684665 AYECKKOHVDCCDX-GDLZYMKVSA-N 514.578 5.323 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccncc1)CCC2 40814036 NSQMSOLKSRBESO-RUMWWMSVSA-N 514.969 6.151 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC#N 59304786 GUUBFFUXHGSPNC-QNKGDIEWSA-N 504.590 5.856 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1 59445181 RFYDRUQACCNEDV-RPPGKUMJSA-N 508.199 6.107 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 59474956 CMEOHYICHQUHLA-LPYMAVHISA-N 505.412 6.589 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1 100044254 GTMDQIBNUWUPNG-WMFSDKRHSA-N 609.514 5.348 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100062072 ZFQJJKQICWCFJB-UHFFFAOYSA-N 534.248 5.502 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227665 MQPNEMCNFSGNLB-VCHYOVAHSA-N 614.352 5.631 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccccc1OCc1ccccc1 100229672 QXFUCFGVQVFBDL-UHFFFAOYSA-N 524.198 5.175 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245744 BRGQDXNTJYAWSI-IDJUBOEBSA-N 552.483 6.766 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101335634 LMBVGTXDNOBSAR-TWKHWXDSSA-N 558.638 5.747 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C2=O)cc1 101340111 HOBCUXSQEDOAQZ-MTDXEUNCSA-N 574.637 5.400 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101372335 APDSZJDLLVSZNP-WJOKGBTCSA-N 577.077 6.819 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383118 OMBBPRPJDJEOSX-HKBQPEDESA-N 565.069 7.654 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389799 KDQGCFRMILDUSR-PMERELPUSA-N 621.904 8.062 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)oc2c1 101393773 MGOMDFSTAYGPLB-WJOKGBTCSA-N 542.591 7.588 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)oc2cc(Br)ccc12 101394146 LSGYJLFDISPQLW-HSZRJFAPSA-N 580.232 6.704 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)oc2c1C 101398859 QNQANGCDYCSQBF-WJOKGBTCSA-N 574.608 7.514 50 10 KKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1Br 101964029 HJPZSDNNXBEXLH-QPEQYQDCSA-N 537.164 5.239 50 10 KKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3cc4cc(Br)ccc4oc3=O)cs1)oc1ccccc12 102420443 UWAHREVHMGOSJK-SSZFMOIBSA-N 570.424 7.564 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCC 103452732 DJWCCEILKJERKL-QPEQYQDCSA-N 541.729 5.196 50 10 KKGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1 103627778 IVXAQVBURCYJRC-USCJFVAGSA-N 559.460 6.525 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1OC 103649652 LXMDKGSFKVWHEB-NDENLUEZSA-N 544.504 7.554 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1 103797145 RIOZVVLZHNPZEX-CCVNUDIWSA-N 619.253 6.542 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1Cl 103878440 OWIZBRRIEYNPDT-HZQMBONKSA-N 604.150 8.576 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103880203 SHKNRWDWWGHDNK-LSFURLLWSA-N 592.025 5.725 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103887825 LTCLJNVJKQRQIU-GRSHGNNSSA-N 522.355 5.799 50 10 KKGE COc1ccc(N(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 104031813 UINXVDGXBHLQAJ-DXJNIWACSA-N 564.063 5.273 50 10 KKGE O=C([C@@H](Br)CCCCNCc1ccccc1)N1CCOCCOCCN(C(=O)[C@H](Br)CCCCNCc2ccccc2)CCOCCOCC1 150398631 GXYXKDCEJYRVOK-TYHGNQNSSA-N 826.712 5.171 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433815 SIUGHIVRRNMIPW-YTTGMZPUSA-N 641.507 8.463 50 10 KKGE Br[C@@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155257620 GNMDKWFGWIAFFP-OLZOCXBDSA-N 672.908 6.366 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[P@@](=O)(O)OCCBr)NC(=O)OCC1c2ccccc2-c2ccccc21 198042917 VQQBGRQFDYYUJZ-WMMVGIRRSA-N 822.935 12.070 50 10 KKGE in-vitro COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)cc1 205780182 IESLQBGWIPJRTP-WFWSRXIXSA-N 662.768 5.499 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206509267 FOQQPZOCNYVBSM-ISDBRLTDSA-N 540.616 5.643 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 214323195 JFFQWEAHJISMSA-OENGVYFNSA-N 540.595 5.238 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN[C@H](C(C)C)C1)c1cccs1 217001178 YZSFEMUTPFHCSO-HOFKKMOUSA-N 526.102 5.618 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254849886 SYYAGFWQAOLXNK-UHFFFAOYSA-N 558.763 8.999 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256018977 DJHHYVULPZJTHK-PXRWZLGFSA-N 881.962 8.935 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1F 398585358 NFDLVOZMBSKIQH-LLVKDONJSA-N 537.793 6.876 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 504431651 VWNYSLBEKMNLIZ-VABKMULXSA-N 601.022 7.170 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588222 LAVSLNMQPNHPSL-NCNXHZBWSA-N 697.001 9.876 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616678438 IEMINCCFONPMSA-MUUNZHRXSA-N 511.899 8.178 50 10 KKGE CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3ccccc3)c1S2 642814212 QHZPNXHGZMYRJL-UHFFFAOYSA-N 522.738 8.830 50 10 KKGE Fc1cc(COc2c(Br)cc(Br)cc2CBr)ccc1Br 722005034 KXDUUMAJNSALIW-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 725431948 UBTVTXHRJFNNCJ-QFIPXVFZSA-N 566.279 6.307 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1ccccc1Br 1084013940 DFRYXNKYDXYYDQ-UHFFFAOYSA-N 739.971 6.764 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1 1084043256 QJAHYHAAOBINTK-UHFFFAOYSA-N 642.981 8.610 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1 1084088465 OIMXEIRJTGUSSP-UHFFFAOYSA-N 687.432 8.719 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084127437 BDDDSLDRMQAHGR-UHFFFAOYSA-N 606.060 7.164 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084148461 OIHUDANYENOPCG-UHFFFAOYSA-N 534.454 5.235 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 1084478589 XUYMNKUVRMJZCA-XMMPIXPASA-N 583.426 5.104 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084541836 QEWHZZRJTYURGA-JOCHJYFZSA-N 536.253 6.299 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C)cc1 1772755235 WFMQYCYVMIKUTH-UHFFFAOYSA-N 596.572 7.101 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682541 QZSOGCDASQHJSB-QHCPKHFHSA-N 545.393 5.243 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683586 MZWIRSFKYNFEDP-RUZDIDTESA-N 530.003 5.684 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683789 PNUQGJOBIITVNM-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684662 VFEARWNYVWJHMI-JOCHJYFZSA-N 535.387 5.787 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690528 UBFMVKFCRHRULR-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865708459 ADFGERHUWMRLMO-RUZDIDTESA-N 514.988 6.180 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868342082 JRZRUFAWTRTRSV-UHFFFAOYSA-N 501.616 5.264 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)n2)c1 1868506589 ZQMKVBHGQLVUOY-MHZLTWQESA-N 538.652 6.027 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(C)c1C 1872753763 LUNZUOQUUCUSQC-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(Cl)c(I)c1 1900400725 VUSNDVMNBSXCDB-IBGZPJMESA-N 506.653 6.366 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922934199 DDYPUBJLXQLDBO-NSHDSACASA-N 503.879 6.828 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(Br)ccc1I 1924044143 SYLLSEYBUZQULC-RTHLEPHNSA-N 515.414 6.295 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1csc(Br)c1Br 1924063328 PCTYMSCOLWXMFO-WKEGUHRASA-N 518.894 6.670 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@]23CCOC3)c1Br 1950635780 ZPIXADIOJFFGOE-MJIFXRKESA-N 509.883 5.898 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@@H]2CC[C@@H]12 2025779714 KSQXQUFSYUEPBE-LLORDRAXSA-N 508.273 6.673 50 10 KKGE Clc1cccc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2050320491 UEUWQFCQWCXNCZ-SECBINFHSA-N 558.742 7.780 50 10 KKGE BrCc1cc(Br)c(OCc2cnsc2Br)c(Br)c1 2055664519 VKCRDWYGNFGLBB-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE C[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493297 AHGBHKQAHLHJAN-ZTNVNUCQSA-N 570.739 6.598 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2097833709 FOPREVXLZONLFL-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)cc2Cl)c1Br 2138852079 MJFYFUIVHCFKIA-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2181744236 AIJSDGOYCLUSQK-NJDAHSKKSA-N 517.802 5.831 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397575 KWWLAZZYHLSCTG-NEPJUHHUSA-N 560.296 7.842 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224320724 JLYZRZIZORGTQK-VIFPVBQESA-N 528.318 8.026 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccccc2Br)c(C)c1Br 2227353974 VMPQBKCRHFCYEQ-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508162 BQOPZVAOZVSJOC-LLVKDONJSA-N 542.707 8.310 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2232832392 AWFCYAANMFWXCW-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 2235607855 HJKYTIHYXDJBNZ-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2scc(Br)c2Br)c1 2263518584 GMRWEKPMXPBGCF-SECBINFHSA-N 582.775 7.477 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2282787567 RKAZSNONVARGJQ-GFCCVEGCSA-N 528.801 7.481 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2283580202 DDVVBHAPAUCGMT-NSHDSACASA-N 723.060 8.479 50 10 KKGE Fc1cc([C@H](Br)c2cc3sc(Br)cc3s2)c(Cl)cc1Br 2295413481 GOEMAZAGZMFXMP-ZDUSSCGKSA-N 519.480 7.765 50 10 KKGE CCN1CC(=Cc2ccc(Br)cc2)C2=C(C1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 2295976547 OOSZTDJGFNVZTJ-JOCHJYFZSA-N 527.260 5.692 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2297460337 CFXTYOHRRFSZPO-OAQYLSRUSA-N 528.848 6.712 50 10 KKGE CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1 2297486616 ITVPYDDKDGMVHX-LJQANCHMSA-N 534.410 5.537 50 10 KKGE COc1ccc(-c2nnc(SCC(O)=C(C#N)C(=O)NCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2297486940 YTBGAWVMFYXOHR-UHFFFAOYSA-N 532.025 5.340 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)NN=Cc1ccc(Cl)cc1Cl 2297640001 AUKGUCDDGHXXCA-HHHXNRCGSA-N 680.420 7.891 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2300954028 RIRGHGPPYMNISG-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c1 2313567130 GWVWLDVQHYWRBS-UHFFFAOYSA-N 516.439 5.592 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(F)cc1 2313568343 VBAQDJNMJASWCX-UHFFFAOYSA-N 550.428 5.432 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1 2313570671 COULYQUYCPLIDU-UHFFFAOYSA-N 668.156 8.214 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 2313667193 HDCXSVXAZASXPS-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(Cl)cc3)nc12 2314534064 XJAHDHUMPOBQCJ-UHFFFAOYSA-N 535.785 5.757 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314571334 DVCRTYAAGGFGQH-UHFFFAOYSA-N 507.958 7.442 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314616804 KCHFOEMYBJJTJW-UHFFFAOYSA-N 670.725 7.793 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314619092 ZPVSOVWSSJTDNJ-UHFFFAOYSA-N 566.702 6.290 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314620382 OUHSTVLIZOTTAB-UHFFFAOYSA-N 555.037 7.138 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634510 CAXFRJYXKHONCA-SANMLTNESA-N 523.372 5.848 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 2314731943 JYNZDNDPWWIKNA-UHFFFAOYSA-N 513.641 5.213 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 2314770687 QZAFRTBKEGGBKJ-UHFFFAOYSA-N 609.517 6.726 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 2331311443 HDUUIPNQDOVWFK-UHFFFAOYSA-N 520.394 5.365 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331390657 ZFYDPCVBGJXJSS-UHFFFAOYSA-N 507.999 5.982 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1C 2362443513 AXBIFDSPVVBEJJ-VIFPVBQESA-N 554.277 6.293 50 10 KKGE COc1ccc(C[C@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2364258431 MSJLXSVJHMYWFT-AWEZNQCLSA-N 527.876 6.661 50 10 KKGE Clc1ccc(CO[C@@H](CI)c2ccccc2Br)c(I)c1 2365645141 LEWSDKPDUOGIFV-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE O=C(CBr)c1cc(-c2cccc(I)c2)nc2c(Cl)cc(Cl)cc12 1726151 GHOYOUXVHWKFFR-UHFFFAOYSA-N 520.979 6.391 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1790157 VBTKEAZJMGCWOW-IQQNDYETSA-N 591.289 6.960 50 10 KKGE C=CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 2771715 MEYOTLHAJBSCRD-XDRVCWSLSA-N 517.423 6.628 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccc(F)cc1 6906934 KQMSPVQVRZEXFN-YVLHZVERSA-N 526.318 5.630 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)c1 33709764 CFEUXTUGQDRAEK-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE Cc1cccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCN(C(=O)C(C)(C)CCl)CC3)c2C)c1 34868635 LIPFBCFYIOVGNE-UHFFFAOYSA-N 512.481 5.964 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1 38660909 YZBMEGYEPLNWGJ-GDLZYMKVSA-N 504.542 6.315 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38684688 FCLOYWMIUPVQIE-VKGTZQKMSA-N 516.569 5.842 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38686135 AGMAIIJWQBFVKR-VKGTZQKMSA-N 516.569 5.986 50 10 KKGE O=C1/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc2N1CCc1ccccc1 59147369 OTIVUJFVRBAJNR-RMLRFSFXSA-N 506.444 5.075 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261215 FJNQHZAGRJDPCB-GENSETBDSA-N 527.138 5.919 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 100327204 DZVYKXGEKIYRPU-HSMHNTNPSA-N 576.285 5.763 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccco1 100883446 UUQKUOFDADBYEA-ULJHMMPZSA-N 535.003 6.588 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 101036749 JUCGIFLQDLHGPM-RUZDIDTESA-N 547.621 7.237 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101335054 JXYYGJUBTNHBPF-QHFGQAMDSA-N 540.623 5.964 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)c1 101369037 PKTCUFXFMSNKRH-XMMPIXPASA-N 521.367 5.294 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101372916 SPAZETQFDXPSIC-HHHXNRCGSA-N 549.421 5.831 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 101373866 MDPHRTQZVIJJAM-SSEXGKCCSA-N 544.604 5.475 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 101373999 IDFYOJQNTGVESW-XBBWARJSSA-N 546.595 5.994 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 101374231 ZTSOJKBYQFVLGS-GKLHMSILSA-N 531.008 6.220 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101386982 WYOOKMRQIFMYIW-PMERELPUSA-N 536.559 6.159 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1OC 101392658 QCQOMNAKINIVGH-DEOSSOPVSA-N 561.388 5.958 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101393694 FBFVYEGZIYZBED-AREMUKBSSA-N 585.468 8.438 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(C)cc6c5C)ccc43)cc2)cc1 101397436 PLMBKBRLDNEKQC-XIFFEERXSA-N 570.645 7.683 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399856 IEYZAVFDKAQCBJ-UUWRZZSWSA-N 618.661 7.912 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1 101727035 OVQHKNAWTICFID-WCMJOSRZSA-N 594.600 7.692 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102440121 XANSEXQENLKLAK-ZHZULCJRSA-N 527.558 6.614 50 10 KKGE N#C/C(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)=C1\NC(c2ccc(F)cc2)=CS1 102786090 QRQVEUWDFGQZEN-CLCOLTQESA-N 517.636 5.866 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(F)c1 103796929 PUWURMKZRWRLHE-ZSNJKBEMSA-N 612.499 7.706 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(Cl)cc1Cl 104998968 BSRPRZRCYKAKFD-QFSHWATDSA-N 511.472 7.503 50 10 KKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 105913049 ZJFQVVNPXOQXQH-BWAHOGKJSA-N 534.541 7.771 50 10 KKGE ClC1CCC(/N=C\C2CCC(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)CC1 108543105 IYQAFZFHCBDKKQ-GIBOGKFOSA-N 503.070 7.344 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccco4)s3)o2)cc1 109557046 IHJSDMAWZTVOEC-XLNRJJMWSA-N 535.581 7.156 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 111551388 AJAQKWMFKZGIDZ-AAGLEYSASA-N 562.686 7.052 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164648572 UZFSNMCMOPBAHM-IPBVOBEMSA-N 732.992 7.668 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205776320 GCCIFUPPMCBJJZ-LUNPLWTBSA-N 630.726 5.329 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Br)cc1 216776357 YBKVTTKOYDMVSU-ATJXCDBQSA-N 501.428 5.202 50 10 KKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1c[nH]c2ccccc12)C(=O)CCl 230275281 JCFWCPUOXNUXOZ-BYPCIHSKSA-N 500.470 5.867 50 10 KKGE CCOc1ccc([C@@H](Cl)c2cc(Br)ccc2I)c(Br)c1 233796279 BNUZDVXWBJNPCY-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE COc1cc(C=NNC(=O)c2ccncc2)cc(I)c1OCc1c(Cl)cccc1Cl 252605794 GLZIIMBRSYIOEF-UHFFFAOYSA-N 556.187 5.345 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 254479746 LOZUTTVIQJAYMQ-UHFFFAOYSA-N 586.600 6.059 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OC 254485199 JJKBBBWLGYKUPF-UHFFFAOYSA-N 510.666 5.243 50 10 KKGE Cc1ccccc1C[C@@H](C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1 254487721 IKPKNTTZAUGABT-MUUNZHRXSA-N 527.462 6.813 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1 254741321 XVQGACDUNNVYQE-NBGWXGMHSA-N 680.353 6.011 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccccc1O 254838281 JHKCVNCRMAUBAN-UHFFFAOYSA-N 513.667 5.878 50 10 KKGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 263625769 NDVZRODPOCBOBD-UHFFFAOYSA-N 586.443 5.037 50 10 KKGE Clc1cc(I)c(Oc2ccc(CBr)cn2)c(I)c1 310709931 BSNCJFFSEJMYPH-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C 725237394 FUVKOFYYHKWFJK-TVWSJYSCSA-N 550.973 8.285 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1083972450 BRGQAMSDMZFFBN-QFIPXVFZSA-N 555.425 5.119 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1084119727 XZYSYMAGPBUNEZ-UHFFFAOYSA-N 680.373 8.707 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 1084167040 UNQBIKPLAGDUBS-QHCPKHFHSA-N 592.861 5.886 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084167738 DGEYXCCYISRIPS-VWLOTQADSA-N 525.418 5.860 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 1084246457 GDQGDDFAMRPZOO-UHFFFAOYSA-N 647.031 6.192 50 10 KKGE COc1ccc(C(C)=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084529202 OZXQTAMYLYEYPY-UHFFFAOYSA-N 513.667 5.474 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(Br)ccc1O 1084619027 GDOWNNFPTJWXHD-SFHVURJKSA-N 506.194 5.378 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 1084635063 IPEAHQJMYBAUJF-DEOSSOPVSA-N 716.208 6.758 50 10 KKGE CS(=O)(=O)Oc1ccc(/C(=N/NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)cc2)cc1 1615944227 NQWDSXCOZNAJMW-ZTKZIYFRSA-N 546.354 5.925 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772719976 AQEKGGDOKFWJSY-UHFFFAOYSA-N 858.898 6.135 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc1OC 1772720841 ZDVPQYULSYLFBB-UHFFFAOYSA-N 531.392 5.539 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772751474 CRSKSKDXKRRPPE-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 1772754776 UWFFORSSLBSWIP-UHFFFAOYSA-N 543.063 6.783 50 10 KKGE C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 1848439805 IULGIUJMIIQLJO-TYDCERMNSA-N 526.966 10.974 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cccc(Br)c1 1865684766 XRLRTQFCSQQXIG-JOCHJYFZSA-N 501.359 5.718 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865690420 QRVZVQOASBTYCM-FQEVSTJZSA-N 502.924 6.001 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865695839 IACOLKNBXPGGFT-QHCPKHFHSA-N 544.549 6.275 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704977 JIAONYKRKOKDTC-NDEPHWFRSA-N 538.623 6.137 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712318 VNOYUGCHXWEUDQ-PMERELPUSA-N 534.660 6.478 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866126168 BNDROBDQWAKRBT-GHRIWEEISA-N 525.424 6.081 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccccc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866718378 UCNUXPMZZROAGX-NSOVKSMOSA-N 527.646 5.435 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867102398 HEDCSQBEHRUFLV-CUBQBAPOSA-N 549.737 6.976 50 10 KKGE C[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867205610 FKFMEEJRCPYAIV-HNNXBMFYSA-N 517.014 5.257 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868456445 OWSWXNUDKZCHBT-XMMPIXPASA-N 535.570 7.960 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)ccc2Br)c1Br 1877184415 RSDPJWZYIHWIAL-NSHDSACASA-N 515.869 5.754 50 10 KKGE O=C(N[C@H](CCSC[C@H]1C[C@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893204357 DCGSZQLPLDHQFO-XCGNWRKASA-N 504.446 5.275 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cocc1Br 1899876216 FSIJFQHTPWAUME-GOSISDBHSA-N 501.012 6.868 50 10 KKGE CC1(C)[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568917 NJPYQRUNOUXGLH-INEUFUBQSA-N 517.853 6.763 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924594349 MENLKHVRLKZNGL-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE CC1(C)C(C)(C)C1(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615223 XWAILQRTJIZSPG-QMMMGPOBSA-N 523.954 7.544 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)s1 1943902883 JNUNDPDQWNTCIG-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C[C@@H]1CC[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)O1 1998140316 JXBYLFZLFCSEKY-DSYKOEDSSA-N 511.899 6.429 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2sncc2Br)c1Br 2024282723 LRYMHUNGWDWVDR-JTQLQIEISA-N 504.867 6.223 50 10 KKGE C[C@@H]1C[C@]1(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782673 JVFAFIVWYOYWLV-LYBRREIPSA-N 558.703 6.921 50 10 KKGE C[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493562 DCULNXYOKYOUQF-DDZXGWPLSA-N 524.316 7.453 50 10 KKGE F[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472623 GMNUINSZQUSIDX-MVKOHCKWSA-N 586.757 7.701 50 10 KKGE FC1(F)CCC[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395118 LSYUFCUWVLTGGD-MUWHJKNJSA-N 560.296 7.842 50 10 KKGE Clc1cc(Cl)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404790 CKYRBKKELPKTQH-CYBMUJFWSA-N 587.158 8.372 50 10 KKGE CC1(C)C[C@@]1(Cl)[C@H](Br)c1c(Br)sc(Br)c1Br 2211991259 VYHQMGVUXVNWRM-LHLIQPBNSA-N 516.318 6.879 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1ccc(Br)cc1Br 2213773029 ILQVFYAPYDRBCJ-NSHDSACASA-N 503.879 6.828 50 10 KKGE COC[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@@H]1Br 2222476386 YNMCDAREQGSNFO-FXQIFTODSA-N 525.926 6.329 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)ccc1I 2225615686 KMVVALPTWXTIKE-ZDUSSCGKSA-N 627.709 7.202 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(C)c1Br 2227354938 LDSLLNSXFLLTJK-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2233974655 GKGLKLHXRDEWCZ-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1ccc(OCc2ccccc2)cc1 2234067024 LYIQRGVYSDDMEN-UHFFFAOYSA-N 506.625 6.868 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1sc(Br)cc1Br 2242670860 LTDBKRGEGZOCLE-LURJTMIESA-N 530.326 7.235 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 2294156034 GKEIFWALEIFFOQ-UHFFFAOYSA-N 570.487 7.380 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1ccccc1 2294510989 MKDOXTDCPADCOF-UHFFFAOYSA-N 500.860 6.132 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(F)c2)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2295176466 SJGOTJKONPZQER-UHFFFAOYSA-N 513.550 5.028 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)=Cc1ccc(C(C)C)cc1 2295979388 ALXBPNIHNYVJRL-UHFFFAOYSA-N 512.477 5.666 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296507088 SREWUJWEBUFOSB-RUZDIDTESA-N 562.489 5.243 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296642499 XPLYRNXFDKVZMT-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@@H]2CCO[C@@H]21 2312063734 AKSJBKVAIFXUJK-PAEGGXBQSA-N 524.272 6.051 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(I)cc1 2313570590 ANTOGSVLSFZSBM-UHFFFAOYSA-N 672.144 7.884 50 10 KKGE C=CCN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397461 PEADOGOBISYCDP-UHFFFAOYSA-N 536.868 6.162 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314476221 LATULERGBRVELH-UIOOFZCWSA-N 675.815 5.549 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C1 2314476385 NQJVJZDNONBYCG-GOTSBHOMSA-N 562.699 6.146 50 10 KKGE Cc1sc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1C 2314504136 ZUUIYIMLFKXGKA-LJQANCHMSA-N 545.134 7.953 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592002 JHXCNISLSCOQJX-XMMPIXPASA-N 537.563 6.087 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314611700 ZECYWEKLKAFVPE-UHFFFAOYSA-N 556.666 6.901 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 2314617326 VZHFXMBVROVWKN-UHFFFAOYSA-N 572.665 6.438 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 2314634476 WOOZXBYIGONFSW-WJOKGBTCSA-N 516.553 6.324 50 10 KKGE Cc1nc(I)c(I)n1-c1cc(Cl)c(F)cc1CBr 2315560397 OQAMCJZMHAXFEJ-UHFFFAOYSA-N 555.354 5.077 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(I)sn1 2317411574 WEEPQPZQMPJHLZ-JTQLQIEISA-N 525.406 6.048 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Cl)cc2I)c(Br)c1C 2317780050 YRIXUGFWRRYUAE-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE CCN(C[C@](C)(CBr)OCc1ccc(I)c(Br)c1)C(=O)OC(C)(C)C 2325365896 OZLOZZUHQNCBDQ-SFHVURJKSA-N 591.122 5.981 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331377523 HLOMDARLOGENQS-UHFFFAOYSA-N 509.971 5.350 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331377615 SPRLUFQEYDTISX-UHFFFAOYSA-N 512.031 6.001 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331453614 MGVDZUWIGKGLPU-UHFFFAOYSA-N 515.078 8.413 50 10 KKGE Clc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c(I)c1 2340045625 JRYBCNHBWYNZMK-ZDUSSCGKSA-N 534.844 6.992 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2sc(Cl)cc2I)c1 2364126617 HFKYUKWVFLYBFC-JTQLQIEISA-N 560.398 7.272 50 10 KKGE COc1ccc(C[C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2364192494 KRPCZACAAODOTK-NRFANRHFSA-N 510.653 7.322 50 10 KKGE O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(SSc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 3142997 FKRFZWAVVYGVKP-UHFFFAOYSA-N 598.574 5.904 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(OCc2ccccc2)cc1 14027859 JTNFAWMIPNTAKW-UHFFFAOYSA-N 505.368 5.021 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38660197 PCWXATHSUGRONS-MUUNZHRXSA-N 518.997 5.894 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(Cl)c5)ccc43)cc2)cc1 38686305 GJKQOHDQQRPZMY-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38687559 PHNHRUOUMLCWKE-LJAQVGFWSA-N 522.601 6.974 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 40530060 OKEKSZZXAJZGRH-PMERELPUSA-N 504.586 6.846 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCCc1ccccc1 40951040 FWUUEOUMEVCUQT-STBIYBPSSA-N 525.443 5.732 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 59305100 XEFDIYNBIKUWHU-KEIPNQJHSA-N 520.032 7.449 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1C#N 59333308 ZUZOIXBEENXVJX-TURZUDJPSA-N 518.617 5.130 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 100235974 AHTGVTGLYALPCZ-RQUFEXHESA-N 605.529 6.943 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339380 XZCZRDGZDCQBPS-RDRPBHBLSA-N 528.612 6.039 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 101367437 WRSVUFVNPSVHOK-PKHCJMHPSA-N 566.585 6.004 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)c1 101376302 BCFOMWYCYOTDTN-NWHOSPGDSA-N 536.672 7.390 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386111 RNZOWTZJNDLWSR-BKXKUFNLSA-N 599.470 7.418 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 101395399 HLMFYVAMIRRAQB-GDLZYMKVSA-N 617.496 7.519 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)c1 101599198 AOSBUKPEQRKHSC-MTDXEUNCSA-N 526.387 5.090 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601942 QONFNZAKUXJSQI-OCSSWDANSA-N 534.878 5.891 50 10 KKGE CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 102456741 WJRUQBHMWPLNEI-DBJYNHDPSA-N 511.647 6.103 50 10 KKGE CC(C)c1ccc(N/C(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)=C(/C#N)c2nc3ccccc3s2)cc1 102931697 UKGYCECQFILSHL-AOBLZIDKSA-N 565.749 7.979 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 103742959 UJRQDKYJSGAQHE-CTHAODRQSA-N 542.875 7.020 50 10 KKGE C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 103880016 ZDHONQFRGXPZJJ-WYMPLXKRSA-N 522.193 5.685 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cccs2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 104956590 RCEKUZYPWBGCKR-MWRNPHMMSA-N 538.667 7.367 50 10 KKGE CCOc1ccc2nc(SCC(=O)Nc3ccc(SSc4ccc(NC(=O)CSc5nc6ccc(OCC)cc6s5)cc4)cc3)sc2c1 150427214 QQEMIEZWUDPPQA-UHFFFAOYSA-N 751.040 9.964 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)cc1Br 161117913 KJODPZJLARDVDO-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 205664487 VGKINCKQQYXJHM-ZVSIZBEMSA-N 532.571 6.550 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 206196078 HTEDDOVWBBLQSA-IUUQDGFPSA-N 521.639 5.793 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214311791 FYVHKTIOQAWKFN-MZFJOGFUSA-N 591.671 6.614 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214399633 OEUAZYUWERWSHU-VEILYXNESA-N 603.635 5.690 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cc(Br)c(Br)s3)c1)OCC2 228442603 JMAMNCBXVAFKGV-NSHDSACASA-N 531.889 6.455 50 10 KKGE O=C(Nc1ccc(CCBr)cc1)c1cc(I)ccc1Br 232464569 CZFONASZOYUHSO-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253577271 WWBCQUZYYWHYQG-WUVSECCSSA-N 679.939 7.673 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 254403260 JLBAHXXAXRLACJ-UHFFFAOYSA-N 514.611 5.382 50 10 KKGE Cc1c(C=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 254519461 IDSPCXCUZSLXHH-UHFFFAOYSA-N 557.589 5.084 50 10 KKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254834575 LTKBSQAKKGVLCI-UHFFFAOYSA-N 574.305 7.134 50 10 KKGE Br[C@@H](c1cccc(OCc2ccccc2)c1)c1cc(I)cc2c1OCC2 312123676 XLWBHESQXNBLTG-NRFANRHFSA-N 521.192 6.289 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575332146 DGDYJRDKFZTURB-DMPHUCJGSA-N 942.140 9.465 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 616584466 GPLFLRPEMRRWIR-RABWXWOYSA-N 898.131 9.843 50 10 KKGE Fc1cc([C@H](Br)c2scc(Br)c2Br)c(F)cc1Br 705440354 ZBWPIHNCUMNYSQ-VIFPVBQESA-N 525.832 6.798 50 10 KKGE CC(C)COC(=O)N1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238442 IWTMXMQGHMUHOI-NRFANRHFSA-N 546.011 5.017 50 10 KKGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1cccc2ccccc12 1083902059 DWLDKUFURWUMSI-UHFFFAOYSA-N 505.368 5.659 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1083986893 RKZYJMPMTMHZCE-UHFFFAOYSA-N 529.640 7.113 50 10 KKGE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)c1C 1084032938 NZRRQDQUNWQIQB-AQTBWJFISA-N 539.257 5.016 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc2ccccc12 1084097021 SIDXVRCGPLRUTI-KOEQRZSOSA-N 557.477 8.398 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1084103756 WXEYJMSCXUAJSR-UHFFFAOYSA-N 531.834 6.243 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C 1084117805 YQABQYKTZJDTHP-UHFFFAOYSA-N 544.677 5.420 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084144924 AYDXKSYRAPGLBR-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 1084370518 NNFZKHOXMRXWGB-WOJGMQOQSA-N 504.368 5.641 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1084392959 VFFHUKOYNPXNAU-DEOSSOPVSA-N 501.410 5.935 50 10 KKGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084419639 CGQIXQUMLFETGH-UHFFFAOYSA-N 563.423 5.562 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1 1084589414 UODSSBOMZATMQN-UHFFFAOYSA-N 646.707 6.875 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@@H]4C(=O)NC(NC(=O)COc5ccc(C(C)(C)C)cc5)=N[C@H]43)[C@@H](OC(=O)COc3ccc(C(C)(C)C)cc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 1565534948 FYWQQKYFOAURRE-LNEQGNKKSA-N 908.255 6.973 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747567 JFACGQIAIQMJGC-UHFFFAOYSA-N 528.392 5.428 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(Cl)c5)c(C)c43)coc2c1 1772752000 QMHKTVMEMZZCFN-UHFFFAOYSA-N 503.986 6.256 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1772753684 BQRNGHZNWLIIQJ-UHFFFAOYSA-N 528.219 6.417 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865681043 CWQQEZLATOCCFT-QGZVFWFLSA-N 511.287 5.520 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OCC 1865687334 OUJKZKSZDADXJI-NRFANRHFSA-N 577.401 6.449 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688067 HZRCTGSNMGHOFT-HXUWFJFHSA-N 564.267 5.886 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865688470 SLJASJIEAGHKPH-RUZDIDTESA-N 546.549 6.395 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690396 QHOMFNRVNUWUOO-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695503 PAFWHPYCRVAWRK-HHHXNRCGSA-N 507.594 5.334 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865697033 UYTHRERRFWHNAF-SANMLTNESA-N 507.034 6.079 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697321 ZPKBGHQZBKZFDG-GOSISDBHSA-N 536.213 5.436 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705906 JBHRQIUEJFAENA-AREMUKBSSA-N 571.475 6.311 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707579 ZZBDAJJMGMQALL-MRXNPFEDSA-N 545.732 5.843 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713393 YAAPMUSIFCRLJO-QHCPKHFHSA-N 503.389 6.381 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714117 DARZGXLQUJFFGQ-QHCPKHFHSA-N 530.968 5.142 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C[C@H]1C 1868301345 OLYHXRMPOHOMGD-SZPZYZBQSA-N 502.688 5.704 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 1872747937 ZYEOBHGSKMMAOT-FTHSJVGUSA-N 515.034 7.947 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)cc2C1=O 1872758946 XZYTUXYZGRYQRJ-QOCHGBHMSA-N 509.971 5.054 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872790640 VPIHEOVHLDRVTN-SRZZPIQSSA-N 521.469 8.386 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595269 XCTQHRXPYNDECI-SECBINFHSA-N 558.742 7.780 50 10 KKGE FC(F)(F)C(F)(F)C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611624 CWQPJPNTFGGURW-UWTATZPHSA-N 545.785 7.059 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)s1 1948822693 GRQIOHVKQIJFCD-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cccc(Br)c1Br 2031479560 NJTXFYHLWYTOAO-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE Cc1ccc(NC(SCC(=O)N2c3ccccc3Sc3ccccc32)=C(C#N)c2nc3ccccc3s2)cc1 2053622940 WGQTUNBAQRZYRX-UHFFFAOYSA-N 562.745 8.472 50 10 KKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059264778 KPWPGJSHFFSXMO-UHFFFAOYSA-N 511.301 5.023 50 10 KKGE Cc1ccc([P@@]2(=Nc3ccc([N+](=O)[O-])cc3)c3c(c(C)n(-c4ccccc4)c3C)C=NN2c2ccccc2)o1 2059862282 QWUVYTJMKRSNMS-KDXMTYKHSA-N 535.544 7.157 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2ccc(F)cc2)[C@@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 2059889198 XXMINDVVBVJXLN-MDOFDWFASA-N 716.974 10.041 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 2137641201 CBIHFISDDYMNFI-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE C[C@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141471557 STPUMHLVPYAEIL-FZVNPBSJSA-N 538.343 7.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23CCC(CC2)O3)c1Br 2141473094 LAHKDAHLVZZVAW-BZCBFNEHSA-N 582.750 6.884 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 2141474547 BPTFGWNSQMCDAV-LURQLKTLSA-N 580.778 7.609 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Cl)c2cc(Br)sc2Br)c1 2172413386 WTGXHAXGOQEPLH-JTQLQIEISA-N 513.398 7.383 50 10 KKGE CC1(C)CC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC(C)(C)C1 2193417835 BYCIPXDBRRRURC-JTQLQIEISA-N 507.557 8.215 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206393900 CIEIERMFSBXQAA-SNVBAGLBSA-N 676.060 8.637 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206407367 BVZREZRLJBRHGG-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1ccc(I)c(Cl)c1 2208037043 RWJIADSPEJUOJS-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)sc2Br)c1 2217420817 KXHQKHJIZXSOAN-LLVKDONJSA-N 506.428 6.514 50 10 KKGE O=C(Cc1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2263483820 OGSVBDATCAZIAB-LJQANCHMSA-N 530.098 5.956 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)cc(C(C)C)c2)c1Br 2280669273 UIIFPNTUORUUQU-CYBMUJFWSA-N 545.960 7.952 50 10 KKGE COc1ccc([C@H](Br)c2ccc(C)c(I)c2)c(Br)c1Cl 2283550521 FYLHEVAQBXSPAE-CYBMUJFWSA-N 530.425 6.508 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1 2293198095 KGLQTILGAMAHNO-UHFFFAOYSA-N 564.594 5.718 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1OC 2293716063 WSOZUVCFHTVSTO-UHFFFAOYSA-N 554.559 5.102 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=CC(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2293775043 OOEFJWPTKXCMDU-IQRHXQLFSA-N 639.126 11.358 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 2294217771 NXBWGTWZLAALMH-UHFFFAOYSA-N 564.440 5.125 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 2296727001 FNKNGDZCAQPTKI-UHFFFAOYSA-N 535.007 5.536 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568838 ZDOVZBDMJNACLK-UHFFFAOYSA-N 542.466 6.981 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl 2313570838 HCTIPHAKNKQYFK-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE CC(NNC(=O)C(c1ccccc1)c1ccccc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313683337 XSKXFTSHEFTUIM-UHFFFAOYSA-N 531.572 5.073 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314450470 ZRDBCQLFZJCVRD-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)o2)cc1 2314456961 MSEGYDVTSLZCDP-UHFFFAOYSA-N 505.393 7.073 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C1 2314475715 AXZCVCWVIQATOB-PSWAGMNNSA-N 571.747 5.562 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(CC)cc1 2314594011 XMCVMSPKOCYPJA-NRFANRHFSA-N 519.976 5.650 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634740 DVEZHIOZFWHBNK-XIFFEERXSA-N 568.670 6.890 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314640604 ASGLIUOSLUOOFS-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 2314640731 SJUOBGOPSSPYFR-UUWRZZSWSA-N 591.107 8.053 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 2314643136 DSHICXMAVXRVOU-XIFFEERXSA-N 544.607 6.420 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1 2314755157 WIROGOBSMLYPKK-UHFFFAOYSA-N 519.579 6.143 50 10 KKGE ClCc1cc(Oc2cc(Br)cc(I)c2)ncc1Br 2316852702 HTTJOMKDAYXBQX-UHFFFAOYSA-N 503.359 5.742 50 10 KKGE N#CC(=C(O)c1ccccc1C(=O)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358815 QVGKHGGGUXNUKD-UHFFFAOYSA-N 500.579 7.783 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c(OCC)c1 2331389034 JQGPDFUZUIBQAP-UHFFFAOYSA-N 500.620 7.413 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OC 2331470078 DZTLPASKJGCERP-UHFFFAOYSA-N 506.668 7.639 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336037698 GLKCFNFTSFYDIU-LJQANCHMSA-N 515.072 8.014 50 10 KKGE CC1CCC(CI)(OCc2ccc(I)c(Br)c2)CC1 2350068823 RYGHOCGTLSCLSQ-UHFFFAOYSA-N 549.028 5.954 50 10 KKGE Cc1scc(CN(C)c2c(CBr)ccc(Br)c2Cl)c1Br 2369669041 HYOSSQQEBPFQBH-UHFFFAOYSA-N 502.497 6.766 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 3084941 HCWJEASGROYAPX-AJBULDERSA-N 547.080 5.762 50 10 KKGE CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O 30730506 GOJQFVQXKNNAAY-XQHLYSSHSA-N 568.886 11.312 50 10 KKGE in-vitro CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 38688713 VQCUYYOMDUZDHP-HHHXNRCGSA-N 510.546 5.894 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 40514507 DEJOOJQLSUWBKF-CVKSISIWSA-N 502.549 5.779 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(C(C)C)cc5)c(C)c43)coc2c1 40826908 KXKRWGLLXWQRTK-IWBSIUBASA-N 511.622 6.726 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1 58832861 KAHGVMGMQZLCOE-YDZHTSKRSA-N 507.590 7.177 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117465 NSWIHERYEKSWGS-LICLKQGHSA-N 502.195 6.881 50 10 KKGE COc1cc2ccccc2cc1C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59158960 PGHUDBGWQRAQNI-VBMGMRCRSA-N 511.581 6.119 50 10 KKGE COc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462977 DLHXVOZFOIZIGF-MNDYBZJGSA-N 509.440 6.332 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914782 YWFRWSWYYILOSO-UMFKEYKBSA-N 515.094 5.529 50 10 KKGE CC(C)Oc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100199452 CGJRCXAACCYLQH-UHFFFAOYSA-N 601.361 5.011 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(OCCCC)c(OC)c3)c(C)nc2C)cc1OC 100930433 FHSRGCBQBIHGFW-VQGAUUQYSA-N 603.720 5.601 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243398 MUIIKVJLPHCAPR-HVWBRVDTSA-N 564.538 7.420 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246779 JJMWETLZLQYNHB-OMBWOSJFSA-N 602.034 6.831 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101335636 ONFSABKJJRRRHO-VUTHCHCSSA-N 576.628 5.886 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101336502 HNIWDTQFEXOVMW-OGLMXYFKSA-N 545.668 6.229 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101371894 VDFYFDXYQYAXOZ-VWLOTQADSA-N 539.415 6.618 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101373714 DDWKZKJJYSVRCQ-LJAQVGFWSA-N 549.023 6.039 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384446 CXCQLLBJPHFAAO-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1Cl 101395820 LQCFBYJFOBVUAY-SSEXGKCCSA-N 625.549 8.043 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 103534692 QKNVVRIXCFAAPG-PIEWPDOQSA-N 582.869 11.119 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 103891083 BIDIMFJIPPJJDV-MOSHPQCFSA-N 552.255 8.034 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1Cl 104952104 UPNSILVUGPBDER-ZDLGFXPLSA-N 538.456 6.939 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151458 LPMLDNBCMSHEEO-ALQBTCKLSA-N 538.636 6.469 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1Br 130500018 SWAKYBWGMAUPOM-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)c(Br)c1 150418981 ZVDJLLJBTBIMGR-UHFFFAOYSA-N 635.378 5.110 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)ccc1O 164604524 YLGYJHQBNXJEKQ-HNSNBQBZSA-N 652.567 6.030 50 10 KKGE CCCCCCCCc1cc(CO)c(O)c(SSc2cc(CCCCCCCC)cc(CO)c2O)c1 206704131 KVUZOFGYXAIJGH-UHFFFAOYSA-N 534.828 8.688 50 10 KKGE CCCCCCCCCCCCC[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](Br)C(=O)OC 207650856 UTAZLJFKNZZADI-FGZHOGPDSA-N 504.531 5.971 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214315802 IRBNCDYDTJNULL-APQFFPOMSA-N 516.557 5.248 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 247533546 PPFHNIVPOLWPCF-WRTQPQOASA-N 541.071 6.075 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1OC 254632625 XXXDQPBTZNVDDP-UHFFFAOYSA-N 543.693 5.800 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cccc(I)c2)c1Br 312017922 UGYNVMKMQPIQGT-SECBINFHSA-N 525.953 6.618 50 10 KKGE O[C@]1(C(Cl)Cl)O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 380981690 ISTHNDHHKHNGJB-HSRRYOKASA-N 623.573 6.851 50 10 KKGE CC[C@@H]([C@H](C)OCc1ccccc1)N(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1 503898169 MILMVSZEAFFKIO-FKAPRUDGSA-N 603.764 6.376 50 10 KKGE COC(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12 575232453 RRAYXAMWYJUTBJ-FTWFSGMDSA-N 512.760 5.235 50 10 KKGE in-vitro COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)Cc2ccccc2)cc1 725395082 MHGQTGHWJFWVGP-UHFFFAOYSA-N 599.540 5.751 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CN5CCOCC5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 725414470 MZDBJADYUQTLOT-BZNBAONSSA-N 566.702 5.517 50 10 KKGE CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083817563 POFJFIPDEIUPPA-BEUHHTCXSA-N 789.121 7.120 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3C#N)cc2Br)cc1 1083909564 BJZSNNNMIYOHPK-AREMUKBSSA-N 580.479 5.661 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1083955353 WDYDWYBPACYEOY-PXLXIMEGSA-N 594.409 5.034 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084144704 MEXNLWYVZOWDKQ-LICLKQGHSA-N 638.245 7.030 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084151301 XUYCGQUSWMZQQO-UHFFFAOYSA-N 531.656 6.124 50 10 KKGE O=C(O)COc1ccc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Cl 1084190969 BMURCHPHTDSUQN-UHFFFAOYSA-N 550.014 6.692 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1084301074 QCCCAYBFCCGZLB-UHFFFAOYSA-N 579.678 5.773 50 10 KKGE Cc1ccc(COc2c(I)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 1084349115 YJLSAWCYENDDPV-UHFFFAOYSA-N 715.123 7.056 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 1084382554 NASADKZARCPNTQ-XMMPIXPASA-N 588.442 5.241 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(Br)c1OCc1ccccc1 1084513928 GFJSSOWVFWMEJB-UHFFFAOYSA-N 646.336 5.440 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1614356751 DNKLNMBHQWWNMD-VJQVYVLQSA-N 555.315 5.912 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc(Br)c1OC 1772719678 LGNSPFFUKNCYFY-UHFFFAOYSA-N 569.253 6.208 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1F 1772755028 HRDBULQXQCXUAF-UHFFFAOYSA-N 620.953 7.195 50 10 KKGE Cc1cnc2ccc3c(nc(Nc4nc5c(O)nc(N)nc5n4[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O4)n3C)c2n1 1848437932 JWWXEOUHIKUITH-XPWALMASSA-N 707.001 6.696 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865687513 STJDXHCEPNXROI-WJOKGBTCSA-N 556.666 7.488 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689057 IYXHGJQFHJHFHP-LJQANCHMSA-N 550.240 5.495 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689259 NYIQVZSSFHPSQP-QHCPKHFHSA-N 500.942 5.134 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865691135 KGSFOZCVYPNIJB-QGZVFWFLSA-N 550.335 5.064 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1 1865702861 HARJUUIANGNOKM-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865703012 KUPVFOKZWYHIKK-HHHXNRCGSA-N 576.484 6.722 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703158 OKMDYLGTYJINOR-PMERELPUSA-N 524.624 6.953 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1C 1865703296 SPHLSUFBCIZZFU-GDLZYMKVSA-N 541.051 6.398 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OC(=O)c1ccccc1 1865705125 MVYHVYOHQQUTAM-SANMLTNESA-N 544.970 5.478 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707455 XGFZOSSZQDGRRU-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710685 FCJNFEJEXBMJBA-QFIPXVFZSA-N 567.365 6.547 50 10 KKGE C[C@@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866713394 DGYTWVRZUFEMIR-DFBJGRDBSA-N 524.111 6.464 50 10 KKGE CC/C(=C\C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 1867114938 RCBQMEKNESUZAA-DHIVUKOYSA-N 550.478 6.320 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3ccc(OC)c(C)c3)CC2)n1 1868388067 DOLTZLWJKSDWCM-UHFFFAOYSA-N 501.656 6.162 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 1868545309 VDRNLJIXSDXWFO-SANMLTNESA-N 562.768 8.709 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 1872755047 VZOGOJIBYBJFKT-KZTWWEKUSA-N 503.624 6.010 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872790411 GOUUFXUZYWGMBC-FYJGNVAPSA-N 507.442 8.159 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3c(s2)CCSC3)c1Br 1924601289 WMSIVZQKMHUSIT-SECBINFHSA-N 568.013 7.371 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3sccc3c2)c1Br 1924604607 FFSHAIZDDMNSBM-JTQLQIEISA-N 545.941 7.735 50 10 KKGE Cc1c(Nc2ccc(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)cc2)c(=O)n(-c2ccccc2)n1C 2040837697 OXRJQDQTCKEQHU-UHFFFAOYSA-N 549.450 5.329 50 10 KKGE Oc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079242538 ZXYZPHMGIIORSN-UHFFFAOYSA-N 529.016 5.174 50 10 KKGE C[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085494969 OINXOOFDPZYYMX-VHWMUFPASA-N 578.709 7.464 50 10 KKGE Clc1cscc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497233 ZOQYFPDINJOLNJ-NSHDSACASA-N 558.742 7.780 50 10 KKGE CCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141469357 AFFCIARDJYGCBR-CYBMUJFWSA-N 582.794 8.143 50 10 KKGE C[C@]12CO[C@]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141472292 BVQCQEAWKCNUNO-RWMBFGLXSA-N 538.299 6.586 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)Cc2ccc(Br)cc2)c1Br 2201068074 DBNXFMJIYQOSGC-AWEZNQCLSA-N 525.904 7.270 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2225618434 ZEEBYEJEBXDOPH-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@H]1CC1(Br)Br 2233041052 RXDCTQDPTYYDKB-RNFRBKRXSA-N 505.863 6.258 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2248213269 LIVXNGWEVBIXNR-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1c(F)cccc1I 2267662394 COBSGBZATRAMFD-ZDUSSCGKSA-N 522.352 6.423 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1I 2269548567 WPYVJHRWHDKVIU-CQSZACIVSA-N 563.398 6.042 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1I 2296647832 HEZSBJFKLZKLQG-UHFFFAOYSA-N 651.482 5.502 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790141 RHYQZKRBCPYYQM-UHFFFAOYSA-N 545.686 7.442 50 10 KKGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1 2297456838 XKTNHYOIZGLPQM-UHFFFAOYSA-N 511.455 7.145 50 10 KKGE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 2297511212 OKNMWXYWNJIYFB-UHFFFAOYSA-N 540.000 6.674 50 10 KKGE CCOC(O)=C(C#N)[C@H](c1ccccc1F)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501663 JXNBDZWWPRADRK-GOTSBHOMSA-O 511.371 5.169 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc2c(c1)OCO2 2313566913 DGTRTFOTTIFGSF-UHFFFAOYSA-N 551.643 5.377 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592094 LTQHTZNQRGQOLK-LJAQVGFWSA-N 523.702 6.965 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592425 SYZGROJFFMZZNB-RUZDIDTESA-N 501.583 5.598 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314618246 KDGCQVYNICMLNC-UHFFFAOYSA-N 580.729 6.906 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 2314620388 PAAPRMIDTVMOAX-UHFFFAOYSA-N 577.084 7.164 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314640739 UWMZDDWSMVDFSM-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCCC)cc2OC)cc1OC 2314739081 YVRZMWNQXJERLR-UHFFFAOYSA-N 520.626 5.715 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1sccc1I 2316754474 IUVLNVDRYGJWKH-UHFFFAOYSA-N 566.878 6.352 50 10 KKGE BrCC(CBr)(Cc1sccc1I)c1cccc(Br)c1 2338749749 LYEGWLYOLXWCKS-UHFFFAOYSA-N 578.933 6.386 50 10 KKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)c1ccc(Br)cc1 2349841682 KJAOQHWCCIHWPY-GFCCVEGCSA-N 558.877 6.537 50 10 KKGE Fc1cccc([C@H](CI)OCc2ccc(Cl)cc2I)c1 2365645386 NKISXWYGCKZNCE-HNNXBMFYSA-N 516.519 5.777 50 10 KKGE BrCc1c(OCc2ccc(I)c(Br)c2)nc2sccn12 2377614784 ABRUKCPPHPXCHO-UHFFFAOYSA-N 528.007 5.237 50 10 KKGE BrCC(CBr)(Cc1ncc(I)cn1)c1ccccc1Br 2381296248 RPOPSVHCNXTGIX-UHFFFAOYSA-N 574.880 5.114 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 29491746 HGJKUBJSEBHACY-COPVCGRZSA-N 609.752 6.150 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 38198763 QJOCMPRNZSXIGN-XSFVSMFZSA-N 502.592 5.547 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655578 QJYFZXKJUWIBQW-ODCWNRFASA-N 509.389 6.147 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c(OC)c1 38657161 UYZRCKOJCJOPGI-MUUNZHRXSA-N 500.551 5.030 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38687520 CKAPLPKWSZEMJV-NDEPHWFRSA-N 508.574 6.584 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811686 LIJINNVFGBDYBB-OVVQPSECSA-N 500.780 5.727 50 10 KKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 40926900 PQGJPQITMIROLO-RHLTYPCLSA-N 500.551 5.309 50 10 KKGE N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1)c1nc2ccccc2[nH]1 50568342 SLNJANPDVIELKC-WJDWOHSUSA-N 507.775 6.060 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3C)o2)ccc1Br 58832773 QBPCDHHNZKZBFC-RVDMUPIBSA-N 500.190 6.634 50 10 KKGE C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc([N+](=O)[O-])cc1 100062013 DDUQJHLBBPCVQO-FMCGGJTJSA-N 521.165 5.192 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)N1c2ccccc2Sc2ccccc21 100104954 LKNRZVVBDKIYLG-UHFFFAOYSA-N 599.304 6.787 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101295898 IKYKQYQCTPFTBT-MHZLTWQESA-N 526.976 6.705 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1Cl 101335625 HMEXIABWDDGCHT-HZHRSRAPSA-N 531.012 5.220 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381817 IHXYWBVWLRUJIJ-YTTGMZPUSA-N 532.596 6.031 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383692 YNTAXNHUHXXQCH-KHBSKBJESA-N 552.989 6.895 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1F 101388877 UOYHBMOOFKSPDB-MGBGTMOVSA-N 580.612 6.314 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)oc2ccc(Br)cc12 101393959 QDLZVRBRIPGEKT-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399077 BCFCDGJOWAXQLQ-UMSFTDKQSA-N 600.671 7.691 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCCc1ccccc1 101712977 LSXIHZIBHHEOMB-UXHLAJHPSA-N 539.470 5.906 50 10 KKGE CCCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 101727053 GYFIYEHLVCYAJR-JFLMPSFJSA-N 562.555 6.783 50 10 KKGE COc1cccc(OCCOc2ccc(Br)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c1 102466587 FNIVDFMDWLHFLJ-STZFKDTASA-N 507.384 5.139 50 10 KKGE COc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 102779184 HKAFRWWMXCFRHU-UUASQNMZSA-N 563.239 5.050 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)sc2c1CCCC2 102847221 TWPYENJYJFICPK-VLGSPTGOSA-N 570.627 5.158 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 102849693 XSBQDZJOCRQRCQ-UYRXBGFRSA-N 587.249 5.350 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102933097 UJNNNTFIOMYNMN-VIZOYTHASA-N 537.186 7.333 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Cl)c(Cl)c1 102933310 CTPRBBOAYJMDJQ-MFOYZWKCSA-N 528.348 6.131 50 10 KKGE COc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 103191768 RKXZVWYMSYSDGX-QFIPXVFZSA-N 585.170 5.265 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103741893 WAAIGPJHOQMXEX-VECHRTTRSA-N 566.908 5.888 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1 103796891 RCWSXOSYALYNPL-JFLMPSFJSA-N 540.357 5.779 50 10 KKGE O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105062897 IQUXIIGGEMHZOZ-XZYGTATASA-N 569.444 7.709 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105067076 QUWZUMMJDPIDDU-KPGMTVGESA-N 584.297 7.678 50 10 KKGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151491 IUKBCSGKOHLIDF-VTNSRFBWSA-N 556.655 5.397 50 10 KKGE CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 105443233 OMQNKAIBLFSOGM-IJVBRLQXSA-N 537.019 6.092 50 10 KKGE Brc1ccc(C[C@H](Br)c2cc(Br)sc2Br)cc1 109870217 IVPFSDDMCDQUEW-JTQLQIEISA-N 503.879 6.714 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 150486217 KDPUFLWQJGWZFQ-WJOKGBTCSA-N 639.576 8.577 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCCC(C)C 205776812 WTAAFEFJBZOTLJ-XHELQMPHSA-N 660.796 6.189 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 206196116 HTEDDOVWBBLQSA-DSWROXKMSA-N 521.639 5.793 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccccc3OS(=O)(=O)c3ccccc3)cc2)cc1 252623861 PBAQQOQWNMPRQT-UHFFFAOYSA-N 500.576 5.106 50 10 KKGE Cc1ccsc1C=NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 254304235 FGFRLCDHVSJZDV-YOEHRIQHSA-N 501.456 5.452 50 10 KKGE CC(C)(C)c1ccc(-c2cc(C(=O)NN=Cc3ccc(-c4cccc(Cl)c4)o3)c3ccccc3n2)cc1 254380171 IFRSAQJDFJLTSJ-UHFFFAOYSA-N 508.021 7.877 50 10 KKGE COc1ccc2c(Cl)c(C(=O)NN=C(C)c3cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c3)sc2c1 254677318 GPZAXATYOQOURD-UHFFFAOYSA-N 569.886 6.489 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 254707417 ZNEMHQYNEMPROK-DDTOLQKZSA-N 562.795 9.026 50 10 KKGE C[C@H]1C[C@@H](C)CN(C(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)C1 256022822 ONDBTBALYALFPH-XTUVOZTNSA-N 500.113 5.177 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@]3(CC[C@]4(OO3)[C@H]3CC[C@@H]([C@@H](C)CC[C@H](C)C(C)C)[C@@]3(C)C[C@H](O)[C@]42O)C1 263626150 OPAXDOLIIPLMGB-PAWMKYCJSA-N 506.724 5.578 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146243 CYABQVXMGTVARC-YJWLTODXSA-N 845.308 9.000 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1OC 725412817 PDQSGPCJUYWZOI-UHFFFAOYSA-N 639.572 5.215 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 1081708899 UQDVWHSEGYSXSW-UHFFFAOYSA-N 634.943 6.520 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1083914238 BJAXQLIHURLEAM-UHFFFAOYSA-N 547.084 5.551 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083953715 WTBDKRDCPUXCPN-YRNVUSSQSA-N 528.642 7.699 50 10 KKGE CCCCc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084140335 HYODSDZTSANJMC-UHFFFAOYSA-N 528.700 7.967 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 1084482632 DQGKXPNRVJGSFX-BOPFTXTBSA-N 546.646 6.990 50 10 KKGE C/C(=N\NC(=O)[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526636 VDGYFRFEYKRYKQ-HXPKSONRSA-N 836.028 5.932 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCCc3ccccc3)c(OC)c2)c(Br)c1 1772756436 YLVQQSHYSLZLFE-UHFFFAOYSA-N 525.443 5.561 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434898 RGULCXDJBDOAKJ-MAVZFAJHSA-N 635.352 5.642 50 10 KKGE Cc1ccc([C@@H]2O[C@H]3CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]3[C@@H](O)[C@@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 1848441208 LDLOCXSNSCGETM-AEZBWTHASA-N 584.826 7.073 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865687451 RNXFXJSOCXHIOL-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688163 LRAMAKLVGHVQLW-QHCPKHFHSA-N 531.410 5.673 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865690881 DFYHIBPLLBQSSA-VWLOTQADSA-N 545.426 6.638 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865690917 DYMYMFJOAYTKEY-LJAQVGFWSA-N 534.660 7.034 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865692303 DSPNWGRZFIAPDQ-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695334 NTINBRPVNNZUDP-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696161 XTOQEUYSHNEKCW-SANMLTNESA-N 507.594 5.730 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1OC(C)C 1865696563 HPDVDSSAWQBYGV-HXUWFJFHSA-N 518.923 5.618 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865701770 DWIRUVOENJXHTM-FQEVSTJZSA-N 501.940 5.668 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865702143 NTNYYJJZGVSJBM-SANMLTNESA-N 510.041 6.316 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865703295 SNPIXQVCZZGMDG-SANMLTNESA-N 560.576 6.704 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703416 VJLPYIMABLDHEW-AREMUKBSSA-N 514.988 6.083 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706618 AVLUWZOHCHLLBR-HSZRJFAPSA-N 567.404 5.985 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711196 RYIPWBCYRZEMIZ-HSZRJFAPSA-N 503.389 6.381 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712126 PZCABQPRVQYUON-PMERELPUSA-N 575.068 7.058 50 10 KKGE Cc1ccc(/C(=C/C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866688208 QCXHNMXQEKDFQO-ITQMKJDXSA-N 513.638 6.175 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCCc2ccccc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867122316 WXSZHQWTXKFSEB-HHHXNRCGSA-N 515.635 5.182 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 1872750804 LJBPJYUELCJQDB-LCUIJRPUSA-N 511.647 6.986 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 1872782565 NUHFZQNAJMRDEU-LPYMAVHISA-N 517.448 7.711 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054246 CIGCGRPJUOKQIN-CAHLUQPWSA-N 501.487 5.330 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3c(c2)OCCO3)c1Br 1924599958 NUGSDAIWTMHSPH-SNVBAGLBSA-N 547.888 6.291 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 1950319105 CWTOGIITQMNMGU-IBGZPJMESA-N 531.107 7.645 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2(Br)CCC2)c1Br 1960907472 WFYZVBIDTUYGSD-LURJTMIESA-N 546.742 6.789 50 10 KKGE CC1(CC[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085500889 SIXUBKHDAUSIJN-SSDOTTSWSA-N 568.767 7.753 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2csc(Br)c2Br)cc1Cl 2093941812 CMWZDSDDZRUBAT-JTQLQIEISA-N 509.872 7.073 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)c(F)c1Cl 2136954975 JPTDKICRMFFYRI-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE FC1(F)CCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477610 SGJGVZBLWOLHCH-ULHQUTTKSA-N 546.269 7.452 50 10 KKGE Cc1c(Br)c(COc2c(Br)cc(Br)cc2CBr)nn1C 2150234331 JQQYDBOBPKYPII-UHFFFAOYSA-N 531.868 5.490 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(Br)cc2Br)s1 2211912340 LKYFQYDPXUPTFF-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CC(C)N1C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2216395389 QNYZRLGEEHEYNQ-RQJHMYQMSA-N 510.915 5.607 50 10 KKGE CO[C@@H]1CC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2220513102 IEWKZDWXZPXHRZ-MVISFBTESA-N 526.288 6.442 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(I)ccc1Br 2277954653 FIFGAISUCIBKQX-AWEZNQCLSA-N 579.295 7.101 50 10 KKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1I 2277957818 XHCDUWICYNTDKP-AWEZNQCLSA-N 558.877 6.803 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1Br 2288499344 SHQFHFGNSTWRJC-NSHDSACASA-N 598.699 7.499 50 10 KKGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)NN=CC(Br)=Cc1ccccc1 2293273328 HNWYORVBNAWWTL-UHFFFAOYSA-N 597.336 6.327 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2 2296833107 BYDRTCBRSXXQBR-UHFFFAOYSA-N 554.024 6.951 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1Cl 2297322000 IOKHPYSMJDVKKI-UHFFFAOYSA-N 512.791 5.032 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1 2297551380 GXCLTUSSGIFERW-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 2313568225 PUNTVTNOJGVACG-UHFFFAOYSA-N 664.237 6.027 50 10 KKGE Clc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Cl 2314501100 UHDHUNNXWYFZQZ-IBGZPJMESA-N 501.045 7.819 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593065 GUWDGITZISDICP-JOCHJYFZSA-N 526.445 5.891 50 10 KKGE CC(C)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593162 INFFHFSXRAXTPR-JHOBJCJYSA-N 537.729 7.237 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314617223 TYKFAIONVJZNQN-UHFFFAOYSA-N 529.556 5.282 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 2314618171 IMWAPRGMYANQJN-UHFFFAOYSA-N 547.590 5.655 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1Br 2316598850 IRHLRRQYVTYAAP-LLVKDONJSA-N 522.427 6.262 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 2331255832 FFTXKNPEYNOJTP-QFIPXVFZSA-N 515.635 6.175 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2336039985 BPDHATCGAIHOOI-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE COC[C@@H]1CC[C@H](Cc2ccc(I)c(Br)c2)C[C@H]1Br 2349807630 JJRPVKMBBRIPPI-KGYLQXTDSA-N 502.028 5.422 50 10 KKGE Cn1nc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1Cl 2360423299 XIWNRWFDADHQRP-ZETCQYMHSA-N 530.244 6.529 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362241576 YCUYIJWHTFNFFM-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE CCN(C[C@](C)(CBr)OCCc1ccc(OC)cc1Br)C(=O)OC(C)(C)C 2364697206 WBFSKEWHPNKDEC-FQEVSTJZSA-N 509.279 5.427 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1ccc(I)cc1)CCCO2 2369616589 SMIDFYNGKNEFCS-INIZCTEOSA-N 507.991 5.863 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 3214276 VEDLXEQXTINSBB-UHFFFAOYSA-N 595.681 5.511 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 6167479 XRLRTKDYJNZBAJ-RZPZKFHESA-N 607.729 5.627 50 10 KKGE CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)NN=Cc1cc(I)c(OCc2ccc(C#N)cc2)c(I)c1 8451711 DWHGAGJAFNWXDC-XMMPIXPASA-N 726.378 5.242 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(Br)c1 14661757 KNFWATWSQLFXKS-UHFFFAOYSA-N 533.507 5.773 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 29503144 MGEAAVSBTFYBMO-YYADALCUSA-N 595.725 6.048 50 10 KKGE COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)cc1Cl 32522897 XDLRLZCOVOVBLC-KKMKTNMSSA-N 515.422 5.700 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 38605564 DXYGFTYVUFHIPN-WPWMEQJKSA-N 524.690 6.680 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38659610 YTOKFBVFHJCRJL-GDLZYMKVSA-N 528.605 5.594 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38660069 AHOUCNDEUKTILR-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OC)c2)cc1 38660149 NQIVEDGZVVEPOW-LJAQVGFWSA-N 526.589 5.876 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38684735 HEIBSPOQANBQHW-MUUNZHRXSA-N 502.998 6.131 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 38686505 LNKSGCKMFQXUPN-LJAQVGFWSA-N 504.542 5.712 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2)c1cccc(C)c1 40826750 ROHOUTSZAUJVFM-WGPBWIAQSA-N 511.622 6.325 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 59117388 JQBXENUEAIHGDF-WQRHYEAKSA-N 501.797 7.170 50 10 KKGE COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 59304852 NQZGUPQULDAJKQ-RPPGKUMJSA-N 500.780 6.029 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 100078418 SMCFHWGVFJGPRE-UHFFFAOYSA-N 564.711 5.704 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100192362 JNUOBDAHTGQSIO-UHFFFAOYSA-N 566.496 6.109 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207251 YOTNNKMEKLSCEC-UHFFFAOYSA-N 604.526 5.452 50 10 KKGE Cc1nc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)sc1C 100869414 UYACKOPGHIHOAE-ULKVUYOBSA-N 515.109 5.384 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 101083798 MRSAJDPPUGDIOC-LZYBPNLTSA-N 534.535 5.165 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241193 JHKXXIMYMZQZGK-BUPOLARFSA-N 525.674 5.951 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101337943 BQVCEOILWNHSBF-CPUXBYDOSA-N 517.412 6.926 50 10 KKGE O=C(N/C(C(=O)N1CCCCC1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 101363197 XMWBCSCIHQKJRR-NVQSTNCTSA-N 534.596 5.812 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 101363617 VHUYSTPGAJVIOR-MRDQGFSESA-N 533.422 6.164 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378877 MPZASWNUFLQZRP-PVAZPRTOSA-N 560.650 6.728 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380340 YKRKBFHXMWAZJX-HKBQPEDESA-N 550.586 6.224 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381798 OHEJWZKFAGGEEC-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382601 AEKADFLQUVCERG-HKBQPEDESA-N 565.069 7.654 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101393226 XVXMFDJVEBGMFP-LJAQVGFWSA-N 617.496 7.519 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)CC1 101399893 NMLNSVOTLYWUJL-WWYQIRGOSA-N 598.715 7.924 50 10 KKGE CCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 101699150 YPYNVVMGELEPQE-CKPCLRFGSA-N 538.825 7.193 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](Cl)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC 101925462 YIBKQEBBFRFJMH-XSZFGFPMSA-N 633.398 12.083 50 10 KKGE in-vitro CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 102557867 AVSWQYUQSCTRAF-NZCCEVMUSA-N 559.713 7.282 50 10 KKGE N#C/C(C(=O)Nc1ccccc1Cl)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 102666259 BLFXGIMTHXWAFI-BOJFNEGLSA-N 528.848 6.712 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)S(=O)(=O)c1ccc(Br)cc1 102853094 VFZYLCGSNQEUPS-ZHZULCJRSA-N 536.407 5.205 50 10 KKGE COc1ccc2cc(/C=C(/C#N)c3nc(-c4cc5c(ccc6ccccc65)oc4=O)cs3)c(Cl)nc2c1 103763852 OUJOFCUBQHSNNR-ODLFYWEKSA-N 521.985 7.344 50 10 KKGE CC(C)(C)C1=C/C(=C2\N=C(I)C(I)=C2I)SS1 103833086 VAWNEOMPARAEFC-WEVVVXLNSA-N 601.054 6.452 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Br)cc1F 103878773 IRSKOXOPDHLFSO-KBKYJPHKSA-N 533.195 6.268 50 10 KKGE COc1cc2ccccc2cc1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104989450 KLJFKPKMMLOMHZ-BXVZCJGGSA-N 528.406 5.334 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 105057684 ZFJFVUIJDZBPOE-MHDJOFBISA-N 612.307 7.626 50 10 KKGE COC(=O)c1ccccc1NC(=O)/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 109812000 QLCSNTSLUNTLBO-MHTZHOPKSA-O 585.620 5.677 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1Br 109844725 WDACYRHCORILQT-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 128870221 ZLBWVZSCHPRUPV-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 164645313 LPDMOQYPRRVHQT-KCSSXMTESA-N 637.474 5.772 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214339683 LKHKFTHOIMQONM-FDBLIDTOSA-N 608.673 7.611 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214365942 WZTQGBOZCCINRD-PVWQUUJCSA-N 623.779 5.885 50 10 KKGE Clc1cnccc1C[C@H](Br)c1cc(I)ccc1Br 236036627 MLUSCSZPVQUKOK-LBPRGKRZSA-N 501.387 5.781 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)N[C@H]2CCCC[C@H]2C)c2ccc(Cl)cc2)cc1OC 252584380 ADEBGCPTCVGTOS-HYWYFEKYSA-N 521.485 5.403 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 252597574 CSZAVTMVRCMFLD-UHFFFAOYSA-N 592.728 7.581 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2ccccc2)cc1 254441402 OMYRMDRVBAXSJC-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(-c2ccccc2)cc1 254700595 UEQWLCVFFLKOMO-UHFFFAOYSA-N 540.739 7.283 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)n2-c2ccc(C)cc2)cc1 254836863 LIKKRMYBOWVGRN-KPVCSSHASA-N 562.493 5.881 50 10 KKGE CCC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 256068648 KVVLTROOHMLHLQ-GZYDORRUSA-N 649.074 9.369 50 10 KKGE CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CCCCCCCCCBr)CC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 504198409 MQMZNCMIENHRBS-CPZWGHOWSA-N 521.580 7.802 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 575229549 XOHRAGVYVNTJQV-GEIIOTBESA-N 600.788 5.606 50 10 KKGE in-vitro C=C1C[C@@H](C[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4/C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4=C)CCC[C@@]32C)OC1=O 725238672 WFGUBGPSKYJKSW-MCVKFATRSA-N 655.125 11.084 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2cccc(Cl)c2)cc1)c1cccc(Cl)c1Cl 725408689 UHXKEBMDCIFIDI-UHFFFAOYSA-N 510.830 5.377 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 725409655 NDSPMRSUTOLCPR-UHFFFAOYSA-N 556.732 5.403 50 10 KKGE COc1cc(SC)c(OC)cc1C=NNC(=O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 888105380 GVSWLKQXDCACEA-UHFFFAOYSA-N 543.670 5.538 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817650 WUUPISRMPWBNRI-VXBBPKGTSA-N 744.913 6.611 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1083895541 PVIJVVPLKKBSGI-WLRTZDKTSA-N 533.047 6.093 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccc(C)cc1 1083917595 BTJYTQHYNOPCMS-UHFFFAOYSA-N 518.411 5.900 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c1 1083959628 YOTJKMWCLSJOMD-UHFFFAOYSA-N 504.377 5.087 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)c2cc(Cl)cc(Cl)c2)cc1 1084083838 SXMSDRRWZKBPHX-UHFFFAOYSA-N 576.505 6.954 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1 1084174728 RHOLMHJKWQVFOW-UHFFFAOYSA-N 704.406 8.471 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084216217 VWWGSVHPCWOBAZ-UHFFFAOYSA-N 521.404 6.282 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 1084330773 ICSYRVNUJBEXRN-UHFFFAOYSA-N 664.769 6.998 50 10 KKGE O=C(NN=C1c2ccccc2C[C@H]1NC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1088674929 IURQQVRYJJESLV-HXUWFJFHSA-N 502.880 5.119 50 10 KKGE CC(C)C[C@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1614020216 HNTMZFODITYYFN-KPFRJCAQSA-N 564.967 6.748 50 10 KKGE CCN(CC)c1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 1614706323 VHLMESSWFHPBKR-WIYYLYMNSA-N 508.400 5.026 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1772719699 NEZOMCZRBJJBFF-UHFFFAOYSA-N 536.028 5.398 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 1772752411 HVAQAAFJVNMLTH-UHFFFAOYSA-N 610.980 7.262 50 10 KKGE CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848435374 OXBGDEZMRZAZQA-OSOLKRESSA-N 695.277 6.580 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682744 WSRVEFSGLRXUQY-RUZDIDTESA-N 511.025 6.717 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865689561 SMRATNFQHXIODW-MRXNPFEDSA-N 515.706 5.834 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865693758 YJXUGLJEZIGHQN-NRFANRHFSA-N 523.431 5.738 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865694332 TXISWWMTFQLALW-NDEPHWFRSA-N 561.469 6.743 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703087 MTLDXZQFOQSJPA-SSEXGKCCSA-N 518.661 6.606 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703405 VGNWGMAKBNIPBF-WJOKGBTCSA-N 570.649 6.662 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704033 LEGHVEJSTUJVKU-SANMLTNESA-N 514.988 6.083 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865704049 LKJCQLNQCSQWFP-YTTGMZPUSA-N 577.644 6.893 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705627 AHWVYCGYHRFCGF-OAQYLSRUSA-N 504.333 5.972 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707301 SWJONAMAWIBOBK-LJAQVGFWSA-N 503.650 6.047 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(OC)c1O 1865714095 CJQUMANDZGIWHX-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)cc1 1868365521 RENBITNWPGQFCI-UHFFFAOYSA-N 536.705 6.224 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)[C@@H]2CC(C)C 1868365740 VXZOXTDGJMBNFR-MUUNZHRXSA-N 505.691 7.919 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 1872745907 JFLQBRSQUWIDFI-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)n1 1872747251 UTYJSNFEVJBNLR-ROMGYVFFSA-N 507.571 6.186 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872754875 MYSIIALQOZHRHF-WGCOJADFSA-N 510.015 5.943 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 1873499184 ISFWSBFCFKSZGH-HUZSXYRPSA-N 502.011 5.025 50 10 KKGE CC1(C)CO[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615082 WEWUNMAXOLERNL-NKWVEPMBSA-N 525.926 6.677 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1F 2025779654 KGMHMPFIZRVKGX-CYUDJLOBSA-N 514.252 6.765 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2025780159 PMCASAUAWPHYOA-UTNXVAPVSA-N 511.277 5.754 50 10 KKGE FC1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2025780806 XVFVYZZUIQYFDV-UTNXVAPVSA-N 514.252 6.765 50 10 KKGE Cc1cocc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493778 GWFVPQSNUWOCKM-SNVBAGLBSA-N 566.707 7.122 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085494119 KEUIFEUSKHCCDE-RYUDHWBXSA-N 570.739 6.599 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(I)ccc1Br 2137649513 XYHOSQMHORYHIR-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE C[C@H](CC(C)(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467643 ACJODSQUZYLLEK-UHLUBPPHSA-N 540.359 8.089 50 10 KKGE Fc1ccc(F)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397849 NLZNXEAMWZVYOW-CYBMUJFWSA-N 554.248 7.343 50 10 KKGE COC1(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206398538 WDSYIEMKHBPDRH-SNVBAGLBSA-N 554.342 7.366 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2207261876 ODQUNKDJVBCQAZ-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)sc2Br)c1 2217420818 KXHQKHJIZXSOAN-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232513641 XYGUKQYOJBKONA-LLVKDONJSA-N 569.289 7.807 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)c(Cl)c1Cl 2232518969 IDYGJGSAHAFIBI-LLVKDONJSA-N 542.707 8.263 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCCN1Cc1ccccc1 2234064840 GYGMRBJTQJICQM-INIZCTEOSA-N 511.689 6.007 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)Cc2ccccc2I)c(C)c1Br 2235612475 OZJDQHQVLZYAMO-ZDUSSCGKSA-N 528.453 6.956 50 10 KKGE COc1ccc([C@@H](Br)c2c(F)cccc2I)cc1I 2269536612 ZMOYOVZWKQYKRE-CQSZACIVSA-N 546.943 5.528 50 10 KKGE Fc1cccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1I 2277964683 GTKJZVOYDUIXDI-LBPRGKRZSA-N 518.389 6.478 50 10 KKGE COc1cc(OC)c([C@H](Br)c2scc(Br)c2Br)cc1Cl 2279138570 ZUPFJCWKAQCDQL-NSHDSACASA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)c(C)c1F 2279138579 ZWNXTAWVZVVQOS-AWEZNQCLSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1c(Br)cccc1Br 2288479820 ATYUZPHJDZPIIQ-LBPRGKRZSA-N 554.248 7.343 50 10 KKGE CCOc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 2294609570 DABWLMQNWNKOSJ-UHFFFAOYSA-N 532.774 6.607 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 2296555040 LIXOWXXIBOIXEJ-UHFFFAOYSA-N 502.684 6.484 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1 2313567365 JLZKOSVBLKQEMR-UHFFFAOYSA-N 560.467 6.151 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567756 OEAOFRUZNWXKSJ-UHFFFAOYSA-N 546.421 5.013 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567903 PHWXCALQNKISKH-UHFFFAOYSA-N 571.302 6.591 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571405 VQDGZJFLLAADHF-UHFFFAOYSA-N 586.700 8.687 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314488336 NNGJETMRGBHNSJ-UHFFFAOYSA-N 551.967 7.955 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592524 WJUKRJYBPRMUBK-VWLOTQADSA-N 578.488 5.921 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592597 YJAPHNHINPEIJN-MUUNZHRXSA-N 525.674 6.500 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 2314619549 BBVWONASUUCSLN-UHFFFAOYSA-N 532.575 5.788 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314640786 ZKESIUGABUCWPS-GDLZYMKVSA-N 549.454 7.399 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc1OC 2320488234 NIFAPZSQAOFPDT-UHFFFAOYSA-N 548.690 5.592 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 2331305733 NLXOQEPPUZIEEB-UHFFFAOYSA-N 510.369 5.060 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)c2ccccc2)cc1 2331390362 BJGGZBWKLZDFFU-UHFFFAOYSA-N 515.034 7.823 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 2331477289 FKVCDMCHDARSIN-UHFFFAOYSA-N 525.512 8.140 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360434407 ISMZCEYLOVVKFC-GFCCVEGCSA-N 508.383 7.136 50 10 KKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(I)c1 2362238783 WNSUCYBKXQSQNM-NSHDSACASA-N 601.248 7.232 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)c(Cl)cc2Cl)c1Br 2379737671 ULZSDQAGIZKORL-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38682905 GIHDKBCTJNGXDK-DNOBIOAJSA-N 502.542 5.596 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38682911 GIHDKBCTJNGXDK-XRHLQHRESA-N 502.542 5.596 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCCC)c2)c1 38685213 ZZHLSMOOPXSDLQ-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 38686385 RHPHUNUCPSEVRR-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)c1 38701297 GRRFSOOUNHZVLS-NDEPHWFRSA-N 508.574 6.666 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 40926978 WMGVPFBKNPSWSQ-PFPWIQQFSA-N 511.361 5.827 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1 58894539 BYVXVCYMRWQLQZ-WWUVGGQHSA-N 512.448 5.528 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100080031 XYUNGDMMGKKLPA-UHFFFAOYSA-N 559.475 5.049 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 100236784 GMQLGSUHOWZKDO-LJIZRPCSSA-N 536.028 5.552 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100327396 CORIFXSRTQOMCO-HVXFLFEHSA-N 566.279 6.307 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 101022759 NGTADVUCBQTBCH-GAWJTQHISA-N 536.557 7.607 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241117 PVDRORIKBQSNQA-OGCOBRASSA-N 538.456 5.745 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245382 XJIYTEUVMFAPFH-BUPOLARFSA-N 509.675 6.746 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101246889 MIGWWEOJPMQOCB-DBTLDAOKSA-N 586.035 7.049 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101333052 OBZZKQZJAKNUAI-VUTHCHCSSA-N 577.084 7.164 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101334743 WDXUMZDAFZJVPF-STBIYBPSSA-N 577.084 7.020 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101334991 OAWJVNJHJJKSEE-QNKGDIEWSA-N 576.656 6.911 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101341252 LWLVYCIXVAUFKN-VUTHCHCSSA-N 566.658 5.510 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101341344 LGXXINPIKUKJED-ZCTHSVRISA-N 621.093 6.317 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381302 GEDPGGMYUNZCJZ-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 101381759 MVNWBZWTJYRWKN-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383798 RAOWGCKACBUTDH-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385341 BMNLPAQNCQLUKD-UMSFTDKQSA-N 590.676 7.199 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)oc2c1C 101397692 IYRJNPFQAHQACJ-HKBQPEDESA-N 591.063 8.028 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)oc2c1 101398904 GYJVMBODBIHAPD-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 102417198 DMKXETZSLMTCCR-JXAWBTAJSA-N 610.917 7.459 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)ccc1OCc1c(F)cccc1Cl 103563403 BVWHZHIKGVVOIN-MWBNBJEGSA-N 590.051 6.547 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl 103789669 BERMNUAXUOWQBY-XQNSMLJCSA-N 580.910 6.336 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2cccs2)cc1 109557450 CZZDJMKHQKSLPW-HKWRFOASSA-N 572.693 6.404 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430409 FWMFQWXOJHJNPG-SSEXGKCCSA-N 631.910 7.518 50 10 KKGE C/C(=N\NC(N)=O)[C@H](CN(Cc1ccccc1)Cc1ccccc1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 200282432 PYJBIETYXDPCCD-IGZDNVCESA-N 574.681 5.993 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206679868 QUOBVQNBSQQXGR-XJVUPUJHSA-N 558.631 6.098 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2C)c(OC)c1 206692144 NROJBOVQRSMJJL-DWRNTYSLSA-N 592.648 6.417 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cccc(Br)c1Cl 228451745 ITZWLTXZLIITOF-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)s1 229518901 WTGSBZSJRIDXSC-JTQLQIEISA-N 557.849 7.539 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)c(C)cc1Cl 235863668 HGXQYCFQJDPOGQ-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 254440572 LAEPQURHKBUUBM-UHFFFAOYSA-N 526.334 5.033 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)cc1 616671714 KZGMRIKHAODPOV-NDEPHWFRSA-N 525.926 8.419 50 10 KKGE CC(C)C(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@H](CO[P@@](=O)(Cl)N(C)C)O3)c2n1 725326458 WAHZVPMCAUKPIH-GHFUWTQCSA-N 853.317 8.067 50 10 KKGE CC[C@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1083819342 KASDHRXLYQOAKZ-JPCFKQEHSA-N 810.466 5.719 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Br)cc1 1083939970 KSYDEHSTFIKPNE-MHZLTWQESA-N 551.481 6.119 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 1083997415 LMBRGZIFJJYQQC-UHFFFAOYSA-N 597.568 6.093 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 1084071539 XAKHPOJZZUYSRB-UHFFFAOYSA-N 588.070 7.025 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N 1084083268 JHMLEAYZFXEANL-UHFFFAOYSA-N 583.236 6.181 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084184219 MVUPDJCPQYKZLY-UHFFFAOYSA-N 581.308 7.140 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=CC2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 1084320256 DMNNDDNTDPWXMM-VTIYRKAUSA-N 524.661 6.640 50 10 KKGE CN(CCCl)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 1084353018 LIWHBVKVRDXQBM-YSMPRRRNSA-N 518.057 5.496 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084396571 WRQRTPCKHDGIJO-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084424284 BDUIYYFICQGKJY-UHFFFAOYSA-N 600.697 5.000 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1084493527 OPJFNYYWWPSAOI-WYYSKMTHSA-N 537.704 7.400 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747989 WVEYTRSGROJBHZ-UHFFFAOYSA-N 548.555 5.653 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772755037 IOPVIODDNPTCPU-UHFFFAOYSA-N 506.447 5.222 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1848665460 JWEOPRVXJUYGSP-SDIKKSMWSA-N 549.678 9.359 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689402 RJPQCRGBTSSTIX-JOCHJYFZSA-N 545.393 5.243 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865692432 FPZPNNMIBAWCHX-VWLOTQADSA-N 527.024 6.267 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865697527 VTIFRKJMIRSBIC-VWLOTQADSA-N 502.615 5.620 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701119 MJZSTQSGGPZVOY-OAQYLSRUSA-N 552.226 5.783 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866767165 PYMUPECSKJKAEK-XTEPFMGCSA-N 549.737 6.894 50 10 KKGE CSCC[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069056 KUHUYWHZXOGBKT-FQEVSTJZSA-N 514.673 5.332 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3Br)n2)cc1 1872749077 AIDHNQGGGIBPEF-ATJXCDBQSA-N 511.485 7.830 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)cc1 1872753017 DEHMRRZGEDNPGL-BZZOAKBMSA-N 501.608 6.248 50 10 KKGE Fc1cc(Br)c2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 1912667819 APMYIZJIUWJKII-UHFFFAOYSA-N 542.880 6.191 50 10 KKGE Clc1csc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 1923073258 VRBOPJGMVADEGA-BYPYZUCNSA-N 520.320 7.779 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2C[C@H]2C2CC2)c1Br 1924611760 FKRPLBOLZCZPDJ-GJMOJQLCSA-N 507.911 6.908 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2sc(Br)c(C)c2Br)c1C 2039503309 OAYBWWSDFLYPTI-VIFPVBQESA-N 537.962 7.507 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1Cl 2048152687 XYYOZVMBFVALPV-MRVPVSSYSA-N 522.260 5.845 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccccc2I)cc1Br 2053623435 YFHKULMOMXOUPH-UHFFFAOYSA-N 588.037 5.927 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cc(I)sn1 2056487647 NDLOWKCIFWZVBL-NSHDSACASA-N 506.960 5.142 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)nn(C)c2C)c1Br 2067854443 FMXFSNVLYSAFHH-QMMMGPOBSA-N 521.898 5.870 50 10 KKGE Clc1ccsc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496854 UMGOOZAXRXSBPL-SNVBAGLBSA-N 558.742 7.780 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)ccc1Br 2138856265 ZQQBNYIKGWCCGS-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(I)ccc2F)c1Br 2138865654 NEPDXKHUBUXODG-CQSZACIVSA-N 518.389 6.592 50 10 KKGE Cl[C@@H](CC[C@@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2141469989 YDSGKZSNIZEUPR-XCBNKYQSSA-N 540.315 6.833 50 10 KKGE CC(C)(C)C[C@@H](CBr)CNC(=O)c1cc(I)ccc1Br 2156327543 YOBMUSZLPDIVOH-JTQLQIEISA-N 517.043 5.231 50 10 KKGE O=S(=O)(CCC(CCl)CCl)Nc1cc(Br)c(I)c(Br)c1 2160951722 ANZJYDLXYVNMEF-UHFFFAOYSA-N 579.907 5.042 50 10 KKGE FC(F)[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCl)nc2cc(I)ccc21 2193247084 URSUGNAWPJNLPG-QAPCUYQASA-N 501.746 5.318 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(Br)cc3I)ccc2O1 2207273063 REQJIQWXRBFMKN-ABKXIKBNSA-N 507.991 5.861 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csc(Br)c1Br 2218597327 LORYOARAUKCBAE-VIFPVBQESA-N 586.738 7.422 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)co2)c1Br 2258117007 JITNSDZIWDUKFO-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC(C(F)(F)F)C1 2264518773 XRCXOXWSFWCJAY-POUYQYJTSA-N 505.419 7.341 50 10 KKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Br)cc1I 2269541719 ITEQJBWVSRKLRA-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE Cc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1Cl 2295937268 IBIALBOUHGLZJF-MHZLTWQESA-N 628.581 8.196 50 10 KKGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2295945852 IBCVEEMVVUYDHP-UHFFFAOYSA-N 500.374 5.353 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2296038065 HEABLYYUPRSVKR-DEOSSOPVSA-N 504.011 5.804 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(I)c1 2301797323 VXUBOGKEDGXYQC-JTQLQIEISA-N 526.846 6.906 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 2313510922 DPLAWHPOTBIICL-UHFFFAOYSA-N 527.418 7.044 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(Br)c2)c1 2313511259 WRBBFSUGNFYKEJ-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 2313518506 GXPMEGDCWQEBSK-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1 2313519038 VKRBHGCFTMYEKG-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314450332 YDPBRZCERAMBMG-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(I)cc2)cs1 2314487407 IKDAICUKIDQEHS-UHFFFAOYSA-N 525.331 5.777 50 10 KKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2314534131 ZFJOJQSYRXXIHF-UHFFFAOYSA-N 521.360 5.656 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592397 SLJYDLRHURGLCQ-XMMPIXPASA-N 548.462 5.831 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314619067 ZFHFINWOOFOBFA-UHFFFAOYSA-N 515.573 5.125 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Cl 2314621109 YYRJGTDAAOHFDB-UHFFFAOYSA-N 597.502 7.427 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634075 KBWBRTOBJJIUFZ-MUUNZHRXSA-N 500.982 6.356 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCC(C)C 2314634879 ZAJFXZDLZXSPAZ-GDLZYMKVSA-N 531.008 6.220 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 2314640765 WPOXOLIHAMTOGK-WJOKGBTCSA-N 587.434 7.548 50 10 KKGE N#CC(=Cc1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)NCc1ccco1 2314755146 VUALIRXNZSWLCC-UHFFFAOYSA-N 560.198 5.012 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 2331396391 UJUVVDURKWTDCP-GOSISDBHSA-N 515.635 6.048 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Cl 2336049272 BBWCRIOLYQVAII-FQEVSTJZSA-N 502.580 7.444 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c(I)c1 2340057436 MAKPQNRMEQPELY-LBPRGKRZSA-N 534.844 7.039 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCCCC[C@H]1I 2341837242 JZBGBCDNBXRMIE-HUUCEWRRSA-N 549.028 6.097 50 10 KKGE C[C@H]1C[C@H]2C[C@]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368711668 FVLRHCKSVRXGHS-ZUVKVVCWSA-N 552.326 6.974 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1 2325386 DJWXGUHGZXMMDP-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccc(OCCC(C)C)c(Br)c1 14645630 YXHRUSOXKCNPCG-UHFFFAOYSA-N 524.843 5.016 50 10 KKGE Cc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2cc(Br)cc3c2OCCO3)c(O)c1 33354698 QLQGBFJRKWYBFW-CVEARBPZSA-N 535.026 5.317 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 38608540 YQEOXMWQQORASV-WSDLNYQXSA-N 502.567 5.031 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650870 XDNAIEKWMKABPY-DFXYEROKSA-N 526.633 6.580 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1 38660916 YHTBSYPACOQUTQ-PMERELPUSA-N 518.569 6.705 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678908 LZFXDBCJSDVLAB-PUAOIOHZSA-N 519.395 5.603 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 38679625 HAXQOJDATFZLKD-FQEVSTJZSA-N 506.172 6.738 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 38687577 OYNQEFWFAYUTCP-BJFQTCHOSA-N 502.655 6.986 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38701344 BZOGTFCUULWFKD-XMMPIXPASA-N 517.006 6.699 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 40847934 DCXPEEHUWMFHJD-UDWIEESQSA-N 501.922 5.812 50 10 KKGE CCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100142207 IRTQVBSTPXFOHN-UHFFFAOYSA-N 564.274 5.774 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1Cl 100336130 LXTQNHOEZPLQHW-JAIQZWGSSA-N 525.830 6.853 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NN(c1ccccc1)c1ccccc1 101135153 CKVRCYQFHBDCRM-UHFFFAOYSA-N 531.059 8.229 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](CC)C2 101194376 MHFAQBVPKBCSLQ-KMUCBOENSA-N 544.673 6.573 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C(C)C)cc3)C2=O)cc1 101246520 CUCCGBYEHOHOGW-APXCXOGCSA-N 553.728 7.226 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 101337063 KOGPDVKUZCPBNJ-IPACTHBOSA-N 554.622 5.629 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OCC 101373596 XMEBXTVTQYTKGD-NMEOXOFNSA-N 531.008 6.364 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380561 AORVNALBZSRPNE-PMERELPUSA-N 540.978 6.424 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(F)cc5)ccc43)c2)cc1 101382248 OWFRILDDUYNMIH-JCOAXYOVSA-N 550.586 6.304 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383218 AUVCERGKSCQRPI-ICFJDMLASA-N 569.444 7.409 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383611 LNFVYOFCLPBEIW-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383799 RAOWGCKACBUTDH-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385603 DEZJCHXSXJBYEB-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386444 WJPQVTXGJIVMOZ-XIFFEERXSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccccc1Cl 101388073 XQVQQHAGSUAYMX-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101388788 HGCARRPXHUNCBL-HKBQPEDESA-N 550.586 6.549 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCCC(C)C 101393428 QQSZLIQWULWELW-PMERELPUSA-N 552.627 6.921 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cc(OC)c(OC)c(OC)c3)c(C)c2c1 101393497 OCDCZQMJWOEZIZ-HHHXNRCGSA-N 540.572 5.767 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCC(C)C 101395454 HVOXLKUFGLFSJB-SANMLTNESA-N 561.059 7.035 50 10 KKGE O=C(NNc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494282 DTXBOKIVQXDXSB-UHFFFAOYSA-N 520.343 5.215 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 101512076 YLRDKPZIFGACPO-NMWGTECJSA-N 566.625 7.490 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610266 FECFGGDILCFONA-ROMHNNFLSA-N 528.608 6.949 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614365 LUUIFVMLBRGVPC-IWBSIUBASA-N 569.415 5.974 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(I)c1OCc1ccc(Cl)cc1 102139979 FECYVAQBARKEMX-MFOYZWKCSA-N 548.764 5.349 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OC(=O)c1cccc2ccccc12 102230207 CNTWHCNUKYQNST-ZHZULCJRSA-N 586.398 6.674 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 102665971 RKNXPYICICBYNB-QPQMVVSWSA-N 534.435 5.523 50 10 KKGE COc1cccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2ccc(C)cc2)c1 103152633 LFEGEOXDHKJIEY-GNVQSUKOSA-N 530.694 5.398 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1 103563326 ZDHGSTVTSQTRDC-QXUDOOCXSA-N 600.513 6.680 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC 103880749 XZVQCGFOTJDTJA-ZCTHSVRISA-N 593.465 6.619 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3Br)CC2)c(Br)c1 150392604 KLYUERZOPZPZJZ-UHFFFAOYSA-N 738.518 5.366 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(C)c3)c(I)c2)cc1 150430481 SFKZEOVWXOUWJN-WIQDYGPDSA-N 698.339 6.146 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 150430927 GIPRKJWTXVHTAE-PCYMAAINSA-N 718.757 6.491 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1 164615422 WSKHUXXVTRHZIF-AMVVHIIESA-N 647.161 7.792 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC2 206562397 OSEKHTMTABJUIJ-RPDVICHOSA-N 711.010 5.700 50 10 KKGE in-vitro CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 214370923 CAJALQYEYCUMKG-BRPDVVIDSA-N 634.708 6.709 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214393828 FBLJUYSMSWEYJE-GTWSWNCMSA-N 588.733 7.233 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccco3)cc2)c(Br)c1 252615179 JQIJEJQSDAMXRW-JZIOVNQGSA-N 660.403 7.666 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2coc3ccc(Cl)cc3c2=O)c(-c2ccnn2-c2ccccc2)c1 252637124 XPCVADILUAFXTH-UHFFFAOYSA-N 512.953 5.137 50 10 KKGE CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 253564395 GLJMFTRWTCNSQY-STKMKYKTSA-N 540.712 6.375 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254344088 SVMCAFRAOLFVDG-UHFFFAOYSA-N 524.702 7.464 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1OCc1ccccc1 254420821 WYUSVQUFASULTD-UHFFFAOYSA-N 549.656 5.764 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(C(C)C)cc2)cc1 254836141 NJJZBPBHGGFQPD-UHFFFAOYSA-N 510.590 6.110 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(Br)cc1)C(=O)OC(C)(C)C 303741904 TZBMVSPEBWFNMK-GOSISDBHSA-N 512.226 5.416 50 10 KKGE Cc1ccc(C(=O)N/C(=C/n2ccccc2=N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 585660822 LTNJVKUZRVZCPL-UEJTVSRESA-O 514.589 5.456 50 10 KKGE Fc1cccc(C[C@@H](Br)c2ccc(I)c(Br)c2)c1F 721571156 CSKCWSJVOQUOFW-SNVBAGLBSA-N 501.934 6.011 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(C=NNC(=O)c3cc4ccccc4o3)cc2Br)cc1 1083888203 MHRLXNVMUZJVBH-UHFFFAOYSA-N 572.209 5.999 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1083891752 LLKGYVBJSASRFJ-CJLVFECKSA-N 520.402 5.423 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 1083908857 CFHAHVAEXAVBJW-UHFFFAOYSA-N 627.992 5.894 50 10 KKGE CC(=NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1Cl 1084057744 GOKABQCKEBVNGG-UHFFFAOYSA-N 505.745 5.961 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084166950 CXHQSDDDAKWOSR-UHFFFAOYSA-N 623.484 6.765 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1 1084180110 FHZXIUWLVPDAQB-XSFVSMFZSA-N 589.260 7.451 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CN5CCc6ccccc6C5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084265645 WXGWKPIHORNDFK-KLNKRXHLSA-N 612.774 7.243 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc2ccccc12 1084410150 FGZXROOQJSNVRH-YBFXNURJSA-N 512.347 5.027 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1084517152 UICWRHNFTVEBOD-UHFFFAOYSA-N 646.486 5.234 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1 1084528139 QYYVCMUJECMXJT-HZHRSRAPSA-N 550.884 6.246 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750087 TXQSCYAHNIJORP-HNNXBMFYSA-N 526.420 5.722 50 10 KKGE CN[C@@H]1CC[C@H](O[C@H]2C=CC=CC[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@@H]2OC(C)=O)[C@H]3OC)O[C@@H]1C 1848435385 MGIACLJTFQJLSW-UMLSFBHRSA-N 985.339 5.741 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865688139 KFLBZGBRXTZZQZ-LJAQVGFWSA-N 512.613 6.595 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865689701 CPVYNCOKGCODHT-MHZLTWQESA-N 559.497 7.692 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865691209 MQKDEDFCJVSUJT-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865692694 OTSSJZZVTKOZLQ-XMMPIXPASA-N 551.485 6.052 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693377 JBHNLQIICDDFDR-GDLZYMKVSA-N 555.078 6.733 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865694852 DDSJNWCUWIUGSY-DEOSSOPVSA-N 533.415 6.472 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865697701 ZTSVGGZOYCDYFI-OAQYLSRUSA-N 543.849 5.535 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699393 SMICHZIQWCQVGY-LJAQVGFWSA-N 523.596 6.411 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1C 1865703165 OUNYXXWUCCBQPS-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1 1865707486 XVWZEQONWQJLLL-RUZDIDTESA-N 547.556 6.334 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867286414 SRJVKLSAZOGITI-IBGZPJMESA-N 527.503 5.045 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4ccccc4OC)CC3)n2)cc1 1868528152 OBGVOAOUNXHIHY-UHFFFAOYSA-N 566.731 6.232 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2cccc3ccccc23)cs1 1872792452 ZXKLODWXWBYZLL-OVCLIPMQSA-N 512.226 7.258 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872794567 JCHVNYWXJNHKIF-LPYMAVHISA-N 520.485 8.216 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1C 1873498556 UQXLSCVDOMBEHR-KCSSXMTESA-N 503.606 5.980 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)n1 1873920568 IUUAGKZCROXNHE-VYIQYICTSA-N 521.598 6.494 50 10 KKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915092130 GCRVRKYORDOQDO-ZDUSSCGKSA-N 506.609 5.714 50 10 KKGE FC(F)(F)C(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923063311 XYPHGVIMLKKJKY-REOHCLBHSA-N 501.334 6.950 50 10 KKGE COc1cc(Cl)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924599584 JNTNSFYEKLJBEM-JTQLQIEISA-N 509.872 7.026 50 10 KKGE FC[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779792 LSLHVNKOXZPZCS-ANYMCVJYSA-N 514.252 6.622 50 10 KKGE Br[C@@H](c1cscc1OCc1ccccc1)c1cc(I)cc2c1OCC2 2038686414 NZPBEMRNEWOCET-LJQANCHMSA-N 527.221 6.351 50 10 KKGE F[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494215 KNPSUCPOGJJVMX-YZGOCOMISA-N 528.279 7.155 50 10 KKGE CC1CC(C)([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085495682 RWAMMZPUOUUMSI-BZCBFNEHSA-N 524.316 7.453 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100210622 NFSUFLATAAYHJV-PXNSSMCTSA-N 501.690 6.818 50 10 KKGE Cn1cnc2sc([C@H](Br)c3c(Br)sc(Br)c3Br)cc21 2118609478 QHPRZWJHKAFLND-ZETCQYMHSA-N 549.933 6.468 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)C1CCCC1 2123253415 AXYNJJZUBNEXJD-UHFFFAOYSA-N 505.247 5.617 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2141470490 HMOHBMPBZTUYAG-NSHDSACASA-N 556.705 6.452 50 10 KKGE CO[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471008 MZLMTZPRBORBSG-MVKOHCKWSA-N 584.766 6.988 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2224302585 NDGDWDFXKYTIOH-VIFPVBQESA-N 548.736 8.324 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Cl 2232528004 GCLGEEYTHLQGEF-OAHLLOKOSA-N 504.420 7.306 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(Br)c(C)c1Br 2270452039 CSFQYMCHUKOLLL-NSHDSACASA-N 535.896 7.276 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1cc(Br)ccc1Br 2278095911 GKGOGPRMBAMACO-ZDUSSCGKSA-N 501.490 7.579 50 10 KKGE CC1CC2(C1)CC([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2287846852 PPHPFSJUNUPVNX-JNLMYKIISA-N 550.354 7.843 50 10 KKGE Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(C#N)=Cc4ccccc4)ccc3c2=O)c1 2293189765 DABAKPADVZNHNG-UHFFFAOYSA-N 505.448 6.734 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198263 OLDABUQTMXZXCX-JOCHJYFZSA-N 512.418 5.638 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293752426 XJOXSUNQDIVFGP-UHFFFAOYSA-N 570.675 6.056 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2294963514 KJSLJNAHONDSLG-UHFFFAOYSA-N 615.503 6.154 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296049211 IPUKQWDDESHUND-RUZDIDTESA-N 502.039 6.276 50 10 KKGE Clc1cc(COc2c(Cl)cc(CBr)cc2Cl)ccc1I 2296302691 MROPEAQMDKNCMU-UHFFFAOYSA-N 506.392 6.725 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl 2313521508 SRYNHDGAAZQLEU-UHFFFAOYSA-N 550.223 7.640 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 2313557231 XORHLQVPMNMUSW-UHFFFAOYSA-N 557.050 5.812 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631065 JVNXHQCJKQUFIM-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592332 RCKKVMLIEMRGQU-VWLOTQADSA-N 570.036 7.295 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592799 BYAXJAHGPUULSB-MUUNZHRXSA-N 509.675 6.115 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314617818 BLGNNPHZFFOXLN-QFIPXVFZSA-N 544.611 5.910 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314741479 ZWGHDBGOUJDOIM-UHFFFAOYSA-N 525.561 5.203 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2csc(Br)c2)c1Br 2315459093 UBKZTSJRDGCDPB-VIFPVBQESA-N 542.287 7.312 50 10 KKGE Clc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2317772214 AANXKKAWHMBQTA-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE CC[C@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2325079469 AFGNTWCXEWEKQR-YTTGMZPUSA-N 518.705 5.947 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccc(C)cc1 2331468373 DSXILGMSRQWLGL-UHFFFAOYSA-N 508.687 8.394 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c(OCC)c1 2331473981 UJMWORYOSFDNLM-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1C 2331485639 NUYGQMOAZLYPNQ-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE ClCc1ccc(Br)c(Cl)c1OCc1cc(I)ccc1Br 2367517065 HROOPFYIENRHSU-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2079975 OLJIKHZFTMBSOI-MRAZWZEMSA-N 503.400 5.610 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c1 2336818 PPXQVSRCFTVIQQ-STZFKDTASA-N 536.407 5.205 50 10 KKGE O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669679 HWBGFMDCHQZQDG-UHFFFAOYSA-N 519.395 5.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650923 MPEGAPSZCVXXON-MUUNZHRXSA-N 519.513 5.611 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1 38651316 XOSANUOFHNSKBM-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38684314 ZLHRFJYIBNXBDD-SSEXGKCCSA-N 528.605 5.857 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(Cl)cc1Cl 38688265 PVNJJJCGLHQMBM-HSZRJFAPSA-N 505.313 5.537 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38688311 KYBKLXASMPNQHS-HSZRJFAPSA-N 505.313 5.537 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1c(Cl)cccc1Cl 38700541 NNRVNPAPFQQCGG-JOCHJYFZSA-N 505.313 5.537 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658813 MJWYEUJXPSPYEW-UHFFFAOYSA-N 503.224 5.091 50 10 KKGE N#C/C(=C/c1ccccc1OCOc1ccccc1/C=C(/C#N)c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 50552190 YXAPUROJTUJDET-FXKBRRNPSA-N 534.579 6.983 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 58891960 SAAQWROZORVPRM-HGNFKBFPSA-N 521.455 6.029 50 10 KKGE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1 59105247 TXQOFUOIKBHIDN-OKCVXOCRSA-N 501.970 5.789 50 10 KKGE CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)Cc1ccccc1 59500516 KMSRMUBVUSDHFY-QXPFVDMISA-N 521.573 5.250 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242536 SEJIBMCZGCHVLK-GFPZRUSRSA-N 575.996 6.093 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244421 PSWSGDGDLLRXLK-FYAMCCBRSA-N 521.564 6.333 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101372055 LRFHACJWNVVHGJ-NDEPHWFRSA-N 577.475 6.854 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 101373576 AXZBTHNCMLAPBO-GDLZYMKVSA-N 530.577 5.085 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101373955 VPIIEQHZTNVVMH-LJAQVGFWSA-N 559.575 5.375 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)c1 101374366 QIBUQBPKYITGPD-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101375093 DJFYMUAHBQNLBY-LJAQVGFWSA-N 611.522 7.653 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 101375308 WBDNRQAGIRZGLU-WJOKGBTCSA-N 542.632 6.247 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1 101377626 WUNUZRCKWQUKDQ-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379206 HWKNTEAFBLXRRU-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380999 MREPYBPQGYCKKX-MNAQKMTRSA-N 564.613 6.558 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383208 DXZUWIBOVTUCMS-UBOVMPNESA-N 569.444 7.409 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1C 101383391 YSQOGNRZOMCJOW-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 101384911 MIKOUDGASLLQJB-JGCGQSQUSA-N 601.486 7.392 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387119 GJKVHQNSCNRAHM-YPVWHBEOSA-N 604.678 7.548 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399664 KJKIYJYFOVZIGM-PGUFJCEWSA-N 614.698 8.027 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)COc3ccccc3)CCC4)ccc21 101611181 YZWSUVOQIWVGOA-YQCHCMBFSA-N 534.616 6.204 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccc(C)cc2)cc1 101680620 QGFGZLFHKJDEHQ-MTDXEUNCSA-N 532.596 5.878 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 102034132 GYZLOIKFCGYKSR-ODLFYWEKSA-N 556.254 6.735 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 103887298 HXKARFTZIKDSPB-ZDLGFXPLSA-N 544.218 6.784 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 214307310 AYGXOBHQAYWELJ-BRPDVVIDSA-N 552.675 6.126 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214349561 LAKPUGMFZLBXIU-RGXNXFOYSA-N 570.693 6.718 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)s1 235813974 ZHWOBSDFCXGBSV-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1Br 236038100 GGHMAWUOKMGJDG-JTQLQIEISA-N 524.297 7.126 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 252623817 OZVYGQIUERSUOE-UHFFFAOYSA-N 578.518 5.522 50 10 KKGE O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@]2(F)Cl)c1ccc(Oc2ccc(C(=O)N/N=C/[C@@H]3C[C@H]4C[C@H]3[C@@](F)(Cl)[C@]4(F)Cl)cc2)cc1 253388586 UXJICYMVFNDWNU-OBTJHMNVSA-N 708.367 7.841 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=C/C(Br)=C/c2ccccc2)nc2ccccc2c1=O 254288878 BRVNUWQRHVRAEY-JYDMSXFQSA-N 533.451 5.324 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254905163 HVLZGIYYUCQMIM-WXDZKBKUSA-N 518.617 5.253 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@]3(CC[C@]4(OO3)[C@H]3CC[C@@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)C[C@H](O)[C@]42O)C1 263626149 OPAXDOLIIPLMGB-NSJYEODJSA-N 506.724 5.578 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Cl)c(Br)c2)C1 394650041 XEQGOGOOFASEKV-NEPJUHHUSA-N 500.602 5.488 50 10 KKGE Cc1cn([C@H]2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 616587639 ROWGDHKQVFNBRH-UVRPFDQRSA-N 556.717 5.228 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2I)c(C)c1Br 719535599 KHBYYZNTRQCYFW-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE CC(C)COC(=O)N1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238443 IWTMXMQGHMUHOI-OAQYLSRUSA-N 546.011 5.017 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1Br 725408793 GOBZZKDFPIFIRF-UHFFFAOYSA-N 530.491 6.810 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc2ccccc12 1083887340 GCQDXCYHXHSFHM-OYKKKHCWSA-N 588.445 7.195 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1083936117 KRWJIBPJZDJQQO-UHFFFAOYSA-N 577.634 5.079 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084065391 UIJZUEYRJVTCSU-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084116840 ZKLKCFQJNVTSCS-UHFFFAOYSA-N 531.528 6.392 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084120452 GOKANFQLKXXXEW-QHCPKHFHSA-N 556.413 5.299 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084139578 OPUKVKZJOQJGGH-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC#N 1084363930 USDLHDQESZTMOJ-UHFFFAOYSA-N 543.421 5.890 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccccc1 1084390024 AVEXZIAOQXGPQT-LPYMAVHISA-N 577.422 5.626 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 1084431521 LLNUWCZAGONQPT-QHCPKHFHSA-N 555.425 5.119 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084452300 OUAOBOKTCNSUEG-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cc2ccccc2cc1O 1084508834 UJSMVRCMBOLVTQ-UHFFFAOYSA-N 590.642 6.464 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(I)cc1 1084532457 DPKNWEIJXQIGGG-UHFFFAOYSA-N 698.149 7.304 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(I)cc1 1084564719 KLDZAMBUASOJIK-UHFFFAOYSA-N 684.122 6.914 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744206 SIOGEGDVTGQHEC-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751861 OLAKIAFVGCBNEH-UHFFFAOYSA-N 507.590 5.607 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(C)c1 1772755012 GOKHRFKEGGEXGV-UHFFFAOYSA-N 616.990 7.364 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)c(Br)c1 1772756185 NBRDGDRNXRAZCV-UHFFFAOYSA-N 511.416 5.518 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCCc1ccccc1 1865687842 BMSSRISYGSYPRT-HHHXNRCGSA-N 512.997 5.682 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865692416 FOBQQTJEEOYEMQ-QGZVFWFLSA-N 535.320 5.279 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865693451 VRZWHUSERMBIAG-QHCPKHFHSA-N 571.903 6.315 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865696717 JJWDETDINQEVSY-SFHVURJKSA-N 549.347 5.338 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCCCc1ccccc1 1865697188 PADLPMWVIVHMKS-MUUNZHRXSA-N 527.024 6.073 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698938 GRTHKEGRTMWZOR-HHHXNRCGSA-N 501.590 5.625 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865702756 DPJPRRXSIJJOPF-MUUNZHRXSA-N 562.029 6.393 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702926 ILTJTHIPAKBWTE-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1ccccc1C 1865703648 XWHOXYXXYFYDRO-HHHXNRCGSA-N 506.606 6.074 50 10 KKGE CCCC[C@@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866635192 PXVFCPWKNODISH-GOSISDBHSA-N 527.697 5.259 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(F)c2)n1 1868300847 JBOSYRRWYWYXQS-YTTGMZPUSA-N 543.671 8.060 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3c3ccccc3OC)n2)c1 1868506153 RYAJICTUPQWBOX-XIFFEERXSA-N 571.706 7.630 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1868506362 VTJPUHOEYONHFL-UHFFFAOYSA-N 566.731 6.232 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 1872791963 XPVKZWIEPZUGAM-SZXQPVLSSA-N 522.670 8.443 50 10 KKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1Br 1910127100 BTYNRCOXSJNAFC-KCRUCZTKSA-N 510.915 5.860 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924611659 DJCXVWLGMCRCIA-RZTSUAATSA-N 507.911 6.764 50 10 KKGE Brc1cccc(C[C@H](Br)c2csc(Br)c2Br)c1 1945186827 NYIWKHIXWGSASR-JTQLQIEISA-N 503.879 6.714 50 10 KKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1951244611 PBPOMQUPWLCQQV-QMMMGPOBSA-N 511.899 6.288 50 10 KKGE FCC12CC([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2082584576 HTTQGRUUGVKAMH-CAZGOSDBSA-N 527.873 5.990 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c1C 2082884167 JMMIFMBGBPACDB-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE FC(F)(C1CCCCC1)[C@H](Cl)c1c(Br)sc(Br)c1Br 2128815915 LMUWNZBGPOWEIZ-SECBINFHSA-N 501.456 7.531 50 10 KKGE BrCC(CBr)(Cc1cc(Br)sn1)c1cccc(Br)c1 2139779946 LUGZYBGISJCWIQ-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141469695 BWCNDKOURBWFFX-NSHDSACASA-N 597.164 7.874 50 10 KKGE CC[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141473474 PGXQLWNLMJHELM-QWRGUYRKSA-N 590.720 7.608 50 10 KKGE Clc1cc(CC[C@H](Br)c2ccc(Br)cc2)ccc1I 2142938812 BNVNUQFRBIMQRQ-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(Br)c2Cl)c1Br 2201080632 ZLKBXWMVPMLKER-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396301 VFRNSMJMNQUCDK-MLUIRONXSA-N 610.726 8.151 50 10 KKGE C[C@@H](C1CCCCC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396562 YLIKPVSFWMTZHW-VXJOIVPMSA-N 552.370 8.233 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206399489 IIJQKFCTRFZHTQ-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(Br)cc1I 2207262270 YMRVQYZQNKZUJD-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)OCCO3)c(I)c1 2207273966 YJFDGKFWZRVMOO-HNNXBMFYSA-N 509.963 5.309 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(I)sn1 2259999510 QOMJALLPMCIWON-SECBINFHSA-N 529.369 5.879 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(F)cccc1I 2267731035 DSDOULDTFZTYJJ-ZDUSSCGKSA-N 566.803 6.579 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2c(F)cccc2I)s1 2267742052 YMQGBKDGTGRYRJ-GFCCVEGCSA-N 519.999 5.885 50 10 KKGE CCN(C[C@](C)(CBr)OCc1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2271579459 KPSDHAISIMSYFH-SFHVURJKSA-N 501.206 5.655 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818679 CTECQHMOPOFQJP-WOFKAWCNSA-N 799.190 13.846 50 10 KKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 2295998979 VUVZBWSZJVMJKM-QHCPKHFHSA-N 534.435 5.523 50 10 KKGE COc1ccc(C=C(C#N)C(=O)NC(=O)Nc2c(C(O)(C(F)(F)F)C(F)(F)F)ccc3ccccc23)cc1 2297450805 JQPDMAMVFAYTAZ-UHFFFAOYSA-N 537.416 5.416 50 10 KKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2297565103 CUNUZCBFPIPHIA-UHFFFAOYSA-N 556.328 7.013 50 10 KKGE N#CC(=C(O)CSC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1nc2ccccc2[nH]1 2297746189 MOGJASDNVKWKAM-UHFFFAOYSA-N 525.703 5.781 50 10 KKGE Cc1cccc(COc2ccc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1 2313571398 VMCCUPLACBBGHE-UHFFFAOYSA-N 563.222 7.031 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 2313631169 LPFGHGFEGLANMX-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE Clc1cc(Br)ccc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314452407 MYWOGVGFMJUYMF-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 2314478709 SEFWJMSJSOOPCD-UHFFFAOYSA-N 552.055 7.110 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2314490054 XLVNZISGTXFGGI-UHFFFAOYSA-N 539.458 7.498 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591927 HWWHPXDMVOTKRS-RUZDIDTESA-N 501.583 5.598 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592984 FLSVDXHRVUEYES-MNNSJKJDSA-N 539.701 6.341 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314619000 XXVSWRQVXDWWOQ-HHHXNRCGSA-N 590.683 7.472 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCCC(C)C 2314634755 GSSITSLETLKBCJ-HKBQPEDESA-N 559.062 7.001 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OC)c1 2314785694 IXPDQQSSCYLXBN-UHFFFAOYSA-N 542.249 5.324 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c(C(C)(C)C)c1 2331362659 LEFMMDSNWNCXPR-UHFFFAOYSA-N 519.450 7.303 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 2331447349 JVRQJYGKENTKPX-UHFFFAOYSA-N 515.448 7.662 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2336039826 AEPQMDCNUYEZQG-SFHVURJKSA-N 543.097 6.571 50 10 KKGE Cc1cc2sc([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)cc2s1 2336053539 KGIVQIFPJGMDPQ-NRFANRHFSA-N 508.300 8.097 50 10 KKGE CC1(C)CC(CBr)(COCc2ccc(I)c(Br)c2)C1 2350073199 LXVSZPRLBIOHHK-UHFFFAOYSA-N 502.028 5.772 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362228218 BISVZKLMXZYHCN-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Fc1cccc([C@H](CI)OCc2c(Br)cccc2Br)c1 2366144592 HKTVOXKCPJRWQD-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE CN(Cc1c(Br)cccc1Br)c1ccc(CBr)c(Br)c1 2366159800 DBZJXKMTEZJFLK-UHFFFAOYSA-N 526.892 6.505 50 10 KKGE Cc1cc(Br)c(CBr)c(OCc2ccc(I)c(Br)c2)c1 2377641687 IYJDAAALARONPM-UHFFFAOYSA-N 574.876 6.599 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)sc2c1CCCC2 1785601 YRVIYQRAZJWQJB-MUUPNBPSSA-N 588.513 6.280 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 1790532 PTCLYKAUSAJNQG-IQQNDYETSA-N 528.848 6.712 50 10 KKGE Cc1ccc(-c2csc3nc(SCC(=O)N/N=C/c4ccc(OCc5ccccc5Cl)cc4)[nH]c(=O)c23)cc1 2613901 DCCVGVLWBPGFQP-XAZZYMPDSA-N 575.115 6.435 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1OC(C)=O 2704898 JAFWIPBFQMCHEV-FDAWAROLSA-N 557.676 5.408 50 10 KKGE N#C/C(=C\c1cn(CC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 34988206 XSOILUMNMLTLGD-CPNJWEJPSA-N 506.953 5.555 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)c2)cc1 35446174 MFCJVGCCOPNTOY-VUTHCHCSSA-N 524.624 6.650 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1C 38651749 RUVYGOJKXQEZTI-VWLOTQADSA-N 505.368 5.269 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812722 HSMXFEJWNUTSKZ-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816280 QKHHFOSSONRILU-RDRPBHBLSA-N 504.345 5.522 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 58891516 LHSBVNTUCAULQI-WRIMGEDOSA-N 525.443 5.699 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 100231946 RQEHKQKJHMAXRH-PVEGLGLCSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1 100234708 ARYUVCPHWXSMCB-WGNDPNKDSA-N 529.406 5.530 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 101011953 WVCUNQTXKCHTMV-IMRQLAEWSA-N 534.106 7.423 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101286685 ZYIFYAVWEYMAKE-NDZAJKAJSA-N 540.623 6.205 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101334951 MZWKSEAYUDLVFR-VUTHCHCSSA-N 528.612 6.121 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101336668 VPXZEUGICBAKKL-JVWAILMASA-N 518.573 5.712 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101338905 LDYRXXKKPPIKQH-MTDXEUNCSA-N 534.660 6.560 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101341306 SEFBMCGOEZCTBR-OGLMXYFKSA-N 566.658 5.428 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 101369007 NRIPWTILJOHCRQ-RUZDIDTESA-N 555.812 5.622 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2Cl)c1 101382906 QAIAAGRBSOFPMB-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 101384926 AVTSHXJDBOVLNI-YTTGMZPUSA-N 601.486 7.392 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387317 VJTUNYIWBIIAFS-MGBGTMOVSA-N 580.612 6.178 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389380 KGOVJHHPUYKLPT-MJXKIBSNSA-N 597.042 7.294 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101390272 QHNIPHMBZSFKEU-XMMPIXPASA-N 531.362 5.950 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101393223 XVXMFDJVEBGMFP-GDLZYMKVSA-N 617.496 7.519 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101395947 NIQUKYWADQXVFD-LJAQVGFWSA-N 611.522 7.797 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101397275 VHOOFEMPBCZFEW-RUZDIDTESA-N 613.950 8.868 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccc(F)cc12 101398011 DTFNKOSXJBBPAW-SSEXGKCCSA-N 615.444 8.204 50 10 KKGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494234 RGVSZIWICKINJP-UHFFFAOYSA-N 571.391 5.763 50 10 KKGE Cc1ccc(C(=O)N/C(=C/SCC(=O)O)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102579685 DISYDHHYHVJDEJ-HFTWOUSFSA-O 512.591 5.336 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462727 VUJQDCBNCWHELW-MUUNZHRXSA-N 622.848 7.571 50 10 KKGE CCCC[C@H](C)C[C@@H](/C=C\[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 204474176 FNKWBXQWAOGUTD-VFCQJPSVSA-N 524.935 8.491 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205774904 ILSLPQYXJCCJFI-BJGXQJCXSA-N 610.695 5.609 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)sc1Br 235862421 XUNNUPIBCSVVSN-NSHDSACASA-N 550.879 6.670 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498399 YWOCDRCHNHTNKI-QHXJOSOTSA-N 567.836 10.237 50 10 KKGE biogenic CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(CC)CC)cc3)nnc2-c2ccccc2)cc1 254744029 LAQKSUWNXOJLEH-UHFFFAOYSA-N 528.682 5.422 50 10 KKGE CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCCOC(=O)[C@@H](Br)[C@@H](C)Br 256111820 RZTSKWFQWWIWIF-MHTWAQMVSA-N 656.176 9.085 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306146056 ACJHNDYFTFXEOF-TXZDXNSJSA-N 984.181 5.736 50 10 KKGE Cc1ccc(Oc2c(I)cc(Cl)cc2I)c(CBr)c1 311462208 GIYLCVHOIQJLFL-UHFFFAOYSA-N 563.398 6.545 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(Cl)c(Cl)c1Cl 404731058 QUGBQRVURCGLHW-SSDOTTSWSA-N 504.285 8.215 50 10 KKGE COc1cc([C@H](Cl)c2scc(Br)c2Br)c(OC)cc1Br 705468057 YZBDFTWZBHUZFP-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE COc1ccc(Oc2ccc(NC(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)cc2)cc1 725237465 IFXAIKOWPDCWQU-AREMUKBSSA-N 575.008 7.520 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 725439386 LDIMKOPLQWRLGH-XMMPIXPASA-N 637.312 5.995 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c2ccc(C)cc2)cc1OC 1083895112 UQDVIKMTLPNZIZ-UHFFFAOYSA-N 696.620 6.016 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(C)cc1 1084040159 MRMHQTCOUNNFPQ-UHFFFAOYSA-N 533.422 6.584 50 10 KKGE COc1cccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 1084049226 UFPOCPZABGNDCP-UHFFFAOYSA-N 523.552 5.048 50 10 KKGE O=C(c1ccccc1)c1nn(-c2ccccc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)c3ccccc3)nn2-c2ccccc2)s1 1084062790 FUDAANNPEDSFGB-UHFFFAOYSA-N 776.994 9.907 50 10 KKGE CC(C)(C)c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084134034 AKMLENSGVCZLRK-UHFFFAOYSA-N 522.305 6.173 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084294870 YAKODMWQOBDYJP-HSZRJFAPSA-N 511.962 5.190 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084306621 PCWQZONQCNKBOK-UHFFFAOYSA-N 611.189 6.214 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084332271 IYLFQIKSUNCGFB-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE CC(=NNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084400568 HEPAFAXQDUDHTA-UHFFFAOYSA-N 639.959 6.091 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(Br)cc1 1084453967 UCDBZEDYHPYTDR-UHFFFAOYSA-N 610.961 6.960 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Cl)cc1 1084504049 VPYNDUMAPCNCBN-UHFFFAOYSA-N 568.244 5.358 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCC(=O)O)c(I)c2)cc1 1084536851 CYKFJOAVYATSLH-UHFFFAOYSA-N 658.290 6.047 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cc(C)cc(C)c2)cc1OC 1084544377 ZFGLONRLQSZVGE-UHFFFAOYSA-N 665.168 5.337 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084619226 HRFXLOVAKBLPKP-UHFFFAOYSA-N 537.991 5.828 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc3ccccc3nc2Cl)C1 1614693575 RAWJTAZUSMWKGJ-PKOBYXMFSA-N 506.771 5.675 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686029 QJMMTVPYYPPLBA-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687204 LWNJQHAUOVJKJA-HHHXNRCGSA-N 545.014 6.092 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCCc1ccccc1 1865688310 PABUVJYSFJJELC-HSZRJFAPSA-N 533.510 5.134 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865689979 YGJHKQIEZRIHDW-LJQANCHMSA-N 536.213 5.242 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865693060 RCIBRUPFMAHXLK-JOCHJYFZSA-N 543.849 6.002 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865697032 UYTHRERRFWHNAF-AREMUKBSSA-N 507.034 6.079 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865702554 BLIHTRHYCSTBKY-DEOSSOPVSA-N 527.452 6.358 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703909 INVCJWNRKKCYHN-MHZLTWQESA-N 511.025 6.253 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865705573 ZGGDGGUPVBZRSO-LJAQVGFWSA-N 575.068 7.307 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865706748 DUFGVLMCCXZYCD-HKBQPEDESA-N 572.112 7.496 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713171 SQYGYUMJZJCQOP-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE CCC[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866796598 HUBIIDBWKFTYBJ-HXUWFJFHSA-N 502.434 5.299 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)Cc4cc(OC)ccc43)n2)c1 1868505605 JYZAJYKRTHLRTA-IBGZPJMESA-N 509.635 6.808 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752152 PELDSASFPLVXTJ-OEJOWEAXSA-N 501.995 6.471 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2I)c1Br 1922888429 QJYPUVPPTWCFHK-SNVBAGLBSA-N 629.775 7.433 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 1923073431 WXWFLHRJBKFYOD-BTQIBKBOSA-N 505.541 7.969 50 10 KKGE CC1(C)CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924571449 RTONOVAZMDKFDI-POYBYMJQSA-N 509.927 7.298 50 10 KKGE FC1(F)CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583253 HXIHKRYSNYBZSP-INEUFUBQSA-N 517.853 6.907 50 10 KKGE Cc1c([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)nn1C 2067855780 XHCHMTDHECXOJD-LURJTMIESA-N 542.316 6.215 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Br)cccc2Br)c1C 2082884869 NNFANLSCFYHUCI-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE C[C@@H]1C[C@H]1CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497021 DGPNOYGPYMVKNS-PRJMDXOYSA-N 568.767 7.609 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2111087427 UATZBEZTTGLFBQ-SECBINFHSA-N 572.769 8.135 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)cc1F 2175390633 CBTHMKKUUHWYKA-HNNXBMFYSA-N 515.961 6.379 50 10 KKGE CCO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398162 RNJGDVJQTBRHMT-RWYTXXIDSA-N 598.793 7.378 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2sncc2Br)c1 2252837068 JZHAWGLACAGIJS-VIFPVBQESA-N 504.867 6.109 50 10 KKGE Cc1ccc([C@H](Br)c2sc(C)c(C)c2Br)cc1I 2253509114 MQRNPIUKZBESDB-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)c(F)cc1Cl 2285945460 HTAUSHFZDZDWAJ-CQSZACIVSA-N 505.834 7.450 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198450 RPLNURYOYVEBEW-OAQYLSRUSA-N 587.293 5.547 50 10 KKGE COC(=O)C12CC3C[C@@H](C1)C(N1C[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C(C)(C)C1=O)[C@@H](C3)C2 2295064049 ILXKDWKSNKSZLB-QJSRPUGVSA-N 573.850 5.416 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2295357870 QJTMGJDACDMFRX-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(C)c(Br)s1 2295359570 IAUUDEVPNOXYKV-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE CC(=O)Nc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 2295459615 GBLUAQCVHLMSAO-UHFFFAOYSA-N 514.796 6.730 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 2297347324 IBCHLUOVPNWRIU-UHFFFAOYSA-N 537.975 5.840 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642541 NMSPCYRUGUNCPZ-PZOPZEARSA-N 720.661 5.130 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Br)cc1 2313518608 LCXHHLCACHSPHC-UHFFFAOYSA-N 617.281 6.886 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1 2313667560 PIPHBZXQGQYRKU-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(Br)cc3)nc12 2314532490 JLGDJOHWBODPKF-UHFFFAOYSA-N 570.230 6.410 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1OC 2314616429 AHKXYPUEYSDKAO-UHFFFAOYSA-N 644.772 7.125 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634506 BMJZRWZBIJFQJA-SANMLTNESA-N 523.372 5.848 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 2314634538 GYDWYMQGKMYEQT-XIFFEERXSA-N 544.607 6.420 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314647021 ZSEMQBNSQJLBRE-HKBQPEDESA-N 684.749 6.174 50 10 KKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(I)c1 2317773371 KRWNZPNGCHLHGU-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)OCc2ccccc2)c1C 2329654352 SVWCXFBSMJIVPJ-UHFFFAOYSA-N 508.983 5.789 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OCC)c1OCC 2331231670 NWPXMBGZLBVAHD-UHFFFAOYSA-N 512.631 7.623 50 10 KKGE BrCCC1(NCc2ccc(I)c(Br)c2)CCCCC1 2349847687 LVBIJDAIGXDBFF-UHFFFAOYSA-N 501.044 5.631 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2C[C@@H]2C(F)(F)F)c1Br 2362233315 ZBXFNMLJSLMKFW-HCWXCVPCSA-N 503.353 7.029 50 10 KKGE N#Cc1cc(CBr)ccc1OCc1ccc(I)c(Br)c1 2377642410 RHOXHPQXTWYDQE-UHFFFAOYSA-N 506.963 5.399 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)N/N=C/c2ccco2)c(Br)c1 3140552 MFFAGUOIHSLLPQ-BHGWPJFGSA-N 514.258 6.048 50 10 KKGE COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 12492063 VLHFBEAZOOMEIK-UHFFFAOYSA-N 524.415 5.082 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13582331 XYGHEQLKLQIUTM-UDXHRHDRSA-N 512.393 6.197 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N1CCCCC1 35446047 WMYQPQSNADXKAZ-BWAHOGKJSA-N 523.036 6.691 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 38604071 RLLFYLPAUNBQLD-OVVQPSECSA-N 508.622 6.029 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 38660340 UBCFTGFYGNOFPA-MUUNZHRXSA-N 514.578 5.566 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38681111 IUWKNYHZJKDMID-GDLZYMKVSA-N 512.562 5.079 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 38681875 QDGTZATVDDTISP-HKBQPEDESA-N 516.597 6.431 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 58890019 HSXPWXFXGMIAML-GXZQEHIMSA-N 511.416 5.309 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2I)cc1 59304171 AMUBVXIRXDEFDH-VULFUBBASA-N 510.331 5.689 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1OC 97914957 BSHPCPWDLVIOAH-HHHXNRCGSA-N 501.067 5.550 50 10 KKGE N#CC(/C(O)=N/c1cc(Cl)ccc1Cl)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 97968669 CQBJGBBFDILHSD-BOJFNEGLSA-N 563.293 8.015 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCOc4ccccc4)cc3)cc2)cc1 100158329 HHEHDOCXIVLWIL-UHFFFAOYSA-N 610.736 5.644 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869688 DMBICMPGLKATNC-PCHPKZPRSA-N 541.000 5.201 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 101014210 JFBOEZGFPHMHNX-GHOWJBLDSA-N 600.766 5.853 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 101339340 HZBHODKDBZMPDV-YZSQISJMSA-N 552.627 5.516 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380168 ZIUCUNISKFBWIS-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380514 IQUMJJXZDWQERK-GFJKYASSSA-N 564.613 6.558 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 101395316 OWDFKUZFNSMJQS-LJAQVGFWSA-N 538.600 6.675 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 101684562 OFCWUMTZUMYVQM-LPYMAVHISA-N 549.421 5.541 50 10 KKGE CCOc1ccccc1N/C(SCc1cccc([N+](=O)[O-])c1)=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 102737966 WGRAJWKGVKZADE-BYNJWEBRSA-N 562.648 5.450 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)N/N=C(\C)c3ccc(OCc4ccccc4Cl)cc3)cc2)cc1 103562746 YRISSGRAZCRCBX-KEIPNQJHSA-N 542.035 6.263 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N 103877734 GZPSHENMBFLYLH-IBBHUPRXSA-N 593.275 6.901 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(C)cc1 103880929 ACTBXXJRRIYNKC-KBVAKVRCSA-N 547.449 6.974 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 105064254 GACGGBCKXRDWNL-UXHLAJHPSA-N 537.454 6.519 50 10 KKGE CN(C)CCOc1ccc([C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](CCCl)c2ccccc2)cc1 110342035 PTYHAUDPISYCIX-SAIUNTKASA-N 514.109 7.751 50 10 KKGE CC1(C)[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 117316405 PBWKJSUVKQONQK-UWVGGRQHSA-N 588.392 5.285 50 10 KKGE Clc1cc2c(cc1[C@@H](Br)c1cc(Br)c(Br)s1)OCCO2 128554587 IRVXMVMXSCFKJJ-GFCCVEGCSA-N 503.437 6.182 50 10 KKGE CC(C)(C)OOP(=O)(OCOc1ccc([C@@H](O)CN(CCCCCCOCCCCc2ccccc2)C(=O)OC(C)(C)C)cc1C=O)OOC(C)(C)C 150357854 MZIRYGCRYSTKIB-UMSFTDKQSA-N 767.894 9.324 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432823 UZPXDGQOTKFAFZ-VXJJZJMSSA-N 673.593 8.686 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483813 NDCXHHIGZBJJLH-RUZDIDTESA-N 693.408 7.479 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214235364 VCWKUIQLGVMAIN-MIXAMLLLSA-N 536.676 6.665 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1=O 214239724 FNFGGXWUVBDPFT-UQQQWYQISA-N 509.566 5.620 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214286530 WMIHHLFXRNUGRV-HWIUFGAZSA-N 594.671 6.510 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 235816875 PHTKESZXWLEDAT-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)c(F)c1 236256056 QLSQZICUTBURTG-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE CC(/C=C\c1ccccc1)=NNC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br 252638183 XZTZICLQNCMYMB-NVMAEUTHSA-N 564.362 7.510 50 10 KKGE CCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530085 DCIQOWDTOXIBKI-MIKHJJJFSA-N 505.227 9.347 50 10 KKGE biogenic C/C(=N\NC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@H]2[C@@H]1[C@@H](C)C[C@@H]1[C@H]2CCC2=C/C(=N/NC(=O)c3cccc(Cl)c3)CC[C@@]21C 253565083 HHBZLPGKWFBREO-XTCHGRKMSA-N 619.637 8.320 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254381981 UOXGNSGJIYLDOP-UHFFFAOYSA-N 515.639 5.188 50 10 KKGE O=C(CCCc1nc2ccccc2s1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254628565 BXPRJYIJECQHDJ-UHFFFAOYSA-N 525.552 6.248 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1CSc1nc(C)cc(C(F)F)n1 254758077 KSZRWIJGOKXZPQ-UHFFFAOYSA-N 511.381 6.094 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 254839087 YYGQCZQMIFIERT-UHFFFAOYSA-N 540.645 5.059 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024861 ISLUIHYFJMYECW-LIENWKSCSA-N 588.509 8.930 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)ccc1OCc1ccc(Cl)cc1Cl 256025722 MDCBUTPELFXVJH-NGDPCPQLSA-N 606.574 6.888 50 10 KKGE C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](I)CC[C@]5(C)[C@@H]4CC(=O)[C@]23C)O[C@]12CC[C@@H](C)CO2 261493266 LSSCSKHAALBXBQ-PFPVNNRTSA-N 540.526 6.416 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 380024460 UXHZOJZFFXHKLZ-CQSZACIVSA-N 528.409 6.126 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(I)ccc2F)[C@@H](CBr)C1 382734174 WBGKFTJGRVSKJZ-YOEHRIQHSA-N 518.164 5.177 50 10 KKGE CC(C)(C)c1cccc(N(C(=O)CCl)[C@H](C(=O)N2CCN(C3CCCCC3)CC2)c2cccs2)c1 725239092 WMABNPIQIGQWME-SANMLTNESA-N 516.151 5.836 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1083908932 HYWVRYQLEGTQOP-UHFFFAOYSA-N 609.480 7.466 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(F)c1 1084179228 VTZUIPVEHQHZOA-UHFFFAOYSA-N 544.320 5.528 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 1084199339 UXPHIDLRIMJTTE-QFIPXVFZSA-N 519.798 5.785 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1084234869 PZVYVEPCZBHVJQ-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2)cc1 1084272539 DWYVQHBNEFHJBW-QUPMIFSKSA-N 516.645 5.929 50 10 KKGE O=C(NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Br)c1 1084341819 FBMLYNCAZITBQQ-UHFFFAOYSA-N 508.250 5.932 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084575212 JLLXHKUDBGMUJJ-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cc2cc(Br)ccc2o1 1084650332 FPZNPQGNLRVLQU-UHFFFAOYSA-N 594.896 8.737 50 10 KKGE N#CC1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C2=C1OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 1088661282 OHMMJBDIFSSDMG-NOZRDPDXSA-N 508.925 5.451 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1Cl 1772746093 BMVPGDUDYRSOHW-UHFFFAOYSA-N 515.795 5.430 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865681947 BJPQMASQUBLMHP-MHZLTWQESA-N 500.558 5.928 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OCC 1865690872 DBKLFEVNHVQZBD-GDLZYMKVSA-N 508.622 6.520 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865690958 FXEFOJIIMURZPA-HSZRJFAPSA-N 544.549 6.275 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1O 1865696687 QDXUEUKGKFLYIE-OAHLLOKOSA-N 541.711 5.239 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865697245 YIJNTJGPRHSPTQ-SANMLTNESA-N 516.642 6.155 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697820 CKDMVDUVJKVKCB-HSZRJFAPSA-N 537.458 5.660 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)c1 1865703011 KTTDMTUXUKOVEB-YTTGMZPUSA-N 552.678 7.321 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865705277 QHVDLOOROHVLHN-XMMPIXPASA-N 517.416 6.851 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712101 PPXGSFNKNSXODI-MHZLTWQESA-N 543.539 5.590 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866744241 XHTZLAHKHRUGFB-CLJLJLNGSA-N 505.615 5.600 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc4[C@H]3c3ccccc3)n2)cc1 1868320606 LYYJYPLMJSCHII-MGBGTMOVSA-N 553.735 8.656 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 1872746688 TWHKVUWTHPUGFR-IUXHBZJFSA-N 508.397 5.917 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)\c2ccccc2)cc1 1872753489 ZNDLEIUFALUABW-YBPUJKHQSA-N 503.627 8.112 50 10 KKGE O=C(c1scc(Br)c1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915765315 HJKWIDHAWGNSOV-UHFFFAOYSA-N 522.100 6.233 50 10 KKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995285704 JVZOCMKVWCDFTD-HNNXBMFYSA-N 506.609 5.714 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)sn2)cc1Br 2056487253 JDGBWTUCERFJAF-GFCCVEGCSA-N 502.997 5.393 50 10 KKGE COc1ccc([C@@H](N[S@@](=O)C(C)(C)C)c2cc(OC)c(OC)cc2P(c2ccccc2)c2ccccc2)cc1 2080761413 HTFPPZYPDKBJEA-FADDAYQUSA-N 561.684 5.612 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c1C 2082883561 GMZIWANRKMDTHI-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE Cc1coc(C)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473264 NBVQIVWHYMLGKM-CYBMUJFWSA-N 580.734 7.431 50 10 KKGE CCC1(C)CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473381 OGZDHPRHMKHIOV-XXCWSLKQSA-N 582.794 7.999 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3ccccc3I)cc(Br)c2O1 2146628535 OLPBTLKFNZLRCT-PSLIRLAXSA-N 507.991 5.861 50 10 KKGE FCC12CC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206398833 ZKDUSHYYQNYNMK-HIFPTAJRSA-N 556.289 6.535 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)s1 2229326049 QNZRIBRBQAXXIU-LBPRGKRZSA-N 514.020 5.843 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCC(F)(F)C(F)(F)F)C1 2231728343 BLWSRSDBSBIRDG-AWEZNQCLSA-N 501.274 5.186 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 2256135024 BGAJQQOJHUEASW-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE COc1ccc([C@@H](Br)c2sccc2I)c(Br)c1Cl 2256326160 XNTISGMZAOKLNA-SNVBAGLBSA-N 522.427 6.262 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1I 2269545254 QJFJTUBWQDPYFC-CQSZACIVSA-N 607.849 6.151 50 10 KKGE FC1(F)CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2277735075 RGWGJJLGOZVDTJ-CDUCUWFYSA-N 590.720 7.608 50 10 KKGE Fc1cc(Br)ccc1CO[C@H](CI)c1ccc(Br)cc1 2281372600 MXBMACAYBKRZMX-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE COc1c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)csc1Cl 2284303289 GLJTWXJGWLQGGW-MRVPVSSYSA-N 633.219 7.944 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1 2296063125 FZIZTHXDGZVHIR-UHFFFAOYSA-N 528.015 7.712 50 10 KKGE CC(=NNC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Br)cc1 2297640011 CUWUBFYRXSXJQZ-RUZDIDTESA-N 662.372 6.566 50 10 KKGE Cn1nc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2299492316 HVSHLMBEQGORRZ-HNNXBMFYSA-N 516.031 5.403 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568752 YFWYWHKDVSITQZ-UHFFFAOYSA-N 520.402 5.423 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314452925 RPOLHEDJBURZCI-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592548 XFNOOGYEVGAKFC-VWLOTQADSA-N 535.591 6.894 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314616633 GBGKLGHHPUAETD-UHFFFAOYSA-N 584.720 7.599 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 2314634058 HLSTZUFJYVHCPY-WJOKGBTCSA-N 500.554 6.103 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634812 ORAIRQLUAAEBNT-VWLOTQADSA-N 521.356 5.617 50 10 KKGE Cl[C@@H](c1cnsc1Br)c1c(Br)c(Br)cc(Br)c1Br 2315642040 HLFUGLPIGZRITF-VIFPVBQESA-N 604.181 7.284 50 10 KKGE Clc1cc(CBr)ccc1Oc1cc(Br)cc(I)c1 2316846935 HQUSLQHRABSCJL-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)n2)cc1 2331418209 GQAHEHZJGVPMCI-UHFFFAOYSA-N 521.469 8.331 50 10 KKGE C[C@@H](Br)CN(C(=O)c1cc(I)ccc1Br)C1CCCC1 2368848214 WOGGAGIYPNSERE-SNVBAGLBSA-N 515.027 5.222 50 10 KKGE CCc1cccc(CC)c1NC(=O)CS/C(Nc1cccc(Cl)c1C)=C(/C#N)c1nc2ccccc2s1 3223103 CWLFDUFCBSSRSK-HFTWOUSFSA-N 547.149 8.059 50 10 KKGE C=C(C)Cn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 27520605 JLGOOYNAYYAFCY-MYYYXRDXSA-N 518.868 5.570 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2)c1cccc(C)c1 40822769 JEIDNKPPHRFFNG-MUGXBBEHSA-N 505.618 6.701 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc2ccccc12 50574967 FJHDYAOLSFUQOZ-BKUYFWCQSA-N 510.391 7.130 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59157108 XPLYEZZRGXIDBC-JCUPVDEDSA-N 517.629 6.334 50 10 KKGE O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 100058064 TVWFNDHLPXJJQQ-DNJOOXRZSA-N 620.754 6.252 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCCCCC)c(Br)c2)cc1 100173441 WFAWQQRKQQLIRO-UHFFFAOYSA-N 578.573 6.317 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100208646 CBWARFOASNLFDH-UHFFFAOYSA-N 566.496 6.109 50 10 KKGE CCCCCCCCCCCCCC(=O)NNC(=O)c1ccc(OC)c(I)c1 100442938 AAJMIKUEZCVPFB-UHFFFAOYSA-N 502.437 5.762 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 101014136 HGJKUBJSEBHACY-VEFMAQOUSA-N 609.752 6.150 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379218 JESWSJJPWPNYTG-YTTGMZPUSA-N 581.068 7.391 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380345 KZMJGQQWOBAWIU-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381752 JSAHSBRSGXQKMI-XIFFEERXSA-N 560.650 6.766 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386331 PJNVSYLFBACWOD-UUWRZZSWSA-N 625.121 7.428 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101387290 GCAICLLTBYBNDB-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101390619 RNFFPDBGXVBDCC-JOCHJYFZSA-N 537.424 7.044 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101392485 INTLKFDYZOYDQV-SANMLTNESA-N 551.426 6.784 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101393137 CYXPMEAYVFFKBZ-MHZLTWQESA-N 575.086 7.570 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2cccc(Br)c2)cc1 101727636 PATBTGVYBGLYAH-XODNFHPESA-N 572.937 7.047 50 10 KKGE Cc1ccc(OCCCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 101766670 IQBOANAGBBNKSC-LQKURTRISA-N 560.286 6.408 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1cccnc1 102834418 VLKCPDDGLIFTFL-ONUIUJJFSA-N 546.030 6.390 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(C)c1 103880878 YDKRDAKKLIQJGY-QLQYKETESA-N 608.536 7.875 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 104803653 DXSQSTMPSLVTBE-UHFFFAOYSA-N 591.355 5.448 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150460313 AICUULUQFCPWSW-HKBQPEDESA-N 637.903 7.437 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 150477984 RTCVPJHQPPKZNM-LDADJPATSA-N 621.241 7.038 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485388 JKRQAQSTGXYYOJ-JGCGQSQUSA-N 629.496 7.583 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 163380614 KUMRZKAVIKWXKI-WEMUVCOSSA-N 666.639 7.918 50 10 KKGE O=C(CCCCCNC(=O)c1ccccc1Br)NN=Cc1c2ccccc2cc2ccccc12 252625587 QNHFZOKIKYLHDK-UHFFFAOYSA-N 516.439 6.196 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 254483989 ZUIPOZVXCIQBHS-UHFFFAOYSA-N 647.757 6.324 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2C2CCCCC2)cc1 254749898 IUKOXTKVUQDNID-UHFFFAOYSA-N 539.705 6.580 50 10 KKGE CC(=O)O[C@@H]1[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CO[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 256015992 ZMHSQCDYRJMLIO-XEZIGOATSA-N 664.991 6.352 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 263628226 XYLDASNXEIRSQW-CJKLDRCHSA-N 559.651 5.796 50 10 KKGE C[C@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696715392 WTGZYPKIHJXDIA-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE Cn1nccc1CC1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238183 FFOFLLIBYMHLBB-QHCPKHFHSA-N 539.023 5.295 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Br)cc2)c1C)S(=O)(=O)c1ccccc1 725425074 AVLQIEJZVPBNJA-UHFFFAOYSA-N 595.519 5.211 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1083957422 BSLDBCPKNBTLMO-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1Cl 1084243303 UWQIMDWFCZOAEY-UHFFFAOYSA-N 606.698 7.353 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c1 1084294894 HTWHSJAYWAZDEE-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE COc1cc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1OC 1084318862 GPBKYKIWZKCFDK-UHFFFAOYSA-N 532.660 6.222 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(C)cc1 1084463487 COWWORJXGAVSBI-UHFFFAOYSA-N 613.567 6.372 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 1084480721 WCTZCDNIPVGOLD-QFIPXVFZSA-N 617.409 5.429 50 10 KKGE Cc1cc(C)c(C(CSc2nc3ccccc3o2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 1084502664 KNAZTPLZDPIBFA-UHFFFAOYSA-N 519.539 5.496 50 10 KKGE COc1cc(C=NNC(=O)c2ccncc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084629010 XCJKXYGSQSOBDE-UHFFFAOYSA-N 556.187 5.345 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 1772745720 FQDDDXIHHVTIBS-UHFFFAOYSA-N 519.557 5.825 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([S@@](C)=O)O[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1775963531 MEIKKMCUTRNHMT-YQDDQRKGSA-N 679.405 5.437 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687778 AHTCNBAYOWQXPN-GDLZYMKVSA-N 538.623 5.871 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865693698 LVCCGPJFJXXFOS-YTTGMZPUSA-N 568.677 7.103 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865694543 WYIHNGQOSONXST-MHZLTWQESA-N 512.997 6.030 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695417 OLRQPHQUONDLFY-NDEPHWFRSA-N 506.606 5.939 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697430 SHGRKRZXNHKUMP-HHHXNRCGSA-N 507.594 5.068 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cc(Br)cc(Br)c1O 1865701172 OGKFJGGCJOLRCP-AWEZNQCLSA-N 556.136 5.340 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1OC 1865701495 WWBIWZHTHJAJGY-QFIPXVFZSA-N 529.394 5.537 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Br)cc1 1865714779 PXZPOPUJLYVJQC-LJQANCHMSA-N 511.301 6.025 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)OCCOc2ccccc2)c1C 1866132033 YSKQKOBPAMQABR-XMHGGMMESA-N 583.460 5.777 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866716039 BJFGPNZDAPOAJI-IZLXSDGUSA-N 515.654 6.266 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866979987 MFUMADSBSUCXBR-UIOOFZCWSA-N 503.624 5.080 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n1)[C@@H]2CC(C)C 1868544347 CLQUOZGINUUWSY-WJOKGBTCSA-N 561.799 9.216 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872753123 IFZKTRYCDZFGBB-ROMGYVFFSA-N 502.555 6.037 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)c(OC)cc1Cl 1872793632 KTYKSASVXAPNCK-RGVLZGJSSA-N 519.022 7.132 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)\c2ccccc2)cc1OC 1873920980 OKJPVWPFSHBMQO-SMYCZENUSA-N 510.615 7.178 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1 1922897942 QYFPQCXYVJSICB-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Brc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924594005 JRLCGZZVPOAMCV-MRVPVSSYSA-N 582.775 7.477 50 10 KKGE COc1ccc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924601486 XWIRRBYGZMPEFB-SNVBAGLBSA-N 554.323 7.135 50 10 KKGE FC(F)Oc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924602181 TYTCKYYNKPSUJN-VIFPVBQESA-N 511.407 6.965 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]23)c1Br 1924613976 MCASUPGJDXZYNF-RULNZFCNSA-N 507.911 6.908 50 10 KKGE C[C@@H]1C[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997173512 KYYUAXXIHAXWAO-VQVTYTSYSA-N 511.899 6.287 50 10 KKGE C[C@]1(C(F)F)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2008185018 ACNCJEBJXSRGGJ-XZEGNCFFSA-N 517.853 6.763 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2016568785 UUVHYWLHXNBSBS-RQXIQXTJSA-N 505.895 6.374 50 10 KKGE COc1sc([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 2034629947 RMVAYMLSOVDEKY-NSHDSACASA-N 522.427 6.262 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1csc(Br)c1Br 2054163436 YTBHTIOXFBWBBL-QMMMGPOBSA-N 509.045 5.387 50 10 KKGE COC(=O)C[C@@H]1CC[C@@H]2O[C@H]([C@H](C=CI)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1 2054663963 MIEJSEPCTMXSCI-VCBRDWNQSA-N 771.011 8.984 50 10 KKGE BrC[C@@H](Cc1c(Br)cccc1Br)c1ccccc1Br 2094096147 VBCUKEXRUAJFQA-SNVBAGLBSA-N 511.877 6.695 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Br)cc2Br)c1 2116825074 XZBXOPYCKBCVBL-UHFFFAOYSA-N 513.849 6.970 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCOCC1 2141468719 MXAITDFJWJLMSY-CPFSXVBKSA-N 540.315 6.833 50 10 KKGE F[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471871 XEQAGXCIDYXUEF-NFNXHLSSSA-N 542.306 7.545 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2154373880 QXOLKGQDLGPMAF-DFNIBXOVSA-N 512.717 6.629 50 10 KKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F)C(C)(C)C 2179833342 BJGWGCDGFSHSQP-AWEZNQCLSA-N 521.290 6.109 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)cc1C 2236013272 VWBXJDDUNJSZME-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccccc1I 2272722389 SJZVZLOFQFPTDT-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE CCc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sc1Br 2277892852 WZYOJWIRSGHYBS-LBPRGKRZSA-N 531.933 7.277 50 10 KKGE Brc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278022470 OVBOPRRQEBEZTJ-ZDUSSCGKSA-N 545.941 7.735 50 10 KKGE COc1c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)csc1Cl 2284308186 DUHMLSUCYRCKDZ-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Br)cc1 2294619941 PKVICSPMUSXIJJ-UHFFFAOYSA-N 578.098 7.626 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@@H]2CCCO2)CCCC3)ccc1OCc1ccccc1 2295838613 OXWQAHXUZRWYLR-VWLOTQADSA-N 585.726 6.059 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C(=O)OC)c1C 2296789928 BVWOKZAAIZXHHJ-UHFFFAOYSA-N 503.605 6.273 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458536 NEADWSBCPRCFNL-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(F)c1 2313570635 BMFOAQSPJFFFAV-UHFFFAOYSA-N 611.238 7.260 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Br)cc1 2313667083 FNNYCXRYPRYFIO-UHFFFAOYSA-N 505.412 6.535 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccccc1 2314487676 HKRDXXQBQQSKCD-UHFFFAOYSA-N 512.591 5.070 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 2314616722 IFODTFRGLFPMSV-UHFFFAOYSA-N 616.718 6.570 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2321697728 SVLKZBAOYNPXCN-UHFFFAOYSA-N 520.029 5.511 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 2321721533 ZZUUWFPZCCGHOG-HXUWFJFHSA-N 502.011 5.025 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc(Cl)c4)cs3)CC2=O)cc1OC 2331294031 HPETZSGSOOISJA-SFHVURJKSA-N 510.015 5.365 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OCc1cccc(C)c1 2331424953 OUSHLHWHEZXFAP-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1OCc1cccc(C)c1 2331443889 IYHMAATYHXECFO-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE COc1ccc(C(OC[C@@H]2OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2333240203 URLPBMMJULLWTE-SGVJMHFGSA-N 750.990 9.463 50 10 KKGE ClCc1ccc(Br)c(OCc2cc(I)ccc2Br)n1 2341551805 HPEPMQPMMLLXOC-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE ClC[C@@H](Cc1ccc(I)c(Br)c1)c1cccc(Br)c1 2349852931 MVYIAXCXWDLCGG-GFCCVEGCSA-N 514.426 6.381 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2362241414 XAQZUIUQABLDSP-SNVBAGLBSA-N 554.277 6.467 50 10 KKGE C[C@@H]1CC2CC([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368125119 FVLRHCKSVRXGHS-QJSBWAJCSA-N 552.326 6.974 50 10 KKGE COc1cc([C@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccc(Cl)c(Cl)c1 664542 FIDZTXFDXXOGBB-CYFREDJKSA-N 523.445 5.738 50 10 KKGE CCSc1sccc1[C@@H]1C(C#N)=C(N)N(c2ccc(Br)cc2C)C2=C1C(=O)CCC2 9981461 NEAVUGSHHFDAAT-HXUWFJFHSA-N 500.487 6.236 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684182 LNBHFFWWQBOFFN-NDEPHWFRSA-N 514.578 5.566 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C)cc5)ccc43)c2)cc1 38686604 DQYPOCORUXPRHI-PMERELPUSA-N 502.570 6.320 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)oc2ccccc12 38687894 CKTZTXWBCFHWDW-HSZRJFAPSA-N 501.336 5.941 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1C 39858846 UGXZMYKHYQHTPJ-ATVHPVEESA-N 505.361 5.956 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1 40529993 ZKDPNFKTYBPQMP-GDLZYMKVSA-N 512.606 6.075 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 48573633 RQXRUKRPTCSIDY-RWPZCVJISA-N 513.819 6.383 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C)cc1 58891634 LCGLEKJYYAVLIE-WYDFGVIMSA-N 525.443 5.699 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 58895452 SUZPOOHDSQNNDU-WVVPCBRLSA-N 511.416 5.391 50 10 KKGE Cc1cc(NC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1Br 59678760 KZBPEKRKKDAOBI-OPEKNORGSA-N 503.784 5.672 50 10 KKGE Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(C)c1 100114002 VVFHERLXPOSIID-ITGWPROISA-N 608.163 7.851 50 10 KKGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100148727 VNVAPQQTBZZPOX-UHFFFAOYSA-N 560.720 5.611 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1 100233706 LITBCKRRUDRUOB-JNJFLXMWSA-N 591.502 6.553 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 100360494 BEFMNWSPLVJJLP-LICLKQGHSA-N 532.221 6.889 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 101336218 LATOUCLGDCFGQU-OVVQPSECSA-N 587.120 6.779 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369341 JTOXDHKIVVYUBY-YTTGMZPUSA-N 546.623 7.485 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(F)c1 101370111 VZFWUCRQRLYRFA-KRWDZBQOSA-N 588.633 7.295 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101372286 LECIKOMYYMMAFK-XIFFEERXSA-N 584.713 7.154 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 101378435 DKMZLEVGMYMNEB-SANMLTNESA-N 533.968 6.255 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379059 BFMUDVFCLIXIKD-HKBQPEDESA-N 553.014 6.430 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 101381800 OHEJWZKFAGGEEC-HKBQPEDESA-N 553.014 6.430 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386747 YLHDXTULODMQFA-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387775 MSZRZZJKDHYTBJ-UUWRZZSWSA-N 592.648 6.184 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101393014 LKWMCVDZXTZKHH-NDEPHWFRSA-N 538.556 5.418 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101395190 BJXBBUGQWOBYDA-XMMPIXPASA-N 559.372 5.728 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101395675 KHWRHTWCLOREGK-JGCGQSQUSA-N 580.681 7.763 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)oc2c1 101398376 ZZTFHHSOTJUUJQ-HKBQPEDESA-N 577.036 7.719 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405759 NAOYFRMDSKBXPH-LZAZYHHXSA-N 553.423 5.170 50 10 KKGE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 101405842 GEEQCOLORHPYMZ-HXCVMZKZSA-N 588.689 5.073 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12 102933339 SLANUFNDIMGBSF-ZHZULCJRSA-N 556.372 6.584 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1 103806393 HMBVOHDHVZUXRH-KBVAKVRCSA-N 597.678 6.689 50 10 KKGE O=C(COc1ccccc1I)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 103874370 WKPRVEZLLGWSOS-AUEPDCJTSA-N 591.652 5.980 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc2ccccc12 103888411 ORISPLVZEVDZTP-IWIPYMOSSA-N 541.445 7.434 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc(C)c1C 107923913 GPDNCJGYDLFXPV-QNGOZBTKSA-N 526.618 5.949 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 150387359 KIPRLTJNLSODFO-UHFFFAOYSA-N 676.431 5.784 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150432061 HEUBTVSJVQSDJN-PMERELPUSA-N 627.093 8.109 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 150441804 ZKQCYIKYVLMGMS-YTTGMZPUSA-N 661.936 7.283 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 162430984 LWBVOAIQGWOXQQ-IKKNOINJSA-N 660.513 5.623 50 10 KKGE C=C(C)C(=O)OCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)CCCC)O[Si](C)(C)O[Si](C)(C)CCCC 202903847 LRSPGVMUSHOYDO-UHFFFAOYSA-N 581.136 8.048 50 10 KKGE CCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 214373622 YDFPCGMJLILCTH-KQWNVCNZSA-N 518.610 5.116 50 10 KKGE O=C(COc1cc(Cl)ccc1Cl)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 252622682 OAKDRKPOYCJSLP-UHFFFAOYSA-N 504.373 5.593 50 10 KKGE Cc1cccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 254484578 RUNMVNSKCSCZSI-UHFFFAOYSA-N 529.600 5.516 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C/C(Br)=C\c2ccccc2)cc1OC 254635063 WPZGRCTZODFGQB-AZSXGVQKSA-N 534.410 5.013 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@H]2Br 256018979 DLAKNMUSOIERII-NYPICOJZSA-N 656.503 8.334 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(Cl)cc2)cc1 725428030 ZVBLJRDENIPEQY-UHFFFAOYSA-N 539.963 5.103 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1Br 1083997352 IKXQMGOHNKLEGW-UHFFFAOYSA-N 522.624 6.208 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(I)c1 1084021415 COJXSYYEHOAGHM-MHWRWJLKSA-N 536.200 6.551 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Br)cc1 1084022244 RJUBJKDTIMSEMJ-UHFFFAOYSA-N 551.470 5.236 50 10 KKGE BrCN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084085829 XTXKDLJRXBBSMC-UHFFFAOYSA-N 541.956 5.754 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Cl)c(Cl)c1 1084172023 DQVRYQKGUQLGCE-UHFFFAOYSA-N 511.472 7.503 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084255149 WJMCAABPHWXUHO-XMMPIXPASA-N 590.858 5.952 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c2ccc(Cl)cc2C)cc1 1084263885 IVXLRCCUDCPXAZ-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 1084392511 TYZCWVQDGAHGJL-UHFFFAOYSA-N 564.889 5.237 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1 1084425728 JBJJTLAFBALBBR-HZHRSRAPSA-N 595.335 6.355 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2)cc1 1084486521 PXYKGVWIKGJTPM-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE Cc1cc(C)c(C=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C)c1 1084561717 ZXJRXTISTLBLHB-UHFFFAOYSA-N 504.222 5.819 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@@H](Cl)[C@@]2(O)C=C[C@@H](C)[C@@H](CC[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 1085210837 DUYDNPDLGLCXCC-BBHHTDMSSA-N 585.298 7.027 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745607 CLBOXLOZHITJEU-UHFFFAOYSA-N 526.036 6.554 50 10 KKGE CCCCOc1ccc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 1772754078 BPBXWKGNAUVBKB-UHFFFAOYSA-N 511.416 5.833 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1772760541 UDLVCRDPWJBNHG-UHFFFAOYSA-N 529.405 5.340 50 10 KKGE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O[Si](C)(C)C)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 1848440993 NFWVXGBPJWRWFI-ADKVMAMHSA-N 593.620 6.728 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686419 VQERPMVAHMRGQL-XMMPIXPASA-N 500.961 5.926 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865689926 GQKIXXHIPCQWKH-DEOSSOPVSA-N 511.453 6.919 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690452 RTPZENJZIGJQIR-AREMUKBSSA-N 545.470 7.633 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865692020 HMIHNMPAILXLAG-NRFANRHFSA-N 517.468 5.660 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865697024 UOOXTJMNGFXZCE-JOCHJYFZSA-N 546.977 6.399 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1865699139 LVTHYFZVEIVRBV-LJQANCHMSA-N 518.326 5.967 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700851 GAGDGQZETGATPB-LJAQVGFWSA-N 539.079 6.951 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1OC 1865701494 WWBIWZHTHJAJGY-JOCHJYFZSA-N 529.394 5.537 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701607 ZHYBCALIHKPZTM-SANMLTNESA-N 565.888 7.582 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)c1 1865701715 CLGMTBJWJQBOIC-SFHVURJKSA-N 521.312 5.687 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865702218 PPBAHFVMFWZPFL-AREMUKBSSA-N 528.031 6.455 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704013 KRFUVSRMEWXXKG-MHZLTWQESA-N 561.469 6.937 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706387 VKUGZKNXDJJVSK-MHZLTWQESA-N 536.632 6.083 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 1865714022 BAYXQLCGFKDSRI-INIZCTEOSA-N 544.158 6.238 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714042 BEEOANFCGRTFTQ-FQEVSTJZSA-N 500.342 5.023 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866780836 ODCWLBMDKWVYBO-FQLXRVMXSA-N 559.613 6.565 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H](c2ccc(F)cc2)O1 1868207551 NIKVZYVGVXHDTA-RXFWQSSRSA-N 511.626 6.490 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)n2)cc1 1868528225 QFDSEUMJUZGYBQ-VWLOTQADSA-N 542.108 7.724 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872756791 AYWTZGSCDLNXTM-WBVCGYLZSA-N 507.999 5.894 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccc(C)cc1 1872781198 XXKSVHFXAIPOQK-LPYMAVHISA-N 517.448 7.533 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](C)CCBr)cc1Br 1915094118 DCTOPWMSDFBLPB-CQSZACIVSA-N 554.142 5.884 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Br)c1 1915295474 KQIHPGQEMPXHGL-GOSISDBHSA-N 509.691 5.713 50 10 KKGE O=C(c1cc(I)ccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915315377 WCWVVBPHFVKIBV-SFHVURJKSA-N 563.071 5.870 50 10 KKGE BrCC1(N(Cc2ccccc2)Cc2ccc(Br)cc2Br)CCC1 1915742041 RCXZKMFYJXBTKU-UHFFFAOYSA-N 502.088 6.531 50 10 KKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924616788 STXZJKGBIUSAHJ-ZRUAGYDASA-N 535.965 7.544 50 10 KKGE Cc1csc([C@@H](Br)c2sc(Br)cc2Br)c1Br 1939883095 ZMCWTZPOLOCVQW-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 1950174206 UQXNLPLGKOUCRH-OOJXKGFFSA-N 507.911 6.908 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1c(Br)cccc1Br 1950209313 AJUYPKOFNSEZMV-NSHDSACASA-N 503.879 6.828 50 10 KKGE Cn1nc([C@@H](Br)c2sc(Br)cc2Br)c(Br)c1Cl 2001991261 GCNHTJLRUPNGHI-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CC[C@@H]2C3)c1Br 2025779199 DNTAZSIFHLUBJC-VVEMVBODSA-N 552.724 6.973 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085493497 CJAYJTXDPGAIEC-WKEGUHRASA-N 570.783 7.855 50 10 KKGE CO[C@H]1C[C@@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471627 UKRDTXGGQPWSFM-RNJXMRFFSA-N 584.766 6.988 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2141472370 CQHNZDGZGJBUJI-HIVVXGBYSA-N 582.750 6.598 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCC2)c1Br 2141476138 XATATHYCIBFHRN-RGNHYFCHSA-N 580.778 7.609 50 10 KKGE Cn1nc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1Cl 2167051332 UGYGITSBUSFLGI-RXMQYKEDSA-N 517.390 6.163 50 10 KKGE BrCC(CBr)(Cc1cc(Br)ccc1Br)c1ccccc1 2175150872 XAHCORHWHLJTGV-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(Br)c2Br)c1Br 2201069562 KXRCCNKMDCRIEM-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCC2(CC1)CC2 2206395878 QLKBRPHFRPLXNJ-CQSZACIVSA-N 550.354 7.987 50 10 KKGE FC1(F)CCOC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396988 CWKZRRANNLBPCD-CDUCUWFYSA-N 606.719 6.844 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399686 KMTLLRSSJWMUTL-LLVKDONJSA-N 659.634 7.200 50 10 KKGE C[C@@H]1O[C@@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206401275 IJLVWEIHANOZNU-FMMZJVGLSA-N 596.777 7.130 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)cc1I 2217865304 UQJGVNWJCGBDQD-VIFPVBQESA-N 540.873 7.168 50 10 KKGE CC(C)(C)N1C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2222473827 UEGXNDLUKZGTSG-RNFRBKRXSA-N 524.942 5.997 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c(C)c1Cl 2232528976 VNMZEZLFLQJAGZ-AWEZNQCLSA-N 593.322 7.571 50 10 KKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1I 2257355359 HMZHBVVRPXINHC-SNVBAGLBSA-N 566.878 6.371 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2267663669 QUKUTHDKAYSBLQ-ZDUSSCGKSA-N 516.011 6.616 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(I)ccc2Br)c1 2277960284 ZFMLYADJWUIZFU-AWEZNQCLSA-N 623.746 7.257 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2278096259 JEGXKXSJQZGBAY-ZDUSSCGKSA-N 532.035 6.953 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)c(C)cc2Br)cc1I 2284999164 OSPTXYIBOKJCAB-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198416 KZLFMZZYLMZXGN-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295333366 JKTVKZNZJZTBDL-CYBMUJFWSA-N 529.867 7.100 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1 2313518170 PCQWXOKGWDCDBR-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 2313543615 VIGJLFLCMPAEAC-UHFFFAOYSA-N 564.711 7.149 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314479192 CGEPOLLNMPMUIA-RUZDIDTESA-N 661.788 5.303 50 10 KKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1C 2314498407 UFVAZFOXUXDIMV-LJQANCHMSA-N 500.683 7.797 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592593 YHTBGUMOZQHVKL-RUZDIDTESA-N 535.591 6.696 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593743 SEJIBMCZGCHVLK-QHCPKHFHSA-N 575.996 6.093 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314610902 OBZSKWQTRDGURC-UHFFFAOYSA-N 570.693 7.065 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314617592 IFARKWTVXQMHMP-UHFFFAOYSA-N 583.475 7.037 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634778 KRKWFZIXUXGELL-YTTGMZPUSA-N 573.089 7.535 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2316833614 CXVKEBQODZHPDC-GSVOUGTGSA-N 518.283 6.451 50 10 KKGE CCN(C[C@](C)(CBr)OCc1c(Br)cccc1Br)C(=O)OC(C)(C)C 2318204868 ZKPNRWPHIRCGSG-SFHVURJKSA-N 544.122 6.139 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)c2ccccc2)cc1 2331385467 GKMRJDKZMLPISX-UHFFFAOYSA-N 510.615 7.259 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331416010 GUXJZTZKNNZXDH-UHFFFAOYSA-N 507.163 6.013 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2333303766 SHQYFAOPZQJDCW-WQRVWIMNSA-N 582.750 6.740 50 10 KKGE BrCc1ccc(OCc2cc(Br)cc(Br)c2)c(Br)c1 2337069546 QKHNYKYXRUPBEW-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2sncc2Br)c1Br 2339690882 LLMOXHFWLCWGKC-JTQLQIEISA-N 534.893 6.232 50 10 KKGE BrCCC1(NCc2ccc(I)c(Br)c2)CCSCC1 2349834064 XYHAPSXJFQEDHD-UHFFFAOYSA-N 519.084 5.194 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)Cc1ccc(Br)cc1 2360494825 XDBYIEFOZJFRIE-SECBINFHSA-N 505.834 7.336 50 10 KKGE Cc1cccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1Br 2365186691 SSQJYUMYQZPEOC-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38660263 OSWPTPWZOMBKEU-PMERELPUSA-N 528.605 5.775 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678766 IDCAUDYAHJBKEE-PSLXWICFSA-N 509.331 5.179 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 39993138 RPAZGLROYVYWRX-CPNJWEJPSA-N 518.495 5.977 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 59305317 WBVSIKSXVDJANV-FMFFXOCNSA-N 516.601 6.322 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 59335266 CCLGJRAHQPSWEA-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE COc1ccc(N2C(c3cccs3)=CS/C2=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 97984753 GEJPWZORLBWULM-SLEBQGDGSA-N 540.674 5.618 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100213642 LPMKQRIRCAJEMZ-PMERELPUSA-N 549.671 6.522 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 100232156 UMQXGBJOIPVARD-KPHTWCJLSA-N 561.476 6.544 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100452441 AAZCIOBGTDJIFQ-PEHSQKLVSA-N 586.324 6.483 50 10 KKGE O=C(Oc1ccc(Br)cc1/C=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 100998804 HAKABMAYJUEWTA-KNVHILBGSA-N 618.325 6.887 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101033962 WGCLWLOFDINEEV-CPNJWEJPSA-N 517.522 7.302 50 10 KKGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@@H](c2cc(Br)ccc2OCc2ccccc2)O1 101060441 VMBVSOGQHBHLNV-RUZDIDTESA-N 554.353 5.101 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113152 HOJKWJUTDLRAOI-UQRQXUALSA-N 558.436 5.699 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242176 DZKZTEVJPUHTMH-MZOFLMDJSA-N 506.027 5.799 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101338572 VRTPJHWWYZWLMH-WPWMEQJKSA-N 506.606 5.861 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(C)c3)C2=O)cc1 101340178 KYEHGNNEZOKKGJ-VUTHCHCSSA-N 558.638 5.700 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367411 DWQJWFATWYQUTG-JGCGQSQUSA-N 562.622 6.500 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1OC 101371553 FRANIIMDPOASBT-PMERELPUSA-N 540.616 6.266 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101372175 OFZPWRTVESUPEU-PMERELPUSA-N 588.657 6.117 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101372263 FJNSMCBCPBLZLX-GDLZYMKVSA-N 611.522 7.797 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101372368 GLURDQASTPQMOR-ICACTRECSA-N 570.686 6.808 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc(C)c1Cl 101376151 CDUTVONXQKUZTL-LJAQVGFWSA-N 547.051 6.584 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379882 JYNQRCFTJBYAAZ-JGCGQSQUSA-N 559.021 7.510 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382992 ISETUJCTMDPNMV-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1 101383744 DVVBDSMRKVAVJH-HKBQPEDESA-N 536.559 5.916 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101387834 LWZXVIHNOLPCGH-KATKFWMUSA-N 594.639 6.703 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388297 KZAPXKFQIDHJOM-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)oc2ccc(Br)cc12 101391048 CVFKQAMBQYRZNF-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399071 JBCPFMZFBXYZTD-YTTGMZPUSA-N 590.607 7.214 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 101684696 KPAKYOOLHWRNKB-LDADJPATSA-N 529.431 5.173 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 103742984 DAWKPGXEJQNHOX-BSSRNLCFSA-N 532.463 6.131 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2c(c1)OCO2 103884284 UHGKXVRPJNTTOL-HZHRSRAPSA-N 590.474 5.411 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1 164616819 NVZNJAMCJLJXMW-VFLNYLIXSA-N 651.149 7.462 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1OC 206238188 CWWBGPPXKANTTC-BAOGPQIGSA-N 510.656 6.173 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214257835 AUGFIZPMQSZPAX-RIRGPFDCSA-N 506.606 5.803 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214336819 YZYXXLCJGFRQQW-UXOBJBFUSA-N 544.680 7.005 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)c1 232483179 YUOHJDCYYRXUMO-CYBMUJFWSA-N 562.719 7.221 50 10 KKGE Clc1ccc(I)c([C@H](Br)Cc2cccc(Br)c2)c1 236069279 WQPUQBULTHKDFL-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 253572021 PRIDCPQXEFOTDK-DFKUXCBWSA-N 555.729 5.893 50 10 KKGE CCCCCC/C(C=NNC(=O)CCCCCCCCC(=O)NN=C/C(=C\c1ccccc1)CCCCCC)=C/c1ccccc1 254385078 FOVDUZMLIRPKAK-YRKCFDEFSA-N 626.930 10.419 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)c2ccc(F)cc2)cc1 254702032 NLINGKWAQHNYGF-UHFFFAOYSA-N 525.605 5.786 50 10 KKGE COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 582468955 LLDQVINTBNWOHR-ZPTKPFFLSA-N 591.038 9.580 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1Cl 725395817 GVGHESKIMNXGQL-UHFFFAOYSA-N 522.501 7.598 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083805113 YUZLCBDCWPRCMA-WMCQFGFVSA-N 620.771 6.056 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Br)cc1 1083993849 JRLBMRRBCBPNIO-LFVJCYFKSA-N 531.450 7.009 50 10 KKGE CC[C@@H](C)Oc1c(I)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 1084174100 DFTDDDQSOZIYCL-YDDPGSGASA-N 543.405 5.224 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 1084214058 XEIDXRPSEXKSIL-QHCPKHFHSA-N 545.861 6.044 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 1084390035 HVEXSHPCBDOBOA-OAQYLSRUSA-N 590.268 5.483 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084411845 CRQYYJVFVDTTSN-UHFFFAOYSA-N 746.093 6.656 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 1084508779 BJXAHCOAXITGDQ-XMMPIXPASA-N 599.478 5.518 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)cc1COc1ccccc1Cl 1084535492 XNBKJFBRENSKJY-UHFFFAOYSA-N 572.061 6.326 50 10 KKGE CCCC[Sn](CCCC)(CCCC)/C(=C\C(=O)OC(C)(C)C)CCO[Si](C)(C)C(C)(C)C 1615771295 XJBWIGFCGNOWHG-UHFFFAOYSA-N 575.539 9.055 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848435230 KNWRANWQYPIVSF-YBXDZPFQSA-N 641.540 5.967 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685413 IVVZJSHOPFTCAV-NRFANRHFSA-N 507.352 6.212 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OCC 1865687335 OUJKZKSZDADXJI-OAQYLSRUSA-N 577.401 6.449 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865689994 YRAIEAUUTLZAOG-HSZRJFAPSA-N 543.421 5.602 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 1865690014 ZABCWMUFOASGQF-GDLZYMKVSA-N 522.605 5.694 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCc1ccccc1 1865694708 ZRHACGXUBRPIDZ-GDLZYMKVSA-N 550.659 6.411 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865695326 BMKDTICUCOAKLR-JOCHJYFZSA-N 546.977 6.730 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702917 IARFHUHUZIRJSK-LJAQVGFWSA-N 541.611 6.049 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865702920 IFDQXDLQIGAZLU-AREMUKBSSA-N 555.506 6.994 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702947 JACYJWYIVAJVKO-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703179 PEHPQRHXTHHIPM-NDEPHWFRSA-N 525.052 6.561 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865704102 NHRDNGCHYZLZGQ-IBGZPJMESA-N 539.341 6.034 50 10 KKGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccccc2Cl)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866665391 NNKMDRPSCZKJDL-HXUWFJFHSA-N 515.060 5.296 50 10 KKGE Cc1nnc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867034769 OMSCGOIIVCIJSZ-LOSJGSFVSA-N 590.503 5.602 50 10 KKGE CCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867222790 YZBYYKRLZDOXQF-LOSJGSFVSA-N 535.641 5.862 50 10 KKGE Cn1cc([C@@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c2ccccc21 1868565864 OSVRVYGMAPKQPN-HHHXNRCGSA-N 532.633 5.025 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)cc1 1872747682 PFNFEFYTLCMUQL-UZYVYHOESA-N 519.848 7.277 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872753197 LPNAVRMOZCPIQM-BPQIDWQFSA-N 516.582 5.992 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c(C(C)(C)C)c1 1872755944 NADTVJIMGXXGRT-PGMHBOJBSA-N 519.450 7.303 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1OC 1872790131 MQYYZUUBUBRPLD-JJIBRWJFSA-N 520.695 8.029 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893240939 AXCMJRWWRQILCD-CYBMUJFWSA-N 523.050 5.839 50 10 KKGE Brc1cc(Br)c([C@H](Br)Cc2ccccc2Br)s1 1922898862 YJQXAAUDFOLUMS-SECBINFHSA-N 503.879 6.714 50 10 KKGE Cc1cc(C)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585009 GDGXPWUQGGRPSH-JTQLQIEISA-N 517.906 7.137 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC[C@@H]2CCCCO2)c1Br 1924591720 TWDSLLUDEQMRHP-YUMQZZPRSA-N 525.926 6.821 50 10 KKGE Fc1cccc(Cl)c1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924599569 JILMHCWDYWVBHY-ZETCQYMHSA-N 511.863 7.351 50 10 KKGE CCC(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924609022 QYBZNJPVEPLKAI-BYPYZUCNSA-N 505.842 6.907 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1scc(Br)c1Br 1925624824 YYJWDXGNZLJEPZ-RXMQYKEDSA-N 564.771 7.888 50 10 KKGE Clc1cc(I)c(OCC2CC(Br)C2)c(I)c1 1991499910 IQFNBSAKGXETMO-UHFFFAOYSA-N 527.365 5.102 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(C(=O)O)c1 2053515740 HYZJOIRNOHFITK-UHFFFAOYSA-N 684.655 6.372 50 10 KKGE CN([C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C12CC3CC(CC(C3)C1)C2)[S@@](=O)C(C)(C)C 2080770545 HSEMHHXXQZSRQO-VOEWIAFLSA-N 675.919 9.528 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)sn2)c1Br 2081064103 WDRFTFXGFREIRH-LBPRGKRZSA-N 518.894 6.532 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Br)o2)c1Br 2081072709 XFXJNBMVTOOYCC-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCOC2)c1Br 2085494614 MVHFFXUSFCZSQZ-WKEGUHRASA-N 570.739 6.599 50 10 KKGE C[C@]1(F)C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500516 ZOPSWAZMZAYBCD-UYRYILJUSA-N 572.730 7.311 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2Br)s1 2086380871 JGCTZGSWMZEKQC-CYBMUJFWSA-N 502.009 5.998 50 10 KKGE CCOc1ccc([C@@H](Br)c2csc(Br)c2Br)c(Br)c1 2093942436 RZOUHAFJBMBMPY-LLVKDONJSA-N 533.905 6.919 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2094096433 XOTSZQMJGZCNIH-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE CC1(C)CN(Cc2ccccc2)CCN(c2c(CBr)ccc(Br)c2Cl)C1 2098109102 HGQFBBSXWCVBHK-UHFFFAOYSA-N 500.706 6.346 50 10 KKGE Brc1ccc([C@@H](Br)CCc2c(Br)cccc2Br)cc1 2113490166 ZHZZIFMKJBHTMC-ZDUSSCGKSA-N 511.877 7.043 50 10 KKGE COc1cc([C@@H](Br)c2cc(I)sn2)c(OC)cc1Br 2120031354 ILLJSIAOBSOWAD-GFCCVEGCSA-N 518.996 5.012 50 10 KKGE FC1(F)C[C@]12C[C@@H]2[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472096 ZUEKVJVKWZTQMY-CPFXQGKDSA-N 588.704 7.218 50 10 KKGE Clc1cc(COc2c(Br)cccc2CBr)ccc1I 2142946846 NCEROTKDPYUQDT-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1cc(Br)cc(N2CCCN(Cc3ccccc3)CCOCC2)c1CBr 2170685438 SCJMERQNLVXNOX-UHFFFAOYSA-N 500.250 5.212 50 10 KKGE FC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2206401284 WKQMXUUJEMSDTK-GFCCVEGCSA-N 598.768 7.845 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 2206570827 SEAAFVWKQNYVTJ-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(Br)c(C)c2Br)s1 2215942990 NAJZFPPLDHUGSB-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2234067792 NKZYKCGGORHDQJ-XLDJFRKUSA-N 509.673 6.092 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(F)cc(F)c(Br)c2F)c1 2241001567 POPCKEJOUVSAGD-GFCCVEGCSA-N 519.924 6.264 50 10 KKGE COc1c([C@H](Br)c2c(Br)sc(Br)c2Cl)csc1Cl 2256869558 XBEQACZNCRWDNM-YFKPBYRVSA-N 515.901 7.134 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OCc1ccc(C(=O)O)cc1 2294187386 IOZAHDDTQYEPSC-UHFFFAOYSA-N 602.812 6.085 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1C 2295187781 NXBPXNPKIRNESU-UHFFFAOYSA-N 532.044 7.254 50 10 KKGE N#CC(C#N)=CC=C(Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Br)cc1 2297535127 PJXLKUXNGSKXMQ-UHFFFAOYSA-N 506.039 7.564 50 10 KKGE ClC[C@@H](I)[C@H](CCl)OCc1cc(Br)cc(Br)c1 2300179468 TWUVWKGVWIDXRL-MNOVXSKESA-N 516.826 5.378 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1sc(Cl)cc1I 2301083691 LDDHYEFEIHFRJW-NSHDSACASA-N 506.428 6.561 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1C#N 2313567476 JXLKCWMQQGGAPH-UHFFFAOYSA-N 557.448 5.164 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570933 JLHCYXNNQADLNV-UHFFFAOYSA-N 662.536 8.139 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314448232 GGJDXXUEGBEAHG-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314591980 IWRXBQHSZPJCDU-LJAQVGFWSA-N 523.702 7.019 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592109 MAKZUSJYVHPAAC-SANMLTNESA-N 532.065 6.537 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314616569 DVQOQGMMJHXFKO-UHFFFAOYSA-N 603.122 7.697 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1 2314617145 RPDZLYGQDQNFRP-UHFFFAOYSA-N 606.682 6.919 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 2314754741 ZTCGXGPGXICAQV-UHFFFAOYSA-N 518.635 6.633 50 10 KKGE CCC(=CC(=O)N[C@@H](CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321359818 VLGLACAMHNWDRK-FQEVSTJZSA-N 502.434 5.358 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358720 HGLPKAYXUUZHFI-UHFFFAOYSA-N 507.571 6.471 50 10 KKGE CC(C)(C)[C@](C)(CBr)COCc1cc(I)ccc1Br 2352093227 PCUOUWVUJZRCAE-OAHLLOKOSA-N 504.044 6.018 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(Br)c1Cl 2365596550 WJXLQNGXFIAIBN-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2277092 RGPLNNAUZUAFRB-MTJSOVHGSA-N 543.479 7.589 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 3230136 YLKZHRIDXMDDEO-UHFFFAOYSA-N 576.703 6.924 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 14640632 QWZSZIQVANCGMT-UHFFFAOYSA-N 511.844 5.518 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)oc12 33515867 NGXVYYVPLBSHFA-UCQKPKSFSA-N 515.978 6.286 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCC(C)C 38684145 AVKPZCOTFNQJLX-MUUNZHRXSA-N 518.541 5.072 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824068 LZJHMJOJFDQJQY-UXHLAJHPSA-N 504.896 5.488 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 97968662 PHHRKJBYYFUAEA-YZYPULCFSA-N 563.293 8.015 50 10 KKGE CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97983077 LHPREOOKQOPLNE-QVIHXGFCSA-O 542.039 5.687 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc3c(c2)OCO3)c(OCc2c(F)cccc2Cl)c1 100188508 XJSQWKHXYORUKB-AMVVHIIESA-N 527.980 5.162 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 100452301 IORQCPUYIVSXRH-MGCJZSHXSA-N 564.249 5.894 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246751 YQOSOIYGBXLICS-LZHZFTAVSA-N 527.646 5.776 50 10 KKGE O=C(O)CC1(CC(=O)N/N=C/c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CCCC1 101260359 FWXSXVCNLFECGX-MZJWZYIUSA-N 529.822 5.588 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1OC 101339312 ONJAECYCUMOSPR-XSFVSMFZSA-N 537.399 6.106 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 101377909 XJZFWQMCEKKJQM-WJOKGBTCSA-N 540.660 7.262 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384263 SUJHRFBDFOGEQH-MGBGTMOVSA-N 578.640 7.411 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386887 YAFWWSGQIAKNJB-VTLMBFNKSA-N 594.639 6.567 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387688 CYABVYIYJFXRDH-XIFFEERXSA-N 580.612 6.314 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)c(OCC)c1 101389164 GKBWWKVYRVHIBS-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399048 JKJRPEYPMUMEPG-YTTGMZPUSA-N 607.062 7.728 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101400003 KCNYQOXJHLSPDH-XIFFEERXSA-N 604.634 7.604 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 101727371 NZOUZDBCJHKRQG-XODNFHPESA-N 528.486 6.938 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12 103878694 ZQDGOOVZURVCSR-KCSSXMTESA-N 539.429 7.420 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1 103879447 JWTWVTGXKSIAPP-KKMKTNMSSA-N 546.190 6.440 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 109443575 WNDDUPDMEYGTGI-GIJQJNRQSA-N 537.668 8.451 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 150455335 FXYCWSNWFSYIIE-YLICKCRASA-N 640.721 5.618 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 150481285 MWKYLBGGRCMJAD-XMMPIXPASA-N 711.212 9.389 50 10 KKGE CCN(CC)c1ccc2c(-c3ccc(NC(=O)c4cc(S(=O)(=O)F)ccc4C(=O)O)cc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 160007245 DFNNPYKESMUEBS-UHFFFAOYSA-O 688.754 6.170 50 10 KKGE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 211936733 OVGIWDXZWJQHFG-OQKWZONESA-N 609.239 6.440 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 214369705 QDOZJWBNONSSEB-USHMODERSA-N 588.664 5.709 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214428849 UTLMTEMXAJMBDV-DXJNIWACSA-N 604.638 5.803 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(I)ccc2Br)cc1Cl 234899085 ZUAUNJNTMGMHII-CQSZACIVSA-N 550.843 6.853 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)CC(=O)N/N=C1\CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 253568502 LHMLAZXXRXFKSK-UHNBGTDISA-N 636.837 6.845 50 10 KKGE Cc1nnc(SCC(=O)NN=Cc2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)s1 254381548 XFIGTVFJJPAJEH-UHFFFAOYSA-N 507.685 5.420 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(C)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 254395886 CLIJEBWEOAONFS-UFRMOSHKSA-N 539.701 6.382 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1OCc1ccccc1 254698241 BHKXTTPKRROHJD-UHFFFAOYSA-N 536.704 5.660 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254702521 QIZSMDYMPYPVDN-UHFFFAOYSA-N 501.542 5.609 50 10 KKGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 254842038 ZDRTZNUENAZLGL-UHFFFAOYSA-N 566.633 5.857 50 10 KKGE CCCCC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(OCCC)cc1 254843582 BXYGQTOCUKSELQ-UHFFFAOYSA-N 500.042 7.668 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 263629569 BGXQHMVBROQMEY-UHFFFAOYSA-N 528.682 5.340 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 380143020 VUFQVRQORLDVRA-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1cccc2c1oc1c(P(=O)(c3ccccc3)c3ccccc3)cc(-n3c4ccccc4c4ccccc43)cc12 642813875 BHHSGVMOSLIEGA-UHFFFAOYSA-N 733.744 9.962 50 10 KKGE CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@@](C)(OC)C[C@H](C)/C(=N\OC(C)(C)OC)[C@@H](C)[C@H](O)[C@@]1(C)O 1073234904 SGGANCFJEHZNCI-QPRSYORTSA-N 979.452 7.344 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc2ccccc12 1084002693 WFRWFSCRMKFSIF-UHFFFAOYSA-N 619.765 9.076 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 1084107324 ADSRSAJLRAKSOT-UHFFFAOYSA-N 545.104 7.515 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(I)cc1 1084178775 OPQXWHBBSOJWOS-UHFFFAOYSA-N 579.232 5.795 50 10 KKGE CCc1ccccc1N(CC(=O)NN=C(C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(C)cc1 1084247840 XXVCSIMBEQQJOD-UHFFFAOYSA-N 603.144 6.199 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1084318567 KYNKKIAAVTVLBA-UHFFFAOYSA-N 522.226 6.498 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cc2ccccc2cc1O 1084404289 OXQPBOBKSAQLPE-UHFFFAOYSA-N 595.684 7.378 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084430708 DHZFWVGLDBIQPE-HSZRJFAPSA-N 529.406 5.530 50 10 KKGE Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084447037 CSGKKHOMBQNMOI-UHFFFAOYSA-N 550.726 7.058 50 10 KKGE CN(C(=O)c1ccc(Cl)cc1)[C@H]1CCc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613966640 CCINNYAEVRLEKJ-TXKPVHCGSA-N 530.934 5.851 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865685671 LRGVCEVIITWLDR-OAQYLSRUSA-N 507.808 6.777 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689230 NBGONJBDEQBSGO-RUZDIDTESA-N 548.430 5.942 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690046 ZQHQGZLVKVTYIN-HSZRJFAPSA-N 531.410 5.673 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OCC 1865691119 JRLWKLLLGHAMNN-HXUWFJFHSA-N 563.374 6.059 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865696073 XESUZNONEALEQN-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696366 DVCIYVSTHJBFBX-HHHXNRCGSA-N 557.050 6.274 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OC 1865697000 MVKHNRLJJQUTHL-PMERELPUSA-N 564.686 6.630 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704139 OIPHLYGLJWPAKU-VWLOTQADSA-N 503.389 6.285 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706704 CXQAGQUPMRKTGY-AREMUKBSSA-N 551.002 6.287 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865709073 MXUMGQSRBSFBNT-XMMPIXPASA-N 517.416 6.635 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C)c1-c1ccc(C)c(C)c1 1866129406 RLERORPIGZUAQB-XDHOZWIPSA-N 509.425 6.435 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199145 WZVVIYMGISPCKL-FTJBHMTQSA-N 568.512 6.657 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@H]2c2ccccc2)n1 1868300823 IRDCQIOXUHLOIU-PGUFJCEWSA-N 567.762 9.044 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 1868545308 VDRNLJIXSDXWFO-AREMUKBSSA-N 562.768 8.709 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)c(OC)cc1Cl 1872756432 JVTOPRAWUJOIRN-JXAWBTAJSA-N 518.378 5.352 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923072699 RATWCKABTAONGJ-SECBINFHSA-N 554.323 7.182 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cccc(OCc2ccccc2)c1 1923073956 DVTMHIWRWWBZLH-HNNXBMFYSA-N 551.525 7.990 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924594597 ONIMERVZPIBOET-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2Cc3ccccc3O2)c1Br 1924596086 IZKQQVQMNMISPP-WCBMZHEXSA-N 531.889 6.475 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)s1 1948826904 WGVNFHVHNODOHB-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Cl[C@H](c1cnsc1)c1c(Br)c(Br)cc(Br)c1Br 2025779962 NKKPVKZIUCJZBA-SNVBAGLBSA-N 525.285 6.521 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2I)c(Cl)s1 2026220726 HCDHYNWXFXAOGM-JTQLQIEISA-N 526.846 6.906 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1Cl 2053623152 IGYXWQBUJVYDFE-UHFFFAOYSA-N 624.218 6.639 50 10 KKGE FC(F)(C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 2065542387 WPHCTJDPWIEYTJ-QMMMGPOBSA-N 531.880 7.297 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(I)sn1 2083445161 JKZUEROMTUAZRW-LLVKDONJSA-N 502.997 5.312 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)cccc2Br)cc1Br 2094091378 SKQXZZYXKXAHBX-CQSZACIVSA-N 532.295 7.373 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)cc1Br 2131590031 KQWPSOKQUVDDAU-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)sc1Br 2139004624 XDINHMKRPAXZGX-NSHDSACASA-N 533.905 6.837 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2141474260 YPNGIHYAPLDGJJ-KQMYINQWSA-N 578.762 7.075 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2141474262 YPNGIHYAPLDGJJ-NTWGSFIASA-N 578.762 7.075 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2I)cc1C 2142286036 AWDSPLUSQYBWHF-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE CC(C)(C)[C@@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2185101211 WUDRUSYHSWKKTK-OLZOCXBDSA-N 515.027 5.078 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC3(CCC3)CO2)c1Br 2206396416 WLWMARGDNNLIAQ-TVQRCGJNSA-N 596.777 7.132 50 10 KKGE Cc1nn(C)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206398088 QPEDFLBKTFOFBT-NSHDSACASA-N 615.183 6.869 50 10 KKGE Cn1nc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)n1 2214372753 KIMGORZQZQWLQI-GSVOUGTGSA-N 529.277 5.302 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)s1 2215944127 VXNJXMKOTHLTAY-LURJTMIESA-N 544.353 7.543 50 10 KKGE CN(Cc1ccccc1)CC(C)(C)n1c(CCCl)nc2cc(Br)c(Br)cc21 2234070640 VJMAKQFZAPNBDV-UHFFFAOYSA-N 513.705 6.210 50 10 KKGE CCc1nc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2235604223 MVGCCBUKKHOITE-GFCCVEGCSA-N 502.497 6.938 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2Br)c(C)c1Br 2235605781 UOOTVRXQGWHFNS-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 2235610124 DJDFPFHWPCHIIC-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288494984 NQOGKZVZUCRCCD-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198197 HMQFYYBCGPIYLG-RUZDIDTESA-N 546.490 5.543 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC(Br)=Cc3ccccc3)nnc2-c2ccccc2)cc1 2293628360 ZVHMLLWGBOMOBL-UHFFFAOYSA-N 532.467 5.873 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=C(C#N)S(=O)(=O)c2ccccc2)cc1OC 2295561156 RGSDTOPVHHJOHU-UHFFFAOYSA-N 520.010 5.607 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnsc2Br)cc1Br 2300301403 XIXDIONQUJELRJ-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2313567135 HDGWSDFUWUAFCZ-UHFFFAOYSA-N 592.612 5.959 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568116 ROQTXQVTKRBSSC-UHFFFAOYSA-N 650.198 7.353 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1 2313570709 DMTGKIYTVRLHOP-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314440772 SCZRLWHYUCQYET-FQEVSTJZSA-N 576.041 7.256 50 10 KKGE Clc1cc(Br)cc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314499016 ZSJNJSSHDRPXML-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592812 CDIQGLBDCVAPNZ-GKVSMKOHSA-N 552.483 6.306 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314617769 AJIOVXDMFLZGAI-GVNUPVPTSA-N 542.683 6.694 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643265 MMXXGYWRQZAFEG-HKBQPEDESA-N 638.334 8.716 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 2314777873 YQJXXOLTCFEJGD-UHFFFAOYSA-N 504.608 5.294 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321698101 AGPZYXJBDPTNOS-UHFFFAOYSA-N 528.008 5.378 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 2331345258 BEIFFMPPJYJJRB-JOCHJYFZSA-N 504.696 8.543 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 2331386531 JXWDXPNBEDJVAO-DEOSSOPVSA-N 517.607 5.721 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2338026970 TWALSSFENOZDFT-AWEZNQCLSA-N 534.482 7.205 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2338691068 NZMXGWGIFDLZCC-VIFPVBQESA-N 580.738 6.149 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2365185521 YDEKSXBOOYFRSO-OAQYLSRUSA-N 510.653 7.436 50 10 KKGE Clc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2)c(I)c1 2366710283 DRIROHQVQDSGJD-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE COc1ccc(OC)c(/C=N\NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1 36624812 UOVATSXTRIAQIR-NVMPUMLXSA-N 503.602 6.533 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657934 UFQUAXFBVRVWOR-WRGVRERRSA-N 504.586 6.554 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 38686338 LLQWGZWXZIMRBW-PMERELPUSA-N 522.988 6.285 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 38701429 LAGLRSVPPWSZOP-NDEPHWFRSA-N 522.557 5.799 50 10 KKGE COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)c1 39858526 KCWBXOBIAPKWEZ-SILNSSARSA-N 508.578 5.647 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)c(C)c2cc1Cl 40530268 QEFOARPNANXUSD-HHHXNRCGSA-N 527.020 7.438 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12 59336288 AWTPHBHIVJSIAK-JCMHNJIXSA-N 517.412 7.670 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1OC(C)C 97914866 MGFBRXNQDPVISQ-MUUNZHRXSA-N 515.094 5.939 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100213632 COWVVAXZTQARDU-XMMPIXPASA-N 612.318 6.416 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 100234014 AUVLYDSUNPUABG-PJENYISPSA-N 553.747 6.925 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 100553159 ITYHVELUBHVTQN-KBVAKVRCSA-N 562.851 6.698 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101335193 CAVQONHQKZZYKJ-FSJBWODESA-N 533.411 6.373 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337676 XUSALUZJAVPHQU-GMSPJADCSA-N 528.612 6.210 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 101339529 UCOYPZBXUHZQIC-AJBULDERSA-N 556.666 6.819 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101367833 IBDOPUOSQIJOIL-WRGVRERRSA-N 542.632 6.028 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101370688 NYOWNEARVPNAMF-SSEXGKCCSA-N 542.632 5.984 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379048 QHONIYLOIUZOCD-PMERELPUSA-N 583.984 6.030 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386204 CFSRHSQFFZHASY-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396735 UBUVKNMKTQLZNP-RUZDIDTESA-N 545.389 6.340 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc6ccccc6oc5=O)ccc43)c2)cc1 101398201 LKFBUBOIRLGCAP-WJOKGBTCSA-N 556.574 6.118 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 101619577 SPDJUSNPMIUNCB-AWSUPERCSA-N 541.604 5.414 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC#N 103796325 ZBRCSBYNCBOBIX-BIZUNTBRSA-N 557.448 6.280 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 103879009 QTPHDYKXKWEGCJ-HPNXWYHWSA-N 567.649 7.436 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(Br)c2)cc1 105052820 XNDXOSHTXUPWCO-RWPZCVJISA-N 544.287 6.852 50 10 KKGE CC1=C(C)[C@]2(OO[C@](C)(C#N)CC(C)C)O[C@](C)(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC2=C(C)C1=O 137014783 MVMXWDWCIQXILT-YPAPXHCJSA-N 625.979 11.540 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 150382798 ZIYSDBSHANQENI-IPYFEQEDSA-N 638.256 5.505 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400683 MIUAZYCXOGJNJS-DYBCBLRBSA-N 882.946 8.902 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)[C@@H]2Br 150424499 KMAVOOJELOGKPL-BVGQSLNGSA-N 621.979 5.205 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 150441811 FROWZUPWCVKVKY-DHUJRADRSA-N 639.148 7.818 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc(Br)cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 195790539 BZDJOOAXNTTXEI-RMVCLCOJSA-N 632.546 8.782 50 10 KKGE O=C(Oc1cc(OC(=O)c2ccccc2)cc(OC(=O)N(CCCl)CCCl)c1)c1ccccc1 196295299 LPEIQNADBSTEFG-UHFFFAOYSA-N 502.350 5.403 50 10 KKGE COC(=O)c1cc(C)c(NC(=O)c2cc(N3CCC[C@H](CO[Si](C)(C)C(C)(C)C)C3)ccc2F)c(C)c1 216496011 DCIRIFPXGSFJRZ-NRFANRHFSA-N 528.741 6.720 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232344556 DRLXVKRZMSIWFC-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 233795742 KHQWRSNSSUAECX-LBPRGKRZSA-N 523.899 7.463 50 10 KKGE O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 252428193 TWJIPCHJNJKAHS-DBBHOVQTSA-N 549.863 7.638 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccc(Cl)cc3)c3cc(Br)ccc32)C1 254402869 MRFPSSZYPJMZRY-AFMDSPMNSA-N 543.893 5.441 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1 254513967 JVTINZUKYMHZDP-UHFFFAOYSA-N 533.657 6.242 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616692045 JWWDDACSJVORDR-MHZLTWQESA-N 526.914 8.246 50 10 KKGE CC(C)(C)OC(=O)NCCCNC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238097 PQPWQVIQPGEGSR-LJQANCHMSA-N 534.000 5.111 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C)S(=O)(=O)c1ccccc1 725406080 URZLUHZWFGUMBA-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1083988353 VVFPVGDRAZQQOZ-UHFFFAOYSA-N 638.303 6.596 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084022924 PIFVFVQKUVEZTC-RUZDIDTESA-N 555.469 5.789 50 10 KKGE COc1ccc(C(C)=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(OC)c1 1084025745 HOGWYVWMAFKQMJ-UHFFFAOYSA-N 536.220 5.301 50 10 KKGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084036337 ZFDICYYEFKSZJJ-UHFFFAOYSA-N 629.522 5.383 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084078469 KIYNFFLUTFJYBZ-NDEPHWFRSA-N 585.528 7.062 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1084104270 AVRFORRQUNTVHH-UHFFFAOYSA-N 604.832 5.476 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 1084155560 TWQYZNMCMTUKPE-RUZDIDTESA-N 525.443 5.699 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 1084446477 HGFONUMGKBDBER-MHZLTWQESA-N 547.608 5.274 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084560051 XEWWHWXVRNFQAA-XMMPIXPASA-N 592.861 5.886 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1084623208 CMRIRDICBJECGG-UHFFFAOYSA-N 507.037 7.278 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748702 NEVJIPMIRBAUKJ-UHFFFAOYSA-N 526.036 6.791 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772749425 LARUYYYAPLHWOD-UHFFFAOYSA-N 543.447 6.781 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 1772754545 JSTRCZZNCFCAAG-UHFFFAOYSA-N 516.682 6.826 50 10 KKGE CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772754963 CUXVRCYKYGGVJU-UHFFFAOYSA-N 597.000 7.436 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(C)c1 1772755002 GCSOMEXYGJEYDH-UHFFFAOYSA-N 538.094 6.602 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865688040 HIRCOZZEGCCWKB-DEOSSOPVSA-N 513.425 5.952 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865689236 NCAZSKOCUROOMW-HHHXNRCGSA-N 575.496 7.319 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865689517 AZLPCYPTJMOFMY-HXUWFJFHSA-N 502.924 6.332 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691639 XDNRHLPGXKNDIB-MHZLTWQESA-N 575.496 7.311 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865695208 MVKZKQNVIYFZHN-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701366 UBQQSUWITGXFSP-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703215 QFNSPRKAGVXWPE-MHZLTWQESA-N 500.643 5.996 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706247 RDMYKEDWVCPKAC-LJQANCHMSA-N 511.847 5.824 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707266 SEJNHIACKFITSC-JOCHJYFZSA-N 553.833 6.491 50 10 KKGE CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866847583 OVZBFAAMEZIPSD-FQEVSTJZSA-N 512.433 5.054 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)n2)cc1 1868320870 QGHJCYQOQHJYNG-VWLOTQADSA-N 512.082 7.634 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)nc(O)c2cc1OC 1872727468 CRVPZCGMAZYKNX-WMNBSXSMSA-N 553.622 6.772 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 1872780975 QLAPKCAUVPAVKS-MHWRWJLKSA-N 503.849 7.478 50 10 KKGE Cl[C@H](c1csc2c1CCCC2)c1c(Br)sc(Br)c1Br 1924605692 VRSJGSGPLWDUGW-LLVKDONJSA-N 505.522 7.304 50 10 KKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 1924616365 OATILDUYDZKIMF-FSPLSTOPSA-N 529.864 6.907 50 10 KKGE Cl[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995048722 SOHCJGFPAVJTPS-DURWCSIBSA-N 516.680 6.644 50 10 KKGE CC(C)CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2015718665 XGKTWCYNIYFUFC-VIFPVBQESA-N 509.927 7.298 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(C)cc1 2053612418 GZVDATFRIVMKTG-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1c(Br)sc(Br)c1Br 2086139816 TYEZJBIZXFGPPI-SECBINFHSA-N 650.193 7.731 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648987 YOIAABCWNPOZOR-GZMMTYOYSA-N 501.456 7.531 50 10 KKGE Cn1ncc(COc2c(Br)cc(CBr)cc2Br)c1Br 2116621387 QJPZGOKUPPSYHZ-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE Cl[C@H](C[C@@H]1CC[C@H]2C[C@@H]21)c1c(Br)c(Br)cc(Br)c1Br 2141469814 XCDSPGFIJAJRBU-CIOUSYIGSA-N 536.327 7.453 50 10 KKGE CCCCCCCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396807 BEJXUEBIGOXFQT-JTQLQIEISA-N 598.837 8.923 50 10 KKGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(Br)cc1I 2207260011 DOETYVUTTMQAEK-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)c(C)c1Br 2235601927 BWBSIBMEUZLBLN-HNNXBMFYSA-N 528.453 7.070 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 2235606995 YGBXOTOXYMKABD-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2251092623 QMGRPTIVMOSXQI-PUQNFTFYSA-N 507.911 7.052 50 10 KKGE Clc1ccc(I)cc1Oc1ccc(Br)cc1CBr 2259930217 LUPQJWHPMVNAGK-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2293202142 IPPYISMAWLOZAD-UHFFFAOYSA-N 520.441 7.165 50 10 KKGE O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)C(=Cc1cccs1)NC(=O)c1ccccc1 2294764879 OZCAIXTZNOVNNZ-UHFFFAOYSA-N 504.615 5.672 50 10 KKGE CCCCCCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 2297488362 OAGOYZQVIDOAEK-UHFFFAOYSA-N 514.682 8.847 50 10 KKGE CC(C=NNC(=O)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br)=Cc1ccc(C(C)C)cc1 2297616436 PXQSINFDBSWYDJ-UHFFFAOYSA-N 510.392 5.545 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(Br)cc2Br)s1 2301082761 BZVWHEGESWDCPZ-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2C)o1 2313553193 QPBFESXQZMKIBM-UHFFFAOYSA-N 514.217 6.888 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 2313571195 PLBNSPPLNHXHMI-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OCC 2313571301 RUKTUKFYBMYEHH-UHFFFAOYSA-N 538.225 5.972 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(OC)c3)c2C)sc2c1CCCC2 2313609510 KINYJTBGTSZWPQ-UHFFFAOYSA-N 503.624 5.765 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1c(Cl)cccc1Cl 2313630545 BLXVWWLXIZDSEA-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C1 2314476386 NQJVJZDNONBYCG-ZRZAMGCNSA-N 562.699 6.146 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314611617 YCLRVSWRIHJGJD-UHFFFAOYSA-N 528.612 6.119 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314616831 KPSJKBCOJDUNSO-UHFFFAOYSA-N 586.667 7.182 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314617057 PZSXFYPBKIMAQW-UHFFFAOYSA-N 516.576 5.822 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1 2314634586 LDOVADHTVOPJFK-YTTGMZPUSA-N 530.580 6.111 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1Cl 2331049709 JQEACNUCKDWJCG-UHFFFAOYSA-N 500.378 7.193 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331322994 QPODNDVOUJSXNA-UHFFFAOYSA-N 515.034 7.866 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1 2331345339 FXGQPOQGBSEDFP-UHFFFAOYSA-N 517.478 8.338 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331350712 NNDCWNPOYGIPIC-UYAOXDASSA-N 501.652 6.519 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336050363 KDPOQCYJEIBRPA-NRFANRHFSA-N 541.077 7.284 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cs1 2336077290 GXTKJRITJCIMDS-SFHVURJKSA-N 506.181 7.593 50 10 KKGE Cc1scc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2343461689 WESBRYCLRJFMEU-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE BrCCC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)C1 2349851124 ABPHBWKZIOYZNK-GFCCVEGCSA-N 501.044 5.441 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Cl)c1Br 2362237231 RIGLNWNESQCRGO-NSHDSACASA-N 570.703 7.904 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1 2365175460 HHUVWOAMNFCHBP-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)c(F)c1F 2365596987 CFEMOOSNLXRZLV-LLVKDONJSA-N 540.342 6.609 50 10 KKGE BrC[C@@H]1C[C@@H]2C[C@H](C1)CN(Cc1ccc(I)c(Br)c1)C2 2377326095 ZJBIIQFJSMASMS-ZSOGYDGISA-N 513.055 5.297 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=C(SCc2c(F)cccc2Cl)SCc2c(F)cccc2Cl)c1 3059052 AFTLHMDYLXBAHB-UHFFFAOYSA-N 549.495 8.429 50 10 KKGE O=C(NNC(=S)NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C2CCCCC2)cc1 12502547 HZXHQJDZYZMAKT-UHFFFAOYSA-N 515.060 5.023 50 10 KKGE O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 33355024 PJTIXXQUDRVLGD-OXUBWTJQSA-N 700.090 5.359 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc21 38686039 KEMNJBBHKZQIPD-NDEPHWFRSA-N 502.542 5.597 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1F 38686895 QPLINVZWWCJHFE-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38688582 ZXUGCPLZUKIFRP-SANMLTNESA-N 512.949 6.397 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701152 HQAGWIZMAXFIQI-NDEPHWFRSA-N 508.574 6.748 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 39842922 SEJQZZJRJUCAKR-DEDYPNTBSA-N 509.978 7.289 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813599 XVNIMNRUXRGARP-JBASAIQMSA-N 516.395 6.226 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 59304032 KQAWZTUPZLGJKF-RDRPBHBLSA-N 502.412 6.378 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1C#N 59680399 FYTWMQKERAAYKR-WKULSOCRSA-N 518.367 5.809 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 100210281 UGEFSJZBVHLVCK-UHFFFAOYSA-N 564.274 5.268 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101295645 HMAMLEPJLABNFY-AREMUKBSSA-N 533.378 5.216 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 101304913 FZOHYBCPVQKJKM-MWAVMZGNSA-N 614.702 6.265 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Br 101334901 GTFALTAPDZMIIU-MFKUBSTISA-N 579.454 6.103 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101336488 MRZGMMLVPDKXTL-BIZUNTBRSA-N 577.644 6.306 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 101339468 JNNUYHBEGYOGOW-RDRPBHBLSA-N 542.639 6.347 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362513 QQTPNQDEEVNNIV-WRGVRERRSA-N 536.559 5.996 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(Cl)c1 101363130 SDIGBUZHJZLYBA-QGZVFWFLSA-N 522.813 5.238 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 101367285 NGJSAMURJXCEEQ-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101370768 YTRMIQNMNGALJM-NRFANRHFSA-N 576.474 5.382 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 101375373 HQMXJZQRHOUJMN-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380026 FIHQTJZLCUPCHX-NBLPZQPVSA-N 595.095 7.633 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384643 XWYBARSYPMHGIW-PMERELPUSA-N 591.422 6.914 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101388852 JBOIATUPQFLZSW-JGCGQSQUSA-N 584.575 6.145 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390023 QFZTXXZACBNBKG-QHCPKHFHSA-N 569.897 8.422 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101390881 SOLBYHLQHNQPKL-NDEPHWFRSA-N 599.495 8.224 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)sc2c1 101397848 XPDBTDYPVKBQBQ-LJAQVGFWSA-N 597.067 8.019 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)Cc2ccccc2)c1[N+](=O)[O-] 101479358 HHAATFHZJPWVIT-UHFFFAOYSA-N 512.699 6.964 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(Br)cc1OCC(=O)Nc1ccccc1 101620587 ZMNQDEJKPJKLAC-PXLXIMEGSA-N 548.437 5.131 50 10 KKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Br)cc2)cs1 102416715 WDYMUVICYNQZLO-RAXLEYEMSA-N 518.314 6.674 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 102666164 GLPFJGDXKDLNCE-BSSRNLCFSA-N 576.472 5.691 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1 102666195 HCSKEFAIMBARNW-QMVRQVHRSA-N 547.636 6.081 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150388068 FQTQAONZIMZVHV-UHFFFAOYSA-N 672.237 6.139 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 150406245 AZBOMXFUSFEXNW-UHFFFAOYSA-N 639.616 6.373 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463244 BUBCZJUQRCNTLA-JGCGQSQUSA-N 641.507 8.381 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150483235 XSHPPURHIMKYFJ-SSEXGKCCSA-N 670.376 9.105 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150485629 CMNJMIXVMVYNSG-OAQYLSRUSA-N 642.750 8.335 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 206546046 ITDSUVNXNPKETE-VMTJQQBPSA-N 522.557 5.585 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1 214233202 KDIYAPCGTARXGS-SWKFRHMKSA-N 550.703 7.281 50 10 KKGE CCc1ccc(CC)c([C@H](Br)c2cc(Br)ccc2I)c1 234183655 RCNIGOVYNLMBLK-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1cccc(NC(=O)c2cccc(F)c2)c1 252630691 VDLNCPVYARELKW-UHFFFAOYSA-N 521.548 6.557 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253569095 LZMJVIBKEOESCN-TWEKSNNBSA-N 714.384 8.326 50 10 KKGE O=C(NN=Cc1ccccc1)c1sc(C(=O)NN=Cc2ccccc2)c(-c2ccccc2)c1-c1ccccc1 254626556 GWXGXFRIIIIFOE-UHFFFAOYSA-N 528.637 6.610 50 10 KKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)CCl)CC[C@@]34C)[C@@H]12 254741555 AFPUQLBJNOEKFF-UQELMUHGSA-N 505.227 8.894 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@@H]2Br 256019326 UNKNBUABHSXHNS-ZZDDWEONSA-N 566.378 6.743 50 10 KKGE CCOc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl 256046593 GYLWWKHRXCEGDN-UHFFFAOYSA-N 515.795 5.227 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Cl)ccc2I)c1Br 312803927 JFNPONLHYWNNOC-SECBINFHSA-N 560.398 7.272 50 10 KKGE CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 504208024 IEJKMUZABMNWPG-QDAOXXINSA-N 528.059 9.048 50 10 KKGE CC[C@H](C[C@](C)(C[C@H](C)c1ccccc1)C(=O)OCCOC(=O)C(C)(C)[C@H](C[C@@H](C[C@H](C)c1ccc(CCl)cc1)c1ccccc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 575409261 QTLYZIRMVXHXBE-SWUOPFHNSA-N 896.480 15.251 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725393238 FLISATWIFJEYIM-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1ccc(N(CC(=O)N/N=C(/C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 725405021 GFIGTLIAVOMJGO-ZHLHTARPSA-N 681.771 6.174 50 10 KKGE CC(=NNC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725414152 JWKCYGHRXPASDU-NRLRRCJSSA-N 559.710 7.996 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1 1083844869 IKJAZMIIALBNJQ-UHFFFAOYSA-N 531.077 7.374 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1083994851 APHPORLBZMEGHS-DEOSSOPVSA-N 667.338 6.004 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084083261 GQVJSXLFODZPME-UHFFFAOYSA-N 639.506 7.475 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)cc1 1084268771 LNJLQPPJBNQJJF-UHFFFAOYSA-N 610.711 6.401 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(C)c1 1084495009 XDXBOLLEHAMAOL-UHFFFAOYSA-N 608.536 7.875 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084592664 KWBVPGOKSPTIQO-PZGSVQSZSA-N 554.312 7.010 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773625 UHCDRCBBCZLXBO-PXCWRJJSSA-N 641.186 12.671 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772745882 MWDLEKIXLFXJJA-UHFFFAOYSA-N 513.421 7.016 50 10 KKGE O=C(COc1cc(Cl)ccc1Cl)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753851 CATUILBJKRGMPI-UHFFFAOYSA-N 508.199 5.864 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682405 NRNLNHFENVPSHC-SANMLTNESA-N 539.422 7.226 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865695454 CUPLDKAPDWHNNA-MUUNZHRXSA-N 508.622 6.384 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865696365 ZTXOIEHKIJSKGA-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698449 UEEIBGBCRXSXRP-VWLOTQADSA-N 526.980 5.250 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700827 FHRZLWAETHPGGX-SANMLTNESA-N 543.023 6.038 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707449 XEYYIWBRHYUQFT-LJAQVGFWSA-N 538.095 6.782 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714061 BTLIVBJVSDAVPO-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE CCCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866633313 CZZMLHYEDQZSRX-FYYLOGMGSA-N 586.139 5.064 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccc(F)c(C)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866759358 ABQIYWXVMAZPAB-LMSSTIIKSA-N 561.679 6.129 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866774046 YUMISTCUOYWDGA-FQLXRVMXSA-N 523.633 6.287 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H]1C 1868414058 HFIHXWTTYQKPTL-PMACEKPBSA-N 523.106 6.049 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915076433 BKDVHEVYRZMOKT-CQSZACIVSA-N 540.115 5.576 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)s1 1922893899 IFMOZVKUWVFKBG-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Fc1ccc([C@H](Br)c2csc(Br)c2Br)cc1Br 1945189850 AXXPHFCPGZBUHK-VIFPVBQESA-N 507.842 6.659 50 10 KKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](CCCC[C@@H]2CCSS2)C1 1952428017 VGOSUAQZFYZQCA-NJDAHSKKSA-N 511.709 6.815 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2COC2)c1Br 1995047285 FWDDXNCIBBOFQG-MRVPVSSYSA-N 542.685 5.819 50 10 KKGE ClC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995049193 XXFAJYHIUZLHRZ-VIFPVBQESA-N 561.131 6.944 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 2080759544 XSDPPDJFPHPYKM-QRWLVWSFSA-N 709.961 9.957 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2092330669 LUZOGXVOFHUSQX-CYBMUJFWSA-N 513.849 6.467 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2150493284 KKTWLZALXGEIBP-CQSZACIVSA-N 531.839 6.606 50 10 KKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(I)ccc1Br 2167647557 QYDOTOHEHZDYMB-AWEZNQCLSA-N 515.027 5.079 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)Cc1ccccc1I 2203006163 CHPLJKOIINTCHE-LBPRGKRZSA-N 530.425 6.394 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2206398864 ZRIJGDFDEIPZDP-RAPRUERJSA-N 553.358 6.795 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 2207106640 YISDCIJSPKCFGP-LLVKDONJSA-N 524.838 7.698 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2207260857 ILBCOFNPENGBIF-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)s1 2224803459 HEZDWUJBHWWCHB-VIFPVBQESA-N 553.961 7.118 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(I)c(Br)c1 2229147855 OTDHCWBTSCSMFD-NSHDSACASA-N 579.295 7.148 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(I)c(Cl)c1 2288496602 JFPNFRZGCGXJDT-GFCCVEGCSA-N 556.797 7.076 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198484 ZDSPKCAVXZRTKC-JOCHJYFZSA-N 522.399 5.653 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2Br)cc1 2295523575 UWKPKKJZYWHIPO-UHFFFAOYSA-N 769.288 7.181 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2296453390 VIQGGYZFTMULIY-LEULRUAMSA-N 647.146 10.753 50 10 KKGE N#CC(=Cc1cc(I)cc(I)c1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 2296648372 HYLGQYDATKMVGS-UHFFFAOYSA-N 669.264 6.179 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2297458534 HOVCOOOTDHCZQZ-VWLOTQADSA-N 502.039 5.434 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1sc(Cl)cc1I 2300954253 VFYJPGFPSOFUBX-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 2313570916 IZTKZEWVNNJQDM-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571389 VCWQMDZRYYJCLR-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631443 QDGZYOYPVUNWHX-UHFFFAOYSA-N 515.227 7.849 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Br)cc1 2313670536 DECRIVKWGFBIFO-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592726 APHDCEZYZNWDHD-IQGLISFBSA-N 566.510 6.696 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593813 UAXFMBWWFJSJFB-BCHFMIIMSA-N 516.066 6.206 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593860 VCKZORUJWHRCID-AFMDSPMNSA-N 550.511 6.914 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314617347 WNIKIHZPYHRCGF-UHFFFAOYSA-N 586.667 7.182 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634771 JIWQOZXCTWBMDY-GDLZYMKVSA-N 549.454 7.399 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331276375 ODNWRRCUIBVDQA-RUZDIDTESA-N 507.571 5.519 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)cc2C1=O 2331371938 UAIOAIDWRGCHNJ-UHFFFAOYSA-N 503.580 5.018 50 10 KKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1OC 2331381134 MTHHORQGHLONMH-UHFFFAOYSA-N 501.004 6.313 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1OC(C)C 2331414403 DDGXNPBKOFPFPU-UHFFFAOYSA-N 500.374 6.341 50 10 KKGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@H]1CCBr 2349825739 RKMNDJZVUDCJBZ-DGCLKSJQSA-N 501.044 5.297 50 10 KKGE Clc1ccc(I)cc1COc1ccc(Br)c(CBr)c1 2352425890 MJZGMQUYSJEOJO-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE FC(F)(F)C12CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2363909115 VUYSWVJCYVFLFK-OUBRSPPYSA-N 519.402 6.427 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2365186581 RTZGUKWKSZHJDH-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(I)c(Br)c1 2367665842 FNXFXLVDPMNZFN-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(C)cc1 16292443 APQJPMSRLLRWDS-UUYOSTAYSA-N 505.412 6.508 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38684461 HACLXKUVGQWPTL-GDLZYMKVSA-N 512.606 5.975 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684631 FUZSVAATFJBJLR-MUUNZHRXSA-N 518.997 5.967 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(CC)cc3)ccc21 38686190 QKSBVMQICXOEHO-SSEXGKCCSA-N 512.606 6.021 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)CCC3)cc1 40813035 KKYBTNVHWLGGLB-QUPMIFSKSA-N 504.543 5.398 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 58832865 BNUPJIKHYCOZFO-YDZHTSKRSA-N 507.590 7.177 50 10 KKGE CCCCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 96438585 OBIPUDGRCIWVHN-QJOMJCCJSA-N 501.552 7.597 50 10 KKGE Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br 101002627 OHWKTJGKUHDAMF-LIMNOBDPSA-N 563.084 5.641 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C1=O 101333281 USTDPHWAIRLYSE-VFCFBJKWSA-N 522.649 6.501 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101336732 WKMQVBMXQAHAQV-IYAOEYEUSA-N 530.584 5.557 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 101368580 NEBOSQACWAYEFX-RUZDIDTESA-N 557.386 5.222 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 101378316 IFRJYVISQWLXJJ-LJAQVGFWSA-N 533.024 6.420 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378930 MSUWJCVMOUDTJV-YTTGMZPUSA-N 532.596 5.949 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101381735 BNCZYRLDLDTRNH-LJAQVGFWSA-N 587.459 7.408 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385928 QISVLJDTHYKFEX-HKBQPEDESA-N 583.040 6.764 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101390212 PLDLLDRBMBGYTP-OAQYLSRUSA-N 557.842 7.307 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101390598 HRTLJEQMPOMOCF-DEOSSOPVSA-N 531.362 5.950 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)CC1 101397704 VNMWMFBYIZPKNC-PNXIIMKTSA-N 571.117 8.039 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398103 KKBYHUYLFBMHOK-SSEXGKCCSA-N 601.486 7.799 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614921 MSLASNRKRLEAMP-FABQOPTDSA-N 570.465 6.061 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 101620247 NCSCMRYDHTVXTD-YQCHCMBFSA-N 541.648 6.782 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 101680614 PQFDTRVUSNRHNF-HYARGMPZSA-N 577.475 5.963 50 10 KKGE COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O 102970492 DFOUMMNGGLIBOB-MOSHPQCFSA-N 536.975 6.162 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800047 OHTFAQXSAZKGMO-ULJHMMPZSA-N 548.627 7.987 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 128721752 XPPDJFBHWOGCMG-NSHDSACASA-N 538.324 7.435 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 128842875 RBJYJTFDONNWFD-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150403898 YQNNSBASVFHZDP-LJAKKAIASA-N 650.782 5.577 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 150430297 RHTASFVRWJXWLM-YTTGMZPUSA-N 628.037 6.428 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150430323 KJQGDBWAYODZLQ-OVNXQDIVSA-N 657.332 6.548 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccc(Br)cc12 150482790 CVZKABDOXLCSAV-PMERELPUSA-N 641.905 8.174 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(Br)c1 233790673 RFTUWADBTFENMM-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 254744418 XONIAPAZUCLXDP-UHFFFAOYSA-N 514.655 5.032 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)/C=C\c1ccccc1 254844597 BROYUTUZQKOFRJ-AFJUAVDQSA-N 586.503 5.367 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025127 OGHUVJCTSYYAOG-GQFYMLMPSA-N 672.671 11.271 50 10 KKGE CCOC(C)(C)O/N=C1/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H]1C 409421685 SFTHBPKNOPSKEE-POTIJFCJSA-N 993.479 7.734 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@@H](O[Si](CC)(CC)CC)[C@]3(C)C(=O)C(=O)C(=C1C)C2(C)C 504780724 MGJAFORIYQRETF-IREFDXRGSA-N 771.109 7.349 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 725394413 NHNPRSXZWOONFK-HSZRJFAPSA-N 535.855 6.588 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 725441002 UBOXKVMIACTVIZ-UHFFFAOYSA-N 642.565 5.714 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=NNC(=O)CC(=O)NN=C1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 1083952273 LHMLAZXXRXFKSK-YYFPCNAFSA-N 636.837 6.845 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1 1083969245 LMNMJHOMSQQHMN-UHFFFAOYSA-N 564.491 5.196 50 10 KKGE CC(C)(C)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)s1 1084138869 ZFZAEFUTCPNQCV-UHFFFAOYSA-N 520.442 5.101 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1 1084171952 AZZGURCJWWQOKB-UHFFFAOYSA-N 514.489 5.866 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1Br 1084336506 REGGDJHBNKYXSK-UHFFFAOYSA-N 651.564 8.788 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Br)cc1 1084401341 RBVOOHPLDTXVKS-UHFFFAOYSA-N 533.422 6.665 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084412259 WTFJTBVEGBROGX-UHFFFAOYSA-N 504.679 6.014 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084419132 YMMLYJRDQSBTET-KGENOOAVSA-N 554.847 6.076 50 10 KKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 1084648584 BMMXBHLMSOZCBV-UHFFFAOYSA-N 504.417 7.088 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865687003 HGGRAURNROXGDA-QFIPXVFZSA-N 530.522 5.885 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687146 KLEPRRGEDYASQG-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCCc3ccccc3)c(OC)c2)cc1 1865687998 GGIQDAMVXAQYFK-MUUNZHRXSA-N 508.578 5.038 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc(Br)c1O 1865688076 IIGADNQLUZRVLS-HSZRJFAPSA-N 559.420 5.633 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690571 VENKDCWZIBBOQZ-YTTGMZPUSA-N 568.677 7.021 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865692269 KRYUQULOZRMPIH-XMMPIXPASA-N 567.484 6.002 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865695857 IKVMQTFXMFUUKM-XMMPIXPASA-N 537.458 5.993 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc(Br)c1OC(C)C 1865698195 MVYUQAFKBHLLOM-LJQANCHMSA-N 563.374 5.976 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698280 PIHUWIREKKKOBI-DEOSSOPVSA-N 512.953 5.191 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865702184 OZAGSXUJWKACEY-AREMUKBSSA-N 510.041 6.316 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702412 VGVHNYXACIGAMK-HSZRJFAPSA-N 549.375 5.866 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704121 NTESOCZFMRCQMJ-WJOKGBTCSA-N 579.075 7.627 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704138 OIPHLYGLJWPAKU-RUZDIDTESA-N 503.389 6.285 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865707332 URHLZAWWYUMWRS-RUZDIDTESA-N 564.011 6.848 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711809 ILKGVUNCMHBVEK-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040047 PGVYYDYFEIJAMY-RTWAWAEBSA-N 543.512 5.924 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1868277817 JJDFHDAJXISCLO-UHFFFAOYSA-N 519.034 5.386 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)[C@H](c2ccccc2)c2ccccc21 1868365491 QKLHTSIFYWJVBZ-JGCGQSQUSA-N 539.708 8.348 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CCS2)cc1 1868505233 DIENOYGRSBADFC-SANMLTNESA-N 541.702 6.772 50 10 KKGE CN(Cc1ccc(Cl)c(I)c1)C[C@@H](Br)COCc1ccccc1 1900405697 WVOFCZMOJRWARZ-MRXNPFEDSA-N 508.625 5.357 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccsc2S(C)(=O)=O)c1Br 1922933677 YJLVLCODZDEIFA-MRVPVSSYSA-N 509.104 5.531 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1sc(Br)c(C)c1Br 1922935451 PUWSIJIFWRERKE-ZETCQYMHSA-N 524.923 6.593 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595398 YNURITUOKOBCEM-SECBINFHSA-N 542.287 7.265 50 10 KKGE FC(F)Oc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924601934 PUYGCXAEXSGYIY-SECBINFHSA-N 511.407 6.965 50 10 KKGE C1CCC([Si]23O[Si]4(OC[C@@H]5CO5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)C1 1933228209 UXYKRQJKIWUKDL-GFWZXZRRSA-N 973.636 9.286 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1c(Br)cccc1Br 1945322802 NZWABSHOXQIFHX-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE Cc1nc2c(cc1Br)nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2035582417 SVNJXXXHEIELPV-IBGZPJMESA-N 511.895 6.895 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085497056 DYCAPKUPDXHRMH-NXEZZACHSA-N 576.693 7.218 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Cl)cccc2Br)c1Br 2138869508 APVAQPXZDDCCNW-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Cc1c(Cl)cccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405810 QPZYYIYIIHKTAK-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1 2225634069 NBIDQUAEQVQUMW-NSHDSACASA-N 515.840 6.792 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1cc(I)sn1 2233170117 ZRVJOURJSBDTQA-CYBMUJFWSA-N 531.051 6.127 50 10 KKGE COc1ccc([C@@H](Br)c2scc(Br)c2Br)c(Br)c1Cl 2268268751 UTMQHHRFNVGKBJ-SECBINFHSA-N 554.323 7.182 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Cl)c1Br 2288354912 OHOISCHYKRKQRO-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 2294171966 NBVQOMFUNCWDRZ-UHFFFAOYSA-N 518.842 7.268 50 10 KKGE CC(C)(C)[Si](OCCCCCCCCCC=C(F)C(=O)N[C@H]1C[C@H]1NC(=O)C(F)=CCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1 2294819189 YCNBWNBYXDAZRZ-RLVSJLICSA-N 977.483 12.461 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2297456652 FFIJQVGTGSOETI-UHFFFAOYSA-N 567.450 7.713 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12 2313556177 PSAMEUQIYOINOO-UHFFFAOYSA-N 544.405 5.473 50 10 KKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313676880 SQYKXFXXZWIXMD-UHFFFAOYSA-N 501.302 6.593 50 10 KKGE Clc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314498510 VESDQKDUCRCXCN-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(Br)cc3)nc12 2314532233 HLHRLVGGOXBXQO-UHFFFAOYSA-N 580.236 5.866 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592636 ZCBFTDNLFLNHFD-VWLOTQADSA-N 535.591 6.696 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593937 WCBSVFJFVABLPB-ZTOMLWHTSA-N 523.702 6.676 50 10 KKGE CCCCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314609982 BGXPDKBOLMUROU-UHFFFAOYSA-N 541.475 7.144 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314610586 JPALPMCPEJTGOY-UHFFFAOYSA-N 540.623 6.205 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(I)sn1 2317403144 LNCWJQWNTKBPPD-VIFPVBQESA-N 569.857 6.205 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sccc1I 2317418357 PAHYZLNOCKOYGC-SNVBAGLBSA-N 568.869 6.810 50 10 KKGE C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 2328818777 PDHVXTNIZDRIBH-NRFANRHFSA-N 509.610 5.570 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)CC2=O)cc1 2331231850 KHTZAPIOIAKAGF-SANMLTNESA-N 519.670 7.665 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331279626 WVPWSYDOZUZINB-UHFFFAOYSA-N 500.536 5.597 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311708 PXLIETYLUIDBGH-AWEZNQCLSA-N 514.390 5.749 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)CC2=O)cc1 2331398280 CQERDOFOHUSJTP-LJQANCHMSA-N 508.043 6.660 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404466 JCICALIAPDSANF-ZDUSSCGKSA-N 514.390 5.749 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CC[C@@H]3C[C@@H]32)c1Br 2333303927 ZAZLLKYXRAXQDO-LURQLKTLSA-N 580.778 7.609 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@H]1C1CCCCCC1 2357682737 ZIYNORXLGVJXDV-UMNHJUIQSA-N 505.541 7.969 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2364227739 CZONUNBPDGSWKH-SNVBAGLBSA-N 507.835 5.698 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2scc(Br)c2C)c1Br 2365196911 RCPHVDHKABEGTR-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE Fc1ccc([C@@H](CI)OCc2c(Br)cccc2Br)cc1 2366144248 CKULQHBRCPLVRI-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE CN(Cc1c(Br)cccc1Br)c1ccc(CBr)cc1Br 2366185486 WCORSQQJXNLZPF-UHFFFAOYSA-N 526.892 6.505 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cccc(OC)c3)cc2)sc2c1CC[C@H](C)C2 6167532 FGTJFHGIDQSLQL-VLYYVPBWSA-N 563.676 5.228 50 10 KKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14665918 CCRJAOLYQSCTNH-INIZCTEOSA-N 505.453 5.038 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 25329386 GJYUJEHZPNBNCN-KOEQRZSOSA-N 506.631 5.826 50 10 KKGE aggregator Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3/CCCC[C@@H]3C)cc2)c(Br)c1 33044090 NAFAAWLDHRYRRX-XPAHJXNJSA-N 508.254 6.395 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 38606494 BRLVADWTBJQYJN-OVVQPSECSA-N 524.621 5.265 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 38606630 VKCDCBUMXIINMF-PXLXIMEGSA-N 509.002 5.337 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 40950939 ACWPWBXSDADFNV-CCVNUDIWSA-N 515.835 6.334 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100190670 OLMDEHPOPOHEGN-UHFFFAOYSA-N 540.483 5.490 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241130 CYRLCXGNVMXMHY-NLTRVXJZSA-N 538.456 5.745 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101339493 GHXANKGZYLFBQX-KEIPNQJHSA-N 590.683 7.219 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 101339736 CJIIYKPQMQDMSW-OGLMXYFKSA-N 572.621 5.849 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 101369021 MBUOCJHANFLPHX-AREMUKBSSA-N 535.394 5.277 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OCC 101374771 JUEYHFBCWGFSMY-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1 101377749 IDOTXNORMKQSNI-ANVUIVQPSA-N 543.063 7.526 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5[N+](=O)[O-])ccc43)cc2)cc1 101378508 SXRFZOCTOCTUOL-WJOKGBTCSA-N 563.566 5.685 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1Cl 101391478 CSYFMDMQJFLVGW-DEOSSOPVSA-N 588.285 7.372 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 101395664 SRMHYOAJHFRHHC-PMERELPUSA-N 552.627 7.146 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594357 DGKRLUWNYJHJBV-KBVAKVRCSA-N 524.326 6.636 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 101641839 KFXVJHMZXXYTBP-UUWRZZSWSA-N 562.754 7.543 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 101712893 YRQDNGKCZURZDV-KVSWJAHQSA-N 552.252 6.181 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 101727209 DSVUMJUYTPRPCR-AMVVHIIESA-N 572.539 7.337 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104997314 ABHVDPPLRWYIDK-IPBDZQFASA-N 532.576 6.012 50 10 KKGE COC(=O)[C@@H](C(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544816 KXHPXNLLQGXVTB-POURPWNDSA-O 614.917 5.755 50 10 KKGE Brc1cc(Br)c(O[C@@H]2C[C@@H](Br)C23CCCC3)c(Br)c1 117316332 FDPFWMDHJBALPH-VXGBXAGGSA-N 517.881 6.449 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214304482 TZBGNEOSBHJDFG-PKAZHMFMSA-N 508.622 5.564 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214386704 WMYFPEFKUJBYPR-MIXAMLLLSA-N 602.716 6.953 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C2=O)cc1 214393367 GHWSTDLZDYSWQS-ZXSNDDASSA-N 620.709 7.228 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214398498 ASWPJGXCYNCEDF-MYYYXRDXSA-N 526.564 5.604 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)sc2c1CC[C@H](C)C2 254297862 VWPYGKQJDVKBOA-IBGZPJMESA-N 583.666 5.511 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2cc(Br)ccc2O)n1-c1ccccc1 254381343 LENQZBJOIWCBMD-QGZVFWFLSA-N 599.942 5.940 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)cc1)c1ccccc1 254520875 JUUMRPXPPCNFTK-UHFFFAOYSA-N 736.876 5.147 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(SC)cc2)c(OCC=C)c1 254706503 XURYPIFTKWBCDK-UHFFFAOYSA-N 595.743 5.282 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(O)c1 254733721 HFQCAEUACATLEK-UHFFFAOYSA-N 556.736 6.026 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(OC)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254740462 WGOAFFTVKPMBSV-UHFFFAOYSA-N 573.719 5.890 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1 310119739 UUYXIBSEACSNOH-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE Br[C@H](c1cccc(OCc2ccccc2)c1)c1cc(I)cc2c1OCC2 312123677 XLWBHESQXNBLTG-OAQYLSRUSA-N 521.192 6.289 50 10 KKGE ClCc1ccc(Br)cc1Oc1c(I)cc(Cl)cc1I 388243807 YHFCGCHTLVQLMK-UHFFFAOYSA-N 583.816 6.843 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616685232 DDRDLYBNIRODJB-SANMLTNESA-N 511.783 6.749 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3cc(Br)sc3Br)c2O1 720127521 XUQDNZNORHYVCX-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084056390 NTOKWDNEWVWXIT-RUZDIDTESA-N 624.359 7.096 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 1084060618 LCAICCOMUHGKEF-MHZLTWQESA-N 561.476 6.544 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084210097 OLHRZZNUPCOCAR-UHFFFAOYSA-N 717.476 7.439 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084216970 PVYUARWHBPMEPD-UHFFFAOYSA-N 500.023 5.794 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 1084229935 XUXRTKWLWLSKND-FQEVSTJZSA-N 550.793 5.633 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1 1084399869 UNBNBINJJGTZGJ-UHFFFAOYSA-N 566.677 6.607 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 1084448581 MTQANWUKPKPJSI-UHFFFAOYSA-N 506.773 5.323 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(Cl)cc1 1084481314 JXARQKLBTJDPSZ-UHFFFAOYSA-N 576.834 6.338 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Cl 1084601922 WBDLMNCZTSBRBG-LICLKQGHSA-N 579.221 6.731 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1C#N 1084619888 XBCSSFJTXKBEPL-OEAKJJBVSA-N 532.427 7.117 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3Cl)cc2Br)cc1 1084654616 CHKRJMDRCCPJOG-RUZDIDTESA-N 589.914 6.443 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743511 DPCFNUJKMCNZLC-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)ccc1O 1865681543 QDVMXXLODMOLAS-VWLOTQADSA-N 512.541 5.069 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865690978 GLHRNVXZSYWBMV-AREMUKBSSA-N 527.024 6.598 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692550 CCQNPQVFLWHYRW-GDLZYMKVSA-N 536.632 6.029 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865693050 RBFIWLLTYXXEBC-XMMPIXPASA-N 551.485 6.301 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693297 UJCMGPMAVYCECZ-VWLOTQADSA-N 559.022 5.504 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694947 GHDUHNXLIBSSGZ-VWLOTQADSA-N 561.867 6.648 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695620 QVLUCAHKGZRTAO-AREMUKBSSA-N 565.888 7.582 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865695932 JDZLHSPYISOCJW-MUUNZHRXSA-N 514.670 6.297 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OC(C)C 1865696571 HWTWKCVFCNRDLL-SANMLTNESA-N 510.569 5.751 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696754 QVWXYKLZWDMUJI-QFIPXVFZSA-N 549.812 5.888 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865697318 ZNQXJWUUNGBFEV-GDLZYMKVSA-N 550.659 6.652 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697501 UWIDKKZCHQTQBS-QHCPKHFHSA-N 513.425 6.147 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700759 CWHPCCCVYPWYAG-QGZVFWFLSA-N 550.638 5.537 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1C 1865702955 JKJWZKYNZDOCSQ-MHZLTWQESA-N 574.603 6.763 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1OCc1cccc(C)c1 1865704873 GRZWFXYBTIELJI-SSEXGKCCSA-N 572.640 6.852 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 1865715079 VJXCQNAFGMYKOG-QFIPXVFZSA-N 501.359 5.718 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866585654 MLLSESAHSUYYSO-HHHXNRCGSA-N 588.780 6.203 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cccc(N3CCCC3=O)c2)cc1 1866615299 WTPJHAOIDFEELE-VWLOTQADSA-N 530.675 5.057 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866966083 SDYGPCOWIHVOOR-LOYHVIPDSA-N 557.716 6.414 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccccc4)C(=O)C3)nc(-c3ccccc3Cl)n2)cc1 1868414983 SBFUTOKIZPVHHA-UHFFFAOYSA-N 513.026 5.967 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccnc4)C3)n2)cc1 1868528646 XVMFTADJYCITJT-VWLOTQADSA-N 510.623 5.832 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCCN1CCOCC1 1872781828 UJZAKTRBBSCSCW-LDADJPATSA-N 516.450 5.901 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872784091 BYCYJWXBNLZRLR-XDHOZWIPSA-N 511.594 6.188 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915076156 NOQHQKDAPRLPHP-AWEZNQCLSA-N 551.060 5.870 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915293255 KBHSYRIRHHCAAA-KRWDZBQOSA-N 518.087 6.274 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1Br 1915754574 ZKDZXXBZPMQHSI-UHFFFAOYSA-N 504.060 6.028 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)cc1Br 1922897007 KDBFSVOVHZYXJQ-NSHDSACASA-N 517.906 7.137 50 10 KKGE COC1(C(F)(F)[C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924568464 GZRFAOOSDZBLTG-ZETCQYMHSA-N 547.879 6.676 50 10 KKGE CC(C)([C@H](Br)c1c(Br)sc(Br)c1Br)S(C)(=O)=O 1924584627 ALZYTSUQOVKCIQ-ZCFIWIBFSA-N 533.927 5.295 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924592868 ANHUPLIFYZORJE-QMMMGPOBSA-N 586.738 7.422 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cnsc2)c1Br 2025779885 MSFIHHDFCYWSEE-QMMMGPOBSA-N 569.736 6.677 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012740 IROZDSOIJMGVCC-LYQOUQGNSA-N 812.941 15.172 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)sn2)c(Br)c1 2056488636 XJYYKVBFZAYNNT-LBPRGKRZSA-N 502.997 5.393 50 10 KKGE C[C@@H]([C]1C=CC=C1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 2081143518 NJINJCRIRIKJFX-NRFANRHFSA-N 733.493 10.744 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085499500 IYNYUUKZEQCXJJ-POYBYMJQSA-N 568.767 7.609 50 10 KKGE FC1(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085500143 XJKXMHKEVXWDCC-MRVPVSSYSA-N 572.730 7.455 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141476766 GTMGJPHZBHKPKP-CYBMUJFWSA-N 552.713 7.718 50 10 KKGE Cc1nn(C)c2sc([C@H](Cl)c3c(Br)sc(Br)c3Br)cc12 2175242177 AFAAETNUHLCYRF-VIFPVBQESA-N 519.509 6.620 50 10 KKGE FC(F)CC1(CBr)CCN(c2ncc(I)cc2Br)CC1 2189907356 XEMODGAMDRETJP-UHFFFAOYSA-N 523.985 5.085 50 10 KKGE FC(F)(F)[C@H]1OC2([C@H](Cl)c3c(Br)sc(Br)c3Br)CC1C2 2193097487 XERGCPKRYOTEPY-XHSCVUKGSA-N 519.402 6.425 50 10 KKGE COc1cc(C)c([C@H](Br)Cc2ccccc2I)cc1Br 2198739292 KVDSKCQFCNQSMA-CYBMUJFWSA-N 510.007 6.049 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)Cc2cccc(Br)c2)c1Br 2201072468 VAFLSUDZCPQDBA-CQSZACIVSA-N 525.904 7.270 50 10 KKGE FC(F)CCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2222475447 ULKFQMPTWZIWQA-SSDOTTSWSA-N 534.258 7.452 50 10 KKGE COc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)cc1C 2236011712 ISUOJFINTDOSMI-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC2(CC(F)(F)C2)C1 2238842505 BHXBRKSROPRFKR-QMMMGPOBSA-N 513.467 7.531 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2268288057 VPCWWVLVNMSWMX-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2F)cc1Br 2282135655 IMVAYRZYPDNUBX-CQSZACIVSA-N 533.830 7.045 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1scc(Br)c1Br 2285059331 VWHYNSPXGZSXQF-ZDUSSCGKSA-N 503.481 6.989 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(C(=O)O)cc1 2294155953 OEXZDWUMTJNLKX-UHFFFAOYSA-N 537.399 6.553 50 10 KKGE C[C@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 2295196145 XSLCAMPVVCGIBH-OYHNWAKOSA-N 522.270 6.937 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295267863 RFZNOKHPUGAVEO-ZDUSSCGKSA-N 501.871 7.506 50 10 KKGE COc1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCc1ccc(F)cc1 2297500343 HOZMEAMNBINWTG-UHFFFAOYSA-N 565.424 6.344 50 10 KKGE O=C(NC(=C(Cl)c1ccc(F)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297549128 PHGWIRSCZBBJGB-UHFFFAOYSA-O 536.994 7.115 50 10 KKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1I 2300949340 KSAUSBONMGYPMT-NSHDSACASA-N 553.428 6.403 50 10 KKGE Cc1cccc([C@@H](Cl)c2sc(Cl)cc2I)c1I 2301085597 GJHDIFRQRNNCTL-SNVBAGLBSA-N 508.977 6.247 50 10 KKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)ccc1I 2313545783 FNWJJRAKOYWMTP-UHFFFAOYSA-N 550.444 5.263 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313545915 NPXHMVSDQKELLB-UHFFFAOYSA-N 648.328 6.441 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 2313565247 VPWSGVLLIGHAEB-UHFFFAOYSA-N 507.340 5.281 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 2313567030 BJGZCKSWSMPYPY-UHFFFAOYSA-N 505.387 6.750 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1 2313570586 AJNARGRJQJTKMG-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OCCC)cc4)cs3)CC2=O)cc1 2331318457 MSFJBQZQLGTYAF-QFIPXVFZSA-N 501.652 6.787 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 2331363981 BKMUZCTXQIIXIC-UHFFFAOYSA-N 507.311 6.200 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 2337091316 ZBJYHMOONNFVRG-SECBINFHSA-N 576.732 7.919 50 10 KKGE Clc1c(Br)ccc(CBr)c1Oc1cc(Br)cc(I)c1 2338755094 MQZSUXCGFWOZCB-UHFFFAOYSA-N 581.267 7.157 50 10 KKGE BrC[C@@H](OCc1cc(I)ccc1Br)c1ccc(Br)cc1 2367602975 WTDNLXBBHIIYML-OAHLLOKOSA-N 574.876 6.469 50 10 KKGE Cl[C@H](c1cc2c(cc1Br)OCCC2)c1scc(Br)c1Br 2369631055 DBXQYVVZXOCHFD-CYBMUJFWSA-N 501.465 6.689 50 10 KKGE FC(F)(F)[C@@H]1[C@H](Br)CCCN1Cc1ccc(I)c(Br)c1 2377324649 QTKKSHLCUJYXSF-SKDRFNHKSA-N 526.960 5.344 50 10 KKGE O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Br)cc1F 3035263 BZWUXMOLOPCGPH-OAQYLSRUSA-N 516.238 6.004 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1O 36047194 KUBQZNKZPHHNEP-AJBULDERSA-N 504.546 6.130 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38681928 ITMCYAOQBGQCJF-GDLZYMKVSA-N 512.606 6.400 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OCC 38684322 QSIGBSKOAFFWGZ-MUUNZHRXSA-N 516.569 6.231 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1 40950101 MXEWNIALQZBCNQ-XQNSMLJCSA-N 502.567 5.400 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)CCCOc1ccc(CC)cc1Br 40959438 DNGDFHGGUNLARB-ZVHZXABRSA-N 512.242 5.482 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)OCc3ccccc3C#N)c2)o1)c1nc2ccccc2[nH]1 50568336 ZJFYWLNKAUVIAD-BKUYFWCQSA-N 504.933 6.769 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 100174940 MAMHPKDIJFSTGY-UHFFFAOYSA-N 544.405 5.208 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100186882 JYDDJQATZAQBPE-SFHVURJKSA-N 572.525 5.664 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335783 SZSJZMGOJRSWNN-LICLKQGHSA-N 589.773 5.986 50 10 KKGE COc1cc(/C=N\NC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869843 AWQGLRCBFDBHAK-ZMGVVAQMSA-N 623.456 5.385 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242550 IJIMOZBDNDHWRR-YMGIJWJESA-N 552.450 5.183 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101295750 XUFHLXUNQBCCBP-XMMPIXPASA-N 523.372 6.004 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101336511 QTBOQBPLXXQWPL-FDAWAROLSA-N 595.634 6.445 50 10 KKGE COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337996 UHXXLBWXZCHLHS-BBMHEYIBSA-N 547.438 6.934 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 101372113 SXIUCEJQERJXHJ-HKBQPEDESA-N 542.632 6.165 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101372274 JFBGBHOFFCBFMS-HKBQPEDESA-N 577.077 6.819 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 101374629 VQQLUILGJGARNM-PRAQEBQASA-N 560.622 6.384 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374756 ITHOOIGVVDNCPP-PVAZPRTOSA-N 584.713 7.369 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OCC 101374801 JPHZOQYXGMKFBF-DHUJRADRSA-N 588.704 7.610 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383126 KCYHVYKDXVDREE-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383792 WXWCEMIRGWCMQJ-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101384358 MWRGZNRAOJLSEB-LJAQVGFWSA-N 605.449 7.548 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385550 ISDODKCZLVMYKD-YTTGMZPUSA-N 595.095 7.662 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386903 KCIAYUYPWRASFW-HKBQPEDESA-N 566.585 6.249 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387121 GJKVHQNSCNRAHM-NFNOPJSLSA-N 604.678 7.548 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(Br)c1 101391289 SIUWZUNYNJUOGE-OAQYLSRUSA-N 537.822 6.755 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396780 CUHUARTUVVSWSQ-DEOSSOPVSA-N 565.478 7.824 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 101397560 USYSAHKUYQLPMA-MUUNZHRXSA-N 607.877 7.672 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)cc1 101406310 CXJWTMYFXGMDGB-ATVHPVEESA-N 520.916 5.981 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Br)cc1 101727577 HJNGLAOMGOCUBJ-AMVVHIIESA-N 616.990 7.446 50 10 KKGE CCOc1ccc(N(CC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 102291867 DSLRNOKPZWPSRB-QXPFVDMISA-N 557.672 5.318 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4Cl)c(OC)c3)cc2)cc1 103563188 VGPSIGSVUJSDQV-FABQOPTDSA-N 576.024 6.020 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741878 WUVGIJZBPWGONJ-VECHRTTRSA-N 601.353 6.541 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc([N+](=O)[O-])c1 103748002 XDNIUBZOCVRWRU-IPPBACCNSA-N 524.411 6.231 50 10 KKGE CCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920690 HNLMHAUNUCSDSQ-QNTQNTNTSA-N 549.678 9.503 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)c(Cl)cc2N1 128556170 HRLRTQXGNRFSPY-LBPRGKRZSA-N 500.437 5.905 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 150422535 WMDFRLQTHMOLAW-NRFCLKMUSA-N 627.306 6.540 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 150428568 AUKXVBZMKKTTEZ-ZZJXEYPFSA-N 655.302 6.134 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150476948 IZDSLCBHRDJWSC-RUZDIDTESA-N 714.857 9.514 50 10 KKGE CCOC(=O)c1c(C)nc(-c2ccccc2)nc1SSc1nc(-c2ccccc2)nc(C)c1C(=O)OCC 169525147 XVGDTHQEISRUIP-UHFFFAOYSA-N 546.674 6.370 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214226717 FIOJOXVRAWZXQT-FSGOGVSDSA-N 560.629 6.650 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 214363856 XQMVGRJTSWKNFB-CEUNXORHSA-N 532.644 6.338 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214400322 KJGZSHKMAZDALR-BCJTWVECSA-N 614.746 7.342 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214421313 VWPOZNORPBCGNW-FSGOGVSDSA-N 586.648 5.582 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 227831197 FWZWWZNNVKEFME-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1cc(Br)sc1Br 229518386 CALLEJLDTSJLMP-JTQLQIEISA-N 557.849 7.539 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)o1 252610817 IDSOFVXYASTLJL-UHFFFAOYSA-N 560.613 7.420 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(N(CC)CC)cc3O)nnc2-c2ccccc2)cc1 254407282 HYVOTSMPVWTBRV-UHFFFAOYSA-N 544.681 5.127 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1)Nc1ccccc1 254411799 QGSDQKCJJJQWGS-JGCGQSQUSA-N 564.667 5.242 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2-c2ccc(C)cc2)cc1 254488768 LYEBONABASJBKF-UHFFFAOYSA-N 547.684 6.373 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCCC)cc3)c(OC)c2)cc1 254866699 PPADNXAZURRQPB-UHFFFAOYSA-N 548.636 5.801 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 257372436 HXHZBDGHMVVORA-RKMIQLLVSA-N 544.893 8.526 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 604938966 VUNSKLXNHPLZTO-LHIMGHAPSA-N 641.142 11.582 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616587564 RIXWVOLVZQUWKY-VXTFGOAZSA-N 692.823 5.763 50 10 KKGE CCCCCCCC[C@H](CCCCCC)CO[Si](OC[C@@H](CCCCCC)CCCCCCCC)(OC[C@@H](CCCCCC)CCCCCCCC)OC[C@@H](CCCCCC)CCCCCCCC 642772096 KIAVRPCRHXOERO-VPUOQKLJSA-N 993.842 22.837 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1cc(Cl)ccc1I 708100882 XBLJPUITHVYJLD-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3scc(Br)c3Br)c2O1 720043097 NBBZIEDADCUAGO-KSBSHMNSSA-N 545.916 6.843 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 1083903971 LOVMWXDSYPGZOY-SANMLTNESA-N 596.319 6.908 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)ccc21 1083954540 LKMJBHBROGKQCB-UHFFFAOYSA-N 516.645 7.128 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 1083976079 KNTVJAVIWSTXHT-NRFANRHFSA-N 506.342 5.524 50 10 KKGE O=C(CNc1ccc(I)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084080762 HTQUZXGJBDOKMN-UHFFFAOYSA-N 564.221 5.195 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1 1084206996 ZSRDHMMBLMGZIE-UHFFFAOYSA-N 625.510 7.709 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084425135 SDUQUABKTUWQSF-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1 1084440926 ODHNHUISDASHBW-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084473494 WVDSCBLKINMNSZ-UHFFFAOYSA-N 620.171 6.534 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)c([N+](=O)[O-])c2)[C@@H](CI)C1 1614623653 QYXNBTZBKNEMDI-JKSUJKDBSA-N 545.171 5.145 50 10 KKGE C[C@H](CCCI)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](OC=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC=O)C[C@H]1C[C@H]3OC=O 1848441067 WSCYWNVMTSPMCJ-ZYMWRUTMSA-N 588.523 5.341 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682575 RTHHQZVDPGRVFY-XMMPIXPASA-N 549.414 5.846 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865689025 IDITWRLGZDJFRC-SSEXGKCCSA-N 520.633 6.053 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)c1 1865689668 CFLHFSYSSLXGTL-HHHXNRCGSA-N 506.606 5.841 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865690749 ABAQGJJGEAXALO-VWLOTQADSA-N 527.452 6.673 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865691840 CGTYECIFENYQMS-DEOSSOPVSA-N 569.475 6.191 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865694305 SUHLNBGEIDVVHY-WJOKGBTCSA-N 542.639 6.784 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865695983 JJAVUNYZPQZBBJ-QFIPXVFZSA-N 546.977 6.730 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Br)c1OC(C)C 1865698650 ZNTIETGEAFLTFL-RUZDIDTESA-N 571.475 6.375 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701204 OXJFFJKEYFUPIP-GOSISDBHSA-N 544.247 5.655 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701477 WLLFAIGTSMREIS-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1cc(Br)ccc1F 1865701892 HLZBULBIICNZBK-JOCHJYFZSA-N 519.349 5.857 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(OC)c1O 1865714749 PGQCFZVTQLAJNL-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866643895 LGMLWMZNXOSBDI-AREMUKBSSA-N 510.619 5.440 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887012 BSLSUCYYDWZZPW-DEOSSOPVSA-N 574.149 5.134 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009065 DFFBNNDEDKLIQU-LOYHVIPDSA-N 571.699 5.834 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 1872753504 ABOQNQLCYGNUFO-RNDJKCMBSA-N 501.652 6.406 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)cc1OC 1872791723 PWADQPRGMDEIGS-OVCLIPMQSA-N 501.402 6.061 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3)n2)cc1OCCC 1872818316 WTAOGFDHIQTWED-XDOYNYLZSA-N 512.031 6.264 50 10 KKGE CC(C)(SC[C@@H]1C[C@@H]1Br)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1877474699 OBHMHTYKPMFPLW-WVFSVQOHSA-N 504.446 5.274 50 10 KKGE O=C(c1csc(Br)c1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915264915 UHNGGKDVQVEZGX-AWEZNQCLSA-N 522.100 6.089 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2Cl)c1Br 1922899059 ZUIRUGJIFQBQER-JTQLQIEISA-N 538.324 7.482 50 10 KKGE COc1sc([C@@H](Br)c2csc(Br)c2Br)cc1Br 1946725284 CDJPQRGPHGUAER-ZETCQYMHSA-N 525.907 6.590 50 10 KKGE Cc1nc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)s1 2003568669 KORRJNIVBXZFRF-SCSAIBSYSA-N 500.890 6.829 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cccc(Br)c2Br)c1 2031478710 IUHNTHZSPXDSQD-GFCCVEGCSA-N 562.719 7.221 50 10 KKGE Cc1cccc([C@@H](Cl)c2ccc(Br)cc2Br)c1I 2083330657 RIAXLKQGMRPLCM-ZDUSSCGKSA-N 500.399 6.453 50 10 KKGE C[C@]1(F)C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085495357 QHVNYCAZIZIJOB-IDTHNEBUSA-N 528.279 7.155 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468184 HGKCEQKEQDWDNZ-FXLGRURVSA-N 594.683 7.371 50 10 KKGE CC1(C)CO[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469771 WVHJQOKXCBUVSZ-QPUJVOFHSA-N 584.766 6.988 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC[C@H]2CCCO2)c1Br 2141471040 NJXVZDONIHAACY-SFYZADRCSA-N 584.766 7.132 50 10 KKGE CC1(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141471427 RJVXFMIXDDELEW-SNVBAGLBSA-N 538.343 7.987 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472135 ADYGGSCBSIVPDH-JTQLQIEISA-N 662.659 7.748 50 10 KKGE CC(C)(CC(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473638 ROYZKTSOSWUNRE-LLVKDONJSA-N 592.736 7.854 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCCC12CC2 2206396822 BFUFOHAMWBEQAS-RMLUDKJBSA-N 550.354 7.987 50 10 KKGE FC1(F)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2216422278 VGZFJSGCEPGPCK-SPGJFGJESA-N 517.853 6.702 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)c(Cl)c1Cl 2232518574 DLORQIBXBDNJAW-LLVKDONJSA-N 589.707 8.105 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2234066395 KDMATPDSAFAZGV-MRXNPFEDSA-N 511.689 6.180 50 10 KKGE Clc1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263448737 PVWTWUIMADZARU-SECBINFHSA-N 538.324 7.368 50 10 KKGE Cc1cc([C@H](Br)c2cc3sc(Br)cc3s2)ccc1I 2278091384 MBTPHYZJKICELU-AWEZNQCLSA-N 528.072 7.123 50 10 KKGE CC1CC(CBr)(CN(CCCNC(=O)OC(C)(C)C)c2cccc(Br)c2)C1 2280048341 AUJIFSYWRSADHD-UHFFFAOYSA-N 504.307 5.982 50 10 KKGE Cc1c(Br)cccc1CO[C@H](CI)c1cccc(Br)c1 2283652064 PEIDLYSLBXEBAT-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2296507112 UDDHMWCONQOTFZ-DEOSSOPVSA-N 515.566 5.067 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790072 MBJQFFLVCAFWDE-UHFFFAOYSA-N 539.635 6.017 50 10 KKGE Cn1ncc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1I 2299536580 ZIXLDPUZBGCCKB-KRWDZBQOSA-N 562.043 5.851 50 10 KKGE Cc1scc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2303600415 ICATTWQIQCZMPV-LJQANCHMSA-N 531.107 7.645 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 2313518454 DOZIZACZWSORON-UHFFFAOYSA-N 590.699 7.388 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521450 OYCPULQYWNBTNP-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566826 BIMSKDKYONKZLM-UHFFFAOYSA-N 631.368 7.200 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 2313571169 OZADTRJAYMMVOF-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 2313671273 XVROWPRLWHWQLZ-UHFFFAOYSA-N 507.384 5.981 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592299 QFODJJXFANNWEH-HSZRJFAPSA-N 534.435 5.523 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 2314619077 ZJTDBOWLDFJMAT-UHFFFAOYSA-N 518.573 5.632 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 2314634465 VPABGWWBBMMCRV-PMERELPUSA-N 555.417 7.623 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634870 YBCSLOOAXOBGMJ-YTTGMZPUSA-N 552.671 7.009 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331273436 FFRAGVXYKUGUBN-UHFFFAOYSA-N 501.007 7.557 50 10 KKGE C[C@@H](c1ccccc1)N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331358877 XRWFBFAWGCHSID-REWPJTCUSA-N 507.615 7.005 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCc1ccccc1 2331413842 PYNSZFZPVGQTOK-UHFFFAOYSA-N 500.623 8.129 50 10 KKGE Fc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Br 2336043836 IQPLYNIYJDHXLL-HXUWFJFHSA-N 519.035 7.911 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336079386 GBNYMQWZNMBYKI-NRFANRHFSA-N 515.072 8.128 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)c1Br 2337092782 WDARMZJCBGDMEI-QMMMGPOBSA-N 621.183 8.075 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 2338023887 MOADMKMCACTCKK-CQSZACIVSA-N 578.933 7.315 50 10 KKGE Clc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(I)c1 2340067332 APVKFEFBWYKRQO-ZDUSSCGKSA-N 532.466 7.130 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)nc(C)n2C)c1Br 2362485027 BELJYVMNJLUZSE-GFCCVEGCSA-N 529.896 6.117 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Cl)c1csc(Br)c1Br 2380935951 YLXNOXUVVPBNIV-CQSZACIVSA-N 501.509 7.796 50 10 KKGE CCC/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 33467198 UVMBBOAFMDADIN-PLRJNAJWSA-N 504.222 6.064 50 10 KKGE O=C(COc1ccc2ccccc2c1)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 33767679 PIHUBEQJKMIPAB-KJOYBFGUSA-N 502.014 5.438 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38682791 NIGANNFSCOBBBF-VWLOTQADSA-N 509.389 6.610 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3F)nc12 39858730 BDQKAXNDYXTUHU-VBKFSLOCSA-N 508.431 5.499 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1)CC3 39881548 HGPIYZSUYFJNNM-UHFFFAOYSA-N 501.384 5.075 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 40530076 UILALFHYKRPVQC-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OC 59680361 QQLBHLHHYPPXCF-ZCTHSVRISA-N 511.578 5.167 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1OC(C)C 97914874 QMFNNKLCPOFZBS-MUUNZHRXSA-N 519.126 6.320 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 100237385 VRJBKEQUJNEFLL-RDNGQCRJSA-N 551.470 7.088 50 10 KKGE CCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 100870050 RYFLPMWVRRJWGI-QVAGMWBUSA-N 541.449 6.254 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241030 LESAEOUEALLULI-HFVAWESISA-N 560.517 6.315 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101334093 CVUYSUXNHVOTMV-DMGPTTAYSA-N 515.411 5.693 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101337728 RUCKOZLIZDFDLE-UJUJBVAOSA-N 524.580 6.639 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCCC(C)C 101368344 JKUUGIPXNJFQSD-SSEXGKCCSA-N 542.632 6.345 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc(OC)c1OC 101368602 KOGPRWCUARYDJC-HSZRJFAPSA-N 527.360 5.457 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1F 101388908 REDGFRRRLPFNBX-LPYOBDFFSA-N 562.597 6.640 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1OC 101392592 OYDVOZPNRFMHOF-JOCHJYFZSA-N 553.423 6.663 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101395761 ZCWQSCWNHMZAKI-GDLZYMKVSA-N 603.140 8.124 50 10 KKGE O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 105060907 AZBZAFJJKNZMBT-XODNFHPESA-N 544.236 6.138 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC(=O)N2 140480406 REYWQKDXELGBMI-DIUBKPNJSA-N 561.594 6.256 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 150478039 ZRKZGTXEMDFMBY-HKBQPEDESA-N 633.503 8.328 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3cccc(Br)c3)cc2)c2ccc(C)cc2)cc1Br 164600594 WKGWUBCRGXHMSY-QNKGDIEWSA-N 685.438 7.078 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214235309 UVTIUZUYRSWCNN-MGVXIEOLSA-N 611.768 5.742 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214420951 QNFJIWJWIRZWCA-YUMHPJSZSA-N 552.631 5.038 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)s1 235811929 RZQIPXHIKJQHLE-NSHDSACASA-N 550.879 6.670 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)NN=Cc2ccc(N(C)C)cc2)n1-c1ccccc1 252605612 GKRHTWFXPREEEF-UHFFFAOYSA-N 534.089 5.150 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc1 252633626 WEXDFIMZGLYWCW-UHFFFAOYSA-N 562.621 6.778 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498457 PDBJUWKMSORENK-ZFAHSIJISA-N 658.644 10.881 50 10 KKGE biogenic CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2cc(C(C)C)ccc2C)cc1 254508803 XZRUAWZVMDXWPM-UHFFFAOYSA-N 510.638 6.289 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2OCc2ccccc2)cc1 254741843 GRQQEUGCSCVXGH-UHFFFAOYSA-N 514.581 6.710 50 10 KKGE O=C(CSC1c2ccccc2-c2ccccc21)NN=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 254746126 JOLIESDMEGDHLW-UHFFFAOYSA-N 525.605 5.797 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 254765956 NVZLQQVYTKRWPU-UHFFFAOYSA-N 561.679 5.783 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254875563 ZKHXKYAFMVSMMW-UHFFFAOYSA-N 571.762 7.635 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 254904857 GZIDNTJPAHHJSO-UHFFFAOYSA-N 593.709 5.441 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1cc(I)cc2c1OCC2 379945688 CXMMBUYWFBSNKH-AWEZNQCLSA-N 575.409 5.921 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C([C@@H](O)C(=O)[C@@]12C)C3(C)C 504772396 BUIVYZUATKNANR-VGIMJBARSA-N 773.125 7.141 50 10 KKGE CC(C)(C)c1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237217 BLGGVYYUNZSVMX-JOCHJYFZSA-N 508.993 7.016 50 10 KKGE CC(C)(C)c1cccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237270 CHAWBSJRTBJYOQ-QFIPXVFZSA-N 508.993 7.016 50 10 KKGE CN1CCN(CCCOc2ccc([C@H](C(=O)Nc3ccc(-n4cc(CNC(=O)CCCC[C@@H]5SC[C@H]6NC(=O)N[C@@H]65)nn4)cc3)N(C(=O)CCl)c3cccc(C(C)(C)C)c3)cc2)CC1 1082548679 LSCMDDVUTVJIOG-XKOJNNTLSA-N 913.590 5.875 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1083972523 GLPHUGOZEAMAGV-PXLXIMEGSA-N 536.857 5.937 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084002682 SUISJPGJOFLHFF-UHFFFAOYSA-N 662.437 6.547 50 10 KKGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084008144 BYLWJSDMMRHBLN-UHFFFAOYSA-N 576.447 5.540 50 10 KKGE COc1ccc(C(CSc2nc3ccccc3s2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 1084170515 BXTHIAOBKUZWMA-UHFFFAOYSA-N 523.552 5.048 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 1084203234 HRZCTIMWYVOINH-MHWRWJLKSA-N 547.192 6.789 50 10 KKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc2ccccc12 1084286245 BLBRKJDWNYYROL-UHFFFAOYSA-N 530.624 6.204 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl 1084314809 YEGHVFYCNLHIOO-UHFFFAOYSA-N 541.218 5.977 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747632 DWNQHPRAGQDIAF-UHFFFAOYSA-N 589.479 5.958 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747827 UPBLQKPCRKDIDM-UHFFFAOYSA-N 515.353 5.455 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2)c1cccc(C)c1 1772749158 IFRIFIPHYGGLEX-UHFFFAOYSA-N 528.436 6.106 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 1772760517 MCNXZZYXVPYTJX-UHFFFAOYSA-N 546.501 6.823 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683455 FACRYSIDSAZGEW-QHCPKHFHSA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684005 KWJZPFUTXGEUMP-SANMLTNESA-N 516.557 5.633 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCCc1ccccc1 1865688371 QMTADCCUWUJYCR-QFIPXVFZSA-N 512.532 5.406 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865689296 OVUUVWXXYBANJX-MUUNZHRXSA-N 536.632 5.931 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695716 ROWXLMAVKGQBMR-AREMUKBSSA-N 514.988 6.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865696185 XZBVAEXZEAUUKP-LJAQVGFWSA-N 541.611 6.049 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701529 XNZQHTYQBBNRGF-MHZLTWQESA-N 561.469 6.937 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705221 OXWGPHPZXHOJDB-MHZLTWQESA-N 536.588 5.279 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715086 VNGYFDNWLUEKDQ-HSZRJFAPSA-N 564.385 5.746 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715123 WQNNXGPZFFKPKD-SANMLTNESA-N 538.604 5.165 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@H]2c2ccccc2)n1 1868253212 CNKJJYMWQMTSOA-JGCGQSQUSA-N 535.717 7.258 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868457072 YRCBIFFMBONMLB-VWLOTQADSA-N 540.599 5.685 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC 1872758345 WFYCPOAZPKBEHE-SDXDJHTJSA-N 520.394 5.365 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1Cl 1873499185 ISFWSBFCFKSZGH-RGKQAONTSA-N 502.011 5.025 50 10 KKGE Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)ccc12 1873794155 WDBDDSXYPDKACT-VFLNYLIXSA-N 511.361 5.516 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1 1922897943 QYFPQCXYVJSICB-NSHDSACASA-N 517.906 7.137 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2csc(I)c2)c1Br 1922935453 PVCMNUOTIPJFAY-QMMMGPOBSA-N 556.908 6.732 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(I)cc1 1923054970 MRWNVSMXTXJUFG-MRVPVSSYSA-N 526.846 6.859 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@H]1COc2ccccc2O1 1923071782 KUFDSZFXPVXWBK-SCZZXKLOSA-N 503.437 6.203 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cccc(Br)c1Br 1924063616 TUQPZKGWNOFYQQ-ISVAXAHUSA-N 512.865 6.609 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924593805 ICIFKMLTNJGPLB-SSDOTTSWSA-N 542.287 7.312 50 10 KKGE Cl[C@H](c1coc(Br)c1)c1c(Br)sc(Br)c1Br 1924604766 HTMPRFRRKLAYPU-SSDOTTSWSA-N 514.258 6.719 50 10 KKGE FC1(F)CCOC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2047871398 FEOMOHKDIZJILG-INEUFUBQSA-N 533.852 6.143 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)ccc2Br)nn(C)c1Br 2049257936 IKKGTAHTGSKXNN-SNVBAGLBSA-N 501.842 5.500 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCCCC23CC3)c1Br 2053371313 NNJRXKYKIWRFNE-APPZFPTMSA-N 521.938 7.442 50 10 KKGE CO[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2062718625 RJYPIMOOCOMFIQ-OOZYFLPDSA-N 525.926 6.677 50 10 KKGE CCCOc1ccc([C@@H](Br)c2cc(I)sn2)cc1Br 2120031360 IMIJAKXEBWPHSE-CYBMUJFWSA-N 517.024 5.783 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(Br)ccc2Br)cc1Br 2198737868 UDJLIQASXJUDOD-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Br)cc1Br 2202997329 JMZFEYDFHVHLKU-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE C[C@H]1O[C@@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206401285 IJLVWEIHANOZNU-ZNNYPSHMSA-N 596.777 7.130 50 10 KKGE Cc1c(Br)csc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2226123282 FWFVSJLZEDPPKS-LLVKDONJSA-N 617.220 8.197 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Br 2235605727 TUXQSTJDPVBICP-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1 2272742338 YCNNZQHEEMHIEG-NSHDSACASA-N 519.803 6.737 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 2295116821 MNZUESFCFHVYIX-UHFFFAOYSA-N 605.651 5.581 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295279857 SZPNQUBGVUDYSA-CQSZACIVSA-N 501.871 7.459 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2296506888 JSDHYVNETDFYQO-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE C[C@@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2297462662 NSYXTAJIOOWVSE-PYIPKVFUSA-N 533.757 6.025 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1cccc2ccccc12 2313510863 AJXJXTJREHBQIT-UHFFFAOYSA-N 574.418 6.886 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O 2313570751 FNBIQKFEEFEDQL-UHFFFAOYSA-N 514.159 5.164 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 2313570951 JWBAGCBERDUSRN-UHFFFAOYSA-N 512.349 6.425 50 10 KKGE C=CCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397379 HUENDTWGORXFCR-UHFFFAOYSA-N 567.926 6.062 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 2314479356 QCAXRIFYIQJPJA-DEOSSOPVSA-N 595.725 5.904 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2F)C(=O)N1c1ccc(C(C)C)cc1 2314591743 CPMJODQWFJAYLB-AREMUKBSSA-N 515.610 6.023 50 10 KKGE CCCCCCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCCCCCC)c(OC)c2)cc1 2314729109 WMJFFEFYHMEPNG-UHFFFAOYSA-N 506.643 6.937 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1scc(Br)c1Br 2316170753 LGZMNHSXYSRVQU-JTQLQIEISA-N 537.962 7.534 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c5ccccc45)cs3)cc2C1=O 2331406429 LNQQPKZITDSLHJ-MRXNPFEDSA-N 509.587 6.316 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 2331462825 VDQDGVXVMKYCCK-UHFFFAOYSA-N 505.384 7.102 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCc1ccccc1C 2331485792 ZNPXLNCBNDCWHU-UHFFFAOYSA-N 510.659 7.786 50 10 KKGE C(=N[C@@H]1CCCC[C@H]1N=Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2333326763 GCUKRENTSKVSIL-NCRNUEESSA-N 658.766 8.052 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 2338027111 UFVJAEODEXWNBC-AWEZNQCLSA-N 534.482 7.158 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2csnc2Br)c1Br 2339655374 FEOFDSALLQBQLS-VIFPVBQESA-N 534.893 6.232 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2364065043 YKWUDQXEHMLTBJ-VIFPVBQESA-N 529.852 5.127 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 6075471 CJOYDLIVWDNREM-MHVRBMKMSA-N 509.433 6.764 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)NCc2ccco2)cc1 16739778 LBZSALQBEBERJV-KVHSSYOWSA-N 512.418 5.638 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Cl)c(Cl)c1 32522845 JUKFNDBMPMGDON-KKMKTNMSSA-N 515.422 5.700 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1 33385777 YZHJLENUSIKDTC-LGUFXXKBSA-N 507.597 7.367 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(Cl)cc1 35447078 RWCGAWLEJKVDJC-ZMFRSBBQSA-N 504.055 6.332 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655938 ITFBMQKBJFMUNZ-MHZLTWQESA-N 501.369 6.513 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 38686138 SQNAMQDXBLKMOT-WHLCRQNOSA-N 516.569 5.986 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(F)cc1 38688024 WWVMUZIEPKHZCL-OAQYLSRUSA-N 511.361 6.785 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)oc2c1C 38688559 IABBPKWIZMJGPJ-MUUNZHRXSA-N 500.554 6.949 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 40529627 CJXGNYLAULENQX-QFIPXVFZSA-N 501.753 5.849 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 40890571 PQDVFXNIPCOUDS-PTGBLXJZSA-N 504.026 7.475 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Cl 59266354 YVJYLPIMVDMRMY-WOJGMQOQSA-N 516.222 7.189 50 10 KKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915116 SYUNGKJYLKKBPV-UFHPHHKVSA-N 529.077 5.263 50 10 KKGE O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100097009 WMRMGSRZAJLRSY-UXBLZVDNSA-N 597.716 5.132 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 100097504 LNORELMSNCVZJR-OMUPBXIWSA-N 555.107 6.667 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)cc1 100237838 XEWWHWXVRNFQAA-WGNDPNKDSA-N 592.861 5.886 50 10 KKGE COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12 100326089 DGJMLQFYJMCNRB-VWJSQJICSA-N 557.366 6.973 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCCO3)[C@@H]2Br 100869362 VCFWTJNQGOTTBE-BVGQSLNGSA-N 538.074 5.082 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@H](CC)C2 101193865 BLCDWQZRCRXKHM-KXGFGANYSA-N 542.579 7.264 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243084 GLMBXHRSHPFDMP-RUNFUFMRSA-N 550.511 6.859 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)c(C)c1 101333541 GASBYUZJVXUNLE-ZTKZIYFRSA-N 534.660 6.585 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C2=O)cc1 101340156 IOSPUXVJWWZNPY-NDZAJKAJSA-N 542.639 6.000 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362510 QQTPNQDEEVNNIV-PRAQEBQASA-N 536.559 5.996 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c(OC)c1 101365673 KAIAIFYJLWVBCZ-VWLOTQADSA-N 527.360 5.213 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101367116 CAXFRJYXKHONCA-FRJOFTSTSA-N 523.372 5.848 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101383053 PAAATXVBYJKKCY-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101386498 JVJYMENPPSZZGJ-PMERELPUSA-N 536.559 6.159 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101390766 RNOJFJPLDXVWTJ-HHHXNRCGSA-N 528.992 6.929 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101392482 INTLKFDYZOYDQV-AREMUKBSSA-N 551.426 6.784 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397620 TVDWHAGPAPZVBA-NDEPHWFRSA-N 599.495 8.224 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610275 HAMLAUFKQMTPNZ-KVQDIILNSA-N 529.596 6.344 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612393 QEAYDGVOVDPDGD-STBIYBPSSA-N 556.229 6.656 50 10 KKGE CNC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)sc2c1CCCC2 102621545 BKKBSKLFNWVJBO-PGMHBOJBSA-N 521.646 5.693 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 102932839 RKFOOUBLTXHIIG-PXNMLYILSA-N 532.767 6.688 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 103880120 FVMGEUHDWIDSIL-LGJNPRDNSA-N 571.327 5.297 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(F)cc1Br 128874269 LRQVFINNEPSMHH-SNVBAGLBSA-N 525.832 6.798 50 10 KKGE Cl[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 137693986 PCQHHGZMQLZGQM-YODGASFJSA-N 559.102 6.923 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 150382835 YTPWNGCORFXUKS-MGCJZSHXSA-N 627.704 6.250 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150406229 VOPKKVLJWHPLHK-UHFFFAOYSA-N 652.203 5.114 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2Br)cc1Br 161224312 NIONUDMCFQNQHL-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)ccc2o1 164636459 WLXDDRQVBVPMMR-LUOAPIJWSA-N 652.093 6.971 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 198484044 MILYVWHUDKCSIS-QNLDFOSSSA-N 924.727 18.718 50 10 KKGE CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2OC(=O)C[C@@H]21)O[Si](C)(C)C(C)(C)C 204474189 FNKWBXQWAOGUTD-QUSHLLSHSA-N 524.935 8.491 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206689984 WILFNACKBSRDMZ-WHDRFIEPSA-N 514.578 5.699 50 10 KKGE CC(=NNC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2ccc(Br)o2)c1 252622648 NZQLGANPIZZBNJ-UHFFFAOYSA-N 511.195 5.272 50 10 KKGE CC(=NNC(=O)Cc1ccc(Br)cc1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 252629690 ULNXJMITVNVJKV-UHFFFAOYSA-N 514.807 5.203 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1 254744162 SANYZIUXFHOQGW-UHFFFAOYSA-N 645.529 6.376 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(COc2cccc3cccnc23)cc1 254744775 BBOANGGIISNHBF-UHFFFAOYSA-N 563.617 7.177 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)cc(Br)c2)c1Br 312395678 PFFJWEJOCAGENH-SECBINFHSA-N 557.849 7.539 50 10 KKGE Clc1ccc(I)c(COc2ccc(CBr)cc2Br)c1 405318184 XOTSZKRWCQNZNS-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](C[C@H](Cc1ccccc1)C(=O)O)O[Si](C)(C)C(C)(C)C 504573876 UEVGWVOLUCPPDE-JIMJEQGWSA-N 527.778 6.846 50 10 KKGE Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)ccc1I 1083903968 KMBIIPYTKRRYOI-BOPFTXTBSA-N 550.227 6.860 50 10 KKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 1083997297 HILPYXAQABTFQA-UHFFFAOYSA-N 512.075 5.780 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1 1084109833 FHJPUDRCBADBRM-YBFXNURJSA-N 560.275 7.588 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084191054 WHBRJMGUHWXRNK-UHFFFAOYSA-N 523.203 5.746 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 1084217862 JPRJONLYGGDKLG-UHFFFAOYSA-N 508.651 5.556 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084240330 ADNJJFSCVFFEAP-UHFFFAOYSA-N 642.565 5.714 50 10 KKGE COC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OC 1084265625 LGZGNODHNLOCQU-UHFFFAOYSA-N 622.099 5.962 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084379572 BCIHCMNMTIPTRL-UHFFFAOYSA-N 597.568 6.870 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084381201 RQBICVXZVWTWEA-ONNFQVAWSA-N 596.002 5.370 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)c(Cl)c1 1084385040 DNOBCGYVVOTGTG-UHFFFAOYSA-N 522.226 6.498 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084644962 FSKMHVQXHMGGHV-GIDUJCDVSA-N 719.100 7.056 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743771 IFZWVZUVEXZGJR-UHFFFAOYSA-N 534.332 6.092 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743956 MGPVTYTVKBYCPC-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748571 ZGWSHZYRVJGAOI-UHFFFAOYSA-N 513.797 5.483 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccccc1Cl 1772754851 YNIMMDIEYAYZMJ-UHFFFAOYSA-N 559.888 6.651 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC 1772755069 KMXIDXQXIULCPR-UHFFFAOYSA-N 506.447 5.222 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684265 OZGVVSCUSMRRHN-LJQANCHMSA-N 504.215 5.781 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686276 TZZKRQSOZTVKMP-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688224 NKUVXVNTMYALGJ-HHHXNRCGSA-N 535.003 6.581 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865690029 ZKACSYVKZAKMJU-SANMLTNESA-N 543.023 6.217 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3cc(C)ccc3C)cc2)cc1 1865692375 FESPMQNXSOIIPW-SANMLTNESA-N 544.577 6.673 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865692556 CIHFDXNMPRKEBS-RUZDIDTESA-N 546.549 6.146 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Br)cc1 1865693134 MCPZCYHCXWMQBJ-DEOSSOPVSA-N 573.447 5.936 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865693530 KMBOPNXSUCIXJQ-VWLOTQADSA-N 512.997 6.208 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1O 1865695977 JIULCIGBSXODMI-OAQYLSRUSA-N 519.786 5.879 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OC 1865696568 HWTWEUCYKOITFS-RUZDIDTESA-N 525.024 6.082 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696750 KABNVFSKMDMGPP-HHHXNRCGSA-N 500.643 5.730 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700722 BXFITZXRYYDBGC-PMERELPUSA-N 569.105 6.960 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1F 1865701957 JIECKNIZYIDBJQ-OAQYLSRUSA-N 521.777 6.312 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703078 MPSFJUPUTOPNHE-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703298 SQLLEYMTNHEDAJ-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704332 SQLJQPCPZGYASG-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc(Cl)c1O 1865706999 LIISAHDAUWHQKJ-OAQYLSRUSA-N 549.812 5.888 50 10 KKGE Cc1cccc(-n2nc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2C)c1 1866839989 SFEMFHWAHMTACX-RUZDIDTESA-N 513.598 5.181 50 10 KKGE CCCC[C@@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931357 GKEZSMQBIJLLAY-MUUNZHRXSA-N 538.673 6.427 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)C[C@H]1C 1868320593 LLYJJVGHOGCSPU-SZPZYZBQSA-N 502.688 5.704 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc5c(s4)CCCC5)CC3)n2)c1 1868506202 UDZSYASJTKICBD-UHFFFAOYSA-N 554.745 7.188 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H]1C 1868545285 UQBAXDWMWYEYEE-DHIUTWEWSA-N 544.769 6.693 50 10 KKGE O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc(OCc3cccc(CCl)c3)cc2o1 1871437328 RZUBBTHNMFZPJA-UHFFFAOYSA-N 523.766 6.647 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758684 LNJAOJWPAXNWNE-LGMDPLHJSA-N 501.307 5.114 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(C)cc1 1872781819 UAXXKMZAUQFUCC-RGVLZGJSSA-N 507.442 8.077 50 10 KKGE C[C@@H](CCCl)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915131587 YDJQAVUUPNAEGH-ZDUSSCGKSA-N 506.609 5.714 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 1923066566 RCDKAQVHWPNRSE-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE COc1cc(OC)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923070978 FZIWNWIIESOCFU-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1c(Br)cccc1Br 1924063172 NHZCJVJITMGWAI-RMLUDKJBSA-N 512.865 6.609 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)cc1Cl 1924600284 PLXYZIOJHXZFPD-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925585637 POHBTFICLNHVPR-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@@H](Br)CF)c1I 1952036522 IERPGHKUFVEBAB-LURJTMIESA-N 695.874 6.253 50 10 KKGE Fc1cc([C@@H](Br)c2csc(Br)c2Br)c(F)cc1Br 2032958586 HSJRLTLSSINXJA-SECBINFHSA-N 525.832 6.798 50 10 KKGE C[C@@H]1CCc2c(sc3nc(C(C#N)=Cc4cc(Br)c(O)c(Br)c4)nc(O)c23)C1 2042445839 BBZYSWDNSPWNLK-SECBINFHSA-N 521.234 5.816 50 10 KKGE FC(F)(F)c1ccccc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079242511 ZBWDTVSYVRMJML-UHFFFAOYSA-N 513.017 5.469 50 10 KKGE CC(C)(C)c1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(O)c1 2079260866 QIAAXKVGIHWQTN-UHFFFAOYSA-N 503.100 5.394 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)c(Cl)c2)c1Br 2138848001 CDVFUTZQCCWGGD-CQSZACIVSA-N 532.295 7.420 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2182022430 RZGLFBAQWBAKLJ-WXLWJSHRSA-N 521.418 6.673 50 10 KKGE O=S1(=O)C[C@@H]2[C@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206398774 YTIXMZUOAXZLGL-UMAXCYLZSA-N 616.789 5.463 50 10 KKGE Brc1ccc([C@@H](Br)Cc2nc3ccccc3o2)c(I)c1 2207269999 YVNGAHDOVJMIIT-NSHDSACASA-N 506.963 5.874 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccccc1OCc1ccccc1 2218598660 UUFNHZATDIGPIH-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Cc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1I 2229153616 OLFJBIVZHLLMKG-CYBMUJFWSA-N 514.426 6.694 50 10 KKGE Cn1ncc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)c1I 2263513926 UUGKZVWSDZGAPI-NSHDSACASA-N 504.391 5.072 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1scc(Br)c1Cl 2272723758 INTSTIPVCYMXPB-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCC[C@H]2CC3)c1Br 2273335034 SHRNDWXKTZOLQC-HNWMMTHTSA-N 580.778 7.753 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288377688 ZKXNMQCNOXHICF-JTQLQIEISA-N 537.822 5.953 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc(I)cc2)cc1 2296647271 BECIBVDSQUDNFX-UHFFFAOYSA-N 567.427 5.391 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)oc1Br 2299503580 GYBFFWXNGAATDB-GOSISDBHSA-N 515.039 7.176 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1sc(Cl)cc1I 2301081099 LESCATLVMDNBPN-MRVPVSSYSA-N 510.420 5.295 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592063 LCNMGWKGMPZVKT-AREMUKBSSA-N 550.511 7.490 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 2314618993 XXAFNKMDHVRJMQ-UHFFFAOYSA-N 543.627 5.824 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 2314737874 AIKPABHLORTEGA-UHFFFAOYSA-N 516.808 7.484 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 2316178216 MRWHGXWAQXIXAD-NSHDSACASA-N 537.962 7.534 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Br)cc1 2318454457 YBKVTTKOYDMVSU-UHFFFAOYSA-N 501.428 5.202 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)NN=Cc2cccc3[nH]ccc23)cc1 2321698209 MGPJUYUSHJEJDK-NRFANRHFSA-N 510.638 6.585 50 10 KKGE Cc1cc2sc([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)cc2s1 2336081868 VTGSRIMJRFTTQT-OAQYLSRUSA-N 508.300 8.097 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220862 QUKRGUPXOJNMAA-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(F)cc1Br 2365215128 HLDPEDRGGJAEMC-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)N/N=C/C=C/c1ccccc1 2614512 QYJPTXSIUMAATG-ZONNGXQDSA-N 500.649 5.438 50 10 KKGE C/C(C[C@@H]1C[C@H](CC#N)C1(C)C)=N/NC(=O)CN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 8398643 KBXRZCKYAOFMGW-SOHLCBDPSA-N 573.698 5.415 50 10 KKGE COc1c(Br)cc(C=NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1Br 8448781 IYRFTBFWIPQFBG-DLBZAZTESA-N 508.254 5.772 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686529 GYDXQHVOZDWRRH-SSEXGKCCSA-N 522.532 5.607 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5F)ccc43)c2)cc1 38686662 IEKWPEZRWRRISU-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 40912383 VRSZADOYVRHFNB-LGJNPRDNSA-N 503.780 5.219 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 100173341 WUVYZODIGHDDOE-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCc3ccccc3Cl)cc2)cc1 100283600 FETQOFQMKHKSEC-UHFFFAOYSA-N 537.085 5.158 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244725 FBXCZXMPTGMQJN-MZOFLMDJSA-N 538.456 6.457 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101335306 AKAMXKLYLCMGJJ-MTDXEUNCSA-N 579.056 6.010 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101339632 MWYIHISJCONWMM-JFLMPSFJSA-N 556.622 5.986 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Br)cc1 101363682 IWFJFEWTOJBWNG-NRFANRHFSA-N 526.184 5.649 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101375591 XSUVYGKCYUHVTK-FLASPHMUSA-N 584.713 7.198 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 101376127 CYEJJHFCZPQDAS-WJOKGBTCSA-N 540.660 7.118 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379337 YUUINDPGZHKGTD-XIFFEERXSA-N 581.068 7.245 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385201 IPJOWHHXNRXLKZ-XIFFEERXSA-N 562.622 6.094 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 101388546 GGIILUVPPGNMHL-SSEXGKCCSA-N 598.011 6.663 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101390847 JJYZBLZGEZSPLO-MUUNZHRXSA-N 543.019 7.319 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc4ccccc34)sc2c1 101392355 HVYIYVBFIRVONI-SANMLTNESA-N 523.013 7.454 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393792 NMXTZPANAMVNGE-MUUNZHRXSA-N 524.960 6.578 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 101397249 OHUKFHPDOSSYBH-HKBQPEDESA-N 550.655 7.836 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccc(Cl)cc12 101398831 DMKMERMQQTYGPK-PMERELPUSA-N 580.999 7.550 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 101729941 LJMNRSCUJXGYQD-QHIPFGGWSA-N 548.595 6.099 50 10 KKGE Cc1ccc(N/C(SCC(=O)Nc2ccc(OC(F)F)cc2)=C(\C#N)c2nc3ccccc3s2)cc1 102931117 DSWLZKHMHRXOGJ-GFMRDNFCSA-N 522.602 6.882 50 10 KKGE COc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3I)o2)c([N+](=O)[O-])c1 102933225 GNAGWRZPAYQAFA-RAXLEYEMSA-N 515.263 5.014 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)N/N=C/c1ccccc1 103560613 PXPBCHAXWWHKQQ-WJAYPVQZSA-N 611.530 6.584 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 103742955 INQGJGJCXCAXIJ-SLSCBCEPSA-N 542.875 7.020 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccccc1F 103878961 NHNSLFMMNWIPMR-HZQMBONKSA-N 587.695 8.062 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccco2)cc1 109557461 PQFFQIPRSWLMKU-HKWRFOASSA-N 556.625 5.935 50 10 KKGE ClCCc1nc2cc(I)ccc2n1-c1ccc(Br)cc1Br 116715158 FKKRAOJCDLKQGY-UHFFFAOYSA-N 540.424 5.936 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1Cl 150463834 FJUUDHKXIMRVBK-YTTGMZPUSA-N 679.984 8.851 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 150483461 BJAPVSZUVIXBKQ-MUUNZHRXSA-N 633.940 8.878 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 150498703 RTRYTTMAFDLYSF-DPWJMMOYSA-N 685.880 8.753 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC(=O)c1ccc(OC)cc1 150553938 LZYMZCJJJFESLF-YVLHZVERSA-N 647.809 6.025 50 10 KKGE FC(F)(Br)OC(F)(F)C(F)(F)OOC(F)(F)C(F)(F)C(F)(F)Br 204979567 PCVZJBBLZWMNMY-UHFFFAOYSA-N 507.847 5.298 50 10 KKGE Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205774801 HIYQFLTYJLUGJH-XFAVVLCKSA-N 602.716 5.381 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 208279757 MHNHIGWCUNOEFZ-ISBPOBPSSA-N 578.822 7.136 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)s1 235821425 RZQIPXHIKJQHLE-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)cc1Br 235823494 IZLADRFYMXXQNF-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1 252479998 BRJFCJKBLGFDQV-HEVIKAOCSA-N 724.763 5.693 50 10 KKGE biogenic C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253572267 PZDBXYOBXMDKKA-HNSNBQBZSA-N 604.184 5.456 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254287772 GGVAJLDIZKITQV-VLSGMUSGSA-N 551.603 5.622 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584205 AQLURWHBCUUICR-YAKNRQDCSA-N 710.852 7.267 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616590479 SAHJWPXTHJECLJ-GRIKCTGOSA-N 755.034 6.751 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721586069 IHTJLFGUZHLESP-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(CC2CCCCC2)CC1 725238101 COZZUMABIPKGOM-XMMPIXPASA-N 542.067 5.805 50 10 KKGE Cc1nc(/C(C#N)=C/c2ccc(F)cc2)sc1N=Nc1c(Br)cc(Br)cc1Br 1081822526 ODWHTTOMSPNZFV-CNYBSJPCSA-N 585.094 8.358 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084115699 XDBAUCODRQQGDQ-UHFFFAOYSA-N 603.223 6.218 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1084359667 YEESZYKIHGLWTK-UHFFFAOYSA-N 703.512 6.591 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 1084443143 YPOBPDQCZMRMPB-XMMPIXPASA-N 536.426 5.262 50 10 KKGE O=C(NN=C1c2ccc(Cl)cc2C[C@H]1NC(=O)c1ccc(F)cc1Cl)Nc1cccc(Cl)c1 1088687215 DUFKKFKRPKGOIO-HXUWFJFHSA-N 505.764 5.666 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744337 VRAYATMURJJJGQ-UHFFFAOYSA-N 558.432 6.866 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688650 XWOVJULACGUXEK-MGBGTMOVSA-N 570.693 7.482 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690258 MXXSDDBATUFGGO-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690339 OWIUIWOWFSAKQG-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865690843 CNDPXTSJZHOJNI-SANMLTNESA-N 525.024 6.218 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865692376 LRKMEVDCBZOHAQ-QFIPXVFZSA-N 509.404 5.349 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)cc1 1865693120 LEVJYXLUJJPJKG-MHZLTWQESA-N 506.606 6.074 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OC 1865695781 STSSRTMUXIEOAI-SANMLTNESA-N 526.568 5.372 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865696506 GPRNLKOPNJNSOB-MUUNZHRXSA-N 571.077 6.666 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1c(Cl)cccc1Cl 1865702623 CDRYKMCSRGHARN-SANMLTNESA-N 548.430 6.078 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702628 XWWGUFSAUCMNPC-FQEVSTJZSA-N 501.787 5.657 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703178 PEHPQRHXTHHIPM-MUUNZHRXSA-N 525.052 6.561 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865703262 RVEOVZPVWSPHDA-JGCGQSQUSA-N 568.677 7.352 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034050 QPZKFFLJKFFJKN-FGZHOGPDSA-N 556.486 5.549 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@](C)(CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867222544 ZLBMEOOUFMYWSX-GGXMVOPNSA-N 536.097 6.757 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)CC1 1868342063 JAJDNHADGVVURP-UHFFFAOYSA-N 502.688 5.464 50 10 KKGE C[C@H](c1ccccc1)N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872753998 XRWFBFAWGCHSID-RHXURIFRSA-N 507.615 7.005 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(C(=O)OC)cc3)n2)cc1OCCC 1872817999 HQMWZXVLXXKIBF-QOJMKNSZSA-N 504.608 6.680 50 10 KKGE Brc1cc([C@H](Br)c2cc(I)sn2)sc1Br 1909889453 QLYAZQNLRCIAGM-SSDOTTSWSA-N 543.869 5.819 50 10 KKGE FC(F)(F)COC[C@H](Br)c1c(Br)sc(Br)c1Br 1924583308 IKADJIFBNUNWGQ-VKHMYHEASA-N 525.804 6.051 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1sc(Br)cc1Br 2003561682 XNIUQLYYEWKSSQ-JTQLQIEISA-N 524.297 7.173 50 10 KKGE CCO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2054498091 OUJHUOJTDCPQBZ-OOZYFLPDSA-N 525.926 6.677 50 10 KKGE CC1(F)CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085495358 QHVNYCAZIZIJOB-JTIOZCSCSA-N 528.279 7.155 50 10 KKGE COC1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085496124 VFRIVVHAIMEYEC-WOKRAHDESA-N 526.288 6.442 50 10 KKGE C[C@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085496130 VIIHRVMTSWMPOK-LDWIPMOCSA-N 524.316 7.453 50 10 KKGE Brc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 2148748453 CZNSRDRLEKRXRL-ZDUSSCGKSA-N 572.860 6.235 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2203829794 LOKAUGSHSGLJOE-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2I)c(C)c1Br 2227358026 YMNLHAAVCQZGFG-LBPRGKRZSA-N 562.869 5.651 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)cc1C 2236007295 IRNNHKASOGFTRV-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c1Br 2282906359 AVWBERUKAJYNFH-CQSZACIVSA-N 550.285 7.559 50 10 KKGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc2c1 2293189769 DSTFJYWTZUMIPX-UHFFFAOYSA-N 530.285 7.298 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521421 MVBMKXLDUXKLIU-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 2313567864 MPEHHDSTUMHYIF-UHFFFAOYSA-N 618.225 6.395 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570889 IOVAXLKAUKEQLO-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C 2313676643 NWERCYXIKPHROF-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccccc1 2314433599 PJMUXIGPIQUXLJ-UHFFFAOYSA-N 535.607 7.140 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2314754009 ILLPCOVKDUYEPZ-UHFFFAOYSA-N 511.361 5.827 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)ccc1OCCC(C)C 2314770464 AOWPFWPTNUFFPQ-UHFFFAOYSA-N 514.578 5.555 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2320223134 AJRMQBRCIWVTEN-OOZYFLPDSA-N 523.954 7.544 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 2321683228 HYASPBIPVMAFRX-UHFFFAOYSA-N 506.993 6.536 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331386819 QZUMLGRSERKHHU-WNSKOXEYSA-N 503.580 5.331 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)cc2C1=O 2331404038 UBUYOGXLSNEYJJ-UHFFFAOYSA-N 514.390 5.699 50 10 KKGE CC=C(C1=CCC[C@]12CCc1cccc(NCc3cccc(C)n3)c12)P(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 2333319591 KRTGUWSHWYQWGV-XHIZWQFQSA-N 739.085 13.133 50 10 KKGE Brc1cc(C[C@H]2CCCCCCC[C@H]2Br)ccc1I 2349778852 PEDSBWRDONOPIR-ZIAGYGMSSA-N 500.056 6.720 50 10 KKGE C[C@H](CBr)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349849048 ZLKMKHPPGNITDX-ABAIWWIYSA-N 501.044 5.439 50 10 KKGE Cc1ccc(Oc2c(I)cc(Cl)cc2I)c(CCl)c1Cl 2360548599 FZCJUNOVDCQXJC-UHFFFAOYSA-N 553.392 7.042 50 10 KKGE COc1ccc(CCO[C@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1 2364693831 SAFPGPACKLXXLM-FQEVSTJZSA-N 554.263 5.222 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1I 2366729537 MFDPRIYIFDHXKF-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1csc(Br)c1Br)CCCO2 2369619216 RKKPSDNNBNOMGS-LBPRGKRZSA-N 545.916 6.845 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 1790647 XFMXCNCQBIPHDA-QPQMVVSWSA-N 508.430 6.367 50 10 KKGE C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 8427097 NKMQZJCHXADUFL-DFKUXCBWSA-N 535.710 6.136 50 10 KKGE O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cl)c1ccccc1 35729308 RXCLSIGWZGHOQT-LEWJYISDSA-N 511.434 5.505 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 38604336 DCZBINOAWUUFID-TURZUDJPSA-N 522.649 6.499 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649823 CVQCYFKTMHZYSH-LJAQVGFWSA-N 510.634 6.484 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650948 DUPKAUKDBIBFKL-NDEPHWFRSA-N 519.513 5.611 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38660229 WWNZMCTVYYMVNJ-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38684459 CXFZRXVAZSBOEQ-HHHXNRCGSA-N 518.997 5.948 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 38700647 DYKBMPCNUZUVEV-NDEPHWFRSA-N 508.574 6.584 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCC2 39884918 QAKCZABGIIGRTE-GXDHUFHOSA-N 501.391 6.526 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 58894267 PFCUSDPCZMYGFY-NYFJFQCHSA-N 511.018 5.680 50 10 KKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cc5c(ccc6ccccc65)oc4=O)cs3)o2)c([N+](=O)[O-])c1 101034129 FALWOQHDILPOKM-CPNJWEJPSA-N 531.549 7.611 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244912 GHEHQWYJLQAFKU-WCKLRORHSA-N 509.675 6.746 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101333346 LIVNLMZMRYCOLI-AJBULDERSA-N 591.111 7.554 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 101335936 LRXUJEJXZHMMNG-JBASAIQMSA-N 566.702 6.517 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C2=O)cc1 101340215 IXNURMLDZUTBID-STKMKYKTSA-N 614.746 7.116 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1OC 101366665 UZZREGOAAARUBN-XMMPIXPASA-N 527.360 5.213 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101372230 KMGBHWSBVRJRCN-WENCNXQZSA-N 560.622 6.384 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 101373551 UTFGNWGTTVQKBR-NDEPHWFRSA-N 534.996 5.730 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 101374690 KIUNDJFSFPQTTG-YTTGMZPUSA-N 556.659 6.474 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OCC 101374773 JUEYHFBCWGFSMY-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380257 WBQRNMPKHBZKAK-DTDRWLINSA-N 532.571 6.550 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380622 QUUFIHXRRUGGGE-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383562 PWNQJKGHBRYRJG-WJOKGBTCSA-N 548.614 7.140 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101388638 ZPDIHYZPKPUGML-BHVANESWSA-N 617.101 7.837 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 101391757 FNNJRPSCHKBVBV-NRFANRHFSA-N 538.368 6.554 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101397067 QCTBKEPBDBDQGD-QHCPKHFHSA-N 537.424 7.044 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399284 KGVOMTADHBHABS-FIRIVFDPSA-N 597.023 5.891 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399425 KJRIVRSASVZPML-MGBGTMOVSA-N 604.634 7.522 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c(OC)c1 101634597 YXLTXMZNRJXFRL-FYJGNVAPSA-N 536.378 5.579 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 101726961 WOFMEBVTYNLYLQ-XODNFHPESA-N 528.486 6.938 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Br)c1 101727402 WCYIGSVEJPJMRX-VFLNYLIXSA-N 602.963 7.056 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806588 WZUOXOMUHMEMRT-XKERZDPFSA-N 617.753 6.478 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 103880651 XEBARCNTVSUWQR-IBBHUPRXSA-N 608.286 7.463 50 10 KKGE COC(=O)c1sccc1N/C=C(/C#N)C(=O)c1cccc(CSc2cccc(C(F)(F)F)c2)c1 105392288 SFGKYLIACBKNEV-LGMDPLHJSA-N 502.539 6.548 50 10 KKGE Cc1ccc2c(c1P(c1ccccc1)c1ccccc1)-c1c(ccc(C)c1P(c1ccccc1)c1ccccc1)OCCCCO2 196638317 LWTIZHGRWSKLRR-UHFFFAOYSA-N 636.712 8.038 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1OC 206541348 MBJRHMCEPHCXIS-KQWNVCNZSA-N 562.619 5.040 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc(Br)c(Br)s1 236030376 BPRXQKSZGIBXED-JTQLQIEISA-N 524.297 7.126 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 236083965 GQLGZUAVRXUQNE-CQSZACIVSA-N 528.409 6.126 50 10 KKGE C=CCOc1ccc(Br)cc1C=NNC(=O)COc1cc(C)c(Br)cc1C(C)C 252638682 YEICKPSCQZNDHJ-UHFFFAOYSA-N 524.253 5.737 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2c(Br)cc(Br)c(O)c2Br)c(Br)c1 254348895 GYMFLGQZVKLIGX-UHFFFAOYSA-N 678.795 6.042 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1 254763825 HMBCWAFJPHZAKL-LJQANCHMSA-N 591.686 5.146 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1 254817330 SOYNPBZPEDGPPW-UHFFFAOYSA-N 524.617 6.419 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2ccc(Br)c(Cl)c2)C1 382688985 OUKFFXAAAGBAIU-NEPJUHHUSA-N 500.602 5.488 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)s2)C1 382733954 VYSCJBYEEGVLML-KGLIPLIRSA-N 506.203 5.298 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2ccc3c(c2-c2c(P(c4ccc(C)cc4)c4ccc(C)cc4)ccc4ccccc24)=C[CH-][CH-]C=3)cc1 575348889 BDELTKLVKWAXJV-UHFFFAOYSA-N 678.796 8.240 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616584644 AQLURWHBCUUICR-YLHRZELJSA-N 710.852 7.267 50 10 KKGE COc1ccc(N2CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)cc1 725237879 OEXSJJTXOWIBEN-XMMPIXPASA-N 552.018 5.437 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817646 WUUPISRMPWBNRI-HGCDIPFQSA-N 744.913 6.611 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1083938467 SOJNIIRROVLDMJ-FQEVSTJZSA-N 532.482 5.861 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084028640 QVHCRLCBUTWDLZ-UHFFFAOYSA-N 598.124 6.726 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)cc1C 1084041852 JNINPLIJOMBTPT-GOSISDBHSA-N 518.908 6.758 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084091511 YCGIVEUJJGQPBG-UHFFFAOYSA-N 652.169 5.989 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084111544 YWLQKPHLAKPVKS-UHFFFAOYSA-N 524.600 5.326 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 1084116028 NQOGLUPBLMTHBJ-JOCHJYFZSA-N 531.834 5.654 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 1084123452 HZFBUAUIOSIODE-UHFFFAOYSA-N 507.575 6.065 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2I)cc1 1084134830 XTZOLOPXAOLOOA-QHCPKHFHSA-N 607.286 5.905 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1cccc2ccccc12 1084146320 KOALRYJCYSIASH-UDWIEESQSA-N 526.374 5.417 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)c1cc2cc(Br)ccc2o1 1084170498 XJOPJKOOPJLKPH-UHFFFAOYSA-N 528.200 6.301 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 1084312679 MJBFEWAEWWSLQZ-NDEPHWFRSA-N 514.582 5.269 50 10 KKGE Cc1nnc(SCc2ccc(C(=O)NN=Cc3cc(Br)ccc3OCc3cccc(F)c3)cc2)s1 1084399725 KRTYCIQNOKWRKG-UHFFFAOYSA-N 571.497 6.383 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084476519 WOZRXEWGKDEQKM-DEOSSOPVSA-N 590.858 5.952 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653267 FTNRTOHMGSYHAL-WAMDLWKASA-N 552.483 6.306 50 10 KKGE C/C(=N\NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525943 IPBAMSANICPAIX-ZWQJIQRASA-N 783.929 7.509 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc(C)c1Cl 1772745113 REFLNYZIHYQPNR-UHFFFAOYSA-N 529.818 6.310 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1cccc(Br)c1 1865684539 RNFHOJKUSACQHW-QFIPXVFZSA-N 501.359 5.718 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 1865688839 CGYYDUGPBFCOSI-MHZLTWQESA-N 565.432 6.492 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865688936 FXNLQKLFRHHQJA-INIZCTEOSA-N 555.738 5.298 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865693576 PDOGOBCULFDBAB-VWLOTQADSA-N 524.577 5.182 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865695261 AUNKYJNPKUFBNP-LJAQVGFWSA-N 550.659 6.403 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697623 YIHILUGWQPUEQL-LJAQVGFWSA-N 555.078 6.386 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701101 LWCYMGBFFFKWBI-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701179 ONBZWMCTDMRZSS-VWLOTQADSA-N 507.034 5.951 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702605 BXGUWFRLCLIJDG-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703765 FHTSMECMTSBNDV-LJAQVGFWSA-N 519.004 6.785 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705169 NWPALVQHBMWGFS-LJAQVGFWSA-N 572.596 6.183 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C(C)(C)C)n1 1868342201 NQAJTJCNTLYBIH-LJAQVGFWSA-N 521.690 7.252 50 10 KKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1)CC3 1868413572 AZQGCWDLPOYREU-UHFFFAOYSA-N 521.049 7.665 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415260 VYLZYSVXAIHVAR-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3Cc4cc(OC)c(OC)cc4C(C)(C)C3)n2)c1 1868506520 XUCYMCPVZLZATK-UHFFFAOYSA-N 553.688 6.784 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(CCCOC)[C@@H](C)C3)n2)cc1 1868528346 RABODACTPPSQPU-VXKWHMMOSA-N 532.714 5.795 50 10 KKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n1)[C@@H]2C 1868544816 LGIGYKNZRZLHFB-OAQYLSRUSA-N 535.717 7.890 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 1872752014 ZOIANAGRFOLJKZ-OLIJMITPSA-N 503.451 7.683 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1Cl 1872756569 QACJFWCQOVJVQE-JXAWBTAJSA-N 518.378 5.352 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 1872793114 IUKLVMHNJFXDHL-NCELDCMTSA-N 510.659 8.634 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cccc(I)c2)c1Br 1922933593 XOJYBRQGBGSZAF-SNVBAGLBSA-N 506.428 6.514 50 10 KKGE Cl[C@H](c1sccc1Br)c1c(Br)sc(Br)c1Br 1924580581 SVEMDKXRTWUSJI-LURJTMIESA-N 530.326 7.188 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924589849 GCBSJNMUMWNEEP-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2025779181 DKRIHFBPUJZYMZ-QWMRMABFSA-N 575.158 7.190 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@H]2CC[C@H]12 2025779715 KSQXQUFSYUEPBE-OBEXGGKMSA-N 508.273 6.673 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CCl)c1Cl)Cc1ccccc1 2034751715 OVDHQICLUNFECD-UHFFFAOYSA-N 511.902 6.055 50 10 KKGE CC(C)c1cccc(C(C)C)c1-c1ccccc1[C@H](CP(c1ccccc1)c1ccccc1)N[S@@](=O)C(C)(C)C 2080751578 RUXRACBSTFDZFD-OMGNGIFRSA-N 569.795 8.826 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12 2080764133 SRAPNYODFICLFE-DKFWVONXSA-N 565.675 6.468 50 10 KKGE CC(C)(CCF)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493775 GWCYUWJZSBTRSX-LLVKDONJSA-N 530.295 7.402 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc2c(cc1Br)OCC2 2169660150 ABVPFEFAJWANRE-HNNXBMFYSA-N 511.954 5.612 50 10 KKGE FC1(F)CCCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406436 ZWAYDCZCAFJDDQ-SREIQFSDSA-N 560.296 7.842 50 10 KKGE Brc1ccc([C@H](Br)Cc2ccc3c(c2)CCO3)c(I)c1 2207265656 UMOLYBRDTYHCBB-CQSZACIVSA-N 507.991 5.667 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Cl)s1 2233017433 CBLBCDIBIFGRTA-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1C[C@@H]1CC1(Br)Br 2233041050 RXDCTQDPTYYDKB-BQBZGAKWSA-N 505.863 6.258 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cccc(Br)c2Br)c(F)c1Br 2236107690 HMPQAODSTIZWEQ-LLVKDONJSA-N 537.793 6.876 50 10 KKGE COc1ccc([C@@H](Br)c2csc(I)c2)cc1I 2248886005 MLXNDCDSBYBQDO-GFCCVEGCSA-N 534.982 5.450 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1I 2256339819 XVTAZYMECNJILD-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2scc(Br)c2Cl)c(Cl)c1Cl 2264609392 KWWQBORJCIGFDW-JTQLQIEISA-N 504.285 8.215 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(Br)cc2Cl)c1Br 2267747800 AKKFWCVCQHGWNX-JTQLQIEISA-N 556.314 7.621 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Cl)cc1I 2269546344 SISFRIDCZULJOM-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE Cl[C@@H](c1ccc2scnc2c1)c1c(Br)sc(Br)c1Br 2278611854 TWJVDINYAIMYLN-JTQLQIEISA-N 502.478 6.974 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198490 ZXUGSNWEWQWCGG-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE N#CC(=Cc1ccc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1)c1nc(-c2ccc(F)cc2)cs1 2297466751 IQPQCPADHKVDID-UHFFFAOYSA-N 534.616 8.340 50 10 KKGE CC(=O)NC[C@H](I)CC(C)=C1O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 2297470819 KGBSGBJFEOXATN-ASNAHRCUSA-N 623.616 6.746 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521516 TWEQCQFAQPJDFQ-UHFFFAOYSA-N 583.382 6.031 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592177 NHOPXVDPVHGMFG-NDEPHWFRSA-N 509.675 6.800 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592651 ZMRFMZWFZPUGGD-VWLOTQADSA-N 501.583 5.462 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592667 ZVPOGLDVDJDJNU-MHZLTWQESA-N 511.647 6.192 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592745 AZAZRLJPJOVCAZ-CJAUYULYSA-N 550.511 6.859 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618307 LBPRXVIDFOVPIH-HSZRJFAPSA-N 528.612 6.210 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634767 IIHIOIKUDHYJJQ-UMSFTDKQSA-N 580.725 7.789 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634832 RTVXIILUMXXMOL-WJOKGBTCSA-N 559.062 7.145 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@@H](C)C2 2314646686 JGBZEPIDRFFBBZ-MUAVYFROSA-N 630.726 5.088 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OCC)c1 2314736026 PFTXCYNXBHKNBU-UHFFFAOYSA-N 513.590 5.866 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CC[C@@H]2C2CC2)c1Br 2319489591 MULRDDVWGDAUMK-DJLDLDEBSA-N 521.938 7.298 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)CC1=O 2331350734 PJGOIFNFBDOHCZ-HXUWFJFHSA-N 515.679 6.833 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336079421 GETHXMFYAMJGDA-FQEVSTJZSA-N 563.486 8.067 50 10 KKGE Fc1ccc([C@H](CI)OCc2ccc(Cl)cc2I)cc1 2365636693 WRZYEIIJZASPRX-HNNXBMFYSA-N 516.519 5.777 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)C(c1ccccc1)c1ccccc1 9779679 WERYHGWSYVOKIC-UHFFFAOYSA-N 508.199 5.114 50 10 KKGE N#C/C(=C/c1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1)c1nc(-c2cccs2)cs1 33636079 NDHDBTSGIRSGBK-UHWBUFEVSA-N 510.694 8.185 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(Cl)cc1 59463004 JCPOBSFYNPCIFV-AMVVHIIESA-N 513.859 6.976 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C 100186681 SHAOSNISPRNTET-UHFFFAOYSA-N 556.910 5.085 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCc4ccccc4)c(Br)c3)cc2)cc1 100212140 AFTSFHWXHSOSQF-UHFFFAOYSA-N 614.540 6.695 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 100231954 XEIDXRPSEXKSIL-XZJBEKIMSA-N 545.861 6.044 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235580 WOZRXEWGKDEQKM-HQYUJTHISA-N 590.858 5.952 50 10 KKGE N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C\c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3 100455834 JWWQZKQLMZYFMN-AEUUOICLSA-N 603.660 6.768 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C2=O)cc1 101339988 VANSBOAKYSUHCU-FDAWAROLSA-N 572.665 6.436 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 101340287 XAWNJFMCWGYHGK-HYARGMPZSA-N 507.373 6.097 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101367838 GTVBNRADNSBSPN-UKPGIYTDSA-N 556.659 6.589 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101368152 RMPHCDWJYUSIBO-GHRAFVERSA-N 570.686 6.979 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)c1 101376107 UXQGSKVMFHLNDW-PTRALIJHSA-N 536.672 7.246 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382796 FDBMGERWGGKZHL-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383593 LQRCTBNBPFBHKF-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385921 LAXYVWRANICZPL-RIPCNWKXSA-N 625.121 7.642 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386222 RYYOPZZTKOHHDN-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)c1 101389099 FRTPCVWAFQHWLG-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc2ccccc12 101392367 WBNOYLJLDAJDRT-XMMPIXPASA-N 577.876 8.452 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Br)cc3)CCC4)ccc21 101595162 UQHVVXXJJCXDIH-JGRMKTMXSA-N 583.486 7.201 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)Cc3coc5c(C)c(C)ccc35)CCC4)ccc21 101619618 LVHUULDBUOQXMA-HXPUERGNSA-N 586.692 7.730 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 102666307 JEIQRXOVKBANRQ-QPSWJSTDSA-N 524.429 6.067 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 102780481 UVQPJLAXEDGLPE-FREGXXQWSA-N 557.131 6.043 50 10 KKGE COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1 103123865 YDOPXVCGXGZBAK-WQRHYEAKSA-N 531.918 5.864 50 10 KKGE Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 108013529 BMQWOPBIFHVHBA-UHFFFAOYSA-N 512.549 6.605 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1I 150478076 AUUUGPIEIGWWLK-LICLKQGHSA-N 732.097 6.625 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150482954 NSCMIDJIDSBHAY-HHHXNRCGSA-N 668.385 9.531 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)oc12 205778274 KGMDNFHSJBQIMU-XOTBCMANSA-N 630.682 5.211 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)C34CC5CC(CC(C5)C3)C4)=C2N2CCOCC2)cc1 245285811 YPKSXDINKYNPFS-OBVVDIBPSA-N 516.730 5.615 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1ccc(Cl)cc1Cl 245312376 IWKQBAICKJGERX-UHFFFAOYSA-N 512.440 7.823 50 10 KKGE CCCCOc1ccc(-c2cc(C(=O)NN=C(/C=C\c3ccc4c(c3)OCO4)c3ccc(OC)cc3)c3ccccc3n2)cc1 252620716 MKLYJUKXGJVEGU-MSVBHHONSA-N 599.687 7.666 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(Br)c1 252624580 PREQOAQAYGOWRX-UHFFFAOYSA-N 546.215 5.268 50 10 KKGE O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1cccc(I)c1 252637807 XWOJVRMBILJFKZ-UHFFFAOYSA-N 585.239 6.550 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)OCOC 253387340 CNYVTLHDXDAIRZ-BUIMZMAKSA-N 570.975 10.414 50 10 KKGE Cc1c(C=NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c2ccccn2c1C(=O)c1ccc(F)cc1 254439895 FDYOAITYJZOLRF-UHFFFAOYSA-N 535.604 6.091 50 10 KKGE COc1cc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Br 254506649 WRSJMXWDIALJAE-RUZDIDTESA-N 569.455 6.133 50 10 KKGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 254617461 STMSXQNZELMHSF-UHFFFAOYSA-N 515.610 5.371 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2)cc1 254790102 DWWMSKMEXQNJNA-UHFFFAOYSA-N 519.630 5.852 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019921 MSLDSYOMFXXMDZ-OJHZGXPISA-N 960.028 10.536 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024841 HJVZUVSIRAKMNI-VKWMFHOBSA-N 784.887 14.392 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)sc3Br)c(Br)cc2N1 380006878 CICVXDBPLXATPP-GFCCVEGCSA-N 544.888 6.015 50 10 KKGE CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]32C)CN1C(=O)CI 504643153 RWFLLQUFBKGYBI-WSEDPZTJSA-N 513.504 6.188 50 10 KKGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232573 NMNGXZIYPJHWNQ-CVNLXEOKSA-N 793.786 6.704 50 10 KKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616680096 LSJGPRHZSOWXTF-MHZLTWQESA-N 510.795 6.723 50 10 KKGE ClCc1nc2c(Br)cccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705869867 RHIKFSRGASLNRJ-UHFFFAOYSA-N 510.863 6.009 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725430569 WXCPAYOFHCHCQY-UHFFFAOYSA-N 609.546 5.519 50 10 KKGE CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1Cc1cc(Cl)ccc1Cl 1081127813 DOGPLDKBOOYRRC-PDGQHHTCSA-N 556.902 8.239 50 10 KKGE COc1cc(/C=C\C(=O)Cl)cc(I)c1OCc1cccc(Br)c1 1081475873 DVCGJZUFEDSYID-WAYWQWQTSA-N 507.549 5.420 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 1083917512 WBZSGBNUKSLKOK-UHFFFAOYSA-N 518.194 6.845 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(F)c1 1083977388 PUWURMKZRWRLHE-UHFFFAOYSA-N 612.499 7.706 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)c1 1084033653 ZXLWWGHGMUEDAW-GRSHGNNSSA-N 585.252 6.861 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084038899 LIKUMDCLQGKBHH-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Br)cc1 1084303227 YEQAXVGECZHATC-UHFFFAOYSA-N 552.925 7.566 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl 1084303327 NYMSMVZMBDNALN-LICLKQGHSA-N 536.242 7.824 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084337313 RHSHYLYDSCQKGC-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 1084387951 YFILAXSVKJHRLG-UHFFFAOYSA-N 542.617 5.453 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1084387982 NJCUYPWFRRERRT-UHFFFAOYSA-N 640.161 7.087 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2ccccc2[C@@H](C)CC)cc1 1084512078 FLKVGYDHAASNGI-ZEQRLZLVSA-N 542.680 5.772 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1cccs1)CCC2 1772748798 GGOKTHDBDWBDQZ-UHFFFAOYSA-N 524.396 5.650 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749157 XNTBZVWDQOQOKC-UHFFFAOYSA-N 568.244 5.747 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865687879 CIXXIQWIZZRTBS-QFIPXVFZSA-N 563.839 6.278 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OCC 1865689312 PGBCOGATOCBFGO-AREMUKBSSA-N 543.023 6.217 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865691110 JLLBVCBLTKENHO-IBGZPJMESA-N 571.438 6.506 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)c1 1865692978 HABOARTUSMNWPH-AREMUKBSSA-N 545.014 6.406 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc(Br)c1OC(C)C 1865696913 LIVGXVPOPUSPJU-QFIPXVFZSA-N 509.404 5.016 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697784 BTABBJITTFYFAJ-JOCHJYFZSA-N 541.421 5.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703149 OCLBIZWOXHBMDQ-NDEPHWFRSA-N 579.459 6.882 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703315 SXLKBYUJSSHGPZ-LJAQVGFWSA-N 539.079 6.951 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1C 1865705238 PFJBGONKDHOANI-JGCGQSQUSA-N 556.666 7.092 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)c1OCc1cccc(C)c1 1865705928 JNMGMFMVTOXONA-RUZDIDTESA-N 560.576 6.373 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707180 QBIINZNKQXZFDQ-HHHXNRCGSA-N 522.605 5.459 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2csc(COc3ccccc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866595334 UMPZFBNGMKHUOY-MHZLTWQESA-N 586.695 5.129 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866749094 PHLROSMFHNITQH-SXOMAYOGSA-N 535.710 6.585 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)CC2 1868301156 MGTIFCIVEUMWGU-WJOKGBTCSA-N 551.716 7.546 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)n2)cc1 1868528354 RFVUUFSHIJWGFQ-UHFFFAOYSA-N 575.698 6.303 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)c1 1872744067 GEHWLDKEAKSCPK-GFMRDNFCSA-N 513.962 6.223 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(I)ccc1Br 1902314004 FNQHHJCUKWFOJA-INIZCTEOSA-N 610.068 5.289 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2cccc(Br)c2)c1Br 1922898507 VYPURLWUJVEBMP-JTQLQIEISA-N 517.906 7.023 50 10 KKGE CC(C)Oc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923071401 ITMPEIZURDFWFK-LLVKDONJSA-N 503.481 7.198 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)c(F)c1F 1924571144 OZSGWDFBKSQXBP-ZCFIWIBFSA-N 517.361 6.920 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc(F)c1F 1924600569 ROXRTWGKJWBLFH-SSDOTTSWSA-N 543.822 6.937 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2scc(Br)c2Br)c1Cl 1925618438 PXGYGDDVIDZESO-YFKPBYRVSA-N 520.320 7.779 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 1995047689 NXPUQEINEJXUIO-DMTCNVIQSA-N 540.669 5.703 50 10 KKGE ClC1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2025783185 MRSIJNCJQLSTIQ-PACJAATDSA-N 575.158 7.190 50 10 KKGE COc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1Br 2072063853 VZERWCLDRQQJEC-NSHDSACASA-N 519.878 6.529 50 10 KKGE Brc1ccc(CC[C@H](Br)c2ccccc2Br)c(Br)c1 2113442196 OVCRYBOJXMNVMW-AWEZNQCLSA-N 511.877 7.043 50 10 KKGE CCC[C@H](Br)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121064401 OZFCSWSGIQGURO-QMMMGPOBSA-N 563.857 5.633 50 10 KKGE Cl[C@@H](CC[C@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2141469992 YDSGKZSNIZEUPR-XVKPBYJWSA-N 540.315 6.833 50 10 KKGE COc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 2202901978 KIXFFOQQDOZMCP-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2Br)cc1Cl 2203689960 ZCPRCJOPTQSSHL-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccccc2I)s1 2224782537 NXHAXQYRHGRQAL-CYBMUJFWSA-N 516.036 6.136 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)c(C)c1Br 2227357254 VDQIZAZGRGSAEL-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE C[C@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CC1(Br)Br 2233037807 DCRUHZZBGBORDT-NKWVEPMBSA-N 505.863 6.258 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1OCc1ccccc1 2272732585 ITKHNVVKEPTBBD-GOSISDBHSA-N 547.031 7.553 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C[C@@H](C)O1 2296544446 GRCHLKQVNWMTCX-SZPZYZBQSA-N 581.723 6.011 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314441440 YSFOMDMEJZLEEV-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)Cc2ccccc2Br)c1 2314452898 RJMZUFOVSDRBAO-FQEVSTJZSA-N 525.078 7.469 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3F)nc12 2314531458 BDQKAXNDYXTUHU-UHFFFAOYSA-N 508.431 5.499 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593957 WNQWNTMHTCHGRW-HHHXNRCGSA-N 511.647 5.561 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314616653 GKKMTSCCXMYUDC-UHFFFAOYSA-N 603.591 5.367 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1OC 2314751149 SVZACLOBFDYXOE-UHFFFAOYSA-N 594.664 6.246 50 10 KKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 2314754277 OKIMIMFGRAJEIG-UHFFFAOYSA-N 517.965 6.016 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 2314770503 DVDBLYZUKBYUPF-UHFFFAOYSA-N 523.383 5.373 50 10 KKGE Cc1nc(-c2cnccn2)sc1C(=O)NN=Cc1c(C(C)C)nc2c(Cl)cc(C(F)(F)F)cn12 2321238973 CMGNIXIQJGVREU-UHFFFAOYSA-N 507.929 5.116 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1cccc(Cl)c1 2328799899 NCOBYWRNGGQPPU-QHCPKHFHSA-N 504.027 5.317 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c2ccccc2)cc1OC 2331339193 ODBJINZQGRPVNW-UHFFFAOYSA-N 516.622 8.014 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 2331345711 TTXWGCSHDQRBRR-DEOSSOPVSA-N 515.679 7.001 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331459107 MOJSOKKSBDPFJO-UHFFFAOYSA-N 525.388 7.548 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336043879 JFKSLNFUKOIKKC-OAQYLSRUSA-N 543.068 7.722 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2336075357 ORDZCRVBXAOMIY-NRFANRHFSA-N 559.523 8.237 50 10 KKGE CC1(C)CCN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2349838452 ZXQQZESULXXRHB-GFCCVEGCSA-N 501.044 5.297 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360493622 RDBBGAYWKBYUGR-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE COc1c(C)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 2362868777 HLUNBEPNPRSZBU-JTQLQIEISA-N 523.899 7.334 50 10 KKGE COc1ccc(C[C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2364192495 KRPCZACAAODOTK-OAQYLSRUSA-N 510.653 7.322 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1888965 RXIZPUGXHCUJJP-VECHRTTRSA-N 540.447 5.918 50 10 KKGE COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9695896 WVRLRCCCIAGVLQ-UHFFFAOYSA-N 524.415 5.082 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1 38684703 HOAFHSCUYFRBMG-GDLZYMKVSA-N 512.606 6.338 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813528 UMHORVQJCOJQNQ-UQRQXUALSA-N 509.562 5.275 50 10 KKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815463 GJFGXZSQWQRQSU-JJNGWGCYSA-N 505.618 6.391 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 58887943 YDZCTGOFHWGLLA-SLLOZXFSSA-N 501.410 5.935 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)ccc1OC(C)C 97914872 OMMGSRBUBVRMAY-HHHXNRCGSA-N 535.512 6.284 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206113 KPJPOIMQLPPXGZ-OAHLLOKOSA-N 552.252 5.606 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207499 BQBLIHWDDFSDPM-LJQANCHMSA-N 584.536 5.299 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 100327263 YWMNCCIOBRFVFA-HSMHNTNPSA-N 623.285 5.605 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 100327817 HVXHAHVJBMCNDQ-WHXCVRPHSA-N 578.834 5.496 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)cc(Br)c1OCc1ccccc1 100328601 UJXUVKZPUCNBNA-LGJNPRDNSA-N 548.231 5.328 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 101036747 KGDFRHSEZFYXBZ-VWLOTQADSA-N 537.069 7.982 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243818 KNSDZINBJQCOPW-IIXITYHRSA-N 511.647 5.697 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243992 REQONEPKGBBMIU-RUNFUFMRSA-N 566.510 6.696 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245110 FLIJXCCUVDGFRO-GOHCDNDPSA-N 538.456 6.375 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101337433 BLGNNPHZFFOXLN-UJUJBVAOSA-N 544.611 5.910 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101339635 IYRJHFHSWFPERJ-STBIYBPSSA-N 564.601 6.214 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101367627 PJSZDFVMDUPVAR-NDEPHWFRSA-N 579.447 5.839 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)cc(C)c5)ccc43)cc2)cc1 101378811 LGVGRPCQIADEII-XIFFEERXSA-N 546.623 6.393 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1F 101386939 CVOPUSOUWXIQGB-BHVANESWSA-N 612.657 7.369 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1Cl 101390048 QOAIIGIFHLLOMH-SANMLTNESA-N 537.443 7.343 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)oc2ccc(Br)cc12 101391344 INDJPXDRBZBVIM-QHCPKHFHSA-N 580.232 6.704 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1Cl 101392213 MIRRGKAUCIRXRV-RUZDIDTESA-N 555.414 6.237 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3cccc(C)c3)C(=O)C(C#N)=C2C)cc1C 102395719 BJSQUUDFZKDYJQ-CEUNXORHSA-N 540.623 6.518 50 10 KKGE N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102623627 HLROJPHTRMAHCP-LTGZKZEYSA-N 540.069 8.634 50 10 KKGE C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 103627795 CEHAIYCQCHAOBX-JOBSNELWSA-N 532.232 5.708 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 108618071 DLHQCAPZLSQUHH-OQLLNIDSSA-N 571.315 6.141 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 150382981 SIEKEPWMKCNDQJ-OADPBGPJSA-N 674.704 6.092 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@@H](C)C2 150411239 JGBZEPIDRFFBBZ-UBOAEPQHSA-N 630.726 5.088 50 10 KKGE BrC[C@H](Br)CN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 164609174 YNQQRINKWJPEBR-BMQZVHBQSA-N 648.906 6.560 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cccs1 207996970 ONXJXGXHUDUMBF-RBISFHTESA-N 598.165 6.630 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214406388 KBSNKYWIQNUZNX-YSMPRRRNSA-N 577.572 5.778 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(I)c1)c1ccccc1Br 252628708 SWAJTQNBLXFEHK-UHFFFAOYSA-N 548.178 5.070 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCCC)c3ccccc32)c2ccccc21 253618410 NNDRYBQQJXJGIF-UHFFFAOYSA-N 600.764 5.442 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccccc1F 254391516 GWBPPANORMXRPY-QGZVFWFLSA-N 509.010 5.303 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1O 254528222 RWVCXUZFLNIAPX-UHFFFAOYSA-N 515.639 5.188 50 10 KKGE Br[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 309690521 CTKLYOLUBMYRCT-UPYFENACSA-N 589.526 7.037 50 10 KKGE CC(C)[C@H](CBr)COc1c(I)cc(Cl)cc1I 384147788 OZVHJYWVXSRUJF-MRVPVSSYSA-N 543.408 5.595 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Cl)cc(Cl)c2O)C1 394801934 UPXMNIXNLKHECZ-CZUORRHYSA-N 506.167 5.486 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)cc1 1083889638 DCOYKMKFWDLZNF-VWLOTQADSA-N 681.365 6.394 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 1084008977 BVXRZYXVRDMYCV-SSEXGKCCSA-N 587.543 6.395 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc(C)c1 1084117586 YDKRDAKKLIQJGY-UHFFFAOYSA-N 608.536 7.875 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084151334 JVADWJZFZZLSPL-RUZDIDTESA-N 647.466 5.540 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)cc1 1084169819 YKMSTJXBBQUGAX-UHFFFAOYSA-N 625.194 7.524 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084182412 BMZXFPYZEXRSMJ-UHFFFAOYSA-N 575.119 5.647 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084236517 YCGDAQCXDXUHFX-GIDUJCDVSA-N 536.198 7.154 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3cccc(I)c3)c2C)cc1 1084262579 BIMZAKPNYCPMDB-XMMPIXPASA-N 545.421 5.061 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccc(Br)c3)cc2)c2ccc(C)cc2)cc1Br 1084636118 WKGWUBCRGXHMSY-UHFFFAOYSA-N 685.438 7.078 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1 1084641201 STZIPJJSWSUCMI-DEOSSOPVSA-N 702.302 5.977 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1c(Cl)cc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357913 VFDALDNQPHZBLC-HWVRSYARSA-N 589.760 6.565 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(F)c(C(F)(F)F)c2)C1 1614628713 YTNCSSMHNVMVAD-HZPDHXFCSA-N 507.265 5.632 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C(Br)=C/c2ccccc2)cc1OC 1614988807 WPZGRCTZODFGQB-NWOKAXDXSA-N 534.410 5.013 50 10 KKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 1772743626 HAWKPNXJRRZGDU-UHFFFAOYSA-N 532.394 5.897 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748676 MTFIDXYPFGIDEZ-UHFFFAOYSA-N 599.485 5.414 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865689023 IAYFMOJCDKUNGY-QFIPXVFZSA-N 547.384 5.432 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OCC 1865690935 FKFPMAPQNGUCBR-NDEPHWFRSA-N 554.622 6.152 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccccc1 1865692399 BFMMBTFCUZGNQQ-HSZRJFAPSA-N 533.510 5.482 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865695746 HAIZRMCMVLXSFV-JOCHJYFZSA-N 530.522 5.885 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)ccc1OC(C)C 1865696931 LLSNNVQYGSWXNS-HXUWFJFHSA-N 518.923 5.618 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700646 AEWMFYPIKJVZCP-MUUNZHRXSA-N 541.051 6.343 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865701855 GVVFIHWJSYVPHI-MHZLTWQESA-N 523.612 5.810 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865702896 HVAJEQJSBULYBE-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1OCc1cccc(C)c1 1865705867 HWOLQRFHFKJQAE-SANMLTNESA-N 574.603 6.681 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706637 BLZOPAJVZRMJDB-LJAQVGFWSA-N 521.640 6.268 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707303 SWQOZFXBXFIYEB-WJOKGBTCSA-N 531.704 6.745 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711402 XOLLIAOZXSELRB-HSZRJFAPSA-N 571.386 7.151 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)c2ccccc2)cc1 1867005279 KSUYKRMARYJUJO-IZZNHLLZSA-N 504.055 6.683 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1F 1872752666 NIFMLAIUWIGOLG-KTXUMSRNSA-N 509.584 5.168 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 1872780982 QOLYUVUHFUNJCF-XDHOZWIPSA-N 513.457 7.223 50 10 KKGE CCCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1872793833 WBHMSTZYGCWMTC-LPYMAVHISA-N 525.512 8.221 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)nc1Br 1923039734 QKNJALRKPIHXEO-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(CCOC3)C2)c1Br 1924571218 PVTSEGZIQWKBTI-XMDDQKSNSA-N 523.910 6.288 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 1924611759 FKRPLBOLZCZPDJ-FXQIFTODSA-N 507.911 6.908 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Cl 1925568741 LZFLJJAQFKEOBQ-YFKPBYRVSA-N 520.320 7.779 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cn(C)nc2Br)c1Br 2005277156 CBOYOJDJOGFDIB-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1I 2053623130 GNBBBZINAHJOCA-UHFFFAOYSA-N 514.750 6.069 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2082865306 DZMKDYOTHDUJGP-SFHVURJKSA-N 502.655 7.236 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Br 2085493602 DPTTXGXNYMYKQC-WPOIXZHQSA-N 569.755 6.171 50 10 KKGE Fc1c(Cl)cccc1C[C@@H](Br)c1ccc(I)c(Br)c1 2113466993 YXHADWLESAHQMQ-SNVBAGLBSA-N 518.389 6.525 50 10 KKGE Fc1ccc(C[C@H](Br)c2ccc(Br)cc2I)c(F)c1 2142278844 IRVSIBJTZXSJPI-LBPRGKRZSA-N 501.934 6.011 50 10 KKGE COc1cc(F)c([C@H](Br)Cc2ccccc2I)cc1Br 2202904468 RZPKEKIWNJQTJN-LLVKDONJSA-N 513.970 5.880 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206397307 HUKDNBKFBALTHK-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(F)cc2I)c1C 2218790896 PHTHMIMMNRMQLV-NSHDSACASA-N 504.000 6.355 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277888469 KBGDTGCXEVDLRU-GFCCVEGCSA-N 531.933 7.331 50 10 KKGE COC(=O)c1ccc(C=C(C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 2297497507 CVAOJRARWABWFN-UHFFFAOYSA-N 506.008 6.628 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313567754 ODYQWJGVKUTSPB-UHFFFAOYSA-N 615.355 6.989 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(I)cc1 2313568698 XYGOKPWRSLITHM-UHFFFAOYSA-N 705.334 5.739 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570968 KJOJIKSKYXPQQD-UHFFFAOYSA-N 561.650 7.406 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314450467 ZQNIZPWOXTYJBV-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591778 DSQPNDZSABNUQG-VWLOTQADSA-N 550.511 7.490 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592198 NSTRNVHQNFRPTM-MUUNZHRXSA-N 525.674 6.446 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592530 WTDPHGMCOAXLNH-VWLOTQADSA-N 546.490 6.439 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314592585 YERNDPZRLLALDK-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593004 FSDNPWHYYARIMZ-MUUNZHRXSA-N 525.674 5.780 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594053 YGYCKROSYOMMHW-XMMPIXPASA-N 539.579 6.164 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 2314610595 JSKPSSQKFXIIFL-UHFFFAOYSA-N 512.585 5.858 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314617775 ALJCOHJTMQZGHW-UHFFFAOYSA-N 593.083 6.400 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314618552 PLAIUCCWLUVSKI-FQEVSTJZSA-N 527.584 5.050 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314618912 WNVASWKCVVHYOC-AHKZPQOWSA-N 645.785 6.313 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314640746 VIXQFKNEPVRYDF-GDLZYMKVSA-N 515.009 6.746 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643210 HWDTYHNDTQESQV-YTTGMZPUSA-N 583.015 6.904 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)c(OC)c1 2331473050 CQJIRMQPZNXFDM-UHFFFAOYSA-N 515.429 6.450 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc(Cl)s2)cs1 2331485134 UTHQJYZRONBKGW-UHFFFAOYSA-N 503.863 8.475 50 10 KKGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333240175 ZDMMWLUQPVUZQI-MPQUPPDSSA-N 781.819 6.118 50 10 KKGE CCCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 2333303384 AUTANRWMKOGRQM-DDZXGWPLSA-N 583.782 6.561 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1O[C@H]2CC[C@H]1C2 2352547514 DLZIAFUFWWPCRR-UQIHICMWSA-N 538.299 6.584 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 2364225721 BAEOPKIPWZUCGQ-YFKPBYRVSA-N 561.841 6.272 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2ccc(I)c(Br)c2)c1 2366901606 BCKAHFXSVGNEGI-AWEZNQCLSA-N 504.420 7.273 50 10 KKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)s1 2369641021 VTHBVGUGQMAUMB-CYBMUJFWSA-N 545.916 6.845 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1scc(Br)c1Br 2380934763 MTMKDAOECSDVOJ-AWEZNQCLSA-N 501.509 7.796 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2ccccc2)c(Br)c1 14649967 YJKWWKIQNXUCMR-UHFFFAOYSA-N 511.416 5.166 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14669641 COPWYSQLWQCWFQ-UHFFFAOYSA-N 511.416 5.034 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 33779829 XMJWKGKIPVBLOR-IVYNLYIOSA-N 512.393 6.197 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc(C)c1Cl 38657860 GSSSIQKUVDKELP-NDEPHWFRSA-N 510.977 6.313 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1 38678849 UWVOEVRUVNIUBX-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686530 GYDXQHVOZDWRRH-PMERELPUSA-N 522.532 5.607 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 39858848 DNRBKKFSDXJGSU-ATVHPVEESA-N 505.361 5.956 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39992837 IJDSPJSFWRPDIN-QGOAFFKASA-N 504.468 5.668 50 10 KKGE O=C(NNc1ncnc(Nc2cccc(Cl)c2Cl)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40646726 QUNBZOOGOWFXNZ-UHFFFAOYSA-N 509.353 5.710 50 10 KKGE O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 48573416 WXCSWRCZUUVGDZ-KBVAKVRCSA-N 505.401 6.915 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3C(C)(C)C)cc2)cc1 100210339 LIYAFUNFPROWOL-UHFFFAOYSA-N 580.523 6.136 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 100327866 PAVYMSIPJBEIQA-WGJSBGIVSA-N 613.279 6.150 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101334930 CJGLDOXABPJIDU-WGOQTCKBSA-N 559.582 5.639 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1OC 101338488 JSCYUQNZGQQILE-BUVRLJJBSA-N 508.578 5.091 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368340 MMXZLYZVLLMCMM-JGCGQSQUSA-N 570.686 7.126 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccccc1Br 101370169 KIORJAQBDMSOHU-NRFANRHFSA-N 526.184 5.649 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101372271 JFBGBHOFFCBFMS-WJOKGBTCSA-N 577.077 6.819 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373906 VQFVNDWONNWVNI-MHZLTWQESA-N 553.442 7.008 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 101376377 GONNATMBEANKNV-HKBQPEDESA-N 540.660 6.756 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385338 RZFXRAMAYYHAFX-XIFFEERXSA-N 576.649 6.809 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385488 IZRUBHBAWFFDSZ-UMSFTDKQSA-N 590.676 7.199 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386475 CSIRKEZHZBFAAI-HKBQPEDESA-N 553.014 6.294 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101386996 WOVPLVLSTFGXSQ-PMERELPUSA-N 552.558 5.859 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc1OC 101702195 MBJRHMCEPHCXIS-XQNSMLJCSA-N 562.619 5.040 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc(Br)c1OCc1ccccc1F 103563113 FIBLJVGESYGFDV-MHDJOFBISA-N 594.412 6.331 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)NC4CCCCC4)c3C)sc3c2CCCC3)cc1 103867369 DIKRIMXKPQJXBR-HKOYGPOVSA-N 540.733 6.951 50 10 KKGE COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1Cl 103880145 KXWSJOSGMHIJON-HNSNBQBZSA-N 538.003 6.917 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1 150383023 OYNVYZYPHRDNKH-QYJQOTDOSA-N 640.259 5.439 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 150428611 ZXZQVNKFLACNID-XSKYCKKESA-N 635.309 6.061 50 10 KKGE O=C(CSc1nc2cc(Cl)ccc2[nH]1)NNC(=O)c1ccc2cc(C(=O)NNC(=O)CSc3nc4cc(Cl)ccc4[nH]3)ccc2c1 150431046 KQEQYOXHWPFCCE-UHFFFAOYSA-N 693.598 5.006 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(\Nc1ccc(Cl)cc1)S[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 150602767 XPDIVESZJKZUCZ-LZHZFTAVSA-N 697.398 8.563 50 10 KKGE Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)c(C[C@H](Br)CBr)cc12 159448349 PBWZQTZTKXSZOZ-AZGAKELHSA-N 671.382 6.554 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)CCC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 201290235 OGJHIJRQMFHSCP-ODVSXGBMSA-N 785.163 13.456 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 205668642 PRGIPHMHSYPLJN-FRRGEQHVSA-N 562.597 6.559 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)cc1 205780158 IESLQBGWIPJRTP-RWGCQLDOSA-N 662.768 5.499 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 214363146 RASSICPJBYJAET-USHMODERSA-N 534.660 6.562 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 214376363 KRZZOIIOAIQASU-YUMHPJSZSA-N 529.556 5.548 50 10 KKGE CCOc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(Br)c1 233801907 BNUZDVXWBJNPCY-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(Br)ccc1I 236038061 JQAZZJAULAQKKX-JTQLQIEISA-N 571.297 6.968 50 10 KKGE COc1ccccc1N(CC(=O)NN=C(C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 252618123 LEGADZXQKKKUPB-UHFFFAOYSA-N 507.656 5.037 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(OC)c2OC)cc1 252619355 LODWWOCRQHVHPM-HWSWJTIKSA-N 535.044 5.125 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 254292166 OOFWHLIZOGJRRF-UHFFFAOYSA-N 626.562 6.625 50 10 KKGE O=C(COc1ccccc1)NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccc(Br)cc21 254309489 RXWKSLFZVIUHSG-UHFFFAOYSA-N 583.486 5.355 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 254391119 JKDKNFMLNWMPJD-UHFFFAOYSA-N 606.527 5.928 50 10 KKGE COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NN=Cc4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1 254404974 AWLYGXKMJFUCBH-GGXMVOPNSA-N 607.633 6.520 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OC(=O)/C=C/c4ccccc4)cc3)cc2)cc1 254487671 QYTJSOBMOQPXRR-WEANNGIESA-N 539.613 5.179 50 10 KKGE O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 254908645 RMBWHUOXIBRBSV-UHFFFAOYSA-N 502.368 5.384 50 10 KKGE C[C@H](CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 504675972 LMDPTTKBLFEMRC-AWEVSEIISA-N 840.427 14.620 50 10 KKGE in-vitro Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(F)c1Br 691633248 DCEYQGFHJOYBAV-LLVKDONJSA-N 519.803 6.737 50 10 KKGE CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725237501 JBINDLDNIPNTNJ-OAQYLSRUSA-N 560.038 5.596 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725415391 NVBWHMOZQCOXPR-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1 725440274 JWHMIPJGWQOFMF-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE C#C[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)ccc4[C@@H]3CC[C@]21C 1074675063 PNMCQXPTJSJVHG-QFHUTXRJSA-N 596.595 6.910 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc(OC)c3O)cc2)c2ccc(C)cc2)cc1Br 1084010522 PAWHBNQYAAQPJM-UHFFFAOYSA-N 638.540 5.640 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084028719 XAVVNMZTCADQRR-UHFFFAOYSA-N 573.568 7.620 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084190316 LZIFFSKBKINQJA-UHFFFAOYSA-N 583.085 5.631 50 10 KKGE CCOc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Br)cc1 1084216897 OMFSUWBEWGGQTL-UHFFFAOYSA-N 581.692 6.998 50 10 KKGE O=C(NN=Cc1ccccc1Cl)c1ccc(S(=O)(=O)c2ccc(C(=O)NN=Cc3ccccc3Cl)cc2)cc1 1084273349 QJSVWAOHEAENTO-UHFFFAOYSA-N 579.465 5.354 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 1084315433 LQDUULYRCNIEDU-UHFFFAOYSA-N 545.437 5.524 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084339384 MCIAWKOLANSWPX-UHFFFAOYSA-N 557.672 5.318 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084354764 MEURVVFYDQLCHC-UHFFFAOYSA-N 603.959 6.784 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)O 1084420333 SKNUBXCDLUJQCP-UHFFFAOYSA-N 517.969 5.342 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)c1 1084458447 CQIIEYLAMKDFEY-JAIQZWGSSA-N 634.255 6.637 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084465033 SAHKFVQOBJLPSI-VCHYOVAHSA-N 611.150 8.916 50 10 KKGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 1084526422 HDKZIXJXYSJLEH-UHFFFAOYSA-N 533.806 5.471 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1084536869 IUFUIAJNHQIDKL-UHFFFAOYSA-N 576.834 6.338 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1084597863 RYNOLKOEBSOOGR-GDLZYMKVSA-N 560.492 6.400 50 10 KKGE BrC[C@@H](Br)CN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084644925 YNQQRINKWJPEBR-LLVKDONJSA-N 648.906 6.560 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694709 RBFVAVBCUQPENE-GXFFZTMASA-N 534.154 5.853 50 10 KKGE C/C(=N\NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525900 HHOSMAZFOWRETB-CSUCHMHHSA-N 806.967 8.290 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749591 NFZFTLLTAMDDDC-UHFFFAOYSA-N 526.420 5.723 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772751949 NQAYYLMGSKJFFA-UHFFFAOYSA-N 541.604 5.779 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 1772755296 ZUZNPRNMNUPJET-UHFFFAOYSA-N 524.067 6.294 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865694160 VBCZFRHDWZBHNC-MUUNZHRXSA-N 544.611 6.327 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865694540 WYIHNGQOSONXST-HHHXNRCGSA-N 512.997 6.030 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865695834 HUOCUJJDYKVLBC-AREMUKBSSA-N 525.024 6.218 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865696302 YYQKCTVETALVBC-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703007 KNFCIPPIQVOOCO-NDEPHWFRSA-N 575.496 7.246 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OC(=O)c1ccccc1 1865704825 FNHHKEIUUFKRCV-VWLOTQADSA-N 574.559 6.013 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1866128299 IQSDVWNFDWRSRY-XDJHFCHBSA-N 539.009 5.668 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866742855 QCTAMJFZEYOLFV-WDYNHAJCSA-N 513.707 6.879 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(=O)c4cc(C(C)(C)C)ccc43)n2)cc1 1868321032 SKRJAWRBUCHRTP-UHFFFAOYSA-N 519.674 7.791 50 10 KKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744876 MNKLFFDANSUOKY-PGMHBOJBSA-N 503.367 5.812 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)c(C(C)(C)C)c1 1872754660 CUTNEOUGIRZRAC-FXBPSFAMSA-N 515.031 6.658 50 10 KKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922937187 AFYASXXPXGOGJC-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC[C@H]2CCCO2)c1Br 1924582977 DNXQNTLMKPGNSL-RNFRBKRXSA-N 511.899 6.431 50 10 KKGE CCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924583743 OMIMLWNWDRNCOL-SECBINFHSA-N 509.927 7.442 50 10 KKGE FC(F)(F)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924600394 CWJATMMYRPWDHC-MRVPVSSYSA-N 557.849 7.539 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1Br 1924602557 ZAONJDUTWSLIGY-DTHBNOIPSA-N 549.992 8.078 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(I)ccc1F 2050464382 NKDIRHAOSKUFLG-CYBMUJFWSA-N 504.000 6.301 50 10 KKGE COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C[C@H]3O 2054328283 XFDOVQPSOPEMRW-UOUOZPLMSA-N 520.871 7.596 50 10 KKGE COC[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2061294622 ZLVUDGHFFBYBBG-FJXKBIBVSA-N 525.926 6.534 50 10 KKGE Fc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2083094602 DRQWKWTYHBLEOW-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)c1ccc(Br)cc1I 2142287873 GZUDJWHGUOFWDL-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE Clc1cc(C[C@H](CBr)c2cccc(Br)c2)ccc1I 2142940683 PJCHNUDMAWUITG-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Cl 2201608893 SIPYEDMTIBADSZ-LLVKDONJSA-N 556.797 7.123 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2206400899 FJDDDTQCGMGVBY-IGJMFERPSA-N 594.805 7.999 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(I)ccc1F 2206586094 HQISJZWIWLKVLV-CQSZACIVSA-N 513.970 5.994 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)c(C)c1Cl 2224306927 IYAFLQHLFOKCRK-SNVBAGLBSA-N 552.351 7.790 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1 2232223866 TUFYEGISOLZFOJ-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2nc(CC)sc2Br)s1 2233012784 BVYYHJLCEJPFMC-SNVBAGLBSA-N 504.107 6.313 50 10 KKGE BrCCCCCCCOc1c(Br)cc(Br)cc1Br 2263166674 KRPWKXDIQRGEDM-UHFFFAOYSA-N 507.886 6.698 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccc(C)cc2)cc1 2293724470 ARLQGYWPRYIQQJ-UHFFFAOYSA-N 518.042 5.725 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 2295436824 HAJGSUAWHLYOHM-GFCCVEGCSA-N 549.904 6.537 50 10 KKGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)c(Br)o1 2297455309 SCCMNLODXFIADO-UHFFFAOYSA-N 557.242 5.672 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 2313568464 SVNKSGSCYOXYCQ-UHFFFAOYSA-N 620.228 6.329 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4n3C)c(Oc3ccc(Cl)cc3Cl)nc12 2314436817 ISTSXBACWVJQAP-UHFFFAOYSA-N 502.361 6.053 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1Cl 2314500016 JBUFXEIWRMKWBF-HNNXBMFYSA-N 505.037 6.553 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)cc1 2314531721 DLQYGQUVPRCXPV-UHFFFAOYSA-N 522.561 5.080 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592212 NYJUXQMFAMNTFS-RUZDIDTESA-N 501.583 5.598 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593475 NLNKBJGXFOIJJU-GKVSMKOHSA-N 552.483 6.306 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314610712 LKAVZRXNVTVEAM-UHFFFAOYSA-N 626.716 8.064 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314618925 WVXLDOXUYBETDK-UHFFFAOYSA-N 562.601 5.496 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314619586 CABGQOAPEXUSPD-UHFFFAOYSA-N 538.582 6.624 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314620409 PJVUSKFDMXRFOT-UHFFFAOYSA-N 533.411 6.373 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 2314621014 YTLFTFJMANJJSH-UHFFFAOYSA-N 530.603 6.396 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)sc(C)c1-c1ccc(Cl)cc1 2314754395 RBAQBGOFFYSDAG-UHFFFAOYSA-N 525.026 6.507 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ncsc1Br 2317398063 AWEQOBPSEAIGEA-MRVPVSSYSA-N 522.857 6.362 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1O2 2333303655 NVXCNKPVNWZNMG-IXULNIHHSA-N 538.299 6.584 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2340799117 RCVKXDRYMPSGSX-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE C[C@H]1CCCN(Cc2ccc(I)c(Br)c2)[C@H]1CCBr 2349846980 FSUQHVDQRLEXBU-NHYWBVRUSA-N 501.044 5.439 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nn(C)c(Cl)c1Cl 2365221725 WTNSUZYNJNAKGI-QMMMGPOBSA-N 509.826 6.184 50 10 KKGE Cc1cc(Br)c(CBr)c(OCc2c(Br)cccc2Br)c1 2366213731 DVKNVNCTNBZXGA-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE CCN(C[C@](C)(CI)OCc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C 2381380009 KDFIAGGBDWPISJ-SFHVURJKSA-N 501.327 5.673 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1ccco1 8569248 BDRJYNPCLMFWLX-OAQYLSRUSA-N 547.365 5.268 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 12573905 SHIDKNKDHRCODS-UHFFFAOYSA-N 530.694 5.483 50 10 KKGE CCOc1cccc(-c2cc(C(=O)NNC=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3ccccc3n2)c1 38204865 XVHIWURABJFSQS-UHFFFAOYSA-N 523.677 6.947 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1ccc(C(F)(F)F)c(Cl)c1 39884881 SWLDERFBBJWXRD-OQLLNIDSSA-N 502.279 7.366 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(/N=N/c5ccccc5)cc4)c(C)c32)c1 40822340 SOSHQRNTIZUMHZ-PARHTJLUSA-N 521.577 6.735 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)cc(Br)c1OCc1ccccc1 40912387 JXUJJIDMWDNEJN-MUFRIFMGSA-N 525.443 5.863 50 10 KKGE CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59377447 XSKIBWUUZFRAQQ-NDZAJKAJSA-N 514.423 6.560 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100141877 FXCLRXQRYVKQQF-UHFFFAOYSA-N 574.747 6.145 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1Br 100173313 XNYMLHQZKMQZCR-UHFFFAOYSA-N 563.518 5.096 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 100212154 FNFRDLYBICWIRO-UHFFFAOYSA-N 576.285 5.236 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100235325 DMAVOQKGZVIYTK-VROBKZIKSA-N 620.371 7.426 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c1 101013618 AIBZSEQXIXGQMP-CLCOLTQESA-N 567.740 7.024 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 101034086 MTAIWHMPPWWSST-QGOAFFKASA-N 522.914 6.766 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246758 NQDMGFUUAQPVCA-OMBWOSJFSA-N 568.482 6.466 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101336259 ISQWOMDIUQUAPW-UXHLAJHPSA-N 566.702 6.290 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1 101362668 JWFMNJDHCYMCJR-ZHZULCJRSA-N 517.006 7.359 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 101372042 KGSRQAORLKHCEE-MUUNZHRXSA-N 533.024 6.745 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101372119 HPKAHBIVVRZZOJ-XLYKILBFSA-N 559.062 7.145 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 101374062 JZAZHGSZQMBLES-HKBQPEDESA-N 542.632 6.084 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 101374498 GVJSMPYUCKJXKY-HKBQPEDESA-N 558.631 5.865 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 101378323 NYIQQZVOZANEJK-LJAQVGFWSA-N 547.051 6.728 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1C 101381767 RYJUNWGIDYXBJI-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386432 AICMRHGMAPMEHZ-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387852 BGJBXEJSLWKFRW-PGUFJCEWSA-N 604.703 7.445 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101388124 NEQFEKXNTHYWFT-XIFFEERXSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101399707 CCEHETPGLQUZCC-YTTGMZPUSA-N 597.067 7.072 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)C(C)(C)CCl)CC3)c12 103137126 PTUJROURWVVJHT-UHFFFAOYSA-N 535.067 5.158 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccccc3)cc2)c2ccc(C)cc2)cc1Br 103749394 XYMCQCREMVIPLN-WEMUVCOSSA-N 606.542 6.316 50 10 KKGE CCOC(=O)/C(C#N)=C(/Nc1ccc(Cl)cc1)SS/C(Nc1ccc(Cl)cc1)=C(\C#N)C(=O)OCC 108816097 BAHQJQYJGZNYHJ-OLAQIDGISA-N 563.488 6.495 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118920989 VOXJHJRLIGNTTG-QSXBXCQQSA-N 644.722 9.986 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 150430083 ZBMJKCZKEDPGLE-FEGPCZTRSA-N 664.409 5.271 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 161093182 QGZYCLWRPJTGCE-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2)c2ccc(C)cc2)cc1Br 164605244 LWUSYHLBXILICO-FDAWAROLSA-N 637.512 5.834 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)N=[N+]=[N-] 198722054 XIAFYLGSFHUSBQ-PKTNWEFCSA-N 572.040 10.530 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205781164 USZLRIATJVJMDS-BEMCQEHZSA-N 648.741 5.172 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206505170 PGLCNTZUARCJMN-XJVUPUJHSA-N 558.631 6.098 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214255234 XVOIHGNAZZGOQC-OIADIFTFSA-N 522.649 6.355 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 214369273 LIZVPVQVJQJFEI-OFWBYEQRSA-N 616.718 6.489 50 10 KKGE CCOc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(Br)c1 233797296 BNCCVGMXDGSTIO-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=NNC(=O)c3ccncc3)cc2OCC)cc1 252620572 MGZWFCZQMXUEII-UHFFFAOYSA-N 540.060 6.315 50 10 KKGE CCOc1cccc(-c2cc(C(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c3ccccc3n2)c1 252626788 RFPRLVKOJWYDHF-UHFFFAOYSA-N 523.677 7.365 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3sccc3C)nc3sc4c(c3c2=O)CCCC4)cc1 254303089 PTRCYCDXEBDYOZ-UHFFFAOYSA-N 508.694 5.247 50 10 KKGE CC(=NNC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 254305832 RFXGTJQOZYLBSI-UHFFFAOYSA-N 505.199 6.162 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(I)c(OC)c(OC)c2)cc1 254381866 RFTSKIGJOMYSAG-NSTQFBMCSA-N 660.940 5.729 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254450026 WHSGLNKNGZJKFK-UHFFFAOYSA-N 610.917 7.481 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)ccc1OCc1ccccc1 254515018 SYDXQNDKRJMEEZ-UHFFFAOYSA-N 564.667 5.524 50 10 KKGE Cc1cc(C)cc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c1 256019197 OQSHLYQHSRZHCC-JEBQAFNWSA-N 509.076 5.895 50 10 KKGE COc1cc(-c2cc(C(=O)NN=Cc3c(O)ccc4ccccc34)[nH]n2)ccc1OCc1ccc(C)cc1 263630965 LEPANRKLXUZSAF-UHFFFAOYSA-N 506.562 5.595 50 10 KKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312893920 WWEGFQCMZJZMMQ-JQWIXIFHSA-N 515.027 5.222 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232587 OYSKUZDIHNKWLV-NGQFEMKYSA-N 663.406 6.422 50 10 KKGE CC(=O)Oc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 725402021 GXTHBJXMRHXCMB-UHFFFAOYSA-N 576.074 5.733 50 10 KKGE CC[C@@H](Oc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 1081159548 JQMQDQYHIBNCMY-QGZVFWFLSA-N 679.796 5.733 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1083928655 YDXXQGVITDQXJL-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1)S(=O)(=O)c1ccccc1 1083936581 HTEZPKQQAZXZGT-UHFFFAOYSA-N 645.612 7.869 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084005570 FBPOCPYBCJWDGI-UHFFFAOYSA-N 626.960 7.087 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084022937 UHGBXQRIIVWYPO-CYBMUJFWSA-N 537.230 6.135 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 1084389475 VUVPCYRWLGMLRL-XMMPIXPASA-N 718.757 6.491 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Cl)cc1Cl 1084446981 BSRPRZRCYKAKFD-UHFFFAOYSA-N 511.472 7.503 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084479166 DLDUSDXOGQVNBU-UHFFFAOYSA-N 556.579 5.161 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 1772752980 LLIRPXKGTGHZNO-UHFFFAOYSA-N 501.649 5.927 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@H](O)[C@H]([C@H](C)C(C)(C)O[C@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848432557 FZTPBALCQSLXDA-XUDKDNQISA-N 769.218 10.984 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2c(Br)nc3c(O)nc(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848438199 HKBBGSKYLFVAEC-SOUVJXGZSA-N 574.669 5.576 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681759 WEPFXXJQBDYPNO-QFIPXVFZSA-N 521.360 5.484 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684753 XIMMKTVRSIIVDZ-QHCPKHFHSA-N 547.840 6.241 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685686 LLBCYMVSIKNTBA-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865687742 ZGIIXPXBVWUEDF-HKBQPEDESA-N 578.713 7.020 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865688047 HMVRMTLXSSPRSI-NDEPHWFRSA-N 506.606 5.939 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691492 UDGLZYRBGQCSJA-HSZRJFAPSA-N 561.004 6.789 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865691837 CGNNRUIWIMVXDS-XMMPIXPASA-N 567.484 6.002 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865691889 DGMWNGVFFOVKQK-XMMPIXPASA-N 551.485 5.970 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701070 KYZIJFFMNVPNOK-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1 1865705749 DQHIVMGUZQCKAG-QFIPXVFZSA-N 501.905 5.517 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706869 HMJKRWLZUXHQMH-NDEPHWFRSA-N 524.068 6.723 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707077 NCUMIZAFXAEAGH-QFIPXVFZSA-N 535.387 5.787 50 10 KKGE CCC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034533 RVTCYCKLWWRNIG-RTWAWAEBSA-N 542.459 5.159 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867217918 YJJPFXXAOAVYOQ-AREMUKBSSA-N 522.630 5.007 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4cccc(Cl)c4)CC3)n2)cc1 1868320437 KFTUFYRLKPIXMB-UHFFFAOYSA-N 541.124 6.787 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCCc4ccc(N5CCCC5)cc43)n2)cc1 1868320765 NLWQUNOFUXERRV-UHFFFAOYSA-N 518.690 7.453 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 1868320847 POKIAMPAKYQGMT-RUZDIDTESA-N 531.607 8.129 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433409 KZUHHSUAVGIYAM-XMMPIXPASA-N 534.472 7.345 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(n4cnnc4C)CC3)n2)cc1 1868528637 XOVVWQVBDBPRTQ-UHFFFAOYSA-N 512.643 5.601 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)cc1 1868564740 DUYDVMPTVNALHB-UHFFFAOYSA-N 510.623 5.912 50 10 KKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 1872748180 MAOKFHCCDQDNEU-QOCHGBHMSA-N 520.463 6.241 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782948 YOJITXNDCBCBQG-OVVQPSECSA-N 505.042 8.774 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791159 ZFYDBVNLGKFBRS-FYJGNVAPSA-N 521.469 8.467 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(Br)c1OC(C)C 1872794866 AQXYQAHLVBDDNO-MKMNVTDBSA-N 524.267 7.739 50 10 KKGE Cc1cccc(Oc2c(I)cc(Cl)cc2I)c1CCl 1887300732 ZXLIVWJLVSKPKF-UHFFFAOYSA-N 518.947 6.389 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)n(C)n2)c1Br 1922931817 GHIXRLOABIBZLT-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(Br)cc2Br)cc1Cl 1922954560 PKFHAAYXUCXKBL-NSHDSACASA-N 538.324 7.482 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC[C@H]2CCCCO2)c1Br 1924591719 TWDSLLUDEQMRHP-SFYZADRCSA-N 525.926 6.821 50 10 KKGE COc1cc(OC)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924601144 JOBSPJSXHGMNFA-JTQLQIEISA-N 549.904 6.537 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1I 1925561408 OGVZVWYNEAIHJO-SSDOTTSWSA-N 544.836 7.045 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995286484 ULKBIERJCKXBNQ-CYBMUJFWSA-N 551.060 5.870 50 10 KKGE C[C@]12CO[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2025087975 JUEXWECJIYWXID-ONOSFVFSSA-N 509.883 6.041 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CCC23CCC3)c1Br 2047940230 TXTAXNZVVJVJPA-HTQZYQBOSA-N 521.938 7.442 50 10 KKGE N#CC(C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)=C1Nc2ccccc2S1 2053622096 LQRNEOCTFCZYLZ-UHFFFAOYSA-N 578.430 5.612 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cc(I)sn2)c1Br 2085495482 QPQPZZHQFWJHQD-SNVBAGLBSA-N 695.632 7.282 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1csc(Br)c1Br 2093941925 GDWSLVWJLOVZMR-NSHDSACASA-N 533.905 6.919 50 10 KKGE Cn1ncc2cc([C@@H](Cl)c3c(Br)sc(Br)c3Br)sc21 2118612341 XBVCPWQJJBIKBH-MRVPVSSYSA-N 505.482 6.312 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccccc2Br)c1Br 2136377904 AVEJHYIIWDKGPX-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE CCC1(C)CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141470641 IYUHGSDCCLHDJA-MBWFCSIISA-N 538.343 7.843 50 10 KKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471461 RSYPYADODATWFI-XOGFGSHOSA-N 546.269 7.308 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)s1 2142290668 DMIRYXKKPIODAA-LBPRGKRZSA-N 580.905 6.508 50 10 KKGE Cn1ncc(Br)c1CC(CBr)(CBr)c1ccc(Br)cc1 2143635699 VDJVBJFKTWWZJC-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@H](Cl)c1ccccc1 2151788521 JAWGPAQFBQPGCH-GFCCVEGCSA-N 529.397 5.735 50 10 KKGE Brc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(I)c1 2207276030 RSDYCFUNMICVEA-AWEZNQCLSA-N 619.860 6.078 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)ccc2Br)c(C)c1Br 2235606602 CPHDIAXFPZBEII-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198183 FZSOVNQOKWQEOQ-OAQYLSRUSA-N 516.381 5.468 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1 2294619852 BMMMQOZBKNAWSC-UHFFFAOYSA-N 576.672 6.998 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Cl)c(I)c1 2295370136 LZQHBOBOQBGODY-ZDUSSCGKSA-N 550.843 6.853 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521386 KKRJUDXQOXZIMD-UHFFFAOYSA-N 582.119 8.560 50 10 KKGE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(N(CCCl)CCCl)cc1 2313548412 VRESBQIRDDNGJM-UHFFFAOYSA-N 566.529 6.105 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571465 XABQDKSOPYENMJ-UHFFFAOYSA-N 753.987 8.090 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1 2314610454 IMAQZCQIVVBBQV-UHFFFAOYSA-N 564.730 7.671 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646968 XGAXAASEZKKGJE-GDLZYMKVSA-N 630.726 5.329 50 10 KKGE BrCc1cc(Br)ccc1Oc1cc(Br)cc(I)c1 2316846615 BWLMGQNTNKXMHI-UHFFFAOYSA-N 546.822 6.503 50 10 KKGE N#CC(=C(O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 2331344589 YNGLKCDCTHJUKE-UHFFFAOYSA-N 506.515 5.507 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(OC)c1 2331385427 CKQCTFKCIRRUDC-LBPRGKRZSA-N 521.820 6.503 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@H]1CC[C@@H]2O 2333121702 FIAYIYKWRBIBQG-LCPWANFGSA-N 634.601 6.657 50 10 KKGE Clc1ccc(CC[C@H](Br)c2ccc(Br)cc2)c(I)c1 2341049432 YXIKRRYCSZJIKW-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE Cc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1 2360428302 ZYNSZYSGFSFEGQ-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(I)c(Cl)c1 2365220758 XNEREJVGBCXNMU-LBPRGKRZSA-N 597.285 7.401 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1790181 QNNVGRVICDDQTK-FNBPXTNNSA-N 556.844 6.307 50 10 KKGE O=C(CCCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@H]1c1ccc(Br)cc1 6446787 GLSWNFVNELFUFN-QHCPKHFHSA-N 613.737 7.027 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 29503234 GNMYMOCWXZGPRA-KWAZPOIMSA-N 586.739 5.607 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C(C)(C)C)cc1 32519990 FKNLBCNZPBFYKP-MUFRIFMGSA-N 519.692 6.424 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 38659602 FSDAWKMOJQBRAE-PMERELPUSA-N 506.558 5.613 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC(C)C)c(OC)c1 38684259 GAYUNLKTKBVBEU-GDLZYMKVSA-N 528.605 5.956 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 38686707 DXXPMAWVNWXZKA-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701155 XJYBFJYUDTUPNL-MUUNZHRXSA-N 526.564 6.887 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38701399 UEGNXOIWOYXCEC-SANMLTNESA-N 514.965 6.539 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825858 ZBJDJLSFCBEAEW-WEMUVCOSSA-N 510.550 5.036 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100182147 OJZGFBCEOFIPMO-UHFFFAOYSA-N 570.509 5.402 50 10 KKGE Cc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1Br 100212134 IVCVMSPBTRVPHV-UHFFFAOYSA-N 532.232 5.216 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1 100234620 ZDWSLBWXKYADJB-WGNDPNKDSA-N 545.861 6.044 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 100236375 INDVCFSMIZWFCS-FFWKWCQCSA-N 591.502 6.553 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246154 MCDFPYALUGGFGB-FYAMCCBRSA-N 538.456 6.375 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1Cl 101335318 GFDWUUOTUIHGKD-LFVJCYFKSA-N 545.039 5.610 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 101339917 ULUPFDNCWMNFAA-OGLMXYFKSA-N 576.628 6.268 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101375083 LNTUCAGKTHLXDE-YTTGMZPUSA-N 548.639 7.101 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379075 GCSXNSNOABDGNZ-LXOQFAHRSA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379324 FOVJXIMCOJDLMP-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381403 JJHHXWWQBLEFJP-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384697 HOKKCXAGEAMYBN-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(C)cc1 101385505 GFVRCANWQAMKQR-SSEXGKCCSA-N 563.566 5.928 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389580 WOSYMNGTOILETN-PGUFJCEWSA-N 622.693 7.303 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)c(C)c2c1 101393762 PLWAGLYLSJRKQY-HKBQPEDESA-N 542.591 7.533 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399746 QSMSJXIOAGDJHL-XIFFEERXSA-N 621.089 8.118 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC#N 103877341 RBRTUSNGHDGDEW-BIZUNTBRSA-N 604.448 6.122 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 150425833 DIVZWWUVNOURCW-XZJBEKIMSA-N 637.312 5.995 50 10 KKGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 150446197 SHIMDMDQXYGMHV-FYAXVHQVSA-N 812.873 6.508 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150471269 FIDLDJFFCATRGR-NDEPHWFRSA-N 622.302 7.772 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Cl)c(Cl)c1 150586673 XSJSGHLIOVUTCK-OEXXGIJWSA-N 652.366 7.111 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 150650938 QPYJMHIDEUSFNK-FGCUMADESA-N 807.813 7.094 50 10 KKGE in-vitro CCOC(=O)c1nn(-c2ccc(C)cc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2\sc(C(=O)OCC)nn2-c2ccc(C)cc2)s1 164499962 IJGWLSCKEIBZHC-JXPYRENWSA-N 740.958 8.415 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 195914390 RALYOFHHSKCHRY-OHOXDGFMSA-N 662.852 7.227 50 10 KKGE C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1ccccc1)c1ccccc1 195977227 WZKPOPMJOWWSBZ-UHFFFAOYSA-N 583.143 6.101 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214274043 LFGIQFJULOSQSK-MBTHVWNTSA-N 522.649 6.131 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c1 214292281 QUGIPADYMDNYCC-DIBXZPPDSA-N 524.621 5.347 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214324302 RZWACIPTIQOAHT-RBAUZFLXSA-N 564.686 6.044 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214369834 LKFMVMDSVWIPGY-OFWBYEQRSA-N 602.691 6.180 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232345514 LTWIDAJFTBKJKA-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Cc1cc([C@H](Cl)c2cc(Br)ccc2I)sc1Br 235879435 ZLAOUOWNYNWIHG-LLVKDONJSA-N 506.428 6.514 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C[C@@]2(O)C=C[C@@H](C)[C@@H](CC[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 248167779 PNTVVZJLRPNFKC-IBLUAQKHSA-N 550.853 6.810 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 254759129 LCTHWRUZJDHNIR-UHFFFAOYSA-N 538.600 5.964 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 263631492 PWDYSWOHHTYNHG-UHFFFAOYSA-N 537.701 6.182 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@@H](O)[C@]2(O)CO[C@@H]3[C@@H]2[C@]1(C)C(=O)[C@H](OC(C)=O)C1=C(C)[C@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c2ccccc2)c2ccccc2)C[C@]3(O)C1(C)C 575417815 VKGIGHDRYWQPEZ-MZMNTZHUSA-N 936.301 7.359 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585754 FAGFLKDXAVYVFV-ZEEZOPKCSA-N 672.973 7.366 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 616626053 PPFHNIVPOLWPCF-ZPAWYTMASA-N 541.071 6.075 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 719573160 HCTCUZCCKJLTQV-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccccc1Cl 725379979 OHUKPVYNERCTFP-UHFFFAOYSA-N 599.650 6.059 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 725413382 GQMMIXCQZCXZKU-UHFFFAOYSA-N 633.941 6.028 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Cl 725420199 COYLPEZZWDBDSU-RGVLZGJSSA-N 572.830 6.695 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](O)C=CC=C(C)C2 888086892 KVEGDZGBBWHXMS-YVLFPEOYSA-N 981.584 5.188 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 1083938445 MIJBQGHNHFJNJT-VCHYOVAHSA-N 556.800 6.534 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1083995782 SWQMRLVWSBLHFM-UHFFFAOYSA-N 779.992 7.510 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1C#N 1084006250 RNAIJJKUTIHAMO-JJFYIABZSA-N 516.395 6.071 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1C 1084163552 YIHZHSXZSYPVKB-UHFFFAOYSA-N 544.677 5.420 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1 1084193577 NEJVUSOPJPUXFO-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1 1084536194 MEQSWHWHOFMEAT-NDEPHWFRSA-N 516.638 5.755 50 10 KKGE Cc1ccc(S(=O)(=O)NCCC(=O)NN=c2cc(-c3ccccc3)c3cc4c(cc3o2)OC2(CCCCC2)CC4)cc1 1565518354 AQPUMQNHSVOAOU-UHFFFAOYSA-N 585.726 5.737 50 10 KKGE O=C(O)c1ccccc1C(=O)NN=Cc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 1772742833 PKCDXOCLNAPMQC-UHFFFAOYSA-N 509.747 5.175 50 10 KKGE CCOc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1O 1772756508 GKFBPQMXMKBVPS-UHFFFAOYSA-N 534.632 5.115 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@H](SC)[C@@H]1O 1776009744 ZGCNMHQDCCSXMS-LAWAEWESSA-N 663.406 6.422 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865682513 QLKPXWRGQHWVRZ-VWLOTQADSA-N 529.471 7.421 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc(Br)c1O 1865688667 YCEKAJCVSRQWRU-MRXNPFEDSA-N 555.738 5.629 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865691005 GZXADILQPIGYEB-QFIPXVFZSA-N 509.404 5.267 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865691721 ZKZPPQVZWLYQTL-YTTGMZPUSA-N 570.693 7.878 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OC 1865694859 DIKFPICYFNURHK-LJAQVGFWSA-N 544.611 6.327 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865695303 BHTQEPUQZOAXBR-AREMUKBSSA-N 504.606 5.819 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865695348 NVGHCTUZTMNQDZ-HHHXNRCGSA-N 512.997 5.948 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OC 1865695355 NVVFGAZATOIFOL-AREMUKBSSA-N 543.023 5.886 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)c1O 1865696870 SNDLIZMSINVSSR-JOCHJYFZSA-N 529.394 5.543 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704258 RJQRMMKZBFSLKF-AREMUKBSSA-N 551.861 6.997 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704638 AORIWUKIXZFRBT-AREMUKBSSA-N 575.452 6.247 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711864 JOHJBLCQNJFSGH-GDLZYMKVSA-N 545.042 7.049 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712489 ZZHIBNXOMDEETL-VWLOTQADSA-N 544.995 5.445 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866651945 DWEGAKTXHZCMJL-SANMLTNESA-N 510.619 5.440 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866754550 IJWQXXZCISXUNB-FTJBHMTQSA-N 506.071 6.409 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1868342569 WLJIJTXTOHSGES-GDLZYMKVSA-N 535.673 6.972 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868413607 BUWRGGIEYHFYOM-VWLOTQADSA-N 539.064 6.060 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cc(Br)c(OCc4ccccc4)c(OC)c3)nc2c1 1872728689 OAOQWIOOWBSCBR-VXLYETTFSA-N 546.377 5.536 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751426 HKGJZDYHIWZRJG-QJOMJCCJSA-N 519.916 6.492 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914614287 VPEUBBBQXZSLSV-GFCCVEGCSA-N 537.033 5.480 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924608198 FHQVPYPMUCESJE-ZETCQYMHSA-N 556.314 7.460 50 10 KKGE CCn1cc([C@H](Br)c2c(Br)sc(Br)c2Br)nc1Br 1924608585 KOQFQAHGGLAYDK-LURJTMIESA-N 586.767 6.499 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)sc1Br 2003649505 KVHKKKCXESWNMQ-JTQLQIEISA-N 510.391 6.345 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(Cl)c(Br)s1 2003649652 MHENDDXEXKBKCO-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Brc1ccccc1[C@H](CI)OCCOCCOCc1ccccc1 2007814196 KXZOYTSQTFQZKC-IBGZPJMESA-N 505.190 5.175 50 10 KKGE N#CC(=Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(F)c2)c(Cl)c1 2040465329 JEQVXCVNVUEHFD-UHFFFAOYSA-N 524.861 5.988 50 10 KKGE CC1(C)OCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2066882471 BWLWSYIOZALITH-HTRCEHHLSA-N 525.926 6.677 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](c1ccccc1)c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2 2080751173 LJVIRCGVEIEVNU-IVUOSGLUSA-N 515.615 5.315 50 10 KKGE C[C@@H]1CO[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085492792 RQCOEROYPQCQMD-MVISFBTESA-N 526.288 6.442 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2092330912 OOJBMQNNPUCMLQ-ZDUSSCGKSA-N 576.746 7.529 50 10 KKGE BrCc1ccc(OCc2cc(Br)ccc2Br)c(Br)c1 2118518588 AFIFBGGJTUWPRS-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2141468917 PEFUFHSINIYNPB-JTQLQIEISA-N 645.607 6.717 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2181744237 AIJSDGOYCLUSQK-NJYVYQBISA-N 517.802 5.831 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(I)c(C)c1 2207112181 WMMQIILCRRJLHG-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Cc1sc([C@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1C 2253506732 ZJRZRHIOAUNFSM-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 2294815162 QBQILPGPOHKOEN-LSXRLUOMSA-N 538.257 8.458 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2295258371 JBGQNFJHKTXQNX-ZETCQYMHSA-N 533.454 7.753 50 10 KKGE CS(=O)(=O)c1sccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295343081 ROLOYAGTFODAKX-LBPRGKRZSA-N 503.075 5.355 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1csc(Br)c1Br 2295370903 SVEGXMOCVFXNDI-JTQLQIEISA-N 568.350 7.490 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(C=Cc4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 2297413537 WUMPMFXIFJDDFE-WJOKGBTCSA-N 500.602 6.480 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)cc1 2313518792 SXVAFFUSKDPLQD-UHFFFAOYSA-N 552.412 6.431 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(F)cc1 2313568150 SGEIRHNOSMSGQY-UHFFFAOYSA-N 564.455 5.822 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568391 VLULLXBJZGUTNN-UHFFFAOYSA-N 561.867 5.809 50 10 KKGE CC(NNC(=O)C(c1ccccc1)c1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313683196 UITDXYKXCNUQDV-UHFFFAOYSA-N 543.652 5.774 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592731 APSQMMHCTOPYDK-RUZDIDTESA-N 502.039 5.645 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 2314617092 QNOQKGJZHJNSRN-UHFFFAOYSA-N 574.593 5.078 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314618830 VBBYFMHEWOJJBD-UHFFFAOYSA-N 546.627 6.350 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2316180495 RKSGCDHYJKVRDN-SNVBAGLBSA-N 537.962 7.534 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)nc(O)c2cc1OC 2331042683 XBEBVCUOAZNLNT-UHFFFAOYSA-N 503.942 5.658 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCc3ccc(OCC)c(OC)c3)n2)cc1 2331346060 VUUBHXZHGGBRCN-UHFFFAOYSA-N 520.695 7.992 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccccc2OCc2ccc(Cl)cc2)n1 2331461074 HJMITTUHDGYNKZ-UHFFFAOYSA-N 515.078 8.413 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Cl)c(I)c1 2360437874 TYDIESVKAFYAFN-LLVKDONJSA-N 573.252 7.637 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Cl)cc1I 2365599221 VBRAVKCAYSBCJK-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 8451645 DOMYLHNAUXKQCZ-UHFFFAOYSA-N 543.204 6.717 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14768601 YDSWVMWJTIKXEM-NDEPHWFRSA-N 507.590 5.533 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C 20293761 JLXHPTFEWYXLTP-CJLVFECKSA-N 522.008 5.687 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 35446100 MPKMYZFJVCORGE-ULJHMMPZSA-N 527.024 5.831 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)cc1 35446165 DIRDPEWVCZARNM-ONUIUJJFSA-N 514.585 6.243 50 10 KKGE CCC[C@H](C)c1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378729 IIIZGCPQGMCEMZ-KRWDZBQOSA-N 501.050 5.080 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38660070 AHOUCNDEUKTILR-MHZLTWQESA-N 500.551 5.320 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 38681681 RBZIQSSOCHSGSO-MHZLTWQESA-N 518.997 5.948 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)c1 38701154 PCVVJJBDTYNQTM-LJAQVGFWSA-N 522.601 7.056 50 10 KKGE COc1ccc(Br)c(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 48572626 YDFXADMGIRNFNY-RPPGKUMJSA-N 508.199 6.107 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C(=O)O)cc1 58895148 HBHDFSWIHNTFGM-VGBOAXCZSA-N 516.594 5.055 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174822 NZHMDMDUCPZRBV-AWEZNQCLSA-N 538.225 5.417 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1 100233962 BIMZAKPNYCPMDB-YMCFUUGVSA-N 545.421 5.061 50 10 KKGE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1 101115746 AAKAYDWPAJFQBP-UYRXBGFRSA-N 529.394 5.720 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)c1 101115912 GXNMPTRJTQCYGM-UYRXBGFRSA-N 529.394 5.720 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101336591 NHBGMGHCWJZFON-CVKSISIWSA-N 502.574 5.850 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101337121 OCQAUOQRZADHNS-RPFADYPDSA-N 570.649 5.890 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C2=O)cc1OC 101339283 METWOBZVBDZUFQ-AJBULDERSA-N 616.718 6.487 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 101339663 XBEUZYAYNDRVNS-JFLMPSFJSA-N 542.595 5.677 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 101340786 KFCMHTIRFLWHJE-AFUMVMLFSA-N 536.994 6.433 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367469 MYKLYBCBXOYOLQ-UMSFTDKQSA-N 590.676 6.774 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101367752 AMLNVHQXJMYASM-JMQGSBJISA-N 532.568 5.604 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 101378411 MKGJBSIDSJAKOX-MGBGTMOVSA-N 544.651 7.211 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)ccc1Cl 101380428 UTSAVYNQPNXNRU-HKBQPEDESA-N 571.004 6.569 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1C 101383857 WAGFJXHJDHFOEZ-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)c1 101389100 FRTPCVWAFQHWLG-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101395169 CIYLDCHBJLPUDU-DEOSSOPVSA-N 559.372 5.728 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2c1 101398009 HLBWVOBRVKBEKS-YTTGMZPUSA-N 625.508 8.627 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613410 WORIRDSTDJAJOC-IUMTWJJXSA-N 535.619 6.846 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 101652212 PKWMBIJSSQOWGF-UAUZOSSZSA-N 570.088 8.934 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C(\CNC(=O)c2ccccc2Br)c2ccccc2)C1 102040879 GAPUBADJNGRSLI-ZIBPCXBESA-N 583.571 5.689 50 10 KKGE C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Cl)cc1 102116746 VJZVBFNUYUMQGK-SREVYHEPSA-N 556.706 5.786 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC 103649706 KUCGOCUWAFKBBD-STZFKDTASA-N 554.510 7.010 50 10 KKGE CC[C@@H](C(C)C)[C@H](Br)[C@@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 140453662 WPYNWAGYMPPHHC-FCDRMUJRSA-N 614.547 9.342 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccccc1Cl 150442086 PWRRBLNHCMIFIM-UUWRZZSWSA-N 635.116 8.427 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150471086 PTIICWWTQSTIBP-MUUNZHRXSA-N 622.302 7.772 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485352 AKPDSCOMOHFXIT-WJOKGBTCSA-N 637.903 7.437 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)CCCCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 150645716 YGXSMAPZHDYNGM-VDSHAQKISA-N 808.480 6.828 50 10 KKGE CCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC)OCCC 196988739 GUXGHBVABOZQRZ-UHFFFAOYSA-N 652.458 8.605 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 197919960 TXHGERUPFAWKNX-QOZJWMIWSA-N 583.282 7.235 50 10 KKGE CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 199845290 XAOQVMRJPZGRCX-ZVFYLXQQSA-N 710.074 8.461 50 10 KKGE in-vitro CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205657628 IIHIOIKUDHYJJQ-CDHZXLRLSA-N 580.725 7.789 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1OC 206541435 VFMNZPBWHCWEDX-QFVADWCQSA-N 546.620 5.802 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc3noc(-c4ccccc4)c3c2)sc2c1CC[C@@H](CC)C2 209400197 WOOOWSGYIJTNCC-MKYLKIGJSA-N 525.630 6.794 50 10 KKGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1 252640255 YSCMVKKEGYGMTB-NDEPHWFRSA-N 628.513 5.130 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1 254481748 KOZMDZPFGQVUDL-UHFFFAOYSA-N 520.430 7.338 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(Cl)cc1 254683050 ORZAHRVPYHKTRE-KRWDZBQOSA-N 616.916 5.768 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254703833 RQZJYBWYKKPZDX-UHFFFAOYSA-N 527.650 5.481 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)sc2c1CC[C@H](C)C2 254867927 HGLRGVLUGNVIGR-IBGZPJMESA-N 613.692 5.519 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)COc1cccc(C(F)(F)F)c1 256009279 WOAZYHLGNODOFU-YGGPAPDLSA-N 666.809 8.875 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019931 MUQIWWZCIJTIOK-GHBVHVRQSA-N 624.366 5.815 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)c(F)c2)C1 382700388 NXENQPSEEFPWAJ-HZPDHXFCSA-N 518.164 5.375 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 504431653 VWNYSLBEKMNLIZ-ZLNRFVROSA-N 601.022 7.170 50 10 KKGE CC(C)[Si](Oc1ccc([C@](C)(O)c2ccsc2)c(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C 725239806 DENPZDGYCSLXQO-SSEXGKCCSA-N 548.982 10.113 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1083892689 OBXWQSCHFWBSBK-UHFFFAOYSA-N 555.035 5.283 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 1083926489 SAAQWROZORVPRM-SANMLTNESA-N 521.455 6.029 50 10 KKGE CC(=O)Nc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084141201 ZKCXPPWOBOVOIN-UHFFFAOYSA-N 529.644 6.583 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)NN=Cc1cccn1-c1ccccc1 1084154083 QITMQTZVEOGDCU-UHFFFAOYSA-N 528.204 5.080 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 1084232545 OQWCCGPQWZVGOJ-WJOKGBTCSA-N 578.510 7.538 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084249347 XDJGGPSJJJXWGJ-UHFFFAOYSA-N 632.975 9.155 50 10 KKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084276369 DFIWMZVINDDCPX-JGBIIJINSA-N 543.736 8.101 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl 1084279311 JHFVPMMOUGUWBI-UHFFFAOYSA-N 513.775 6.200 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)cc1 1084298879 LTYAUXPMKSOVMB-UHFFFAOYSA-N 503.577 6.935 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 1084312685 NPEQISXEBKBSEP-HSZRJFAPSA-N 511.416 5.391 50 10 KKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)c1ccccc1 1084317147 SMXWHMBVRLFSFR-XMMPIXPASA-N 537.685 6.140 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Cl 1084343133 ROEJAZDWXDUGLL-UHFFFAOYSA-N 530.355 5.358 50 10 KKGE CCN(CC)c1c(C=NNC(=O)CCCSc2nc3ccccc3s2)c(C)nn1-c1ccccc1 1084485417 RWZGGWCOXPABEN-UHFFFAOYSA-N 506.701 5.659 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@H]2CO[C@@H](c3ccc(CO)cc3)O[C@]21C 1088231728 HLUVLXBNVXJZAL-WVBWOMQXSA-N 558.791 6.980 50 10 KKGE C/C(=N\NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615527121 ZYMCRPCXFFKKBN-QZRQCQCCSA-N 713.835 6.991 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](F)[C@H](n2ccc(=N)nc2O)O[C@@]1(CCl)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1615773748 KECWVZJKGKVMCV-REKFDVGBSA-N 646.352 5.880 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(Br)c1 1772755802 FFGAKBPIKVAGPQ-UHFFFAOYSA-N 560.286 6.272 50 10 KKGE C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848432633 DIMYHZDULFSWLS-NOGGCDFVSA-N 641.142 11.150 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848703405 JTGHSJQVBHQKPC-XHCOGNRYSA-N 700.725 12.051 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690483 SMAXVUPYFPRORQ-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690559 UWRVYKSEONSOBY-SANMLTNESA-N 561.469 7.252 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cc(Br)ccc1O 1865696675 PYVJYXYXPWORBO-IBGZPJMESA-N 527.300 5.731 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)c1OCc1cccc(C)c1 1865704629 AKDMAWRNVNDZKF-MHZLTWQESA-N 561.469 6.661 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704801 FCUSBQYQFMROOP-XMMPIXPASA-N 562.413 5.582 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCC(=O)N(CC)CC 1865707295 SRTLYHKAFXWFNF-LJAQVGFWSA-N 563.658 5.403 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711057 OTDKKVHEHIMEIA-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](Cc2ccncc2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866696217 UVYCEIIVSRNZGI-LOYHVIPDSA-N 564.667 5.273 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@H](CSCc4ccccc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866883096 DRMHALRPRKHWRQ-MUUNZHRXSA-N 578.719 7.047 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)C[C@H](c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1 1867143428 MBJPMIWWQIFCGV-XRKRLSELSA-N 570.512 7.040 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1 1872751960 JACWTGXXDQVVAA-GYXJVLCKSA-N 511.828 7.639 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCc1ccccc1 1872782362 GUOGITOGLPXYSN-VUTHCHCSSA-N 514.650 8.519 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)c1ncc(I)cc1Br 1888099747 YNPUODKLILMXMO-CYBMUJFWSA-N 524.038 5.629 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904343827 MTVHQAYZIANVQM-IBGZPJMESA-N 551.104 6.475 50 10 KKGE CCOc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924596017 HXAWJLOGFFHJTF-SNVBAGLBSA-N 533.905 6.919 50 10 KKGE Brc1sccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924613359 RERRYRIAZVGRDN-YFKPBYRVSA-N 574.777 7.344 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 1951016296 LUNSEEXBEJTQPK-LURJTMIESA-N 588.804 7.652 50 10 KKGE CCOc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2042445842 BEJDTQFDIKXBNE-UHFFFAOYSA-N 506.484 6.062 50 10 KKGE COc1cc(C=C(C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1cccc(C(F)(F)F)c1 2042446044 OKLKVRPUBRLMQA-UHFFFAOYSA-N 537.563 6.946 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4S3)cc12 2053614524 XCRRKFYTDBCWKU-UHFFFAOYSA-N 506.996 5.728 50 10 KKGE FCCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085493620 DVDSVJQPNAPBHB-LLVKDONJSA-N 528.279 7.156 50 10 KKGE CC1(C)CC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498708 CJOUOQHMAGNMSW-WKEGUHRASA-N 568.767 7.609 50 10 KKGE Brc1cc([C@H](Br)c2cc(I)sn2)cc2c1OCCC2 2120030627 DFJSZJZSFJEMJR-LBPRGKRZSA-N 515.008 5.320 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2141468150 HAHWYMSFWHRWBK-PRHODGIISA-N 582.750 6.742 50 10 KKGE C[C@]12C[C@]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141472173 ALRKOUHAFVDCAO-JHJVBQTASA-N 538.299 6.586 50 10 KKGE C[C@H](COc1c(I)cc(I)cc1I)c1nc(CCl)cs1 2166293348 YYFGQWVEWMOLFG-SSDOTTSWSA-N 645.469 5.878 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1Br 2179826162 PGNOPPFQAKZWNJ-GOSISDBHSA-N 517.283 5.022 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)c(Cl)c1Cl 2203433020 LEDOTZSBFALDTF-LLVKDONJSA-N 503.843 7.011 50 10 KKGE CC(C)C[C@H](C(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401234 WAVPKCADGVGGLR-RNCFNFMXSA-N 598.837 8.491 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2224056353 WJXOZHCOLCUTLF-AWEZNQCLSA-N 500.037 6.470 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H](C)CCOCc1ccccc1 2225684605 CLFXKERXKFESSC-KGLIPLIRSA-N 500.662 7.029 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CCCN(Cc2ccccc2)C1 2234065957 JQXRVNZMMLTCJP-INIZCTEOSA-N 511.689 6.212 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)sc1Br 2248215445 VRPJLMAEUSVGJA-NSHDSACASA-N 506.428 6.561 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 2256136704 LQSANBRMWQMYBJ-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277887078 CIHOBSRMXKQCMY-GFCCVEGCSA-N 531.933 7.331 50 10 KKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1cccc(Br)c1 2297498638 RKFCEYDOKBYITQ-UHFFFAOYSA-N 518.161 5.187 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571120 NSXPJABFMQKIME-UHFFFAOYSA-N 625.031 6.313 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571440 WKLCVEYUBWPBRD-UHFFFAOYSA-N 554.630 7.673 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593694 REQONEPKGBBMIU-HFJWLAOPSA-N 566.510 6.696 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 2314616512 CKZIJGUBCZISMB-UHFFFAOYSA-N 520.633 6.171 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314616532 CXFWKOLBXLIPPU-UHFFFAOYSA-N 558.707 7.142 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314616577 FACGFUKCLOTEPP-UHFFFAOYSA-N 520.589 5.235 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314620727 TWSPETNVFCKXEZ-UHFFFAOYSA-N 560.629 6.567 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 2314717238 VREIJCBCLFSHIZ-UHFFFAOYSA-N 517.025 7.084 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2csc(I)c2)c1Br 2315440881 ZELHSVBCNPAWJX-JTQLQIEISA-N 544.836 6.998 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c2ccccc2)cc1OC 2331351829 DINOLGCVBYPVPB-UHFFFAOYSA-N 502.542 7.139 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@H]1CC[C@H]2O 2333121704 FIAYIYKWRBIBQG-VOAMMUIVSA-N 634.601 6.657 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2338022459 WTLSEUHNUWIHPN-CQSZACIVSA-N 531.933 7.472 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(C)c2Br)c(C)c1Br 2343477769 VEFJYOFHTYHFKF-CQSZACIVSA-N 531.933 7.445 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)ccc1I 2360434543 JGRCTPKMTGGFLI-GFCCVEGCSA-N 552.834 7.292 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2364051044 LUAQCINGVVAMAW-SNVBAGLBSA-N 529.852 5.127 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Cl)cc2I)c1Br 2365595075 GGVQYQWOKXQKLJ-HNNXBMFYSA-N 548.871 7.415 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 33635544 JBYLFXZZFOPMBD-LGMDPLHJSA-N 505.552 5.906 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1 38650864 XBHQTVMFIRTBMJ-PMERELPUSA-N 512.606 6.191 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682404 PPWYSASFOXVRAF-MHZLTWQESA-N 500.620 6.415 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)c1 40530113 VGKCYJKITFPACU-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811828 UJZZFGGIVLCHPL-MWAVMZGNSA-N 517.383 5.621 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)ccc1Cl 40822826 DRKKYDFXSGUTLW-WGPBWIAQSA-N 512.993 6.906 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 40851031 UIPKJGGZRSSOIF-KPLKGUCASA-N 514.965 5.639 50 10 KKGE CC(C)CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100148713 OSEHYOAFNIKKDF-UHFFFAOYSA-N 623.367 5.504 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229592 JBIDPOXPDUJHAR-UHFFFAOYSA-N 558.043 5.008 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3OCCc3ccccc3)cc2)cc1 100241637 AAINDULLNOVFRG-UHFFFAOYSA-N 535.644 5.933 50 10 KKGE CCCCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21 100870204 PJSWJUMSJDVSSF-QVAGMWBUSA-N 557.448 5.954 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101337108 VBIJZAGDSCFPEN-LPHATQMZSA-N 557.050 5.753 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1 101340200 HUSKOKIBTFHUBN-CIXXEJBXSA-N 570.649 5.706 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 101340485 NGVTYIDRSQOARY-ZCTHSVRISA-N 574.656 6.958 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101365111 HMLNZIGPGBJFSI-NRFANRHFSA-N 516.724 5.992 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)oc2c1C 101390968 IZWTYHYSNROVQO-WJOKGBTCSA-N 556.618 7.374 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 101601025 IAVXZQRFZDCDTH-NDZAJKAJSA-N 548.393 5.597 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 101687966 LYIQWHLWFURIRO-RCCKNPSSSA-N 534.634 6.334 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OCc1ccccc1 101766353 YGKBGPIUUVDNHM-FJEPWZHXSA-N 604.339 6.626 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1OC 102779619 CPLAXMPWNNFIPG-LJAQVGFWSA-N 561.119 5.301 50 10 KKGE COc1cccc(N/C(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)=C(\C#N)c2nc3ccccc3s2)c1 102930969 UTJZVUQTADTNMU-LKFALCMASA-N 553.694 6.864 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742877 RNQULPCBOVOPSW-CTHAODRQSA-N 587.326 7.129 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150389659 CLXGATKRTORRIG-UHFFFAOYSA-N 621.507 5.386 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc2ccccc12 150402028 HNZHRWFXVRZKIL-NRFANRHFSA-N 620.703 8.309 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 150411118 RKKHEMVLNFTAFX-DASZMPIFSA-N 696.785 6.044 50 10 KKGE ClCc1csc(CCCOc2c(I)cc(I)cc2I)n1 156070288 ZYVCCICNDSGFRZ-UHFFFAOYSA-N 645.469 5.707 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205650339 CCFMWGVIYPIGGN-HWJJOBPGSA-N 526.589 5.720 50 10 KKGE CCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 206543564 UHPPMOMMPVOIBU-JVMBGAFUSA-N 538.556 5.204 50 10 KKGE C[C@@H]([C@@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)P(C1CCCCC1)C1CCCCC1 208701212 BLYORWLXGDDPCI-ZIEBXPDOSA-N 750.629 12.899 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214384941 GKKMTSCCXMYUDC-QFEZKATASA-N 603.591 5.367 50 10 KKGE CC(=NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 254318322 PTSDBOYJYXSMIK-NRFANRHFSA-N 599.534 6.599 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(-c4ccncc4)n3-c3ccccc3)cc2)cc1 254838769 SCWNKJDSSPLDJW-UHFFFAOYSA-N 548.628 5.099 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@H]2Br 261366742 ILDADXBXLKHEFP-YSSFQJQWSA-N 530.098 6.464 50 10 KKGE CC(C)[Si](OCC(=O)[C@]1(O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C)(C(C)C)C(C)C 504170637 DRHJQOZLRXWLKW-SQJDEQFQSA-N 707.129 9.020 50 10 KKGE Brc1cc2c(c([C@H](Br)c3sccc3I)c1)OCCC2 688370891 KATCAGTZKCROFI-LBPRGKRZSA-N 514.020 5.925 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1csc2c(Br)cccc12 721590278 XCMXEIYLKXVZAZ-CQSZACIVSA-N 542.461 7.359 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1 725445790 LLRJBIKPMGWRMQ-NDENLUEZSA-N 634.255 6.583 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1F 1084075010 NJFJHRBAXCABQU-UHFFFAOYSA-N 612.499 7.706 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084125945 ONXNTDSTHNFQJP-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Cl)c1 1084219056 XTGAHXADHUFBBN-UHFFFAOYSA-N 532.221 7.153 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3c(Cl)cccc3Cl)cc2)c2ccc(C)cc2)cc1Br 1084274151 RCKMASNSGQLENY-UHFFFAOYSA-N 661.405 7.232 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)c2cccc(C(F)(F)F)c2)cc1 1084368343 CCBZSETZPAJMLA-UHFFFAOYSA-N 551.590 5.611 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 1084641194 PLBNSPPLNHXHMI-LDADJPATSA-N 512.349 6.425 50 10 KKGE CC1=C(Cl)C(=O)[C@H](Cl)[C@H]([C@@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]3(Cl)CC(C)(C)O[C@]23Cl)[C@@H]1Cl 1615217018 KSFTZUJIAOUCAC-UCXWQYDLSA-N 537.953 6.477 50 10 KKGE CCOc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 1772719615 FJDBIPTWSDDRNX-UHFFFAOYSA-N 650.688 5.303 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746947 JEJQWBYODDJQRK-UHFFFAOYSA-N 512.009 6.309 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748102 NJZFVKXCLCEREN-UHFFFAOYSA-N 515.353 5.203 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 1772752832 JSLLSDBESCMIRB-UHFFFAOYSA-N 537.100 7.171 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccccc1 1772752895 UHNHSDQJIDACEA-UHFFFAOYSA-N 502.655 6.517 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688966 GHNDOZGNRITHAR-AREMUKBSSA-N 527.024 6.267 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865690465 RYCSFFRLZHGFAP-MHZLTWQESA-N 541.051 6.657 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865692425 BLCLSUIEVOMVIH-MUUNZHRXSA-N 527.024 6.089 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697993 HMNDQFURTKBZIC-QFIPXVFZSA-N 557.876 6.255 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705515 XSBFXTGYLDRIHE-QFIPXVFZSA-N 568.914 6.180 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865707153 PEJDKRCMHOBJOH-WJOKGBTCSA-N 537.667 6.843 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707400 WGJDSCPLAIRACQ-RUZDIDTESA-N 528.996 5.496 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865708995 KXTSBXXXRGPEHX-NDEPHWFRSA-N 557.695 5.460 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OCC)cc3)c3ccccc3)n2)cc1 1872744977 RQAUNEPFLZPFDI-BSKOBDOZSA-N 506.671 8.585 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Br)n1 1872746947 GXNOTLCFIMBWER-MNDPQUGUSA-N 505.821 6.886 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c1C 1872754337 NYKGYOLENOPXCY-LNVKXUELSA-N 516.579 5.821 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)n1 1872793211 NOJLNMJBFZHYHV-PXLXIMEGSA-N 515.078 8.413 50 10 KKGE CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1906132430 TYWMFBRQNUKAQI-BYPYZUCNSA-N 514.675 6.583 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 1922889464 WSRPBLPOVOCOTO-JTQLQIEISA-N 582.775 7.591 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2sc(Br)cc2Br)c1 1922943398 VOMVNLQKMXWCCX-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1csc(I)c1 1923049842 OLLJMKBDZUYCHE-LURJTMIESA-N 532.875 6.921 50 10 KKGE CCn1ncc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924569777 ADMZHAJBMSODSC-ZETCQYMHSA-N 542.316 6.343 50 10 KKGE Brc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924585627 NWEHFBCBJNQMQU-QMMMGPOBSA-N 568.748 7.282 50 10 KKGE Clc1cc([C@@H](Br)c2csc(Br)c2Br)sc1Br 1937735010 UFERORCUHFSHDU-LURJTMIESA-N 530.326 7.235 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CC(=O)CBr)c1I 1952647369 MKSNQMSGFBWBTK-UHFFFAOYSA-N 705.894 5.354 50 10 KKGE CO[C@@H]1CC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2013840544 XUKBUCXLDZIXPH-RRKCRQDMSA-N 511.899 6.287 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Br)cc1I 2026211157 HWQRRNHSADMKDC-NSHDSACASA-N 550.879 6.670 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](n2ccc(=NC(=O)c3ccccc3)nc2O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 2037828934 CPGHJJORJQXUDX-WBWQBWBNSA-N 645.814 6.300 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cscc2OCc2ccccc2)c1Br 2038685637 FJXJFUFMGZEWBY-CQSZACIVSA-N 512.210 7.654 50 10 KKGE N#CC(C(=O)COC(=O)C=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)=C1Nc2ccccc2N1 2042440014 SPSHVPQFOQWYCR-UHFFFAOYSA-N 505.509 5.077 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(C2)CC32CC2)c1Br 2064003165 VHMDAUYYAWDHKG-XAUYTDGJSA-N 519.922 7.052 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2085497378 VVZXCONSURRNQE-NSHDSACASA-N 542.674 7.311 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141475347 MAWOQNBPONJRTC-NWDGAFQWSA-N 586.738 5.978 50 10 KKGE Clc1cc(COc2cccc(Br)c2CBr)ccc1I 2142950109 OYIGXJXXBAGRHW-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1cc(I)ccc1Br 2145954519 DBQCVSUDMQFUCS-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cc1c(Br)sc([C@H](Br)[C@@]23CCC[C@H]2CS(=O)(=O)C3)c1Br 2201883042 QZQQPUCLGPMHAU-LJUAHTATSA-N 507.107 5.232 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(F)cc1I 2206565666 HRLWFBCDVXINMX-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE CC1(C)CCC[C@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2216422249 VBZCEGJYKBRZLQ-LHLIQPBNSA-N 509.927 7.093 50 10 KKGE Cl[C@H](c1cc(Br)co1)c1c(Br)sc(Br)c1Br 2244209170 OWIPMAAXVZLKHQ-SSDOTTSWSA-N 514.258 6.719 50 10 KKGE Clc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1Br 2256130559 WRSAHCROOMBVAF-GFCCVEGCSA-N 518.268 7.112 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)c(I)c2)c1Br 2256336040 KSWUQWVBDWZNMZ-SNVBAGLBSA-N 585.324 7.324 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cocc2Br)c1Br 2258117557 LRJIJKDEZQUEPC-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1c(F)cccc1I 2267660516 QTBRWOUCNUMVEB-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(Cl)c2Br)c1Br 2283186435 CGLDQCGXLXGTNH-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE CC(C)=CCCC(C)=CC=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2293110754 GTYAFIHSBWZLRY-UHFFFAOYSA-N 508.254 6.538 50 10 KKGE CCOc1ccc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)cc1OCC 2293355636 ARTWWRAHPSXBKN-UHFFFAOYSA-N 563.098 5.905 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2296940655 UDEYGMCEFGDMFW-JOCHJYFZSA-N 522.945 5.452 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458539 PQLKRBAXSRCYCE-HSZRJFAPSA-N 518.982 5.622 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2299494959 PEQXOQQXEHUYGG-SFHVURJKSA-N 531.107 7.645 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643195 HNKXCRKQPHGDPZ-MGBGTMOVSA-N 613.497 7.808 50 10 KKGE N#CC(=Cc1cccc(Cl)c1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2329685245 PZUHVMCVOKYOTC-UHFFFAOYSA-N 504.775 6.335 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)cc(C)c2OC)cs1)N1C(=O)c2ccccc2C1=O 2331376006 CAFCGJPXHYFCGB-WAIKUNEKSA-N 501.608 5.939 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 2331394500 NQPVKWHNIOTFPN-UHFFFAOYSA-N 502.552 5.513 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1Cl 2331398454 WUYHDZDWGILKRI-AWEZNQCLSA-N 516.406 5.980 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1F 2331455629 BXZHMUBZZBRYFM-UHFFFAOYSA-N 500.595 7.042 50 10 KKGE FC1(F)CC[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2335365508 POHYPLPNGRXRBZ-YLWLKBPMSA-N 546.269 7.452 50 10 KKGE CCCCO[C@H]1[C@@H](Oc2cc(Br)cc(I)c2)C[C@H]1Br 2338759703 YVROAAPNBOKVRL-HZSPNIEDSA-N 504.000 5.154 50 10 KKGE C[C@@H]1CN(Cc2ccc(I)c(Br)c2)CC[C@@H]1CCBr 2349825741 RKMNDJZVUDCJBZ-YPMHNXCESA-N 501.044 5.297 50 10 KKGE COc1cc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)cc1Cl 1767685 XECITOFKVDIVKE-JLHYYAGUSA-N 510.915 5.472 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1 2325391 DJWXGUHGZXMMDP-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 15911500 AOAJCOWTUAOFQD-CPNJWEJPSA-N 518.495 6.121 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 38660397 WIWBJTXSSKSGTA-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Oc2ccccc2)cc1 40794987 JKCZZOAWCKWVLD-UHFFFAOYSA-N 502.578 5.870 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812074 GNRWTNRJJBXBRZ-NOBHLTQKSA-N 507.550 6.432 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c(C)c1 40815441 MUDJHRRQODINFZ-JJNGWGCYSA-N 505.618 6.446 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccc(C)cc1 40951231 FFTLOWQRGSPSHQ-STBIYBPSSA-N 525.443 5.963 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 58894096 DVGSJEOIWUIWGT-APTYXWLQSA-N 522.001 5.162 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100190893 XOVGXBOUOGDASE-UHFFFAOYSA-N 629.415 5.649 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190954 WGFSPSUHOOMWDE-UHFFFAOYSA-N 564.546 5.782 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065515 BGPZFIZIZLRBCI-MTDXEUNCSA-N 578.250 5.203 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 101115828 CGQAECDJQAFMEK-LGMDPLHJSA-N 549.370 5.516 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101337175 CGJMFZIPTRUFBW-POHSMMLUSA-N 550.659 5.654 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 101363550 JJHDYMXECJTLJL-SANMLTNESA-N 533.422 6.455 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101368383 JSBOXZCIZCBNAN-JGCGQSQUSA-N 570.686 6.620 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 101368873 ITGJTYPWPZEKDU-JOCHJYFZSA-N 546.204 6.202 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 101375223 SBOGJICPIWQQDR-SSEXGKCCSA-N 563.050 6.366 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378674 YEOSIPGTYXIBIB-YTTGMZPUSA-N 546.623 6.800 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383723 UNFDGAZLYJVNBN-GILSBLPBSA-N 548.570 6.250 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 101393300 VGGGQGBLEBMAJB-SANMLTNESA-N 609.531 8.079 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101395980 CRXGFGORYMVVAI-HKBQPEDESA-N 584.644 7.676 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2c1 101398402 KTONWIPAMWHJNA-YTTGMZPUSA-N 591.063 7.973 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)cc1Cl 103880664 RZXSVZJTSYGCDC-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150463542 UXCAZNZWUZYLGR-TZBQGJFWSA-N 633.915 8.071 50 10 KKGE NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724482 UYXGNGHTKKUUEW-LQJZCPKCSA-N 697.745 5.400 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214360362 VVHDFQDUGXIBRG-QRQIAZFYSA-N 520.633 6.170 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214434489 OISQSHAXJIYRHA-QXPFVDMISA-N 616.674 5.290 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C(C(=O)C(=O)[C@]12C)C3(C)C 222024752 MGJAFORIYQRETF-GFNBDMJHSA-N 771.109 7.349 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1cc(Br)sc1Br 234805145 MDSKNSLMWBBFFG-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)c(C)cc1Cl 235857221 XRPNSVUUMLKSLS-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 251465014 ZODHPXNJFNZLJV-POKRMJQFSA-N 597.722 9.946 50 10 KKGE biogenic CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254308291 KVEGDEVJALMCLP-UHFFFAOYSA-N 518.216 5.919 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)cc2)cc1 254412455 UYUQQUJVSSEOCW-UHFFFAOYSA-N 541.673 5.536 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2)cc1 254679121 KGVIYTCRFCQTPS-UHFFFAOYSA-N 578.625 5.344 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)ccc1O 254769911 GALDCIVYWSYYRK-UHFFFAOYSA-N 529.666 5.579 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc(C)c2)cc1 254854992 BFEXJJMSJAMWEG-UHFFFAOYSA-N 521.702 6.482 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2Br)ccc1OCc1ccc(Cl)cc1 256017396 LFDTURSXRWBMBA-QGZVFWFLSA-N 531.834 5.916 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 256313454 OGAQVUGJYFZLEO-WJYGJJSKSA-N 589.648 6.892 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2I)C1 382714320 JDMWYVDDTKRKNN-WMLDXEAASA-N 579.070 5.801 50 10 KKGE CCOC(=O)/C=C/[C@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)OC(C)=O 504760665 JYMJLNLYYZEXRC-XEPMYJLFSA-N 522.831 7.048 50 10 KKGE Cc1ccc(C(=O)N/C(=C\n2ccccc2=N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 585660823 LTNJVKUZRVZCPL-ULBAQOAVSA-O 514.589 5.456 50 10 KKGE C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]32)O1 605694671 ALHDGNSPBBXBJX-SQOMLOGYSA-N 981.707 14.369 50 10 KKGE in-vitro Fc1cc(Br)cc(CBr)c1OCc1cc(Cl)ccc1I 715720697 JTNXBDARIUGTAA-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721589390 SYCJYAYQHHNVBZ-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE O=C(NC[C@@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725239183 ZSXXSDMUMKOBKA-CPJSRVTESA-N 594.055 5.855 50 10 KKGE Cc1ccc(NC(=O)Cn2cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)cc1 1084066235 CTSILZDIGBCIOF-UHFFFAOYSA-N 565.677 7.118 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084119640 JCGMLSAHQDLRDT-RUZDIDTESA-N 552.425 5.629 50 10 KKGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 1084127835 KHIWPVMADJQDTO-UHFFFAOYSA-N 619.585 7.130 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSCc2cccc(Br)c2)c1C 1084300196 BRDQUCPEIWGAQU-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OCC)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 1084302556 DCMHEJKRCDXFKF-UHFFFAOYSA-N 610.088 5.521 50 10 KKGE O=C(NN=Cc1cc2ccccc2nc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 1084371274 DRIXHHGDZZOKLV-HHHXNRCGSA-N 501.011 5.426 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084433432 MUFXJTJCIASIBL-UHFFFAOYSA-N 595.055 7.366 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc(C)cc4)c3C)sc3c2CCCC3)cc1 1084626750 PUIFGPYIJUUOGC-UHFFFAOYSA-N 524.690 6.667 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1Cl 1772744119 QHAQBMPLVAAKRD-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5Cl)c(C)c43)coc2c1C 1772752072 TXIWGBWUYHEYKW-UHFFFAOYSA-N 503.986 6.256 50 10 KKGE Cc1ccc(C(C)(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 1772752401 FVGNCRZTJHPFFC-UHFFFAOYSA-N 568.899 6.155 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C3)C[C@H]1O)[C@H](C)C[C@H]2OC 1848433163 YGXDKYAIMAMUAT-BKNFIUMYSA-N 920.311 7.460 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683587 MZWIRSFKYNFEDP-VWLOTQADSA-N 530.003 5.684 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685067 DMZWXFKHMPEGND-OAQYLSRUSA-N 538.232 6.827 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687297 NZILAROJDRFWKL-SANMLTNESA-N 512.997 5.894 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688764 ADFRVHJYIAZNNX-INIZCTEOSA-N 555.738 5.298 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865689033 IGQGBXUDZGGHLD-NDEPHWFRSA-N 520.633 6.231 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865691289 ONCXIEQRGPRCEE-QHCPKHFHSA-N 544.549 6.275 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865692022 HNAPZSPGRDFJBH-DEOSSOPVSA-N 551.485 6.052 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696984 MKHZJVXJBNIWGR-PMERELPUSA-N 569.105 6.776 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1865699138 LVTHYFZVEIVRBV-IBGZPJMESA-N 518.326 5.967 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704689 BZMDHWJASYHWRN-NDEPHWFRSA-N 520.633 6.229 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705091 LWOALFQJSPIOLE-XMMPIXPASA-N 555.462 6.244 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706638 BMGOBUMJCIYTGT-MUUNZHRXSA-N 568.519 6.832 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865708853 HNFASNVSIIDBHJ-NDEPHWFRSA-N 578.113 5.401 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(Cl)c4)CC3)nc(-c3ccccc3)n2)cc1 1868365914 YIRAXQDXHWRACR-UHFFFAOYSA-N 541.124 6.869 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)c1 1868544328 CHNLTMCINBTZDN-UHFFFAOYSA-N 556.739 8.800 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(Br)cc2Br)c1 1922885922 QQUXJHJLIZWEFE-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(F)cc2I)c1Br 1922944910 AUOOIAKTPDBKHZ-SNVBAGLBSA-N 524.418 6.653 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1c(Br)cccc1Br 1945323593 SNZQVEMNHFFJDY-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)s1 2029233140 PGZOCVDHIMWVKH-GFCCVEGCSA-N 504.000 6.301 50 10 KKGE C[C@H]1C(CSc2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12 2037697974 GIVSYSNWGRQRDF-BLNVZXSVSA-N 582.795 6.571 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)sc1Br 2082377918 VSQWFARQIHEHSQ-NSHDSACASA-N 538.324 7.482 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2csc(Br)c2Br)c1Br 2093941937 GONYGYYJFOBEDH-SSDOTTSWSA-N 519.427 7.444 50 10 KKGE Cc1csc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 2100814625 KPIRUOCTEXOBLE-LBPRGKRZSA-N 514.020 5.843 50 10 KKGE Cl[C@@H](CC1CCCCC1)c1c(Br)c(Br)cc(Br)c1Br 2141476454 AVRNNOFUXQRUNS-NSHDSACASA-N 538.343 7.987 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC3(CCCCC3)CO2)c1Br 2166267666 QYPSSEJXVKBQMR-SCZZXKLOSA-N 551.964 7.211 50 10 KKGE CCOc1c(Br)cc(Br)cc1CNCCSSCCNC(=O)OC(C)(C)C 2181745647 DHLSBQPPNOSSFC-UHFFFAOYSA-N 544.375 5.606 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 2202903394 DLEXLGYVTKUNOL-CQSZACIVSA-N 531.839 6.606 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396300 VFRNSMJMNQUCDK-CDUCUWFYSA-N 610.726 8.151 50 10 KKGE CC(C)Oc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2207271425 IBLSFIYGLIFGAC-MRXNPFEDSA-N 510.007 6.325 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(C)cc2Br)s1 2221834445 DYYIOGVYASBPGT-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232835895 ZZZMXPXEFOKZHR-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Cc1nn(C)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2240928529 CSIILGGUHVGHES-LLVKDONJSA-N 570.732 6.760 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)sc1Br 2263446872 SJBJUZBVYZMRFP-SNVBAGLBSA-N 538.324 7.321 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)c(Br)c1Cl 2283563664 TUNOMSYWJXFUQE-LBPRGKRZSA-N 595.294 6.963 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)c(Cl)c1 2288348872 JQBLKWUKDIBISI-LLVKDONJSA-N 509.797 7.281 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccccc2OCc2ccccc2)cc1 2293769025 MDEMGBITUAJHKT-UHFFFAOYSA-N 537.641 6.229 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295346316 YFMUWDZXZSPSFA-AWEZNQCLSA-N 546.322 7.615 50 10 KKGE N#CC(C(=O)c1ccccc1)=C1SC=C(NC(=O)CSc2nc3ccccc3o2)N1c1ccccc1 2296482305 MIMPOPQTJVXLNR-UHFFFAOYSA-N 510.600 5.706 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1I 2299501535 OWCAZJMDPUGYBW-KRWDZBQOSA-N 562.043 5.851 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2sc(Cl)cc2I)c1 2300955997 TXWVCNXOGPWEKE-JTQLQIEISA-N 529.395 6.592 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Br)cc1 2313570651 BZCSMQWOWLYOGK-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2314482352 IPWGILXOSUYIRX-SSEXGKCCSA-N 513.557 6.496 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(I)cc2)cs1 2314487196 FEJMVQZACQVJSI-UHFFFAOYSA-N 608.417 6.405 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314611534 WNHFLIWIBMEXRC-UHFFFAOYSA-N 550.703 7.055 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314616739 IRUSAWTYOPRRIQ-UHFFFAOYSA-N 655.110 7.293 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314616850 LBKHCVWVNROCGA-UHFFFAOYSA-N 534.660 6.499 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618502 OQPBXWGHUBRIMM-NRFANRHFSA-N 549.030 6.555 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314619952 HUSKOKIBTFHUBN-QFIPXVFZSA-N 570.649 5.706 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 2314785131 QVZMKYSPKPUEHO-UHFFFAOYSA-N 543.458 5.563 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)ccc1OCCC(C)C 2314790244 SKAGNYDAWPYNLM-UHFFFAOYSA-N 506.599 5.179 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2317779907 YFAZNNCUJBLACA-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331232694 UEVULFXYHHEGBX-WINIVTDRSA-N 519.626 6.981 50 10 KKGE COc1c(Br)c(C(O)=C(C#N)c2nc(C(C)C)cs2)c(Br)c(OC)c1OC 2331327684 HWHJYIOLRONGEP-UHFFFAOYSA-N 518.227 5.767 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)c(OCC)c1 2331386500 GFPWRSWNGVVKES-MRXNPFEDSA-N 517.607 5.952 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337089696 CHTGYRAZWNMQJI-QMMMGPOBSA-N 557.302 7.016 50 10 KKGE CC1(C)CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)CC1 2349812218 WOYMURLGBBADGZ-STQMWFEESA-N 500.056 6.576 50 10 KKGE FC(F)(F)C1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCOCC1 2361171106 JBCYJATVCPPRAZ-GOSISDBHSA-N 508.172 6.823 50 10 KKGE CS(=O)(=O)C1CC([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362232984 UOVXKWOZBWRKCU-SHOFKNTGSA-N 513.448 5.263 50 10 KKGE C[C@H]1CC2CC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368040864 XXPNUPZPRYPAFX-VVPBMUBNSA-N 596.777 7.130 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1F 6906987 WRAGRJVUDDADOK-STZFKDTASA-N 532.527 5.734 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 14645728 IGQLQUOQJOXKJA-UHFFFAOYSA-N 511.416 5.528 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)c(Br)c1O 33304198 DAMBVBAAXBDMEZ-WDZFZDKYSA-N 500.574 5.433 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 38688612 HOGLAYFQHDHLGU-VWLOTQADSA-N 516.937 5.849 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1Cl 40530243 HZXVDRKFCXWKHS-XMMPIXPASA-N 509.389 6.528 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 58893872 CLSPQYYLGHOENS-ABZYITTCSA-N 501.410 5.935 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 59261203 CQEKAWDYIQJFGM-STBIYBPSSA-N 513.111 5.530 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59485079 LKNOLKQNZULEJQ-WOJGMQOQSA-N 508.328 5.491 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc(C)c(CC)c2C#N)ccc1OCc1cccc(OC)c1 98063417 PYVCETCRJNIVJJ-MTJSOVHGSA-N 501.608 6.023 50 10 KKGE O=C(COc1cccc2ccccc12)N/N=C/c1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 100059744 PACNLIUWJVIVAB-ZXHXELASSA-N 530.584 5.051 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 100234248 VHVOOBSYJPCTDU-BJOPQRBISA-N 538.475 6.667 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 100235468 RWGWOHZVUOMSSU-PCYMAAINSA-N 608.302 6.292 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1 100452615 VUYNJZPOXGAVEV-MGCJZSHXSA-N 611.249 5.736 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101338843 MQEYYLNVNMNYER-MWAVMZGNSA-N 609.752 5.639 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 101339243 CAJALQYEYCUMKG-ZTKZIYFRSA-N 634.708 6.709 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367378 BGOGDXAVZKFOPB-YTTGMZPUSA-N 564.594 5.485 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101374999 DMGQYOIGNVHJQG-PMERELPUSA-N 542.632 6.346 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5Cl)ccc43)cc2)cc1 101378581 WZRNZXKQKOWSDZ-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)sc2c1 101393995 RCSICCPYJWZJPM-JOCHJYFZSA-N 551.849 7.063 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCC(C)C 101395578 OUGCCLMSYTWWSK-NDEPHWFRSA-N 542.563 6.361 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101398358 NMYOWMOSHHNRNQ-KYJUHHDHSA-N 566.997 5.883 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)c(Br)c1 101602357 CDOMMZJFCMXSST-MTDXEUNCSA-N 559.804 5.943 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(F)cc1 102933262 BFFBSQGWGAUSBM-PXNMLYILSA-N 589.317 5.177 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)c1 102991695 OIUOTYXQBAHVAG-NKFKGCMQSA-N 536.661 5.521 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789470 BUTAQQUZHOZIGV-CJLVFECKSA-N 536.857 5.937 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 103878088 RIUFHMXIMPKVFU-HPNXWYHWSA-N 573.649 6.893 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 105060297 WZYBBMAZEMPYLB-FABQOPTDSA-N 593.463 6.963 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 109927006 UDHKHIHAHMAFRA-GIJQJNRQSA-N 548.220 7.706 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 150419193 OPJLRIVGXPYHEO-GPMZVODXSA-N 669.159 5.517 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432931 JWZPKDRCVKEBCY-ROJLCIKYSA-N 645.495 6.935 50 10 KKGE COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1OCc1ccc(Cl)cc1Cl 150637116 MHXVFXUHIHHZHE-NGYBGAFCSA-N 629.285 7.194 50 10 KKGE BrCc1ccccc1-c1cc(-c2ccccc2CBr)cc(-c2ccccc2CBr)c1 196580906 ITKOHHHYGWZHGW-UHFFFAOYSA-N 585.177 9.372 50 10 KKGE O=C(N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198743753 UQOAIFHAGTXOKW-IZYHBKOJSA-N 603.889 8.362 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198745540 BALOHYKTMVKWCB-KPGMTVGESA-N 598.280 7.318 50 10 KKGE CNC(=O)COc1ccc(COC(=O)[C@H](CSSC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1 199052690 AQIPDLUQMOGNCZ-NDEPHWFRSA-N 638.808 5.950 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214312026 XJQZXTKISLENMW-YKQZZPSBSA-N 571.681 6.460 50 10 KKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Sc1ccccc1 217243818 CKVCJJAVEHPDIR-PFONDFGASA-N 507.459 7.333 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(C)c2I)cc1Br 235904002 ZLWIDDVCXDXDHV-AWEZNQCLSA-N 514.426 6.761 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 254572641 JRBWNXHBHSOPPS-UHFFFAOYSA-N 518.721 8.610 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)c1cc2ccccc2o1 1083934091 VKBDGIHFDNRVNG-UHFFFAOYSA-N 528.200 6.301 50 10 KKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1084036283 HQDIVOCDFHVNEP-UHFFFAOYSA-N 569.108 8.636 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1 1084191279 JRAJTGPTZYSZDT-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CSc3nnnn3-c3ccccc3)cc2Br)cc1 1084458151 IXXHNMZWYWTMLB-UHFFFAOYSA-N 616.339 5.317 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084580267 DFZBXSXFLZGSRM-LZYBPNLTSA-N 593.204 6.451 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1084592771 GPPJMGFVUBHYDP-BOPFTXTBSA-N 501.797 7.170 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 1084597173 WLUZBLDHWADBCI-XMMPIXPASA-N 627.306 6.540 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 1084611858 JZYQWCRYMFOPRR-UHFFFAOYSA-N 551.068 5.456 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084614695 TYUIABBOJYQPQL-QGMBQPNBSA-N 525.786 6.264 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccccc1O 1565517632 BDRQKRSRDKAEDL-YTTGMZPUSA-N 616.678 6.119 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Cl)CCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537980 FRORSYDIKBYDEQ-VRMFBNSCSA-N 505.227 9.635 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747229 MKXVOKRJBCBLIC-UHFFFAOYSA-N 583.464 7.245 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747865 LMXGVNNVSYBIIA-UHFFFAOYSA-N 535.771 6.179 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 1772749235 JQNBLNHOAQBMQV-UHFFFAOYSA-N 546.407 5.400 50 10 KKGE Cc1cccnc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749802 OVUNEAAIDIQFCZ-UHFFFAOYSA-N 501.370 5.086 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755549 LWLQBXJQBQNZTG-UHFFFAOYSA-N 547.534 7.024 50 10 KKGE CC(C)(C)[Si](C)(C)OCCOC(=O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCOC(=O)c3ccc(C(=O)OCCO[Si](C)(C)C(C)(C)C)cc3)cc2)cc1 1848441554 ZSNQLBRKZBPFGT-UHFFFAOYSA-N 867.106 8.071 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693378 JBHNLQIICDDFDR-LJAQVGFWSA-N 555.078 6.733 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865703789 FVBPRDWKFZBXDD-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704593 ZLNNPNURCRBPMW-SANMLTNESA-N 572.974 7.495 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706449 XDDASHXJMDMJLW-QFIPXVFZSA-N 534.359 5.981 50 10 KKGE CC(C)[C@H](C(=O)N(CCCl)CCCl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1866306947 YWYZNVINCIJAAB-CQSZACIVSA-N 874.848 5.032 50 10 KKGE CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1 1868207606 PEQXJPLAELWHES-MUUNZHRXSA-N 519.718 8.023 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c2ccccc12 1872758590 HUXDVNPGXIBTKO-QOCHGBHMSA-N 510.402 6.501 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872793337 VDQDGVXVMKYCCK-LZYBPNLTSA-N 505.384 7.102 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915076157 NOQHQKDAPRLPHP-CQSZACIVSA-N 551.060 5.870 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1923065571 FDVRMQPOEZEIBM-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1sccc1Br 1923071592 JZRGTROSLDIQIM-RXMQYKEDSA-N 530.326 7.235 50 10 KKGE CC[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583412 JNNZHBHWGDBJJO-GKROBHDKSA-N 511.899 6.287 50 10 KKGE CCn1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)nc1Br 1924609456 XYRRYGZRJMDYBT-ZETCQYMHSA-N 542.316 6.343 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@H]2C[C@H]3C[C@H]3C2)c1Br 1950174205 UQXNLPLGKOUCRH-HSNKUXOKSA-N 507.911 6.908 50 10 KKGE Brc1sc([C@H](Br)c2csc(Br)c2Br)cc1C1CC1 2033617667 BGYWYOOJQYZQAX-SECBINFHSA-N 535.946 7.459 50 10 KKGE O=S(=O)(N=C1C(Br)=C(Br)C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1 2053622325 UVNNXZBWWIJGNO-OTVXOJSOSA-N 772.944 6.495 50 10 KKGE CCc1cccc(CC)c1NC(=O)CSC(Nc1ccc(C(C)C)cc1)=C(C#N)c1nc2ccccc2s1 2053623079 DAMCKTVUDMOGJO-UHFFFAOYSA-N 540.758 8.221 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1I 2053623208 LLVOHDTVRABNKK-UHFFFAOYSA-N 668.023 5.511 50 10 KKGE O=S(=O)(c1cc(CBr)oc1Br)N(CCC(F)(F)F)Cc1ccccc1 2059265288 SIDNOJGOHPQMDZ-UHFFFAOYSA-N 505.150 5.080 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2csnc2Br)c1Br 2081063466 ZURZVPJXHMLFSZ-LLVKDONJSA-N 518.894 6.532 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1C 2082883123 DNAKRKCOWOIZCW-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCCO1 2085497454 WQSSMSJVZDPAJZ-PRHODGIISA-N 526.288 6.586 50 10 KKGE O=S1(=O)CCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469304 UNHRQJPFMNITIP-WRWORJQWSA-N 560.327 5.594 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1c(Br)cccc1Br 2150488061 LKTMQOJJYXFZRJ-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE Cl[C@@H](c1cccc(Br)c1Br)c1c(Br)c(Br)cc(Br)c1Br 2206394520 HOTVYQHWDSCRNB-ZDUSSCGKSA-N 676.060 8.590 50 10 KKGE CCc1ccccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404927 ZXZRYOIIIPENHI-OAHLLOKOSA-N 546.322 7.627 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)Cc1ccccc1I 2206579305 LQDGOZSTQQUAOW-AWEZNQCLSA-N 510.007 6.049 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232511644 QWLVMWHSEGMIPT-NSHDSACASA-N 542.707 8.310 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cccc(OCc3ccccc3)c2)c1 2263516439 BZNFNOXDJUFZFO-OAQYLSRUSA-N 525.078 7.469 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2296507204 YETCTZWCEFDZQW-NDEPHWFRSA-N 509.675 6.711 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296540342 WDYRAZWNIWIXPM-UHFFFAOYSA-N 532.065 6.956 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccc(F)c3)cc2)cc1 2297710547 RJYAFZKHZVDUMQ-UHFFFAOYSA-N 550.590 5.032 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 2313670566 GJBAAQSPCKEENN-UHFFFAOYSA-N 556.254 6.023 50 10 KKGE CC(NNC(=O)c1ccccc1Br)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2313682553 FXHUBTZHTUBTSJ-UHFFFAOYSA-N 532.423 5.018 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2313738409 BHJAWNBIUQFWQD-UHFFFAOYSA-N 526.332 6.065 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)CC1 2314433895 WRGFEUDETKVIIG-UHFFFAOYSA-N 634.718 5.216 50 10 KKGE Clc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314444797 ONXWXBBPEBVBAM-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591737 CPDCYNIJEYRLHB-RUZDIDTESA-N 552.483 6.766 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593188 JBCZRHACXNNOFY-RUZDIDTESA-N 536.484 6.298 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593234 JYFFQTAPMKDLQM-AVRWGWEMSA-N 518.038 5.652 50 10 KKGE CCCCCOc1ccc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 2314616852 LCLHYCADGQXGDG-UHFFFAOYSA-N 518.610 5.116 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314619556 BHOFAYRGDLCRLS-UHFFFAOYSA-N 532.575 5.788 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640691 NLXKORXWIOOIKY-WJOKGBTCSA-N 638.334 8.716 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2331335894 WEFJDYKFMYWCLT-NSHDSACASA-N 505.777 6.215 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 2331350711 NNDCWNPOYGIPIC-QUCCMNQESA-N 501.652 6.519 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331362708 NEPNSRIACWLCTP-HOCLYGCPSA-N 514.434 6.528 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1OC 2331453312 CDALDFCOOBYQNN-UHFFFAOYSA-N 511.485 7.732 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCCC2)c1Br 2357682119 FSHNSVNWDRHNAO-UMNHJUIQSA-N 549.992 8.078 50 10 KKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358264506 IWOYEFILMLIAEP-RHDOQTFYSA-N 558.280 7.308 50 10 KKGE Clc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(I)c1 2365598141 ODTFLDVUUXIFOS-AWEZNQCLSA-N 575.409 5.968 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2369221728 QNJXMKSZRPMODP-WFEFGEHDSA-N 552.370 8.089 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 1471921 KJYDUCRDQDTXSW-RUZDIDTESA-N 538.069 5.794 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 11852120 MDYDWOVFXAQJQY-DHDCSXOGSA-N 514.821 7.500 50 10 KKGE Cc1c(Br)cc(NCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1Br 33154841 VTMIEQNDMMECHI-ZMFRSBBQSA-N 517.221 5.875 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 33762684 VRBCIPLXKPHELE-JXAWBTAJSA-N 515.367 5.412 50 10 KKGE C[C@@H](Cl)C(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 35706277 GGQGOUBKDBWQME-WZONZLPQSA-N 522.030 5.495 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1 38656993 CUGPJDGZTWKZCE-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2OC)cc1 48573478 VDJWTHRKWAHJSR-AJBULDERSA-N 502.611 6.155 50 10 KKGE O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)OCc1ccccc1 95828170 GZYRPVGTNHFDCN-UHFFFAOYSA-N 501.363 5.748 50 10 KKGE Cc1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 100061556 QBFIAONFKQSBNN-UHFFFAOYSA-N 601.089 5.041 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 100272749 JMVVMDGQNYOPBF-SFHVURJKSA-N 550.519 5.128 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 101012284 STAIKQIWZZFNFD-DXJNIWACSA-N 549.627 6.904 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246717 SBJBAZXDWXOQCR-KHEHCGDESA-N 541.673 6.282 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101307488 VKWIRYQZYITHHA-NDEPHWFRSA-N 557.002 6.714 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101335303 WVXLDOXUYBETDK-RDRPBHBLSA-N 562.601 5.496 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 101374249 GTWVKXVVEBMAFW-AREMUKBSSA-N 539.415 6.474 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380705 WPOXOLIHAMTOGK-WSABREJXSA-N 587.434 7.548 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101389366 SSMMULSWOZDCSQ-YTTGMZPUSA-N 611.582 5.914 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2cc1C 101398511 AEYWIDRIYPTARM-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399274 KGVOMTADHBHABS-IOWSJCHKSA-N 597.023 5.891 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101491163 VDEIMHHUIMNPOK-UHFFFAOYSA-N 518.144 5.264 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)o2)cc1 101518912 GFRJDSVOUIJIDA-MOHJPFBDSA-N 569.639 6.087 50 10 KKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 101615796 LZFQKYLURNEVTM-MTDXEUNCSA-N 522.355 5.490 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCCC(C)C 101802628 ADJDEVGOCKUKDT-GDLDTBNBSA-N 532.036 7.465 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789457 FJYPDGDCBVXKLK-CJLVFECKSA-N 536.857 5.937 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc(F)c1 103796396 IIVALBHYBLXYKX-FDALDRLYSA-N 582.075 7.987 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OC 103877187 RHLBESZEYUCHDG-KCSSXMTESA-N 590.474 5.930 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150419900 OOCPOQUASBIDEH-UHFFFAOYSA-N 629.143 6.002 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 150431057 JDBMEGKGRNROSM-RDNGQCRJSA-N 734.372 6.991 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccccc1OCCc1ccccc1 150444772 MQSGDAYHOWRHIQ-UHFFFAOYSA-N 657.384 5.701 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150462242 RSYVOUWUJSLIOF-GDLZYMKVSA-N 637.903 7.680 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Br)cc1 164624316 CITQZAMJQYVKRS-KVSWJAHQSA-N 684.122 6.914 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214271735 QHRBESYPZFGGQT-YUMHPJSZSA-N 506.606 5.661 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 214337848 BVECAKUHOIUIAX-HEFLVWMHSA-N 574.656 7.211 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 228993427 FWRGYGZGUBOXAH-LBPRGKRZSA-N 533.905 6.919 50 10 KKGE C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 229711145 QSIKETLMFYAUIR-STAWNQIBSA-N 639.709 6.296 50 10 KKGE O=C(C/C(=C/c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C/C(=C/c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)[C@@H]1C=CC=CC1 229812792 RHAACQCPGMLCSD-RGJBKNHXSA-N 814.990 12.050 50 10 KKGE Cc1[nH]c(C(=O)NN=Cc2cc(Br)c(Br)o2)c(C)c1C(=O)NN=Cc1cc(Br)c(Br)o1 252594152 BPXPPDCMVHFULO-UHFFFAOYSA-N 682.949 5.395 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(O)ccc2ccccc12 252612287 IRQNGXJHGLBBDX-QGZVFWFLSA-N 521.046 5.219 50 10 KKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc3cc(OC)ccc3c2)cc1 252630114 UUXNLGPMLNJEBK-NCZGQJPLSA-N 507.590 5.558 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C\c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 254303061 DEKUVERXWRDRCO-DFISEUOBSA-N 593.572 6.265 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 254482508 SGZAHNUAIHEJRV-UHFFFAOYSA-N 622.681 8.071 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CI)CC[C@]4(C)[C@@H]3CC[C@]12C 254504547 UZTFVVKXFMOMLY-INSCYUFDSA-N 556.613 8.455 50 10 KKGE CCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254680252 XWQQMFORVFBSCK-UHFFFAOYSA-N 512.562 5.629 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2OCC)cc1 254702058 ONZYSPVMNQDCAT-UHFFFAOYSA-N 601.681 5.576 50 10 KKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1 254818838 DCAYYUFNTRDLSS-UHFFFAOYSA-N 507.569 5.591 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025162 POHNLKHHAZMWED-TYDHUNGHSA-N 644.617 10.491 50 10 KKGE O=C(NCCCC[C@@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21)OCc1ccccc1 309694864 DTQJKHKDHHTIHB-AREMUKBSSA-N 528.561 5.380 50 10 KKGE O=C(COc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1)NN=Cc1ccc(Br)cc1 606443244 JYMZCWFKKJKOMQ-UHFFFAOYSA-N 570.874 7.514 50 10 KKGE CC(C)(C)c1cccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725237269 CHAWBSJRTBJYOQ-JOCHJYFZSA-N 508.993 7.016 50 10 KKGE O=C(CI)Nc1ccc(-c2c3cc(Br)c(=O)c(Br)c-3oc3c(Br)c(O)c(Br)cc23)c(C(=O)O)c1 1073270376 FMBGTXKNPRVZKK-UHFFFAOYSA-N 830.843 7.392 50 10 KKGE Cc1[nH]c(C(=O)NN=Cc2cc(Br)cc(Br)c2O)c(C)c1C(=O)NN=Cc1cc(Br)cc(Br)c1O 1082989156 GEQOJIMMCVIIIX-UHFFFAOYSA-N 735.025 5.621 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc(C)c1 1083951008 XLFSUAVBABELPO-UHFFFAOYSA-N 583.732 8.231 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1083964310 LPKQQQZNQYJQGM-OALUTQOASA-N 565.677 5.676 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)c3cc4ccccc4o3)cc2Br)cc1 1083987273 FDILDGRGSOZVGC-UHFFFAOYSA-N 542.227 6.609 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cccs1 1084003572 COXPLIDXUULCHW-UHFFFAOYSA-N 667.104 6.063 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1 1084180231 WSKHUXXVTRHZIF-UHFFFAOYSA-N 647.161 7.792 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1CCOc1ccccc1 1084235373 LINRKZONJUZSNX-UHFFFAOYSA-N 627.357 5.671 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 1084243867 AXLLTPNWUZLTFY-UHFFFAOYSA-N 524.857 5.767 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]1 1084303983 VVIMUOMYRKHRSC-UHFFFAOYSA-N 634.855 5.502 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084341823 FZPTWOHIPXMIOU-UHFFFAOYSA-N 613.279 6.738 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 1084363904 KFWVNHCCJVXEPE-UHFFFAOYSA-N 708.369 8.302 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccc(C)cc1 1084480567 ITPLMEDWAQQPGG-UHFFFAOYSA-N 633.092 6.429 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(OC)c2)cc1 1084586958 PZORYNYPCOWNJA-DEOSSOPVSA-N 588.442 5.241 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 1565536334 ZKUCDSCKSARUCE-QLQITFSASA-N 826.968 15.850 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744734 ISGUQYUXSOSJIG-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746417 FKLZDNIFLHQJHC-UHFFFAOYSA-N 501.768 5.122 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2 1848440978 LAVNQRWLLQGEIB-BIKUUKBQSA-N 995.611 5.842 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 1865686104 QSUVBJNRSKCBJK-FQEVSTJZSA-N 508.236 6.716 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688415 RKLUQTXECCJPGI-LJQANCHMSA-N 563.374 5.652 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865693518 OTNWXBTXCURTEM-HHHXNRCGSA-N 536.632 5.931 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865701840 GOVHVWUXPRSLAR-JOCHJYFZSA-N 517.358 5.668 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865706979 KIWIXKXCQMKCJI-NDEPHWFRSA-N 544.486 6.791 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215327 OOYJHEHCGTVENM-PXLXIMEGSA-N 504.608 5.780 50 10 KKGE Cc1nnc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2cccc(Br)c2)o1 1867035358 VGXQLMJIEZAGRI-ZCYQVOJMSA-N 576.476 5.732 50 10 KKGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867079458 HGNISJDKFXMSGV-OAQYLSRUSA-N 569.684 5.168 50 10 KKGE CCCC[C@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867212074 MSEVWAAPLGVUPO-PKTZIBPZSA-N 516.505 6.466 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@@](C)(CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867222547 ZLBMEOOUFMYWSX-WNJJXGMVSA-N 536.097 6.757 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)nc(-c3ccccc3)n2)cc1 1868365490 QJUXUAAUFUGPHS-WJOKGBTCSA-N 529.644 7.752 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4nc5c(s4)CCCC5)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433171 GTRMWXLFVNMDGS-UHFFFAOYSA-N 559.164 7.833 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868456626 SCNUDEMNDYBUEU-SANMLTNESA-N 543.071 6.672 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(Cl)cc1Cl 1872727755 YBBCKSJZMFKKJH-GIJQJNRQSA-N 552.414 6.701 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1F 1872752667 NIFMLAIUWIGOLG-OZNYCYRCSA-N 509.584 5.168 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 1872781627 MYKCDQGDPZKUPM-FYJGNVAPSA-N 511.485 7.777 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)c1 1872791529 KPBHSEZJCRTOOZ-XQNSMLJCSA-N 512.631 6.912 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2csc(Br)c2Br)c1Br 1922911537 DHXKOKZDCJXFQX-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE FC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995047481 HPFUSLISUAHLIV-VIFPVBQESA-N 500.225 6.519 50 10 KKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2000490718 GUOTWZGNPLEZAM-RPDRRWSUSA-N 517.853 6.763 50 10 KKGE CCc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)s1 2029240651 ZFAVCPCFDGVTHD-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 2085497200 ZFXUXIYWTZYEEC-ZGVUKUBGSA-N 568.723 6.065 50 10 KKGE CCC1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085499037 QYTSEKCDDRYQQI-UAAUVXIDSA-N 568.767 7.609 50 10 KKGE CCN(c1c(CBr)ccc(Br)c1Cl)C1CCN(Cc2ccccc2)CC1 2098116764 JXPREAZHJNRIEF-UHFFFAOYSA-N 500.706 6.488 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C1CC1 2123246477 MMUJHZKPSSAIIP-OAHLLOKOSA-N 501.284 5.642 50 10 KKGE FC(F)(C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2128819001 WMXNBWMEPLBHQL-VIFPVBQESA-N 501.456 7.578 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2nn(C)c(Br)c2C)c1Br 2138869786 CVRKUEPTYRRJFC-LLVKDONJSA-N 515.869 5.809 50 10 KKGE Cl[C@H](C[C@@]12CCC[C@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2141467640 ABPOVOJTTROOQB-WLGBHJCYSA-N 536.327 7.597 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@H]32)c1Br 2141468497 KLHDTQIGVBEZGB-BMYQGPEFSA-N 580.778 7.609 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sccc2Br)c(C)c1Br 2220159537 WEKGGZMBTKBUJW-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2232159768 ASANJSOGGHVVNW-QMMMGPOBSA-N 528.318 7.912 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(I)cc1 2263519730 VSZAQJBVMGKZLL-CQSZACIVSA-N 500.399 6.339 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c(C)c1F 2279138580 ZWNXTAWVZVVQOS-CQSZACIVSA-N 529.867 7.214 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296049212 IPUKQWDDESHUND-VWLOTQADSA-N 502.039 6.276 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)Nc1ccccc1 2297369386 WUACSBSTBGCYQU-UHFFFAOYSA-N 512.547 5.809 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 2313567241 FBYLNQHSYAGBHZ-UHFFFAOYSA-N 670.288 7.482 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)nc2ccccc21 2314415026 UZEKZTOMPNTJMZ-UHFFFAOYSA-N 542.042 7.723 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)sc2c1CCCC2 2314482554 NYXAUBVHZAELMY-HKBQPEDESA-N 600.744 7.705 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314617760 AFLSPDZYODCXIB-UHFFFAOYSA-N 607.110 6.791 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1Br 2314634324 CPEAIVUUDVGCCJ-XMMPIXPASA-N 507.771 5.939 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634711 CCQJPUIQXIHIIB-PMERELPUSA-N 545.035 6.755 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 2314793423 RWGMNVILDYLBCT-UHFFFAOYSA-N 514.647 6.805 50 10 KKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(I)cc4C)cc3)sc2c1 2325409394 IMBRSBVUOAUBBA-UHFFFAOYSA-N 550.425 6.643 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc(O)c2cc1OC 2331044423 GPTFCLLNFRVPBT-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 2331286846 QEPZKZCIOJGXCA-UHFFFAOYSA-N 500.486 5.229 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1 2331474413 FSWMVCXTXLRYFS-UHFFFAOYSA-N 500.067 7.871 50 10 KKGE Cc1c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc(Cl)c1Cl 2339051955 FLPHQAHQPQZBSK-FQEVSTJZSA-N 515.072 8.128 50 10 KKGE CC[C@H](Br)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349823915 HETOZWFEIRILPA-WFASDCNBSA-N 501.044 5.582 50 10 KKGE CC1(C)[C@H]2CO[C@]1([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2359853301 ZEESMBXRAFKVQM-UHYRQXHGSA-N 552.326 6.832 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362225654 UVYPSLZRXILHBV-LBPRGKRZSA-N 552.834 7.245 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2cccc(Br)c2)c1Br 2362229053 HVEULFMOMBLKTK-VIFPVBQESA-N 550.285 7.445 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)c(Br)c1 2365222768 GWFSFISORVDKML-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE Cc1cc(OCc2ccc(I)c(Br)c2)cc(C)c1CBr 2377253423 KTPJIDFZNGCKOJ-UHFFFAOYSA-N 510.007 6.144 50 10 KKGE CCn1nc(Br)c(COc2c(Br)cc(Br)cc2CBr)n1 2379957943 KXXHGPJWHNBNER-UHFFFAOYSA-N 532.856 5.059 50 10 KKGE Clc1ccc(I)cc1C[C@H](CBr)Cc1ccccc1Br 2380515760 TXALZEIWLMJRJW-LLVKDONJSA-N 528.453 6.503 50 10 KKGE O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl 2440213 PDTHUFLUDMJBIS-LICLKQGHSA-N 528.870 5.089 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl 33481688 FVJQECCDYVHVBY-BOPFTXTBSA-N 513.337 5.398 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 38656000 KQTOHLSEJNAVTH-RUZDIDTESA-N 509.389 6.610 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 39993048 BYUUEWQIKZMAOU-CJLVFECKSA-N 522.561 5.134 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814634 NDIUZZYCZDTJSN-OVVQPSECSA-N 516.337 5.422 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823116 GUIUGQJPSULSPJ-ZTKZIYFRSA-N 518.367 5.588 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1OC 97914300 HCCOKVTZVPBHBB-VWLOTQADSA-N 507.458 5.157 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 100225379 JOTBLCCANFJBQP-AMVVHIIESA-N 563.485 5.594 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C1 101014653 XEIMDICQGLNRNX-UXOBJBFUSA-N 572.712 5.298 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034133 FWZGELIOYCWZFA-MHWRWJLKSA-N 524.907 7.913 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101303391 VACSZBGAZBICKK-MWAVMZGNSA-N 600.675 5.956 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101336953 CVKTVDLQHKSHDV-APWQXFQUSA-N 550.659 5.735 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101338047 IZFIXULRKGUAFT-OVVQPSECSA-N 573.609 5.681 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101338859 XFODTAORSPXAAA-PCLIKHOPSA-N 551.603 5.771 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339686 YGYNMXQNFHOICA-AJBULDERSA-N 614.702 7.020 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1Cl 101366548 CZVYYRGJGLUWJG-XMMPIXPASA-N 541.387 5.847 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380346 ATNGGUPFHQZKLB-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101387742 BBBHOCCBBYUQII-HKBQPEDESA-N 577.593 6.318 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101392804 WWOIHQQNQZPVGU-JOCHJYFZSA-N 553.423 6.663 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101396492 GSRJXSAWUPXPME-MHZLTWQESA-N 559.087 7.870 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(I)c1O 101727315 OUSKHZQPAIFRCE-GZIVZEMBSA-N 559.838 5.025 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 106548946 YUFWIKXMGSNVIM-XFFZJAGNSA-N 517.679 5.725 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1Br 109844727 WDACYRHCORILQT-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE COc1cc(C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)ccc1OCc1cccc(Br)c1 150413901 HFKKYYPKFYBDSB-VTNSRFBWSA-N 624.329 7.142 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461457 HODCJRWDBYHRBU-MUUNZHRXSA-N 663.966 8.886 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1OCC 150485864 KJHDOVLZVJDUKD-BOIGNWRNSA-N 663.837 7.187 50 10 KKGE CC(=O)n1c(SCC(=O)Nc2ccc(SSc3ccc(NC(=O)CSc4nc5ccccc5n4C(C)=O)cc3)cc2)nc2ccccc21 164129894 GHNKJAJJALRQBZ-UHFFFAOYSA-N 712.904 7.967 50 10 KKGE COC(=O)C1=C(c2ccc(CCCO[Si](C)(C)C(C)(C)C)cc2)C(C)(C)CN(C(=O)OC(C)(C)C)C1 204289652 YESLJGUMFVPBCF-UHFFFAOYSA-N 517.783 6.845 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214216376 ZDLPIVZZDMEYMH-IMRQLAEWSA-N 508.622 5.966 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1Cl 224654551 UKRQFXMMCAPEKW-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(CCc1c[nH]c2ccccc12)C(=O)CCl 230275274 JCFWCPUOXNUXOZ-LZECLLPCSA-N 500.470 5.867 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(I)c1 236169120 MSXCSNHMGRXIIL-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(F)cc1 254705076 MZDUWYDSBYOHEH-QGZVFWFLSA-N 600.461 5.254 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1 254708123 XDNOYMIXEOBEJC-UHFFFAOYSA-N 512.658 6.382 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254852700 KYDSYVLGCWCDEQ-UHFFFAOYSA-N 530.580 6.167 50 10 KKGE COC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)sc2c1CCCC2 256018982 DPXOPWMOJFQSHP-RYGJVYDSSA-N 598.195 6.038 50 10 KKGE C[C@H]1CC=C(C=O)[C@@]2(C)CCC[C@@](C)(C[C@H]3O[C@@H]4O[C@@]5(O)[C@H](O[C@@H](C[C@@]6(C)CCC[C@@]7(C)C(C=O)=CC[C@@H](C)[C@@H]67)[C@]56CO6)O[C@@]4(O)[C@@]34CO4)[C@@H]12 256447891 UXKREJHATGOFIH-VPWDYQRMSA-N 696.878 5.134 50 10 KKGE Cc1ccc(Br)cc1COc1c(Br)cc(CBr)cc1Br 313701227 JCPZZBJMNUJPDY-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Brc1cc(Br)cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 394657689 AWJYCXUVWDRPMN-CRAIPNDOSA-N 535.061 5.862 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504081789 UAMJDBHGEBLGGF-IFGRMLDDSA-N 579.773 10.898 50 10 KKGE Cc1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3cc(Br)cc(Br)c3O)cc2)cc1 725381850 QDDWJLQTPXZYDO-UHFFFAOYSA-N 531.204 5.242 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725443886 CMPVVVYZWVCOBM-XCVXUIKGSA-N 539.701 6.462 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1083941351 DGJSVOLHMSIFHH-UHFFFAOYSA-N 575.352 5.266 50 10 KKGE COC(=O)c1ccc(Cl)c(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1 1083991771 XNCAHQISPLHKTH-UHFFFAOYSA-N 538.003 6.917 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1 1084002591 FYYHWXKWHIGSRH-WJOKGBTCSA-N 560.094 6.689 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccccc1Cl 1084019550 ZJZQUBAETSXJGK-HHHXNRCGSA-N 507.030 6.010 50 10 KKGE O=C(CSCc1ccccc1Cl)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084057120 RLPKGPYFGTUXBD-UHFFFAOYSA-N 526.061 6.230 50 10 KKGE Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 1084129824 WICOJJURGMRYBN-UHFFFAOYSA-N 523.552 5.101 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Br)cc1 1084294099 LNSXBECTWSYPMX-PXLXIMEGSA-N 566.883 5.946 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 1084431520 LLNUWCZAGONQPT-HSZRJFAPSA-N 555.425 5.119 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084438701 KVVFFQKLIQPCFZ-LZYBPNLTSA-N 615.138 8.586 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 1084483362 RPYUDUYHHROWRG-UHFFFAOYSA-N 512.360 5.326 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Br)cc1 1084489139 FTVLCRLYUFLKOL-KGENOOAVSA-N 586.313 8.008 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 1084581973 PZUWJAQMNGEWGG-JOCHJYFZSA-N 502.354 5.445 50 10 KKGE CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 1614653193 QESRWSUPMHBDLQ-RGRZXYTLSA-N 523.702 6.676 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 1614694621 PYESVRNEJCYLGF-WMLDXEAASA-N 524.162 6.119 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744588 XKDHZPZMZRUSBH-UHFFFAOYSA-N 548.426 7.410 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683664 HQTAVLTXMDUGFT-RUZDIDTESA-N 541.449 6.205 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865685237 GHCRHQSLEQTEAP-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865691645 XGDXSZFUCGNTOX-LJAQVGFWSA-N 550.659 6.321 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865694986 HFUMUWVHWNQGOL-JOCHJYFZSA-N 506.484 5.670 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865695144 LCLWFRHZFRMFBA-HHHXNRCGSA-N 547.442 6.602 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698339 QJLVZGMBOPEVPD-QFIPXVFZSA-N 557.876 5.924 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700697 BJAMECRFNWFPMD-VWLOTQADSA-N 503.389 6.285 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(Br)c2O)cc1 1865701424 VMFWMPSGJSFCFW-NRFANRHFSA-N 578.264 6.297 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865702245 QKEPGLNROAUVFU-SANMLTNESA-N 510.041 6.316 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704703 CEPXATJICWBLMJ-OAQYLSRUSA-N 571.342 6.635 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866756951 QLLACPRRXGABJD-AHKZPQOWSA-N 521.633 6.342 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1868231559 KSAWJIKWTLYXJD-UHFFFAOYSA-N 522.122 5.956 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)c1 1868433732 QIZNFKNQJQLTDM-UHFFFAOYSA-N 557.123 6.487 50 10 KKGE CC(C)[C@@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868434084 XLFYVXOKTIGGLN-RUZDIDTESA-N 502.047 6.597 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(F)cc2)cs1 1872752173 QCDSOOFRJGDKFS-NMWGTECJSA-N 501.926 6.353 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)CC2=O)cc1 1872758239 RBUDVSAROIAFMC-PVCXERSVSA-N 512.462 7.305 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791019 RASXPGWXTGCNDJ-YBFXNURJSA-N 525.432 8.216 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)ccc1OCc1ccc(Cl)cc1 1872794287 TZTQZFOVOZUEBU-YDZHTSKRSA-N 501.051 8.041 50 10 KKGE Brc1cc(CC[C@H](Br)COCc2ccccc2)ccc1I 1893242094 VAYYRYVUESTCNT-HNNXBMFYSA-N 524.034 5.967 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccoc2Br)c1 1899857545 QXURCRNGMBLRSK-QGZVFWFLSA-N 501.012 6.868 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2Cc3ccccc3O2)c1Br 1924596084 IZKQQVQMNMISPP-PSASIEDQSA-N 531.889 6.475 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)C1C2CC3CC(C2)CC1C3 1924600495 QRRRZGDAXXBYHC-NUJCPESDSA-N 503.525 7.388 50 10 KKGE COc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 1925602298 ZYJLHCDCLLUAIV-VIFPVBQESA-N 509.872 7.073 50 10 KKGE C[Si](O[Si@@](C)(O[Si@@](C)(O[Si](C)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1933252990 XQVNZAVBAUQQHU-ZLFVLTGHSA-N 683.117 5.774 50 10 KKGE Cl[C@@H](c1cscc1OCc1ccccc1)c1c(Br)sc(Br)c1Br 1939528989 RBJVXNJZJRNUBV-AWEZNQCLSA-N 557.554 8.004 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1scc(Br)c1Br 2024295742 UMACAQDFHKWGAO-JTQLQIEISA-N 524.297 7.126 50 10 KKGE COc1ccccc1NS(=O)(=O)c1ccc(C=CC(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 2042445820 ZOBBPPHHUKWPDS-UHFFFAOYSA-N 608.141 5.916 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1c2ccccc2cc2ccccc12 2080770730 LHDZLGWUAJVNNL-MVNOZWHVSA-N 585.753 8.886 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2nn(C)cc2Br)c1Br 2136366760 KZSZAIINGODTHL-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2c(Br)cccc2Br)c1Br 2150495679 YNVUIVLWNCVSEC-JTQLQIEISA-N 513.398 7.383 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(F)cc2I)cc1Br 2198737111 LVXLIDCCWSMIER-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2202997557 AALNAHSTXHHYCB-CYBMUJFWSA-N 550.843 6.853 50 10 KKGE Fc1ccc(Br)c(CO[C@H](CI)c2ccc(Br)cc2)c1 2206281269 ZEHUAKKIMHFULQ-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE Cc1c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)nn1C 2206394922 KITZCLDDGJQRKT-LLVKDONJSA-N 615.183 6.869 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCCC1 2206397804 MXTLIEGKHBFETN-AWEZNQCLSA-N 596.821 8.533 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206400167 PXWYOKFEIOXXJG-NSHDSACASA-N 659.605 8.123 50 10 KKGE Clc1ccc(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206405183 HFCJLHBGRMCLGR-LLVKDONJSA-N 566.740 7.913 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Cl)ccc1I 2218801210 RYPXAEVZBPULDQ-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2224305152 PXJVJRNSZRWNNC-MRVPVSSYSA-N 593.187 8.480 50 10 KKGE C[C@@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Br)c(Br)cc21 2234063584 BYLHKHTZATWGJI-JLTOFOAXSA-N 511.689 6.036 50 10 KKGE CC1CC2(C1)CC([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2259590858 VOLIREXRSALFPZ-RDTMWIIESA-N 521.938 7.298 50 10 KKGE COC[C@]1(C)C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2269314300 SJTDBNDQODKFNW-HZZNHICKSA-N 540.315 6.689 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2270461103 MNQMYEDNTYASIY-VIFPVBQESA-N 576.732 7.919 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277958209 BVUFBXAATAGTAI-ZDUSSCGKSA-N 515.840 6.792 50 10 KKGE Cc1cccc([C@@H](Br)c2cc3sc(Br)cc3s2)c1I 2278099183 CVAIWXGSYKLZIM-CYBMUJFWSA-N 528.072 7.123 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198210 JDUHCUFRBGUNBH-DEOSSOPVSA-N 540.447 5.918 50 10 KKGE N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12 2294171900 IFMMEECTSPBXBK-UHFFFAOYSA-N 520.467 6.153 50 10 KKGE COc1cccc(Cn2cc(C=C(C#N)C(=O)Nc3sc(C(=O)N(C)C)c(C)c3C#N)c3ccccc32)c1 2295737063 ZGXRGWUPJGDAOP-UHFFFAOYSA-N 523.618 5.187 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccccc3Br)c2)cc1 2296645056 VEAFWPDGXRWLHJ-UHFFFAOYSA-N 611.496 5.656 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296647301 NSAMCARAYVUIEJ-UHFFFAOYSA-N 657.433 5.226 50 10 KKGE Cc1cc([C@H](Cl)c2sc(Cl)cc2I)ccc1I 2300953397 IZJFWAJKMIFMPS-NSHDSACASA-N 508.977 6.247 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567487 KBCVDMQGWUWLBO-UHFFFAOYSA-N 586.917 7.090 50 10 KKGE Cc1ccc(COc2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1 2313567524 KZWMLJZQHCYUJM-UHFFFAOYSA-N 516.439 5.592 50 10 KKGE Clc1cccc(Cl)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314448261 GKKXJJAKLLBHNK-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314618642 QUJYVZDKNXVJGQ-GDLZYMKVSA-N 588.639 6.029 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314640630 FRPXGGZIIAFASQ-HKBQPEDESA-N 577.508 8.180 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)cc1 2331345456 MIJUYHKSPTXJEK-UHFFFAOYSA-N 504.696 8.428 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352334 JONBTOPRQSWRGI-UHFFFAOYSA-N 503.461 5.978 50 10 KKGE N#CC(=C(O)CCCOc1ccc2ccccc2c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358972 LFSXJZRDQZAITF-UHFFFAOYSA-N 504.611 8.407 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331402771 ONTLRNDHIABADL-QHCPKHFHSA-N 501.608 5.939 50 10 KKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331404663 WJJKTSBSRFHKNZ-UHFFFAOYSA-N 509.258 8.104 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]3C[C@@H]3CO2)c1Br 2333303430 CQHNZDGZGJBUJI-IXULNIHHSA-N 582.750 6.598 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccccc1OCc1ccccc1 2335371950 QWNKBPBZFXISLB-SFHVURJKSA-N 519.035 7.958 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)c(Br)cc1F 2338720571 SBVCBOXEGZKJMO-VIFPVBQESA-N 540.250 5.937 50 10 KKGE CCn1ncc(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362233577 BRMBYZKDAUWNGC-SNVBAGLBSA-N 509.826 6.311 50 10 KKGE CCOc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364235741 PRPUADYXFDMZKL-JTQLQIEISA-N 531.868 5.591 50 10 KKGE COc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1Cl 2365837461 DLOUGSFAPGPGAB-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C(SCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1 3052464 OYRDMYVABMFDPG-UHFFFAOYSA-N 503.451 7.673 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 6906911 GAJDCYZYKZQSQV-MTJSOVHGSA-N 555.011 6.904 50 10 KKGE CCOc1ccccc1/C=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br 12491355 RGMYVJBYBMNXST-WYMPLXKRSA-N 506.194 5.293 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 14640807 JSPMDAMKOWIDFY-UHFFFAOYSA-N 505.453 5.908 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14652990 OELORUKSDJMXQM-GFCCVEGCSA-N 504.208 5.019 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 35519142 YUVOIQMAUSHHAX-UKTHLTGXSA-N 501.917 6.976 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 38606765 RUEWOMBIHNMOEL-JFLMPSFJSA-N 515.573 5.044 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 38680054 ZFCCDKROLMXCJG-DEOSSOPVSA-N 509.389 6.610 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 38682689 SOCFVFIZMJOVAU-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 58894075 BQHSRSSLZHFPTH-LCVHJTKWSA-N 514.981 5.429 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 100186788 SEAHQHSWJRMFHX-UHFFFAOYSA-N 584.536 5.790 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100209277 QFQZXNRFZLURKH-UHFFFAOYSA-N 625.589 5.983 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 100232187 NHNPRSXZWOONFK-DQSWQQFISA-N 535.855 6.588 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243842 GKHHSMXFUCCSDF-MILRPWDDSA-N 539.701 6.512 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 101335975 MXMOQCQUHLJWTA-NLRVBDNBSA-N 526.662 5.670 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368641 NTCZRNRVIVHPOF-NDEPHWFRSA-N 544.604 5.719 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101372955 YUYFJETXMFNCMV-MHZLTWQESA-N 539.415 6.375 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101373688 TYUKANAAOYQZFG-XDBZFTIUSA-N 532.568 5.604 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCCC(C)C 101375034 GZJLSXDZUARRBH-HKBQPEDESA-N 556.659 6.330 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 101375312 JXNXASYAOUPVIE-JGCGQSQUSA-N 556.659 6.555 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384687 IOKFIOQFWLIIEX-VWKOYRGQSA-N 603.889 8.063 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)c(OCC)c1 101388344 BGODMDYUALQJMY-XIFFEERXSA-N 611.094 7.544 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101392798 WECPVDAFSZOCLL-XMMPIXPASA-N 533.005 6.318 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccccc12 101397991 GMDBMYFKFBSNJM-SSEXGKCCSA-N 597.454 8.064 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 101727457 IGCVSVWVIDWVEH-VFLNYLIXSA-N 586.964 7.356 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 103741350 VDQRILDYMGBLQD-CTHAODRQSA-N 541.982 6.101 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1Cl 103878161 VLMBDRXDBWQDQB-KVSWJAHQSA-N 548.220 6.854 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 105403296 VLDNOQKRCNACBJ-LGUFXXKBSA-N 528.587 7.112 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 111551385 AJAQKWMFKZGIDZ-AMACFTCJSA-N 562.686 7.052 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 150430526 MXPBDSHTDDTLKO-ULFANGQISA-N 657.332 6.548 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431992 QPODLBGVBPEQNJ-GDLZYMKVSA-N 661.538 8.762 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463055 ZLGBUUOHTNWBQQ-NDEPHWFRSA-N 732.856 10.193 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O[Si](CC)(CC)CC)C[C@H]1OC[C@]13OC(C)=O 195883477 BBYAQPUKLNVRCJ-NVCFCFSYSA-N 815.162 7.712 50 10 KKGE in-vitro Brc1cccc(C[C@@H](Br)c2cc(Br)ccc2I)c1 232476937 VRZDOVVKJDVBLA-CYBMUJFWSA-N 544.850 6.495 50 10 KKGE Clc1sc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 236044018 MYGPKSGMSNPRFJ-JTQLQIEISA-N 524.297 7.173 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)Nc3ccc(Cl)c(Cl)c3)=C2N2CCOCC2)cc1 245285973 ZUGPOUNCYHEYQJ-VQCPEGEWSA-N 542.511 6.411 50 10 KKGE CC(C)(C)c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 252611723 IMGLJLUGYOFZTN-UHFFFAOYSA-N 588.296 6.257 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccc(Br)cc2)n1-c1ccccc1 252628800 SYBISGQDWNIVRL-SFHVURJKSA-N 675.394 6.186 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 254714812 CRDDPNYMWFIYEN-UHFFFAOYSA-N 523.674 5.792 50 10 KKGE C[C@H]1CCc2sc(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)cc2C1 254792333 PMYWQBMZVWHNEA-QFIPXVFZSA-N 510.659 6.795 50 10 KKGE COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(N2CC[C@@H](CO[Si](C)(C)C(C)(C)C)C2)nc1F 504649129 POKUJHAYXYKFDA-QLBJFCOMSA-N 527.757 5.457 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584200 AQLURWHBCUUICR-UCVXKIKGSA-N 710.852 7.267 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 725428139 RUPVLFOTZJVBLO-UHFFFAOYSA-N 539.032 5.232 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725435669 OANZLDFKBQYHNP-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C)cc2)cc1Br 1083854003 JUSWBQJZLQRKSQ-UHFFFAOYSA-N 672.601 6.844 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 1083864690 ONCIQGGUWRFVLQ-UHFFFAOYSA-N 506.773 5.323 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1083900284 HPGXNDFZKWLPHB-UHFFFAOYSA-N 575.255 6.401 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(F)cc1 1083978443 RLUXDYLBIYNFKW-XIEYBQDHSA-N 560.467 6.151 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2c(Cl)nn(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1083979443 ZBMCMSGSNLBLEH-UHFFFAOYSA-N 586.501 5.150 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 1083992523 GWVVYKXLJJUTCI-UHFFFAOYSA-N 671.175 6.300 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084146923 PBZRLVQSYNSMKQ-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084261217 YEYDVSCDNSMDOT-HSZRJFAPSA-N 589.870 5.773 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(Br)ccc1O 1084619023 GDOWNNFPTJWXHD-GOSISDBHSA-N 506.194 5.378 50 10 KKGE CC(=NNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1)c1ccc(OCc2ccccc2)cc1 1084654778 VYGWPZWUEPEEEX-NRFANRHFSA-N 576.480 7.132 50 10 KKGE CO[C@@H]1C=C2[C@H]([C@@H](COC(C)=O)O1)[C@@H](OC(=O)c1ccccc1)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@H]2OCOCc1ccccc1 1307209393 PHRYVLYQRZHPOL-MHUNNFNASA-N 762.972 6.765 50 10 KKGE CCOC(=O)c1ccc(NC(=O)N/N=C2\c3ccc(Cl)cc3C[C@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1614360622 UXPTWWIDYLBNTH-FQNSCDHXSA-N 543.382 5.190 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743702 JMDQJHNYIRZMMX-UHFFFAOYSA-N 506.400 5.019 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2cc(Cl)ccc2Cl)c2cc(Br)ccc21 1772752392 DRUSLDVFPCLHGL-UHFFFAOYSA-N 513.219 5.192 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1 1772754975 DKWVPADYSGPPCU-UHFFFAOYSA-N 616.990 7.446 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688414 RKLUQTXECCJPGI-IBGZPJMESA-N 563.374 5.652 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688957 GEROZHQJOVQEQV-OAQYLSRUSA-N 549.812 5.888 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693726 QMCVBUGASPTIPK-PMERELPUSA-N 540.623 6.654 50 10 KKGE CCCc1nn(C)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705578 ZLCDBYOXANLQIO-NRFANRHFSA-N 513.381 5.125 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)sc(C(=O)OC2CCCCC2)c1C 1866130524 ZHQJWEUOTRLLEF-QGOAFFKASA-N 526.611 5.286 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866690230 QVABLTHRSMZXFT-IZLXSDGUSA-N 524.621 5.486 50 10 KKGE C[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946126 LGBMTNYILNBIPE-WAIKUNEKSA-N 526.431 5.631 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867069111 LYLHCKTWTZCHOH-SANMLTNESA-N 576.744 6.512 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867084535 HIPYJSMORWGAGN-SANMLTNESA-N 559.692 5.148 50 10 KKGE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867139661 DSPURJNAYKGDJA-ZCYQVOJMSA-N 522.070 6.367 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868253945 YWXOXBXWYDTJLD-QHCPKHFHSA-N 507.063 5.055 50 10 KKGE CN1CCN(CCN(c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)c2ccccc2Cl)CC1 1868341948 FEPSDAJMQAYPCV-UHFFFAOYSA-N 536.149 6.130 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)c1 1868433150 GEHREUBHBACMIY-UHFFFAOYSA-N 542.108 7.724 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 1872754629 BOLFHYMDUCYJII-NNLSSIJJSA-N 519.848 7.112 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 1872782924 XDSGEZLVGMHKHN-LZYBPNLTSA-N 500.374 6.342 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(I)c(Br)c1 1893242014 UKJYCVLBQMLPPO-GFCCVEGCSA-N 563.027 5.046 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2csc(I)c2)c1 1899892787 MLOLMCJLZVBPLO-SFHVURJKSA-N 564.080 7.179 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 2003558470 VQLVKCUGJNUCRW-JTQLQIEISA-N 524.297 7.173 50 10 KKGE C[C@H]1[C@@H](C)[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780018 NWBWSQCDHWYBEL-RUPFFVNYSA-N 510.289 6.919 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2053588932 DIMYHZDULFSWLS-VVIFMVOYSA-N 641.142 11.150 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2069526936 DIMYHZDULFSWLS-JBSQKODLSA-N 641.142 11.150 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094672582 ALEUZAMNQFDDMI-CYBMUJFWSA-N 576.917 7.239 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(I)cc1 2138241783 GUFVUIYIZKFZSG-CYBMUJFWSA-N 516.398 6.200 50 10 KKGE C[C@H]1OC2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC1C2 2141475532 OLIGGDKHOSFMRF-MGYHHOBMSA-N 582.750 6.740 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1ccc(Br)cc1I 2142287656 FNELZXKUCTXIKJ-SNVBAGLBSA-N 550.016 5.167 50 10 KKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCCC[C@H]1Br 2172539595 LGAOYCVZSUPXFJ-RISCZKNCSA-N 515.027 5.222 50 10 KKGE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(CBr)sc2Br)C[C@@H](C)N1Cc1ccccc1 2179785104 HURNZOBMNHALIG-QLFBSQMISA-N 536.355 5.078 50 10 KKGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)cc2Br)CO1 2179858974 WKMYSAWFDQNCOY-QGZVFWFLSA-N 517.283 5.102 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2182022544 TXYALSVXUZTKRD-SVNSUYFQSA-N 565.869 6.829 50 10 KKGE CCC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206394479 HCQOCCCQXHZOJV-TVQRCGJNSA-N 598.837 8.635 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206397314 HVDLVUPPVWUWAC-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE CC1(C)CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398130 RFIJALQLXSRKMW-RMLUDKJBSA-N 552.370 8.233 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2213776260 YTTWZPXRTYIKJT-ZCFIWIBFSA-N 544.353 7.543 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cscc2Br)c(C)c1Br 2220156502 ORIPCDYACQUPCS-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cn(C)nc2Br)c(C)c1Br 2227349399 CFOWKIVJYHMIPP-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)c(C)c1Cl 2232511788 RCTNCBFTLZAJFV-CQSZACIVSA-N 546.322 7.729 50 10 KKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1I 2256338590 JNRYYLGMSXJIBV-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288348107 BNICFQAYNJBBPR-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 2293202206 WLPOBNHBKJXZNI-UHFFFAOYSA-N 524.484 7.001 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 2294171981 PLFVQVOVDCJHDF-UHFFFAOYSA-N 511.419 7.289 50 10 KKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295187832 ZASDJWOSKQINDX-UHFFFAOYSA-N 506.911 7.637 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccco1 2296706737 MHGANUITPCINQO-UHFFFAOYSA-N 518.548 6.074 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(CCCCl)C(=O)N(C3CCCCC3)C2=O)cc1 2297454694 ANLBBGSPMGOOOB-UHFFFAOYSA-N 503.083 6.562 50 10 KKGE CCN1CC(=Cc2ccccc2Br)C2=C(C1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504904 QNVVTVBFHJPOJL-JOCHJYFZSA-N 527.260 5.692 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2297534052 LSSKLGJPVWNKKK-UHFFFAOYSA-N 538.354 5.586 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591874 GQAHDIHZHRCXSM-MUUNZHRXSA-N 509.675 6.746 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314591935 IAHNYORCJHHLPT-AREMUKBSSA-N 516.066 6.837 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCCCC)cc2)C(C)=C(C#N)C1=O 2314617374 XBFCIKGDSZBTNM-UHFFFAOYSA-N 520.633 6.277 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 2314643309 PRGIPHMHSYPLJN-XIFFEERXSA-N 562.597 6.559 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646667 INABXHIOXJUFLQ-NDEPHWFRSA-N 664.809 5.967 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 2314737562 XDDGJIVHCSAXBF-UHFFFAOYSA-N 512.606 5.439 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2nscc2Br)c1Br 2315451864 VBYNXFDRNYRQNV-MRVPVSSYSA-N 543.275 6.707 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NC1CCCCCCCCCCC1 2325471623 KTZMTXBSOLHGMZ-UHFFFAOYSA-N 512.742 6.591 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 2331245980 OPEWJUWXSPKDKW-SANMLTNESA-N 505.599 6.073 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1 2331402003 CYNZRQSRHWUNIJ-VIFPVBQESA-N 502.242 7.201 50 10 KKGE Cc1nc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339656756 QRMCENGPQWBKFA-VIFPVBQESA-N 536.884 6.671 50 10 KKGE Brc1ccccc1[C@H](CI)OCc1cccc(I)c1 2341622228 CLNTZOZTSYYYEO-HNNXBMFYSA-N 542.980 5.747 50 10 KKGE Cc1cccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360425254 ARXUVJNFFYVWAU-NSHDSACASA-N 552.834 7.292 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)c(C)s2)c1Br 2365186028 MUWDGHMXMAPEKT-ZDUSSCGKSA-N 503.481 6.989 50 10 KKGE Fc1cc(CBr)c(OCc2cc(I)ccc2Br)cc1Cl 2367520138 QEGFSYWBQIWMOC-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE Fc1cccc(C[C@@H](CBr)Cc2ccc(I)c(Br)c2)c1 2377351240 AZRVDIJTKHQYSS-CYBMUJFWSA-N 511.998 5.989 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1Br 14640787 SAIBZIDZMJCESU-SFHVURJKSA-N 505.453 5.762 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1CN1CCCc2ccccc21 20615916 RJKAVAUWUAHGHS-PCHPKZPRSA-N 512.437 5.872 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)n2)cc1 33568802 YXAWPVYPQKRUFB-NWVGGYJISA-N 522.677 8.538 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 40948483 JZFFRNGSCMDFKN-KGENOOAVSA-N 522.985 5.546 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc2cc(Br)ccc2o1 41007455 XDEOBSCYRXFPJQ-VCHYOVAHSA-N 508.755 7.141 50 10 KKGE N#C/C(C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)=C1/Nc2ccccc2S1 51011839 YIAHLRKHNLBEFZ-HKOYGPOVSA-N 522.577 6.718 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 59474957 XOBHCJYZLYGKGQ-WSDLNYQXSA-N 505.412 6.508 50 10 KKGE N#C/C(=C/c1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1)C(=O)NCCc1ccccc1 96438855 UGSAYTYRAXRXBM-JWGURIENSA-N 501.417 6.171 50 10 KKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915115 SYUNGKJYLKKBPV-YWEHKCAJSA-N 529.077 5.263 50 10 KKGE CC(C)CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212893 OHPMXLMSTIZCLB-UHFFFAOYSA-N 597.535 5.005 50 10 KKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 100419201 VGENNNDZSOOXQO-HKWRFOASSA-N 505.384 7.058 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 100452161 WEQCORSASGDDSF-MGCJZSHXSA-N 564.249 5.894 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)c1 101245854 VIKNJHWIXPEPMS-IEQIIXMPSA-N 535.591 6.696 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246289 HECFKVKLGCOXAY-RAMZYJDASA-N 586.035 7.131 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc2ccccc12 101366085 PWWXXDBCRYNPLF-MHZLTWQESA-N 527.374 5.805 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101368030 HVYBTPQVNNIFQL-LJAQVGFWSA-N 559.575 5.375 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101372229 KMGBHWSBVRJRCN-KEEVHDRGSA-N 560.622 6.384 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccc(Cl)cc5)ccc43)cc2)cc1 101378922 RABMDZMQWJUZMU-WJOKGBTCSA-N 537.015 6.594 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5Cl)ccc43)c2)cc1 101382079 SDTPWSHNLDQOGT-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382911 WFAHSRZVYQHINH-YTTGMZPUSA-N 581.068 7.391 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383486 VEZJONYSSMHTPD-PMERELPUSA-N 553.014 6.755 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385478 XEEFSFBEXCSPIN-YTTGMZPUSA-N 562.622 6.419 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385705 NHHWUYUTHUYYOT-JGCGQSQUSA-N 599.039 6.139 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101387696 DWPXTGMVPGVDRN-MGBGTMOVSA-N 607.619 6.084 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)cc1Cl 101392751 YVCKYHNWJPEPIM-SANMLTNESA-N 569.441 6.627 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101395110 VHYFUFSBPQFOLB-HHHXNRCGSA-N 573.443 7.120 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1 101397181 DCWKMTZGPCMNRA-PMERELPUSA-N 536.628 7.528 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399149 DRIDHEXSTWGWCF-CONSDPRKSA-N 597.023 5.891 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 101713646 LGZAXLHYXVWVDU-DPNNOFEESA-N 581.551 7.280 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cccc1Cl 102006858 VFYIJLOHHLOKCW-XODNFHPESA-N 529.449 6.090 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1 102664410 PGEIBXPVYVLLBB-ULJHMMPZSA-N 538.625 6.725 50 10 KKGE CC(C)N(C(=O)CS/C(Nc1ccc(F)cc1)=C(/C#N)c1nc2ccccc2s1)c1ccccc1 102930978 HSZFSGLYGVYPBZ-ROMGYVFFSA-N 502.640 6.914 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433862 PEQXSARIIUYTQD-SSEXGKCCSA-N 712.438 9.930 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1Cl 150441748 KJYAMPTZRBEKGH-SANMLTNESA-N 755.265 9.787 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150478027 PORZHTQPNWQGOL-HKBQPEDESA-N 684.403 9.495 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484742 ISLFGTLWSDMAMF-LJAQVGFWSA-N 652.328 7.781 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3cccc(OC)c3OC)cc2)c2ccc(C)cc2)cc1Br 164603433 BWGLVUNQWUVNSJ-HNSNBQBZSA-N 652.567 5.943 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 164609962 KYOKXDKLIWAHJA-PNQUVVCRSA-N 688.143 7.848 50 10 KKGE CC1(C)O[C@H]2O[C@H]([C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@H]2O1 195771341 AXEKMGCVLKEUAT-LLXYUCGHSA-N 587.749 5.344 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776030 FVVFWHBITAMEQO-KIGAZIMASA-N 660.796 6.415 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214278119 MCRQJBPCWZKCNK-VEILYXNESA-N 528.612 6.039 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214362801 PQLIBEULYFZSTR-COEJQBHMSA-N 548.687 6.889 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C(C)C)ccc3C)cc2OC)cc1 254628446 YPGUYPIADVICAQ-UHFFFAOYSA-N 504.583 5.274 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1cccc2ccccc12 254844489 AYPJLTNSAGKPQY-UHFFFAOYSA-N 524.671 5.722 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC)c1 254879746 POHHJJTXGRWKOA-UHFFFAOYSA-N 509.647 5.402 50 10 KKGE CC(C)(C)[Si](OC[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)(c1ccccc1)c1ccccc1 504523216 FTCJOOMHYRJOAM-PSWJWLENSA-N 590.792 6.407 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616591096 WUUPISRMPWBNRI-QXIFGPLGSA-N 744.913 6.611 50 10 KKGE BrCC(CBr)(Cc1ccncc1Br)c1ccc(Br)cc1 702866368 UELTXHJBSLQTHH-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCc1ccc(CC)c([C@@H](Br)c2ccc(I)c(Br)c2)c1 721572113 KFCSBEATMYPDOU-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3ccc(I)c(Br)c3)ccc2O1 721573838 SUCJFQKGTXBDNX-FVMDXXJSSA-N 507.991 5.861 50 10 KKGE Brc1cc([C@@H](Br)c2csc3ccccc23)ccc1I 721613408 LUUSDDKUMAEDJC-OAHLLOKOSA-N 508.016 6.753 50 10 KKGE O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237675 LNTFMZLQNDEQSD-RUZDIDTESA-N 550.046 5.861 50 10 KKGE O=C(NCc1ccccc1)OC1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238767 PQMDTVMDJLOGEZ-RUZDIDTESA-N 594.055 5.997 50 10 KKGE CC(=NNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725413644 RLRKPEBGJWUMEW-YIIWZEITSA-N 546.668 5.267 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 725413660 ATABLXJUEAVUSV-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(F)c1 1083906182 RQNGFBLZEAKDGA-UHFFFAOYSA-N 533.603 6.943 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1083995793 AFZJVXRDTXNIRC-UHFFFAOYSA-N 570.650 5.783 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(C)c1 1083997967 CVJWEFQCZBAXIT-KOEQRZSOSA-N 516.041 5.882 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1 1084044939 FXWVIHGDQCDJCO-UHFFFAOYSA-N 615.265 6.871 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084351730 GPXBFCRQFWYOSC-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccccc1 1084443705 IUFSIEWMEUHJRA-UHFFFAOYSA-N 506.365 5.094 50 10 KKGE CCCC(=O)Nc1nnc(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)s1 1084490410 VDGBZGXGKNMFIX-UHFFFAOYSA-N 550.468 5.254 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084617412 HECJDWZHQYEEIA-UHFFFAOYSA-N 705.458 7.306 50 10 KKGE O=C(CSC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccc(Cl)cc21 1088734445 BGKGMBSNGYAUHN-VXKWHMMOSA-N 502.987 5.150 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Br)cc1 1772755234 WEPQWBGFOQVBRK-UHFFFAOYSA-N 602.963 7.056 50 10 KKGE COc1cc(C=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 1772760296 ZGKKUVVLZRPGPO-HNNXBMFYSA-N 586.501 5.023 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681056 DEEPVSRYDRABEE-HSZRJFAPSA-N 535.387 5.543 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684929 BTPPQCFYGNZWQC-JOCHJYFZSA-N 521.379 6.271 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689029 IEOKXQLXKKYVGD-MHZLTWQESA-N 561.469 6.937 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689420 RTEJXZLNTRKVFG-AREMUKBSSA-N 577.468 6.870 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865690134 JLRICIYPRKFNET-HSZRJFAPSA-N 510.560 6.354 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865692291 KXASQLRNZITKHB-QHCPKHFHSA-N 571.903 6.315 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865692737 HTIARJSZOVWUMZ-QHCPKHFHSA-N 543.421 5.927 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865694792 BTCPIQMLULOPJQ-DEOSSOPVSA-N 566.967 6.659 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694963 GTWBUIHJWOQIJS-VWLOTQADSA-N 537.834 6.938 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865695064 IRMWWOOSMLNZCY-JGCGQSQUSA-N 568.677 7.021 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702457 VQBBZQPTMIJIJH-LJQANCHMSA-N 532.211 5.707 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(Cl)cc1Cl 1865704513 XRRODEHUWQLHLG-SFHVURJKSA-N 525.314 5.551 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)n1 1868277729 GKFYFVSVSNYOMQ-UHFFFAOYSA-N 577.780 5.293 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CC(C)(C)c5ccccc5[C@@H]4C3)n2)cc1 1868320890 QJMYZJWXCHRFLZ-MHZLTWQESA-N 546.700 6.450 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)CC1 1868456293 MYZQURDMIYKNDX-UHFFFAOYSA-N 554.695 6.363 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C(C)C 1872753856 QKAFKWODXYIZEQ-ATJXCDBQSA-N 517.478 8.209 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754538 XMIHICIJBQXXLD-LDIFMVGESA-N 501.608 5.676 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCCCc1ccccc1 1872791854 VRVCHWNMEYVDAE-LFVJCYFKSA-N 510.615 6.666 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 1872794437 BMBMHYDTTZGDND-YBFXNURJSA-N 517.478 8.157 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915075590 GUSYUJHBSQHYMQ-AWEZNQCLSA-N 551.060 5.870 50 10 KKGE O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915314555 SINGNGLJYFCGFZ-CQSZACIVSA-N 522.100 6.089 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(F)c2Br)c1Br 1922896501 FVPJHNCBHQOOTC-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Br)c2Cl)c1Br 1922897105 LDZHTNZQWRACTJ-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(I)cc1 1923054971 MRWNVSMXTXJUFG-QMMMGPOBSA-N 526.846 6.859 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924604509 CQYMKHVLVMFQKC-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)cccc2Br)sc1Br 1945322004 JQLBXOLMDPEBSG-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE C[C@@H]1OCC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2019621329 ARNWUNQPNAWGTO-LYFYHCNISA-N 511.899 6.287 50 10 KKGE CC1(C)c2cccc(P(C3=C[CH][CH-]C=C3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2059933310 LEEYAPCQZIEWTA-UHFFFAOYSA-N 578.632 8.171 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC23CCC3)c1Br 2085499393 HQOGNMYKHHSGFN-QUBYGPBYSA-N 566.751 7.363 50 10 KKGE C[C@H]([C@H]1CCCO1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468316 IZXZOULWKUCCAV-CIQYLNAISA-N 540.315 6.832 50 10 KKGE COc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141470443 HCWHYAHOEVMZPD-LBPRGKRZSA-N 598.774 7.291 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2COCCOC2)c1Br 2141474672 DCPPYKZGJWVVKO-SNVBAGLBSA-N 586.738 5.836 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Cl 2146764132 VTKUZCORJZYBLZ-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CC1(C)C[C@@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206396219 UMNGBDJRUVTTAX-GMSGAONNSA-N 554.342 7.222 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC(CC3CC3)C2)c1Br 2206398587 WNPWBTJCYWRHID-RPTIHFLNSA-N 594.805 7.999 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2231810262 FTIASXRUGWGYDG-SYTVJDICSA-N 551.842 6.439 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2231826738 SZCMARWQNBTHDR-NRYKZSQYSA-N 507.391 6.283 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2232223431 PHMJMUFEDZTUTQ-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232520676 PUDKCOPCEFOAIF-SNVBAGLBSA-N 573.252 7.637 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(OC)cc3)c2C)sc2c1CCCC2 2294193338 GDSIXKAKVHGIMV-UHFFFAOYSA-N 503.624 5.765 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642433 DSFGYHDOOABSRG-VYGRCMJCSA-N 672.222 5.917 50 10 KKGE Cl[C@H](c1ccccc1I)c1cc(Br)ccc1OCc1ccccc1 2299494600 IOCVHIHHGSNMKC-HXUWFJFHSA-N 513.600 6.961 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(I)c(Br)c2)s1 2300998077 OJQDGMOSFUOACI-SNVBAGLBSA-N 618.297 6.858 50 10 KKGE Clc1nc(Oc2cc(Br)cc(I)c2)sc1CBr 2301072285 WSLFJBONMYSWGN-UHFFFAOYSA-N 509.388 5.851 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc2c(c1)OCO2 2313570632 BLQDMKKMAUTXOX-UHFFFAOYSA-N 551.426 6.974 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592508 VWEQKSVQUPGMGO-AREMUKBSSA-N 550.511 7.490 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314610179 DMEPLXIMPKSVBU-UHFFFAOYSA-N 522.649 6.273 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1 2314634074 JLQMAZASRUVJJN-NDEPHWFRSA-N 500.982 6.356 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 2314634417 QGZXVLSBGWATNM-HSZRJFAPSA-N 532.210 7.137 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646732 LLVHCOMZYDDQJH-MUUNZHRXSA-N 667.187 6.288 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314720288 LKPNLFBMWLTRJQ-VWLOTQADSA-N 528.992 6.029 50 10 KKGE COc1cc(C=NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccc(C(C)(C)C)cc1 2328831161 AWAYTXPGNOQUQH-QHCPKHFHSA-N 509.647 5.421 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(C(C)(C)C)cc2)n1 2331350551 AGADFHUGNJSZNO-UHFFFAOYSA-N 504.696 8.066 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1C(C)C 2331464201 KRCAJQFXQCHKBA-UHFFFAOYSA-N 515.078 8.547 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccc(Cl)cc1 2331469984 UGWSOIIBEKZMGP-UHFFFAOYSA-N 517.050 7.741 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2338690054 BUGGXMFSMKCCGC-MRVPVSSYSA-N 536.287 6.040 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2sc(Br)cc2Br)c1 2341116331 JHNJKQWAIGUMHG-JTQLQIEISA-N 507.900 7.649 50 10 KKGE Brc1cc(CO[C@@H]2CCCCCC[C@H]2Br)ccc1I 2350040309 UDMCSEASFTVGKW-IUODEOHRSA-N 502.028 6.057 50 10 KKGE Cc1ccc(Cl)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362238136 UPBFNVKNFOTOSH-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(CCl)c(OCc2cc(I)ccc2Br)c1 2367516796 DQJLLKUXDVZKSK-UHFFFAOYSA-N 530.425 6.442 50 10 KKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1 1439566 XUYGOTYYCLDIGO-PGMHBOJBSA-N 506.514 5.400 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1cccs1 3013983 VDOORCUAHAKBAF-FQEVSTJZSA-N 549.406 5.347 50 10 KKGE O=C(NC1CCCCCC1)[C@@H](c1ccc(F)cc1Cl)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3039225 YEQKTBBRTXCFCZ-XMMPIXPASA-N 509.405 5.356 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 38679431 JOZIRBIWARTDGY-HHHXNRCGSA-N 520.969 5.340 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38688745 DXASIUFOIRTNIE-VWLOTQADSA-N 516.937 5.849 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)CC1 38700521 VUOQZIBZRKCZBT-ZQYQLRQTSA-N 509.444 6.569 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38701052 DDJQJSUBKOGFJO-DEOSSOPVSA-N 514.990 6.557 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 40529942 ZJSYMXKZSPLJPA-HKBQPEDESA-N 514.581 6.207 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 58894087 WWCNVTGSWBHDAL-PEHSQKLVSA-N 511.018 5.599 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1OC(C)C 97914865 MGFBRXNQDPVISQ-NDEPHWFRSA-N 515.094 5.939 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100062081 FYEAKHGRQCBBAY-UHFFFAOYSA-N 564.274 5.268 50 10 KKGE COc1cc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)ccc1OCc1cccc(F)c1 100312212 PZWZYZRIAYNYJS-IPPBACCNSA-N 523.904 5.999 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246423 NSTRNVHQNFRPTM-XHFMHKHNSA-N 525.674 6.446 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101337745 ISESCHPGZGKOFI-GQRGRSSYSA-N 625.128 8.125 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 101340299 ORQITVFAHUJRNS-KGENOOAVSA-N 507.373 6.097 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101364877 RBUMHMPRQLRRGH-QHCPKHFHSA-N 546.204 5.958 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369400 JREJAYDZIYJNDV-JGCGQSQUSA-N 546.623 6.979 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101375194 HMYINRZUCQPMFH-PMERELPUSA-N 547.051 6.530 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)ccc1Cl 101376146 PUFRJKAEIFCQTK-GDLZYMKVSA-N 533.024 6.276 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 101378276 HHOHOILQTAUNLR-NDEPHWFRSA-N 544.604 5.719 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381554 NMXLNEPTFYDSRU-HIYSLSNDSA-N 569.444 7.409 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)c(Cl)c(C)c5)ccc43)c2)cc1 101382305 PZJYBOBLOMCMDE-YTTGMZPUSA-N 581.068 7.047 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384120 FLCDFPOJPBFWHE-GILSBLPBSA-N 532.571 6.550 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388275 CZZFSPKIJCPOFM-UUWRZZSWSA-N 625.121 7.790 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1F 101389115 HMQNEZHUFUQOMP-SSEXGKCCSA-N 554.549 6.380 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCCC(C)C)c(OC)c3)c(C)c2c1 101393386 AFJOTDQURCKFOA-HKBQPEDESA-N 566.654 7.175 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101395021 FCENVKYUFKZHGX-DEOSSOPVSA-N 565.478 7.824 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1F 101399412 LIWPZPHDNQVEGO-WJOKGBTCSA-N 576.580 6.905 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@@H]5C)c(C)c43)coc2c1 101620148 YJNNMMHRBQRCHE-VFOIEQTOSA-N 541.623 6.471 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 101727007 UXELHLIEXDSCTH-XODNFHPESA-N 528.486 6.938 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)ccc1OCc1ccccc1 103563389 FUVHWJHBCGFFEU-FABQOPTDSA-N 572.061 6.326 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1 103877505 NADCMTDRTTWTFP-WKULSOCRSA-N 568.265 7.029 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103879152 AAEBBLTYMZYSDC-KKMKTNMSSA-N 562.645 6.954 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl 103880612 XLVCVYNJOWCZCD-NNLKUIAGSA-N 594.542 8.831 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 105626928 GDODPFVAQMOBEV-MUXKCCDJSA-N 612.393 5.233 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433237 XXUXDBDUXAWIKQ-YTTGMZPUSA-N 651.930 7.827 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433686 PMXQTSCQHHVCMB-UUWRZZSWSA-N 669.561 9.080 50 10 KKGE CCOc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Cl 164558223 GOJMWEOWXUPXLA-LBPRGKRZSA-N 523.899 7.463 50 10 KKGE CC[C@@H](C)c1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 233868172 DPIWPTZGHGBSHC-DIFFPNOSSA-N 508.035 7.052 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Cl)s2)c(I)c1 236169252 PYFNRDSRJHRYND-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c4c(cccc24)CC3)cc1 252624904 PXWKBUDBUQZZDJ-IJFOUELVSA-N 530.672 6.096 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534594 NBJRFADZXIXCDP-KKAUAGQOSA-N 672.642 5.353 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254294333 NWFQZNPEYALKMC-UHFFFAOYSA-N 608.698 7.226 50 10 KKGE CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]12C 254630228 RBYRHDBWVSOLNG-CXQSVUFBSA-N 597.587 5.650 50 10 KKGE CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 257601566 WIMMWIAJQXLZLL-YQLRBEGESA-N 533.876 5.184 50 10 KKGE Fc1ccc([C@@H](Br)c2scc(Br)c2Br)c(F)c1Br 707813474 GPJGZLBSMYQZCK-SSDOTTSWSA-N 525.832 6.798 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1 721594668 QMWHQOJXYLPLIL-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1OC 725411108 RCJKJMCFCAJPJG-UHFFFAOYSA-N 588.730 5.382 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 725438680 MDTLEVSRWSECLS-RUZDIDTESA-N 599.478 5.488 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1083964311 LPKQQQZNQYJQGM-RTBURBONSA-N 565.677 5.676 50 10 KKGE COc1cccc(C(=O)NN=Cc2ccc(Sc3nc4ccc(N5C(=O)c6ccccc6C5=O)cc4s3)o2)c1 1084017599 VLFNSIVPKFBHJZ-UHFFFAOYSA-N 554.609 5.614 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084024352 CKIXUVZCSPLAJK-VWLOTQADSA-N 681.365 6.394 50 10 KKGE N#C/C(=C\c1cc(Br)c(O)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084048539 FBXXUCFWJPIGJD-RUDMXATFSA-N 537.966 5.612 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1 1084146392 AYXPFWMVEPXKHL-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1084158603 YXGZNSMGRZNMBU-UHFFFAOYSA-N 701.945 8.088 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084337993 USFHWVJEZNKEFR-UHFFFAOYSA-N 709.766 6.906 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2C=NNC(=O)c2cc3cc(Br)ccc3o2)c1 1084346308 HLFJZSQZXUCNIM-UHFFFAOYSA-N 542.227 6.609 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Br)cc1 1084364614 OIRJAVJLCPJOHT-UHFFFAOYSA-N 651.149 7.462 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl 1084373175 BRSRLSNHIBGMKJ-RGVLZGJSSA-N 572.830 6.695 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 1084583600 JFIIYERYSXHEAT-UHFFFAOYSA-N 553.196 6.016 50 10 KKGE CN(C(=O)c1ccc(Br)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015097 IRTKNJPJJHNRKP-PMWNKBIASA-N 579.348 5.710 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(C)cc4Br)c(C)c32)cc1 1772745494 CIHNBHYLQQPXDJ-UHFFFAOYSA-N 510.388 5.390 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772747054 CKNXXONXPJZENP-UHFFFAOYSA-N 552.812 6.242 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(Cl)ccc5Oc5ccccc5)c(C)c43)coc2c1 1772751935 KAOSPNPGVWESGF-UHFFFAOYSA-N 596.083 8.048 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688393 QYWOCCSRIAIHBY-NDEPHWFRSA-N 524.596 5.481 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865688986 GSPKXZPWUWGJRD-HNNXBMFYSA-N 501.679 5.775 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865691704 ZEXLPULAPOJOPB-RUZDIDTESA-N 565.512 6.692 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865692832 JMFMBIAVWMVGQW-GOSISDBHSA-N 539.341 6.213 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3cccc(Cl)c3)cc2)cc1 1865694361 XAWHCAVCNBMTJW-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697295 PUDVNOIDANLOCY-MHZLTWQESA-N 506.606 5.808 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697299 ZFRMPFBZQGJEQH-HXUWFJFHSA-N 547.812 5.371 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697678 ZFGLFFAMUIXKPM-HSZRJFAPSA-N 537.458 5.580 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700758 CWHPCCCVYPWYAG-KRWDZBQOSA-N 550.638 5.537 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865703367 UUXLWDYOCPDWOY-SANMLTNESA-N 577.468 6.598 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703374 UWVNHGOIEMCQFS-PMERELPUSA-N 547.058 7.429 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709490 WHIHAINEGOKNNQ-HSZRJFAPSA-N 512.953 5.177 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)/C(C)=C/c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866822364 WTQKEZFFTZXQSX-SWHLDRTQSA-N 534.037 5.608 50 10 KKGE CC[C@](C)(NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867025953 GNJASWNZWSHQPL-PMERELPUSA-N 515.679 6.527 50 10 KKGE Cc1nnc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867034767 OMSCGOIIVCIJSZ-DQEYMECFSA-N 590.503 5.602 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1OCCC 1872818367 ZCPIWJGZFXEMAV-LNVKXUELSA-N 513.059 7.530 50 10 KKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)Cc1ccccc1 1882230489 XTEXIRDIDRXOBQ-UHFFFAOYSA-N 509.263 5.735 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2sncc2Br)c1Br 1922930144 PIPUBQWOKIOBRQ-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923055760 YMRQBKVZDJVIAW-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924593513 FTLUGSIBUPVURX-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE COc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)c(Cl)c1 2079243231 PYZOASHKHAFJQG-UHFFFAOYSA-N 509.491 5.112 50 10 KKGE CN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2085499889 KWVWSNZIOIQSCK-REFSAOSRSA-N 569.755 6.171 50 10 KKGE Cn1cnc2sc([C@@H](Cl)c3c(Br)sc(Br)c3Br)cc21 2118608827 JMFIIZHWGIYXIB-MRVPVSSYSA-N 505.482 6.312 50 10 KKGE CC[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141470151 YTHZZPWDTNERLQ-OLZOCXBDSA-N 540.315 6.976 50 10 KKGE Cn1cc(Cl)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2141472575 FWKYFAWBCPVXMY-SNVBAGLBSA-N 601.156 6.608 50 10 KKGE CC(C)CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141473316 NQCGYVGUMLKBIY-ZDUSSCGKSA-N 582.794 7.999 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2F)cc1Br 2169669109 XMWKFCVWADFYAV-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(CBr)c(Br)c2)CO1 2179957068 YHNAMCGFULOHSZ-KRWDZBQOSA-N 517.283 5.102 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23CCC(CC2)CC3)c1Br 2206397807 MZIFMZLJOVIGHO-MLRNSFOPSA-N 594.805 8.143 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(I)c(Cl)c2)c(Br)c1 2208036999 RNXDWLYEJGRHQJ-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 2217421437 WWFQBQMTMPITBB-NSHDSACASA-N 506.428 6.561 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)s1 2233023976 UNKPCVXEIBVPPA-ZDUSSCGKSA-N 594.932 6.899 50 10 KKGE BrC[C@H](OCCOCCOCCOCc1ccccc1)c1ccccc1Br 2236085074 MYIJXIHPZCRTOB-NRFANRHFSA-N 502.243 5.152 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sccc1I 2260000380 YXPZLOSXAXKKDX-VIFPVBQESA-N 572.832 6.640 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)cc1I 2269553830 PKXURALWZDTPPG-AWEZNQCLSA-N 563.398 5.995 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198361 ZPNWKTIRAOCRJC-VWLOTQADSA-N 536.484 6.087 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc(Br)cc1 2294217740 FKJZCQVTPULBIU-UHFFFAOYSA-N 659.512 5.803 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=C1CCCC2=C1OC(N)=C(C#N)[C@H]2c1c(C)nn(-c2ccccc2)c1C 2297317302 XSDNJIUICARRNJ-HKBQPEDESA-N 528.660 6.621 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2297322206 JIZCLVXOYRYMGU-UHFFFAOYSA-N 584.610 5.195 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299527845 MHJCVFIARPFUKO-IBGZPJMESA-N 531.107 7.645 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@@H]2C[C@H]12 2312064020 OACXRLAIHJSMKI-PDPXDMDKSA-N 522.300 7.063 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314610410 HVNLDWRNIOJDNY-UHFFFAOYSA-N 574.656 7.040 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314610950 ORNDJOUGCAHFFY-UHFFFAOYSA-N 592.699 7.664 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314616600 FMSKIZVFHLSJLW-UHFFFAOYSA-N 563.057 6.692 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 2314634023 BXWYEEZAIZPCJO-HKBQPEDESA-N 569.444 7.409 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2321698160 TXTYIVVENAFVRT-UHFFFAOYSA-N 528.008 5.378 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281539 MLGCTIHZLUKYQM-UHFFFAOYSA-N 520.792 6.786 50 10 KKGE BrCc1ccc(OCc2cc(Br)cc(Br)c2)cc1Br 2337069603 REQOTWUZVCOMKO-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCCC2)cc1I 2337274255 GVXAWIWGFRRYIQ-UHFFFAOYSA-N 520.474 6.454 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1c(Cl)cccc1Br 2360424515 SYTMZLHGIFJHRS-GFCCVEGCSA-N 526.252 7.795 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(I)c(Cl)c2)c1Br 2362250341 JETOYRBVWZFRKB-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE Cc1ccc(Cl)c(NC(=O)CS/C(Nc2cccc(Cl)c2C)=C(/C#N)c2nc3ccccc3s2)c1Cl 3271063 IAGJSYNYEWZDEQ-XYGWBWBKSA-N 573.958 8.550 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 10683225 SVOYUAKBWYZFGT-LAUBAEHRSA-N 513.432 5.500 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766854 BDXXHZCBNOIFON-LJQANCHMSA-N 525.443 5.424 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OCC 38679299 WLFVCKSPBAIMTJ-HKBQPEDESA-N 520.585 6.003 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38682478 GTTBTWYMRKZDHJ-RUZDIDTESA-N 507.011 5.881 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813469 ABFNHKMVAKWHGV-WPWMEQJKSA-N 501.326 5.526 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC 40853607 KNZRNFXJZQXDNV-LYBHJNIJSA-N 504.627 6.689 50 10 KKGE CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C3\CCCC[C@H]3C)n2-c2ccccc2)cc1 43894062 ULZCYFSRIHRZKQ-UDCQLCGASA-N 506.676 5.441 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 59474972 DWLBLTIQQMQUIN-LPYMAVHISA-N 505.412 6.589 50 10 KKGE C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1C[C@@H](Br)C2=O 90470072 ADSWXPLGWUHJRG-VGDLUROASA-N 507.060 5.716 50 10 KKGE CCC(CC)(CBr)COc1c(Br)cc(Br)cc1Br 96870038 ZIMAWMDYSPYBTP-UHFFFAOYSA-N 507.886 6.554 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1COc1cc(C)c(Cl)c(C)c1 97997746 XRJAQIKXVAXIGX-IBBHUPRXSA-N 549.882 7.161 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2Br)cc1Br 100172602 AXWBRNJFRQXUEM-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174934 XLALMCPJPLDAML-UHFFFAOYSA-N 531.406 5.388 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCCC)cc1 100189243 YXHKCHGQHMVIGM-UHFFFAOYSA-N 550.519 5.536 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100194213 AAOCQIQDYURGAE-UHFFFAOYSA-N 615.388 5.258 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100210155 URWDDWCEZYPPEZ-UHFFFAOYSA-N 615.116 5.755 50 10 KKGE COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C 100918973 IKZVEZNFENVAFC-WQZIVQEVSA-N 551.879 6.824 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c1 101013612 XIXZGYFEADFVQA-QQTULTPQSA-N 559.736 5.706 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C1 101014638 QGXUDZFDRPRSBU-QYJRXKHCSA-N 565.724 6.634 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101339618 BZEPWUPNUKTLTQ-WYMPLXKRSA-N 547.438 6.682 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101340702 POVBSHRLVIWZOG-MFKUBSTISA-N 522.967 6.124 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101368150 RMPHCDWJYUSIBO-APYJYERMSA-N 570.686 6.979 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 101376452 GRYWYFQRDHIFFA-MGBGTMOVSA-N 544.651 7.211 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101385011 GONZUXSIPDWJKO-VTLMBFNKSA-N 629.540 8.287 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385525 NYZPFEPFAZOTPM-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101387082 RWVZRTHAWAIVHF-LJAQVGFWSA-N 567.529 5.759 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101389035 APRBLOJDWUNUMF-QTYPKTMWSA-N 598.602 6.534 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101395016 FCENVKYUFKZHGX-XMMPIXPASA-N 565.478 7.824 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 101395312 OWDFKUZFNSMJQS-GDLZYMKVSA-N 538.600 6.675 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101395398 PYAZVCDAYRWDRT-LJAQVGFWSA-N 573.045 7.410 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 101397234 MPNVSFBYIVDYPD-HKBQPEDESA-N 564.682 8.145 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101399531 WPTVMZKQTHXYFM-GDLZYMKVSA-N 621.448 7.166 50 10 KKGE COc1ccc(-n2c(C)cc(C3=CS/C(=C(\C#N)c4nc5ccccc5s4)N3c3cccc(OC)c3)c2C)cc1 102924504 AOISTZFZTOYJNB-QVAGMWBUSA-N 562.720 8.165 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1 103878997 CQKMWTHBRJBGCN-CCVNUDIWSA-N 619.253 6.542 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)o2)cc1 104919378 BTKCSJGODMJUKX-RCCKNPSSSA-N 598.483 6.971 50 10 KKGE CN(C)[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1 106804770 NUVSXUWSDGIMHI-INYMHRCXSA-N 571.685 7.349 50 10 KKGE CC1(C)O[C@@H](P(=O)(c2ccccc2)c2ccccc2)[C@@H](P(=O)(c2ccccc2)c2ccccc2)O1 108931181 LFMGKQZUBDKJTF-HNRBIFIRSA-N 502.487 5.450 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150414308 NUYQHRQYUDJOQI-OAQYLSRUSA-N 658.749 7.954 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 205657731 URROLYWVJGGHQE-KZIOJDGPSA-N 538.644 6.656 50 10 KKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 206409100 XDDGJIVHCSAXBF-NKFKGCMQSA-N 512.606 5.439 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206499081 JTTARHVVRXJQHO-SMDHAYCWSA-N 513.546 5.372 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 206501689 IEUFFHDMIYWSKN-YUSBXDGKSA-N 544.604 5.708 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1OC 206505402 YVRZMWNQXJERLR-WALPORDISA-N 520.626 5.715 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214261396 QELANEOAWGZUSZ-BXIPXKNPSA-N 560.629 6.648 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 214407961 BHOFAYRGDLCRLS-NTFVMDSBSA-N 532.575 5.788 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(-c4ccccc4)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 252674741 SKXOOEQKFLLKQD-WJOKGBTCSA-N 534.644 5.195 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1OC 254518881 SOICZCKUNAVNMD-UHFFFAOYSA-N 510.666 5.243 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 254701816 VPHUIUSYIJSCBI-RFCQWTHCSA-N 588.708 6.191 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc(C)c1Cl 254765734 VNAUTOKQAVKOSX-UHFFFAOYSA-N 555.462 5.285 50 10 KKGE ClCc1nc2c(Br)cccc2n1-c1cc(I)ccc1Br 312471638 XGZLHAKMSONEEI-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1cc(I)cc2c1OCC2 379982180 JXTJFJDGMDBMRW-AWEZNQCLSA-N 619.860 6.078 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232450 RGULCXDJBDOAKJ-PYPRTAJUSA-N 635.352 5.642 50 10 KKGE in-vitro COCc1cc(Br)c([C@H](Br)c2csc(I)c2)s1 688077696 AELYVPUOZLRLJE-SNVBAGLBSA-N 508.038 5.807 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 725422888 WVZPLXKDXBTEJD-HSZRJFAPSA-N 592.861 5.886 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 725437374 NNVYMLNCVROEDU-QHCPKHFHSA-N 545.861 6.044 50 10 KKGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)Nc1ccccc1Cl 1083981587 OHBWPRZSXNPNIG-UHFFFAOYSA-N 557.006 5.025 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1C 1084060540 JLORQMSSVJFTEY-UHFFFAOYSA-N 611.722 6.915 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C 1084103760 YPSAJEKAHLFMFC-UHFFFAOYSA-N 529.460 5.765 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c2cccc(Cl)c2C)cc1 1084205641 RJOROHJZRAABHV-UHFFFAOYSA-N 607.088 5.790 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084210749 LPYKJXCXBCROJI-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084534900 ZJZYPYOYGXWTQK-UHFFFAOYSA-N 556.671 7.151 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 1554268741 AXOBYQYLEXRBCY-HGJDOUJQSA-N 611.724 5.282 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747252 FSVQBLCNNAUUAI-AWEZNQCLSA-N 538.963 5.741 50 10 KKGE C[C@@H](C=O)[C@@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848437778 ZARWZJUOPFZIOB-BBCFOUPBSA-N 637.088 8.632 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684800 YRZTYAPSALFIOG-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685888 OJLKFLMRJQZPNU-RUZDIDTESA-N 531.443 6.749 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865688657 YBENYKZGZYNALQ-MHZLTWQESA-N 502.549 6.117 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865695912 ANWFSHMLYVVEJZ-RUZDIDTESA-N 571.475 6.295 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)ccc1OC(C)C 1865697589 XIAZCCYWNUVOJQ-VWLOTQADSA-N 557.448 6.316 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700921 HSDWCQUQRUSETP-MHZLTWQESA-N 545.470 6.988 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1865701290 RKEUDRUUOZPLDD-AREMUKBSSA-N 533.415 6.293 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCc1ccccc1C 1865702794 FLJCLGTWXCUWPV-PMERELPUSA-N 564.686 6.719 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703621 XGXNPLCNQBEDCM-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CC[C@@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128843 UKJFYRPEQLVRGZ-DFBJGRDBSA-N 584.511 6.420 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745281 GAVACYDQWGFCAZ-AZJLSSPBSA-N 503.580 5.331 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872754425 RVUFYCVOXCNTFT-VGLIXDPASA-N 500.407 5.967 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924596629 QZWIWARQOOXVSL-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE Cc1nc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 1980604344 FSJGRWABYCYROH-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)ccc1I 2026130248 DFXRDVMNZBEZML-LJQANCHMSA-N 500.218 5.662 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(I)c1OC(=O)c1ccc(OC)cc1 2053623350 SYOUTSVXTZJDSJ-UHFFFAOYSA-N 627.391 5.680 50 10 KKGE Fc1ccsc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495193 INXJFUXIHAKQBR-SNVBAGLBSA-N 542.287 7.265 50 10 KKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2185101126 WBMIAHLYLMKCCY-AAEUAGOBSA-N 515.027 5.078 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)c(F)c1Cl 2201611337 PCVSSSQGGCOQDG-LLVKDONJSA-N 509.797 7.234 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2207098325 UZZLLNLOECKGMC-GFCCVEGCSA-N 702.642 8.134 50 10 KKGE C[P@]1(=O)C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2212199723 FUPIIHVOVSFJNB-DKDXWZAISA-N 515.827 5.889 50 10 KKGE C[P@@]1(=O)C[C@@H](c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2212199726 FUPIIHVOVSFJNB-ZMVGJBDTSA-N 515.827 5.889 50 10 KKGE BrCC(CBr)(Cc1ncsc1Br)c1ccccc1Br 2226134922 UQHHPYUGKWEMAJ-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cccc(Br)c1Br 2229151098 IQDRCMAXZQZNMV-LBPRGKRZSA-N 532.295 7.306 50 10 KKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2248699547 HKYCLAFIMQHCLF-MJIFXRKESA-N 511.899 6.144 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2283568969 TZHMUSLPSIGQJE-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1ccccc1I 2288374467 TUEAZYNNEBKTBX-SECBINFHSA-N 536.379 6.617 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Cl)cccc1Br 2288482945 IZVXMZBVGFYDRS-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1 2288490715 KABMKBHUCXJWAA-CYBMUJFWSA-N 536.379 6.731 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)ccc1OCc1ccccc1 2293202120 FTQKDMRJCOWUNN-UHFFFAOYSA-N 530.049 6.829 50 10 KKGE COc1c(C)cc(C)cc1[C@H](Br)c1cc(Br)ccc1I 2295357405 MAVIEKNFBPTKTA-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)c3nc4ccccc4s3)c(Oc3ccc(Cl)cc3Cl)nc12 2296544499 QALJNONYERRNOZ-UHFFFAOYSA-N 505.386 6.776 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2296789990 HDPTUMDPTWBJPX-UHFFFAOYSA-N 531.977 6.706 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3cccc(NC(=O)c4cccc(Br)c4)c3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642539 NMSPCYRUGUNCPZ-IXVFGPMNSA-N 720.661 5.130 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498026 YORWCIYWXDJSHS-SFHVURJKSA-N 531.107 7.645 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 2313521309 FJUAGFXRTQDRKN-UHFFFAOYSA-N 544.776 6.078 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N 2313568484 TUOYBKZBJKQSBS-UHFFFAOYSA-N 512.407 6.482 50 10 KKGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571139 ODVVRBKGHLFTJQ-UHFFFAOYSA-N 575.186 5.094 50 10 KKGE CCOC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 2313571531 YKPKUYTVLZBGGI-UHFFFAOYSA-N 528.186 5.252 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 2314433646 PXJSPLZQKZZDSP-UHFFFAOYSA-N 548.627 5.688 50 10 KKGE Clc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314492871 YDOWCCONKZKZPX-IBGZPJMESA-N 545.496 7.928 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592542 XBRGUULPYZYMAZ-VWLOTQADSA-N 501.583 5.598 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 2314593373 MALBUDAHMRPEGX-OAQYLSRUSA-N 502.423 5.121 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(OCC)cc1 2314593439 MXMFPAAZHWSZGR-HXUWFJFHSA-N 502.423 5.121 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593928 WAYXTLUPEJHMNR-IBVKSMDESA-N 516.066 6.261 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611089 QGKIGFYYEOGTJL-GOTSBHOMSA-N 597.741 5.351 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1cc(I)ccc1Br)C(=O)OC(C)(C)C 2319212091 FZAZYVLANGOAAP-GOSISDBHSA-N 591.122 5.981 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCc3nc4ccccc4[nH]c3=O)n2)cc1 2331345894 HQUSNMLNXTVEMB-UHFFFAOYSA-N 514.651 6.821 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H]1O2 2333303654 NVXCNKPVNWZNMG-GFWYMSRTSA-N 538.299 6.584 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Cl)cc2Br)c1Br 2362248161 AOMQSWLNRWYDHY-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)cc1Cl 2379737531 SDEBTSWXYHIDMB-ZDUSSCGKSA-N 509.797 7.281 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 38650877 KVOKLAZHTWRGPC-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38681122 NYLIZAWHPSZGIG-LJAQVGFWSA-N 512.562 5.079 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38685873 YNRKTEPLBOPYMT-SANMLTNESA-N 504.970 5.558 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 38700848 KBIIDBHWEOZHOV-NDEPHWFRSA-N 508.574 6.666 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)c1 40530001 QRUVNGKPLDCBBC-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc6ncccc56)c(C)c43)coc2c1C 40826788 UEJJPBAGAUHSBN-YQCHCMBFSA-N 520.589 6.151 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1 48573521 RQZYMXFYCSMQHZ-VTNSRFBWSA-N 519.428 7.224 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)sc2c1CCCC2 59116658 YUCUSIIYXLEZIS-XSFVSMFZSA-N 521.038 6.582 50 10 KKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915118 SYUNGKJYLKKBPV-RBJSKKJNSA-N 529.077 5.263 50 10 KKGE CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC 100045352 CSKKAINPUYTTRW-UHFFFAOYSA-N 514.788 10.610 50 10 KKGE Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100062633 JVRXACXSUORSQG-UHFFFAOYSA-N 533.426 5.394 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232125 QTRRQGNGFDYNKH-PVEGLGLCSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 100234826 COIFMBWUECFJOM-SWOYFSSUSA-N 556.413 5.299 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(I)cc3)cs2)ccc1OCC(=O)Nc1nccs1 101034422 CTJSJZTWRMGOFH-LICLKQGHSA-N 600.463 5.961 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(Br)cc1 101135409 FBRCTIWBZXJPHZ-UHFFFAOYSA-N 545.412 6.069 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101293451 PHFLIYSWIQHZAY-XIFFEERXSA-N 609.078 7.320 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 101378048 GSFZTWHIMIVTRM-HKBQPEDESA-N 540.660 7.262 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381135 AWEYKRONYYEABN-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 101382358 NNNKQLCVCHMDIO-YTTGMZPUSA-N 546.623 6.800 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384477 XYQFZPULALLHGD-ULKXQASOSA-N 578.640 7.119 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(C)cc1 101399608 RHLWDFUDNSWVIB-MGBGTMOVSA-N 600.627 6.517 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1ccc(C)cc1 101712285 AIAMQCYRIXZBKF-FJEPWZHXSA-N 539.470 6.306 50 10 KKGE CCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 101727047 UEYIFNXLFDGVMK-VULFUBBASA-N 548.528 6.393 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 103003441 CFDDSKDTLOUYFC-LANLRWRYSA-N 553.423 5.170 50 10 KKGE COc1ccc(COC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 103737161 IUCZKVQWKSPCBE-MZJWZYIUSA-N 541.345 5.011 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cccc(I)c2)cc1OC 109860464 RQSLMIYAGFGNQE-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE O=c1[nH]c2cc(Br)c([C@H](Cl)c3cc(Br)c(Br)s3)cc2[nH]1 128561635 KNNMGIWQWVVHRO-JTQLQIEISA-N 501.425 5.533 50 10 KKGE N[C@@H]1CCCC[C@@H]1N(Cc1ccccc1P(c1ccccc1)c1ccccc1)Cc1ccccc1P(c1ccccc1)c1ccccc1 215766130 GEZITKLHMKZYMH-HLFYWILQSA-N 662.798 7.475 50 10 KKGE CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(/C=C\[C@@]13CC[C@@](Br)(C(=O)C1(C)C)[C@@H]3Br)[C@@H]2Br 222189739 KCHBNJFXKOPVID-AEXUZKJWSA-N 616.026 6.115 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)c(Cl)c1 234992001 BUMNBULPRSLVSC-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2csc3c(Br)cccc23)c1 236084319 OCXQWNSIZXXUMV-AWEZNQCLSA-N 542.461 7.406 50 10 KKGE O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Cl)c1Cl 252603416 FQTKOLAPINWRSM-UHFFFAOYSA-N 555.281 5.097 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(Br)cc1 252627267 RQEGTLLNRQJDEV-KRWDZBQOSA-N 569.916 5.926 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(Br)[C@H](Br)CCC[C@]4(C)[C@@H]3CC[C@@]12C 254417594 VYXNUQWHPGRLNR-KKPMZRTJSA-N 530.473 9.389 50 10 KKGE CCc1cc(=NNC(=O)CCNC(=O)OCc2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3 254453171 XMPBWBQZKZTGHE-UHFFFAOYSA-N 517.626 5.272 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 254817939 CFRDSYPLWQRDOR-UHFFFAOYSA-N 619.791 7.370 50 10 KKGE CCOc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1 254825099 ARVBCFWINDOZIO-UHFFFAOYSA-N 508.622 6.439 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N(c1ccccc1)c1ccccc1)[C@H]2Br 256019166 NYDKGDOMUAKZMY-HSQYWUDLSA-N 556.136 7.037 50 10 KKGE Clc1cc(I)c(Oc2ncccc2CBr)c(I)c1 310753527 WFWKDAMLUMBHBR-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721596090 ZHBZTFXSFQMKMK-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccc(Br)c1 725273984 VLCAVNPQKLUOEC-UHFFFAOYSA-N 559.416 5.873 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 725403091 DHKCZGVGSXUXLP-UHFFFAOYSA-N 593.547 5.240 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl 1083999710 KKEWFGHXCJCXSY-UHFFFAOYSA-N 628.954 8.220 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 1084025354 USODZZHFVKPUFW-RUZDIDTESA-N 600.466 5.698 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084045000 JMQVUCXOVGPUMG-UHFFFAOYSA-N 540.856 5.391 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(C#N)cc1 1084104637 MAQJOUFEKISNKA-UHFFFAOYSA-N 557.242 5.825 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084149900 JTCYZGVLFNZTFL-UHFFFAOYSA-N 642.565 5.714 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Br)cc1 1084184011 YQVWNXUTJIZYTD-LICLKQGHSA-N 576.672 6.998 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 1084389409 SFTRVQBTMATFKH-UHFFFAOYSA-N 619.585 6.887 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 1084479239 CJBPETZWMZXXNU-UHFFFAOYSA-N 523.121 7.485 50 10 KKGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 1084566760 OKEKKVSDPOIUOB-UHFFFAOYSA-N 565.095 5.097 50 10 KKGE O=C1C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc2N1Cc1ccc(F)cc1 1084655451 MFXXQXQGNJNJQU-UHFFFAOYSA-N 510.407 5.172 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682509 QIBZZLMAKAFGAN-SANMLTNESA-N 508.597 6.262 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Br)c1 1865684395 PRDZJLDTLMTNKX-QFIPXVFZSA-N 552.259 6.886 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCCc1ccccc1 1865688062 HYOHBBSDKLOXHA-HKBQPEDESA-N 572.640 6.586 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865693635 XOZXLHLSDUYOBR-HSZRJFAPSA-N 541.421 5.547 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865696768 QYDOAHAVQPGUME-OAHLLOKOSA-N 546.130 5.884 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865697465 TXWBIUZBUFJJJF-OAQYLSRUSA-N 514.504 5.305 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697591 XJNYBJQMJZIDDW-MHZLTWQESA-N 575.040 6.413 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697860 DBOXFAPWOABXHZ-DEOSSOPVSA-N 512.953 5.191 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccccc1C 1865703064 LZQNDQMUTKYIJE-GDLZYMKVSA-N 534.660 6.710 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865703192 PKJSMMLRPCDWMV-PMERELPUSA-N 555.638 6.439 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(C(=O)O)cc1 1865709086 NJVPAIZDVSOSAE-JOCHJYFZSA-N 500.917 5.307 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866741454 MZVHZYRQWWTBSS-FIRIVFDPSA-N 571.743 6.804 50 10 KKGE CC(C)(NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867035715 JBDGZPJKBNXENS-IBGZPJMESA-N 529.485 5.534 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)cc1Cl 1867142131 YXILMFWSPKLDBI-PDDLMNHVSA-N 556.087 6.940 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H](C)N1c1ccccc1 1868434035 VQOPRVIKMOFVOM-OYRHEFFESA-N 527.097 7.217 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C1 1868456048 IIRZVBGUFDOFCI-IBGZPJMESA-N 511.626 7.328 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868456427 OBSWHDYVLPGBJV-BVZFJXPGSA-N 515.589 6.705 50 10 KKGE CC(C)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)c2ccccc21 1868545510 YKQYSXDUXJTUOU-UHFFFAOYSA-N 534.733 8.124 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1 1872745858 GTLWNXWKGDGKGD-BXVZCJGGSA-N 517.610 7.278 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 1872792826 SQIVPOOSHWSWJG-LICLKQGHSA-N 503.451 7.767 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)sc(/C(C)=C/C#N)c1C 1873427298 KZBLJWWEWFNMFR-MHWRWJLKSA-N 513.575 5.440 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)c(Cl)c2)c1Br 1922898674 XEYZPUIWLMRJDK-JTQLQIEISA-N 538.324 7.482 50 10 KKGE FC(F)C1CC(C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 1926951288 ZLPNZWZVYROJMC-WRVKLSGPSA-N 531.880 7.153 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2047661328 BHFIPWSZSYMLON-SVRRBLITSA-N 523.910 6.431 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccsc2Br)c1Br 2081055519 VFLYCLWPXZXFEQ-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1I 2086023318 MAEDGOAEFCSZFP-VIFPVBQESA-N 629.775 7.433 50 10 KKGE CCc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)s1 2086140086 XRTVLERRVHRBNY-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2093942373 QLUVRZFXWYDGBK-LLVKDONJSA-N 533.905 6.837 50 10 KKGE BrC[C@@H](Cc1c(Br)cccc1Br)c1ccc(Br)cc1 2094094592 DIFMTJYPBJRWRM-LLVKDONJSA-N 511.877 6.695 50 10 KKGE COc1c(Br)cc(Br)cc1CNCCSSCCNC(=O)OC(C)(C)C 2125291995 DWKJHSYKEKXUNW-UHFFFAOYSA-N 530.348 5.216 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@]23CCOC3)c1Br 2141468659 MHSRUZNGWFKHMM-WOJVDSEISA-N 582.750 6.599 50 10 KKGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1ccc(CBr)cc1Br 2197754853 HMBMTNJGCDWFQG-FQEVSTJZSA-N 517.283 5.104 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)c(F)c1Cl 2201608841 RWJKKHGSAWWBNI-LLVKDONJSA-N 601.248 7.232 50 10 KKGE Cc1cc(Cl)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399409 HAHWSSFISSAKQM-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C23CCC(CC2)OC3)c1Br 2206400529 CPSPUUYKKREYDX-OFBKNLNESA-N 596.777 7.132 50 10 KKGE Fc1cccc(Cl)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406310 XVYQXBFPOINSCO-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207097442 PRHAGGJVQIFOPE-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Cc1ccc([C@H](C)[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 2232088853 XZRHNLINOUXPSP-GZMMTYOYSA-N 531.933 7.584 50 10 KKGE Brc1cc([C@H](Br)c2ccc([C@H]3CCOC3)s2)ccc1I 2240435286 YRCYOFWTKCGFJE-BONVTDFDSA-N 528.047 6.103 50 10 KKGE CC1CC(CBr)(COc2c(Br)cc(Br)cc2Br)C1 2254141526 DVUVSPIKRPEFCA-UHFFFAOYSA-N 505.870 6.164 50 10 KKGE Cc1cc(Oc2c(I)cc(Cl)cc2I)cc(CCl)n1 2272788925 FQORYMPDDFIRBD-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(OC)c1 2287090977 KKKLWXSHKCVKED-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1Cl 2288344213 HJHBAKXKFXZLEZ-JTQLQIEISA-N 554.248 7.390 50 10 KKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2293202115 DWLODBBJRZSJBM-UHFFFAOYSA-N 528.505 7.936 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)cc3)c2C)c1 2294187439 OSFHUQMTTWXCML-UHFFFAOYSA-N 511.363 5.643 50 10 KKGE CCn1c2ccccc2c2cc(C=C(C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)ccc21 2295626362 GVMOZMQLYCRNGD-UHFFFAOYSA-N 536.617 5.259 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Cl 2297322261 RCUBQJOZSCOKMQ-UHFFFAOYSA-N 692.866 6.059 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C1 2314476463 OZWYLNAFXAYWPP-PLQXJYEYSA-N 579.726 5.429 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314611528 WGTAKBHLKBYPAK-UHFFFAOYSA-N 532.575 5.870 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314616688 HKPMSHSSDOFPGF-HSZRJFAPSA-N 554.650 6.006 50 10 KKGE CCOC(=O)C1=C(NC(=O)C(C#N)=Cc2ccccc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 2314716818 QXLHVKBUKVLPPR-MHZLTWQESA-N 500.554 5.862 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)OCC 2314773807 CKIPGOVFKNAABT-UHFFFAOYSA-N 505.552 5.834 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)n1C 2315598887 RNHQSVNDADXNCV-RXMQYKEDSA-N 542.316 6.215 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331318464 NVHCNFZBLKROJN-UHFFFAOYSA-N 521.598 6.345 50 10 KKGE Cc1c([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc(Cl)c1Cl 2339043638 FIIPRFVLPLYIKQ-QMMMGPOBSA-N 528.318 8.026 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)c1 14661686 AOGAQQUHDBYNKE-UHFFFAOYSA-N 515.654 5.682 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCCC(C)C 38684337 PTWUHCCYDJMETR-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 38686387 RHPHUNUCPSEVRR-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)oc2c1 38688326 DURWSTBAIDIRGJ-DEOSSOPVSA-N 505.357 6.794 50 10 KKGE Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816350 DURXIEBSGITEBY-VUTHCHCSSA-N 500.382 5.691 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1CCc1ccccc1 40884501 ILDDJICNYZPTPN-XIEYBQDHSA-N 506.558 5.516 50 10 KKGE Cc1ccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2ccccc2F)cc1 97637648 MJOASKRDYHFRGH-XAYXJRQQSA-N 504.631 5.138 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207579 ZOXAMLHEOFTHAH-IBGZPJMESA-N 592.515 5.327 50 10 KKGE CC(C)Oc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100210194 WXZSZELILDULJW-UHFFFAOYSA-N 542.268 5.136 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101245056 PTDDLZJBYPVOAS-LVVXZCGBSA-N 584.063 7.856 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 101333506 IZAAGDKUORZIOL-VFCFBJKWSA-N 536.676 6.809 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101338097 RAAOGLPLDSJKBD-PPFNPFNJSA-N 604.710 7.262 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 101340516 TZAKMWBAHUTMJU-OGLMXYFKSA-N 578.619 6.789 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365148 YCXZOZSTLBNTHA-NRFANRHFSA-N 516.178 6.193 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367538 MHAOYKFLFYVCQS-OHWKKVTOSA-N 590.676 6.989 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376188 OFPNFUXOODDHEU-UVDDSOTQSA-N 540.660 6.826 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380582 AGYZUGWRXCTCCK-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(C)cc1 101385508 GFVRCANWQAMKQR-PMERELPUSA-N 563.566 5.928 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1Cl 101385692 OMUOOZPNHJWMTK-WJOKGBTCSA-N 629.065 6.391 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 101387571 AOBXNROLDCATQM-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388424 MPUKAFFMUZTNSP-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388501 STPVUVPZOHBEOH-PMERELPUSA-N 598.011 6.663 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101392076 XJACFASFYCDFPZ-NRFANRHFSA-N 536.198 6.746 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399157 DRIDHEXSTWGWCF-FIRIVFDPSA-N 597.023 5.891 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)cc1 101965693 CDNHHOMQQCUBLN-RADJSOBHSA-N 551.668 6.186 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)sc2c1CCCC2 103699063 SLUZQIXVJCLKQH-NTCAYCPXSA-N 514.470 6.666 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1I 103732741 JRMZKVUFZKRMLW-MUFRIFMGSA-N 531.353 5.659 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929328 KHJOLNINENMDIH-FHTWKPHZSA-N 565.099 5.841 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 206544532 AJSHVGRPLHQUMN-BWAHOGKJSA-N 536.584 5.457 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(Br)c(Br)s1 236125246 BIMVNOAWFFPLML-SECBINFHSA-N 507.842 6.659 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3OC(=O)c3ccccc3)cc2)cc1 254286974 CLBWWVBXQYOEOJ-UHFFFAOYSA-N 584.628 6.776 50 10 KKGE O=[N+]([O-])c1ccc(NN=C(/C=C/C=C\c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)o2)c2ccccc2)c([N+](=O)[O-])c1 254614967 JXRVDTQMOBYDQL-BBDOBHFZSA-N 679.693 8.676 50 10 KKGE C=CCOc1ccccc1C=NNC(=O)CCCCCCCCC(=O)NN=Cc1ccccc1OCC=C 254897795 OVKBJMLZHKNLLT-UHFFFAOYSA-N 518.658 5.537 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 263627492 HNTBYKLZNBDZBY-UHFFFAOYSA-N 560.745 6.137 50 10 KKGE CCOc1ccc(Cc2cc([C@]3(O)O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)ccc2Cl)cc1 504210202 UTFIOIDDBKLFAJ-LNALEXQMSA-N 713.609 8.385 50 10 KKGE CN[C@H]1CC[C@H](O[C@H]2/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@@H]2OC(C)=O)[C@H]3OC)O[C@H]1C 575232393 MGIACLJTFQJLSW-QBHNNMLKSA-N 985.339 5.741 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](c3cnc(O)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616584843 JPJHNALDAAZFFN-GCASDWFISA-N 861.062 9.405 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1 725401244 LDTQPDWINPAMGE-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CCCC(=O)OC[C@]1(C)C=C(C=O)[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 888105662 QPQIDDPQSQUSBC-YKOYFJLHSA-N 566.779 6.665 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083803578 FQWUSGHMQPXVGW-LONPARTJSA-N 890.093 8.077 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC 1083974561 SYQMNQVDAPAIJA-UHFFFAOYSA-N 680.010 6.426 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1083976633 UFDHQSAWABNKDG-OOAXWGSJSA-N 514.028 8.319 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1 1083984039 OQFBDFWRPXDLDE-UHFFFAOYSA-N 532.507 7.221 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 1083996705 PLRSJVUDPFPMSL-HAVVHWLPSA-N 508.603 7.008 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084045085 PZDBXYOBXMDKKA-UHFFFAOYSA-N 604.184 5.456 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 1084149847 JPZGOVGZRWMOFS-UHFFFAOYSA-N 676.292 6.791 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084333031 KFVMWAKQMWJQOW-UHFFFAOYSA-N 597.140 6.907 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084416090 RQEHKQKJHMAXRH-HSZRJFAPSA-N 556.413 5.299 50 10 KKGE C/C(=N/NC(=O)[C@@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525774 DRUBVNFLJNKMHF-PIUPRJHQSA-N 540.664 5.057 50 10 KKGE C/C(=N\NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(COC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 1616047050 DOFVJZHTZMCBGX-WODLRVSNSA-N 558.384 6.765 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743638 HJZBPYOJTKNTLZ-UHFFFAOYSA-N 510.388 5.472 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccc(Cl)cc1 1772752464 RBCYRGJBEPIHCJ-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CCCOc3ccc(C(C)(C)C)cc3Br)cc2)cc1 1772755342 BTTMOCKJSLTQCX-UHFFFAOYSA-N 537.498 6.943 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OCc1ccccc1 1772756063 YGKBGPIUUVDNHM-UHFFFAOYSA-N 604.339 6.626 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(F)cccc1Cl 1772760321 BREOSSXOTVIKRL-UHFFFAOYSA-N 512.994 5.576 50 10 KKGE CC(C)[C@](C)(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1775963100 SQOWQPPONOQYNA-BXMKBDARSA-N 530.954 9.779 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681242 IOQZKZDFTBOHDF-RUZDIDTESA-N 563.441 6.236 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC)cc1OC 1865690972 GHESOCPUHZPOLL-FQEVSTJZSA-N 503.441 5.414 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865692354 LLKRZFQIPSAWMR-SANMLTNESA-N 579.539 6.669 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693832 ZRLHNHBIWDKQFF-DEOSSOPVSA-N 579.440 6.099 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865694761 AXTYQOHJWBTKKS-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694924 FRYFUHZMTVJIHR-MUUNZHRXSA-N 562.029 6.393 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCCCc1ccccc1 1865697353 QIVZFHMOZXHEQN-WJOKGBTCSA-N 534.660 6.095 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700723 BXFITZXRYYDBGC-SSEXGKCCSA-N 569.105 6.960 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865700907 HLPBQELVBGVICN-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1F 1865701956 JIECKNIZYIDBJQ-NRFANRHFSA-N 521.777 6.312 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)c1OCc1cccc(C)c1 1865704919 HXQKPTYPOGXLAO-MHZLTWQESA-N 527.024 6.007 50 10 KKGE Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866826948 VNRJCBXJRLTBFJ-VWLOTQADSA-N 527.625 5.396 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)c2nc(CC(C)C)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866870372 YKDQZXFEJKFXEJ-VWLOTQADSA-N 555.660 5.011 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986664 OFXRGOWQFJWUDZ-WUFINQPMSA-N 545.661 5.299 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867093613 ZXTVYFRQQWTFMU-QHCPKHFHSA-N 521.524 5.047 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4cccc(Cl)c4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868413567 AVWAYJHZQJSADI-UHFFFAOYSA-N 561.542 7.132 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)\c2ccccc2)cc1 1872756273 WEJDGVPEGLSTJD-LFZPJOOBSA-N 520.698 8.848 50 10 KKGE CC(C)(C)C1CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924600010 ANSVOOFYOKQMFA-AMUVOQDHSA-N 552.008 8.324 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1csnc1Br 1925271772 SSPOTAHHNUHTBL-BYPYZUCNSA-N 531.314 6.630 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Br 1995047691 NXPUQEINEJXUIO-IMJSIDKUSA-N 540.669 5.703 50 10 KKGE C[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085493496 CJAYJTXDPGAIEC-QUBYGPBYSA-N 570.783 7.855 50 10 KKGE CCC1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494301 KXIODRUPTYGDFF-RBEJAIPDSA-N 524.316 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2COCCO2)c1Br 2085496920 YPQQMHVFHYWBTE-HQJQHLMTSA-N 572.711 5.588 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(C)cc2Br)n1 2124765417 CUTZCZJPVXOZSC-GFCCVEGCSA-N 515.869 5.983 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2141468569 LHSKWPQARKMHTO-GLTNYXDESA-N 580.778 7.609 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3csc(Br)c3Br)cc(Br)c2O1 2150335758 DWBWDXHCQACTJJ-UPONEAKYSA-N 545.916 6.843 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2cc(Cl)c(Br)s2)c1 2172411572 FNGURIRHVUPXGF-JTQLQIEISA-N 513.398 7.430 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)Cc1cccs1 2179832312 JDRQQMUDPAQVIT-UHFFFAOYSA-N 533.282 5.936 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1Cl 2201609112 UPXOPPDHJCEQNN-NSHDSACASA-N 556.797 7.123 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206405383 JMOGJGDIPGPMGV-ZDUSSCGKSA-N 554.248 7.343 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206409134 OBXPOLKTVAHPET-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)sc2Br)c1C 2213621967 ZZEVOACSNGPNLZ-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(Br)s2)c(C)c1Cl 2224311714 NCZJJWIBMKAZBE-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)c(Cl)c1Cl 2232510040 LDPZEMJLYNRCSV-LLVKDONJSA-N 634.158 8.261 50 10 KKGE C[C@H](Cl)c1nc2cc(I)c(F)cc2n1C[C@@H]1CC1(Br)Br 2233038935 IUNJRVFTBXWXSM-BQBZGAKWSA-N 536.408 5.586 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1C 2256331784 QACNRMJXCDLQCR-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE Clc1ccc([C@H](Br)Cc2cccc(Br)c2)cc1I 2256358891 GARUFQUEXFGAIM-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1I 2269558101 XSYPPJQQLWMYOL-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 2293198483 ZAVCPEPULSNMKX-OAQYLSRUSA-N 531.943 5.694 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198491 ZXUGSNWEWQWCGG-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE C[C@@]12CC[C@H]3c4ccc(B(O)O)cc4C[C@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@H]1CC[C@H]2O 2296553634 FIAYIYKWRBIBQG-ILFZBGHUSA-N 634.601 6.657 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645869 RKWRWRLZRJIFTA-UHFFFAOYSA-N 574.456 5.651 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2297458599 IOYGNDVTHUKANL-QHCPKHFHSA-N 552.881 5.845 50 10 KKGE Clc1ccc([C@@H](Cl)c2sc(Cl)cc2I)c(I)c1 2301798375 JBCIZLGLOSMPOA-SNVBAGLBSA-N 529.395 6.592 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1 2313568103 RJPXLXMKESRGMS-UHFFFAOYSA-N 579.438 5.135 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1 2313568338 UXPBYWFUQVYJBS-UHFFFAOYSA-N 556.504 6.321 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 2314490539 YUVOIQMAUSHHAX-UHFFFAOYSA-N 501.917 6.976 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592428 TUBUQJPLHGPMGR-NDEPHWFRSA-N 509.675 6.800 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2cc(Br)c(OCC)c(OC)c2)cc1 2314785794 NRVLNZNYPWZJIV-UHFFFAOYSA-N 527.415 5.298 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1ccc(Br)cc1 2314793007 JUVZOTIKPOEGOO-UHFFFAOYSA-N 515.816 6.472 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1sccc1I 2316667572 RJNCSLJEBJFYPM-NSHDSACASA-N 500.037 5.912 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)NN=Cc2ccc3cc[nH]c3c2)cc1 2321698241 WNJUDVFQBUFCKS-OAQYLSRUSA-N 510.638 6.585 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 2331294499 YHOHDIJXENAJRH-UHFFFAOYSA-N 501.926 6.353 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331390355 AYWTZGSCDLNXTM-JOCHJYFZSA-N 507.999 5.894 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)cc1Br 2337281982 XMCIBHXFRPYYGN-NSHDSACASA-N 515.869 5.809 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1cc(I)sn1 2352800908 AOJLVCYWJVQRNM-AWEZNQCLSA-N 515.052 6.426 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2361193173 XUOSHXQQRGSCGZ-ZLGUVYLKSA-N 500.221 7.680 50 10 KKGE CC12CC(C1)[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362901664 VNLMNUMRGAGGFU-ZDNCDVEJSA-N 552.326 6.832 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)c(Br)c1 2365219301 PWCGJUDHNIRWNV-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2365228910 URKZKMHLDVLPTN-NSHDSACASA-N 523.899 7.334 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCCCc2cc(Cl)cc(Cl)c2)C1 2366936723 APPWVVSNOSHEBE-HXUWFJFHSA-N 528.258 6.147 50 10 KKGE CCOC(=O)c1c(CCl)n(-c2ccc(Br)cc2)c2ccc(Oc3nccc(Nc4ccccc4)c3C#N)cc12 8453847 XDUWYBIFZIFLHE-UHFFFAOYSA-N 601.888 8.111 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38659662 JFOILOOSQAGEGD-SLQAJWMNSA-N 528.605 5.808 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 38684033 KYAYEBQKMKJVMS-SSEXGKCCSA-N 528.605 5.775 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 38685475 OKYGJQHKZXVSPU-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38700723 YMLNSPVEGPIZNY-VWLOTQADSA-N 517.006 6.862 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 40812098 XOWFPMGVARQOIS-WGPBWIAQSA-N 505.530 5.522 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccccc1Cl 40846854 WNDLGGPOLCZUNM-DPNNOFEESA-N 537.100 7.171 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 40926938 WILFNACKBSRDMZ-VCMOGMFVSA-N 514.578 5.699 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Br)c1 40951387 QNTMFADLKBUMHI-NDZAJKAJSA-N 523.471 6.635 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)NC1CCCC1 59266278 YHMZPOHNVQDZIP-GZTJUZNOSA-N 504.222 5.756 50 10 KKGE O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc(Br)c1 59462932 QJZNUPBJRQWMNU-ZRGSRPPYSA-N 508.250 5.932 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 100235925 MIFOUIFVVXXFGP-ZUKORFBESA-N 599.478 5.518 50 10 KKGE CCCCCCOc1ccccc1/C=N/NC(=O)C(Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCCCCCC 100952945 OCFMFKQWMQCZNP-RIGUPBQNSA-N 598.788 7.064 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 101013397 RWQNXNLHFWKLBX-MOHJPFBDSA-N 537.645 5.178 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O 101333597 XKYSGPPJMSPNPS-VFCFBJKWSA-N 538.717 7.214 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101336236 YDIYTFNOCCZLIL-AJBULDERSA-N 604.682 6.665 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101337098 VPICCBHNJAFGGL-HLHNIQGOSA-N 571.077 6.143 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101367981 SMFHMCZCOJOXFJ-LTFAQVQWSA-N 545.035 6.755 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 101374620 KUSCWCKBGQKVIY-HKBQPEDESA-N 556.659 6.879 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101375104 PCONARKNBSIVIG-MGBGTMOVSA-N 584.713 7.010 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccccc5F)ccc43)cc2)cc1 101378729 PFQMXHWISLWPEC-JCOAXYOVSA-N 550.586 6.304 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382859 NBLTUOKQBPAMAR-XIFFEERXSA-N 595.095 7.925 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101388631 ZPDIHYZPKPUGML-PSXMRANNSA-N 617.101 7.837 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389488 BMKGHWBGNYWBQI-XIFFEERXSA-N 594.639 7.030 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)oc2ccc(Br)cc12 101391341 INDJPXDRBZBVIM-HSZRJFAPSA-N 580.232 6.704 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101393247 OTZIMAUQLRMRQT-GDLZYMKVSA-N 556.590 6.895 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccccc1Br 101394012 CKZDRZNTSOPMOX-FQEVSTJZSA-N 572.267 7.408 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 101396486 RICXHWOLDRVIFX-SANMLTNESA-N 545.060 7.561 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 101727206 GLLGUHIPSQXEBQ-AMVVHIIESA-N 572.539 7.337 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 103566018 FJVPPSUHXRCNTB-ZHZULCJRSA-N 536.407 5.205 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 103741933 AMPKMCWIQPESNG-CHTIKVTKSA-N 546.490 5.543 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccccc3)cc2)c2ccc(C)cc2)cc1Br 103749411 FGCLLRRBMQXXND-ZCTHSVRISA-N 592.515 5.926 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1 103877986 RSEIDFBGXALUQZ-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 128747740 JXHRRATUTXPVKT-CYBMUJFWSA-N 501.871 7.506 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(I)c1OCc1ccc(F)cc1 150592526 FDVPVMMXBWZUQC-PXNMLYILSA-N 630.763 7.236 50 10 KKGE CCCCCCCCC[C@@H](Br)C(Br)(Br)C(Br)(Br)Br 159205052 HPYKUSUQLFQWGK-SNVBAGLBSA-N 643.716 8.215 50 10 KKGE O=C(CCCN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 211917782 QIKUVIWSVAVDJI-QGOAFFKASA-N 537.132 5.609 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2I)cc1Br 235822305 USBASNJZRWNKHN-CQSZACIVSA-N 562.840 6.748 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 236066145 FHDSDOLHVHYAFW-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)c(OC)c1 254344388 MZIQRNZRAUGIML-UHFFFAOYSA-N 538.600 5.724 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@H]2O[C@H]2[C@]2(C)[C@H]4[C@@H](C[C@H]32)O[C@]2(OC[C@H](C)C[C@@H]2Br)[C@@H]4C)C1 254578742 IRGXIYGEVPSGHA-ZOIRSFEWSA-N 551.562 5.725 50 10 KKGE CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](OC(=O)c6cc([N+](=O)[O-])cc([N+](=O)[O-])c6)CC[C@]5(C)[C@@H]3CC[C@]12C)[C@@H]1C(=O)OC(=O)[C@@H]14 254758246 GUHFPOVODRBWFL-PNQBDOCESA-N 688.818 8.018 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OCC)c1 254808417 IOIGZWWZSUHECD-UHFFFAOYSA-N 581.754 6.581 50 10 KKGE Fc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 312392113 SXQJIKXPSNKSSS-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE CCCCC[C@H](/C=C/[C@H]1[C@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)C(=O)C[C@H]1O[C@@H]1CCCCO1)O[C@H]1CCCCO1 504711684 GGIODFRWUKSMTA-NREXQFFNSA-N 614.940 8.778 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)c(C)cc2Br)s1 688058150 CGNGDJGJVPNVBW-CYBMUJFWSA-N 503.481 6.866 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccc(C(C)(C)C)cc2)c2ccc(C)cc2)cc1 1083957414 YJLAUJMRMCQKSW-UHFFFAOYSA-N 521.683 5.427 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)sc(C)c1C 1084064670 OJZUQRKEXNSAPW-DEOSSOPVSA-N 525.671 5.312 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4Br)cc3[C@@H]3C=CC[C@@H]32)cc1 1084252867 GZSBTJREQCJVEC-GVQINVNESA-N 604.570 6.836 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(F)cc1 1084280968 VKKUJHADYJSGJQ-PXLXIMEGSA-N 505.977 5.322 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 1084655564 RGWDRRRBEGBQID-OAQYLSRUSA-N 637.268 5.325 50 10 KKGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746109 CAJWYCOTIJJMKH-UHFFFAOYSA-N 520.589 5.109 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1848436047 FFXHNCNNHASXCT-SFPWHJFYSA-N 988.212 11.054 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1865689765 WAPSHJMGZGTESU-MHZLTWQESA-N 565.432 6.492 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690419 QRVYTRHDQUARIQ-SSEXGKCCSA-N 540.623 6.404 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865691134 KGSFOZCVYPNIJB-KRWDZBQOSA-N 550.335 5.064 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696274 YTQJACLEXSFGND-SANMLTNESA-N 555.506 6.986 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OC 1865696553 HGFHSPDOKVRCGX-NDEPHWFRSA-N 552.631 5.962 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700989 IVDKZJQRVZLLRY-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702548 BLHYCIRKAIALHE-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703086 MTLDXZQFOQSJPA-PMERELPUSA-N 518.661 6.606 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711038 OOLORSZZLGQOJK-HSZRJFAPSA-N 529.424 5.435 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714315 HAIDBSKZCBBTGP-QFIPXVFZSA-N 535.387 5.787 50 10 KKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CCc1ccccc1Br 1865759702 NRDWWLKTOSBWQF-UHFFFAOYSA-N 507.215 5.520 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)c2ccccc2)cc1 1867132160 OSMZZMYKLODONK-SVEHJYQDSA-N 527.596 6.556 50 10 KKGE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867193866 HGJWXPJOATUERD-JOCHJYFZSA-N 510.623 5.384 50 10 KKGE CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867193974 JSFDRQCMTGSNGA-HSZRJFAPSA-N 524.650 5.774 50 10 KKGE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200734 MPJYFUYBPGGCJI-QFIPXVFZSA-N 545.068 6.037 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)n2)cc1 1868544726 JINQIJCXHPZZPL-PMERELPUSA-N 561.799 9.397 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCC(=O)N(CC)CC 1872792502 CCFPVRRKBZSBDE-HYARGMPZSA-N 519.667 6.146 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924594226 LUTUVJBLBUAASW-SSDOTTSWSA-N 558.742 7.827 50 10 KKGE CC(C)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2017134978 NZHGNDSQHVRJNB-SECBINFHSA-N 509.927 7.298 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)cc1Br 2032959154 VNNJMFMFGJFJHN-JTQLQIEISA-N 582.775 7.591 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2csc(I)c2)c(F)c1Cl 2081845923 XAVLQAXVKBZZGT-SECBINFHSA-N 528.381 6.531 50 10 KKGE C[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2085494901 GIKMYLLPPNIUTD-RFSVNVOPSA-N 526.288 6.584 50 10 KKGE Brc1scc([C@@H](Br)c2csc3c(Br)cccc23)c1Br 2093942277 OVYSSEFQFNDTME-JTQLQIEISA-N 545.941 7.735 50 10 KKGE CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2cc(CBr)sc2Br)CO1 2123200933 PFOINPZYIFJGFJ-CQSZACIVSA-N 523.312 5.164 50 10 KKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1)C(C)(C)C 2123370457 QGFFSBBZNVACKC-HNNXBMFYSA-N 503.300 5.970 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1scc(Br)c1Br 2138245038 ABGZQAKZDRHSNC-VIFPVBQESA-N 554.323 7.182 50 10 KKGE CC(C)(F)[C@](C)(F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471791 WBXUWVXVMMFWTA-ZYHUDNBSSA-N 548.285 7.493 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408669 KWMVLWOIBLIBII-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cscc2OCc2ccccc2)c(C)c1Br 2220156336 HALYRLJDAHRTNA-FQEVSTJZSA-N 500.683 7.797 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2226124393 JTMSLQRHQYWTDQ-VIFPVBQESA-N 528.318 8.026 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nn(C)c2C)c(C)c1Br 2235608108 IOFCCOYDGIBNGC-CYBMUJFWSA-N 529.896 6.117 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2270461984 WWIZECVUQVDLFV-MRVPVSSYSA-N 621.183 8.075 50 10 KKGE Clc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2283190646 BMXKOQNLSISHDU-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2285943630 LQOCMYOAKNHJBB-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)c(I)c1 2288351556 CSNRYAVRTGJPMX-NSHDSACASA-N 601.248 7.232 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293031309 GPCMEYDLSVHEND-UHFFFAOYSA-N 559.272 7.609 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CC[C@@H](C)C2 2297459107 BGBCQNKOHXJIGZ-CQSZACIVSA-N 539.997 6.417 50 10 KKGE ClC[C@H](OCc1ccc(I)c(Br)c1)[C@@H](I)CCl 2306298886 XYRVWVYMBRWHPQ-QWRGUYRKSA-N 563.826 5.220 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313567965 QQOAAMBGTISVBW-UHFFFAOYSA-N 587.474 5.921 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571523 YGOFUHRBMUZDDY-UHFFFAOYSA-N 628.091 7.485 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314490901 LXWJIGFVSUJVPW-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3c(Cl)cccc3Cl)o2)sc2c1CC[C@@H](CC)C2 2314571858 NIYQUILLNYJMHO-OAHLLOKOSA-N 543.472 7.552 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314617118 QZLITDCHUJPPMU-JOCHJYFZSA-N 540.623 5.698 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 2314619068 ZHKHCBYPBQUGPM-UHFFFAOYSA-N 561.617 6.045 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634313 BLKVIPMRYBNBPZ-GDLZYMKVSA-N 510.546 5.106 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634321 CCBREUXBLJWZLT-HKBQPEDESA-N 524.617 6.491 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 2314634887 ZTSOJKBYQFVLGS-GDLZYMKVSA-N 531.008 6.220 50 10 KKGE CC[C@@H]1C[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2320391861 YAMMPYSPWMJSQD-BRDIYROLSA-N 524.316 7.453 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc(Br)c1OCc1ccccc1 2331051525 HOTKSMXRRKYUCR-UHFFFAOYSA-N 523.339 5.780 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(F)cc2)cs1 2331343760 QCDSOOFRJGDKFS-UHFFFAOYSA-N 501.926 6.353 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361472 WQAFIUGPELPVFZ-QHCPKHFHSA-N 501.608 5.939 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1scc(Br)c1Cl 2339684254 LYAGZJKFPKJMRQ-VIFPVBQESA-N 556.314 7.621 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 2353075468 BBUIZMBSQSFDJB-VIFPVBQESA-N 572.769 8.135 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(I)c(Cl)c1 2360425812 GBYQZDZSXIGZHQ-NSHDSACASA-N 573.252 7.637 50 10 KKGE Cc1cccc([C@@H](CI)OCc2ccc(Cl)cc2I)c1 2365644768 HVKVKRDNUXUTSH-MRXNPFEDSA-N 512.556 5.946 50 10 KKGE Fc1ccc([C@H](CI)OCc2c(Br)cccc2Br)cc1 2366144247 CKULQHBRCPLVRI-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491618 RQBOAHXEEFRYAJ-LHLOQNFPSA-N 572.669 6.062 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(=C/c1ccccc1)c1ccccc1 40926855 JDYAQSZXCXSDSN-SAOJDSSTSA-N 518.569 6.048 50 10 KKGE O=P(OC(CBr)CBr)(OC(CBr)CBr)OC(CBr)CBr 95904214 RZEYUZWXPABTCN-UHFFFAOYSA-N 697.613 5.620 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1c2ccccc2cc2ccccc12 100061961 WHDLSJYRGBHDCY-FJEPWZHXSA-N 562.261 7.200 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]2Br 100848553 CHZRDFREJJMGHM-RLCCDNCMSA-N 548.928 6.618 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 100883625 HZFYMXXNFGJBBA-MIXAMLLLSA-N 570.045 7.249 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244939 TVIPCRYEINWDCU-RAMZYJDASA-N 502.039 6.276 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 101246892 SLPTVMGUZZMPNT-NNHPPCHPSA-N 562.489 6.140 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101333870 ZRFCEMRNVIIFBB-STBIYBPSSA-N 563.057 6.772 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379606 UMUNSVJNYDTOKJ-PMERELPUSA-N 583.984 6.030 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382942 ADVKAHPJJXMHBW-MGBGTMOVSA-N 595.095 7.419 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612188 GGZYQOCFFVIHDA-RDRPBHBLSA-N 612.251 5.987 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1 101719778 SZGIKOQMVISULB-LICLKQGHSA-N 530.191 6.475 50 10 KKGE CCOc1ccccc1N/C(SCc1ccc(OC(F)(F)F)cc1)=C(/C#N)C(=O)NCc1ccccc1 102738821 SBRGJDVTAWRESU-XTCLZLMSSA-N 527.568 6.381 50 10 KKGE Cc1ccc(N/C(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)=C(\C#N)c2nc3ccccc3s2)c(C)c1 102931113 RQKAXZMQPILUOR-QQTULTPQSA-N 554.619 7.488 50 10 KKGE COc1ccc([N+](=O)[O-])cc1N=P(/C=C1/N(C)c2ccccc2C1(C)C)(c1ccccc1)c1ccccc1 102944873 VZPJFZLURZMNAW-JBASAIQMSA-N 523.573 7.356 50 10 KKGE N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C[C@@H](CCc3ccccc3)CC=C12 103116555 SRQCPSKVQAEBDF-BYKKXRHASA-N 524.422 5.008 50 10 KKGE C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103877694 XUVIQTYYTXLFPL-ZCTHSVRISA-N 544.449 6.553 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103879430 IUXYVUKXZWUBPE-XODNFHPESA-N 617.250 6.608 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3ccccc3oc2=O)cs1 110571137 BEEWBRWZMQMPQG-MFOYZWKCSA-N 557.569 5.363 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150429956 NFPPHVJUZZQHQN-JEHQLEFQSA-N 639.148 8.032 50 10 KKGE CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 150595825 GPHIFMJTBGOCGK-QSYCELOLSA-N 684.149 6.634 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 205657221 WCTTXOGSSWWSCA-ACYSTDMFSA-N 526.589 5.576 50 10 KKGE CCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 214373806 GRVFPQBMANIIJB-ULJHMMPZSA-N 532.637 5.506 50 10 KKGE C#CCOc1ccc(Br)cc1C=NNC(=O)COc1cc(C)c(Br)cc1C(C)C 252590551 ATGIQVHPKVSKTI-UHFFFAOYSA-N 522.237 5.185 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254484729 YYLFBXFMVQQLNL-AQSCMKOKSA-N 505.659 5.793 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 254817563 YZWCBEGBHHIWBE-UHFFFAOYSA-N 566.783 8.635 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1OC 254877073 ANCYBMZNVWBZLH-UHFFFAOYSA-N 524.693 5.633 50 10 KKGE Cc1ncc(CCl)c(Oc2c(I)cc(Cl)cc2I)n1 388142819 OMGSBGMVNDAAHK-UHFFFAOYSA-N 520.923 5.179 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(Br)c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@@H](Br)C[C@H]21 504280212 YPBNVVVXYCUEAB-DPUZKOMTSA-N 653.943 5.624 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 575625238 CBYATNWDDXHUQS-MZYMWAGYSA-N 781.541 9.191 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)cc1 616681432 ZYKXYCTZNOHSIW-NDEPHWFRSA-N 507.772 6.587 50 10 KKGE CCCC(=O)OC[C@]1(C)C=C(C=O)[C@]2(C)[C@H]3C[C@@H](F)[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 653737386 LLVADGWGMNRZTI-YWNGUQQISA-N 556.759 7.020 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2scc(Br)c2Br)c1 707808418 SROLAKYFYJKDJO-SECBINFHSA-N 568.748 7.282 50 10 KKGE COCCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721573332 QZMVIIZJFLJLDP-INIZCTEOSA-N 510.007 5.727 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc2c(cc1Br)OCC2 721609455 GZXCRJFMTQDIKB-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE CC(C)(C)OC(=O)NCc1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237780 NBFCCTDVSXGMGU-HSZRJFAPSA-N 582.044 6.743 50 10 KKGE COc1c(C=NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 1081098362 SHNPHGVHBOFCHH-QFIPXVFZSA-N 672.163 6.603 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1 1083892609 ONTYYSOGTOJRLD-YBFXNURJSA-N 560.250 7.748 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1C(F)(F)F 1084008203 ZIWAUKPKRZUKGD-UHFFFAOYSA-N 563.907 5.723 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2ccccc2o1 1084076044 BDVCQZNZHRAEET-UHFFFAOYSA-N 541.301 5.289 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084116771 UCQWQNWDARQJAR-UHFFFAOYSA-N 534.863 5.147 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 1084125081 KISVIOYEXSQLQG-UHFFFAOYSA-N 507.656 5.119 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084142544 WBHVUVGJJJFDJR-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084333802 ZRQCCSGSRHRYRS-UHFFFAOYSA-N 599.496 5.375 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 1084480013 MUYQFMTYCCXQCY-UHFFFAOYSA-N 579.619 5.920 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084600637 PWGAZNFUPPFAGL-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE O=C(NN=C(CNC(=O)c1ccccc1Cl)c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1 1088739741 QKQZPPYGHBJBIU-UHFFFAOYSA-N 508.859 5.334 50 10 KKGE COC(=O)N(C(=O)N/N=C1/c2ccc(F)cc2C[C@@H]1N(C)C(=O)OC(C)(C)C)c1ccc(OC(F)(F)F)cc1 1613989250 RFAUTSGTOWMCEX-ZFTZTCMFSA-N 554.497 5.203 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772755176 SDWPGKXPSJATDA-UHFFFAOYSA-N 572.937 7.047 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865694957 GPUONPGKSOHUJQ-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696387 FJLGDOIOVHSFLF-XIFFEERXSA-N 570.693 7.216 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865696557 HMAASDIOEUFZIF-OAQYLSRUSA-N 516.495 5.495 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700795 DNGKAOYEHKCCAI-LJAQVGFWSA-N 567.476 7.692 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865701807 FXBCBYHQKHNLTI-MRXNPFEDSA-N 527.703 5.723 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705820 GOLZBIQDIQYRRE-HSZRJFAPSA-N 500.942 5.134 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867180835 XQWXUSXHDDWLPO-MUUNZHRXSA-N 570.740 6.385 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C(C)C 1872753528 BGONPLWCTODEEA-KHJVFXTQSA-N 503.451 7.818 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)cc(C)c1F 1924608201 FHWWZLVQMOOHMD-VIFPVBQESA-N 535.896 7.276 50 10 KKGE C[C@@H]1C[C@@]1(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782675 JVFAFIVWYOYWLV-ZEONFMBXSA-N 558.703 6.921 50 10 KKGE FC1(F)C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784629 XHIXYBCWGDRREZ-NOWQDGDBSA-N 562.666 6.828 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1cccc(Br)c1Br 2031479561 NJTXFYHLWYTOAO-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE Cn1ncc([C@H](Br)c2cc(C3CC3)c(Br)s2)c1I 2033643675 UEGWIHYMJDLJAN-JTQLQIEISA-N 502.013 5.210 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1C 2039507605 UMPOHINHHZDUSI-ZETCQYMHSA-N 513.929 7.743 50 10 KKGE CC(C)Cc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 2087339809 WCMGYLXGSAYHJP-OAHLLOKOSA-N 514.064 6.798 50 10 KKGE CO[C@@H]1C[C@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2141469967 YAYODKVUSPSSFE-CCOPYSIBSA-N 538.299 6.442 50 10 KKGE C[C@]1(C(F)(F)F)C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395278 NHDZIDWFMGZLLU-FCBCCEKLSA-N 608.710 7.761 50 10 KKGE Cc1ccc(F)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398675 XPPAHFBJIBRJJS-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232512625 OCTWWLCWIAREBH-NSHDSACASA-N 526.252 7.795 50 10 KKGE ClCCc1nc2cc(Cl)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2233039850 MTIKADGLWJKVAL-ZETCQYMHSA-N 505.863 5.740 50 10 KKGE Cc1cccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c1I 2236112250 YKIXEDXVRXLFBD-NSHDSACASA-N 519.924 6.264 50 10 KKGE COc1sc([C@@H](Br)c2c(F)cccc2I)cc1Br 2255965939 MGMKESYISLIHMK-LLVKDONJSA-N 505.972 5.747 50 10 KKGE COc1c([C@@H](Cl)c2c(Br)sc(Br)c2Br)csc1Cl 2256860742 RNQNGJTVIKCIPJ-ZCFIWIBFSA-N 515.901 7.087 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1F 2279147997 APGPQWAJQTYQQD-CQSZACIVSA-N 532.416 6.900 50 10 KKGE CC(C)(C)CC(C)(C)NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1 2295672200 AIXFBSVAUFTFJT-UHFFFAOYSA-N 537.420 7.285 50 10 KKGE Cc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(C)c1 2296548472 VVFHERLXPOSIID-NDEPHWFRSA-N 608.163 7.851 50 10 KKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1Br 2300954420 XKVKVKUTGIEFSA-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2ccc(I)c(Cl)c2)s1 2300994211 MCBMXSLXTKFYFF-JTQLQIEISA-N 529.395 6.592 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)NCc1cccs1 2313540752 RRTUNQBVSJKIEK-UHFFFAOYSA-N 532.257 6.075 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(I)cc1)C(=O)NCCc1c[nH]c2ccccc12 2313557099 TVXRXLPJYNSIRA-UHFFFAOYSA-N 547.396 5.617 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1Cl 2313567123 GRSKSXHRVSBIEQ-UHFFFAOYSA-N 542.079 6.302 50 10 KKGE Cc1cccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1I 2314496753 DYYBYMRDAUQBCZ-FQEVSTJZSA-N 527.627 7.269 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@@H](CC)C2 2314572318 YMJFDDZKWIDVDF-OAHLLOKOSA-N 543.472 7.552 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592071 LHHYRXBVEGJTPF-RUZDIDTESA-N 551.590 6.478 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592144 MMJXUFRQBGYVJV-RUZDIDTESA-N 501.583 5.462 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314618048 GHBFGCOHJAPXSM-OAQYLSRUSA-N 529.556 5.801 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314618604 QGFSSZAUHQZKMW-UHFFFAOYSA-N 546.627 6.268 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 2314634858 WCTTXOGSSWWSCA-SSEXGKCCSA-N 526.589 5.576 50 10 KKGE ClCc1cc(Br)ccc1Oc1cc(Br)cc(I)c1 2316757545 DDCCNJJHDCNXMO-UHFFFAOYSA-N 502.371 6.347 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)cc1OCCC 2331293249 MXGSUASTRSRWAI-UHFFFAOYSA-N 503.451 7.730 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCCc1ccccc1 2331463671 ZIRXANCOXNNJFC-UHFFFAOYSA-N 524.686 7.945 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)sc1Br 2335367978 BJOYHRICLYCFQY-QMMMGPOBSA-N 576.732 7.966 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354874923 KAGXHDDHZWTVMR-GUDRVLHUSA-N 505.541 7.969 50 10 KKGE CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 10683211 SVOYUAKBWYZFGT-UTKZUKDTSA-N 513.432 5.500 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N1CCCCC1 33383236 CKJQTFZMEYIDBZ-NCELDCMTSA-N 506.581 6.177 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 38682709 RXGJZXUSRGEQAV-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 38686391 FCINPXKDGHDGAH-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 38686439 QQOMPVDVLUWQPL-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1OC 38688640 XVMLZGATWMORKA-AREMUKBSSA-N 510.546 5.813 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813741 PPNKKQZESGVYAE-MWAVMZGNSA-N 507.373 6.738 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1C 40947774 LWXZPVLKXRQQHZ-LQKURTRISA-N 518.664 5.734 50 10 KKGE Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1Br 100212873 AEQMVUNMDPAXSV-UHFFFAOYSA-N 591.325 5.091 50 10 KKGE CCOc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 100231945 RQEHKQKJHMAXRH-GRIZMQLISA-N 556.413 5.299 50 10 KKGE CCOc1cc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc(Br)c1O 100869656 STVYFOYGAZUZAK-MUXKCCDJSA-N 569.253 6.295 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OCC 101374031 CRHSBYINVCRXDM-MUUNZHRXSA-N 597.495 7.407 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383665 PQBPRHCHCNENOM-SSEXGKCCSA-N 591.422 6.914 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385178 XPYKOPGAYTURQR-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101386280 QCYLNWMBXLNDBH-KKIUXKEOSA-N 601.030 6.658 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386908 FQCXLBKCEPQYJG-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389151 HQCKQQZVGPCIAY-NMRUTFGKSA-N 622.693 7.518 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389835 LLVDXHULTVWJDC-MUUNZHRXSA-N 577.420 7.001 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399861 AIQNDMOTVCMVSB-JGCGQSQUSA-N 625.052 7.949 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OS(=O)(=O)c1ccccc1 101853736 VCLATLUMMKOSSE-WJDWOHSUSA-N 536.915 5.681 50 10 KKGE N#C/C(=C/c1c(-c2ccc(Cl)cc2Cl)nc2sc3c(n12)CCCC3)c1cccc(C(F)(F)F)c1 102664844 UTQDBEYCUMTJPO-PTNGSMBKSA-N 518.391 8.331 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)sc(C)c1C 102924785 CNKOEJPEBYKBCH-QGOAFFKASA-N 527.627 6.901 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/C=C/c3ccccc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103706977 WQYGQLPTFHLAOX-YPEKEWQWSA-N 536.682 6.330 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 105134195 NMAFXJDMLBFLKS-BKUYFWCQSA-N 535.581 6.007 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)s1 128876051 GHNOISLQQJZLIK-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430366 SOSBPHGIWGGMRW-YTTGMZPUSA-N 643.092 6.781 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1Cl 150477952 MJIAMBRHXDIJNS-WJOKGBTCSA-N 639.576 8.433 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)c2ccc(C)cc2)cc1Br 164600408 GGRQNDATCQBHQL-UHFFFAOYSA-N 668.698 8.552 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205657579 DBAWYMAKLFVVDJ-JBXJFQBWSA-N 554.643 6.500 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1OC 206261528 FYAIEZDLJGJRSF-QJOMJCCJSA-N 532.662 7.105 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 214395152 VEBCQTOGQIDLLH-GTWSWNCMSA-N 572.665 6.519 50 10 KKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(I)ccc1Br 232475240 PPYLIAHEZFIPRZ-ZDUSSCGKSA-N 510.951 5.641 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 232483313 KKQJAADYGKAKEO-NSHDSACASA-N 536.852 6.362 50 10 KKGE CCOc1ccc(Oc2c(C=NNC(=O)COc3ccc(C(C)(C)C)cc3)c(C)nn2-c2ccccc2)cc1 254348053 GLAKFUSFXBBZKR-UHFFFAOYSA-N 526.637 6.198 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2 254484401 NWNKNODMWITNQR-UHFFFAOYSA-N 508.621 7.658 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2C(=O)O[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]13)[C@H]2Cl 504374661 DDCCFIREQZTEMS-XRROCSNZSA-N 597.265 6.572 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]34OC(=O)O[C@@H]3C(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C4(C)C 504395055 IAVYJZKSOXQISM-WSCUBGHYSA-N 740.875 5.043 50 10 KKGE CON=C[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]1O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C 575448391 IBUWRFQPAQWUEY-UWKMISBXSA-N 948.803 9.752 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](Cl)COC(=O)CCCCCCCCCCCCCCC 605695289 MSSKDAMSUZXNRB-OZKTZCCCSA-N 613.408 12.199 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@@H]1c1cccc(CO[Si](C)(C)C(C)(C)C)c1 616678441 IEMINCCFONPMSA-NDEPHWFRSA-N 511.899 8.178 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)ccc2C)c2ccccc2[C@H](C)[C@H]2CCC[C@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 642771938 UQIJHRAONIAHRK-BBUGFLLWSA-N 654.859 10.317 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)cc1Br 705438136 KDPRBECTSSXYOA-JTQLQIEISA-N 519.878 6.529 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1 1083907555 FEFLGBOHFVYWLX-UHFFFAOYSA-N 529.460 5.765 50 10 KKGE COC(=O)c1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 1083956099 LURDEKXWJIWECQ-UHFFFAOYSA-N 530.628 6.411 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1083994830 RCJQKDWAKRMORN-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084079244 VCZVTPYVQFDTRT-KGENOOAVSA-N 571.302 6.591 50 10 KKGE COc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1 1084137242 SKPINKFHXRSWCW-UHFFFAOYSA-N 694.795 7.007 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084339402 SEMTUJBHHDXCAA-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE O=C(NN=Cc1cc(Cl)ccc1OCc1ccc(I)cc1)c1ccccc1Br 1084540974 YUVXLYOSBXIXAO-UHFFFAOYSA-N 569.624 6.050 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 1084592767 DXCXPBIHTBDCLH-UHFFFAOYSA-N 518.400 6.589 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1F 1084652585 DGULHDMXFZJGLI-UHFFFAOYSA-N 621.675 7.664 50 10 KKGE C/C(=N\NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526368 LUVQMDGKILTIRG-XHPVRDNFSA-N 612.727 5.133 50 10 KKGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747528 PMRVQITWSACNBO-UHFFFAOYSA-N 521.573 5.384 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749844 QCCKDVJUVBDIIB-UHFFFAOYSA-N 558.418 5.559 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCC(C)C 1772754927 AHWOPGDRAPYMNE-UHFFFAOYSA-N 562.555 6.639 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 1772754989 FDIWRANRDHULFT-UHFFFAOYSA-N 695.886 8.209 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)c1 1865685478 JNCISUCRSLDYBC-DEOSSOPVSA-N 501.417 6.740 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685846 NGINYPDIVCDLTJ-JOCHJYFZSA-N 504.924 5.757 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688432 RWTATHSUTRWFBA-DEOSSOPVSA-N 557.448 5.992 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865691071 IMEFCIYYTBTFNN-MHZLTWQESA-N 557.050 6.607 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865691204 MLWBYFZILXWEGZ-PMERELPUSA-N 564.686 6.793 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865692767 PDVAAVWCKXFREG-VWLOTQADSA-N 565.512 6.361 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696663 PWBLYENHNHEKPT-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865700826 FHRZLWAETHPGGX-AREMUKBSSA-N 543.023 6.038 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704361 UFKWTUBAIXFDCS-SANMLTNESA-N 514.988 6.083 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708181 PWPLQNXXJDWLCV-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865710980 MYXSEFVSMZNALN-HHHXNRCGSA-N 522.605 5.459 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1 1866126844 ROYMWINXNZIDHC-IZZDOVSWSA-N 514.999 5.528 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139553 QHKYPGXXERPSSW-NOZRDPDXSA-N 554.137 6.320 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867210003 ZQVRCXPUQRETDV-SVBPBHIXSA-N 568.164 6.710 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868300845 JBOSYRRWYWYXQS-JGCGQSQUSA-N 543.671 8.060 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)n2)cc1 1868528140 NTCYQWYCMDIJQW-AREMUKBSSA-N 544.080 7.090 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)nc2c1 1872728415 ANDOIHJIISZORG-GIJQJNRQSA-N 506.345 6.072 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 1872743559 ATHHINIPONTKQK-VEWKBMDPSA-N 505.599 6.821 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752430 BOIXDPSWPBMVGQ-GFPZRUSRSA-N 521.554 5.239 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1C 1872754240 JQKFJTZQBATQRK-UZYVYHOESA-N 502.552 5.431 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1 1872758254 SBHHUFMYHUXZRN-FJGOLAJPSA-N 500.001 5.547 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758477 BXBOOGNLEWJVTE-BOLJVCIBSA-N 512.462 7.087 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCC)c(OCC)c3)n2)cc1 1872791697 QROLHJINWLFJNI-LHLOQNFPSA-N 518.723 8.801 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923073688 ZJWJVUAWVDUEHX-ZCFIWIBFSA-N 528.289 5.907 50 10 KKGE FC1(F)CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924591254 OUYIAUOIMNKSSP-FSPLSTOPSA-N 531.880 7.297 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(OC)c1 1924602047 RBJUFSWKLNYLRB-SNVBAGLBSA-N 549.904 6.537 50 10 KKGE Brc1cc([C@@H](Br)Cc2ncccc2Br)ccc1I 1924870296 GXNOKOVKBREYLO-JTQLQIEISA-N 545.838 5.890 50 10 KKGE Cc1cc(C=C(C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 2053623282 PHJCELNOSGLPCF-UHFFFAOYSA-N 513.991 8.090 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085499174 SBAKYURQSLGDSS-WHFBIAKZSA-N 578.709 7.464 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cnn(C)c2I)c1Br 2136383620 HJZHAHGAWDTKPS-LBPRGKRZSA-N 562.869 5.651 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(I)cc1 2138241784 GUFVUIYIZKFZSG-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC2(CC2)CO1 2141471962 YGDMYIMNGIANGV-PRHODGIISA-N 538.299 6.586 50 10 KKGE CC(C)CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141472069 ZJBMQVAMBJDXEN-ZDUSSCGKSA-N 538.343 7.843 50 10 KKGE C[C@H]1Cc2cc([C@@H](Cl)c3csc(Br)c3Br)cc(Br)c2O1 2150337841 UNMKYCZUEHODJR-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)cc(Cl)c2OC)c(Br)s1 2203000523 UGGKWQZRBHYXMC-SNVBAGLBSA-N 504.469 6.377 50 10 KKGE FC(F)([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCOC1 2206395160 MKOUVOJVJAFFBH-GCXOYZPQSA-N 562.268 6.688 50 10 KKGE CC1(C)OCCO[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396492 XQANCNMETGSKBN-NEPJUHHUSA-N 556.314 6.211 50 10 KKGE Fc1cccc(Cl)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406311 XVYQXBFPOINSCO-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2207260647 HGPXLOAXAFKASF-AWEZNQCLSA-N 578.839 6.448 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232513300 WRJGPAJQFUVTGW-LLVKDONJSA-N 542.707 8.310 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)c(I)c1 2236105675 AKLKMLNEGGPTTG-NSHDSACASA-N 523.887 6.094 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2277985400 OYOKSECZLVIDTO-JTQLQIEISA-N 509.872 7.073 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2c(F)cccc2I)cc1Br 2282786537 GZXJKKULUDWIKR-CQSZACIVSA-N 534.388 6.339 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 2294610260 SOPUVCDECLALCY-UHFFFAOYSA-N 502.292 5.703 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=CC(Cl)=Cc1ccccc1 2297509641 GZTFTPGTJBKPBM-UHFFFAOYSA-N 535.094 5.800 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492951 JREOVPPCFDFPDA-SFHVURJKSA-N 531.107 7.645 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1 2313518643 NAGWDYQKSQDLGM-UHFFFAOYSA-N 510.331 5.424 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Cl 2313521282 COYLPEZZWDBDSU-UHFFFAOYSA-N 572.830 6.695 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313567800 LCHINEPVRYJTTR-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571142 OFIHKISPPVVSMY-UHFFFAOYSA-N 605.530 8.841 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 2313676889 ULIQZIYWEFNYII-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 2313724661 RIIUOIVCVPQAFY-UHFFFAOYSA-N 519.292 6.732 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314449159 NSMIWRVKGKYTTD-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314454950 KHVIYBBKGAHASV-OAQYLSRUSA-N 572.078 7.425 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@H](C)C2 2314571985 PZYAQWSGYCGJQF-INIZCTEOSA-N 546.048 7.057 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592986 FLSVDXHRVUEYES-ZTOMLWHTSA-N 539.701 6.341 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593638 QJAOVJVEZUIYCC-VWLOTQADSA-N 551.590 5.847 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314620748 UIAGGDZXWCVOMH-UHFFFAOYSA-N 546.602 6.178 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)cc1 2314646898 TWXKEWMGXGHRKE-HHHXNRCGSA-N 618.715 5.081 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 2328824685 UEOPMSWZJQUYST-QFIPXVFZSA-N 508.446 5.962 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(Br)c(OC)c1OC 2331320375 GOCREXSBQGIYSX-UHFFFAOYSA-N 505.365 5.996 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464590 VSLVPXCLFIKMCP-UHFFFAOYSA-N 500.579 7.886 50 10 KKGE Clc1ccccc1[C@H](CI)OCc1c(Br)cccc1Br 2366144110 AZWYTGDHZJZERO-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1ccc(I)c(Br)c1 2377289122 ACHWPQOYRKVWGV-UHFFFAOYSA-N 574.876 6.599 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2scc(Br)c2Br)c1 2381250723 YKWQFBSNGMBNKJ-NSHDSACASA-N 547.932 7.091 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)c(Br)s2)c1 2381255381 XFCYACJPUFDIJT-LBPRGKRZSA-N 547.932 7.091 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 3242701 OYHAXGIFEBKDGM-WOJGMQOQSA-N 527.802 6.244 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OCc1ccccc1 6600420 PHPBUHVOMILRSM-ZDLGFXPLSA-N 540.345 6.020 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C=O 8437611 VZSPQCMFLSGTPO-UJOXVDDTSA-O 648.795 6.257 50 10 KKGE in-vitro N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1 33777877 UBNPPTLLVVLBHZ-SLQPCKNISA-O 505.450 5.872 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1F 34988520 ROGOGPUMDRKGEL-PGMHBOJBSA-N 505.553 6.570 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2)cc1 35446158 QMUNSNLKVBPVCK-DSZCBWBRSA-N 518.617 5.629 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)oc2ccccc12 38687854 UUQCDTPBRPNGEZ-HSZRJFAPSA-N 501.336 5.941 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)c(C)c2c1 40530264 CVHNHQNXHOVWBZ-MUUNZHRXSA-N 506.602 7.039 50 10 KKGE CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1Br 40950848 JZRQIOOOVKPZQB-WYMPLXKRSA-N 512.242 5.437 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C(=O)O)cc1 58895152 HBHDFSWIHNTFGM-XTYFKDDUSA-N 516.594 5.055 50 10 KKGE COc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914833 SXZVJQBSBOBUCK-DZMFODKZSA-N 507.458 5.361 50 10 KKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1 97915117 SYUNGKJYLKKBPV-CUBQBAPOSA-N 529.077 5.263 50 10 KKGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 100082738 HBMXBAJWSJXBKE-UHFFFAOYSA-N 601.320 5.161 50 10 KKGE CCC/C(=C\Oc1ccc(C(=O)c2ccccc2)c(O)c1)C(=O)OOc1ccc(C(=O)c2ccccc2)c(O)c1 100112661 LTJVMKDDQOZGQW-BSYVCWPDSA-N 538.552 6.160 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100335733 CASPRAZECVLDIU-GIJQJNRQSA-N 593.248 7.040 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100452533 UASKNSNBWRVMEG-OXOGFPMKSA-N 552.425 5.629 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 101034079 ZRPIWTVXHAYRQN-JJIBRWJFSA-N 578.653 7.995 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 101115689 VOSWRVHYPCJCDX-ATVHPVEESA-N 538.913 6.322 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101293525 QVMKSGJOPWHBQD-WJOKGBTCSA-N 530.580 6.268 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101337747 SULPGSUZKWNTQK-GQRGRSSYSA-N 608.673 7.611 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101338072 LSIYRSQKHTYLGE-TURZUDJPSA-N 560.629 6.302 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OC)c2)cc1 101367730 KRFXNZNZWILNEE-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101368164 INTWBADIDMMMJK-HKBQPEDESA-N 556.659 6.880 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101373309 ORAIRQLUAAEBNT-JEVDYFGZSA-N 521.356 5.617 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OC 101375630 DMGJKUIBGXYPNJ-HKBQPEDESA-N 526.633 6.411 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379561 PXGVAOXXQFNEIX-SSEXGKCCSA-N 617.883 6.884 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383250 PVIYZZDZVUCBMR-PMERELPUSA-N 553.014 6.755 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)sc2c1 101396324 JMMDPIDAASEJRK-HHHXNRCGSA-N 559.087 7.725 50 10 KKGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1 101573139 GMUUQUQEYUSMRT-UHFFFAOYSA-N 521.714 5.304 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@@H](C)C2 102665438 MBORIWWEWWWVIQ-WIZMWCRPSA-N 539.451 6.618 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 102851810 GKSABVKMWJDQQU-JCMHNJIXSA-N 550.434 5.459 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)[C@H](F)Cl)c(Cl)c1Cl 103185439 FIKJMANZVNWJOD-KJEZJMDVSA-N 509.667 5.468 50 10 KKGE Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 103871901 QNMPNBHPTKPGCO-NSKAYECMSA-N 583.664 5.500 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2cc(Br)ccc2o1 103879467 KMNXGADDMKUUOA-LUOAPIJWSA-N 563.191 6.753 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 103879687 BUIRNUCKFSQEGZ-KKMKTNMSSA-N 593.190 6.282 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118920985 ZODHPXNJFNZLJV-QSXBXCQQSA-N 597.722 9.946 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430126 BOQPZBHHAUPWFJ-XIFFEERXSA-N 631.512 7.482 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 150430668 KZWVFWISGBERHA-ZZJXEYPFSA-N 763.208 6.600 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433279 QDJMOLPBVZQMRW-YTTGMZPUSA-N 651.930 7.827 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 150461488 KNHZFJWXPKWQEN-LJAQVGFWSA-N 637.903 7.680 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150480608 XJIDKFCIEXZIQX-NDEPHWFRSA-N 622.302 7.772 50 10 KKGE CCC1(CC)[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 155256269 SWLXSYUNWJJBLG-NEPJUHHUSA-N 660.897 6.221 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@H]3C(=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C4(C)C 195896847 IAVYJZKSOXQISM-VECNKZNOSA-N 740.875 5.043 50 10 KKGE in-vitro CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214234755 KZQNQPAOFAOOOL-COEJQBHMSA-N 574.656 7.040 50 10 KKGE Brc1cc(C(Br)c2cc(Br)sc2Br)c(Br)s1 232456959 BVXVCNSPBWDETH-UHFFFAOYSA-N 574.777 7.344 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)c2ccccc2)cc1 239229084 URDTZYYSLOPJPU-KYJUHHDHSA-N 562.651 5.045 50 10 KKGE CCCCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530167 KCEQSXCXMOAMQF-HKUKOVQKSA-N 561.335 10.908 50 10 KKGE biogenic CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2cc(C)ccc2C(C)C)c2cc(Br)ccc21 254514162 LACIVVAWOHMQSJ-UHFFFAOYSA-N 571.560 5.987 50 10 KKGE COc1cc(C(C)=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1OC 254615318 GMFLEASLQBNCIE-UHFFFAOYSA-N 510.590 6.112 50 10 KKGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=Cc1cccc(Br)c1 254630988 NVVGAOUJLBQCGY-UHFFFAOYSA-N 568.889 5.299 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019415 ZWWUASGAUGUJJG-RERICCOGSA-N 972.087 10.526 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 504082860 ZFRWPAYPCFTQHK-CJXYESMESA-N 701.893 5.876 50 10 KKGE C[C@]12CC/C(=N\NC(=O)c3ccncc3)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\NC(=O)c3ccncc3)CC[C@H]12 504372748 ZYEHQFGKBKGWDM-YANLLCKUSA-N 524.669 5.311 50 10 KKGE CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O 504746375 LBWTYBJDVVQBIH-OCKUFXKISA-N 787.131 7.506 50 10 KKGE C=CCO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@@H]1OCc1ccc(OC)cc1 575448983 BYYSROQZXICJTR-DRTMTWGASA-N 698.929 6.039 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(Br)ccc1Br 721605404 SURRNZDFQGFLEJ-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccc(Cl)cc2C)cc1 725388726 LQAGDMOIRNPODX-UHFFFAOYSA-N 567.086 5.849 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccc(Cl)cc1Cl 1083931914 XPYFDIZNNMOUCM-OCKHKDLRSA-N 560.275 7.506 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Cl)c3)c2C)cc1 1083969222 AJQWXOPIDDTZCY-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1Cl 1084131902 HZFIPDWSNMUFAD-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(I)cc1 1084343083 CJVPAVUZFDJTFR-UHFFFAOYSA-N 698.149 7.304 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 1084365300 FJTUDYOIHXETRR-UHFFFAOYSA-N 600.579 6.534 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c2ccc(C)cc2)cc1 1084513419 MKYKOYHOZJXSIK-UHFFFAOYSA-N 560.745 5.778 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(C#N)cc1 1084517179 FMEKBNOXDWFNJB-UHFFFAOYSA-N 512.791 5.716 50 10 KKGE C[C@@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1614015198 KENYEGMSTFIWOC-XEAZLXTBSA-N 522.886 5.722 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865694161 QRSGFUXJOZGRFQ-KRWDZBQOSA-N 505.294 5.270 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694304 WKYSARPXXXPMQE-MHZLTWQESA-N 555.476 6.693 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704838 FVMKFNXRWSQLTD-RUZDIDTESA-N 545.426 6.238 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712221 SMBSOIPJOGXTNY-WJOKGBTCSA-N 555.638 6.206 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712397 XKDDKKDNFAQOFX-SANMLTNESA-N 560.576 6.688 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)OC2CCCCC2)c1C 1866128826 OEIOAGANDJSWFY-GHRIWEEISA-N 545.455 6.031 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C(=O)OC2CCCCC2)c1C 1866215277 LKPZCYPWAZECKX-CAPFRKAQSA-N 540.638 5.294 50 10 KKGE Cc1ccc(CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867230497 KVAIBQVOCCYPDL-XMMPIXPASA-N 554.535 5.930 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4nc5c(s4)CCCC5)CC3)nc(Cc3ccccc3)n2)cc1 1868208296 ZADYPLKBWZCEOF-UHFFFAOYSA-N 538.746 7.103 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868300856 JGKUBFMCLBQZBQ-QHCPKHFHSA-N 555.729 6.459 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455917 HBTSOFFZJZCYPA-XMMPIXPASA-N 516.045 7.464 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 1872758122 MIGWMYVKNHFERU-CHOFAJOMSA-N 519.848 7.112 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cnn(C)c2I)c1Br 1922888953 SZDFRFSGZJUSTC-ZETCQYMHSA-N 510.420 5.248 50 10 KKGE COc1cc(Cl)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924599585 JNTNSFYEKLJBEM-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924609175 SWXKYGHOCBUIAT-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE CCC(CC)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025778929 AMLAFZLAZDGDST-SNVBAGLBSA-N 556.756 7.609 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)nc3c2)cc1 2053607153 RGCQUNSPFAATEB-UHFFFAOYSA-N 550.643 5.251 50 10 KKGE CC(C)(C)[S@](=O)N[C@H](c1ccc(-c2ccccc2)cc1)c1ccccc1P(c1ccccc1)c1ccccc1 2080745920 XNYUZKXTPNKJPL-BYHBGFKFSA-N 547.704 7.253 50 10 KKGE CC(F)(F)CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494669 NCJGTVGCGQCXLD-ZETCQYMHSA-N 534.258 7.452 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)c(C)cc2Br)c(Br)s1 2113182224 FEIMFWNSHJSEBY-LLVKDONJSA-N 532.921 6.786 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2137642208 HUYDIYRGZMDSHH-CQSZACIVSA-N 532.295 7.420 50 10 KKGE FC(F)(F)COC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476788 HBHMOIAFNVMDCC-ZCFIWIBFSA-N 554.220 6.595 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Cl)cccc2Br)c1Br 2201077414 IEWPNQHQGBMSFQ-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE FC1(F)CCCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406435 ZWAYDCZCAFJDDQ-QTTZVWFDSA-N 560.296 7.842 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Br)cc2Br)c(C)c1Br 2213743298 PJEUYRLGWNVWCS-SECBINFHSA-N 523.935 7.198 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(C)c1Br 2226077183 AJWRYGGLHYMHCQ-LBPRGKRZSA-N 535.896 7.276 50 10 KKGE BrCC(CBr)(Cc1cscc1Br)c1cccc(Br)c1 2227116331 WIPDZGCAXBGOEV-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2253600699 OTHBSRLLVWAXSL-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cccc(Br)c1C)C(=O)OC(C)(C)C 2256386496 BXXZFOACIDRKFE-LJQANCHMSA-N 526.253 5.725 50 10 KKGE Cn1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)n1 2272728436 XSPUZBZCNRXLJZ-MRVPVSSYSA-N 523.795 5.470 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277953635 ADLOVOSNEJAZRX-LLVKDONJSA-N 518.389 6.478 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296546189 SJTCDLHZSZFKSG-UHFFFAOYSA-N 506.052 6.643 50 10 KKGE CCCCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCCOC)cc2)cc1 2296709096 ULRMJWLYXAKPKX-UHFFFAOYSA-N 550.659 5.967 50 10 KKGE CC(=O)NC(=C(S)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297497932 JZHCGOQYPBXPIP-UHFFFAOYSA-O 500.649 6.106 50 10 KKGE F[C@H]1C[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2307189827 OHHWRCHFKJPJMZ-IKMPGZOFSA-N 558.703 6.921 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313571594 ZZWLMNDUTNMARV-UHFFFAOYSA-N 590.257 6.977 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313630709 FGOBKRWXSJYHJL-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592233 OMRRPAPAISIMOI-SANMLTNESA-N 560.517 6.946 50 10 KKGE Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C3N(c4ccccc4)CCN3c3ccccc3)O2)c(=O)nc1O 2333326752 BXGVFHNVIRIZML-ZNZIZOMTSA-N 548.760 5.288 50 10 KKGE Fc1ccc(C(CBr)(CBr)Cc2sc(Cl)cc2Br)cc1 2372267558 KLFTYRQPPOOBAV-UHFFFAOYSA-N 505.472 6.573 50 10 KKGE C[C@@H]1CC[C@@H](C(C)(C)Cc2ccc(I)c(Br)c2)[C@@H](Br)C1 2377264220 SBTGQGZVANGOKG-BNOWGMLFSA-N 514.083 6.822 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 38607849 VVHDFQDUGXIBRG-OGLMXYFKSA-N 520.633 6.170 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc(OC)c1OC 38657763 WJVXLJMQBOYGEI-HHHXNRCGSA-N 508.530 5.303 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38660189 PJKZCDIHSUXAAY-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38701101 DLFLRWYKCYKAGH-HHHXNRCGSA-N 506.558 6.360 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40912295 JDMHDBJWIZLCNP-OKCVXOCRSA-N 518.455 6.279 50 10 KKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 59304229 BMMXBHLMSOZCBV-FDAWAROLSA-N 504.417 7.088 50 10 KKGE CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OCC)c1 59485123 CVLUPRLCPPGMIC-CXUHLZMHSA-N 511.743 5.392 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 100476647 GXPCFFCTYCWJAS-WJDWOHSUSA-N 526.730 5.776 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240870 PXTWCPOENNCANB-RAMZYJDASA-N 536.484 6.298 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101337134 HSAUFVOZURJUOQ-GPTKXHSTSA-N 605.094 6.543 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(F)cc5)ccc43)c2)cc1 101381969 PULVOWCVHWVBNL-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c(OC)c1 101392183 ITMNAPACEQDGBG-JOCHJYFZSA-N 553.423 6.663 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1Cl 101727297 UPTOETQOKNKORJ-VFLNYLIXSA-N 558.512 6.947 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12 102136887 CLOQJRQNOFDJKY-MOSHPQCFSA-N 616.424 6.683 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1Cl 103878015 LHDQBMDYHUIYCX-FJEPWZHXSA-N 553.840 6.929 50 10 KKGE CC1(C)O[C@H](P(=O)(c2ccccc2)c2ccccc2)[C@@H](P(=O)(c2ccccc2)c2ccccc2)O1 108931184 LFMGKQZUBDKJTF-VSGBNLITSA-N 502.487 5.450 50 10 KKGE CSc1sc(SC)c(/C=N/NC(=O)c2ccccc2Nc2cccc(C)c2C)c1/C=N/NC(=O)c1ccccc1Nc1cccc(C)c1C 150357543 HARQDDPIQVMYSU-NJHHXWHYSA-N 706.963 9.441 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 150431069 YNZWKHFZQXDICN-JNJFLXMWSA-N 638.502 6.395 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 164016869 PGQSPKCLKKXTQF-AMVVHIIESA-N 625.604 5.223 50 10 KKGE c1ccc(P(c2ccccc2)c2ccccc2CN[C@H]2CCCC[C@H]2NCc2ccccc2P(c2ccccc2)c2ccccc2)cc1 196120849 OBHPYVNBXWUKNY-ZRKBJOGQSA-N 662.798 7.394 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214277471 MZWKSEAYUDLVFR-CEUNXORHSA-N 528.612 6.121 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C2=O)cc1 214402213 DUOJVNYQLHRSIR-VEILYXNESA-N 559.582 5.291 50 10 KKGE CCCCCCCCCCCCN(CCN(CC(=O)O)CC(=O)O)CCN1C(=O)c2cccc3c(NC(=O)OCCSSCCN(CC(=O)O)CC(=O)O)ccc(c23)C1=O 221135836 PLFGZFLFEAJHQV-UHFFFAOYSA-N 878.080 5.531 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)s1 232344304 MVJNWRXDSDLGLX-NSHDSACASA-N 506.428 6.561 50 10 KKGE COc1ccccc1/C=C/C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 245267003 LBOKLYVDFCOIKJ-TUFNYGTNSA-N 525.678 6.148 50 10 KKGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 252596768 CMKHNFZCLXQGQT-SKEJNFKQSA-N 519.561 5.253 50 10 KKGE CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12 252599231 DHCQBLBAHFYIQF-NDEPHWFRSA-N 578.532 6.076 50 10 KKGE O=C(NN=Cc1cc(OCc2ccccc2)ccc1Br)c1ccccc1OCc1ccccc1 252605317 GIFBPOSEOHNERP-UHFFFAOYSA-N 515.407 6.371 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 252610019 HYAGGROAYXSWTE-ATXVBFBOSA-N 629.544 6.980 50 10 KKGE O=C(c1ccccc1)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/c2ccccc2SSc2ccccc2/N=c2/sc(C(=O)c3ccccc3)nn2-c2ccc([N+](=O)[O-])cc2)s1 253574005 SBEILWZFACODQB-XAFSAMPKSA-N 866.988 9.724 50 10 KKGE COc1cc(-c2cc(C(=O)NN=Cc3c(F)c(F)c(F)c(F)c3F)c3ccccc3n2)cc(OC)c1OC 254348181 CTKNAEWMSPYKCN-UHFFFAOYSA-N 531.437 5.387 50 10 KKGE CCCCN(C)C[C@H](C(C)=NNC(=O)Cc1ccccc1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254628357 BYRROZISRCQPLM-OFSOJUDTSA-N 539.676 5.713 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)CNC(=O)c2cccc3ccccc23)cc1OC 254701940 ZDWDXKYOOXPMQO-UHFFFAOYSA-N 561.594 5.110 50 10 KKGE CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1 254756572 VFXYDNWAKKHXPE-UHFFFAOYSA-N 532.232 5.953 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@H](C(=O)Nc2ccc(N=[N+]=[N-])cc2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 725238511 KXQRKXGNNDSIBT-UMSFTDKQSA-N 646.236 7.248 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)o2)cc1 725429217 RFXHLNUSHKSYIC-PMERELPUSA-N 553.640 5.661 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 1084101722 FNIKZPHQIOHVMV-XMMPIXPASA-N 706.202 7.302 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084176559 QHNXXJAETLUSRM-UHFFFAOYSA-N 542.644 6.761 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084206235 POBQAXRKDPCLHV-QFIPXVFZSA-N 515.379 5.140 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)Cc2ccccc2)cc1 1084303259 RGRDRJCQIOVCKO-UHFFFAOYSA-N 592.121 5.047 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 1084316458 XUFOTWUOTLTENX-UHFFFAOYSA-N 562.645 6.954 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)Cc2ccccc2)cc1 1084318573 NXCRAWLDBNWCMF-UHFFFAOYSA-N 593.547 5.506 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=CC2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 1084320255 DMNNDDNTDPWXMM-CQTOTRCISA-N 524.661 6.640 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 1084519188 FODSILBERVHRBK-UHFFFAOYSA-N 597.568 6.093 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084566649 XGNYICVYCPTMQX-OVCLIPMQSA-N 599.081 7.782 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Cl)c1O 1084610113 LPNNXZVGNKSQAE-UHFFFAOYSA-N 538.829 6.347 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 1084621068 PFCUSDPCZMYGFY-VWLOTQADSA-N 511.018 5.680 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(OC(F)(F)F)cc2)C1 1614613984 HRGBPYRSQFQDDA-WMZOPIPTSA-N 505.274 5.372 50 10 KKGE O=C(N/N=C(/CNC(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 1615946018 FTEFWLNFYVELRF-GXBUFBABSA-N 558.866 6.213 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 1772720450 MKAOSLNMVCULHA-UHFFFAOYSA-N 642.845 6.160 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772751747 LOWOMFUVUSJIMX-UHFFFAOYSA-N 527.577 5.389 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccc(Cl)cc1 1772755779 RVHAGOYTBOTDLU-UHFFFAOYSA-N 559.888 6.517 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 1865683999 KTKBUEOBFWJYAK-MRXNPFEDSA-N 509.713 5.584 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865691042 HTCCXNUIAXQIHF-JOCHJYFZSA-N 509.404 5.018 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865693236 MMDTVDJVLLCECV-VWLOTQADSA-N 527.024 6.267 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865695633 FHOFSVYGSSFBMK-QHCPKHFHSA-N 544.549 6.275 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1O 1865695976 JIULCIGBSXODMI-NRFANRHFSA-N 519.786 5.879 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696285 YWMLMZRXGVBCJR-SANMLTNESA-N 517.416 6.344 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703854 HASWVHNDWIBJMK-PMERELPUSA-N 547.058 7.429 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865711056 OTDKKVHEHIMEIA-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990689 MEWZPIXTRBYTRJ-SQHAQQRYSA-N 517.651 5.383 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccccc2)cc1Cl 1867142133 YXILMFWSPKLDBI-YZNIXAGQSA-N 556.087 6.940 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868301674 UFQDGNFOULLULK-UHFFFAOYSA-N 512.683 5.998 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868455757 BGQJTMSENBMXIS-DEOSSOPVSA-N 518.017 6.831 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 1872756096 RGYHDQBQUUMTJL-QJOMJCCJSA-N 519.450 7.653 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1872756811 BSHRQKONLBLWNB-JZJYNLBNSA-N 509.842 7.739 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OC(=O)c1ccccc1 1872794175 NIVXXBYOLBHYGE-UDWIEESQSA-N 517.006 7.073 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1Br 1885378116 KEAMUVXOMNIXNH-UHFFFAOYSA-N 523.290 6.044 50 10 KKGE FC(F)Oc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073538 XVGYFJSLIRGFFU-QMMMGPOBSA-N 511.407 7.012 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1924594346 MELASHOWHAUVFB-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sncc2Br)cc1Br 1941499609 ZIDDEHSCTDQHIY-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE Cc1cnc2ccc3c(nc(Nc4nc5c(OCc6ccccc6)nc(=N)[nH]c5n4[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O4)n3C)c2n1 2058779888 MCJCKSMTQLIMSJ-IDZRBWSNSA-N 797.126 8.399 50 10 KKGE COc1ccc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2109591481 XQQJVXTZWZDPPZ-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE CC(C)(C)[C@H](C[C@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 2111374637 RDCIFODGNMZBHC-RITPCOANSA-N 503.472 7.633 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2141468500 KLHDTQIGVBEZGB-HZLHGAJGSA-N 580.778 7.609 50 10 KKGE Cc1nc2c(cc1Br)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2153116108 HXCCPOSEBFHTFN-UHFFFAOYSA-N 539.905 5.755 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1Br 2154476193 UODYPODNLKDMSN-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166118979 KAGXHDDHZWTVMR-DTHBNOIPSA-N 505.541 7.969 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(I)ccc2Br)cc1Br 2198736887 JMBNFERKFVLPPY-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(F)cc2I)cc1Br 2198737110 LVXLIDCCWSMIER-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2206397985 PGBYGEUUHVYPNR-LUYFLQJWSA-N 598.793 7.232 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207095518 GBOURUMEIOMMNI-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cccc(Br)c1Br 2218808830 CPXDSTVBSKXZHN-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1sc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c(C)c1Br 2218966273 WQMBNITWSJERRU-SSDOTTSWSA-N 513.929 7.743 50 10 KKGE Cn1nc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2226975425 WLZUOTNQORVPCO-ZCFIWIBFSA-N 513.242 5.785 50 10 KKGE Cc1cc(CCl)cc(Oc2c(I)cc(Cl)cc2I)c1 2228983451 USWYJEKRAGQWKS-UHFFFAOYSA-N 518.947 6.389 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)c(C)c1Cl 2232525900 FKWYGNBJCANDPE-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1OC[C@H]2CCC[C@H]21 2233195281 WXCPCNKYMXBMLH-LRFYEFHQSA-N 552.326 6.832 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1 2240999937 DTHRICKPUUCZJG-MRXNPFEDSA-N 507.991 5.781 50 10 KKGE Fc1cc([C@H](Br)c2c(F)cccc2I)c(F)cc1Br 2267741942 ULLXEDMLEUKUHJ-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE FC1(F)CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2277716755 PKGDIBPORKWHHJ-ULHQUTTKSA-N 546.269 7.452 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1cc(Br)ccc1I 2278095560 CIIHDLYYNRZEOT-CYBMUJFWSA-N 548.490 7.421 50 10 KKGE Fc1cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)cc1Br 2282898233 BTQHJYKVKUVKJV-CYBMUJFWSA-N 503.456 7.427 50 10 KKGE Cc1cccc(NC(=O)COc2ccc(C=C(C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1 2294147029 YXQUWGGOMLBKRW-UHFFFAOYSA-N 508.347 5.460 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 2296506691 ABFFFRVBNOEEKX-DEOSSOPVSA-N 532.021 5.582 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC[C@@H]1CCCO1 2296706110 YHTNTCUBDOPMCW-NDEPHWFRSA-N 522.580 5.460 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1 2297710560 SVEABEQMDRLLBE-UHFFFAOYSA-N 871.775 7.840 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 2313518822 VJMINWMDAXIXOM-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 2313630416 LJZUFARCYXRMAG-UHFFFAOYSA-N 532.463 6.694 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592744 AZAZRLJPJOVCAZ-BVZFJXPGSA-N 550.511 6.859 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593416 MRQRXSGMYYJYQC-RUZDIDTESA-N 536.484 6.353 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1Cl 2314618550 PKGXQZAPAPFGIM-UHFFFAOYSA-N 559.066 6.000 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618745 SRKONVPDPFDKGP-QHCPKHFHSA-N 528.612 6.291 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314620739 UDLLSWKGGNKACW-UHFFFAOYSA-N 622.681 6.427 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634885 ZJXALYGXYXDLFN-MUUNZHRXSA-N 500.982 6.356 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(OCc4ccccc4Cl)cc3)nc(O)c2c1-c1ccccc1 2320486401 IFAQDNRVXGRXOG-UHFFFAOYSA-N 575.115 6.847 50 10 KKGE C[C@@H](CCCCCI)NCc1ccc(I)c(Br)c1 2325232127 ZAUXWCHJRDKFQC-NSHDSACASA-N 536.033 5.527 50 10 KKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccccc4Sc4ccccc4)cc3)sc2c1 2325339413 BDERBEGLLBAXJA-UHFFFAOYSA-N 518.667 7.881 50 10 KKGE BrC[C@H](OCc1c(Br)cccc1Br)c1cccc(Br)c1 2366144948 LMUZRWOGUDZSTM-HNNXBMFYSA-N 527.876 6.627 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)ccc2I)c1 2366891801 YWPWUBRQBXGUBL-CQSZACIVSA-N 548.871 7.429 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 35518868 HCJNMDGALLGRKF-HMMYKYKNSA-N 505.603 5.906 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(Cl)cc1 38651303 YGLPQYKHJRHWKH-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655352 RNTGRMRDHYDQAX-QHCPKHFHSA-N 512.305 5.104 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 38683921 KAOGXLLWODLXRV-SSEXGKCCSA-N 528.605 5.694 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)C)cc3)ccc21 38686193 ICWKKNGZUNFROP-WJOKGBTCSA-N 526.633 6.582 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1 38686393 MLTFBHUFXQKWJQ-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1OC 38688645 NYKSDERNNBTPSF-DEOSSOPVSA-N 500.482 5.335 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 40514535 GZWXJVSWQDNIHN-MTDXEUNCSA-N 518.617 5.947 50 10 KKGE CCCCCOc1ccccc1C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59146414 ZZYQSWVRDOTXJJ-VBMGMRCRSA-N 517.629 6.526 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 100055263 ACXXPGFEHMIGJO-UHFFFAOYSA-N 601.089 5.041 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100055291 LQADSGHGIXRIOX-UHFFFAOYSA-N 569.077 5.212 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1Br 100164059 GVNPOECTLIXKEO-UHFFFAOYSA-N 556.482 5.156 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1 100238445 IQHMHQRBVDLOIZ-APTYXWLQSA-N 620.459 5.771 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100335434 NVUSPHSCFRHXOY-DJKKODMXSA-N 607.275 7.348 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240975 CQLPNSHKPDREMC-SJCFVWOQSA-N 516.066 6.206 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246283 LHHYRXBVEGJTPF-UZEPBSNMSA-N 551.590 6.478 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101333203 NEYUBGDUUWSEAQ-HZHRSRAPSA-N 515.013 5.984 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1Cl 101336004 NVNXWYNNNYDTBE-KOEQRZSOSA-N 559.066 6.000 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Br 101336926 QTWDRAVVWKXOGC-IGPUNGKJSA-N 573.447 5.082 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101337779 UTGIICBDXOVCCF-GTNUZBGFSA-N 570.693 7.236 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 101339911 WIMMAPQRUYSRFS-JVWAILMASA-N 562.601 5.878 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101340686 HDTXUVRXCFPALJ-MFKUBSTISA-N 583.873 6.748 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 101372255 LJBLOSGPUCAGRN-JGCGQSQUSA-N 548.639 7.245 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383602 HJGIMWMJVQEJBZ-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384603 BAUVVELZLNCNKF-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389307 MCCZQOGMMSYJNM-SSEXGKCCSA-N 615.455 7.003 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCCC(C)C 101393377 WEYYTDKVCHJLRI-GDLZYMKVSA-N 617.496 7.375 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 101674099 JPPSXUBDOXOYNA-RELWKKBWSA-N 534.638 5.396 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 101680644 HIXFVXDFSGLTFC-LPYMAVHISA-N 549.421 5.282 50 10 KKGE CCN(CC)C(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 101727109 SDZHLGHIFSWMAK-UVHMKAGCSA-N 591.553 5.071 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 103796149 XAUAUNLFWFZDHY-ALQBTCKLSA-N 541.482 7.931 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc2ccccc12 103876803 ZUSTVEAHTIUIOJ-RQXXSLPSSA-N 565.673 7.957 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Br)c1O 103880798 RRVWHOCGOIYHOY-WKULSOCRSA-N 583.280 6.456 50 10 KKGE COc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 105475501 IGBXOTSNWQPOMW-KCSSXMTESA-N 563.879 6.972 50 10 KKGE C=CCOc1cc(Br)c(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 112171113 UNGCLMUKZXBOFL-STBIYBPSSA-N 539.426 5.764 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 150406076 WGEPXWCVDFGWRJ-XAZZYMPDSA-N 663.135 7.178 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150484708 ILJIIANFWNQUNZ-HHHXNRCGSA-N 658.003 9.267 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150486114 OJRAXRUQMHFDRV-VWLOTQADSA-N 724.783 8.883 50 10 KKGE COc1cc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C(=O)O)cc1 163260988 DAWWCCMRHNXOCT-ILPJYELKSA-N 646.356 6.161 50 10 KKGE C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 170151589 USBJDBWAPKNPCK-WAPCQROESA-N 615.270 7.570 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 205669997 ONDHWNSJUNMDQR-JTICYREUSA-N 588.660 6.818 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 205780666 DRYPAQAXFDPCLX-LYAXJZIPSA-N 666.731 5.392 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397833 RELRIFHSCGUXID-SLGMYGOPSA-N 535.600 5.610 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 214279584 NRXDZDDFCTWBHR-CEUNXORHSA-N 528.612 6.121 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214387687 ZXCBSRXZCOFIIE-MNBJERMJSA-N 638.655 6.779 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214425571 CWEOKRDAHQUUJT-VEILYXNESA-N 530.584 5.238 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(Br)sc2Br)c1 232482665 LGYVLPMVTHLPRJ-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)c(I)c1 236244917 JILHHCXKDNVBGR-JTQLQIEISA-N 554.842 6.501 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1 254349995 ITHLVFMTPZSDEH-UHFFFAOYSA-N 509.647 5.402 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc1 254591996 DHHMMUWWDWTMHU-UHFFFAOYSA-N 533.657 6.064 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1OCc1ccccc1 254710323 CFSSVDSNMGJIMJ-UHFFFAOYSA-N 563.683 6.073 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(Br)c(O)nc2=O)C[C@H]1O[Si](C)(C)C(C)(C)C 256836023 XZYGEGFEDTXIDM-IKGGRYGDSA-N 535.628 5.411 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306146055 ACJHNDYFTFXEOF-MPOKWSJOSA-N 984.181 5.736 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2F)C1 382698129 MADSXRAYBUPXEZ-PBHICJAKSA-N 518.164 5.375 50 10 KKGE CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 504208025 IEJKMUZABMNWPG-SZRMPHPFSA-N 528.059 9.048 50 10 KKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)s1 721607608 CCMKWWORNMJMRR-LBPRGKRZSA-N 536.454 6.352 50 10 KKGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCBr 721614340 AQGZNCRPEUAEMA-IINYFYTJSA-N 515.027 5.079 50 10 KKGE COc1ccc(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721616472 UOXYCQYATMIUBI-CQSZACIVSA-N 516.398 6.153 50 10 KKGE COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237406 GCKXPIUQGXDWKY-WMZHIEFXSA-N 522.976 5.892 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccc(C)cc1 1083911135 KQHOJDVARDHSRR-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1ccccc1 1084041568 XYVRCWICDWOYOI-UHFFFAOYSA-N 548.064 5.573 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 1084044963 NXTUUTPFWPDMPB-NDEPHWFRSA-N 516.638 5.674 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1 1084147658 WNEPIKBRFYCUDL-UHFFFAOYSA-N 562.645 6.954 50 10 KKGE COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)NN=Cc1ccc(Cl)cc1Cl)c1ccccc1 1084230531 MYZBSHSQRSSWOL-UHFFFAOYSA-N 571.280 5.110 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084319599 MRGRLWYATKKPGL-UHFFFAOYSA-N 526.534 5.459 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4cc5ccccc5cc4O)cc3[C@@H]3C=CC[C@@H]32)cc1 1084335878 SBEBSFWIVFJCSK-WQQNLHNWSA-N 531.612 6.313 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084463563 HVTKCLPLMGKYHK-UHFFFAOYSA-N 602.235 6.038 50 10 KKGE Cc1cccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)c1 1565517708 WXMWVKKTGNPZRL-UHFFFAOYSA-N 503.396 6.019 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OC 1772756016 XPGUMTQDWHVHLX-UHFFFAOYSA-N 556.295 5.836 50 10 KKGE CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)O)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(COOC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 1775963190 KTWZWATZPFQZHV-YZZUBXKCSA-N 766.936 5.070 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865687049 IFVKEHSMZFKEKF-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCc2ccccc2)c(OC)c1 1865687938 DMQKSUYXJILZHG-MUUNZHRXSA-N 536.632 5.817 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865691313 PFRNYRGTBTUICN-SSEXGKCCSA-N 542.639 7.098 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865693785 YWDVXHKKPZNKPF-QHCPKHFHSA-N 553.457 5.611 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865696542 OVYJMFIJHKWMFG-LJAQVGFWSA-N 569.105 7.438 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OC 1865697251 YKNCVMADTAQDRB-SSEXGKCCSA-N 564.686 6.793 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OC 1865697506 UXDGGXOZOAMEBY-HKBQPEDESA-N 572.665 7.107 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1C(=O)O 1865704464 WLDXSYPVTANQBK-NRFANRHFSA-N 513.351 5.218 50 10 KKGE CCC[C@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867193437 VSNNVBOBUIAXKY-FQEVSTJZSA-N 527.444 5.452 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)O[C@@H](c4ccc(F)cc4)C3)n2)cc1 1868321302 YQQXFCGMXTVOQA-RXFWQSSRSA-N 511.626 6.874 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868564473 BDUGSEJVZUOGTJ-VWLOTQADSA-N 534.689 6.664 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)nc(O)c2cc1OC 1872727693 TXSZLHOUAKPJBE-CAOOACKPSA-N 538.387 6.311 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1C 1872754563 YUIMDYZAGVFVGA-QOCHGBHMSA-N 516.579 5.821 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccccc1 1872794212 PHCAREWVXKPOKI-PCLIKHOPSA-N 508.687 8.458 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1nc(-c2ccc(F)cc2F)cs1 1872818211 SDGJSAIKJIPTST-NKFKGCMQSA-N 519.916 6.492 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)ccc1F 1873921041 QYPNNIDRZFCBJY-SNCOZNQQSA-N 509.562 5.958 50 10 KKGE CN(Cc1ccc(Cl)cc1I)C[C@H](Br)COCc1ccccc1 1901945408 BDKKRAWMPARGCF-INIZCTEOSA-N 508.625 5.357 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915131715 ZKGNBDAQLURUAF-CYBMUJFWSA-N 506.609 5.761 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915766768 HPDUTDAVTLIBHT-UHFFFAOYSA-N 501.693 5.528 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2sccc2I)c1Br 1922934208 DFJPPYRJGRWTJC-SSDOTTSWSA-N 556.908 6.732 50 10 KKGE Cl[C@H](c1cc(Br)cs1)c1c(Br)sc(Br)c1Br 1981402623 YWKZNAPPOWDPBW-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE FC1(F)C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784628 XHIXYBCWGDRREZ-NFNCENRGSA-N 562.666 6.828 50 10 KKGE COC(=O)c1ccccc1NC(=O)C(C#N)=Cc1cc(I)c(OCc2cccc(C)c2)c(I)c1 2053623162 JEBWFTYZWLRFCR-UHFFFAOYSA-N 678.264 6.116 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCCO1 2085497456 WQSSMSJVZDPAJZ-UFBFGSQYSA-N 526.288 6.586 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1ccc(I)c(Cl)c1 2117891719 AUTXZFJNTKFNSO-JTQLQIEISA-N 505.565 5.058 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)sc2Br)c1Br 2136381955 NEUJSIDISTVDOE-LBPRGKRZSA-N 596.802 7.899 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCC2)c1Br 2141476136 XATATHYCIBFHRN-DNSOKLHBSA-N 580.778 7.609 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCOCC1 2173209044 SWJMXTQBACBXQS-SSDOTTSWSA-N 521.418 6.722 50 10 KKGE C[C@H](c1nscc1Br)N(C)c1c(CBr)ccc(Br)c1Cl 2186578957 FTXRQUIJWOHYHJ-SSDOTTSWSA-N 503.485 6.414 50 10 KKGE FCC12CC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206398835 ZKDUSHYYQNYNMK-PNESKVBLSA-N 556.289 6.535 50 10 KKGE FC1(F)CCC[C@@H](c2sc(Br)c(Br)c2Br)[C@H]1Br 2216422277 VGZFJSGCEPGPCK-RNHFCUEFSA-N 517.853 6.702 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232515687 BJZVQCBZPOMTCN-JTQLQIEISA-N 528.801 7.481 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1-c1csnc1Br 2234062535 BEWPVXFXQFMDAX-UHFFFAOYSA-N 500.441 5.551 50 10 KKGE COC[C@]1(C)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2248699545 HKYCLAFIMQHCLF-BQULIXMISA-N 511.899 6.144 50 10 KKGE COc1ccc([C@H](Br)c2csc(I)c2)c(Br)c1Cl 2256325952 UPZRWKDEKLLJJY-SNVBAGLBSA-N 522.427 6.262 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)c(C)c1F 2279138631 CNUFFNYBVXLVCM-AWEZNQCLSA-N 576.867 7.056 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1C 2296506928 MBIATHQYLLVVMT-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Br)cc1 2296721794 XSBQDZJOCRQRCQ-UHFFFAOYSA-N 587.249 5.350 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2297456617 YRTYNZMGGTUENA-UHFFFAOYSA-N 524.827 6.955 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 2313521556 WSLXELDTGBUMGR-UHFFFAOYSA-N 560.775 6.895 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631215 MGNVCLAQSVDMML-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1cc(Br)ccc1OCc1ccccc1 2314503950 XWBJWZJFEKFVDU-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592427 TUBUQJPLHGPMGR-MUUNZHRXSA-N 509.675 6.800 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593147 IFCYFNCDHRPOER-NFQMXDRXSA-N 513.638 6.253 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593496 NYZPDEWRPGPITA-JOCHJYFZSA-N 500.451 5.845 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314620034 JOUVXNIXDLNCDU-UHFFFAOYSA-N 584.676 6.256 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1 2314640651 HYKXIJICROZPPY-YTTGMZPUSA-N 522.645 7.181 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 2316832225 HZOCEWNERLZSPK-QMMMGPOBSA-N 566.711 5.954 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1c(Cl)cccc1Cl 2331044460 MFXPWEHLCHJBLL-UHFFFAOYSA-N 552.414 6.701 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331342988 LFFKSWSNRDDLGB-UHFFFAOYSA-N 502.552 5.711 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1Cl 2331472488 YCULHEAFEUFZRI-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1C 2331485550 FUYHUGAETZXFJX-UHFFFAOYSA-N 520.246 6.730 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ncsc2Br)c1Br 2339639103 IUCBMBAIIOTNJU-MRVPVSSYSA-N 534.893 6.232 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Br)cc1Br 2360492378 LFQWAIIHQWRNOM-LLVKDONJSA-N 570.703 7.904 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCCCC1 2361168735 OKAMMOMEHXVBDH-IBGZPJMESA-N 506.200 7.977 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)c1Br 2362234311 GNHDJAORMPRLBB-LLVKDONJSA-N 617.703 7.746 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Br)cc2Br)c1 2366890138 YIOYMGIVESZKJJ-CQSZACIVSA-N 501.871 7.587 50 10 KKGE CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)c(OC)c3)CC(=O)N2C1 9693590 HNRGHXZRVCTKMJ-QHCPKHFHSA-N 527.646 5.892 50 10 KKGE N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)=C1/Nc2ccccc2S1 12615239 VJWFHHPIXHHYGN-JJIBRWJFSA-N 503.559 5.827 50 10 KKGE CCCOc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(C)cc2)N(c2ccc(C)c(C)c2)C1=O 35393656 UNEXMRLLOUIPOF-YFYMGYQCSA-N 525.674 6.466 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651499 YVLJRHDTHYVAMN-XMMPIXPASA-N 505.368 5.269 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 38651759 OKTBDJXQCGKFTE-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 38660098 APHHDGZKPOHQMG-LJAQVGFWSA-N 514.578 5.385 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)cc1 38679224 MUFUTZGVCFAVGL-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCCC)c1 38683024 SJOCGJBCZYCXQP-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 38686580 RLEHWDDJZGMGHI-SSEXGKCCSA-N 518.569 6.102 50 10 KKGE COc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)c1 40822347 DXBCMZLZTBENFP-QCKNELIISA-N 508.578 5.550 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59148887 ZCJOTVRYJCTBAD-GDWJVWIDSA-N 510.421 5.737 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 100234349 GSLLHBMYUKKBQO-QFMYPOKUSA-N 588.664 7.082 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1 100237737 VJYAOXIVQAUYGK-ABZYITTCSA-N 576.406 5.372 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245763 ZPHKGMGOWSXABE-IDJUBOEBSA-N 586.035 7.131 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101336524 XIRAKLCBZWTOTI-QLQYKETESA-N 627.704 7.459 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101337469 XNDADFVKPUISCB-LRGHTXIMSA-N 534.619 7.046 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101368327 SNYNIRFNJCGUCX-LJAQVGFWSA-N 559.575 5.231 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 101368775 LVRJSFGHUUOORV-RUZDIDTESA-N 533.422 6.193 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101376081 FIJQNWDKYDXGRJ-MUUNZHRXSA-N 553.442 6.621 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379808 XWMYIQWSPAKBIU-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(F)cc5)ccc43)c2)cc1 101381971 PULVOWCVHWVBNL-HKBQPEDESA-N 536.559 5.916 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387445 AAUSBOJHXKBBPD-GDLZYMKVSA-N 607.877 7.672 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCCC(C)C 101393423 CJRFNRPLOCPCMG-GDLZYMKVSA-N 617.496 7.375 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101395197 IUZWLFKNBJEXNE-AREMUKBSSA-N 561.059 7.180 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 101396321 GLIWVXZCRSBQOG-SANMLTNESA-N 545.060 7.417 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2c1 101397613 ZKHPSZYCQLVVRH-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)sc2c1 101397845 XPDBTDYPVKBQBQ-GDLZYMKVSA-N 597.067 8.019 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399934 FUNDEDIGFGKBOV-JGCGQSQUSA-N 590.607 7.295 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OCCOC)c1C 102924679 BHXZFLJTSFFNHO-GHRIWEEISA-N 565.629 5.243 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1I 102933350 HGZIQECCIYXFAF-QPEQYQDCSA-N 603.154 5.057 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 103697575 DGVGIXBAARUMGE-XLNRJJMWSA-N 547.731 7.092 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CCCc2ccccc2)cc1I 103726147 PCJPHSBXWYRFSB-OGLMXYFKSA-N 523.374 5.215 50 10 KKGE N#CC1=C(N)n2c(s/c(=C/c3c4ccccc4cc4ccccc34)c2=O)=C(C#N)[C@H]1c1c2ccccc2cc2ccccc12 103757685 FFYULGJOUHATEZ-KXBQFYOSSA-N 582.688 6.474 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 103878555 LVOWEYRKWRTPRF-WYMPLXKRSA-N 520.177 5.132 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C 118920950 QAKZCDKFOJOVRK-NSDFNNNCSA-N 568.624 8.763 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 150485998 NAOFANHVSXRXDS-NDEPHWFRSA-N 637.585 9.003 50 10 KKGE CCCCCCCCCCCCCCCCCC/N=C(\NC(=O)CCl)C(=O)NCCCCCCCCCCCCCCCCCC 196592607 NUCYADWSZTZJNO-UHFFFAOYSA-N 668.536 12.379 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2)cc1OC 207110722 ZVUBYKMQHVTYMD-JWTOCORNSA-N 504.627 6.096 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214324746 MUDQJGSGPUJNDC-ZABXAGCJSA-N 552.700 6.203 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214384438 AXSYSZBEBZHLKR-FSGOGVSDSA-N 661.740 5.235 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214407225 HNVGWOHCIGUQQW-FSGOGVSDSA-N 560.629 6.650 50 10 KKGE COC[C@H]1C[C@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CC[C@H](Br)C4=O)N(C(=O)OC(C)(C)C)C1 219578384 RNASTNSTOJLQQE-WGXRPPGPSA-N 628.516 5.136 50 10 KKGE COc1ccc(C2=C(C=NNC(=O)CSc3nc4ccccc4s3)[C@H](c3ccccc3C)c3ccccc3O2)cc1OC 252641129 ZAEOXBGQRWWDBL-JGCGQSQUSA-N 607.757 7.452 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 254394754 PHBMQTLGVAXSMZ-UHFFFAOYSA-N 517.545 5.790 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254485497 ACNJLVHNUAHNCP-UHFFFAOYSA-N 543.693 5.882 50 10 KKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1cc(-c2ccco2)nc2ccccc12 254818059 BQGFMSHNCPECFC-UHFFFAOYSA-N 543.501 6.738 50 10 KKGE COc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1Br 382694867 SYWMJBAJCBCGFJ-SJORKVTESA-N 530.200 5.245 50 10 KKGE CN(C)CCOc1ccc(/C(=C(\CCCl)c2ccc(OC(=O)C(C)(C)C)cc2)c2ccccc2)cc1 504409405 FVPGMEKMGGWRFW-ZQHSETAFSA-N 506.086 7.167 50 10 KKGE in-vitro Nc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)c([P@]3(=O)Oc4ccccc4-c4ccccc43)c2)cc1 642813716 KPBGXIFKPCXZQR-VQJSHJPSSA-N 562.518 5.578 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)cc1Br 721609432 GVJKHVKIGPKMOD-ZDUSSCGKSA-N 566.803 6.579 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc(Br)c1OCC 1082989749 OBNBGLJEQCNSMI-MHPTZDBRSA-N 596.478 5.185 50 10 KKGE COc1ccc(C=NNC(=O)c2cccnc2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1083851529 NRFYQZRSUPLINA-UHFFFAOYSA-N 533.626 6.700 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1083986083 QEXPLSVDYCABON-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)NCCc1c[nH]c2ccccc12 1084008981 DPNCIHLBSPKOQA-FYJGNVAPSA-N 518.386 5.914 50 10 KKGE COc1c(Cl)cc(Cl)cc1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084037600 RGESCQHPLKSPSB-UHFFFAOYSA-N 541.498 7.511 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1 1084038116 WDYBQEQRTTWFPV-UHFFFAOYSA-N 579.122 5.800 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084244781 RQIDWKOLHVOPMP-UHFFFAOYSA-N 509.635 6.396 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)Cc2ccccc2)cc1 1084479177 HPJTUCOHBZARPF-UHFFFAOYSA-N 583.541 6.051 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084517205 QXOUIJXDYXWZOB-UHFFFAOYSA-N 625.086 7.202 50 10 KKGE CCc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(CC)cc3Br)cc2)c(Br)c1 1084559968 OLVQIQVOTOGJMH-UHFFFAOYSA-N 644.364 5.395 50 10 KKGE BrC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1616047105 PRCZFTMAGUTRJT-FVXJUOQQSA-N 617.580 7.122 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748223 OWAWQBSBKGCUCV-UHFFFAOYSA-N 593.423 7.318 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749304 ZMXZCCPRFAVAPW-AWEZNQCLSA-N 506.946 5.211 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685131 GAIQLXYIVSFETP-SANMLTNESA-N 511.025 6.602 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OC)c1 1865687198 LTKPLVHNTOJYDO-AREMUKBSSA-N 508.578 5.384 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865687774 AHGGDBUWNWIGRE-PMERELPUSA-N 575.068 7.041 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687901 CTZGROZXEKBAAH-OAQYLSRUSA-N 578.294 6.276 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 1865688137 KFHLZIJSDUZCPS-NDEPHWFRSA-N 561.469 6.395 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCCc1ccccc1 1865688453 SEOQRUWHXRHVFJ-NDEPHWFRSA-N 510.569 5.227 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689888 FWCQOCGBPAQFOB-PMERELPUSA-N 558.613 6.543 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CCC)cc1OC 1865691949 FYGKTVLGRGAMJW-HXUWFJFHSA-N 503.441 5.414 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865693007 KONJLAOZSIQMDO-HHHXNRCGSA-N 520.633 6.231 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865693890 RNAFHGCDVNGPJD-PMERELPUSA-N 548.687 7.011 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865693998 NXHRUQROPCAQQM-PMERELPUSA-N 534.660 6.307 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865694031 UACGLTMLZXUDMJ-SFHVURJKSA-N 522.886 5.368 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865695371 CBNUKQSZPRCLBI-SSEXGKCCSA-N 536.676 7.164 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865696260 YRMCEFKTVZIPFD-XMMPIXPASA-N 566.967 6.659 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699384 SHLSWLDQFZMXOB-AREMUKBSSA-N 505.553 5.456 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865703226 QMUFQBCONUUFFN-RUZDIDTESA-N 541.479 6.604 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704569 YVVDUVNRVDGDCU-MHZLTWQESA-N 579.459 6.745 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707178 QAXXBKKGROKHAC-MUUNZHRXSA-N 578.113 5.401 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)OCCc2ccccc2)c1C 1866131744 LFFOAGRETMLSJA-XSFVSMFZSA-N 567.461 5.941 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866769819 WKHXDOSAENDGSH-WDYNHAJCSA-N 573.715 5.998 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866971228 KQDCSJAUNJFZSY-UIOOFZCWSA-N 521.683 6.195 50 10 KKGE COc1ccc(CCCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)cc1 1868207185 IWIXGTZYZWDPIZ-UHFFFAOYSA-N 550.732 6.148 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 1868231903 WDYVWNKFMMOHJX-PMERELPUSA-N 522.722 8.082 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415267 WDDANSGIVHMGJQ-HSZRJFAPSA-N 501.015 6.087 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)n2)cc1 1868527686 GEGHDCWMTGUUIE-UHFFFAOYSA-N 574.710 7.440 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)CC1=O 1872751609 PJGOIFNFBDOHCZ-QQKBAMFOSA-N 515.679 6.833 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1OC 1872757978 FKGADIYWNROTME-VAXCTZCKSA-N 509.834 6.811 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 1872758121 MIGWMYVKNHFERU-AEWZPABSSA-N 519.848 7.112 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1872790236 TYMVEUQXINIQHG-LICLKQGHSA-N 503.849 7.478 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)N(CC)CC)c(OCC)c3)n2)cc1 1872790600 SPFMIUZGAULLPK-PXLXIMEGSA-N 505.640 5.919 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccccc1C 1872794073 JBKBTXLYRTYUJU-WGOQTCKBSA-N 522.714 8.766 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1C 1872795092 MUQPVZHFKLZVST-KOEQRZSOSA-N 502.639 8.232 50 10 KKGE CCCOc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923072880 SMRVYOHHNBXKAQ-NSHDSACASA-N 503.481 7.200 50 10 KKGE COc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924585066 GWEVUBFKQSINJW-SECBINFHSA-N 519.878 6.529 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)c(Br)s1 2003649647 MGDSNGQBHRCNKZ-JTQLQIEISA-N 510.391 6.345 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1F)Cc1ccccc1 2009622741 VEJKARUJNORLCQ-UHFFFAOYSA-N 505.453 5.044 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2037828361 DGDYJRDKFZTURB-OZGBLSFKSA-N 942.140 9.465 50 10 KKGE CCOc1c(Br)cc(Br)cc1C=C(C#N)C(=O)Nc1ccccc1I 2053623308 QTDBKYBPLLXPTQ-UHFFFAOYSA-N 576.026 5.761 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2060316995 YQFZNYCPHIXROS-QSRIZTMZSA-N 919.761 9.476 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)ccc2Br)c1Br 2072298254 JTNHBZJARJBVCW-NSHDSACASA-N 501.842 5.500 50 10 KKGE C[C@@H]1CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2085494906 GIKMYLLPPNIUTD-XYZUUMPBSA-N 526.288 6.584 50 10 KKGE CCc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)s1 2086140085 XRTVLERRVHRBNY-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE BrCC(CBr)(Cc1cnsc1Br)c1cccc(Br)c1 2119234684 SIZGNWUJBIQVAI-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CCC[C@@H]21 2141468825 NZJCKOVHYIHMKR-SREUIJSDSA-N 536.327 7.453 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1I 2142285813 VCDICLYPQKAKAJ-CLAHSXSESA-N 559.865 6.451 50 10 KKGE C[C@@H]1Cc2cc([C@H](Cl)c3cc(Br)sc3Br)cc(Br)c2O1 2146615276 DZDZMDSRRYUKCN-INWYIAFRSA-N 501.465 6.687 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(I)cc3c2OCC3)c1C 2157250514 FIUJRQLSPVZLAK-ZDUSSCGKSA-N 528.047 6.151 50 10 KKGE Clc1sc([C@@H](Br)c2cc3c(cc2Br)OCCO3)cc1Br 2172568489 CVHMBMDKJGMJPX-LBPRGKRZSA-N 503.437 6.182 50 10 KKGE COc1cc(F)c([C@@H](Cl)c2cc(Br)ccc2I)cc1Br 2202901960 KBEBSNBWLMHCIG-CQSZACIVSA-N 534.388 6.292 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(Cl)c1Cl 2203432581 IQHIODHRBIAPKK-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCC2(CC2)C1 2206394598 ICSKUMUMZVVSDJ-XLKFXECMSA-N 550.354 7.987 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2Br)c1C 2218793113 ZHIFHJMUDOIYQA-NSHDSACASA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)o2)c(C)c1Br 2220149392 MWIOSEXZSUOHAG-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2233163157 VLMIDPCTSVCHTB-NRFANRHFSA-N 510.291 7.706 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)c(C)c1Br 2264608230 WSJLBUAEMXAKJG-LLVKDONJSA-N 552.351 7.790 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccccc2)cc1 2293631430 IADPHFACCTWFTQ-UHFFFAOYSA-N 548.466 5.573 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313571047 MBKPDJSDKDJLGQ-UHFFFAOYSA-N 570.687 8.477 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519400 MRSAJDPPUGDIOC-UHFFFAOYSA-N 534.535 5.165 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592912 DKZXUIGSESDDDS-UZTOHYMASA-N 598.090 7.786 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593840 UOKUBEXIVLKJGO-SIBVEZHUSA-N 532.065 6.042 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593977 WWGDWHMRAVLOCD-XMMPIXPASA-N 538.456 5.745 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314611085 QELANEOAWGZUSZ-JOCHJYFZSA-N 560.629 6.648 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314617966 DVOOXSXYLSRARH-UHFFFAOYSA-N 552.675 6.126 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618436 NNQAJVBMRGKCLJ-UHFFFAOYSA-N 538.648 5.511 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 2314620123 JYCYXGXAMDCCEI-UHFFFAOYSA-N 504.602 6.366 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 2314643155 FLCDFPOJPBFWHE-JGCGQSQUSA-N 532.571 6.550 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 2314646762 MUJOXRGACXIILZ-LJAQVGFWSA-N 662.768 5.643 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3)n2)cc1OCCC 2331293359 ALAGEVFOEPGYTH-UHFFFAOYSA-N 513.059 7.693 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 2331305753 QVBWQQCLHDXMFC-UHFFFAOYSA-N 511.534 6.098 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C(C)C 2331355994 BGONPLWCTODEEA-HNNXBMFYSA-N 503.451 7.818 50 10 KKGE CCOc1ccc(CCC(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331364271 ZYASTZYVODNTPI-UHFFFAOYSA-N 505.423 6.958 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCC(=O)N(CC)CC 2331434193 IAZUGWKSGNBPAC-UHFFFAOYSA-N 506.584 5.428 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c1 2331470950 ZLFHPHZBAGXPTR-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE Brc1cc(CO[C@H]2CCCCCC[C@@H]2Br)ccc1I 2350068955 UDMCSEASFTVGKW-WFASDCNBSA-N 502.028 6.057 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362228099 BCHJHDDCOOPCEE-LLVKDONJSA-N 509.797 7.281 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 14832267 COKPVEDEDSOWMU-QWHCGFSZSA-N 518.235 5.263 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 33458103 FRXBKQVBMGNBQY-MOSHPQCFSA-N 514.478 7.545 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 38679211 HXPPVXIOHWDUKF-MHZLTWQESA-N 520.969 5.340 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 38683761 VAMRLVPGIUKZLG-LJAQVGFWSA-N 526.633 6.609 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 38686567 XRFYLJDIYJEQKG-HKBQPEDESA-N 518.569 5.777 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 38688753 OVASWLTZBZJANX-SANMLTNESA-N 510.546 5.813 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCC(C)C 38700963 UNZSXZRJLAOHCO-MUUNZHRXSA-N 524.573 6.222 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 58889990 HYKGRXKFEPSHTD-HSMHNTNPSA-N 515.379 5.140 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1 59304667 LILRTRIJZMRXQM-PPOKSSTKSA-N 515.613 6.804 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100062920 YTFMBTZZVUCARR-UHFFFAOYSA-N 617.338 5.910 50 10 KKGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(OCc2ccccc2)cc1 100206267 ZEFBXANHXKIVKV-UHFFFAOYSA-N 545.433 5.724 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 100235953 UGWBRIDNPYFPJN-KVSGHJDXSA-N 595.921 7.197 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 100553339 QMQCZTCKMNJOIH-OCSSWDANSA-N 573.403 5.953 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N\NC(=O)COc3ccc4cc(Br)ccc4c3)cc2OC)cc1OC 100869788 YUHLPEUHXFEAAM-ACXHZZMFSA-N 593.430 5.376 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2s1 101012147 OEYOMZWYKYRIRO-ULJHMMPZSA-N 545.067 8.446 50 10 KKGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1OC 101034389 UAOCDYNIPHQYRY-CAOOACKPSA-N 522.966 5.585 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245170 FCQSLIYOHVNCEU-WCKLRORHSA-N 525.674 6.582 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101332503 DUNQYSSTMINXMM-MTDXEUNCSA-N 528.612 6.039 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 101340240 IJKIASKLEWYNDI-MTDXEUNCSA-N 593.083 6.435 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101341049 WDJIQGQFPZVKIJ-NDZAJKAJSA-N 572.621 5.274 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1 101367398 LXLGBPJSZKYVPO-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OCC 101374487 GERWRQIOOIVENN-HKBQPEDESA-N 542.632 6.165 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386573 YSEFTWKWUIDBAO-GDLZYMKVSA-N 540.522 5.990 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387449 AAUSBOJHXKBBPD-LJAQVGFWSA-N 607.877 7.672 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388330 UUKVMDYYQYANOZ-XSJBNIOMSA-N 625.121 7.471 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389127 GNFAJSANYXNART-PGUFJCEWSA-N 608.666 7.129 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 101767320 AZOAUXJZJMSGDT-JNIZBEHLSA-N 559.460 6.621 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC)c(OC)c2)c(Br)c1 101767595 PWZCZQYIIKSOAW-WYMPLXKRSA-N 528.241 5.101 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 101768458 MBDWTTKQCGTUHT-ZXAKHJNPSA-N 539.470 6.252 50 10 KKGE CCCCCCCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C 102989909 XQSDFZNJTZAHIZ-PGMHBOJBSA-N 503.428 6.082 50 10 KKGE CCN1CCN(c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 103110192 HTQSDOGRASMXFN-LITSAYRRSA-N 567.155 5.103 50 10 KKGE COc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)ccc2ccccc12 103727101 NIRQCNLSBVIQBL-OKCVXOCRSA-N 561.379 5.668 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 104767794 DSNPWUPKANZSFL-FEZSWGLMSA-N 540.737 5.921 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 105020808 ADSIVQFGAZMICX-RPPGKUMJSA-N 529.847 5.800 50 10 KKGE N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(F)c2)c(Cl)c1 105891543 JEQVXCVNVUEHFD-DNRQYRRUSA-N 524.861 5.988 50 10 KKGE c1ccc(C(c2ccccc2)(c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 146244274 VDLRFBDXVYQYPY-UHFFFAOYSA-N 506.629 7.705 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 150401325 XMLQAPYYJIUOSP-AREMUKBSSA-N 619.913 9.091 50 10 KKGE O=C(c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc4c(c3)C(=O)OC4=O)c1)C2=O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc4c(c3)C(=O)OC4=O)c1)C2=O 150578517 TWHOMTWAHAWKJB-UHFFFAOYSA-N 796.656 6.725 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1 163744531 KCDLHZGFYCQJSJ-XQNSMLJCSA-N 627.910 6.178 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214347009 YFPPCTYNKLMZEB-YQYKVWLJSA-N 554.650 6.248 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(Br)ccc2O)cc1 252612078 IPSNXMDEOZCJNR-IVRQIVDTSA-N 569.887 5.576 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)cc1 254655883 AZZSJVXAJYOUNX-UHFFFAOYSA-N 529.625 6.768 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 254873575 DGDJCWVVLFLUPU-UHFFFAOYSA-N 600.679 5.978 50 10 KKGE COc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1CSc1nc(C(F)F)cc(C)c1C#N 254904262 BMJSMABWGDEHPO-UHFFFAOYSA-N 557.047 7.132 50 10 KKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)c1O 254904921 IOOQAKPXCKPXAY-UHFFFAOYSA-N 555.704 5.917 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(OCc2ccccc2)cc1 263621920 SNASFIMAYIDHFL-UHFFFAOYSA-N 570.601 6.468 50 10 KKGE Cc1ccc(CCl)cc1Oc1c(I)cc(Cl)cc1I 311458157 FDVJDDHEJLDGDY-UHFFFAOYSA-N 518.947 6.389 50 10 KKGE CCCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Cl 388220494 BOPNRGIQXGDMQO-JFUSQASVSA-N 526.967 5.103 50 10 KKGE O=C(c1cc(Br)ccc1I)N1CCC(CCCBr)CC1 401057440 IFBSQWYHJFFOHA-UHFFFAOYSA-N 515.027 5.081 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C 504093913 SPHUIJWPZSWHEE-XIUJCGKPSA-N 510.923 10.671 50 10 KKGE COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237597 KURQQUYBLQYHLI-QPPBQGQZSA-N 537.003 6.282 50 10 KKGE CC(=NNC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 725274154 IVSAOYOKGQGAQG-FBXLTAPESA-N 577.710 5.644 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)NCc3ccccc3)o2)cc1 725426398 ATZVVKNUXHQNEK-UHFFFAOYSA-N 613.523 5.052 50 10 KKGE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OP(c2ccccc2)c2ccccc2)[C@H]1OP(c1ccccc1)c1ccccc1 1073242231 VDNNRBDPKKKMFA-WRFODFTASA-N 650.648 6.338 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1)S(=O)(=O)c1ccccc1 1083942773 KTIGMNIHJCMRNQ-UHFFFAOYSA-N 690.063 7.978 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 1084041537 JUZUELJDKISLHT-JOCHJYFZSA-N 670.285 5.447 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084044242 HNPHXCPHEOQOSG-YBFXNURJSA-N 678.151 8.638 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084175210 RMCSFFDMBNBZDE-UHFFFAOYSA-N 579.078 5.030 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084200711 SAZJSTNPDRPJCD-SXGWCWSVSA-N 520.185 7.020 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084210058 YKAMYGURGOACST-UHFFFAOYSA-N 555.199 5.950 50 10 KKGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc2c3c(cccc13)CC2 1084244164 GWGLKIMVENKBFS-UHFFFAOYSA-N 548.462 5.047 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccccc1Cl 1084275444 ZCNNUMRTBAGMJT-UHFFFAOYSA-N 541.751 6.473 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084476520 WOZRXEWGKDEQKM-XMMPIXPASA-N 590.858 5.952 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746832 ANAIBQKGKJIMGN-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748503 QWEJGUGIIOFZKW-UHFFFAOYSA-N 558.771 7.290 50 10 KKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749628 NRWOJNOZJNZOHI-UHFFFAOYSA-N 514.409 5.403 50 10 KKGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772753910 GIJJVAGQRBVLKW-UHFFFAOYSA-N 518.205 5.320 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685449 IXESIHVZPJCAHY-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687075 IZKDICFHTMXFTB-LJAQVGFWSA-N 557.610 5.749 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865687686 XYQYFWMBTRRLSM-HHHXNRCGSA-N 547.442 6.352 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865687784 AJHJQHUWZMVUOQ-KRWDZBQOSA-N 569.765 5.689 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689162 LINKCXZINDWLGC-RUZDIDTESA-N 547.442 6.683 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OCC 1865689374 QVDRRNUDIFZZSH-FQEVSTJZSA-N 518.923 5.619 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865691043 HTCCXNUIAXQIHF-QFIPXVFZSA-N 509.404 5.018 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865691859 COGOMNRTGLXWGC-MRXNPFEDSA-N 529.357 5.480 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865694108 ULFMCDFGMGIDHS-SFHVURJKSA-N 504.896 5.229 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865703441 VTGJJQUPNXFAEL-MHZLTWQESA-N 531.443 6.652 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703931 IYCWFWGNIFVCSJ-SANMLTNESA-N 531.443 6.598 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704113 NKZAOGWUXIWXOT-SANMLTNESA-N 549.433 6.737 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865704848 FZKYWPSCLNYOPT-AREMUKBSSA-N 512.997 5.948 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OCc2cccc(C)c2)cc1 1865704968 JDSZBVXJLSFLNU-PMERELPUSA-N 570.649 6.662 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706698 CUCQNYKGPSZWHC-JOCHJYFZSA-N 569.832 6.440 50 10 KKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868414729 POHQORVLZQLLBP-LJQANCHMSA-N 533.126 7.058 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)nc(O)c2cc1OC 1872727622 OTHBAKNQWFEMDB-LICLKQGHSA-N 538.387 6.311 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 1872752958 BEIFFMPPJYJJRB-DSWYMIRZSA-N 504.696 8.543 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Cl)cc2I)cc1Br 1901024287 UTIHBRLQXSSDPS-SECBINFHSA-N 512.457 6.623 50 10 KKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]21 1924571774 UGKYDSCAWIDKCT-JAGXHNFQSA-N 521.938 7.154 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2cccc(Br)c2Br)c1Cl 1925549399 UXMISTYYRVKAHV-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(I)c(Br)c1 1950214381 GMALESMSGKIDHN-NSHDSACASA-N 550.879 6.670 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)CCC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2065334103 NJPLKFXCNQVULN-PNEGKYLGSA-N 516.959 9.960 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12COC[C@@H]1C2 2085492211 IAMWEZDGJBLFME-OECDLBLWSA-N 524.272 6.053 50 10 KKGE Fc1cscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494582 MLUNKYLSXIJBCS-VIFPVBQESA-N 586.738 7.422 50 10 KKGE Cc1sccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495469 QKVJUBMQZGPDAP-GFCCVEGCSA-N 538.324 7.435 50 10 KKGE Fc1c(Cl)cccc1C[C@H](Br)c1c(Br)sc(Br)c1Cl 2113470920 ORSQUZWPHJOQTQ-LURJTMIESA-N 511.863 7.398 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468361 JIVLCYNOOJLEEP-WGZSSWNPSA-N 538.343 7.843 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2141468761 NIWXDYXGLFDDTN-FDXQJEHBSA-N 536.327 7.453 50 10 KKGE Cl[C@H](c1ccccc1OCc1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2141470236 ZNWPLSHPWPVIOM-HXUWFJFHSA-N 624.392 8.644 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2CCCC[C@H]21 2141470813 LAMOTYPDGVWGJM-GFDCEMQASA-N 536.327 7.453 50 10 KKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)c(Br)c1 2144773633 IXSOQFPEVDSAHM-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)cc1OC 2172568233 AMPMEVRQCUHAGA-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(F)cc2I)c1Br 2201081864 KUTZTFXTWMZQRW-OAHLLOKOSA-N 576.867 7.056 50 10 KKGE COC1CC(CC[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396421 WLZYZJIURJTBGZ-OIAXGBPSSA-N 554.342 7.222 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1C1CCCC1 2206398201 RZEMHACWSNKFCO-OLBFVZFUSA-N 550.354 7.843 50 10 KKGE Brc1ccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206400688 SHGZPAYLKBPDOC-SECBINFHSA-N 655.642 8.178 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206405081 FQJKKAGWQZXNON-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE Cc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1I 2224631189 WSBGIHLDSNOVFR-AWEZNQCLSA-N 512.048 6.785 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)c1 2235610279 QCGUMKDAQTZRKM-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(C)c2I)cc1I 2269551566 ADOUUGRVIMFVRE-CQSZACIVSA-N 542.980 5.697 50 10 KKGE Cc1cc(Br)c(CBr)c(N(C)Cc2ccc(I)cc2)c1 2280338631 VJHMIXBIETYZJI-UHFFFAOYSA-N 509.023 5.893 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 2294168383 IETZFQWZOSEGAB-UHFFFAOYSA-N 571.471 7.524 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2294168426 KHRVNOADCOPUQD-UHFFFAOYSA-N 510.396 5.967 50 10 KKGE CON(C)C(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C[C@H]3O 2294818767 XZQBRLRNHXZLEG-GUYKOFBGSA-N 674.055 7.997 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 2297321107 UGPAXSFKFOPCBG-UHFFFAOYSA-N 581.887 6.894 50 10 KKGE O=C(c1ccccc1)N(N=Cc1ccc([N+](=O)[O-])o1)c1nc(-c2ccccc2)c2cc(Br)ccc2n1 2297710767 UFEZNQSMBWAJQQ-UHFFFAOYSA-N 542.349 6.241 50 10 KKGE Cn1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)nc1Br 2299502308 VUNRMOMABGARSA-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 2299534367 CPZLQZYNCKZUOH-QGZVFWFLSA-N 595.976 8.099 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)O 2313571193 PIYHHKZQIDZQES-UHFFFAOYSA-N 510.171 5.493 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593477 NLNKBJGXFOIJJU-SSOJOUAXSA-N 552.483 6.306 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)C(C)=C(C#N)C1=O 2314609950 AOIJVANLDBXXMU-UHFFFAOYSA-N 557.094 7.154 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 2314611490 VJJXIMZTLSNIOG-LJQANCHMSA-N 529.040 6.372 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)c1 2314634886 ZJXALYGXYXDLFN-NDEPHWFRSA-N 500.982 6.356 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 2314795823 UXYVPXYHSJGALN-UHFFFAOYSA-N 534.653 5.159 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2316709828 PLWNXYLULZKQSQ-OAHLLOKOSA-N 593.939 6.771 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 2331259288 LKWNMBMFPZGUFR-LJQANCHMSA-N 503.580 5.150 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(OC)c1OC 2331412515 FPQKVSDBATVODB-UHFFFAOYSA-N 519.579 5.038 50 10 KKGE C[C@@H]1CCC[C@](CI)(OCc2ccc(Cl)cc2I)C1 2340118772 ANRXEGUFUIBMPB-ABAIWWIYSA-N 504.577 5.845 50 10 KKGE C[C@H](CBr)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349849049 ZLKMKHPPGNITDX-IAQYHMDHSA-N 501.044 5.439 50 10 KKGE Cc1c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)nn1C 2360427486 VTJCTDHKYZVCBM-SNVBAGLBSA-N 509.826 6.184 50 10 KKGE CC1([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)CC2(CC(F)(F)C2)C1 2361170678 FWLKQFIBLXHVLB-LJQANCHMSA-N 500.221 7.680 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Br 2369431683 UUSSTILHILTEEA-OAHLLOKOSA-N 509.160 5.568 50 10 KKGE Cc1ccc(CBr)c(OCc2cc(I)ccc2Cl)c1Br 2381133143 KPHUKSOTDZPDQD-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 935119 PZXGELVBTPGRRK-FNBPXTNNSA-N 540.389 5.792 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl 8386654 FNBBSTLFOXRDOB-KCSSXMTESA-N 582.509 6.226 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 14645706 LGTJCEYUNXAIRQ-UHFFFAOYSA-N 504.425 5.078 50 10 KKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 20616399 OUBSJZNXCKQCTJ-KFGQXUQISA-N 515.573 6.380 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 32519942 NIKWOVIXCDIGRJ-KKMKTNMSSA-N 515.422 5.700 50 10 KKGE O=C(Nc1csc2c1CCCC2)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1ccco1 33352992 IPOZDOMEIQTUBN-HKBQPEDESA-N 577.706 6.811 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38607514 PZSXFYPBKIMAQW-WPWMEQJKSA-N 516.576 5.822 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(Cl)cc1Cl 38655345 RNTGRMRDHYDQAX-HSZRJFAPSA-N 512.305 5.104 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5F)ccc43)c2)cc1 38686660 IEKWPEZRWRRISU-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 38686830 GRFBTVWSIKUGRM-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)c1 39858851 PWPHDXZKHNFPRZ-ATVHPVEESA-N 505.361 5.956 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Br)c1 58889286 APTPWABIEUTWCM-PLIDZJGOSA-N 515.835 5.954 50 10 KKGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(NC(=O)C2CCCCC2)cc1 100212130 IEZXDCRUARIGGL-UHFFFAOYSA-N 564.480 5.664 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)cc1 100238383 TVBAWSIKQZOTDK-RLKJGOPYSA-N 627.479 5.503 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccccc2c(=O)[nH]1 100920355 UYWBFKOLLVTWMK-HKOYGPOVSA-N 556.025 7.072 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241010 KMNQPRVFMRTOFZ-HFVAWESISA-N 550.511 6.859 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 101335025 FBAKKNPNFORPIJ-TWKHWXDSSA-N 542.639 6.511 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Cl 101336491 JRUBYVGBXTXXQU-JVWAILMASA-N 578.072 6.559 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 101368872 ITGJTYPWPZEKDU-QFIPXVFZSA-N 546.204 6.202 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc(OC)c1OC 101378615 RWSDWGIHYQHHQA-WJOKGBTCSA-N 578.621 6.037 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379686 STHXZQQVKRVXMA-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380264 PZLHIQXMBPABCP-LXOQFAHRSA-N 587.434 7.548 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383430 UXJQATBAVITLKF-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384670 PSPHAVRJUUFPLU-JBYXOPKCSA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384708 VEDDGXVRENKIGP-NDEPHWFRSA-N 612.296 8.317 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101388966 YSBGRDYMTGGXHQ-KHAIMMOXSA-N 618.705 7.938 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101395402 ADNPZXIVJAKQIS-WJOKGBTCSA-N 566.654 7.319 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405817 ILSLPQYXJCCJFI-VGLTWBPLSA-N 610.695 5.609 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 101727021 DCYNNIQRXIPONZ-XKJRVUDJSA-N 607.382 7.701 50 10 KKGE CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1 102808941 MHHXQPXVJNRTKO-MUUNZHRXSA-N 540.689 6.528 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 103878223 PUWMHPXHFMRNHW-KBVAKVRCSA-N 542.433 6.946 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1 103888841 ONXGHMTTXOSXMG-YVLHZVERSA-N 579.221 6.731 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccccc1I 116735324 DYCBHRJFXBDFFH-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150388149 VUOOWLUWJICYCJ-LLVKDONJSA-N 650.176 5.540 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1Cl 150463839 GMMSWCVTDPCSFP-MGBGTMOVSA-N 694.011 9.241 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 196304460 WUUPISRMPWBNRI-XMDPSZRHSA-N 744.913 6.611 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 214347861 BGNMIRIGJAQFPN-BRPDVVIDSA-N 574.656 6.692 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 214370753 OFJGDOQHNOUNMI-CEUNXORHSA-N 588.664 5.709 50 10 KKGE Fc1cc([C@H](Cl)c2cc(Br)ccc2I)c(F)cc1Br 236239489 NTYWRRGSXXJELN-ZDUSSCGKSA-N 522.352 6.423 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 252634145 WKMVNCAWJSKIAI-JPVYSWMASA-N 557.448 5.696 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1cccc2ccccc12 254309035 UEQOUIMJCCUTJZ-UHFFFAOYSA-N 552.725 6.420 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 504409783 ZKUCDSCKSARUCE-ILJZSITISA-N 826.968 15.850 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cccnc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589968 UEUDLVPTCOPGMZ-GLSHDMTASA-N 845.063 9.218 50 10 KKGE CCc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1CC 721570868 BRSFBGWBNSMYNA-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE CC(C)(C)c1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237221 BLGGVYYUNZSVMX-QFIPXVFZSA-N 508.993 7.016 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 1083932363 XXWDRDWBXIYVJY-UHFFFAOYSA-N 514.075 7.543 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 1083964233 LXZWKWMIFZTISF-WQRHYEAKSA-N 501.797 7.170 50 10 KKGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1083967897 CINHDIWRDOPKEX-KPKJPENVSA-N 578.031 6.471 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cc(C)cc(C)c3)S(=O)(=O)c3ccccc3)o2)cc1 1084117443 GGFQYJPBYQBFAL-UHFFFAOYSA-N 559.644 5.086 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1)Nc1ccccc1 1084239730 QMUBJCOZBNCESP-UHFFFAOYSA-N 530.049 6.414 50 10 KKGE COC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084282534 PSCJGQAHUOBCMD-UHFFFAOYSA-N 531.996 5.430 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084445426 YBOYDZKBKIVSHT-OVCLIPMQSA-N 693.081 7.466 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084447142 YLVJGXVPVUXXSY-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c2ccccc2cc2ccccc12 1084545877 LNORELMSNCVZJR-FQEVSTJZSA-N 555.107 6.667 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 1084567666 YUEGPBXODPTLKO-UHFFFAOYSA-N 512.056 6.170 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 1084597873 UMCQDLQTPQIGSY-UHFFFAOYSA-N 594.303 7.134 50 10 KKGE O=C(NN=Cc1c(F)cccc1Cl)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084640504 QSGDUVBYLXJURZ-UHFFFAOYSA-N 522.001 5.639 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(OCCCCC)c(OC)c3)c(C)nc2C)cc1OC 1772721628 MDWGOOZTJCZBAE-UHFFFAOYSA-N 631.774 6.381 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772744134 QQRVOIWJBJZPJX-UHFFFAOYSA-N 512.997 6.195 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744407 WYWVERLDETYGBN-UHFFFAOYSA-N 570.487 6.664 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)c2ccccc2C1=O 1772790083 ZVIFRVFTVMMOJN-MHZLTWQESA-N 586.717 5.670 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680163 AGDBQBPFUZLSPE-HSZRJFAPSA-N 535.387 5.543 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687178 LICGVLNXNHBJGW-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687179 LICGVLNXNHBJGW-SANMLTNESA-N 512.997 5.894 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865687792 ANFFSASBUXNBFR-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865690464 RYCSFFRLZHGFAP-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865690803 BKHLUXQAAKZOKR-OAQYLSRUSA-N 550.940 6.148 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865691109 JJNRHAWIQBOVQE-VWLOTQADSA-N 510.981 5.984 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865692125 BDLPRVYIVHVBEL-LJAQVGFWSA-N 558.638 6.717 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693585 KVHVXZSUIJXABG-DEOSSOPVSA-N 517.416 6.853 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697195 PEMBOQKBRJEJSI-SANMLTNESA-N 543.023 6.215 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701036 KFJJBLJZISFHMC-IBGZPJMESA-N 578.692 5.986 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701451 VYCRDXGQTYVKPK-SFHVURJKSA-N 564.665 5.596 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865703483 WOGPHXLOCYJLND-SSEXGKCCSA-N 524.624 6.704 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865704897 HGOWOFUMFNWVCB-QHCPKHFHSA-N 530.506 5.696 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866701488 NMQCLLXCKRMUGB-NSOVKSMOSA-N 522.630 5.053 50 10 KKGE CSCC[C@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867088543 VDOGXLGBDJBTRX-MHZLTWQESA-N 556.713 5.523 50 10 KKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cccc(Br)c2)cs1 1872746960 HNLCKGOCCIDUHZ-FXBPSFAMSA-N 513.373 5.267 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(Br)c1 1872752339 XWSAEFXHKGQBCS-FLFQWRMESA-N 511.485 7.910 50 10 KKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753991 XMWQNQUNQKFEEH-YCNYHXFESA-N 516.622 8.217 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 1872790678 YESKIGHEKWDWHG-WSDLNYQXSA-N 521.469 8.467 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 1873499287 OBWNVYRLKZJGDJ-ZTAUZCEESA-N 502.011 5.025 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)cc1Br 1915173360 XNRLZNOGTBEMPO-SFHVURJKSA-N 566.153 5.884 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2sc(Br)cc2Br)c1 1922879826 DNKKDZRMQUDYGV-JTQLQIEISA-N 513.398 7.383 50 10 KKGE FC(F)(F)CC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 1924570485 KEBLYAPPYQWUQQ-ZETCQYMHSA-N 505.419 7.438 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cccc2Br)sc1Br 1945321239 FRRMONGIERHFRH-NSHDSACASA-N 503.879 6.828 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csc(Br)c2)c1Br 2081069692 COOKXGAHATTZQO-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Fc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(I)c1 2083330087 KPZWREHAJGQPLW-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE Brc1cc([C@H](Br)c2cc3sccc3s2)ccc1I 2084764774 MYMKBBLGPMBURQ-ZDUSSCGKSA-N 514.045 6.814 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2085493422 BSAXRZJTHKXPMD-GFCCVEGCSA-N 566.707 7.122 50 10 KKGE BrCc1ccc(OCc2cccc(Br)c2Br)c(Br)c1 2092329951 CNHJMVUYUQSHLT-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCCC1 2206396710 AEGIMFIGLRHNNI-CQSZACIVSA-N 552.370 8.377 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC[C@H]2CCCCO2)c1Br 2206398797 ZCHYLJZHXFAJDK-RKDXNWHRSA-N 598.793 7.522 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2224055980 SVKCBXHNZWBANG-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 2225617356 TXBTZTQVMLURIX-GFCCVEGCSA-N 536.258 7.251 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277958936 MNMIZKOADGLCRU-CYBMUJFWSA-N 515.840 6.792 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1scc(Br)c1Cl 2295364767 IVIBUDZTTGZJHI-SNVBAGLBSA-N 523.899 7.381 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=CC=Cc1ccccc1[N+](=O)[O-] 2296809656 WBZHUJWKKAWOHT-UHFFFAOYSA-N 545.646 5.142 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 2297369324 NMAFXJDMLBFLKS-UHFFFAOYSA-N 535.581 6.007 50 10 KKGE CCOc1ccccc1NC(SCc1ccccc1Cl)=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2297414528 CJARVHCNPSNRBJ-UHFFFAOYSA-N 552.096 6.195 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2O)cc1 2297708525 QSCZBSSRDZKQBD-UHFFFAOYSA-N 571.081 5.307 50 10 KKGE Clc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)s1 2299495153 JYTMWMXQKZRKLM-QGZVFWFLSA-N 507.074 7.881 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)sc1Cl 2299503578 GXSAOWZXILDSQD-KRWDZBQOSA-N 507.074 7.881 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)sc1Br 2301043608 GBRDMWJLGIGPEA-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE ClC[C@H](OCc1ccc(I)c(Br)c1)[C@@H](Br)CCl 2306295806 CRRLVXJQFUYYEH-ONGXEEELSA-N 516.826 5.180 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1Cl 2313521436 NXQIEBXLAFGLNL-UHFFFAOYSA-N 572.830 6.146 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593692 RDFAYXKRBAQOEP-NDEPHWFRSA-N 509.675 6.170 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 2314634131 QEMNJTSBHPCTOX-RUZDIDTESA-N 503.352 5.295 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281249 ZAMXEAJXZDPQSK-NSHDSACASA-N 506.765 6.394 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331359076 YMVBRPZZJONBBO-HSZRJFAPSA-N 521.642 7.319 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 2331376589 VZOGOJIBYBJFKT-UYAOXDASSA-N 503.624 6.010 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c2ccccc2)cc1 2331400714 MAXCKFBWUQZFLE-UHFFFAOYSA-N 505.064 8.346 50 10 KKGE Clc1ccc(COc2ccc(CBr)cc2Br)c(I)c1 2340110423 PLUFJAGOOKNJAI-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CC(C)(C)N1C[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)C1 2349850819 GZHQNISUCIZLQL-WCQYABFASA-N 501.044 5.090 50 10 KKGE Brc1cc(CO[C@@H]2CCCCCC[C@@H]2I)ccc1I 2350067548 DVBUJATUWOXBOA-LSDHHAIUSA-N 549.028 6.097 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361200882 NPZCHEGHCOJBGF-ORYQWCPZSA-N 514.279 5.679 50 10 KKGE Brc1ccc(I)cc1CO[C@H](CI)c1ccccc1Br 2367601681 LUKWFUUJBKEDSA-OAHLLOKOSA-N 621.876 6.509 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(I)c(Br)c1 2377286637 LNKIDFCJTOMIMU-UHFFFAOYSA-N 578.839 6.429 50 10 KKGE CC[C@@](CBr)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377328461 CNLKXZROOMXETR-KRWDZBQOSA-N 508.035 6.339 50 10 KKGE CCN(CC)c1ccc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)c(OCc2ccc(Cl)cc2Cl)c1 6078440 BEYJKZLDNPTNDN-ODLFYWEKSA-N 525.440 5.125 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1 33380624 IMXUBXAGMOXSAO-QOMWVZHYSA-N 502.618 6.474 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccccc3F)ccc21 38682915 GIHDKBCTJNGXDK-MYUZEXMDSA-N 502.542 5.596 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 38686839 GFJIMQYCZCEQDE-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc1CSc1nc2ccccc2o1 100185238 CTYLIJANSDEJQP-KYHGBAKBSA-N 554.603 6.284 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 100237873 CNQLOVOOYIEXGJ-KHCQRQCYSA-N 608.476 6.386 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100336561 MYGOITHPPFVZGH-OCKHKDLRSA-N 593.248 6.409 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 100452563 VDHFNVXYLLKRNW-MGCJZSHXSA-N 580.704 6.408 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242236 LCZUOYFACYBTNN-FYAMCCBRSA-N 550.478 5.908 50 10 KKGE CCOc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337968 LGSGSCUFFOOHLQ-LEEXQRRLSA-N 561.465 7.325 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101339414 JJIZHHOMJIQLPP-JVWAILMASA-N 519.004 6.294 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1 101367589 OTNWXUFBOVOLQF-GDLZYMKVSA-N 583.984 6.273 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101368880 PDVHOIAZMGHHNX-DEOSSOPVSA-N 521.367 5.294 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379885 JYNQRCFTJBYAAZ-YTTGMZPUSA-N 559.021 7.510 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389381 KGOVJHHPUYKLPT-DOJVYNIVSA-N 597.042 7.294 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101396962 PMSNZVQWTZXUAC-MUUNZHRXSA-N 581.496 7.789 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 101702179 AMUJPOFFFHCAKP-MORQCWLFSA-N 594.664 6.764 50 10 KKGE CCCOc1ccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 102832678 HBKUMVUCJJDYNT-IVQJCJPDSA-N 555.700 6.021 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 103451249 KTVVLIVRCXNIHT-WPWMEQJKSA-N 545.620 7.940 50 10 KKGE O=C(N/N=C/c1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103723595 OPPCARPKCXPJJA-LTYZHWICSA-N 516.257 6.029 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1 103796495 HJMJYXTZVIHFNR-FJEPWZHXSA-N 582.292 7.338 50 10 KKGE O=C(OC[C@H]1O[C@H](Cl)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 106385875 XVLSIQHWHHLLPV-LUKWVAJMSA-N 584.235 6.219 50 10 KKGE Cc1ccc(C(=O)N/C(=C/Nc2ccccc2N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 108763391 LATXDASZQHXNFK-IVQJCJPDSA-O 528.616 6.212 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 111394389 JURXPCSUZDDGRL-KTKRTIGZSA-N 612.723 9.417 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@@H]1Oc1c(Br)cc(Br)cc1Br 117316372 BASYOZBODPOKTC-RYUDHWBXSA-N 519.897 6.695 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 150497920 GBTKZFTTWLOOKN-UZWMFBFFSA-N 634.664 5.429 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 164640025 ZHGVZZXYXBXWQQ-HASSKWOGSA-N 715.389 8.034 50 10 KKGE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)(C)O[Si](C)(C)C(C)(C)C 198071073 NHCAHEFPDDXPRN-BYRMMUAWSA-N 526.922 9.785 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 205781634 DJXNJRWTMFXBPZ-KPPCDNTDSA-N 680.758 5.783 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 214296506 BRLVADWTBJQYJN-IMRQLAEWSA-N 524.621 5.265 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 214409385 PQKDPPNBKZEEQZ-FSGOGVSDSA-N 560.629 6.650 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 229808372 HLAMYPODVHXWJG-DBADBBAGSA-N 515.532 5.333 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232342439 SCCBOVZSPHJZPD-CQSZACIVSA-N 516.398 6.200 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1Br 233790342 CUPSHMGAKHEWDC-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE CCOc1ccc([C@@H](Br)c2cccc(C)c2I)c(Br)c1 233820098 KENOVHKZHRGHOY-OAHLLOKOSA-N 510.007 6.245 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 252643800 ZWYVWLVGUAHFEG-KWMIQRHLSA-N 503.046 5.625 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sccc2I)cc1Br 310364270 UXZXUYXKRSQEAS-NSHDSACASA-N 550.879 6.670 50 10 KKGE Clc1ccc(I)c(C[C@@H](CBr)c2ccc(Br)cc2)c1 405524144 KHJVZHPZGCXNMO-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 504523214 FTCJOOMHYRJOAM-ALMGMPQLSA-N 590.792 6.407 50 10 KKGE C/C(=N/NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC(C)(C)C)C(=O)NCc1ccc(C)cc1 575408845 ACJLTYPKDUOQRH-BKXQNJSFSA-N 584.717 5.214 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616592264 JPPPCUSSHOVQRY-RUZDIDTESA-N 510.795 6.922 50 10 KKGE Cl[C@@H](c1cc(Br)c2c(c1)CCCO2)c1scc(Br)c1Br 705476956 QJAIKDLQQOLVPB-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725415626 ONFLPUARTGCTGN-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 725445268 OLBJGMFCQBPTPW-UHFFFAOYSA-N 585.469 5.066 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1 1083857854 IBTXOOISGZEHSP-XQNSMLJCSA-N 580.910 6.336 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1083917534 HWXZSLZSDPVNKQ-DEOSSOPVSA-N 580.306 6.698 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C 1084010360 JYDQFDRWOHPCTM-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 1084131849 OEEDFWIHGLTHFM-SXGWCWSVSA-N 502.741 6.680 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1c(OCc2ccccc2)ccc2ccccc12)c1cccc(Br)c1 1084191308 UAGPINBAZCXRJY-UHFFFAOYSA-N 578.466 7.198 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1Cl 1084277062 CZAOQDUZFLIAAX-UHFFFAOYSA-N 639.671 6.805 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 1084371130 AFUUDQSNKYMRIU-VWLOTQADSA-N 662.322 5.867 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084600606 FTLKUTILKQKTBC-RUZDIDTESA-N 728.365 6.236 50 10 KKGE COc1cc(C(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)ccc1I 1084628904 LCLMFJBAXIASRH-UHFFFAOYSA-N 666.585 6.972 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Cl)CCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537978 FRORSYDIKBYDEQ-PCIDPTNPSA-N 505.227 9.635 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748499 QVLHOHHALGEQTE-UHFFFAOYSA-N 535.771 6.179 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686575 XGNLMCPTGSOCQY-HSZRJFAPSA-N 517.416 6.440 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C)cc2)C(C#N)=C(N)O3)cc1 1865686760 ZVKLSVMTQZMFOK-HSZRJFAPSA-N 503.389 6.381 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865688560 VDJCFJDBRLMWMU-FQEVSTJZSA-N 531.321 6.578 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688906 DTSJQMACSYCMJD-HHHXNRCGSA-N 557.050 6.276 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688916 FJISRWQXZYTHCN-HHHXNRCGSA-N 579.459 6.745 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865690799 BHGLZQXFMZJCHZ-VWLOTQADSA-N 510.981 5.984 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865697552 WIFSCNMKVQUYJX-FQEVSTJZSA-N 529.822 5.476 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698178 MLEYVWYSXWLDEE-JOCHJYFZSA-N 523.431 5.270 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c2ccccc21 1865699108 KQDNONRKHFYURW-DEOSSOPVSA-N 522.406 6.012 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700897 HFNNXIAYOKLGIP-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701184 OPPMTEPUFPFNPV-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1865701601 ZEXPFNUYWTUKMI-MHZLTWQESA-N 512.997 5.948 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703993 KHNYNQMESGDFAO-NDEPHWFRSA-N 562.029 6.393 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704245 RCJLAMZWYQWIDZ-SANMLTNESA-N 562.457 6.332 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708502 YHAYXXKBAQUZSJ-XMMPIXPASA-N 549.414 6.090 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713131 RKQPUAKUUNGMBX-OAQYLSRUSA-N 504.333 5.972 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C)c1-c1ccc(Br)cc1 1866129520 XOGGQVULTDPPHL-LFIBNONCSA-N 560.267 6.581 50 10 KKGE N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866130887 REUKMALUSGGDJL-MKWGYRPRSA-N 561.432 5.108 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc(C(=O)OC2CCCCC2)c1C 1866131899 SKQNRRROVOXJCY-SFQUDFHCSA-N 545.455 6.031 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866740698 NDELHPRCDPIZNB-FQLXRVMXSA-N 531.697 7.018 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866774976 DZWUZMVXFQALIB-FQLXRVMXSA-N 541.623 6.426 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867123061 RFBWGAQWRGVVAW-WNJJXGMVSA-N 541.623 6.426 50 10 KKGE CC(C)C[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199144 WZVVIYMGISPCKL-CLJLJLNGSA-N 568.512 6.657 50 10 KKGE CC[C@](C)(NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867214752 VJQAAKGOQOJTGT-QPPBQGQZSA-N 502.478 6.076 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Oc4cccc(Cl)c4)CC3)n2)c1 1868505559 IFKJGWMSCPNXON-UHFFFAOYSA-N 544.080 7.170 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1OC 1872793974 DAFBTBQBJCDDNK-VIZOYTHASA-N 519.848 7.015 50 10 KKGE O=C(c1cc(I)ccc1Br)N(Cc1ccccc1)C1(CCl)CCC1 1915768113 HTPVJQLEKIMVNF-UHFFFAOYSA-N 518.620 5.858 50 10 KKGE Brc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924584855 DFVGDYZWNZCSOD-QMMMGPOBSA-N 568.748 7.282 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924616822 TYTMECAIBWXZEU-QMMMGPOBSA-N 600.765 7.730 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(I)ccc1Br 1925585819 ROSCSMPNJVNWMP-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE Brc1ccc([C@H](CI)OCCOCCOCc2ccccc2)cc1 2007814277 MUHZPNMMVMUXKA-IBGZPJMESA-N 505.190 5.175 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 2042445790 LAPWDDROTMAURT-UHFFFAOYSA-N 526.959 5.058 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23CCC(CC2)OC3)c1Br 2072709887 ZVTDSUWIBZPHEA-HTARLIKDSA-N 523.910 6.431 50 10 KKGE FC1(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085500237 MSDWVVPXJCYRBQ-QMMMGPOBSA-N 528.279 7.299 50 10 KKGE COc1sc([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2086138788 GGDLRBWILHWNPQ-NSHDSACASA-N 566.878 6.371 50 10 KKGE CCC(CC)(CC)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468375 JLPWQVMLTFSCFI-CYBMUJFWSA-N 540.359 8.233 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1C2 2141476819 HKTLWZPXWQMHHR-WGUOWYMESA-N 536.327 7.453 50 10 KKGE Cc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)cc1F 2142286453 CTGLKQURHCLBAD-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2150493899 NUTBCLPOVZDCMO-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2S(C)(=O)=O)cc1Br 2150545014 IXMNLOSTYSMMJC-LBPRGKRZSA-N 503.075 5.469 50 10 KKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2cccc(Br)c2CBr)C1 2164876834 MJFZBVFNVOZSJQ-UHFFFAOYSA-N 502.241 6.082 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2179826934 ZATLVRZMGZPGQV-SFHVURJKSA-N 517.283 5.022 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)c(Cl)c1Cl 2203432582 IQHIODHRBIAPKK-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE Cl[C@H](CC1CC2(CCC2)C1)c1c(Br)c(Br)cc(Br)c1Br 2206396142 SRHLXQPSNFGBJT-LLVKDONJSA-N 550.354 7.987 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)s1 2224304929 OIZXUHGDPINUSV-MRVPVSSYSA-N 504.285 8.262 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)c(Br)s1 2263449740 CVKXYTRHCPOLBN-SNVBAGLBSA-N 538.324 7.321 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)s1 2263450016 HEAYDQXVGYOGJD-LBPRGKRZSA-N 517.906 7.023 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2270452043 CTPSCMOSDZOOKC-SNVBAGLBSA-N 556.314 7.574 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2cc3sc(Br)cc3s2)c1 2278096519 LYXJOWATIFTSFG-ZDUSSCGKSA-N 504.039 7.312 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1scc(Br)c1Cl 2279286715 GCJHSGDOPSIBGZ-NSHDSACASA-N 503.481 7.036 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1scc(Br)c1C 2295362814 OKOQIZGMJGDBMY-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 2297457159 ROAUEWNDMFGWMR-UHFFFAOYSA-N 529.445 7.305 50 10 KKGE O=C1C(=Cc2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)SC(=S)N1Cc1ccccc1 2297497952 MRFTZYJOZAWUTC-UHFFFAOYSA-N 648.770 5.532 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OCc1ccccc1 2297551356 DEQHMXRCOCXVHQ-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2300179816 XNRPPYBGWCWKKA-IKMPGZOFSA-N 514.252 6.614 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1 2313570675 CRPOSBHWCLNAJO-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Br)cc1 2313730260 KVJYFMOMPBJLDC-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314610725 LNEAQBWYRJDUKW-UHFFFAOYSA-N 515.529 5.240 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Br 2314619111 ZVOKWAJFODOXJY-UHFFFAOYSA-N 580.442 5.498 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2320218632 AJRMQBRCIWVTEN-ZXFLCMHBSA-N 523.954 7.544 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 2331373248 QRKCXYZQAXFIIC-NRFANRHFSA-N 501.652 6.624 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC(C)=O)c(OC)c3)n2)c1 2331376523 MYYDHUBILKXQEP-UHFFFAOYSA-N 506.580 6.047 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=Cc2c(OCc3ccccc3)ccc3ccccc23)n1 2331469832 AHMZZGXIIISZTF-UHFFFAOYSA-N 502.639 8.232 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336051888 WIAJGRAMTKMISM-LJQANCHMSA-N 543.068 7.608 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cc(I)ccc1F 2338028293 TYUYVEPHBVTDPQ-CQSZACIVSA-N 518.027 6.691 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365596459 VMVXWNFMBZAUCJ-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Cl)cc2I)c1Br 2365597779 KHBUCSMOMOKOOH-VIFPVBQESA-N 560.398 7.272 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1COc1cc(C)c(Cl)c(C)c1 1949580 PYKSEOVRRGFXMB-KKMKTNMSSA-N 564.807 5.619 50 10 KKGE C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 12555898 ACIRTQXEFLTTBD-MDWZMJQESA-N 507.138 5.230 50 10 KKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 27550545 ILFWRIFCIOUSCJ-BCHFMIIMSA-N 519.592 7.082 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)cc1 35446193 BGPPLUJGFMKKNE-DIBXZPPDSA-N 521.624 7.378 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 38659596 PFTHMLHLBLZOQC-MUUNZHRXSA-N 514.578 5.566 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 38685477 QUZOEZDDIZZJLP-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE CCCCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100146142 BVCXKFKQRQMCKS-UHFFFAOYSA-N 550.247 5.384 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212206 YIKKKOOCRIVRLE-IBGZPJMESA-N 533.422 5.452 50 10 KKGE O=C(NC(=S)NNC(=O)c1ccccc1OCc1ccccc1)c1ccc(OCCc2ccccc2)c(Br)c1 100212950 ADGGDIIGQZCBOS-UHFFFAOYSA-N 604.526 5.599 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1 100232822 SGNXOSSSXJYDDJ-NDENLUEZSA-N 525.830 6.934 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335440 RBCGQBUQMJBWRB-RGVLZGJSSA-N 583.382 5.950 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 101036756 MENPOCVMQKOAQT-VWLOTQADSA-N 547.621 7.237 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246756 CPVJJGKXBBEEGM-AFXLCRDISA-N 568.482 6.466 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101332558 HSMGQARDLWUIAY-OGLMXYFKSA-N 549.030 6.384 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101334309 PEEIQFSLLXEYFL-QXGKLVPHSA-N 542.639 6.509 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101335339 HKBMNYJXFHQOQZ-RDRPBHBLSA-N 562.601 5.496 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337604 KFGJQGTZYNDYEU-YQYQDLDPSA-N 556.666 6.990 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101370751 OSEJIEHPUDBVLE-WENCNXQZSA-N 542.632 6.198 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)c1 101375128 QEGFUAGRPNOISF-JGCGQSQUSA-N 570.686 7.126 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382397 USPAESRYDDPODP-MGBGTMOVSA-N 546.623 6.339 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(C)cc2)c1 101382463 PWYZKUNLWAQJHX-WJOKGBTCSA-N 532.596 6.410 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386210 CFSRHSQFFZHASY-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386580 MJZILDQQHOTGGL-HKBQPEDESA-N 587.003 6.269 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386885 YAFWWSGQIAKNJB-GSTQUKTASA-N 594.639 6.567 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1 101392937 DFMSCTUOYPJKOZ-HKBQPEDESA-N 593.035 7.420 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 101394581 SMBBJSRSMNITSW-MUUNZHRXSA-N 595.479 7.183 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCCC(C)C 101395844 FOFRXDXPMXZLEV-PMERELPUSA-N 570.617 7.141 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)C2CCCCC2)c(OC)c1 102347391 DDOIYIBWQPVDBI-JCMHNJIXSA-N 544.629 6.242 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 103015199 RVTWBPRTIVPKPB-NXVVXOECSA-N 525.971 5.663 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1 103876716 QEKYCYWDHALXBY-FJEPWZHXSA-N 578.260 7.454 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 150483713 PSXCSVWITCHLEV-HHHXNRCGSA-N 651.930 9.017 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1 164633575 MGNAMBPTAYXEHZ-LGJNPRDNSA-N 622.200 5.985 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O[Si](C)(C)C)cc4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C 195803562 MCKRDIGCTGOZEH-PJZCFIFPSA-N 504.936 7.807 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 196824680 YUZLCBDCWPRCMA-JDWOTINSSA-N 620.771 6.056 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 205651821 TVNRZGADJQZXSH-ZYRHXEBESA-N 500.554 6.624 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 205664648 XTESFDJSYMPGPE-OHBZWMTMSA-N 518.544 6.242 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 214271131 MEMYWQKKZWYIEZ-QQXSKIMKSA-N 508.622 5.885 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 215781274 LAVSLNMQPNHPSL-BFGQKJOBSA-N 697.001 9.876 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1OC 234898596 HWRQVOIRRNGFDW-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c(I)c1 236171512 DAVNFWFNTVMBCQ-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(/c1ccccc1)c1cccs1 253567705 KJFHOGJZFZFIGV-KRUMMXJUSA-N 614.538 5.403 50 10 KKGE CCOc1cc(C=NNC(=O)CNc2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254702025 NBLPBJBLUXASAB-UHFFFAOYSA-N 529.509 5.409 50 10 KKGE COc1ccc2oc(C(=O)OCC(=O)N(N=Cc3ccccc3)c3cccc(C(F)(F)F)c3)c(C)c2c1 254808544 RUHFIXZSYFDXNN-UHFFFAOYSA-N 510.468 5.993 50 10 KKGE COc1ccc(O)c(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1 254840780 OCPQRFLFXGVMLB-GOSISDBHSA-N 642.523 5.138 50 10 KKGE CC(C)CCN1C(=O)C(=NNC(=O)CCCCCCC(=O)NN=C2C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 254867607 KLALYOGLGWTXNA-UHFFFAOYSA-N 600.764 5.153 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(O)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@H](O)[C@]1(C)O 255973351 GAYMGJQYVVDZLC-OSYOWCKXSA-N 965.425 6.690 50 10 KKGE N#Cc1cc(CBr)ccc1Oc1c(I)cc(Cl)cc1I 312546352 GESAZBNLYXNXCJ-UHFFFAOYSA-N 574.381 6.108 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2Br)C1 382679008 AHVOMBLPLZPWCD-DOTOQJQBSA-N 500.174 5.236 50 10 KKGE Clc1cc(I)c(OCC2(CBr)CCC2)c(I)c1 384112278 DUZDZRWWVSJZOG-UHFFFAOYSA-N 541.392 5.493 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 385159596 UGQMPFVXXUZJOM-LLVKDONJSA-N 538.324 7.482 50 10 KKGE FP1(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=NP(F)(F)=N1 606516361 XJLVTUPWPDSAJC-UHFFFAOYSA-N 663.816 15.082 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(N)nc43)C[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642771712 CYASLZHOOBYEDA-NJZAESGASA-N 808.024 7.373 50 10 KKGE Cc1ccc2nc(CCl)n(-c3cc(I)cc(I)c3)c2c1 690394029 VKQODTREFMXEPB-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE Brc1cc([C@@H](Br)c2scc(Br)c2Br)c(Br)s1 705416747 AWHGILYWTLQLSZ-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE O=C(NC1CCCCC1)[C@H](c1csc(C(F)(F)F)n1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237585 KPYYPVWYRVTBCM-KRWDZBQOSA-N 527.918 5.943 50 10 KKGE O=C(c1csc(C(F)(F)F)n1)N1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725238640 ONTPDYIURYEQHB-LJQANCHMSA-N 625.016 5.540 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2cc(Cl)cc(Cl)c2)cc1 725403237 JCFSRSFCBNXABU-UHFFFAOYSA-N 637.511 7.074 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817660 WUWBJKZWDLYUSB-MOUVJORGSA-N 684.943 5.808 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 1084158661 YYEUWQLDEGTUDF-UHFFFAOYSA-N 740.439 9.316 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1084502726 KFDLJAKJPPSFRP-UHFFFAOYSA-N 529.656 7.026 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Cl)c1 1084607033 AHVMJHQIDZWHAO-UHFFFAOYSA-N 568.504 8.411 50 10 KKGE C/C(=N/NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 1614536014 YOXLFXVJFLZTQW-RGXNXFOYSA-N 519.428 7.305 50 10 KKGE C/C(=N\NC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615527039 XLCRHAQMJDPQIQ-VYKBLDIJSA-N 646.788 6.431 50 10 KKGE N=C(O)OCCOC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1615943881 JNCLMSZNPLOAMT-RXMQYKEDSA-N 691.116 6.715 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 1772745811 IAVXZQRFZDCDTH-UHFFFAOYSA-N 548.393 5.597 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748411 XCBIRGGZTJNWDP-UHFFFAOYSA-N 514.585 6.526 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749079 WKQHLGLLCYIGNW-UHFFFAOYSA-N 500.338 5.346 50 10 KKGE CCCCOc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]5[C@H](C)CCCC(C)C)[C@@H]4C[C@H](Br)[C@@]3(Br)C2)cc1 1848703402 JLDCYPYVMUNTNF-VTVWTHIASA-N 722.687 11.403 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682521 QQNDJPXDPHGZFQ-SANMLTNESA-N 525.052 6.776 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687357 PHTRLZRKJNYQPI-MHZLTWQESA-N 512.997 5.699 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688925 FSTIUSHJZJZMLH-QFIPXVFZSA-N 529.394 5.543 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865691935 FIGXXGQARVVUFM-HXUWFJFHSA-N 577.401 6.118 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701232 PMHMVBQWHDXHOW-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706114 NWRKHJAQKDLDQZ-DEOSSOPVSA-N 527.968 5.695 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865708767 FRLCYOPHCCHIEH-QHCPKHFHSA-N 512.953 5.206 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709695 ZRVWNVKDDBYKJP-RUZDIDTESA-N 506.562 5.140 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139555 QHKYPGXXERPSSW-ZCYQVOJMSA-N 554.137 6.320 50 10 KKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218331 AMVBLEUXFFVJGO-PWUYWRBVSA-N 535.641 5.862 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1C 1872746393 GDARWDTXMYGDAO-OQBSLIKLSA-N 510.615 7.178 50 10 KKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 1872747951 AJPYRQJMPMDQRP-QOCHGBHMSA-N 520.463 6.241 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872757417 DVYVDTBUYAVPSJ-XIBJSWNYSA-N 507.999 5.976 50 10 KKGE Brc1coc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 1899859270 YNPMZDUVJZTWJJ-GOSISDBHSA-N 501.012 6.868 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ncsc2Br)c1 1899864734 RPKZNSIJPSHPPU-OAHLLOKOSA-N 518.068 6.731 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1sc(Br)cc1Br 1922934392 GDPFAUOODIUFLD-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(I)c(Br)c1 1924050778 DEIMDELOSSCYED-RTHLEPHNSA-N 559.865 6.451 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2COc3ccccc32)c1Br 1924596188 KJFBLERKIXPUQL-XCBNKYQSSA-N 531.889 6.648 50 10 KKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1C 1924596204 KOUPLFZIOWFBSF-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]3C2)c1Br 1924605340 POSHGWGAIALWBJ-VOQBNFLRSA-N 507.911 6.908 50 10 KKGE Brc1csnc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924605497 SDYVHBBFFUWLID-SCSAIBSYSA-N 575.765 6.739 50 10 KKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]12 1951245290 HVOWWFINYLJFLV-AFEYRNFISA-N 509.883 5.897 50 10 KKGE CN([C@@H](c1ccccc1)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)[S@@](=O)C(C)(C)C 2080759033 NYESSIWTNJZMIH-BTDRIEDLSA-N 617.795 8.360 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2CCC[C@H]21 2085494392 LOLAZLZTNOBEOX-YGDJMMPJSA-N 522.300 7.063 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ns1 2085495704 RYRJKMGIAAAGIN-SNVBAGLBSA-N 648.632 7.440 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCn3ncnc3C2)c1Br 2108969198 MEBLIQRCROGVLS-YLWLKBPMSA-N 534.897 5.326 50 10 KKGE Cc1nc(CCl)cnc1Oc1c(I)cc(Cl)cc1I 2129661085 AHWYAGLFFMJCAS-UHFFFAOYSA-N 520.923 5.179 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cn(C)nc2Br)c1Br 2136377054 LIKZHGZAPPPBFL-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Br)sc1Br 2138251766 KVEXGIPPBZRURQ-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE CC1(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141469583 BGFSBUSAWNHYFO-JTQLQIEISA-N 582.794 8.143 50 10 KKGE FC1(F)CCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477607 SGJGVZBLWOLHCH-BLTYZCFWSA-N 546.269 7.452 50 10 KKGE Oc1nc2cc([C@@H](Br)c3csc(Br)c3Br)c(Br)cc2[nH]1 2150344040 BBJVIXOMQWMYRB-SECBINFHSA-N 545.876 6.102 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1csc2c(Br)cccc12 2169669244 ZAFRVLVGTQIGMQ-CQSZACIVSA-N 526.006 6.892 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c(F)c1Cl 2201619322 PQLDOKQUNFSDEH-NSHDSACASA-N 509.797 7.281 50 10 KKGE Fc1ccc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206407411 CFLZWCTUQWWXLM-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE Brc1ccc([C@H](Br)c2ccc3c(c2)CCCC3)c(I)c1 2207272660 PAORNSJLAMZYLO-QGZVFWFLSA-N 506.019 6.417 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ncsc2Br)c1 2252836492 CQDZJVUJUZUSQC-SECBINFHSA-N 504.867 6.109 50 10 KKGE Cc1sc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1C 2288344196 HEICTMGPEYZWHE-LLVKDONJSA-N 509.435 7.259 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293198273 OYAFBGSNTVUHOM-QHCPKHFHSA-N 542.875 6.389 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)c1 2294193289 ANGBRGFOJMCSJE-UHFFFAOYSA-N 544.054 8.409 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(Br)c2)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 2294217735 FDJVALSVLWLFGJ-UHFFFAOYSA-N 560.279 5.743 50 10 KKGE O=C(NN=Cc1c(Br)cc(Br)c(O)c1Br)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483059 VTWYHPQOMIEYAW-UHFFFAOYSA-N 666.120 5.330 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1ccc2ccccc2c1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2295956241 LZUPRBQLBPIWNV-HKBQPEDESA-N 630.169 8.387 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(Br)ccc2O)cc1 2296645025 IPSNXMDEOZCJNR-UHFFFAOYSA-N 569.887 5.576 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2296729533 WKUQNSMPCFDIIY-UHFFFAOYSA-N 501.995 6.096 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1cc(Br)ccc1O 2297457260 AQJAGBAARZXJTA-UHFFFAOYSA-N 527.396 5.614 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 2313548897 IGSKYZAKOLVDGS-UHFFFAOYSA-N 507.590 7.177 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 2313568469 SXXSVOJWPOBLAH-UHFFFAOYSA-N 531.406 6.339 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(C)c1Br 2314446879 YADPZZGMDSIUAR-LJQANCHMSA-N 500.683 7.797 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)nn(C)c1Br 2314502779 LUSVYZPUZZKNFN-QGZVFWFLSA-N 529.070 6.317 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592787 BSMONNJYUJEHKD-DEOSSOPVSA-N 504.011 5.091 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C(C)=C(C#N)C2=O)cc1 2314620825 VPRKRGWPGOJKNB-UHFFFAOYSA-N 670.769 8.115 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634872 YBKJHGCYTCUPND-LJAQVGFWSA-N 515.009 6.746 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643240 KPQZPHCUXRSFMR-HKBQPEDESA-N 552.989 6.895 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1OC 2314750875 AOHRGAHBSGATDB-UHFFFAOYSA-N 572.658 6.336 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cnsc1Br 2317411884 YZMAQYAJPXKMKK-QMMMGPOBSA-N 522.857 6.362 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331350875 ACCDKSXDRVOJKH-UHFFFAOYSA-N 518.551 5.113 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C)c(Cl)cc4OC)cs3)cc2C1=O 2331390629 VGISXURXPPOXQQ-AWEZNQCLSA-N 507.999 6.125 50 10 KKGE Clc1ccc(C[C@@H](CBr)c2cccc(Br)c2)cc1I 2337220882 IHCNTELJTUBKGT-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE Fc1cncc(OCc2ccc(I)c(Br)c2)c1CBr 2350057809 KIBXWBBMDPIFDO-UHFFFAOYSA-N 500.931 5.062 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Br)cc(F)c(Cl)c1F 2364072758 XJBMYXVVWAPKAV-MRVPVSSYSA-N 513.789 5.967 50 10 KKGE Clc1ccc(CO[C@H](CBr)c2ccc(Br)cc2)c(I)c1 2365644258 BNDRUWPZJJVWRC-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)c1 3083448 QMLBJRSVBWUZCF-DHRITJCHSA-N 502.352 5.512 50 10 KKGE C/C(=N\NC(=O)c1ccccc1Br)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 20159237 PCBKNIWWMFMJPA-UVHMKAGCSA-N 505.199 6.162 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1C 35190372 SOZORRTZSILYOF-STZFKDTASA-N 505.983 5.404 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1 38685415 UXABCKVHLMZSCJ-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813678 WKQHLGLLCYIGNW-OGLMXYFKSA-N 500.338 5.346 50 10 KKGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 59500491 SNDWCZSNBNZIBU-ZMFRSBBQSA-N 514.763 5.044 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1 100238441 IQHMHQRBVDLOIZ-DVMDLWDRSA-N 620.459 5.771 50 10 KKGE CC[C@H](c1ccc(OC(=O)CBr)cc1)[C@H](CC)c1ccc(OC(=O)CBr)cc1 100270403 DYLZYDLNNJQIMD-WOJBJXKFSA-N 512.238 5.975 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242726 MKVGGJFSGMEGJL-GFPZRUSRSA-N 559.997 6.311 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 101375332 PYPGMCHHWPWBBC-YTTGMZPUSA-N 556.659 6.555 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 101376835 NZJOYCGEXBXLNP-MUUNZHRXSA-N 533.024 6.338 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 101377218 YXHSHOJZUMJBKC-XIFFEERXSA-N 544.651 7.211 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380869 OEKCHTWGBTZPBH-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1C 101380950 IOQCDNAZDIOSPF-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383419 GBEYCPXRKMOYCP-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)oc2ccc(F)cc12 101394118 RUTWJBYSOXPIHB-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101394231 KAYQKVQMASFXSP-HHHXNRCGSA-N 544.991 6.629 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101394801 ZSYNNLFBXSIAML-YTTGMZPUSA-N 580.681 7.763 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101395241 DYAJVNWEKSHXSV-SSEXGKCCSA-N 552.627 6.983 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 101396975 NYZXYTVAITYVPF-NDEPHWFRSA-N 543.019 7.401 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 101730202 DONRWDSRWDWSLG-RPCRKUJJSA-N 553.615 5.983 50 10 KKGE CN(C)[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)c1cccc(P(c2ccccc2)c2ccccc2)c1 103745394 AEPYARMANOGFES-KXQOOQHDSA-N 566.645 6.913 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430003 SUKTXGZXSWTDKX-DIPNUNPCSA-N 643.139 8.273 50 10 KKGE C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1 163779569 FWVFMWLBOGZMOC-LTTYKRRRSA-N 650.372 5.114 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 164613300 DIQLTZJJQREOQG-XKJRVUDJSA-N 632.106 6.935 50 10 KKGE Cc1cccc(C)c1C(=O)N1CCC(N2CCC3(CC2)OC(=O)N(CC2CCCCC2)C[C@@H]3C/C=C/C#N)CC1 169157870 RCOAPZLXDIRZEJ-LZLSOFMDSA-N 546.756 5.861 50 10 KKGE O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 198744586 UKFRVJXCTJWXMD-OCSSWDANSA-N 568.438 5.777 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)cc1 205783031 KNQBPFZLOTYQTP-DQLYMOAESA-N 660.752 5.096 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206680077 WJZLCKJHSMQZFX-WHDRFIEPSA-N 514.578 5.699 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 206690476 LJMNRSCUJXGYQD-SLCDSSBPSA-N 548.595 6.099 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 214276905 JPALPMCPEJTGOY-CEUNXORHSA-N 540.623 6.205 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 214315487 AXNBNFOOZXGKNK-MYYYXRDXSA-N 536.563 5.853 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 214399164 GVSUZCGKZSEGEC-SNCSUOKWSA-N 661.784 5.557 50 10 KKGE CCCOc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 229005609 IQIYBWKPUUKVGT-ZDUSSCGKSA-N 547.932 7.309 50 10 KKGE CC[C@@H](C)c1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 233865421 DPIWPTZGHGBSHC-PIGZYNQJSA-N 508.035 7.052 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2cccc(F)c2)C(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 252595726 CDCRFARFBCBXDS-DPWXYDHTSA-N 596.062 5.383 50 10 KKGE Cc1ccc(-c2ccc(C=NNC(=O)/C(=C/C=C\c3ccccc3)NC(=O)c3ccccc3)o2)cc1Cl 252622170 NQFDAHBUFPMQPN-DDQBTNHTSA-N 509.993 6.386 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CSc1nnc[nH]1 253565955 IJNYHMHECPSRFN-STBIYBPSSA-N 520.707 5.013 50 10 KKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254295082 XGYBSNTZGFBPOB-UHFFFAOYSA-N 553.434 6.236 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OCc1ccccc1 254342076 RVHLHHQHSAJGAE-UHFFFAOYSA-N 536.704 5.660 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 254791246 CLQBRDMFVCRGDI-UHFFFAOYSA-N 508.405 6.855 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)NN=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 254819914 NZXPLQLHUAHAES-UHFFFAOYSA-N 522.734 6.955 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(OCC(=O)N2CCCC2)cc1 254843034 UMERHQQCMZEFMU-UHFFFAOYSA-N 544.702 5.744 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccc(-n3ccnc3)cc2)c(C(C)(C)CC)c1 254866187 BJLKLFDFCUPHIN-UHFFFAOYSA-N 502.703 6.947 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)c2C)cc1 254869771 JKNDLZFLEBYNIB-FGZHOGPDSA-N 530.669 5.425 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025396 ZABGVVSMPPOCTH-SIMYBTSOSA-N 728.779 12.831 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 312719256 GIJQIPFGAYHISR-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)c(Br)c2)C1 382703227 DKEXKEDEFHHYGO-CVEARBPZSA-N 518.164 5.375 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585746 FAGFLKDXAVYVFV-XCRFIODOSA-N 672.973 7.366 50 10 KKGE COC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 725417060 DNEARUTUWYZAFK-GOZZSVHWSA-N 539.997 6.328 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1083944085 XABQDKSOPYENMJ-OVCLIPMQSA-N 753.987 8.090 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(O)c(I)c2)cc1 1084093106 WPJIBUPWFXSPMB-UHFFFAOYSA-N 521.358 5.527 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccccc1Cl 1084154026 TVIRRQVYXHEMGN-UHFFFAOYSA-N 520.754 5.296 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1C#N 1084213153 YNJCABNICMAQGR-LJAQVGFWSA-N 541.648 5.627 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(c1ccccc1)c1cccs1 1084220958 LXFIEANJZVKACY-SFHVURJKSA-N 628.565 5.792 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccs1 1084351709 WXYXZNMWAJTWCW-UHFFFAOYSA-N 524.429 6.650 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 1084413629 QJRIMWMAAPCUCW-SSEXGKCCSA-N 526.637 5.771 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084422640 VBVNGILWRNAWGF-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1OCc1ccc(Cl)cc1 1084479112 HUTFOULYZYRRPH-UHFFFAOYSA-N 565.522 8.027 50 10 KKGE C[C@@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084636381 CEHAIYCQCHAOBX-MRXNPFEDSA-N 532.232 5.708 50 10 KKGE C/C(=N\NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525918 HLQHMAMMFYZHNL-PGZSGORCSA-N 772.971 8.736 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1ccccc1 1772719616 FJISAWBCABQSCW-UHFFFAOYSA-N 515.569 6.284 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5C(F)(F)F)c(C)c43)coc2c1 1772751709 KRAFSFRWDZMGIZ-UHFFFAOYSA-N 537.538 6.621 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1772760516 MBPATHKYVFLPGJ-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865682986 CIRHFJVUXIXWRJ-JOCHJYFZSA-N 523.807 6.726 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685007 BWYJUMFZRIAKBX-QFIPXVFZSA-N 503.389 6.381 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689585 TVJJVRBMDCABLV-MHZLTWQESA-N 575.040 6.415 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865690121 JDZHQGRSVADGIL-VWLOTQADSA-N 541.449 6.699 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)c1 1865692981 HABOARTUSMNWPH-SANMLTNESA-N 545.014 6.406 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693727 QMCVBUGASPTIPK-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1cc(Br)ccc1O 1865696273 LKBXYYKIPSZHMB-OAQYLSRUSA-N 519.786 5.879 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCCCc1ccccc1 1865697359 QKXMROJIFKTRFO-YTTGMZPUSA-N 568.677 6.837 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865701679 BGWMLKAJGGDMJL-QGZVFWFLSA-N 507.285 5.378 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccccc1C 1865703695 ZJPBPPAKKLJFPJ-SANMLTNESA-N 578.566 6.594 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704392 UVFGWGXWFNQXDJ-AREMUKBSSA-N 514.988 6.083 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 1865704669 BJKLXSACEPWCHE-LJAQVGFWSA-N 570.605 5.994 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705791 GCHPOQNYDAQBFD-QFIPXVFZSA-N 568.804 6.634 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc(OC)c1O 1865714133 DISBUZQWRMTOJC-QHCPKHFHSA-N 532.959 5.332 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866634296 FNOUTXCGMYCBHY-OAQYLSRUSA-N 579.704 5.451 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3ccc(C)cc3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866652831 MWUZUTULXSSHOE-NDEPHWFRSA-N 568.655 5.366 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868389515 WYEKKXAMOOXZME-SSEXGKCCSA-N 505.691 7.633 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433687 PQRMQUACGUEUED-XMMPIXPASA-N 532.500 7.979 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(c4ccccc4)[C@H](C)C3)n2)c1 1868504992 BUXQEQLZDSLCSC-SZPZYZBQSA-N 522.678 6.573 50 10 KKGE O=c1c(-c2ccc(Br)cc2)c(C(F)(F)F)oc2cc(OCc3cccc(CCl)c3)ccc12 1871437253 OGZADQNWSCLKKR-UHFFFAOYSA-N 523.732 7.559 50 10 KKGE N#C/C(=C(/O)c1ccccc1I)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941157 YVIABTZYVSIRDV-ATJXCDBQSA-N 506.368 7.032 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(I)c(Br)c1 1923067681 HBMJSSFPELHGEW-MRVPVSSYSA-N 605.742 7.622 50 10 KKGE Clc1sc(Cl)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1Cl 1925620001 HAMSMZMGPJGIGP-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cs2)cc1Br 2004902454 MBYDTBXSXFZDJE-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE CC1(C)C[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 2041483374 RELJLDMXQBCSLJ-RNFRBKRXSA-N 525.926 6.677 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Br)cnn2C)c1Br 2083317053 BTKXRQMUGRNGKP-NSHDSACASA-N 501.842 5.500 50 10 KKGE Clc1cc(I)c(Oc2ccnc(CBr)c2)c(I)c1 2084830486 DQFVKFHQKQAALY-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2COC[C@H]21 2085494260 KSHJNMCQWVQIKJ-ZGVUKUBGSA-N 524.272 5.909 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085495676 RVOUJBSNKSXYDU-SECBINFHSA-N 647.644 8.045 50 10 KKGE CC[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471736 VMLPXWUXKBCTDZ-IHBFAXJASA-N 584.766 6.988 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc(-c3cccs3)s2)c1 2205862223 SJLSIKHBEAIXTP-OAHLLOKOSA-N 540.083 7.328 50 10 KKGE Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)cc1I 2212990879 PZSIZOQGGWJFLI-IBGZPJMESA-N 500.218 5.662 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2225632269 BHMMQXWTJRZTRV-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232512050 MPJMELKEBCQXEE-NSHDSACASA-N 526.252 7.795 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)c1 2241001300 NYRPHQGAGCLEQP-INIZCTEOSA-N 528.453 7.070 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)sn2)c1 2252831998 WTBYOHITDMGNGH-VIFPVBQESA-N 504.867 6.109 50 10 KKGE CCc1cc([C@H](Br)c2ccc(F)cc2I)sc1Br 2256053003 JYKPGPSYWQDRQE-GFCCVEGCSA-N 504.000 6.301 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Br 2267764915 YDNBDHYFMSPHMX-QMMMGPOBSA-N 576.732 7.966 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Br 2283568549 OPZHJMDYSKAIPJ-NSHDSACASA-N 540.342 6.609 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283575773 YBGPAXXOXZZWLY-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 2296544478 LTWMDDCDSVYIKO-UHFFFAOYSA-N 521.360 5.738 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 2297461989 RFVQZGPUMFYQHO-UHFFFAOYSA-N 525.472 6.048 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 2313518198 RSZWUPATIFKOKA-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1 2313518829 VWQRRUVGXBNUIQ-UHFFFAOYSA-N 558.803 6.468 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 2313570580 AFHCFQDZSMXGDB-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314532535 KLHRSFDTMVLXFI-UHFFFAOYSA-N 506.440 5.060 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(C(C)(C)C)cc3)nc12 2314533883 UODKBDMSLSDUCS-UHFFFAOYSA-N 547.442 6.945 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C(C)=C(C#N)C1=O 2314610482 ITBNRYHKGLVMQU-UHFFFAOYSA-N 539.592 5.629 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618064 GMDUWXDPLQTVMT-LJAQVGFWSA-N 639.539 7.196 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634206 BHGYCINBQBJJBX-MHZLTWQESA-N 505.401 6.954 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646713 KOUOAVIBPSSHAP-MUUNZHRXSA-N 618.715 5.245 50 10 KKGE CCc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 2314770770 ZHEXQXKCFMJNDV-UHFFFAOYSA-N 537.410 5.592 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 2320727277 JKRJQWKGTCOHIX-INIZCTEOSA-N 585.513 5.628 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1 2329617855 ROYMWINXNZIDHC-UHFFFAOYSA-N 514.999 5.528 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331444014 ZZVUYAGUBWAYGQ-UHFFFAOYSA-N 513.449 8.913 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2csnc2Br)c1Br 2339655373 FEOFDSALLQBQLS-SECBINFHSA-N 534.893 6.232 50 10 KKGE O=S(=O)(N[C@H](CCBr)COCc1ccccc1)c1c(Cl)cc(Br)cc1Cl 2343438972 LOFRLVJMFGCQIR-CQSZACIVSA-N 546.108 5.405 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Cl)cc1Br 2360425757 FQTNXIGVMPRXHG-LLVKDONJSA-N 526.252 7.795 50 10 KKGE CCc1nc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2362231659 GVECGLNIXAJHRO-SECBINFHSA-N 526.878 7.114 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2ccc(Br)c(C)c2Br)c(Cl)c1 2381303636 MQDXILGCBLKXBK-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccc2ccccc12 2902718 VHSVGHWVVNVTQN-LQKURTRISA-N 503.352 5.594 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)CNc2c(Br)cc(Cl)cc2Br)cc1 3091080 IITMZYIPYKOMLU-BHGWPJFGSA-N 516.665 5.273 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3cc(Br)ccc3OCC(C)C)cc2)c1 14666955 LFPHRKGUMHKEGE-UHFFFAOYSA-N 524.415 5.119 50 10 KKGE COc1ccc(/C=N/NC(=O)CSc2nc(=O)c3c(-c4ccc(C(C)C)cc4)csc3[nH]2)cc1OC 19651457 QWOIDNPGDKZBOP-KKMKTNMSSA-N 522.652 5.035 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 33751392 YJRHJBOFLKZMLU-UZYVYHOESA-N 522.605 6.037 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 38686425 HLZRHUXKKLPLMX-SSEXGKCCSA-N 506.533 5.771 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813489 VLICVEPUWAANDC-OGLMXYFKSA-N 502.861 5.151 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822992 ORNAVYPBTVKBBO-OGLMXYFKSA-N 515.795 5.430 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OCC 54624762 XMBMNEQRZYOPBV-HAVVHWLPSA-N 509.599 5.671 50 10 KKGE C[C@@]12[C@H](CC[C@H]3[C@H]1CC[C@@]1(C)[C@H](C(=O)Nc4cc(C(F)(F)F)ccc4C(F)(F)F)CC[C@H]31)NC(=O)C[C@H]2Cl 77285650 MKZGQDFQXQLWNU-CTQWVBLWSA-N 564.998 7.017 50 10 KKGE in-vitro CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100064517 BITFGSOKWTUQIG-UHFFFAOYSA-N 534.248 5.502 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101339367 GJSZXMKHBSWZSG-AFUMVMLFSA-N 621.517 6.823 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101339823 VRQFGLIJIGGNMQ-FOKLQQMPSA-N 542.975 5.449 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341039 LYYCEAXFCQJCBY-BUVRLJJBSA-N 559.022 5.137 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101376736 QSTVIFPBXRSMTA-MHZLTWQESA-N 539.415 6.375 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379378 ZAZINPAVQDLMGI-PMERELPUSA-N 553.014 6.755 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380831 CDZHVCRYPCQUOQ-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101381014 WVPYZDHBZUGMOA-KATKFWMUSA-N 578.640 7.119 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)cc(C)c5)ccc43)c2)cc1 101382317 OSSJIICQJNCDRG-MGBGTMOVSA-N 546.623 6.393 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382689 KWGUPIXHVYGTIA-HKBQPEDESA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383221 NFTCTSLXXADDCS-RCKGABTRSA-N 534.999 6.756 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384770 GSYGOGDKRVVXTA-SSEXGKCCSA-N 618.429 6.683 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386813 NNCGEXPYSRSCSP-UMSFTDKQSA-N 608.666 6.913 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387533 QCWOKADZIVDZPY-MHZLTWQESA-N 563.393 6.611 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101388603 AAPXHNTYJNOUGV-CGKQSPDFSA-N 615.057 7.048 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1Cl 101394344 VSCWIDURACRFEM-QFIPXVFZSA-N 564.252 7.526 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)c(C)c2cc1C 101398915 ZTLGNIMAKANFLJ-YTTGMZPUSA-N 625.508 8.681 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OCc1ccc(Cl)cc1 105055164 LSUJBIBVTQSDFU-KVAAJVFYSA-N 583.899 7.967 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105071953 WLNNYNSXYIXNOC-XZYGTATASA-N 569.444 7.709 50 10 KKGE O=C(NCc1ccccc1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 109843533 XPBJIJITFBSDGQ-YMZYAJTMSA-O 617.709 7.096 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)C[C@@H](C)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 115598744 BQUNSIYVDVZZEA-CZFRINIUSA-N 552.723 8.887 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 150382777 RGWDRRRBEGBQID-RUPVGHTCSA-N 637.268 5.325 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1Cl 150442047 DWHMCJRLJDGPJK-SSEXGKCCSA-N 631.910 7.518 50 10 KKGE Brc1cccc2c([C@@H](Br)c3cccc(I)c3)csc12 163391144 DLJLORIPCAYABG-AWEZNQCLSA-N 508.016 6.753 50 10 KKGE COc1c(C)cc(P(C[C@H]2OC(C)(C)O[C@@H]2CP(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C 195826442 SKXXXRFPVHLNLJ-XPSQVAKYSA-N 730.863 8.274 50 10 KKGE C=CCCCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 197680475 JAINWPINHUITAG-FZTXTFOVSA-N 799.005 7.948 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@@H]2CCCCO2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 211874229 VAQLZJZVGRUENW-VSPOFCPYSA-N 729.292 13.315 50 10 KKGE CCc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1CC 234185677 IJRZXGQRMJASMK-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Cl 235018688 KXYKBCLABULSIV-CQSZACIVSA-N 506.392 6.744 50 10 KKGE C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 247532651 PJXWXHJDJODISP-DOIPELPJSA-N 541.071 6.076 50 10 KKGE COc1cc(C=NNC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 252611900 IOEHWJYYCOHCSD-UHFFFAOYSA-N 754.752 8.805 50 10 KKGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1 254289531 GREDUHFRYUFHKZ-XIFFEERXSA-N 594.693 5.251 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=Cc1cc(Br)cc(Br)c1O 254309295 QYQAOYDESRTMQL-UHFFFAOYSA-N 706.202 5.154 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)n2-c2ccc(C)cc2)cc1 254415580 UXOVPGGLUDYKHL-UHFFFAOYSA-N 593.709 6.081 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Cl)cc(Br)c1O 254716389 QNGZLGLCCYFRRB-UHFFFAOYSA-N 570.300 5.094 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 254739926 DKOVFCINKXDBDI-UHFFFAOYSA-N 563.635 5.932 50 10 KKGE CC(C)(C)c1ccc(C(CCC(=O)O)=NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1 254868661 AEGIBBWSTMOYII-UHFFFAOYSA-N 508.618 6.715 50 10 KKGE CC1(C)[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 310439216 VSNCAQTVWJHZLH-UWVGGRQHSA-N 541.392 5.490 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccccc2Br)C1 382679025 AHVOMBLPLZPWCD-WBVHZDCISA-N 500.174 5.236 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)N=[N+]=[N-] 504160233 XIAFYLGSFHUSBQ-HZFUHODCSA-N 572.040 10.530 50 10 KKGE O=C(NC1(CBr)CCCCCC1)c1cc(Br)ccc1I 713489798 GBCSZNXJQMKCIH-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725408271 KTUFGUJJTDGHPQ-AAYZJPSRSA-N 643.184 7.350 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1083916228 AAEOLSXPGIRUGD-MUUNZHRXSA-N 591.502 6.553 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc3c(c2)OCO3)cc1 1083987287 HWOUCJFUJRYIRP-UHFFFAOYSA-N 529.596 6.524 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 1084022088 DVCHEEAOWZSYBR-JOCHJYFZSA-N 546.259 5.755 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084149836 FCQFNVCUNAESNF-UHFFFAOYSA-N 564.483 7.558 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 1084254165 POWCRTOYEBSEBL-DEOSSOPVSA-N 586.439 5.308 50 10 KKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc2ccccc2c1 1084262486 KGQRSJDQWHLHCX-UHFFFAOYSA-N 526.228 6.437 50 10 KKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 1084301129 MNBHPWPPQUPBOD-UHFFFAOYSA-N 501.920 5.889 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084332955 ZFCXJQHTIHWRHF-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1084651110 SZXCFHYORMCSAU-UHFFFAOYSA-N 520.438 5.122 50 10 KKGE O=C(Nc1ccc(OC(F)(F)F)cc1)N(CCc1cccc([N+](=O)[O-])c1)/N=C/c1cccc(C(F)(F)F)c1 1615950644 XNRXHGJOVAISKJ-IBBHUPRXSA-N 540.420 6.623 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1OC 1772742756 HHRCQRFPXHNOQU-PNUIFPCISA-N 521.577 5.867 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(Cl)c5)c(C)c43)coc2c1C 1772752074 TYGGIGSKYBKDAU-UHFFFAOYSA-N 503.986 6.256 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865693043 KUECDUAVXDCVRJ-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694964 GVNJEXXGUPQDCR-HHHXNRCGSA-N 561.469 6.856 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695587 QDDHXLRMHACERX-SANMLTNESA-N 565.888 7.251 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865696394 FSVLRRKUXQDUGD-AREMUKBSSA-N 523.593 5.349 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1Cl 1865703168 OVRMMSLEGJCMEO-RUZDIDTESA-N 512.997 6.029 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704068 MARXSVWRQSYTEX-AREMUKBSSA-N 575.894 7.038 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704201 PUZURKYGDLNQTM-SANMLTNESA-N 565.888 7.251 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)c1OCc1cccc(C)c1 1865705236 PDTCUWCTRUOSDD-MUUNZHRXSA-N 541.611 6.049 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706477 XOVSETTYNADQOD-QHCPKHFHSA-N 548.386 6.040 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709491 WHIHAINEGOKNNQ-QHCPKHFHSA-N 512.953 5.177 50 10 KKGE N#C/C(=C\c1cccc(Br)c1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866130888 REUKMALUSGGDJL-OCEWKHMESA-N 561.432 5.108 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@H](Cc4ccccc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866883120 FBQDEURRLXAHQU-HHHXNRCGSA-N 532.625 6.356 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1868253592 MZONDQQVMOFUFM-OAQYLSRUSA-N 526.460 5.323 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4nc5c(s4)CCCC5)CC3)nc(-c3ccccc3Cl)n2)cc1 1868413627 CFOULGQSLXCKGS-UHFFFAOYSA-N 559.164 7.833 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1C 1868433808 RDANHVUXTYDCQR-RUZDIDTESA-N 556.091 7.283 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C1 1868456049 IIRZVBGUFDOFCI-LJQANCHMSA-N 511.626 7.328 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872750338 CAEFTIAWJPKTBZ-UZYVYHOESA-N 502.552 5.495 50 10 KKGE COc1c(Br)c(/C(O)=C(\C#N)c2nc(C(C)C)cs2)c(Br)c(OC)c1OC 1872750382 HWHJYIOLRONGEP-ZROIWOOFSA-N 518.227 5.767 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 1873793264 GFCXIQJBRKMCJC-KQBIVOJMSA-N 502.011 5.167 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1873921033 QPODNDVOUJSXNA-NXFYHYSNSA-N 515.034 7.866 50 10 KKGE O=C(c1ccc(Br)cc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313934 PYUKWAWDTSWPNN-GOSISDBHSA-N 516.071 6.028 50 10 KKGE CC(C)(C[C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924570408 JFGWNAAHBAKOQZ-BYPYZUCNSA-N 537.859 7.450 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924571584 SDVNDOYLIBQSSD-ZETCQYMHSA-N 588.804 7.652 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1924614829 ROJRMENWDMMWRQ-XHSYRHOGSA-N 505.541 7.922 50 10 KKGE CC(C)([C@H](Br)c1c(Br)sc(Br)c1Br)[C@H]1CCCO1 1924616908 VBBWXNHGMRIVGV-HZGVNTEJSA-N 525.926 6.677 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2cc(I)ccc2Br)c1Cl 1925589685 VFDCSCPOEBBACR-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE COc1sc([C@@H](Br)c2cccc(F)c2I)cc1Br 2034644015 XUWKQQXLVSJWHO-JTQLQIEISA-N 505.972 5.747 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(C=CC(=O)NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1 2042445799 POSZZINXPRDTII-UHFFFAOYSA-N 608.141 5.916 50 10 KKGE CN1C(=CP(=Nc2cccc(C(F)(F)F)c2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 2053611137 GDIZPASHQWRDDR-UHFFFAOYSA-N 516.547 8.458 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(Cl)cc(Cl)c2)CC1 2077242624 KLZJPHREHCSLKX-UHFFFAOYSA-N 500.204 5.715 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)sc2Br)c1Br 2083335994 WEVMSBIXXRWYLI-NSHDSACASA-N 582.775 7.591 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2083339688 RDPIKTSMHHEEIG-NSHDSACASA-N 501.842 5.500 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2085494959 GTXPAEGBEGIAIO-LBPRGKRZSA-N 522.256 6.966 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1c(Br)sc(Br)c1Br 2086139817 TYEZJBIZXFGPPI-VIFPVBQESA-N 650.193 7.731 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CCn3ncnc3C2)c1Br 2108969196 MEBLIQRCROGVLS-XNCJUZBTSA-N 534.897 5.326 50 10 KKGE Clc1sc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141470293 GAEDLNITUZENLG-SNVBAGLBSA-N 637.638 8.542 50 10 KKGE CCCCCCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470570 IGCWTLYFPQTKJR-VIFPVBQESA-N 584.810 8.533 50 10 KKGE Cl[C@@H](c1ccc(I)cc1)c1c(Br)c(Br)cc(Br)c1Br 2141477171 MPBOYVBDWYCXQR-ZDUSSCGKSA-N 644.164 7.669 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(Br)cc2Br)c(Br)c1 2148685422 NVQFWMVQNXHZLD-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1cccc(Br)c1Br 2148761432 QDJYDAMFMLIYBL-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE CC1(C)COc2c([C@H](Br)c3cc(I)sn3)cc(Br)cc21 2176537663 JIGGKFSDGAUEQQ-LBPRGKRZSA-N 529.035 5.665 50 10 KKGE CN([C@H]1CC(C)(C)[C@H]1OCc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2179790685 HTHMAQIMKAAGKN-RDJZCZTQSA-N 537.339 5.410 50 10 KKGE CCc1ccccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398498 VRWWGDAICLMUIR-ZDUSSCGKSA-N 590.773 7.783 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)cc1Br 2218970777 UPIROZGXDYSSIM-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Brc1cocc1[C@H](Br)c1c(Br)sc(Br)c1Br 2244217325 PNFMNVWOWRUVEF-LURJTMIESA-N 558.709 6.875 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)c(C)c1F 2264471108 MGFKRDNPTWZUOL-LLVKDONJSA-N 535.896 7.276 50 10 KKGE COc1ccc([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1I 2285008491 KIACBXVDWIWBIP-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 2293198332 VOJQYIPBQUIWAV-RUZDIDTESA-N 546.490 5.543 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1sc(C)cc1Br 2295361879 FPAVCLBBMCUOSP-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 2296983537 QZYKNVQNXBVJCI-UHFFFAOYSA-N 641.522 5.664 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 2297321524 OIDCFOWSYYSKBB-UHFFFAOYSA-N 575.496 7.021 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(Br)ccc2Br)s1 2300953742 NRGYJBLORIWENQ-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1C 2314499802 HDTXPQZUMQZMJA-LJQANCHMSA-N 500.683 7.797 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314618409 NBNITAQFROSEQA-UHFFFAOYSA-N 584.607 6.643 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314619548 AZULVVDSZNYLSY-UHFFFAOYSA-N 644.706 8.203 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 2314620147 KMRJLDSGTJCINN-UHFFFAOYSA-N 549.030 6.302 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634438 SSEXPHGSSSGOTK-MHZLTWQESA-N 521.400 6.619 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2317411044 QIFHSIQTCAZUPK-SOCHQFKDSA-N 505.870 6.138 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 2328835309 MNABEEIHNORWKZ-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE CCC(=CC(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329571143 IFXGFYLNFFUOAH-MUUNZHRXSA-N 543.645 5.353 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331440964 GPXSBRGQMIVUPZ-UHFFFAOYSA-N 506.219 6.504 50 10 KKGE CCC[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349809466 SYDGXFUSAWSESN-XBFCOCLRSA-N 500.056 6.576 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360480931 GPWDKQJHDMMYQN-SNVBAGLBSA-N 509.826 6.358 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2366791603 BVLUDQQJUAZDMG-VIFPVBQESA-N 542.345 8.255 50 10 KKGE N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 1768107 AXQUPXRIVQLVPX-XFXZXTDPSA-N 552.759 7.328 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1COc1ccc(C(=O)OCC(C)C)cc1 1950119 JFRBXHIWQQRJKL-WKULSOCRSA-N 539.426 5.613 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1 14648359 ITAQDLQQIJLXPK-UHFFFAOYSA-N 518.452 5.612 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1I 34760901 GNBBBZINAHJOCA-AQTBWJFISA-N 514.750 6.069 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38660165 KPRWACYLJIQJKC-PMERELPUSA-N 528.605 5.694 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccccc1Br 38678682 UKSOGFMWZIIUNE-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 38679376 VMICMFBSMUJKGD-PMERELPUSA-N 528.605 5.810 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38683672 GOUNHMWMYYQSMO-MYUZEXMDSA-N 512.562 5.188 50 10 KKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 59281598 SWPCSLVKSHSACX-UDWIEESQSA-N 511.803 5.913 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 100232017 NNVYMLNCVROEDU-XZJBEKIMSA-N 545.861 6.044 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 100236812 JLKBTSYDQAWNHE-KNFLVYKJSA-N 565.881 6.597 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244847 RNSVVIQSUZQAGM-MZOFLMDJSA-N 522.457 6.675 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245769 QMADYMPVTHJQFD-UZEPBSNMSA-N 562.489 6.221 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(CC)cc3)C2=O)cc1 101246427 QUWVVJNORTZFGW-DTDIEQIPSA-N 539.701 6.665 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)C1=O 101333530 RVHVJOPBXFXKMP-VFCFBJKWSA-N 522.649 6.501 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 101335948 QFWGZZOZKXKAAG-ZTKZIYFRSA-N 552.675 6.046 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101337527 GHBFGCOHJAPXSM-ADIMLFFHSA-N 529.556 5.801 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340221 OICWBIXAIXQMTA-TWKHWXDSSA-N 574.706 6.495 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362630 JQRJAZLCQQSYMF-JGCGQSQUSA-N 546.623 6.882 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1Cl 101366758 VNBDHPZSHAGQBW-HSZRJFAPSA-N 541.387 5.847 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101367656 MZIWKCVXMSQSCR-ONNKAKFGSA-N 531.008 6.364 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379294 MODJWXNCTGCVLU-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381663 UTSUZDJLJWEHMG-PMERELPUSA-N 538.987 6.122 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386006 OHCMONSQWXUIKD-PMERELPUSA-N 569.013 6.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386018 ODZZHIMHBKSNJC-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396887 CQZUUJSDDRRWRX-MHZLTWQESA-N 573.443 7.120 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)oc2c1 101397688 XBEVKMYHTPOZDR-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2c1 101398881 BXLURMDESYKKOP-HKBQPEDESA-N 560.581 7.205 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c(Br)c1 101612404 OBJLIVYDBMWHLD-NDZAJKAJSA-N 579.278 6.454 50 10 KKGE C/C(NNC(=O)c1ccc(Cl)c(Cl)c1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 101615773 ASOVQUPKYROEFJ-KGENOOAVSA-N 522.417 5.563 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccco1 102835071 MHGANUITPCINQO-ULJHMMPZSA-N 518.548 6.074 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 103794963 FQYPBGDPQAEZGB-GYQPNKKZSA-N 524.831 6.054 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1 103881128 SJZNZAQPQSSBOP-UVHMKAGCSA-N 605.226 6.151 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@H]1CC1(c1ccccc1)c1ccccc1 106963020 YJULOOZGDCUFEL-YMSFFTPVSA-N 514.217 5.374 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1Br 109844315 DQSMLPKAGZGOQW-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE BrCC(CBr)(Cc1cc(Br)cs1)c1ccccc1Br 118672002 AHDCBOXMOAAOJB-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Clc1cc2c(cc1[C@H](Br)c1cc(Br)c(Br)s1)OCCCO2 128553406 YMLXOGRYICCTBN-ZDUSSCGKSA-N 517.464 6.572 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433104 VLBHHOIFZIKUKC-UMSFTDKQSA-N 645.539 7.736 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 150497319 KRCGEHMLTGGSCJ-FADJLKOXSA-N 638.699 7.101 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 164628232 USOYQVQUBVBPTA-ODNPBWNPSA-N 724.824 8.816 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164635123 HQNOVNIZUYOJRD-IPBVOBEMSA-N 672.086 7.044 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 198042801 GXEGXEJUOLHCLH-MRMDQXSKSA-N 750.270 13.563 50 10 KKGE in-vitro CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205661345 ARTRXUFHXIZMJK-GHBMYPADSA-N 538.644 6.881 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 205666826 UNFDGAZLYJVNBN-GVHZNUNBSA-N 548.570 6.250 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1 206507829 KTKQFIHHTFZFHH-SVEUREPUSA-N 526.589 5.333 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 214364433 PIHYAZIHNAWPQO-IMRQLAEWSA-N 522.674 6.576 50 10 KKGE COc1ccccc1C=NNC(=O)[C@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 252606991 GXEJHPVZCRUNNN-NRFANRHFSA-N 536.661 5.672 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 252637643 XUZZTYWEMAEZFN-GEIAQZLHSA-N 541.051 6.367 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530911 DMXPKHGQUDHEGW-HAQQFFKISA-N 676.210 5.021 50 10 KKGE biogenic CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254751279 KZVLWHFUHDJTHI-UHFFFAOYSA-N 571.674 5.832 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(I)c(Cl)c2)c1Br 313001544 UWYPWGPIJBWYIM-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE Clc1ccc(Br)c(COc2c(Br)cc(Br)cc2CBr)c1 313106681 YYRGDKWFIGDVKJ-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE ClCc1c(Cl)cccc1Oc1c(I)cc(Cl)cc1I 387934495 GWMMTKUDPXRFIV-UHFFFAOYSA-N 539.365 6.734 50 10 KKGE COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H](Br)C[C@]34C)[C@H]2C1 504477617 JYZNDQLCHFXCEM-JKICDVITSA-N 561.601 7.083 50 10 KKGE biogenic Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(Br)cc2c1OCC2 721574557 ZWNYXAWCBOAXBP-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(F)cc2I)c(C)c1Br 724907974 DXTYPSFSBZNNOW-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1083942763 DJPYUJCAKDOWPS-HHHXNRCGSA-N 547.608 5.274 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc2ccccc12 1083971900 RZVNNDSBWONZNJ-ZXVVBBHZSA-N 596.525 6.836 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 1084046555 WPMYTOXSTIXWLG-WJOKGBTCSA-N 505.618 6.205 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1084196116 AHDCDVFGDBUFGM-UHFFFAOYSA-N 700.357 7.938 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 1084353237 WFDGYWRWOOSHJE-UHFFFAOYSA-N 552.483 6.461 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084506343 MOUGVSOZRFCGFP-UHFFFAOYSA-N 549.693 5.428 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3cc4ccccc4o3)cc2I)cc1 1084585233 AMUBVXIRXDEFDH-UHFFFAOYSA-N 510.331 5.689 50 10 KKGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084598149 HYDIWUBCOXNYSK-UHFFFAOYSA-N 500.982 5.314 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](C(=O)N/N=c1\cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3)c1ccccc1 1565534736 LZYIOYNBXWTSNI-UZLURXASSA-N 593.724 7.326 50 10 KKGE O=[N+]([O-])c1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614694874 QJVXNDAMHWIJJQ-YOEHRIQHSA-N 501.162 5.008 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Cl)cc3)CCC4)ccc21 1772743651 HYJHCWMTKFEFDJ-UHFFFAOYSA-N 539.035 7.092 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749021 VPQMOZWISZOBMW-UHFFFAOYSA-N 582.225 6.222 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772754949 BWXWKXDGEMEFRP-UHFFFAOYSA-N 518.104 6.674 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 1848665537 VOXJHJRLIGNTTG-FAXPPKOWSA-N 644.722 9.986 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688546 UUQUWQZWBDIGNL-MUUNZHRXSA-N 549.030 6.640 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865691027 HGJKDJVDWCJFDR-VWLOTQADSA-N 510.981 5.984 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc(OC)c1OC 1865692750 PCSVDJOUZLCFEZ-QHCPKHFHSA-N 559.420 5.546 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(Br)c1OC(C)C 1865696719 JKCKFWJCLVWQJX-NRFANRHFSA-N 529.822 5.611 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(C)C 1865697410 RURNHLBGHSWZQQ-RUZDIDTESA-N 547.442 6.860 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699299 PYBGSCFEXKYDGW-SANMLTNESA-N 505.553 5.456 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701156 NQDOZCPNANWDHG-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703308 SUWXPDMDDMVVIS-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CC(C)c1ccc([C@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962953 YLHKDSVSNWYYAW-FQLXRVMXSA-N 545.774 7.180 50 10 KKGE CC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041353 ZKXVYPQTISXJJL-VQTJNVASSA-N 529.485 5.534 50 10 KKGE CCCC[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867088823 CGIOPSAYUJIKFX-MUUNZHRXSA-N 538.673 5.961 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867093612 ZXTVYFRQQWTFMU-HSZRJFAPSA-N 521.524 5.047 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 1872753344 SKFAUFMNUVHKRV-YQVNGXGASA-N 513.490 8.972 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758612 IMKHKSWFAXUCDZ-CYVLTUHYSA-N 500.234 8.076 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c(OCC)c1 1872794296 UJMWORYOSFDNLM-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccccc1 1872795309 YMJAPDQFFFXYMZ-UDWIEESQSA-N 507.442 8.159 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 1873496650 ZZJAWWKKXNCDAF-FDAWAROLSA-N 520.029 5.511 50 10 KKGE CCCCC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923071801 LACGVTOHAJKNQQ-RTYFJBAXSA-N 507.557 8.359 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(I)c(Cl)c1 1950208335 QDGGCMKDRKPFDM-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=C(C#N)c1nc(O)c2cc(I)ccc2n1 2053622869 SBZRMUYJLDSZBJ-UHFFFAOYSA-N 513.726 5.152 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCC[C@H]21 2085494390 LOLAZLZTNOBEOX-FITKCZHHSA-N 522.300 7.063 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cc(I)sn3)c1)OCCC2 2120033149 QZFVXKCJSRKZHC-LBPRGKRZSA-N 515.008 5.320 50 10 KKGE CCCC(CCC)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478360 XOUXNDNIEAXZPP-AWEZNQCLSA-N 540.359 8.233 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@]12CCCOC2 2206397554 KNEFOGMGMIXEHE-HNWMMTHTSA-N 552.326 6.833 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC[C@H]3C[C@H]2CO3)c1Br 2206400663 RYHQUGMIFLCIGG-QZOVBDONSA-N 596.777 6.988 50 10 KKGE CN(C(=O)c1ccc(Br)cc1I)[C@H]1CCCCC[C@H]1Br 2207272816 PNXBKNISRLOJEY-OCCSQVGLSA-N 515.027 5.222 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)s1 2224784484 XFEZUXABLLYHRN-SNVBAGLBSA-N 553.961 7.118 50 10 KKGE Cc1ccc([C@H](C)[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 2232088855 XZRHNLINOUXPSP-KWQFWETISA-N 531.933 7.584 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1F 2283567988 ILACEGYFNBTXDO-AWEZNQCLSA-N 532.416 6.947 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198251 NHWYMNJKXSZNCU-QHCPKHFHSA-N 597.332 6.585 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198294 RKEREHWXUBQHMR-DEOSSOPVSA-N 522.457 6.045 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Br)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198327 UYKSCTSDQWCXNM-VWLOTQADSA-N 546.490 5.543 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCOC(=O)COCC(=O)O)C[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819132 LWCXCQDTDVSQAT-KOZOPWEXSA-N 817.354 12.690 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1cccc2ccccc12 2313511151 QLMMIRYZWSVLSR-UHFFFAOYSA-N 566.439 6.388 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1 2313521333 HFEDRVJMQXGNNH-UHFFFAOYSA-N 572.830 6.695 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Cl)c1 2313567555 LSTRHAJOXBDHKG-UHFFFAOYSA-N 506.433 6.137 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313570736 FDLYQDKNOQUJPX-UHFFFAOYSA-N 576.230 6.587 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 2314414660 HZFYMXXNFGJBBA-UHFFFAOYSA-N 570.045 7.249 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1C 2314486413 DTIAEPPILJDKRT-IBGZPJMESA-N 500.683 7.797 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592036 KKATYGKZKIBIFR-RUZDIDTESA-N 552.483 6.684 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593324 LFQWMIWTRSOLCQ-HFJWLAOPSA-N 584.063 7.225 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314593942 WGMUGUOQGRBKBA-CCLHPLFOSA-N 511.647 5.561 50 10 KKGE COc1cc(C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617915 CZBHQVBEYNPQFH-HXUWFJFHSA-N 527.404 5.352 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314619753 DWSOUVSGLXEMNT-UHFFFAOYSA-N 544.998 6.731 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCC(C)C 2314647020 ZJCSDHYFGJDXEA-SSEXGKCCSA-N 646.769 5.799 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314737235 SWZAMPUYDUIVSJ-UHFFFAOYSA-N 597.465 6.332 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 2314772536 FHWUNGBVICPMFU-UHFFFAOYSA-N 581.463 6.162 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2316726094 MKFGGJHBXXZSBC-ZETCQYMHSA-N 521.898 5.870 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)OCCOc2ccccc2)c1C 2329622308 KVYUYSMYEDOWAO-UHFFFAOYSA-N 534.590 5.023 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2C[C@H]2C2CC2)c1Br 2333303760 SHKOASWMEIFOLN-CIUDSAMLSA-N 580.778 7.609 50 10 KKGE BrCC1(COCc2ccc(I)c(Br)c2)CCCCC1 2350076588 IAGVJHRBXSTHJM-UHFFFAOYSA-N 502.028 5.916 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Cl)ccc1I 2360427291 SZORZSRMRSJAGG-NSHDSACASA-N 573.252 7.637 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(I)c(Br)c1 2377286924 MTVPMNUDXIEUGV-UHFFFAOYSA-N 595.294 6.897 50 10 KKGE Clc1ccc(I)cc1CO[C@H](CI)c1ccc(Br)cc1 2380353516 MFQRCDBSJYSMLC-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC1CCCCC1 33380620 UNSYMKUMHWHVBO-PLRJNAJWSA-N 520.608 6.613 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 34378536 YETCTZWCEFDZQW-UJZYUHLBSA-N 509.675 6.711 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NC[C@@H]1CCCO1 35445986 ISGLYYJEJRKLIA-NPHLBUJTSA-N 504.590 5.320 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38660728 YVSOHZMHCPEWOL-QFIPXVFZSA-N 511.759 5.548 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38684377 OIJKWIVMCJPXAL-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38687363 LNJJIYKJVQDGND-QHCPKHFHSA-N 502.979 6.309 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 40811500 NURZZGXPUDSRON-MUGXBBEHSA-N 505.618 6.209 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813482 VSUPRQGMYVYMME-RDRPBHBLSA-N 518.913 5.387 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100235897 KFZFLMRNAWYDEI-GADSPAKWSA-N 595.490 5.848 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 100236830 WNCYHNMHGMMEQU-ZZJXEYPFSA-N 535.855 6.588 50 10 KKGE COc1ccc(CCN/C(N)=C(C#N)/C=C2/C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1OC 100309650 AIRJHXTXYIVGSD-WAZNQUDBSA-N 535.431 5.598 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1 100453206 KRRLFPNJRYWRLM-HGNFKBFPSA-N 564.423 5.987 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C/C3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2ccc(Br)cc2)cc1 100919856 QGOFITZDPLJXSH-GXDFBKAQSA-N 568.496 7.905 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccccc2)cc1 100919893 BVAZNSKIYGGUQM-HAVVHWLPSA-N 566.664 6.342 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101340495 KOMFPJAFPJVYBR-STBIYBPSSA-N 560.629 6.567 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)ccc1Cl 101363582 HSCXWGFIPDWFDO-DEOSSOPVSA-N 525.786 5.614 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1 101368942 IQUFNEVITQGLOD-MHZLTWQESA-N 563.448 6.464 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCC(C)C 101374436 AVBXZEUORGRFKN-SANMLTNESA-N 549.967 5.729 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 101374470 PFFHQKKGHYWPRD-PMERELPUSA-N 563.050 6.510 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1F 101389093 GRYBAVDWUXCMCI-UUWRZZSWSA-N 594.639 6.623 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)oc2ccc(Cl)cc12 101390935 YKLKFVWOWSPTKU-PMERELPUSA-N 563.009 7.411 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399484 IOGQJYRDIWXIRW-YTTGMZPUSA-N 590.607 7.214 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743146 FBSUKAISYXNKLX-ABPPERTMSA-N 522.457 6.045 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 110553497 QZEUGMCIEJFMDX-NHFJDJAPSA-N 540.623 7.063 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 150484875 OLHNDPGRJCNMSQ-HKBQPEDESA-N 639.576 8.577 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 214333289 GHBFGCOHJAPXSM-FIOJILPZSA-N 529.556 5.801 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530914 DSFGYHDOOABSRG-BFRUUJNVSA-N 672.222 5.917 50 10 KKGE biogenic O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 254287729 CUHHBQMYSIOIIL-UHFFFAOYSA-N 512.478 5.491 50 10 KKGE C/C(C=NNC(=O)CNc1ccc2ccccc2c1)=C/c1ccc(/C=C(/C)C=NNC(=O)CNc2ccc3ccccc3c2)cc1 254344398 WVJVLISWSYZUSQ-WYVWBJMSSA-N 608.746 7.228 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)Cc2cccc3ccccc23)cc1 254825038 WZBKGKGUCXLAHP-UHFFFAOYSA-N 502.570 6.304 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)sc2c1CC[C@H](C)C2 254872316 RWMSDXXXMIPYOZ-FQEVSTJZSA-N 597.693 5.819 50 10 KKGE Cn1ncc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1I 379229470 YQZMSJGWSFXAOX-ZCFIWIBFSA-N 529.945 5.352 50 10 KKGE CCCOc1c2cc(NC(=O)CCl)cc1Cc1cc(NC(=O)CCl)cc(c1OCCC)Cc1cc(NC(=O)CCl)cc(c1OCCC)Cc1cc(NC(=O)CCl)cc(c1OCCC)C2 409422171 WOIGNYJRPAUQIA-UHFFFAOYSA-N 958.808 10.228 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]12C)C3(C)C 1083816043 LKHIBBPOJARUFY-YJNUGASQSA-N 968.182 6.765 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(OCC)c2)cc1 1083889629 BISKTLJZDUKXKN-RUZDIDTESA-N 602.469 5.632 50 10 KKGE C#CCOc1ccc(C=NNC(=O)c2ccc(OCCCCCCCCCC)cc2)cc1Br 1083900692 JEGVXLLRPGSQSB-UHFFFAOYSA-N 513.476 6.745 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2cc(Cl)ccc2OC)cc1OC 1084141213 CCZZKWKYIJTYIB-UHFFFAOYSA-N 629.110 5.258 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OC(C)C 1084143362 LUKJOZVBRRLTDM-UHFFFAOYSA-N 531.188 5.004 50 10 KKGE CCOC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OCC)nn2-c2ccccc2[N+](=O)[O-])s1 1084308071 LFKBPLFTKFTZJT-UHFFFAOYSA-N 802.898 7.615 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(Br)cc1 1084346184 WSVIQJLACQHBAJ-UHFFFAOYSA-N 558.310 7.086 50 10 KKGE CC(C)Oc1c(I)cc(C=NNC(=O)c2ccccc2Br)cc1I 1084496474 CCIHLCUISHFSGQ-UHFFFAOYSA-N 613.031 5.209 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1084503361 CEQQNTQDOXDRRG-UHFFFAOYSA-N 564.455 6.082 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2Nc2ccc(F)cc2)cc1Cl 1084536109 YBVLBONSPOXRSD-UHFFFAOYSA-N 503.759 5.382 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)C)ccc1OCc1c(Cl)cccc1Cl 1772753656 ADERSPYTQSOHJJ-UHFFFAOYSA-N 501.410 6.234 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2c(Br)nc3c2NC(=N)N[C@H]3OCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C 1848436101 WZONGDXIZTUQFZ-FFHOAYQKSA-N 666.810 7.511 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)c1O 1865695692 GMHAFAGFYQHKCF-QFIPXVFZSA-N 563.839 5.947 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865695790 TUDRSHQMZUGZMP-PMERELPUSA-N 540.623 6.654 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695817 UMAGTDYRUHPOKR-NDEPHWFRSA-N 525.052 6.561 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)c1O 1865695832 HTVLAIUJVRMQCS-GOSISDBHSA-N 549.347 5.262 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701448 VXKBJMHWMITPRJ-GOSISDBHSA-N 550.638 5.342 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701479 WLVFTTKPEADRGK-XMMPIXPASA-N 528.996 5.496 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865701729 CXYWHWKYZXZHKE-MHZLTWQESA-N 505.622 5.921 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865702142 NTNYYJJZGVSJBM-AREMUKBSSA-N 510.041 6.316 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704276 RQXSCXMHCADWFR-PMERELPUSA-N 516.576 6.329 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704702 CEPXATJICWBLMJ-NRFANRHFSA-N 571.342 6.635 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865706172 PJLMTPAYLDMMQE-KRWDZBQOSA-N 511.287 5.189 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706517 YHPQMYSXZHWSNJ-SANMLTNESA-N 527.024 6.202 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709569 CZHDJFUPFDCWAV-VWLOTQADSA-N 571.977 5.158 50 10 KKGE C[C@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865889602 NDFSRTSBWOYVLF-SSDOTTSWSA-N 854.971 5.301 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866663863 KXYGCDPLPOWRLL-RUZDIDTESA-N 517.010 5.915 50 10 KKGE CC[C@](C)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866850058 ITDXXVFAVLCKKK-QHCPKHFHSA-N 512.433 5.054 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)nc(Cc3ccccc3)n2)cc1 1868208167 UNYWFDYHJOQFBF-RUZDIDTESA-N 512.082 7.249 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868387810 AIBIMCZSMCDWKQ-NDEPHWFRSA-N 505.691 7.482 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868456468 PLRPQOIUDJZFOJ-YTTGMZPUSA-N 559.670 7.760 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3Cl)nc(O)c2cc1OC 1872727446 BHFNPWYBUPBMOG-RQZCQDPDSA-N 508.361 6.303 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(OC)c1OC 1872795314 YSHXZPFBGUCEBI-XSFVSMFZSA-N 519.022 7.132 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Cl 1922894922 PRPWBJRQZPCMMJ-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923054301 CWWHQQKBBDBHPV-SSDOTTSWSA-N 511.863 7.351 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(CCC3)C2)c1Br 1924607965 BKRAPBZMTPHVBO-MRVPVSSYSA-N 507.911 7.052 50 10 KKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924614297 XHIVWGADWYIFAD-LKXGYXEUSA-N 511.899 6.285 50 10 KKGE CC(C)(CC(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 2015996281 BVJHEFACYILFLU-SSDOTTSWSA-N 519.869 7.153 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2033084330 OGHBLVYRDODRFZ-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2csc(Br)c2Br)c1Br 2093942171 MBBJJTZQSGWXMI-RXMQYKEDSA-N 563.878 7.600 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC[C@@H]2CCCO2)c1Br 2141471041 NJXVZDONIHAACY-YUMQZZPRSA-N 584.766 7.132 50 10 KKGE COC[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206396332 VOBGYEAQPOBWST-STQMWFEESA-N 556.314 6.212 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 2226587596 ZDXKHIJJRFKVLU-QMMMGPOBSA-N 515.826 7.295 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1ccc(Br)cc1I 2229143413 ZYMGMGFYRZPBKV-CYBMUJFWSA-N 534.844 6.992 50 10 KKGE CN(CCCCCn1c(CCl)nc2cc(Br)c(Br)cc21)Cc1ccccc1 2234076220 UDPSZVPJHRYCSA-UHFFFAOYSA-N 513.705 6.602 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Cl)cc1Br 2282907336 NCOSMVYCZZLQDJ-CYBMUJFWSA-N 554.248 7.390 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2286462664 OJWYTKQUSQTNSY-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE N#CC(=Cc1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cccc(I)c1 2295178648 JHFCROGPIFYMFS-UHFFFAOYSA-N 544.348 6.209 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)sc(C)c1C 2295274510 LHOICGZXOMKCMR-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295276526 HBNYJEJQNKBIBD-ZDUSSCGKSA-N 546.322 7.615 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C(=O)OC)c1C 2296790111 PGIAKINNFXUXAG-UHFFFAOYSA-N 532.441 5.882 50 10 KKGE C[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1 2297458885 MHNBABDBYLZMOL-GFCCVEGCSA-N 500.407 6.084 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1ccccc1 2313510972 HAUMULBCRKATBA-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556500 BBTARZUEPOMJFS-UHFFFAOYSA-N 597.456 6.771 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)sc2c1CCCC2 2313630808 UVQVFSYZBMASCQ-UHFFFAOYSA-N 521.038 6.582 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCCCn1ccnc1 2314414609 GBGIXIUIDSZGOQ-UHFFFAOYSA-N 546.606 5.567 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591913 HPGUFRLYWVQSLI-HSZRJFAPSA-N 524.429 6.067 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593136 HZLABPFQGLRZFV-FQRUVTKNSA-N 560.517 6.370 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314617412 XVTGUCDDUXDFAL-UHFFFAOYSA-N 562.714 7.198 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 2314634040 FKZHOZDPSJXQEZ-XMMPIXPASA-N 508.317 5.739 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640712 PWLWCWACNDYPNU-HKBQPEDESA-N 603.889 8.063 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2314643320 QEPXBAVEMVMVRV-MGBGTMOVSA-N 595.051 6.773 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646919 UPTDRGDTWOHIPA-SSEXGKCCSA-N 646.769 5.881 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)cc5)cs4)cc3C2=O)cc1 2331342824 ZSAMPCDYBVMMBJ-UHFFFAOYSA-N 511.534 5.704 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)ccc1Cl 2362226541 ZWFYOXYGKKNBMZ-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Fc1ccccc1[C@H](CBr)OCc1ccc(I)c(Br)c1 2377595292 NUEPDNHTVVAACH-HNNXBMFYSA-N 513.970 5.846 50 10 KKGE CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(C(C)(C)C)c1O 6075298 KSHZUWCUVAIMRI-DHDCSXOGSA-N 500.393 6.204 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1CN1CCN(c2ccc(F)cc2)CC1 20615791 OSMOFHMRHGPVGL-OKCVXOCRSA-N 515.416 5.227 50 10 KKGE COc1ccc(C(=O)c2ccc(/C(C#N)=C/c3cccn3-c3ncc(C(F)(F)F)cc3Cl)s2)cc1 33423206 ZROWFCHLZBVPFG-LFIBNONCSA-N 513.928 6.910 50 10 KKGE N#C/C(=C/c1ccc(OCC(=O)c2ccc(F)cc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 33470775 UDKOMIZBQSVHMH-BKUYFWCQSA-N 508.530 6.381 50 10 KKGE C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 34719931 GYVDMLBQBBMPNT-QJOMJCCJSA-N 517.423 6.490 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2OC)cc1 38656990 CUGPJDGZTWKZCE-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38685080 QLSBPMQLWJXJOV-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)CC1 38688726 URIDREUDCRLWSC-DVZOKEKYSA-N 504.627 6.214 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38700855 BZKGOOQSKRFDRG-QFIPXVFZSA-N 516.962 5.779 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2OC)cc1OC 40970764 PZHXFNGLLDLXOT-KCNFRUOZSA-N 534.653 6.105 50 10 KKGE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 59680049 NEUBFUJEBDXCDM-ZCTHSVRISA-N 520.545 6.393 50 10 KKGE CC[C@@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100137573 AEUAJKKLJOWETK-LJQANCHMSA-N 550.247 5.057 50 10 KKGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(OCc2ccccc2)cc1 100207569 WPSJZNBMXURBFF-UHFFFAOYSA-N 604.526 5.599 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 100228192 MVKUVOYIKSEYMT-TYNJROEQSA-N 558.416 5.233 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1C#N 100231837 YPOBPDQCZMRMPB-GMOKZYNCSA-N 536.426 5.262 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 100231919 LCAICCOMUHGKEF-KPHTWCJLSA-N 561.476 6.544 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 100420890 XBUCPEWTASHLPJ-OAHLLOKOSA-N 526.269 5.048 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 100553993 RYMUPAJTFGODAP-KBVAKVRCSA-N 562.851 6.698 50 10 KKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034232 UPLRMINOOSHXBE-SFQUDFHCSA-N 541.415 8.701 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101293396 BQVGZPRQDIHMTE-JGCGQSQUSA-N 560.606 6.276 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101295753 XUFHLXUNQBCCBP-DEOSSOPVSA-N 523.372 6.004 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101337119 FWYYIUHPAGODGW-RZZUAFPKSA-N 504.546 5.057 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc(C)c1Cl 101369394 HRAFWFOQINOGPR-SSEXGKCCSA-N 553.014 6.952 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101374885 HHHVHAYCOLRFRG-SSEXGKCCSA-N 563.050 6.366 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC 101375450 AXORMKZYUQEWEI-UKPGIYTDSA-N 574.649 6.775 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379843 JCYGCUCPFOQIFQ-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1Cl 101385579 SRMUPGGOYLQEPD-LJAQVGFWSA-N 617.883 7.127 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387532 QCWOKADZIVDZPY-HHHXNRCGSA-N 563.393 6.611 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101390347 OEQIVSAWZQTJHT-NRFANRHFSA-N 557.842 7.307 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101395544 QTAJGSCJGMHMLN-GDLZYMKVSA-N 611.522 7.653 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405907 LQUNLPPNHYDQQE-OHYDGAEDSA-N 620.756 5.568 50 10 KKGE COc1ccccc1N1CCN(c2ccc(NC(=O)CCCCl)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 103127094 VRUNQEZGZKYBRN-QFIPXVFZSA-N 571.143 5.019 50 10 KKGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 103730576 YKWRJUQCTPPYLY-VUTHCHCSSA-N 582.724 5.439 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2cc(Br)ccc2o1 103877367 CMIPCEMTLALMMW-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)sc2Br)c1 104027137 DBFPPYGMMSYBEJ-JTQLQIEISA-N 507.842 6.659 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2OC(=O)c2ccc(Cl)cc2)cc1 105063664 WZKNTMGMMCSCMX-XZYGTATASA-N 589.475 7.493 50 10 KKGE O=C(Nc1ccccc1Oc1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)N(c1ccc(/N=N\c3ccccc3)cc1)C2=O 105439432 XILNNNVNFXHZOP-DTTHWBISSA-N 608.566 7.258 50 10 KKGE CC[C@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 163052882 NLALBNWBZIFZPQ-ZETCQYMHSA-N 502.830 5.401 50 10 KKGE C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164632875 QBZUQPSKPBPTGN-FDAWAROLSA-N 687.319 6.991 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1 164640344 ISZWWMNMNCWEMN-XAZZYMPDSA-N 751.156 7.901 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1 195813597 AFDGXIKNRXDUSK-GTWBOMCUSA-N 733.938 7.162 50 10 KKGE biogenic C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)C=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 199612013 CBBPZOZLUNXNDK-VAOJJOGSSA-N 573.023 10.021 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/C(=O)N([C@@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)oc12 205778245 KGMDNFHSJBQIMU-RBABYGSYSA-N 630.682 5.211 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1C 206509065 GQQMFVBSXOWVIG-GGLJQSRLSA-N 578.621 6.026 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cccc(C)c1I 233779210 ODBSBXSCFCINDI-HNNXBMFYSA-N 510.007 6.245 50 10 KKGE Cc1ccc(NCc2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 254302078 VJKDYHROHVVLRR-UHFFFAOYSA-N 522.634 5.289 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)c3cc(C)ccc3n2)cc1 254391315 UOJYQXKTLVEWAZ-UHFFFAOYSA-N 586.692 7.196 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3cccc(C(F)(F)F)c3)n2-c2ccc(OC)cc2)cc1 254527310 IMMWXGYYMWWPPG-UHFFFAOYSA-N 569.609 5.993 50 10 KKGE CCOc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2-c2ccccc2)cc1 254762997 FUNGEFZFTIKJHA-UHFFFAOYSA-N 702.858 11.099 50 10 KKGE N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1=O 254874185 KUNZIYFWTOXFCD-UHFFFAOYSA-N 610.077 6.105 50 10 KKGE BrP1(Br)=NP(Br)(Br)=NP(Br)(Br)=NP(Br)(Br)=N1 267326096 HABRDKLLQLBQOF-UHFFFAOYSA-N 819.156 10.944 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1 380087898 KLUUACAOIDMUKP-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2ccc(I)cc2)C1 382688998 OVFYERZUCAQVIS-AEFFLSMTSA-N 500.174 5.038 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)c1 721592315 GPZAKBPVZSCUTC-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE Fc1cccc([C@@H](Cl)c2cc(Br)sc2Br)c1I 721671110 DATJRTGINAHQEM-SECBINFHSA-N 510.391 6.345 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1083863516 CCFRSSVRNUCVOW-UHFFFAOYSA-N 564.392 6.184 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(O)cc1 1083902036 TVJZPWOQCUMEGC-UHFFFAOYSA-N 502.530 6.189 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 1083915887 SBUYDVIDXRGNQC-UHFFFAOYSA-N 613.965 5.851 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084010483 BGMXZMYRSIIBPX-UHFFFAOYSA-N 555.020 5.496 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C)cc1 1084151309 AMUIGCYVGDZGLM-KOEQRZSOSA-N 560.492 5.991 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 1084328003 YCBGSHOGUFGYQF-UHFFFAOYSA-N 563.035 5.716 50 10 KKGE O=C(Cc1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084390048 PRHAYSOLCRGVMG-UHFFFAOYSA-N 500.558 6.412 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)o1 1084482653 JKJGJBVCKITUEP-UHFFFAOYSA-N 587.105 6.256 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 1084527149 CNDQFWRAXLCOKU-UHFFFAOYSA-N 661.369 8.460 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])cc(Br)c1O 1565517581 PCFYZPJFIVVCIZ-UHFFFAOYSA-N 536.423 5.314 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@H](OC(=O)C[C@H](C)CC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565536474 VKBCMZKYIQGGGT-GDIOBVFJSA-N 644.617 10.635 50 10 KKGE CC(=O)NC[C@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@H]1C 1614465078 KGBSGBJFEOXATN-PHLGDVRWSA-N 623.616 6.746 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742944 DXSDJKWBKYBJEY-HVHGQGTFSA-N 566.510 6.696 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2 1772743955 MEKVQAJVVZSELF-UHFFFAOYSA-N 524.326 6.636 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865682310 LSPTWRRPRZHBSC-IBGZPJMESA-N 521.370 6.773 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865696509 OMGKHDPVSPWBOT-QFIPXVFZSA-N 530.522 5.885 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865697118 NLVDZXHFALBQBT-HHHXNRCGSA-N 522.605 5.954 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703716 CWCIIOZWPSSCIC-GDLZYMKVSA-N 513.601 6.170 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703787 FTBIXXUWSBLZFE-LJAQVGFWSA-N 533.031 7.038 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711520 AOFUWGFAGCQCAT-PMERELPUSA-N 540.623 6.654 50 10 KKGE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866788001 LSRMFSYMCMCATP-SANMLTNESA-N 503.643 6.131 50 10 KKGE Cc1cc2cc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1866918127 NXKIKDKLVUUBHZ-SANMLTNESA-N 542.686 5.421 50 10 KKGE CC[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866948992 IQEKXBQBCMJIOV-JWQCQUIFSA-N 524.111 6.464 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(I)c(Br)c1 1924050776 DEIMDELOSSCYED-CLAHSXSESA-N 559.865 6.451 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595351 XYJRYBFTRJEFFM-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE CCC[C@H](CCC[C@H](O[Si](C)(C)C)[C@H](CCCCC=C[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C)O[Si](C)(C)C 1933278081 JYEGXNRWPXAYNW-VABIIVNOSA-N 750.448 10.310 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)c(Br)s1 1951019179 MJCUHTKZQNTTRS-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCC[C@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780066 OMRYVOTZBBUOMZ-WKEGUHRASA-N 556.756 7.609 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2026222261 WKWIPBPTSGPTHY-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)cc1Br 2032958577 HJKBFNFTJLFBQO-JTQLQIEISA-N 519.878 6.529 50 10 KKGE Cc1ccc([C@@]2(C(F)(F)F)NC(=C(C#N)c3ccccn3)O[C@H]2C(=O)c2ccc(Br)cc2)cc1 2042449341 AEPPTCQQDBSTRG-LADGPHEKSA-N 528.328 5.674 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cnn(C)c1I 2082378493 AKFLCJYIIASXCA-NSHDSACASA-N 504.391 5.233 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCOC2)c1Br 2085495547 RJTYODXBSCQGCH-NKWVEPMBSA-N 570.739 6.599 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3CCC[C@H]32)c1Br 2085496316 VVWLVSSDPJEXAC-YGDJMMPJSA-N 566.751 7.219 50 10 KKGE C[C@@H]1CCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496612 XFJJNNBMLNLALE-AMXGMDGSSA-N 568.767 7.609 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23CCC(CC2)O3)c1Br 2141473095 LAHKDAHLVZZVAW-SKPUXYCPSA-N 582.750 6.884 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2203001880 NEGJFEBNIIEZJH-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE CCc1nc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2206398462 VHLWYWKDHKMYGN-SNVBAGLBSA-N 676.686 8.002 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400579 RLHDTDANKUEXCB-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE Cl[C@H](CC[C@H]1CCCCO1)c1c(Br)c(Br)cc(Br)c1Br 2206406391 YZZKBUWREQNKNE-LDYMZIIASA-N 554.342 7.366 50 10 KKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273249 SLWLDXPQRQHGGN-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cccc(F)c2I)cc1C 2236018071 UMLQRGKOKLGAMT-CQSZACIVSA-N 513.970 5.994 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(C)ccc2I)c(Br)c1 2241002769 XCWSHUIUBHGHNP-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cscc2Br)c1 2252838179 AJTOLPQUYKDJIN-NSHDSACASA-N 503.879 6.714 50 10 KKGE COc1ccc([C@@H](Br)c2c(F)cccc2I)c(Br)c1Cl 2283546704 HXPMWMHJEBCLNP-GFCCVEGCSA-N 534.388 6.339 50 10 KKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(Br)ccc1I 2288056714 BGJWVSQTKBGDID-SNVBAGLBSA-N 517.043 5.325 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2OC)c1C 2296144704 CILGQPWOQQFYJM-UHFFFAOYSA-N 550.687 6.656 50 10 KKGE C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=NNC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 2297736739 VXLVRWWWBQOCCJ-MNPSLQJCSA-N 541.605 5.868 50 10 KKGE Clc1ccc([C@H](Br)c2sc(Cl)cc2I)c(I)c1 2301798634 MKSVXUQUGPYVLU-JTQLQIEISA-N 573.846 6.748 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 2313571281 RJIJGLJAAWRDGD-UHFFFAOYSA-N 586.269 7.338 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1 2313571458 WUXUDPZMHYKEEN-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593566 PHNNLZAEMWVCRT-CJAUYULYSA-N 501.583 5.138 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593613 PXTWCPOENNCANB-RUZDIDTESA-N 536.484 6.298 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314619724 DAXOUJZOZDPPPQ-UHFFFAOYSA-N 587.456 5.143 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314619805 FOHWOIPENPVLKJ-UHFFFAOYSA-N 513.377 5.118 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646833 QFZOXLQJTNKEHM-NDEPHWFRSA-N 616.699 5.021 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)n1 2331322997 RCTBPKZMZJRZPI-UHFFFAOYSA-N 521.598 6.494 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1C(C)C 2331463460 LCGUOOPKRLGEEQ-UHFFFAOYSA-N 515.078 8.547 50 10 KKGE C=CCOC(=O)NCCCC[C@@H](C(N)=O)N(C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333248772 ZFWAEVQMHYNGJL-ZWXJPIIXSA-N 747.802 5.716 50 10 KKGE Cn1ncc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2335371992 RMEQIAMDEATZSG-MRVPVSSYSA-N 542.799 5.717 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337086696 OXKUBNOQZKFUCO-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2358264593 OREKFRWSFZPTJW-LYOWATAYSA-N 550.310 6.440 50 10 KKGE Clc1ccc(I)cc1CO[C@@H](CBr)c1ccccc1Br 2380353308 JYSCIENGGYPPPN-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1scc(Br)c1Cl 2380951221 FKZURSVLCHSKSF-CYBMUJFWSA-N 501.509 7.843 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888250 WIAUFTLDPSQHOL-GUNDDFSMSA-N 532.463 6.131 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 14645673 VDJGUSGGNNTJGW-UHFFFAOYSA-N 530.463 5.468 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 14668224 AYHFLTHKWSHKSR-UHFFFAOYSA-N 530.463 5.105 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(Br)ccc1O 20572864 GDOWNNFPTJWXHD-SZMVHAFZSA-N 506.194 5.378 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@H]3CCCO3)cc2)cc1 33378988 XXQPTYOHFQMJAV-AYMIJMNYSA-N 518.617 5.629 50 10 KKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33568596 LMXICJNSUFDLPW-PLRJNAJWSA-N 511.541 6.660 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 34878430 YLCJIZZSBXKRFP-AYLNWMBDSA-N 513.402 6.345 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 38686157 PVLWXOFFUTWVKQ-PMERELPUSA-N 504.586 6.846 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 38688225 XVGKQORSDWRVHV-OAQYLSRUSA-N 512.305 5.348 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59147201 YWXXZWHAQZCKHP-ZXPTYKNPSA-N 523.464 6.301 50 10 KKGE Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 59304634 VVXZCYVQJGLHJQ-BIZUNTBRSA-N 503.558 6.483 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1 100154342 APHGJYHSRABTGC-UHFFFAOYSA-N 519.667 5.417 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 100238613 ZRNLNPMWWSIIOR-VJRIHLSISA-N 561.635 5.664 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1 100452628 ACXYYJHBAPMEFD-RJNBOEKGSA-N 593.259 5.597 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)[C@@H]2Br 100848655 ZNFSLFRPYWKBJD-RLCCDNCMSA-N 558.934 6.073 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]2Br 100869389 CVOSYGWIRJNZNL-RLCCDNCMSA-N 525.035 5.219 50 10 KKGE CCOc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100869390 BKMVREYXIDRRGP-DOPJRALCSA-N 524.091 5.710 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101332837 OWRSUGOQDSJKMY-RDRPBHBLSA-N 563.057 6.774 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 101333020 VVNKVRKSZWTNBY-ZXVVBBHZSA-N 508.622 6.111 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 101369434 JYBQOIUGUIAQKE-SSEXGKCCSA-N 538.987 6.643 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383143 QGLGIHPGVXESJB-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384183 VQIYOFFLWWKFOP-CQCQKMNVSA-N 574.652 7.539 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385747 PYZCOJHSIINMON-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101387614 KEMLODHOMLKBQI-HKBQPEDESA-N 532.596 6.410 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389782 RGLCATPSGZNSAL-HKBQPEDESA-N 617.485 7.417 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101392517 ZYDSYRTVXMPHQZ-HSZRJFAPSA-N 553.423 6.663 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396598 GXHXNPSTPOTFKC-NDEPHWFRSA-N 587.470 7.510 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 101620491 NQAYYLMGSKJFFA-GZZLJNBRSA-N 541.604 5.779 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 101633068 HUVFLYLOFZETGG-UNMCWVBBSA-N 575.684 7.218 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 102665803 ABFFFRVBNOEEKX-VECHRTTRSA-N 532.021 5.582 50 10 KKGE COc1cccc(N/C(SCc2ccccc2C)=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 105423046 UEMFELLWVKXLLX-GNVQSUKOSA-N 517.651 5.460 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccs4)c(NC(=O)c4ccco4)s3)o2)cc1 109557052 UKPIFEAHGDIIFC-CYVLTUHYSA-N 541.610 7.218 50 10 KKGE c1ccc(P(c2ccccc2)[C@H]2CCC[C@H]2[C@H]2CCC[C@H]2P(c2ccccc2)c2ccccc2)cc1 115811098 UKCDADXCAXXBGR-WKKVWOBLSA-N 506.610 7.590 50 10 KKGE in-vitro CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150443370 GIYAGRHJZWWDRY-SSEXGKCCSA-N 661.538 8.762 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c1 159831334 HMWWTJJZSJXPGQ-CYBMUJFWSA-N 507.369 7.321 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 229785622 CEKAVJKMBDFHIL-SDQNTSPESA-N 513.233 5.302 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 251398194 LMCNYCSDWPLKPZ-QWGKTMRZSA-N 505.227 9.203 50 10 KKGE biogenic O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 252590882 AWQBUEPRFWPCNP-UHFFFAOYSA-N 561.498 6.582 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(C)c2O)cc1 252619636 LRQJCKIBNREKQO-IQQPTTPSSA-N 596.469 5.073 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 253387346 HXHZBDGHMVVORA-IQGMZPRTSA-N 544.893 8.526 50 10 KKGE CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 253534606 UISXOAJBTYXLPL-CUOWLGQYSA-N 633.701 6.787 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OCC)c2)cc1 254739971 GUBLFKRHFJSPNX-UHFFFAOYSA-N 548.636 5.801 50 10 KKGE Cc1cc(C)c([C@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 312706179 DNHCCNRCXHBUKA-MRXNPFEDSA-N 528.453 7.070 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Br)cc(Br)c2)c1Br 380300004 GDTAUGSIHQSJFT-JTQLQIEISA-N 513.398 7.383 50 10 KKGE CCCC(C)(C)OOC(C)(C)C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 504052329 MQGVLLQFFLTSOQ-RKKDEWCLSA-N 558.800 7.572 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1cc(Br)cc2c1OCCC2 688412401 OYHYHGSMEINFEZ-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)NN1CCN(Cc2ccccc2)CC1)c1cccs1 725238270 GHFNSNXOIAKHIO-WJOKGBTCSA-N 589.161 6.011 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 725240213 QBQILPGPOHKOEN-YJQPMANSSA-N 538.257 8.458 50 10 KKGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(Br)c1 1084020148 MQILFEBEFDCCPB-UHFFFAOYSA-N 569.308 5.800 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084032456 TVBAWSIKQZOTDK-AREMUKBSSA-N 627.479 5.503 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1084338837 KWHRQJVSOUIWET-UHFFFAOYSA-N 520.438 5.128 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1Cl 1084412933 RZOAUGDBKOEGRB-WOJGMQOQSA-N 593.248 7.121 50 10 KKGE COc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084437627 LSCLMNJTKOVLSK-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1 1084566608 HVDVKTVFXGGHOK-UHFFFAOYSA-N 637.122 7.072 50 10 KKGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3[N+](=O)[O-])c2)cc(OC)c1OC 1565517655 YVNZTXMOMIBNLE-UHFFFAOYSA-N 621.687 6.083 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=C1CCCc2c1no[n+]2[O-] 1565517679 NODPERBQXWHTSA-HSZRJFAPSA-N 686.340 5.048 50 10 KKGE C/C(=N\NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525907 HLQHMAMMFYZHNL-CBIKYOJTSA-N 772.971 8.736 50 10 KKGE N=C(O)OCCOC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1615943896 JNCLMSZNPLOAMT-YFKPBYRVSA-N 691.116 6.715 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](OC(=O)[C@H]4OC(c5ccccc5)=N[C@@H]4c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 1857787863 ZAXCJOQYACAQIY-HLCNNAFQSA-N 950.167 7.820 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865687718 YSCKGPLTNLFAND-PMERELPUSA-N 558.613 6.543 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689151 LGTIVBYTPQMHON-SANMLTNESA-N 545.014 6.406 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865691291 OOQRVDRDNVDLCR-XMMPIXPASA-N 534.538 6.450 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccc(C)cc3)cc2)cc1 1865692940 JZPQODWPLVVRQN-WJOKGBTCSA-N 538.651 7.012 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccccc1 1865693355 IYXOSAYKEXSYPX-DEOSSOPVSA-N 532.522 6.087 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865696391 FRLUJTYIPLIWNF-QHCPKHFHSA-N 577.866 6.581 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)cc(Br)c2O)cc1 1865701425 VMFWMPSGJSFCFW-OAQYLSRUSA-N 578.264 6.297 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702571 BPFHMEYCBBPFMY-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702693 ZKQMVQOEIHBURI-HXUWFJFHSA-N 501.787 5.657 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705337 SQKJFGVIXHDRET-MHZLTWQESA-N 555.034 5.983 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1OCc1cccc(C)c1 1865706113 NWIFENYNNUZICM-XMMPIXPASA-N 546.549 6.314 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709728 FMHCZFHEVMHOSX-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE CC[C@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866933122 ZHOQJXGZDNNPMW-QHCPKHFHSA-N 521.017 6.277 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867183402 MPNSJUNCKQRPOM-GDLZYMKVSA-N 584.767 6.946 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4Cl)cc3n2)c2ccccc2)cc1 1867201117 WWEDXMLESOVECY-GDLZYMKVSA-N 579.085 6.610 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868388882 NQONLICYZQVSIS-UHFFFAOYSA-N 507.107 6.154 50 10 KKGE Cn1cc([C@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc21 1868456694 TXTYUXVUTAZQGJ-NDEPHWFRSA-N 549.635 5.769 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922883418 OSEJVDXTLYEPIP-NSHDSACASA-N 533.905 6.837 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923074581 ONBUGSMXTMTXJU-RXMQYKEDSA-N 545.341 6.938 50 10 KKGE Cl[C@@H](c1occc1Br)c1c(Br)sc(Br)c1Br 1924609077 RSWRILSWOBMEJL-ZCFIWIBFSA-N 514.258 6.719 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Br)ccc1Br 1950207829 LCQUDORJEPRIOR-LLVKDONJSA-N 503.879 6.828 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)sc1Br 2054161987 ONOLHCLZHMTDKG-MRVPVSSYSA-N 509.045 5.387 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)n1 2060853991 PSEFTFYDTSZSBV-LLVKDONJSA-N 501.842 5.675 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467834 CRUOWOKMTJXWJI-CMMZKGIBSA-N 536.327 7.309 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)s1 2141470333 GKCAGBVWVGOSEX-MRVPVSSYSA-N 637.638 8.589 50 10 KKGE CC(C)C(C(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477553 RSYDAGOVVAJOEG-CQSZACIVSA-N 540.359 7.945 50 10 KKGE Cc1nn(C)c(Br)c1COc1c(Br)cc(CBr)cc1Br 2185795354 RMKJAROOKFFYEK-UHFFFAOYSA-N 531.868 5.490 50 10 KKGE Cl[C@@H](c1cc2sccc2s1)c1c(Br)c(Br)cc(Br)c1Br 2206406105 VIDJGHGTBGLKIT-ZDUSSCGKSA-N 580.386 8.341 50 10 KKGE COCCOC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2216398446 ZQYYYLXXYNADHU-LURJTMIESA-N 515.887 5.005 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)sc1Br 2218599268 ZRFGOPNJPDFFIZ-JTQLQIEISA-N 586.738 7.422 50 10 KKGE C[C@@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)c(Br)cc21 2225695228 DQGHAWKJGGLIPN-CQSZACIVSA-N 500.662 6.196 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2Br)c(Cl)c1Cl 2232511423 KBSYBEHVIUJPMX-NSHDSACASA-N 542.707 8.263 50 10 KKGE Clc1cc(I)c(OCCCCCCCBr)c(I)c1 2263165963 ASWRGRYICZORHZ-UHFFFAOYSA-N 557.435 6.273 50 10 KKGE COc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)cc1I 2269554350 SIGIOAOGHHTWAK-CYBMUJFWSA-N 516.036 6.225 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1I 2279049137 XYSXDHLQGHCQBJ-CQSZACIVSA-N 550.843 6.853 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2283581213 NXLGPABDMVWPIO-SNVBAGLBSA-N 545.256 8.043 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2285987383 IZYWDQNSJSUCRQ-CYBMUJFWSA-N 554.248 7.390 50 10 KKGE COc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506734 CEJAYLLQPAFBAA-XMMPIXPASA-N 504.011 5.722 50 10 KKGE CCOc1ccccc1NC(SCc1cccc([N+](=O)[O-])c1)=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2297414602 WGRAJWKGVKZADE-UHFFFAOYSA-N 562.648 5.450 50 10 KKGE Cc1ccc(S(=O)(=O)c2nc(C(C#N)=Cc3ccc(F)cc3)sc2S(=O)(=O)c2ccc(C)cc2)cc1 2297730597 ANJWADYQZPMQTK-UHFFFAOYSA-N 538.647 5.629 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]32)c1Br 2312064158 UHAXHHODZIPRPJ-MNRJBDMISA-N 566.751 7.219 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314617757 AEXZDDGELXAYFX-HSZRJFAPSA-N 591.693 5.143 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 2314620958 XFGXTPJUXLBRKR-UHFFFAOYSA-N 563.057 6.774 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634798 MHSKEMQYRZDOLA-SSEXGKCCSA-N 545.035 6.755 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 2314808160 IECXUWGLCPDPHC-UHFFFAOYSA-N 516.594 5.708 50 10 KKGE COc1cccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)n2)c1 2331421486 UFUJYBKAYOYUBQ-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC 2331444156 SJZYFEJLUGLDQH-UHFFFAOYSA-N 511.485 7.913 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 2333303803 ULIBCUHQNJFEFP-ASSXTNMASA-N 580.778 7.609 50 10 KKGE Fc1ccc([C@@H](CI)OCc2cc(I)ccc2Br)cc1 2367609546 ABAFUXFZECTADQ-OAHLLOKOSA-N 560.970 5.886 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 33515846 KZGFYXKFCLNCBG-PGMHBOJBSA-N 504.546 6.238 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38655884 CLVIQXSUELRTJI-SANMLTNESA-N 523.416 7.000 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678743 ABXPSVZZACCVHC-QKFKETGDSA-N 509.331 5.179 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 40826343 IFFGNBUNTKDEQQ-OKCVXOCRSA-N 505.880 5.689 50 10 KKGE CCCCCCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCCCCCC 49863715 DJPULBNYGBQRIS-UHFFFAOYSA-N 729.062 10.094 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OCC 54624635 OJIYFPJOGYJWQO-NGRIYPKZSA-N 506.599 5.323 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100154527 GRXGSVNLPXNFNT-UHFFFAOYSA-N 578.573 5.810 50 10 KKGE BrCCCCCCOc1ccc(-c2ccc(OCCCCCCBr)cc2)cc1 100193000 KRLMFEMMRZETSE-UHFFFAOYSA-N 512.326 8.022 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 100919895 ULAIECVQHLSVFR-XDJHFCHBSA-N 558.666 6.095 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 101241198 NCNPXFLJOOCAAC-KTNRVYNWSA-N 539.701 6.171 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244395 NSLWKWVIYWWEDZ-GOHCDNDPSA-N 522.457 6.621 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 101303378 JUPNZDHJJDEPDN-ZXVVBBHZSA-N 522.605 5.123 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101307517 CZWIRCBVCOUJGW-MHZLTWQESA-N 542.975 6.405 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 101333381 VCWKUIQLGVMAIN-RDRPBHBLSA-N 536.676 6.665 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101370766 YTRMIQNMNGALJM-OAQYLSRUSA-N 576.474 5.382 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 101374092 AUYWFZAITITTBL-HKBQPEDESA-N 542.632 6.029 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101386997 AUSCBQSNEJMQKA-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387074 QALGBORQYKUNLA-QRNTTWRNSA-N 548.570 6.250 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101388642 ZKGDKVJTQSUPLC-UUWRZZSWSA-N 603.074 7.908 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)c(C)c2c1 101391348 DGSCCVUXKVLIFO-RUZDIDTESA-N 529.390 6.504 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 101397295 YTOFYNQLKPWPDW-SSEXGKCCSA-N 536.628 7.364 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccc(Cl)cc12 101398529 RLHBHHCTFIZXQG-SSEXGKCCSA-N 597.454 8.064 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 101399105 GQCOHNRMIPURES-WJOKGBTCSA-N 583.040 6.682 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399640 USCWLQPJVHYCCC-XIFFEERXSA-N 586.644 7.465 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405819 ILSLPQYXJCCJFI-KZPAXWQTSA-N 610.695 5.609 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(Br)cc5)c(C)c43)coc2c1 101620369 ATQHHTHBIZGGKA-NJZRLIGZSA-N 591.462 5.188 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(C)c1 101727096 RZFKNJGPKQXCGU-IPPBACCNSA-N 582.545 6.711 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCC(C)C 101727486 PMXLSMBOBPUULW-KKMKTNMSSA-N 582.973 6.902 50 10 KKGE N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccc(NC(=O)/C(C#N)=C\c3ccc(F)c(F)c3)cc2)cc1 102942054 HWACEOKNJFVZFQ-JZTLMNBPSA-N 582.513 7.127 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 103741427 WFHBWRWVSRHTFM-CSRGTXSUSA-N 526.239 5.745 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105059193 CUJHIVFVNNOMQL-WKULSOCRSA-N 525.413 6.617 50 10 KKGE COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(OC)cc3)cc2)cc1 106011840 DTQPIAUPZSYUDA-YXGHVCOTSA-N 534.616 5.832 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccccc4[N+](=O)[O-])cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 106110065 HZQQGTYURDCEAU-VMCVTNGESA-N 549.587 5.732 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 150423308 PFHKQTVSISIVFQ-SLLOZXFSSA-N 684.312 5.837 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1Cl 150460809 FQZHRUGGTVVPBD-MGBGTMOVSA-N 677.556 8.726 50 10 KKGE Cc1ccc(C([C@H](O[Si](C)(C)C)c2ccccc2)(n2nnc3ccccc32)n2nnc3ccccc32)cc1 195816186 WHRYQLTWTKZGSF-GDLZYMKVSA-N 518.697 6.327 50 10 KKGE O=C(Nc1ccc(C(F)(F)F)cc1Cl)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 205205497 CFRFIHCJDGKPCW-QNEJGDQOSA-N 645.017 8.110 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205655854 RYGSZAQKOVOCBH-CQXQUNSSSA-N 522.645 7.000 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 207210761 CPXLQMNTCOFGCL-HAHDFKILSA-N 500.620 6.415 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214323504 ZJXLKCXSBOCHKI-XBELVFRGSA-N 550.659 5.654 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 215683993 FAGFLKDXAVYVFV-YUDMECHNSA-N 672.973 7.366 50 10 KKGE Clc1ccc(Cl)c(COc2c(Br)cc(CBr)cc2Br)c1 236055153 QWBNMICDPSQURY-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CCCOC(=O)c1ccc([Si](CC)(CC)O[Si](CC)(CC)c2ccc(C(=O)OCCC)cc2)cc1 253578173 XZZSBRJVCUCHDQ-UHFFFAOYSA-N 514.811 5.922 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(Br)[C@H](Br)CCC[C@]4(C)[C@@H]3CC[C@]12C 254417591 VYXNUQWHPGRLNR-JEPNLWBOSA-N 530.473 9.389 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc(Br)c4)o3)sc2c1 254447229 FFJCOBWOXCUEOC-UHFFFAOYSA-N 502.415 5.966 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 254698578 OOWMMGNAIBGLQR-UHFFFAOYSA-N 507.656 5.827 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)cc2C=NNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cc1OC 254801318 WNYNOXKJGPSXBW-UHFFFAOYSA-N 650.154 7.792 50 10 KKGE Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O 257620230 XGGIVXWAYKZBIV-NPSZRKCDSA-N 547.903 5.493 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 388393803 WCFLWTCOSYXHCN-MRXNPFEDSA-N 506.181 7.593 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)N=[N+]=[N-] 605693385 KQJXHZRKNUECLZ-XLMKAIFGSA-N 601.902 6.130 50 10 KKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(I)c(Br)c2)C1 721573907 UCMPPKJWWXZHRI-MEBBXXQBSA-N 515.027 5.127 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 725274292 PLNVPXYEPJXQPO-UHFFFAOYSA-N 552.226 5.805 50 10 KKGE CC(C)[C@@H](C)/C=C\[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@]34C=C[C@]5(C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@]3(C)CC[C@]12C)OO4 725439548 IAFGRXRTUBXMRK-OFTNEJQASA-N 618.852 5.078 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1 1084025711 RHBYDXFZFCCNGG-UHFFFAOYSA-N 654.608 9.440 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccccc2C)cc1 1084071507 JXLMVPMTKYQFSC-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1 1084263905 RVQGVGMQBZKUTC-UHFFFAOYSA-N 529.460 5.765 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 1084330891 OFJSSAAAWLBZQB-UHFFFAOYSA-N 517.589 6.532 50 10 KKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)c1 1084343128 PTEZBXADHTXLFZ-UHFFFAOYSA-N 512.517 6.474 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 1084378472 IMVDWOAIUXSIJN-MUUNZHRXSA-N 548.481 6.123 50 10 KKGE CCOC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084462003 GAPZXUVUSZMRKP-RIYZIHGNSA-N 542.213 5.642 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1084611851 HWTZFXVSDIEULU-XMMPIXPASA-N 729.309 5.746 50 10 KKGE CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C=CC=C(C)C(=O)N2)O4)N(CC)CC 1548337569 OPFFQPAPHBUEBG-FHWLSOCYSA-N 868.034 5.923 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cc2)cc(OC)c1OC 1772720559 QOFUURDEQBTQJK-UHFFFAOYSA-N 640.490 6.673 50 10 KKGE CCOC(C)(C)O/N=C1\[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@](C)(O)C[C@H]1C 1848440373 CUJNDMRUUFHMGS-GUYDAEHASA-N 979.452 7.080 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683454 FACRYSIDSAZGEW-HSZRJFAPSA-N 514.969 5.193 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687406 QLRSVMYIAUBSKQ-PMERELPUSA-N 528.612 6.394 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688097 JEPVDEHCUYRNNR-LJAQVGFWSA-N 550.659 6.473 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693737 QSKNQEZVOIUXFA-MHZLTWQESA-N 511.025 6.253 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)c1O 1865697236 YDRYIHYEOBWLTN-GOSISDBHSA-N 522.186 5.182 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702580 XDWYJHGVZOPHRG-QHCPKHFHSA-N 504.924 5.757 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704688 BZMDHWJASYHWRN-MUUNZHRXSA-N 520.633 6.229 50 10 KKGE CC(C)(C)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866874317 DZVAVSLMBAMKOI-QHCPKHFHSA-N 543.718 5.875 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)n1 1868388133 FTXWXBMVYSMUPN-LJAQVGFWSA-N 512.082 7.551 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)\c2ccccc2)cc1OC 1872758245 RFOOUIJQLOTSQU-VXFSDHHQSA-N 507.036 7.576 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872793131 JRIATTQNIYCLTI-XIEYBQDHSA-N 521.041 8.899 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1sc(Br)cc1Br 1922945286 DZALKQPZUAETAS-NSHDSACASA-N 519.878 6.529 50 10 KKGE Fc1cccc(Cl)c1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923073131 VCJMQXQALNZUSB-LURJTMIESA-N 511.863 7.398 50 10 KKGE Fc1cccc(F)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924589199 AHPPVOHIPZFFAQ-QMMMGPOBSA-N 525.832 6.798 50 10 KKGE C[C@H]1COc2ccc([C@H](Br)c3cc(Br)ccc3I)cc21 1925758523 XGKWGYDZUWWEJO-FVMDXXJSSA-N 507.991 6.034 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 2037828582 RFTMVRUNHOIILC-CCFGXSSASA-N 819.973 7.893 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1I 2053623374 VDNIAFRUXHMNPT-UHFFFAOYSA-N 514.750 6.069 50 10 KKGE Cc1nc(C[C@H](Br)c2ccc(Br)cc2I)sc1C 2086149561 PHXDKXBZUCEACR-NSHDSACASA-N 501.025 5.806 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2nn(C)c(Cl)c2Br)c1Br 2138870343 IOPAWOXPEWJDKI-SECBINFHSA-N 536.287 6.154 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@H]32)c1Br 2141468499 KLHDTQIGVBEZGB-HIHLCYOISA-N 580.778 7.609 50 10 KKGE CCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2141469950 XXYPVSZMEOOSFT-FRSIUCEKSA-N 583.782 6.561 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141470446 HDFHNJZBKQJTGP-LLVKDONJSA-N 641.615 7.983 50 10 KKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C1(CCC1)O2 2157464875 JYWZCLWPNCYBJQ-UHEGKEBESA-N 505.497 6.854 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2182021896 LSYISGRDTLDLCW-SVNSUYFQSA-N 521.418 6.720 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 2198738855 FXLQKKOMXDSHMD-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(F)cc2I)cc1Br 2202904287 PHOOOLSDXCKVDE-CQSZACIVSA-N 517.933 5.825 50 10 KKGE C[C@@]12CC[C@@]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206400143 PVCRRUSSNRCUIU-IHRRRGAJSA-N 596.777 7.132 50 10 KKGE Cc1ccccc1[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2222471687 MAHUKKCDJJHCLV-VIFPVBQESA-N 517.906 7.023 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2234070488 UNAHZEBXXDRPEG-CYBMUJFWSA-N 508.645 6.154 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(C)cccc2Br)c(C)c1Br 2235606175 BHGFUNSFPLBFBC-INIZCTEOSA-N 525.904 7.384 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 2293198385 DMEKGWYSAUWVOJ-QFIPXVFZSA-N 556.844 6.307 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2296038255 ZYKPEDOLLYIDER-UHFFFAOYSA-N 525.472 6.048 50 10 KKGE O=S(=O)(N=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)[C@@H]1Cl)c1ccc(Cl)cc1 2296463539 OHZOCVNOBKUPHP-MRXNPFEDSA-N 629.585 6.437 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc21 2296546457 YZDDZROXSRBBFZ-UHFFFAOYSA-N 542.042 7.723 50 10 KKGE Cc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2313556149 ONESVMZLYDYOPO-UHFFFAOYSA-N 590.596 6.450 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12 2313570899 ITWOGNOSAAJWTC-UHFFFAOYSA-N 582.281 8.042 50 10 KKGE C[C@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 2313624452 SUSSYYIKALTCMY-KRWDZBQOSA-N 525.472 5.090 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C(C)=C(C#N)C2=O)cc1 2314616470 BKTZOYOTRWYOSY-UHFFFAOYSA-N 558.594 5.112 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314617304 VRQFGLIJIGGNMQ-UHFFFAOYSA-N 542.975 5.449 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643207 HWDTYHNDTQESQV-JGCGQSQUSA-N 583.015 6.904 50 10 KKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(OCc5ccccc5Cl)cc4)nc(O)c23)cc1 2318356186 FHRJFVWZHKBNDE-UHFFFAOYSA-N 603.169 7.662 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329703167 NXRVTHLPWPNBMC-UHFFFAOYSA-N 555.450 6.089 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)c(Br)c(OC)c1OC 2331265818 DTMOXWKIQXTZTG-UHFFFAOYSA-N 507.793 6.202 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331318209 HHLDCTCCGTZRBT-CQSZACIVSA-N 519.848 7.275 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331330693 AITPRGPHTHWLAR-UHFFFAOYSA-N 521.554 5.327 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 2331364091 JWAKIYULZCKHJC-UHFFFAOYSA-N 517.394 6.584 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)cc1Cl 2331471792 HHCLNIKMOICSGN-UHFFFAOYSA-N 507.793 6.022 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362230492 QNQMLCLNFSJBCI-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)c(I)c1 2366728962 HLJZKLCALLVIJZ-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2304457 QTWRBLUEGFJDEU-XYZDCVNTSA-N 522.457 6.675 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1cccs1 3013981 VDOORCUAHAKBAF-HXUWFJFHSA-N 549.406 5.347 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 14131067 GMLRSFFRQZYMIY-RGVLZGJSSA-N 515.778 6.905 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 38604367 DMEPLXIMPKSVBU-WPWMEQJKSA-N 522.649 6.273 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38680001 CJHBGZRJTIILPO-OWJWWREXSA-N 509.389 6.147 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38684689 UBZYKDDTAZIUSE-SSEXGKCCSA-N 526.633 6.584 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 38688597 ACTITBCGFDRLDU-HSZRJFAPSA-N 518.978 6.009 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 39858839 GCOOTHHWRHQSAW-UVTDQMKNSA-N 511.752 5.993 50 10 KKGE COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 59304690 UGRIRNFYGDIOOU-QNKGDIEWSA-N 502.618 6.633 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3Br)cc2)cc1 100062915 OLAGAJOFRXSRGX-UHFFFAOYSA-N 603.311 5.601 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc4ccccc4c3)cc2)cc1 100078334 DUYAXOHOAHJSNP-UHFFFAOYSA-N 554.672 5.104 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207262 LDKTYKLFCOPHHV-LJQANCHMSA-N 584.536 5.299 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 100452934 HJZQASDRKQLBNC-MGCJZSHXSA-N 583.253 6.141 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245203 SWRZGZACGOBEJU-IDJUBOEBSA-N 518.038 6.112 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101339372 XCEREUHTFOTIPT-WGOQTCKBSA-N 587.072 6.170 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1OC 101375241 UHCPKHGVUKUJHO-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385277 IEUSXFJDQFHPKZ-JGCGQSQUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1Cl 101388055 GBSZWIPCVULJFB-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389677 CUOPTFARHDZQPQ-GMWXTNTRSA-N 608.666 6.957 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCCC(C)C 101393402 VAQQZSKOIBGMPL-SSEXGKCCSA-N 566.654 7.229 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCC(C)C 101395524 DVAXZPDKIFIJRU-SSEXGKCCSA-N 552.627 6.839 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 101616611 QOAXQRDFSTXFAY-KCSSXMTESA-N 569.367 5.906 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(/N=N/c6ccccc6)cc5)c(C)c43)coc2c1C 101619734 WEFALCKTTNRMAH-PIPAPUIFSA-N 573.653 8.018 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(C(F)(F)F)c5)c(C)c43)coc2c1C 101619777 UPDYSMULOYEDEF-PPOKSSTKSA-N 537.538 6.621 50 10 KKGE CCOc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(Br)c1O 101626073 IYSLIYQDUQZFOK-PYALHYSWSA-N 585.886 5.194 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 101720245 RBXQMPNCPRUKKV-QOMWVZHYSA-N 574.478 8.128 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 102667202 WLORXAMFVBWXFX-HWBIBUKPSA-N 542.875 7.020 50 10 KKGE CCCC[C@@H](CC)CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 102834329 SCLJTPCEDWJYJX-AFXLCRDISA-N 567.133 8.011 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12 102933821 FBJGEXZDGOLEBY-HMAPJEAMSA-N 619.415 6.876 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 103741708 HAJFEVCWCQYDMK-FNBPXTNNSA-N 504.409 5.514 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 103742790 WGKUJAHUEAMQQL-QPSWJSTDSA-N 526.420 5.875 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1 103879118 UQIPPVNBKKZKPG-LGJNPRDNSA-N 575.200 6.143 50 10 KKGE COc1c(C(=O)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)ccc2ccccc12 104996496 XSCJXTLBJJFLIV-KRUMMXJUSA-N 532.369 5.431 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1Br 109844412 AJYVOVBXCKKSSX-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3ccccc3oc2=O)cs1 110570842 OZOWNZPORMYNKB-ULJHMMPZSA-N 548.627 7.987 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 150461113 OIBADLRXGLOQJV-XIFFEERXSA-N 659.566 8.506 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 150461581 FUIIWAHGHYKHRI-XMMPIXPASA-N 694.757 8.874 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150479410 IEAHKJDHAWOYFS-XMMPIXPASA-N 628.937 6.817 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205782135 INABXHIOXJUFLQ-LUNPLWTBSA-N 664.809 5.967 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206434239 BUYKIIVGPXRRBE-WMGYAVBXSA-N 534.568 5.709 50 10 KKGE Cc1cc(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](O)c2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 209147365 WKBJHPNRVHVCNK-SJARJILFSA-N 651.791 8.811 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214211576 FGFMDIOAVSCWGZ-RGXNXFOYSA-N 564.645 6.884 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 214233318 IDWKATVJSLQHIL-UQQQWYQISA-N 526.612 6.250 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214307124 HQNXYEXHDMGMOW-RGXNXFOYSA-N 604.682 6.665 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 214315299 GSXHSXCYFLRRRK-MYYYXRDXSA-N 504.546 5.242 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214407449 MMZJJOQSIJMAMP-URWSDTSISA-N 544.586 5.794 50 10 KKGE O=C(NCC1(CBr)CCCCC1)c1cc(Br)ccc1I 232471577 QXNNKJVAHLDMKC-UHFFFAOYSA-N 515.027 5.129 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)c(C)cc1Br 235862478 CALVYJFTIYVJHS-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)c(F)c1 236226149 IHSJLOOPPJJLTA-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253565986 IKLSCTSBZWGJMB-VVNQULFPSA-N 606.200 5.701 50 10 KKGE Cl[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 255993928 PCQHHGZMQLZGQM-KKYNAJBLSA-N 559.102 6.923 50 10 KKGE in-vitro CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024839 HJVZUVSIRAKMNI-GKYNCNILSA-N 784.887 14.392 50 10 KKGE Cc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)cc1Cl 395568548 LJTXLNASOMKISE-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)N(C)C1 504203719 KNWRANWQYPIVSF-UKNXBXICSA-N 641.540 5.967 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(F)c1Br 691542865 RHSFRTUCBHDZKG-MRVPVSSYSA-N 525.832 6.798 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1C=NNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccs1)C(=O)O 1081162800 NOWYOFIYNIVRBL-QFIPXVFZSA-N 572.064 5.361 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817717 YXADDVIQROVGOJ-QCBQRGATSA-N 630.892 6.196 50 10 KKGE COC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1083902058 DKSUZBPWASKPLO-UHFFFAOYSA-N 580.866 6.184 50 10 KKGE CC(=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 1084021521 FGEGTXQOMOQCFJ-UHFFFAOYSA-N 514.699 5.680 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084032811 RBLZXEVKPAXNMW-UHFFFAOYSA-N 644.537 5.972 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(Cl)cc2C)cc1 1084191011 MWUCTIGMDVANLM-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CSc2ccccc2)cc1 1084203732 BDWLHQCOSVJFOI-UHFFFAOYSA-N 502.639 7.475 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084207818 UOFIIVDTOQPUPK-UHFFFAOYSA-N 607.788 5.812 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc3ccc(OC)cc3nc2Cl)S(=O)(=O)c2ccc(SC)cc2)cc1 1084243207 XODIIAPSZKRFIN-UHFFFAOYSA-N 599.134 5.363 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084249221 HHTQIGDJMRHVJB-UHFFFAOYSA-N 593.190 6.282 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1 1084284406 PHPCHFUHXOHZRH-JOCHJYFZSA-N 766.155 6.043 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 1084428876 ZXYBCPYRJXVIQL-UHFFFAOYSA-N 505.880 5.035 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084439998 GPALPMZETSPTDR-VIZOYTHASA-N 693.081 7.466 50 10 KKGE CC(C)(C)N(NC(=O)Nc1cc(Cl)ccc1I)C(=O)c1cc(Cl)cc(Cl)c1 1615948381 KKLFURTURPGACQ-UHFFFAOYSA-N 540.616 6.229 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747040 CIXARLCSSAGIIB-AWEZNQCLSA-N 528.411 6.486 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)COc3ccc(Cl)cc3Cl)CCC4)c2n1 1772750307 ZOMQCWZWHGTILW-UHFFFAOYSA-N 552.414 6.206 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 1772754727 ROXXBWQAXAOVJM-UHFFFAOYSA-N 507.074 7.162 50 10 KKGE [C-]#[N+][C@@H](c1cccc(OC)c1)c1cc(C)ccc1S(=O)(=O)c1ccc(C)cc1[C@@H]([N+]#[C-])c1cccc(OC)c1 1857791025 UHFDVXQCKVGCDS-ACHIHNKUSA-N 536.653 7.171 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)cc1Cl 1865686432 VWSULPUSHLQUHN-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687996 GGEIWJRMFOKSOR-GDLZYMKVSA-N 550.659 6.063 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865691520 UTIRNUWGUAUFJB-GDLZYMKVSA-N 569.105 7.438 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Br)cc1 1865692842 JPPPLUDIUVXHON-JOCHJYFZSA-N 523.431 5.603 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865693821 MACORUPPALYGCH-MHZLTWQESA-N 506.606 6.156 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865694368 UGPPTCGSWLHXHN-RUZDIDTESA-N 564.539 6.285 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694467 YJGYBBSRSLYKOS-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695756 SLDWQSMDCBFWDP-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696975 MHHMLSQRTSUXIV-LJAQVGFWSA-N 550.659 6.238 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703499 WUMNHTLQJRMNMP-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704950 IQFHGPUUENZDTK-AREMUKBSSA-N 525.008 5.975 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705718 DADOKTHKMONTJU-DEOSSOPVSA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706013 LRQZVAPVOFAMQD-QHCPKHFHSA-N 548.386 6.040 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865708852 HNFASNVSIIDBHJ-MUUNZHRXSA-N 578.113 5.401 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713273 VKDRDYGDBNKRHL-VWLOTQADSA-N 507.550 5.350 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129375 PYLQIOJWVASWBD-LFIBNONCSA-N 515.816 6.553 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131867 RACOWLSMSSJRDY-MHWRWJLKSA-N 560.267 6.662 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866781752 QNAVHTQWUFBUMV-FTJBHMTQSA-N 507.606 6.374 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005992 OWOADAUGZDVMCL-RRPNLBNLSA-N 534.081 6.259 50 10 KKGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867083678 PNNSFHVHJYENLG-NRFANRHFSA-N 551.694 5.029 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)n1 1868253624 NRYZRMFVYQLLEA-PMERELPUSA-N 537.645 5.863 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745382 KRJQSLHSQOPGKQ-GEKIGNFYSA-N 503.580 5.331 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc(Br)c1OC 1872751402 GPKTWKKIDGFXQY-KUNSGPAMSA-N 505.340 6.374 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 1872754863 MLMMPZFUUSJSRW-LCUIJRPUSA-N 521.598 6.182 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c(OCC)c1 1872755453 ODMUXARUWRYCRB-QQKBAMFOSA-N 517.651 6.324 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C/c2cccc(OC)c2OCc2cccc(C)c2)n1 1872795045 KANAVONKUBVYBS-FYJGNVAPSA-N 503.023 7.432 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1sc(Br)cc1Br 1922939867 JCTBNLPBVHGUFO-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585839 QXBVBGUHYCFLQH-VIFPVBQESA-N 519.878 6.529 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1c(Br)sc(Br)c1Br 1924595806 DZDMYRKVVHXXME-VIFPVBQESA-N 603.193 7.889 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 1924614395 NTXYCZLLPXXVND-LZCNBPATSA-N 509.883 6.039 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(I)sn2)c1 1983286646 SCHLETYYZZJGMN-JTQLQIEISA-N 537.840 5.757 50 10 KKGE Clc1cc(I)c(OC[C@H]2C[C@@H](Br)C2)c(I)c1 1991496959 IQFNBSAKGXETMO-KNVOCYPGSA-N 527.365 5.102 50 10 KKGE Clc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2004903346 WVMHOSMVWOMUEI-ZCFIWIBFSA-N 564.771 7.841 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCC2)c1Br 2022288310 CNZKAWSULQMYFN-ZXFLCMHBSA-N 507.911 6.908 50 10 KKGE C[C@]12CO[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(C1)C2 2025087974 JUEXWECJIYWXID-BKDNQFJXSA-N 509.883 6.041 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c1 2033084100 LUWKWHNFRICAPH-CYBMUJFWSA-N 562.719 7.221 50 10 KKGE O=C(COc1cccc(Br)c1)NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2)CC1 2053623099 FDRVSGNTBRLRIS-UHFFFAOYSA-N 530.850 5.047 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCC2)c1Br 2079392996 OAQUEUWHNYLFNT-OYNCUSHFSA-N 521.938 7.298 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12CC(CO1)C2 2085493641 FFJODGKUSALKBY-RVUVVNSJSA-N 524.272 6.196 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2ncccc2s1 2108676638 AGEGKVHTNKFNHW-SECBINFHSA-N 502.478 7.021 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C(C)C)c1Br 2123244320 VAMDVRRPVPZILT-INIZCTEOSA-N 503.300 5.888 50 10 KKGE CC(C)([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141471857 XBDYUJSYLJSFAP-SECBINFHSA-N 596.699 7.761 50 10 KKGE CCn1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)nc1Br 2201062446 NQUSLDOIVVYUFZ-ZDUSSCGKSA-N 529.896 6.292 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399906 MWLKGGJEMNJLQT-LLVKDONJSA-N 659.605 8.123 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2225614978 BKRPCBSMPCJSPX-CYBMUJFWSA-N 583.258 7.046 50 10 KKGE CC(C)(COCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Br)cc21 2225693509 KBOYWEZYOWGJJT-UHFFFAOYSA-N 500.662 6.295 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232509598 DBHZVUOVLNENKI-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE Cc1sc([C@@H](Br)c2csc(Br)c2Br)c(Br)c1C 2246413014 DQPGHOMZWLTMTJ-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1cc2sc(Br)cc2s1 2278022890 DXZXEEJYPFVKOJ-ZDUSSCGKSA-N 501.490 7.579 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2295172589 FQTJKMOPLLSVMJ-UHFFFAOYSA-N 561.841 5.733 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 2297533975 SINHUJSGNJMBSO-UHFFFAOYSA-N 526.589 5.323 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)o2)c(Br)cc1OCc1ccccc1Cl 2297638733 LEDMGQKRNLQJSX-UHFFFAOYSA-N 585.907 7.339 50 10 KKGE Cc1nc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299488792 JSIOUKFWQKXMJP-INIZCTEOSA-N 532.095 7.040 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 2313518234 XOBHCJYZLYGKGQ-UHFFFAOYSA-N 505.412 6.508 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313521296 DPHQXYMDLAUJAU-UHFFFAOYSA-N 564.250 7.948 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 2314433110 JPPLMICYJUEATM-UHFFFAOYSA-N 552.637 6.034 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc2c1CCCC2 2314486843 FKGSKEWFFRUTBS-UHFFFAOYSA-N 557.075 6.855 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O 2314534142 ZJIWQSOZFDWHMZ-UHFFFAOYSA-N 507.333 5.348 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314594023 XOYBCRCRRTXUCH-GDLZYMKVSA-N 523.702 6.334 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594034 XWCGGUNVQQSYMX-QFIPXVFZSA-N 528.417 5.338 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634594 MDOSQIWOTINGRW-MHZLTWQESA-N 519.384 6.395 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 2314634817 PGCLKSDZCZDVGH-UMSFTDKQSA-N 580.725 7.645 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1 2314737646 GEXNXMXTYOSBFY-UHFFFAOYSA-N 513.594 6.071 50 10 KKGE COCc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2315089303 ZUSZOYMCDCXJSI-ZDUSSCGKSA-N 502.009 5.746 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1OC 2331237879 OMKWFFRKKSIFRN-UHFFFAOYSA-N 519.420 7.249 50 10 KKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 2331259631 FFZRBIGKPFBQPK-UHFFFAOYSA-N 508.397 5.774 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404535 OQYXVZCDYJYZIU-LBPRGKRZSA-N 520.825 6.625 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OCC 2331470177 PMMGBRHUWBJABC-UHFFFAOYSA-N 506.668 7.639 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(F)c(Br)c1F 2338719014 DAXNBZHKTMNARS-ZCFIWIBFSA-N 523.795 5.470 50 10 KKGE CC(C)(C)[C@](C)(CBr)COCc1ccc(I)c(Br)c1 2352102913 BUVYNLFBDHDSSI-OAHLLOKOSA-N 504.044 6.018 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2ccccc2Cl)c1Br 2362228823 GEXKGFQZLUFGGE-QMMMGPOBSA-N 505.834 7.336 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1888944 KWOKMBZJLFCMFB-GUNDDFSMSA-N 506.002 5.264 50 10 KKGE COc1cc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)ccc1O 1950366 SVLQGNXKLCNMNI-RPPGKUMJSA-N 519.779 5.168 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 38606841 GSXHSXCYFLRRRK-MFKUBSTISA-N 504.546 5.242 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)c1 38701160 QFJVBRILEBOFNW-XTTWBRMDSA-N 516.682 7.376 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc1 40814594 PELOISPSERJMJO-JJKYIXSRSA-N 518.570 5.327 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 58894078 BQHSRSSLZHFPTH-POBUXNOSSA-N 514.981 5.429 50 10 KKGE COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1 96504352 GZIPGWGTQBNCJO-MOSHPQCFSA-N 503.480 6.041 50 10 KKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100156714 QOPMYFDJDUPITN-QFIPXVFZSA-N 535.644 6.132 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 100335846 ZFPTXFJVQFMZGY-WOJGMQOQSA-N 589.227 6.187 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 101036766 SDRUDPSDFOESCC-RUZDIDTESA-N 570.621 8.347 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101079313 JJOHNMIYSSYVGX-OVVQPSECSA-N 545.231 5.836 50 10 KKGE O=C(NNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101106906 XGJCZSLIKWFSQQ-UHFFFAOYSA-N 519.359 5.166 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242457 LTEQLMKNBAVNSY-GFPZRUSRSA-N 507.999 5.074 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243703 MXLHXIRGDYJAJN-NQYKVDOOSA-N 551.590 6.018 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246538 OQRNGBMPPZUOIV-MIGQBWSYSA-N 532.065 6.537 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101307509 MILFXAUFHAZREQ-LJAQVGFWSA-N 536.584 6.314 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 101339689 DSHOHPPQRWEQJE-CVKSISIWSA-N 590.611 5.988 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1 101367511 STHHJWLYRKUGCS-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101374857 GTSBHRBTPWXJCB-MUUNZHRXSA-N 533.024 6.601 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101375165 BKNPEEWJBHZKCK-NHRFMIRVSA-N 584.713 7.225 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379483 LQQVHXXCIFUQHT-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379794 ZBBDLCRPDPFVGK-HKBQPEDESA-N 567.041 6.738 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385247 DSHICXMAVXRVOU-KACQLMOOSA-N 544.607 6.420 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(C)cc1 101385416 JINOTIJCCLCLQJ-UMSFTDKQSA-N 576.649 6.402 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101394154 ZHJJDRICVHZOCI-RUZDIDTESA-N 547.032 6.789 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1F 101399823 QDLJTBHQXXGJRF-JGCGQSQUSA-N 604.590 6.347 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(Cl)cc5Cl)c(C)c43)coc2c1 101620482 IDJPDXGTJZDOOM-AJBULDERSA-N 539.415 6.876 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 101735441 CMSDOEAPFYZYQH-OVGGYYKHSA-N 536.584 5.942 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 102666170 ZCEPYPUQTGYJBU-RDKICWGTSA-N 566.466 6.235 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 128222665 BFYKYCHTSBUVSH-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 150485217 FKNYWLIGWFARBD-PMERELPUSA-N 631.523 7.909 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485792 LHJJUVSRQRUNHJ-MGBGTMOVSA-N 631.512 7.400 50 10 KKGE O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1cccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)c1 164242675 SJKWWHLHLFUEJQ-UHFFFAOYSA-N 640.560 6.397 50 10 KKGE C/C(=C/C[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@@H](C)CO[Si](C)(C)C(C)(C)C 195789319 VTUYIQLTBSOSCD-HPOCBBLISA-N 552.030 10.410 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 205650065 KSZMCMCYYSMSBX-JZGRIFLDSA-N 586.688 7.409 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(/C#N)c4nc5ccccc5s4)cc3)cc2)C1 229825719 JZHXFMAWMIPFBY-WUTURFDSSA-N 557.697 6.246 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(I)ccc1Br 236038090 WIHGUOLOXYRWAU-JTQLQIEISA-N 571.297 6.968 50 10 KKGE CC(=NNC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 252627330 RRXOHQOBYJERMY-UHFFFAOYSA-N 556.662 7.578 50 10 KKGE COc1ccc(OC)c(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)C4CCCC4)cc3)c3ccccc3n2)c1 252637593 XTYUIYPWAAGOIX-UHFFFAOYSA-N 536.632 6.202 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(F)cc1 254417007 OHEJDFKHJACACO-UHFFFAOYSA-N 512.537 5.640 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 254438692 CQOBIJPSUPDQGS-UHFFFAOYSA-N 547.636 5.892 50 10 KKGE O=C(COc1cccc2cccnc12)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 254495808 QYXRQCQNFHXUHB-UHFFFAOYSA-N 516.804 5.924 50 10 KKGE CCCCCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(=O)c1cc2ccccc2cc1O 254557693 OSRJTODEHBYVPE-UHFFFAOYSA-N 591.752 7.570 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nnc2-c2ccccc2)cc1 254906829 FQPKGSNNUSHOBC-UHFFFAOYSA-N 523.618 5.434 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)CCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504081792 UAMJDBHGEBLGGF-INQRMYHRSA-N 579.773 10.898 50 10 KKGE COc1ccc(CCc2cccc(P(c3cccc(CCc4ccc(OC)cc4)c3)c3cccc4c3Oc3c(P(c5ccccc5)c5ccccc5)cccc3C4(C)C)c2)cc1 642814275 URDWRAMDHLECJT-UHFFFAOYSA-N 846.988 11.222 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(I)cc2)cc2c1OCCC2 689545757 XQQZPMLDVLLCLX-HNNXBMFYSA-N 507.991 5.863 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 719532834 CFVRPGQOXZFNSZ-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C 936069172 SPHUIJWPZSWHEE-ODAMUDADSA-N 510.923 10.671 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)O)c1 1084009806 YGNNRROHGAZHKB-UHFFFAOYSA-N 510.546 5.169 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1084088432 XBYIEUXYXHVQOK-UHFFFAOYSA-N 546.336 5.429 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccccc2)c1 1084300209 GOBATBQFLHDHMI-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084325049 ZIYSDBSHANQENI-QFIPXVFZSA-N 638.256 5.505 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1084326212 CXBRZQZWSUWKRV-UHFFFAOYSA-N 695.122 6.944 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084337254 REYRKKHZWKPZLF-FRKPEAEDSA-N 577.218 6.797 50 10 KKGE Cc1cc(C(=O)O)ccc1-c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 1084407566 XOGYYRPURHDICZ-UHFFFAOYSA-N 503.558 6.483 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccc(C)cc2)cc1Br 1084545921 ZRBCRTNECJRPFP-UHFFFAOYSA-N 643.991 6.173 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OC 1084568226 RHLBESZEYUCHDG-UHFFFAOYSA-N 590.474 5.930 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084636192 JYGFMFXXUJHQRF-LZYBPNLTSA-N 615.138 8.586 50 10 KKGE CN(CC(=NNC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1)C(=O)c1cccc(F)c1 1088669504 LYKRVEUYJCVBFT-UHFFFAOYSA-N 506.431 5.161 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)N[C@H](C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 1614653124 KXRXFZLCHRFBCI-YPXGIFEZSA-N 509.675 6.422 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C1 1614701161 IAGVCPCCGGMFOS-PBHICJAKSA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745854 LHVUKBCVHGFYHV-UHFFFAOYSA-N 519.473 5.404 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1772753827 KWMLTDDADZFJIU-UHFFFAOYSA-N 535.427 6.777 50 10 KKGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772755224 VEACKDFKWHPCGR-UHFFFAOYSA-N 611.027 7.826 50 10 KKGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1 1860512793 XBXFMBUHGCIFNP-UHFFFAOYSA-N 510.419 6.197 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689401 RIZYDCMXMZXBGY-LJQANCHMSA-N 539.341 6.034 50 10 KKGE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695787 SWLBHTAEUXCRRX-AREMUKBSSA-N 517.416 6.344 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700509 VWYUTFLCXXATCA-XMMPIXPASA-N 528.399 6.554 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706481 XQGAWCCFSNZOTF-QFIPXVFZSA-N 536.350 6.171 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c1 1865714693 NQNLKWFLSJNFMW-XMMPIXPASA-N 511.423 6.196 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Br)cc4)cc3)nc2c1 1872728571 JPMDPZKJGJFQKC-XDHOZWIPSA-N 516.351 5.528 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 1872753313 QYIGYTDWSBWKEZ-LCUIJRPUSA-N 511.087 8.301 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 1872756224 FVLIQXFOEPFBMQ-YIJYBQTRSA-N 510.015 5.883 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872795096 MXZOAKHBAHCEIA-VGOFMYFVSA-N 505.821 6.706 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923054249 CIGCGRPJUOKQIN-VDTYLAMSSA-N 501.487 5.330 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1I 1924037853 CJSXBZNTUFHZQI-CLAHSXSESA-N 559.865 6.451 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cccc(C3CC3)c2)c1Br 1924569482 WGQPZLHQCGPFGU-LLVKDONJSA-N 529.917 7.397 50 10 KKGE CC1(C)CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924592132 WYOUQRPARLKBEW-IONNQARKSA-N 523.954 7.688 50 10 KKGE Fc1cccc(Cl)c1C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924599568 JILMHCWDYWVBHY-SSDOTTSWSA-N 511.863 7.351 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC(C2CC2)C2CC2)c1Br 1924605948 YYUHENPXUOCFRA-VIFPVBQESA-N 521.938 7.298 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1Cl 2048155391 JREGOXBWWKOQNU-VKHMYHEASA-N 607.185 6.669 50 10 KKGE CN1C(=CC(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 2053611956 VGZYPNFTBCVVLW-UHFFFAOYSA-N 587.640 7.652 50 10 KKGE C[C@H](C1CCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493648 FICFAUDMKCSFJI-KBUNVGBDSA-N 568.767 7.609 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(I)c1 2086139363 NRYROUQRHUHQKP-MRVPVSSYSA-N 694.644 7.887 50 10 KKGE C[C@H]([C@@H]1CCCO1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470967 MMMOVALNQNLHRL-PUMQYWBSSA-N 584.766 6.988 50 10 KKGE Cl[C@@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)ccc1I 2146621613 PQUSGFSPLLTGKJ-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Cl)cc(Br)c1 2166826928 RQBMDQIELXGELY-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2201079703 UIWIHCNRFPJUHV-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1Br 2206397078 DTDSOAYGNKPLDJ-QNXKQYJZSA-N 592.789 7.465 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1Br 2207276090 SIMPQOQYPPJPKH-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2224056210 UVGQQAJHQGDNIA-VIFPVBQESA-N 585.324 7.324 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2270428522 BPXICDOEKSOKGH-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12COCC(C1)C2 2273075626 ZTDOHLCNUJFUGN-BZCBFNEHSA-N 538.299 6.443 50 10 KKGE COc1c([C@H](Br)c2cscc2OCc2ccccc2)cc(Br)c2c1CCC2 2284593398 SKZKAMPUSBKRSF-NRFANRHFSA-N 508.275 7.071 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198357 ZLSQOXLCMFPOJH-XMMPIXPASA-N 532.463 6.131 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 2293648501 MBEHCKMOBZLHRB-UHFFFAOYSA-N 597.071 5.555 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2293727251 HKPOGQSLTIIOHD-UHFFFAOYSA-N 532.069 6.284 50 10 KKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)cc1 2296506961 NABLYYONOSCHKZ-VWLOTQADSA-N 518.038 6.030 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1cccnc1 2296706082 VLKCPDDGLIFTFL-UHFFFAOYSA-N 546.030 6.390 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790103 OXAZGRDDIDUAAD-SFHVURJKSA-N 509.672 7.315 50 10 KKGE N#CC(=CN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1 2297564465 XUBIKOOEACNJIF-UHFFFAOYSA-N 541.503 5.170 50 10 KKGE Clc1c(Br)csc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2299531537 WULHQQFIWMCYBR-MRXNPFEDSA-N 507.074 7.834 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1 2313571038 LXYZIGXLKLYQGI-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519710 ZLDZRSMDBGFXNZ-UHFFFAOYSA-N 527.518 5.708 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592435 TVIPCRYEINWDCU-RUZDIDTESA-N 502.039 6.276 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634505 BMJZRWZBIJFQJA-AREMUKBSSA-N 523.372 5.848 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2314646652 ICEQTTPWBZPAHA-SFHVURJKSA-N 583.449 5.179 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 2331260635 TWHKVUWTHPUGFR-CYBMUJFWSA-N 508.397 5.917 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 2331318352 BNRFEOUATNTXEG-KRWDZBQOSA-N 510.015 6.107 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331385721 FNPRVMCKXOPCQP-JOCHJYFZSA-N 503.580 5.331 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)ccc1Br 2360425366 BMYKJSLUTIAOQL-NSHDSACASA-N 570.703 7.904 50 10 KKGE CC12CC(C1)[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362895234 QAPFGBTZTFURHR-OUVKEWSXSA-N 596.777 6.988 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365185695 KHIVBUWPUJOXBD-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE CN(C)c1ccc(C=NNC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)cc1 8398635 ALYIUAJVTVWBHX-AREMUKBSSA-N 612.518 5.480 50 10 KKGE C/C(=N\NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(-c2ccccc2)cc1 33959043 UMSYMTDYZDTQCP-WGOQTCKBSA-N 516.233 6.106 50 10 KKGE COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)/C(C#N)=C\c4ccccc4)ccc3c2=O)cc1 34779819 VORKQXNNDDVXBV-LGMDPLHJSA-N 507.420 6.125 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCC(C)C 38684152 RWKYIBSYLGRLFT-LJAQVGFWSA-N 514.578 5.241 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1 59680148 YBUCZNZKQDVPQE-MUFRIFMGSA-N 503.396 6.575 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1OC 97914588 NHSVVRCYZUIXLF-MHZLTWQESA-N 517.066 5.250 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1Cl 100035479 IOPIBKXAPWPOBT-UHFFFAOYSA-N 562.281 5.253 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100186608 VSNLSPZJWPNXCV-UHFFFAOYSA-N 554.510 6.025 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(F)c1 100235826 NGFZNODJJBGAES-ZTCOUNKMSA-N 569.471 6.258 50 10 KKGE CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 100899914 COQAPWLZSHQTKA-RGIZOBGTSA-N 544.644 5.627 50 10 KKGE in-vitro CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101332508 HWGKHSYAWXWSKZ-YZSQISJMSA-N 508.622 5.885 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C2=O)cc1 101340231 FABAWLHZOQFGAO-KBVAKVRCSA-N 572.709 6.184 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 101363878 ZDMUQFAZUXTZMK-XMMPIXPASA-N 525.786 5.614 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 101368797 MHPGVRIFFGCJCS-QFIPXVFZSA-N 556.210 5.658 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101385984 DYQDNCHLYMTJRF-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386305 BWLMFIHIBCXNEC-XIFFEERXSA-N 611.094 7.400 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389761 DKQDTFZKHHHUKW-WJOKGBTCSA-N 601.486 7.717 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)sc2c1 101397630 ICCPMLKSGRGWPE-LJAQVGFWSA-N 613.522 8.533 50 10 KKGE CCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 101727124 LUJZILPRMVHTPM-JFLMPSFJSA-N 562.555 6.783 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(Br)c1 101766985 NACBETQHSSIAKK-UXHLAJHPSA-N 539.470 6.217 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 103878487 CJXKVXUDKXGROV-VTNSRFBWSA-N 559.409 7.692 50 10 KKGE C=C/C(=C/C=C(/Cl)CCl)NC(=O)NCc1cccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 108687327 XNFFAKRHSJYNOJ-MPTYHRAVSA-N 528.267 6.546 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)cc1Br 128655671 XOBNRMOYAWXYPG-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 211918434 IBVPQEMZGXJNLQ-HMMYKYKNSA-N 565.186 6.389 50 10 KKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214344160 RSJALOZWBGLUOO-WCFTWNFSSA-N 506.602 6.326 50 10 KKGE N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216497949 JLRSYRRVLKRNEL-MDVFONAFSA-N 526.684 6.030 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cc(I)ccc3Br)ccc2N1 232484536 VZNJLRHBENGXOT-HNNXBMFYSA-N 506.963 5.033 50 10 KKGE COc1cc(Br)c(Oc2ccc(Br)cc2CBr)cc1Br 234916489 MMUPTHIPFICEEO-UHFFFAOYSA-N 529.848 6.670 50 10 KKGE Cc1cccc([C@H](Cl)c2cc(Br)ccc2Br)c1I 235904193 CPYFGVKGIWSGBZ-ZDUSSCGKSA-N 500.399 6.453 50 10 KKGE CCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253530087 DCIQOWDTOXIBKI-QWGKTMRZSA-N 505.227 9.347 50 10 KKGE biogenic COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)ccc1O 254566702 LFSJTIHAYSOZHM-UHFFFAOYSA-N 529.666 5.497 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)c(OC(=O)c2ccccc2)c1)c1ccccc1 254595264 XUDYTINATUSKHM-UHFFFAOYSA-N 530.536 5.748 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 254762898 SUMJBPQIHRSRKQ-UHFFFAOYSA-N 504.704 5.847 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1-n1cccc1 254826003 RSMORXKVLRXKIT-UHFFFAOYSA-N 500.805 6.401 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 254852907 CAPYDMCGKZVORQ-UHFFFAOYSA-N 530.665 6.547 50 10 KKGE CCCC[C@@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O)c2)[C@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 257421404 FYBKUFIZQMYJHP-GHUFIWBJSA-N 653.728 10.481 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1sccc1I)OCCCO2 312457320 VQXWGEUAWXCRGT-CYBMUJFWSA-N 530.019 5.761 50 10 KKGE Cc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CBr)cc1I 382705967 SVGIUOXSQPODAO-MSOLQXFVSA-N 514.201 5.347 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)ccc2Br)c1I 383338583 RKTQZLXZINTGES-JTQLQIEISA-N 534.815 5.034 50 10 KKGE O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1Br 725416281 AYDBZQRYGZTLTN-UHFFFAOYSA-N 541.254 5.102 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OCC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725427919 REJWLHNJJPUQOE-UHFFFAOYSA-N 622.143 6.062 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CSc5ccc(Cl)cc5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1083888175 WCRRYRSQKJXWTC-LZRJDNKJSA-N 624.206 8.630 50 10 KKGE CCOc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083907546 CJJYNUVNMVJQEP-UHFFFAOYSA-N 541.673 5.943 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 1084008976 BVXRZYXVRDMYCV-PMERELPUSA-N 587.543 6.395 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3F)cc2Br)cc1 1084224143 NBWOSWTULQWGID-DEOSSOPVSA-N 559.432 5.538 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)O 1084334568 VKGZKUAWRLHALZ-WUXMJOGZSA-N 561.159 5.006 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 1084358846 DNGWHUKGGQBZAN-UHFFFAOYSA-N 759.269 9.470 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084373783 SAVDKOYOJRVKBQ-UHFFFAOYSA-N 644.090 7.450 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 1084652429 UOOAWXFKRIFKKD-UDWIEESQSA-N 576.307 8.552 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748090 IIZPAAZDHXOAQO-UHFFFAOYSA-N 503.908 5.912 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 1772755102 NATGBSSOBBIBJI-UHFFFAOYSA-N 647.414 7.165 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865691691 YZCGKZPFDAONNN-SSEXGKCCSA-N 564.686 7.042 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865693277 UABWNWNUUATOEF-QHCPKHFHSA-N 571.903 6.646 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865695065 IRMWWOOSMLNZCY-YTTGMZPUSA-N 568.677 7.021 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696370 DVCIYVSTHJBFBX-MHZLTWQESA-N 557.050 6.274 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702730 CTMRWMXONDRJKA-NRFANRHFSA-N 523.902 5.737 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)ccc1OCC(=O)N(CC)CC 1865707213 RAJIBYTTYLFLNW-MHZLTWQESA-N 564.086 5.011 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865708568 BMBURYIVZYLJKB-DEOSSOPVSA-N 501.417 6.686 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc(OC)c1O 1865714064 BUIOSIFUHOCRDR-JOCHJYFZSA-N 545.393 5.243 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866797038 TWPXZXSWWRESJT-DEOSSOPVSA-N 566.477 5.447 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867067491 NUECHWVJDPEWQY-MHZLTWQESA-N 540.645 5.251 50 10 KKGE CC(C)C[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Br)c1 1867209115 FROJQHAZJYJOGO-LOSJGSFVSA-N 536.495 6.648 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1 1872744414 QQQWIAHWAYHVNI-QVTSOHHYSA-N 515.638 7.832 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(I)c(Cl)c2)c1Br 1922886405 KMBXTALYWPDVTB-SNVBAGLBSA-N 585.324 7.324 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924594229 LVKAHQPKUFMSTD-VIFPVBQESA-N 582.775 7.591 50 10 KKGE Clc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924599839 MHUAPBOMZOWSPG-LURJTMIESA-N 572.769 8.021 50 10 KKGE O=S1(=O)CCC[C@@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924615916 IKPJRAOZSAYZLO-SVGQVSJJSA-N 501.487 5.140 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Br)CCC1 2025779337 GFEDXRNVYRZBFJ-JTQLQIEISA-N 575.158 7.334 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2025780485 TYKQTGXHNKNABA-SYDPRGILSA-N 554.696 6.093 50 10 KKGE Cc1sc([C@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2031482231 PWOAQYHPUUUTAV-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1cc2nc([C@H](C)Cl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Br 2040757574 NNQMKKRUKHQFIN-NRFANRHFSA-N 510.907 7.500 50 10 KKGE C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@@H]1[C@H]2C 2060323917 LPXKEZSZAHHYSB-DOGXELJPSA-N 544.893 8.002 50 10 KKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2066882473 BWLWSYIOZALITH-SVRRBLITSA-N 525.926 6.677 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085499166 SBAKYURQSLGDSS-CRCLSJGQSA-N 578.709 7.464 50 10 KKGE CC[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2141470795 KWUHDSVPURZZEP-ULHQUTTKSA-N 548.285 7.698 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@H]2CC[C@H]2OCc2ccccc2)c1Br 2179828280 OERUHQGTHZOANE-ZWKOTPCHSA-N 517.283 5.021 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C 2181744235 AIJSDGOYCLUSQK-HBMCJLEFSA-N 517.802 5.831 50 10 KKGE O=S1(=O)C[C@@H]2[C@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206398775 YTIXMZUOAXZLGL-ZGVUKUBGSA-N 616.789 5.463 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)ccc1I 2207109690 ACKPBOJJTCQUMB-GFCCVEGCSA-N 536.379 6.778 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)sn2)c(C)c1Br 2220143174 CNTKONBZQLPCAQ-LBPRGKRZSA-N 521.443 6.218 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2C)c(C)c1Br 2227369262 MYCQIYDQQADLJJ-CQSZACIVSA-N 531.933 7.445 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(C)c2I)s1 2233021042 MBZTVOAXKJCDJC-CYBMUJFWSA-N 530.063 6.444 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1COCCN1Cc1ccccc1 2234072262 OBEPONCCFXRMED-OAHLLOKOSA-N 513.661 5.201 50 10 KKGE COc1ccc([C@H](Cl)c2csc(Br)c2Br)cc1I 2257357928 ZQTSMWMBYUMPDP-NSHDSACASA-N 522.427 6.215 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277891739 KLTQBFUACHFSCM-MRVPVSSYSA-N 572.769 8.021 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2280677457 RFJDLKUFJWBSKK-LBPRGKRZSA-N 566.378 8.250 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295267274 KIHMJCAAQXHGJJ-NSHDSACASA-N 550.285 7.445 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cc(Br)c(O)c(OCC)c1 2295672716 WWCXEIVYTJSASI-UHFFFAOYSA-N 507.406 5.461 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2296645823 GGVAJLDIZKITQV-UHFFFAOYSA-N 551.603 5.622 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2296790116 PLLIVQAXCYZIEI-UHFFFAOYSA-N 545.620 7.940 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 2296964698 DDTVWSFQSNLEBE-UHFFFAOYSA-N 541.357 6.065 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2314442347 FMYNSAOXLQDDFO-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314453183 UENXMPCCBABGIM-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)c(=O)n(-c2ccccc2)n1C 2314478140 GUCSAAJHMRHNLI-UHFFFAOYSA-N 641.131 7.115 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593918 VYCKGQYCOVPGEG-RUZDIDTESA-N 502.039 5.645 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314610026 CFGPEKPEKXYHRZ-UHFFFAOYSA-N 550.703 7.055 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 2314634099 LXAOIWUBWDJSMF-HKBQPEDESA-N 534.999 6.756 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634158 UIDVGFSVLPQHAM-NDEPHWFRSA-N 535.427 7.009 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2314640753 WAKNJCMSDXTMDC-YTTGMZPUSA-N 583.471 7.718 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(Cl)c3)nc2c1 2331046411 SGOWGNBOBADBRF-UHFFFAOYSA-N 501.926 5.427 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3c(C)cccc3C)n2)cc1OCCC 2331293373 CGBSCFYJIDNMDD-UHFFFAOYSA-N 506.668 7.656 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414313 VVJLUKRVGJKHHQ-UHFFFAOYSA-N 505.042 8.774 50 10 KKGE CCCCCC=CCC=CCCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCC=CCCCCCCCC 2333252110 LIBNDJOBAGMROQ-DIPNUNPCSA-N 637.430 12.531 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(C)nsc1Br 2339655077 XFCNDKFXIMLUQM-VIFPVBQESA-N 536.884 6.671 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1OC[C@@H]2CCC[C@H]12 2358470941 WXCPCNKYMXBMLH-HIZWJCBPSA-N 552.326 6.832 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Br)cc(F)c(Cl)c1F 2364069432 IOYOBECLNUXLNV-LURJTMIESA-N 558.240 6.124 50 10 KKGE COc1cc(C)c([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364229476 YRIPGVVYNCUVEF-JTQLQIEISA-N 531.868 5.509 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)sc2C)c1Br 2365177217 XRSDLSQWAWMACJ-ZDUSSCGKSA-N 503.481 6.989 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)n2)cc1 33568630 KUCMPGYFLJQQEH-BRPDVVIDSA-N 520.661 8.702 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)oc2c1C 38688343 QXFMSCKSFTZYDH-DEOSSOPVSA-N 519.384 7.102 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701275 YORXBMSAQGQYQO-LJAQVGFWSA-N 522.601 6.974 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822788 RRVDXHTWBDDAMM-DNGXXSEMSA-N 520.629 7.376 50 10 KKGE Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2C)o1 58832778 GYAVEXPTDMSUSS-RVDMUPIBSA-N 500.190 6.634 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 58891953 HIGRUDXMTBIWDC-HGNFKBFPSA-N 521.455 6.029 50 10 KKGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 59167435 RTKQPVBTYNVRJR-UXHLAJHPSA-N 511.582 5.252 50 10 KKGE CCN1C(=O)/C(=C\c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)SC1=S 96022417 VQMGHEZAARFLKH-XAYXJRQQSA-N 524.651 6.717 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1OC 97914840 QFLQGERIYYTWLH-AREMUKBSSA-N 505.030 5.033 50 10 KKGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212884 JVDVKBIYAYICNX-UHFFFAOYSA-N 562.489 5.102 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 100236024 JBDLJVZLWOAUNO-WGNDPNKDSA-N 590.312 6.153 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1nc3cc(Cl)c(Cl)cc3nc12 101106588 NDYKPGIURNRZBG-MYODQAERSA-N 524.235 5.860 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101307512 CZWIRCBVCOUJGW-HHHXNRCGSA-N 542.975 6.405 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c1 101336024 AHTBDNDSQNOOFV-VFCFBJKWSA-N 538.648 5.737 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCCC)c(OCC)c1 101373773 NMOAWRFLEBPGJE-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 101375020 ZHGDQVFVMUMQIA-WJOKGBTCSA-N 558.631 5.721 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101375267 GPACIUKNLQHRLK-YTTGMZPUSA-N 568.714 7.779 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1 101377695 ZUGIDJZNKCOSGT-PMERELPUSA-N 512.606 6.238 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1C 101380452 BPKHBXRGZUHRQE-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383294 HHJJECXHMUSXBV-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384224 JGUFYAWXESOLQA-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385825 CLVKWNJAHMLQKF-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387249 QAGOVQVSOVWFLT-XIFFEERXSA-N 594.639 6.885 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 101388155 FNEKOHZNGZLGOK-SSEXGKCCSA-N 598.011 6.663 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccc(Cl)cc12 101397917 JVOKZJRBNQZTQB-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 103735498 BLVGVBBBVFFFTK-FEZSWGLMSA-N 550.721 7.046 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 103765017 UFGPNYCFKQVNJX-SDXDJHTJSA-N 542.579 7.408 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(F)c1 103796264 RQNGFBLZEAKDGA-XICOUIIWSA-N 533.603 6.943 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1 103880837 NVJIUIPTUHVUTH-ZSNJKBEMSA-N 612.499 7.706 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCCn3ccnc3)cc2)cc1 105479971 ITTDVFHIWAARAD-RRAHZORUSA-N 542.643 5.737 50 10 KKGE O=C(c1ccc(Cl)s1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 139026354 KWFQLDFWJLNPCW-DNTJNYDQSA-N 511.766 5.956 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 150429023 BGSMEQQSDGMXKP-DVMDLWDRSA-N 634.365 6.552 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)CC1 150448283 NCSGFXWVLOQLLY-COEJQBHMSA-N 665.193 5.495 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 150501210 NPUBHXKVNMSVMJ-ZCTHSVRISA-N 639.583 8.598 50 10 KKGE BrC[C@@H](COc1c(I)cc(I)cc1I)c1ccccc1 155948764 IVCMRSCYODBIGX-NSHDSACASA-N 668.876 6.058 50 10 KKGE CCO/C(O)=C(\C#N)[C@H](c1ccccc1F)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 198090845 JXNBDZWWPRADRK-IJDGJMSASA-O 511.371 5.169 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1 198746133 PDXCQNLWCLDBNM-VTNSRFBWSA-N 549.410 6.564 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205654831 BWYNPXONCYSBDW-XAYSVVRLSA-N 538.644 6.800 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1OC 206541525 DQLUPZMQKMLMEP-GJFKPFFXSA-N 574.630 5.182 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214240261 DFLMLZXRWZTVNJ-CEUNXORHSA-N 536.676 6.747 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214277023 BPIIXDDZZPBWCI-YKQZZPSBSA-N 542.639 6.367 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214362677 MQEYYLNVNMNYER-OFWBYEQRSA-N 609.752 5.639 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 214379307 RMDZAJQEPNIPIY-FSGOGVSDSA-N 542.639 6.429 50 10 KKGE N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216499291 SYIBHPOXNDHBAS-FVDSYPCUSA-N 513.645 6.183 50 10 KKGE Fc1cc([C@H](Br)c2ccc(I)c(Cl)c2)c(F)cc1Br 232344117 OXQRZKHBEKQIIU-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)c(C)cc1Cl 235860125 HGXQYCFQJDPOGQ-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498438 JTGHSJQVBHQKPC-DYHLHJDLSA-N 700.725 12.051 50 10 KKGE biogenic CCCCCCOc1ccc(OCCOc2ccc(C=NNC(=O)Cc3nnc(NC(=O)c4ccccc4)s3)cc2OC)cc1 254304747 PKYPHGHPEPKGEK-UHFFFAOYSA-N 631.755 5.909 50 10 KKGE CCCCN(CCCC)c1ccc(C=c2sc(=C(C#N)C#N)nc2-c2ccc(OC[C@H](O)CCl)cc2)cc1 254372284 FWIPUONHRQPAGE-AREMUKBSSA-N 549.140 5.222 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)c1cc(O)cc(O)c1 254413917 DWKAJTLISSTIFD-UHFFFAOYSA-N 509.278 5.222 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CC#N)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CC#N)c2c1O 254845088 LOFQMGMFTVXCFM-UHFFFAOYSA-N 680.718 5.485 50 10 KKGE COc1cc(Br)cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c1O 254873670 DASCNZCSDSIPAA-IBGZPJMESA-N 631.556 6.140 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Br)cc1 256028438 MENQCTBMVASPGG-UHFFFAOYSA-N 583.533 6.188 50 10 KKGE CCO/C(O)=C(/C#N)[C@H](c1ccccc1F)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145725 JXNBDZWWPRADRK-WATDYLSRSA-O 511.371 5.169 50 10 KKGE Cc1ccc([C@H](Br)c2cc(I)ccc2Br)c(C)c1Br 719535645 LNCKTSXLTMYVCH-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817600 SAHJWPXTHJECLJ-AUURQCAXSA-N 755.034 6.751 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1 1083948485 GKORXYKXZMSKKR-UHFFFAOYSA-N 657.156 8.216 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084069991 CKDMBTBOEJLFFZ-LZYBPNLTSA-N 615.138 8.586 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccccc4)cc3[N+](=O)[O-])sc2c1 1084072823 RKWHWKGTRLTZIC-UHFFFAOYSA-N 567.652 6.680 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 1084096850 CJCVEKQGSYEMBQ-UHFFFAOYSA-N 769.986 8.054 50 10 KKGE C=CCN(c1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1084385052 IKOZXGLPLICKBU-UHFFFAOYSA-N 519.626 6.138 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=C(C)c1ccc(NC(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 1084441584 JKZVXASANKCDRW-UHFFFAOYSA-N 570.671 5.073 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084495562 SYWGRAGWEUULAE-HHHXNRCGSA-N 524.448 6.359 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2F)c1C)S(=O)(=O)c1ccc(C)cc1 1084517113 AKPIXIOQAHNVFM-UHFFFAOYSA-N 562.667 5.286 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccccc1OCc1ccc(C(=O)O)cc1 1084517773 FYKDWHMWRJXFMA-UHFFFAOYSA-N 592.715 7.473 50 10 KKGE ICN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084533045 OPGMQNYFNRUSJZ-UHFFFAOYSA-N 588.956 5.794 50 10 KKGE CN(C(=O)Oc1ccc(Cl)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615951070 UYVZJARTWCHJRZ-RGSGVQHRSA-N 550.896 5.959 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772753774 IHCWMOWDPBONDY-UHFFFAOYSA-N 501.410 6.234 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1Cl 1772755201 UKQAWUZYMDVVRH-UHFFFAOYSA-N 616.990 7.446 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1772760391 IIEQNJIOXVWJHQ-UHFFFAOYSA-N 563.894 6.743 50 10 KKGE C[C@H]1C[C@H]2[C@@H]3C[C@@H](C)[C@](OC(=O)c4ccco4)(C(=O)CCl)[C@@]3(C)C[C@H](O)[C@]2(Cl)[C@@]2(C)C=CC(=O)C=C12 1848433093 OTOVEDFARPCAAR-KKBMRFGWSA-N 535.464 5.115 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848433546 FZTPBALCQSLXDA-LZJKTNLDSA-N 769.218 10.984 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OCC 1865687138 KHOVQIIOVHMXMV-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865693992 SPSHWEZVLZSQAU-NDEPHWFRSA-N 528.612 6.708 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865695339 BSGMHRHYJMXLGZ-RUZDIDTESA-N 525.024 6.082 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696031 WMBPDEROYVTIFB-AREMUKBSSA-N 514.988 6.083 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697401 RJZWUVJWKAQPHV-SANMLTNESA-N 561.469 7.252 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1OC 1865700823 FCSAODGFYMOVOF-QGZVFWFLSA-N 525.314 5.492 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701316 SDTLJCWRNCYMNA-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703663 YNMPVFJYWXDVFP-MHZLTWQESA-N 555.476 6.693 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2csc(COc3ccccc3)n2)cc1 1866594215 GCKYQCIULQOFEN-RUZDIDTESA-N 528.659 5.204 50 10 KKGE CC(C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867035716 JBDGZPJKBNXENS-LJQANCHMSA-N 529.485 5.534 50 10 KKGE Cn1nc(C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1-c1cc(F)ccc1F 1867104639 YGYQHVGMJHLMIC-DEOSSOPVSA-N 503.534 5.048 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867128415 HLYQXUAWHACBCV-LMSSTIIKSA-N 588.104 6.949 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868456490 PXMBCAKDUXIHPM-RUZDIDTESA-N 522.609 5.545 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](c4ccccc4)Cc4ccccc43)n2)cc1 1868528357 RLQQJGXYWVVKLC-HHHXNRCGSA-N 555.707 8.337 50 10 KKGE N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1872782363 GUXJZTZKNNZXDH-UUILKARUSA-N 507.163 6.013 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)c(C)c3)cs2)cc1OC 1872790889 JVRQJYGKENTKPX-YBFXNURJSA-N 515.448 7.662 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccccc4C3=O)n2)cc1OCCC 1872817984 GTOCFZYLXIIJGS-XDOYNYLZSA-N 503.580 5.477 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)c(Cl)c1 1873794404 HKYGBNUYLVAJRZ-LALFDASXSA-N 510.119 6.859 50 10 KKGE Brc1sncc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1900453446 XIKRKEZTMYXARZ-SCSAIBSYSA-N 575.765 6.739 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1cc(I)ccc1Br 1924043618 NRFMSZIZKCERGD-RMLUDKJBSA-N 515.414 6.295 50 10 KKGE Brc1sc(Br)c([C@H](Br)Cc2ccccc2)c1Br 1924579647 IHBOXHCWOGNBTN-MRVPVSSYSA-N 503.879 6.714 50 10 KKGE COc1ccc(CC[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924599646 KJAOOZCQVORZFV-JTQLQIEISA-N 547.932 7.113 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3ccccc3c2)c1Br 1924600922 UMVWZWAPCBNWKG-LBPRGKRZSA-N 539.912 7.673 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCOCC2)c1Br 1924615607 DGVDGHZOAYPRJM-POYBYMJQSA-N 511.899 6.288 50 10 KKGE CCOC(=O)c1c(C)[nH]c(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1C 2053614570 YVBRHCDAUIDXCU-UHFFFAOYSA-N 504.546 6.197 50 10 KKGE Cl[C@H](c1cscc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492755 QXLLIWHLWWVAJX-LLVKDONJSA-N 603.193 7.889 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc(CC2CC2)s1 2087639077 ANBGITXOMQTGPD-HNNXBMFYSA-N 512.048 6.552 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Cl)cccc2Br)c1Br 2138869509 APVAQPXZDDCCNW-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2141471572 SWWLKWIIOAFQOL-GFDCEMQASA-N 580.778 7.609 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C[C@H]3COC[C@H](C2)C3)c1Br 2141801817 WBISMFGUTHFMJW-MHYGZLNHSA-N 537.937 6.534 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)c(F)c1F 2148755540 ZHVYDMDYNSZVIY-LLVKDONJSA-N 537.793 6.876 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)c(C)c(Br)c2)cc1Br 2167397130 XKDJKFODHQUADQ-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2185101127 WBMIAHLYLMKCCY-DGCLKSJQSA-N 515.027 5.078 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)cc2Br)cc1Br 2202349731 ASNPDDACCMWMHZ-CQSZACIVSA-N 503.843 7.011 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2202998880 FIMCFBSLSANMAC-CYBMUJFWSA-N 548.294 7.120 50 10 KKGE CO[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206393721 ASMMRAADYARPNT-GIHMMQTOSA-N 554.342 7.222 50 10 KKGE CC1(C)CCCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397731 MGNKTVIZZKSPBI-PELKAZGASA-N 596.821 8.389 50 10 KKGE Clc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)c(Cl)c1Cl 2232513256 QJPYFSRQHABIAL-SECBINFHSA-N 522.289 7.851 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2scc(Br)c2Cl)c1Br 2264596540 RZUIVTOWWMVDHC-ZCFIWIBFSA-N 519.427 7.491 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)c(C)c1F 2279155628 LQRSYZZFQWTMDM-CQSZACIVSA-N 529.867 7.214 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 2294619992 YQGVJUQJMCNPLH-UHFFFAOYSA-N 562.247 6.898 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCO)C[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CC[C@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819199 YXNUEBDKPRQSQF-UTHZGPJBSA-N 701.282 13.038 50 10 KKGE N#CC(=CNc1ccc(Br)cc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296789967 FXJJXILXMCTDIE-UHFFFAOYSA-N 547.203 6.557 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(C=C(C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c3ccccc32)cc1 2297306958 KZESFQZYNGPCAA-UHFFFAOYSA-N 520.954 5.294 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1 2297458575 DYDWSGLLWQSWTQ-HSZRJFAPSA-N 536.426 5.962 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2297458654 QILXQJKNNNIWKP-QHCPKHFHSA-N 587.326 6.499 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(I)cc3)o2)cc1 2297617038 VIIAGTHXYWYXMT-UHFFFAOYSA-N 604.448 5.538 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2cc(Br)ccc2I)s1 2301086324 MXNKVPUZQQEPHS-JTQLQIEISA-N 573.846 6.701 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1 2313568035 OAHGJXJBWZZNKJ-UHFFFAOYSA-N 582.394 5.821 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593056 GQYDXNOADOIUMX-VWLOTQADSA-N 552.483 6.135 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314610224 FORNORDXQVMSDH-UHFFFAOYSA-N 558.707 7.224 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C(C)=C(C#N)C2=O)cc1OC 2314617039 POXZVVJTQNQTJX-UHFFFAOYSA-N 502.954 5.452 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314617129 RDZHVVDWMRZXIQ-UHFFFAOYSA-N 607.110 7.173 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1CCc1ccccc1 2314740447 ILDDJICNYZPTPN-UHFFFAOYSA-N 506.558 5.516 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314754592 WILFNACKBSRDMZ-UHFFFAOYSA-N 514.578 5.699 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OCC 2314807922 JOAKKSQZYDGDPA-UHFFFAOYSA-N 534.052 7.529 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2316832260 IJNDSXRRPQNQKH-INIZCTEOSA-N 549.488 6.615 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1 2331440965 GXMIRPUNAYXUOZ-UHFFFAOYSA-N 503.023 7.514 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)ccc1I 2362226772 ZHUHJLGVYASNGY-CYBMUJFWSA-N 552.834 7.245 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)sc(C)c1C 2365188933 PRLHTTKRMQSLIB-NSHDSACASA-N 549.923 7.584 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Cl)cccc1Cl 2365215329 IZCPFSYTCYPANO-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2cccc(I)c2)c(C(C)C)cc1Br 3084707 QFKIAHWHWCNAHO-LSHDLFTRSA-N 515.189 5.015 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 20509343 CSZSZOKYHVURDP-ULPGGUMISA-N 517.423 6.145 50 10 KKGE COc1cccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2ccc(F)cc2)c1 97956394 JTPCEZUBPIJDRS-COOPMVRXSA-N 534.657 5.228 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)c(C)c1 100186540 VHYJBMADCMLDOH-UHFFFAOYSA-N 556.910 5.085 50 10 KKGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1Cl 100921864 OLLVUPWWFMNDQQ-AFAVFJNCSA-N 528.510 6.273 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 101304955 XBBOEQKNKYALMT-WPWMEQJKSA-N 530.584 5.798 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 101333276 IDWKATVJSLQHIL-KOEQRZSOSA-N 526.612 6.250 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101334971 GBTHKGIOGCQSAD-RDRPBHBLSA-N 528.612 6.119 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCCC(C)C 101368331 VCJUTHZELZLYED-PMERELPUSA-N 542.632 5.940 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 101376306 IBRYWBLPHKJJIL-NDEPHWFRSA-N 544.604 5.719 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101395607 ZKBYWJMTOGEACQ-MUUNZHRXSA-N 589.113 7.960 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1cc(Br)c(OCC)c(OC)c1 101735025 JOFQPYSLCMOKOE-TXLOLLTHSA-N 595.446 5.690 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OCCOC)c1C 102924657 LZSGDPCZNONDQI-QGOAFFKASA-N 525.652 5.753 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 102989652 LIQNSMYEIRLEPT-UUYOSTAYSA-N 551.555 6.138 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4C)cc3[C@H]3C=CC[C@@H]32)cc1 103589362 JCGLPCDWHRQOIB-PUVDFFDCSA-N 539.701 6.382 50 10 KKGE CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc2c3c(cccc13)CC2 103748628 SPXKACOOILHUIS-QXUDOOCXSA-N 563.679 5.587 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1 103880841 HVVGYKDCRUAMPC-VFLNYLIXSA-N 616.262 6.398 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl 103888985 QAYAYNUGHYSEBC-CXUHLZMHSA-N 522.215 7.433 50 10 KKGE COc1ccc2nc(N(/N=C/c3ccc([N+](=O)[O-])s3)C(=O)c3cc(Cl)sc3Cl)sc2c1 139225637 MOGUYFBFVXVPHU-ODCIPOBUSA-N 513.409 6.324 50 10 KKGE O=C(CSc1nc2ccccc2s1)NNC(=O)c1ccc2cc(C(=O)NNC(=O)CSc3nc4ccccc4s3)ccc2c1 150430191 AJAXXZVWDBLRLA-UHFFFAOYSA-N 658.812 5.166 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463280 KMVLGHBKJNUWDZ-HKBQPEDESA-N 706.376 8.836 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1I 163301591 IGGSSZZLMYOXMB-DSWFSGPDSA-N 723.227 6.931 50 10 KKGE Brc1cc([C@@H](Br)c2csc3c(Br)cccc23)sc1Br 163400111 GMSBCAGHSZSDER-NSHDSACASA-N 545.941 7.735 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(I)cc1 163805439 HQFLJIVFEKRKJM-CCVNUDIWSA-N 666.253 6.384 50 10 KKGE CN1C2=C(C#N)C(C#N)(C#N)[C@H](c3ccccc3)N2[C@@H](c2ccccc2)n2c(/N=C/c3ccccc3)c(C#N)c(C#N)c21 169490373 OSFOODOASZLNGG-YRHYDLPKSA-N 555.605 5.804 50 10 KKGE CCCC[C@H](CC)CO[Si](CCCNCCN)(OC[C@@H](CC)CCCC)OC[C@H](CC)CCCC 195868697 JJJXKZYKNMHSMY-YTCPBCGMSA-N 516.928 7.563 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 205777646 DSWWTULHPLGXRN-XOTBCMANSA-N 600.656 5.202 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 205780630 DRYPAQAXFDPCLX-ZOODIOSSSA-N 666.731 5.392 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 214357902 PLQQNUAKLOJQCK-XYGWBWBKSA-N 524.596 6.002 50 10 KKGE CC(=NNC(=O)c1cc(Cl)ccc1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254300690 IZVFYTMVNQDQMW-UHFFFAOYSA-N 518.216 5.919 50 10 KKGE CN1/C(=C/C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)C(C)(C)c2ccccc21 254382415 BCGDZCQUOIPTPP-FSBJEGFUSA-N 500.602 6.027 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254408272 GVZAEJHCQIFBOC-UHFFFAOYSA-N 572.790 9.389 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC)c(OC)c3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254511212 WYDKIEKRJLIKEI-UHFFFAOYSA-N 589.718 5.509 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)O[C@H](c2cccnc2)P(=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@H]2C)cc1 254521421 JBWIQTGKLBLKDA-FQQKZOLFSA-N 650.797 9.387 50 10 KKGE COc1ccccc1OCc1cccc(C(=O)NN=C(C)c2ccc(OCc3ccc(C(=O)O)o3)cc2)c1 254808519 QWZKRMVIUYTHRX-UHFFFAOYSA-N 514.534 5.298 50 10 KKGE C/C(=N/NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408879 LUVQMDGKILTIRG-MJCWDANCSA-N 612.727 5.133 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=S)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642886999 BLKYMIQDVIRXHA-MFRHKPJHSA-N 877.130 10.293 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 721593420 KKCWHJCBDIVEIZ-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 725416301 JFKOQFTXZZOFLF-UHFFFAOYSA-N 639.561 6.380 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069120 DIMYHZDULFSWLS-FHZSLMIZSA-N 641.142 11.150 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)c(I)c2)cc1 1083851356 JWBSQQNTHSUVEI-RUZDIDTESA-N 572.443 5.541 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)O 1083885811 GBOPKXSWFLEZHL-UHFFFAOYSA-N 562.420 5.451 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 1084044287 YTXVXJYURAODDS-QHCPKHFHSA-N 545.861 6.044 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 1084100129 CGLNDRBFHPHGJY-QHCPKHFHSA-N 511.416 5.391 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cccs2)cc1)S(=O)(=O)c1ccccc1 1084261856 VOSFBEUWVPFPND-UHFFFAOYSA-N 524.067 5.869 50 10 KKGE C[C@@H](C=O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@]23C=C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]12C)n1c(=O)c2ccccc2c(=O)n13 1084288657 CFLHTDQMABEIIR-SEEZVXKKSA-N 602.892 6.995 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084354991 UXFGUEWXWFYTRZ-UHFFFAOYSA-N 563.202 5.471 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl 1084378462 DRWSBMGEOBXTPA-UHFFFAOYSA-N 596.619 5.495 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1 1084623307 XMYCMRICGLUYPV-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE CC(=NNC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084640426 PQNWUQMBVOVAKE-RKMGBUROSA-N 502.083 7.188 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1 1084642553 INOKKJUECWWERO-YBFXNURJSA-N 603.254 6.495 50 10 KKGE CN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015102 XXMGHDJXTXIVPC-OAIJCVCGSA-N 640.615 5.780 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742943 APHDCEZYZNWDHD-ZNTQCNGWSA-N 566.510 6.696 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747107 DTRORRMIATZBBT-UHFFFAOYSA-N 579.440 5.358 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccccc6C[C@H]5C)c(C)c43)coc2c1 1772751732 LAEWZSYMLUXOKL-LJQANCHMSA-N 509.606 5.942 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1OCc1ccccc1 1772756495 BUCJXJIJABPRGK-UHFFFAOYSA-N 610.730 6.599 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665500 PDBJUWKMSORENK-LTCRBSHKSA-N 658.644 10.881 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684623 UHBLPWQVJIQCKX-QHCPKHFHSA-N 531.385 5.727 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687459 ROWSWXUOHIFOFK-NDEPHWFRSA-N 522.605 5.639 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865687903 CUEZWTGFOITOOG-MRXNPFEDSA-N 555.738 5.629 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865688578 VOHPHKJJQJJVFZ-HKBQPEDESA-N 548.687 6.615 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865691888 DGMWNGVFFOVKQK-DEOSSOPVSA-N 551.485 5.970 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865696007 BFRACIRTLDPHCX-AREMUKBSSA-N 527.024 6.598 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865697207 PMTZVUGSXVBIAK-OAQYLSRUSA-N 529.822 5.281 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@@H]3c3ccccc3)OCO5)nc(Cc3ccccc3)n2)cc1 1868207188 JBABLGKLIVYSTJ-UMSFTDKQSA-N 569.690 7.265 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1C 1868455765 BKSOKBNPCAWHNL-VWLOTQADSA-N 539.636 6.768 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868457093 ZTXDGIDKEBXLHG-UHFFFAOYSA-N 559.114 7.008 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1OC 1872746302 BKRSQTLLVDJGLP-SKDAWRFRSA-N 510.015 5.365 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)c1 1872750111 XBRRALGXSMAAHQ-UZYVYHOESA-N 503.849 7.495 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3ccccc3C2=O)n1 1872751667 RPUHKPICBFLVRP-LNVKXUELSA-N 501.608 5.985 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 1872792942 YXOASYFJMSQYJC-WOJGMQOQSA-N 517.478 8.157 50 10 KKGE COC(=O)c1c(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)sc(/C(C)=C/C#N)c1C 1873428312 MLPHECPJEKMOCJ-BMRADRMJSA-N 515.635 6.572 50 10 KKGE Fc1cccc(Cl)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924593481 FFQNQXHUVBSXQV-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Cn1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)nc1Br 1924609462 YAJRFJKQAMSJLX-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE Clc1nc(Cl)n(-c2cc(I)cc(I)c2)c1CBr 2006640324 ZSAPGEBZJLQLSQ-UHFFFAOYSA-N 557.782 5.283 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nnc4n3CCCCC4)ccc21 2053622504 BHHVRMXFSLDBBX-UHFFFAOYSA-N 523.644 7.049 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccccc1I 2082378192 XYHLBFSZRUZRFJ-AWEZNQCLSA-N 500.399 6.500 50 10 KKGE Cl[C@H](c1cscc1OCc1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2085496455 WSRTXCZIUZGKJC-GOSISDBHSA-N 630.421 8.705 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 2109668634 ASYKUTOEAZYXKR-VIFPVBQESA-N 554.323 7.182 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C 2125297657 BVXZYOCPVPWXFB-VAMGGRTRSA-N 503.775 5.440 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)cc2I)c1Br 2142278704 GXUJLOFUHZRPMM-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE COc1ccc(C[C@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 2168412148 IOJFZPAZSMNUCW-ZETCQYMHSA-N 507.444 6.706 50 10 KKGE O=S1(=O)CCc2cc([C@@H](Br)c3cc(Br)c(Br)s3)ccc21 2170066823 JYNQORSBFWYMIK-GFCCVEGCSA-N 501.059 5.087 50 10 KKGE COc1cccc(Oc2c(I)cc(Cl)cc2I)c1CBr 2203203061 FRBSKXLGVVNNAN-UHFFFAOYSA-N 579.397 6.245 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224314652 ZLDXYIYCGHQQQN-SNVBAGLBSA-N 512.250 7.558 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(C)c(I)c2)cc1Br 2232833361 MQUDIMSTNOFALL-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Br)c2)s1 2233019205 GZAGKVNCMAHUOP-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CCCN(Cc2ccccc2)C1 2234061580 VIBXBNVLTYSKMN-GDBMZVCRSA-N 511.689 6.698 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)cc1C 2236013198 VSLHZSRAYLPFRJ-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Cc1ccc([C@H](Br)c2c(F)cc(F)c(Br)c2F)cc1I 2236111506 VKHGXKSXPSXGNU-LBPRGKRZSA-N 519.924 6.264 50 10 KKGE Clc1cccc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277957362 TZCCTCFSVLCYRN-GFCCVEGCSA-N 532.295 7.306 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 2294168274 AXEOXKHIFDDYSY-UHFFFAOYSA-N 678.264 6.281 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Br)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2297458546 WIKUGQIWBDTKHF-JOCHJYFZSA-N 522.424 5.093 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Br)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2297458547 WIKUGQIWBDTKHF-QFIPXVFZSA-N 522.424 5.093 50 10 KKGE O=C(CCCCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)c1ccc(Cl)cc1Cl 2297464388 WBMNJNQNAGDCNU-UHFFFAOYSA-N 528.508 5.278 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 2313631692 UMXMPKBROGVYJU-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313670629 LRGKIUUCJWUAON-UHFFFAOYSA-N 546.794 7.078 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314438747 AZYGAVVOBDKHTO-HXUWFJFHSA-N 531.590 7.100 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2314487637 DIEIIOIOFNAQQO-FQEVSTJZSA-N 576.041 7.256 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 2314591844 GBIYAAOBACYOEJ-RUZDIDTESA-N 551.590 6.396 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592111 MBZSDEXOMTZLOB-VWLOTQADSA-N 517.582 5.298 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592112 MCDFPYALUGGFGB-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314610371 GTLKDLDHYXTMJV-JOCHJYFZSA-N 534.660 6.344 50 10 KKGE COc1cc(C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314619864 GJJCBOBUHQGPAI-UHFFFAOYSA-N 543.403 5.126 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634784 LEVSPPFHEHCVEN-SSEXGKCCSA-N 506.602 6.386 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccccc3OCc3ccc(Br)cc3)nc(O)c2cc1OC 2331044448 KJIDBUNUNXOKFT-UHFFFAOYSA-N 518.367 5.758 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)nc2c1 2331046561 TXVUWUSKQMRADN-UHFFFAOYSA-N 536.371 6.081 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123520 JWKOWOWOOSGGIY-UHFFFAOYSA-N 506.580 5.171 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C(C)C 2331353925 NFZWVARKLIBZOX-CTNGQTDRSA-N 501.652 6.653 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c(Br)c(OC)c1OC 2331400733 OQOSEOPAAFTWJO-UHFFFAOYSA-N 513.822 6.263 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2331434355 QSQLMIYSOJGBJG-UHFFFAOYSA-N 520.611 5.818 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2COCC[C@H]21 2333303522 IPNLRYSRXLXCHC-YGDJMMPJSA-N 538.299 6.299 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Br)nc(C)n2C)c1Br 2337285429 NDASVIPPYSEOLU-NSHDSACASA-N 515.869 5.809 50 10 KKGE COC1(C(F)F)CC([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2343014246 PTCPBMYJQXQNEX-YQAWMQRYSA-N 503.428 6.423 50 10 KKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1I 2362437002 YLHTTWJWQQWJMW-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)cc1Cl 2363541796 MRYJXYJFBBWEQW-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE Brc1cc(I)cnc1N1CC[C@@H](C2CCC(Br)CC2)C1 2381257313 CFMOVJJLNIGULG-MOENNCHZSA-N 514.043 5.229 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660825 JJDORQBIWIOQSD-HHHXNRCGSA-N 505.486 5.824 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)c1 38679344 CRBBHPSYFDOAFD-MHZLTWQESA-N 500.551 5.320 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 38684077 VQGMMIRQQLUMML-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 58894438 DMNNDDNTDPWXMM-VGEVDKJTSA-N 524.661 6.640 50 10 KKGE C[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 98064683 WSRKTDJYRJVWBN-LEJYXSMESA-N 512.245 6.787 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 100061912 ZRKQCEXSUUODJF-WKULSOCRSA-N 568.265 6.473 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(I)cc2)cs1 101034367 GFQOKXMBNUFWSQ-XSFVSMFZSA-N 563.420 6.496 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065541 VRAYATMURJJJGQ-FEZSWGLMSA-N 558.432 6.866 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244737 QQUJMAMMHDWTNF-DXTZOESMSA-N 538.456 6.457 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245320 YMDWCWXWPPLIOC-JUEFXSDASA-N 536.484 6.984 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245429 KDLYIQDHXDRIJS-OKBUYZRPSA-N 536.484 6.929 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101333630 SNXLHUYSSTZASB-SRWDPJRNSA-N 625.795 6.132 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 101337015 JFFQWEAHJISMSA-SFFGGSCWSA-N 540.595 5.238 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101340496 VDRSVTWNBZMDFY-FMFFXOCNSA-N 608.673 7.358 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101340546 PHJVIEKYFNFCDS-HNSNBQBZSA-N 612.636 7.189 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 101369136 OAMXVGLDZSDLOZ-LJAQVGFWSA-N 567.439 6.413 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369368 VEEBAXCOHUYXPI-HKBQPEDESA-N 532.596 6.951 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)c(OCC)c2)cc1 101374628 SGAJAUXRPAGWIN-HKBQPEDESA-N 554.643 6.656 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc(C)c1Cl 101384368 MLYJREQOCHWQJI-WJOKGBTCSA-N 585.031 6.878 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384565 CGRYWACVSRDKJT-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389589 YJOZEBRYKRSXDK-UMSFTDKQSA-N 594.639 6.623 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 101396973 NYZXYTVAITYVPF-MUUNZHRXSA-N 543.019 7.401 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)sc2c1 101398746 MKLSRJLSKVOETE-GDLZYMKVSA-N 597.067 8.019 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 103878391 MZTAGCGZASYERS-FNTLCPBMSA-N 614.543 8.711 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 103884601 ZVPITEZNYYWUKO-NLRVBDNBSA-N 538.604 5.167 50 10 KKGE O=C(N/N=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1 150623026 VMTIJPUZPRMTRZ-IBBHUPRXSA-N 664.365 5.829 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 163313026 ZTNHMPDZBWYSPK-QQMJPZKZSA-N 642.328 5.701 50 10 KKGE C[Si](C)(O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O 199864180 GQWPUVYVTAUGJT-UHFFFAOYSA-N 685.410 5.420 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1F 214257468 IRARERWJQMJUKT-YPFLROGLSA-N 512.585 5.858 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 236061955 FHDSDOLHVHYAFW-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OCc1ccccc1 254557040 CQSCRDTVEHKSFB-ACFQPXEKSA-N 548.643 5.261 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccccc1OCc1ccc(C(=O)OC)cc1 254736599 PEAZBPSOGXBMLD-UHFFFAOYSA-N 550.784 8.764 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 504569493 DFUXHMHWOWANRY-XQNHKLAKSA-N 567.836 10.525 50 10 KKGE O=C1Cc2cc([C@H](Br)c3ccc(I)c(Br)c3)ccc2N1 721570798 BDEIBDQQVVZUGO-HNNXBMFYSA-N 506.963 5.033 50 10 KKGE COc1cccc2c1CC[C@@H]2NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237405 GCKXPIUQGXDWKY-CVDCTZTESA-N 522.976 5.892 50 10 KKGE CC(/C=C/c1ccccc1)=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 1083901410 KXUUGFRQJQSDQW-ARYUCQCYSA-N 509.679 6.130 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084011111 BUJOLOKFQRRHKH-UHFFFAOYSA-N 572.584 5.598 50 10 KKGE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1C 1084554350 WXMAZNPDZKCULK-QGOAFFKASA-N 539.257 5.016 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1084633235 RCNUDLYOLIRMIF-MFOYZWKCSA-N 536.242 7.824 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2cc(C)cc(C)c2)cc1OC 1084640338 CYJJHZFUTLCMRH-UHFFFAOYSA-N 609.148 5.727 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772745286 VTTFSTBOAZKCQN-UHFFFAOYSA-N 597.263 6.351 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc([N+](=O)[O-])c5)c(C)c43)coc2c1 1772751903 DSJKJBGVIAVQJI-UHFFFAOYSA-N 514.538 5.511 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\NC(=O)CCCCC(=O)N/N=C5\C=C6CC[C@H]7[C@@H](CC[C@@]8(C)[C@H](O)CC[C@H]78)[C@]6(C)CC5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 1848437149 HBNZKKFNVIXWRC-PTXBWTJUSA-N 715.036 8.139 50 10 KKGE CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C 1848441147 FTKPWAXKGSGMLD-SSTGQJTMSA-N 754.094 8.758 50 10 KKGE CCCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665428 HOLIBVBKAUVEFC-VSYNZKOMSA-N 563.705 9.893 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865687249 NAOKYCLMZZQFME-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688309 OZKIGSJVJSJXBR-OAQYLSRUSA-N 543.849 5.622 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865690798 BHGLZQXFMZJCHZ-RUZDIDTESA-N 510.981 5.984 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865691284 OMSKUZUQOFWDNI-GDLZYMKVSA-N 534.660 6.621 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865693523 KLTQIECFJANXEG-MUUNZHRXSA-N 541.051 6.343 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694328 WRSATDMDWFUOMQ-WJOKGBTCSA-N 554.650 6.713 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698261 OTGSVSBLXWTUFX-QFIPXVFZSA-N 575.866 6.063 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700754 CUVYYDWQKKHQOO-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703157 OGZZYHNRHUDBCM-XMMPIXPASA-N 550.968 6.709 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865706967 KEPNUNSQSXWIBI-LJAQVGFWSA-N 533.676 6.459 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C)c1-c1ccc(Br)cc1 1866126514 WTLSRBSEBPHWHM-QGOAFFKASA-N 525.424 6.217 50 10 KKGE CC(C)c1ccc([C@@H](C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866962955 YLHKDSVSNWYYAW-VMPREFPWSA-N 545.774 7.180 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)[C@@H](c2ccccc2)c2ccccc21 1868565949 RDENUZGLVXGVRD-HKBQPEDESA-N 540.696 7.743 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872744093 UYNMTDNFJTVEAS-FTRAKHFHSA-N 521.598 6.109 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1872757281 YMPRDFWOMTVWBX-CYVLTUHYSA-N 502.379 5.652 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940721 DVYWONBPLNNYTJ-LNVKXUELSA-N 512.478 5.608 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2c(Br)cccc2Br)C1 1901794469 LNGDFMUOBACIRM-KBPBESRZSA-N 561.052 5.151 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923065736 GZFPLUVDVCRXSX-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1c(Br)cccc1Br 1923070457 AUHMIYPFZSCDKI-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1Br 1924614549 PHVTZQSXNHIXBY-DTHBNOIPSA-N 549.992 8.078 50 10 KKGE Brc1cc([C@@H](Br)c2csc(Br)c2Br)sc1Br 1937734535 LCDLUOPFORGIAZ-LURJTMIESA-N 574.777 7.344 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C(F)(F)CBr)c1I 1951568067 PQUSJOOKZIPRKO-UHFFFAOYSA-N 713.864 6.334 50 10 KKGE CO[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H](COC(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)[C@H]1OP(OCCC#N)N(C(C)C)C(C)C 2037814285 SXHZMFOXECAZEF-NRSPFRICSA-N 749.018 10.035 50 10 KKGE CO[C@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284656 COZPKMWJQWILGD-JAGXHNFQSA-N 541.925 5.912 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCC2)c1Br 2135274961 ZSFRQCWZBSASCV-FXPVBKGRSA-N 535.965 7.688 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138856219 ZIOQWXXXHIRSKQ-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 2141469212 SVIGDJUKVZQNPE-GOSISDBHSA-N 668.843 8.800 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2141469952 XXYPVSZMEOOSFT-MREMCGJQSA-N 583.782 6.561 50 10 KKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470965 MMMOVALNQNLHRL-KNBVPPQFSA-N 584.766 6.988 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2141473334 NWBFFGQURYGIAZ-LBPRGKRZSA-N 598.774 7.291 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)cc1Br 2202903374 DELFEDHXNNYKNB-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400581 RLHDTDANKUEXCB-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE C[C@@H](Cl)c1nc2c(F)cc(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2232921511 SSWDCXKPICNBAA-LJQANCHMSA-N 542.880 6.709 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@@H]1C 2234057566 CFDGVYWCNCBTGB-KSMMKXTCSA-N 511.689 6.697 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1I 2256336985 QKERPNNOIMWBGF-CYBMUJFWSA-N 565.268 6.954 50 10 KKGE Cl[C@@H](c1cocc1Br)c1c(Br)c(Br)cc(Br)c1Br 2258117687 KVEUFBQYDDOWLR-NSHDSACASA-N 587.125 7.420 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cc(Br)sc1C 2295264284 DALVTDOXFJGAOP-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2297458613 KWRGMXJMBZTUJJ-JOCHJYFZSA-N 549.406 5.422 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(Br)cc1 2297558837 WVSCIAPOWIXFCZ-UHFFFAOYSA-N 545.355 6.991 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1 2313545809 HKNYVLJBBMOPAZ-UHFFFAOYSA-N 562.739 7.758 50 10 KKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c1 2314531817 FDLAWCUZHIIMQS-UHFFFAOYSA-N 507.333 5.348 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593536 OSNWUGDNPOLREW-NIYFSFCBSA-N 549.618 6.571 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314611474 UYHFCXXBDSLNNW-QFIPXVFZSA-N 560.629 6.648 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314611518 WEVRKCYZLOKCJH-UHFFFAOYSA-N 528.612 6.119 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617417 XYJMSWWYFJXLPL-UHFFFAOYSA-N 574.637 5.400 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314618115 HNIWDTQFEXOVMW-UHFFFAOYSA-N 545.668 6.229 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 2314618432 NMYYOUOKZBKFEZ-UHFFFAOYSA-N 527.584 5.292 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1ccc(F)c(Br)c1 2316724248 JRCHPASBNIWZCO-MRVPVSSYSA-N 505.805 5.331 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1cccc(Cl)c1 2321721447 IRTUCSTVGLMMEU-FQEVSTJZSA-N 502.011 5.025 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 2331371871 MLMMPZFUUSJSRW-UHFFFAOYSA-N 521.598 6.182 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373213 MYSIIALQOZHRHF-INIZCTEOSA-N 510.015 5.943 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 2331473673 SQAPQRCWAOQDJJ-UHFFFAOYSA-N 506.668 7.639 50 10 KKGE Fc1cc(F)c(CBr)c(OCc2cc(I)ccc2Br)c1 2367520563 VVDUALSDBIGMFD-UHFFFAOYSA-N 517.933 5.806 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790751 KEPOQZKEVLMGSN-SCIJIFGBSA-N 573.299 6.821 50 10 KKGE C/C(=N/NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 4779894 IVSAOYOKGQGAQG-PDULDMAZSA-N 577.710 5.644 50 10 KKGE C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 12364848 IQGOVVNWRMCMOQ-HRJIBFCWSA-N 502.412 6.132 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC 33763842 DUIGPBXNIMPHFR-BKUYFWCQSA-N 510.059 6.901 50 10 KKGE CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 33766124 NUQCGXPIIBIAEK-STZFKDTASA-N 517.416 6.468 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38606022 DNXYDCARUCPBKB-BUVRLJJBSA-N 512.993 6.110 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 38654249 HLQQCXFEMIUEMB-MUUNZHRXSA-N 503.514 5.550 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38660065 WNHKWXZVPSZJRS-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1NC(c1ccccc1)c1ccccc1 40783675 ZZFRRJJHOLULMO-UHFFFAOYSA-N 500.606 5.536 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 58890615 SXXCDRROCYYVAY-LIWTUZSWSA-N 516.041 6.290 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1 58895577 FAXAEFXYYLJZCU-VNIQIGACSA-N 511.416 5.391 50 10 KKGE O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)c1cc(Br)ccc1OCCc1ccccc1 100207329 QYRJBCAQQNCPLQ-UHFFFAOYSA-N 588.527 5.538 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1 100236370 MECKVZJMMAWZBV-RDNGQCRJSA-N 595.921 7.197 50 10 KKGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100258717 UPEMWTLIRJLBAE-IBGZPJMESA-N 546.693 5.363 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 100452655 FJQLMTXJPXKSMX-ZZXJHYAVSA-N 551.868 6.799 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1Br)[C@@H]2Br 100848507 MDUTUZBCWBAWFD-RLCCDNCMSA-N 603.931 5.982 50 10 KKGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(OCc4ccccc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1OC 100849371 RVUWMNWGHHMAMF-HKBQPEDESA-N 614.098 5.876 50 10 KKGE CC(C)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101243239 INFFHFSXRAXTPR-SXVKILDJSA-N 537.729 7.237 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244629 NKPJGMPBPNUAGF-HVBJHMBASA-N 557.981 6.432 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 101304936 JYPWGDXXPHGSTL-NDZAJKAJSA-N 570.649 6.214 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101332797 CQBNJBGNFUVDGN-VUTHCHCSSA-N 542.639 6.429 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337428 OQPBXWGHUBRIMM-QZLJHNFXSA-N 549.030 6.555 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C2=O)cc1 101340118 URFZJFUGIATNKA-NDZAJKAJSA-N 556.666 6.308 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367546 MHAOYKFLFYVCQS-NHOCJEJCSA-N 590.676 6.989 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 101368024 BCWLRZQDAAEKDI-MHZLTWQESA-N 529.549 5.610 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 101368159 JJFPUJKTANCXRI-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 101375369 HQMXJZQRHOUJMN-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCCCC)cc2)cc1 101377936 ORSHVIDGOLJZCH-WJOKGBTCSA-N 538.644 7.038 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379521 RKEQDGMTMIOYOE-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383477 DDODHGHUBYDYQW-KATKFWMUSA-N 595.095 7.633 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 101388834 YNJMBBOUGQQNTG-PMERELPUSA-N 615.455 7.003 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(F)cc1 101389635 QFMNHIOTUIZXHL-MGBGTMOVSA-N 615.057 6.968 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(Cl)c1 101391097 ICEWQKPBWSKYES-FQEVSTJZSA-N 527.816 7.299 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 101603422 QTPNQFSPVRYPSW-DFKUXCBWSA-N 528.436 6.796 50 10 KKGE CCCCCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 101651636 IFILVAPYZWIVGI-PMACEKPBSA-N 511.254 6.262 50 10 KKGE ICN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103749965 OPGMQNYFNRUSJZ-ISLYRVAYSA-N 588.956 5.794 50 10 KKGE CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806520 LPKQQQZNQYJQGM-MEEHZYKNSA-N 565.677 5.676 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1ccc(Cl)cc1Cl 104991954 JVENKJIIAHIFMD-OOAXWGSJSA-N 521.173 5.576 50 10 KKGE O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 114637231 MCEDOKUQJYNLKR-UHFFFAOYSA-N 532.524 6.397 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150481622 HTQGZSJMSVBCJS-DEOSSOPVSA-N 684.831 9.505 50 10 KKGE Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CN(C)CCN(C)C(=O)CCSSCCC(=O)N(C)CCN(C)Cc1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 150654976 IOTZAFHOGRWAKS-UHFFFAOYSA-N 831.070 7.885 50 10 KKGE Brc1cc([C@H](Br)c2csc3c(Br)cccc23)sc1Br 163400207 GMSBCAGHSZSDER-LLVKDONJSA-N 545.941 7.735 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 197836303 DCXPEEHUWMFHJD-NDENLUEZSA-N 501.922 5.812 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206685332 CLQQHNBTPCNCMJ-UBTGZDJRSA-N 528.605 6.089 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214285766 IFNFKNZJLLMKPO-CEUNXORHSA-N 544.611 5.357 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 214373744 AKTOITPGVCJMEW-XHPQRKPJSA-N 560.691 6.287 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H](CC#C[Si](C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 223400378 SZPDHQSVEIXPNO-SANMLTNESA-N 524.970 7.224 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)C(Cl)Cl)CC[C@@]34C)[C@@H]12 254770482 FFSDQBPIYFOSQY-HDRHPSSPSA-N 539.672 9.459 50 10 KKGE COc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 254843565 BCXJXOWLWUGUBY-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254874634 PDSFNJWJUYIXSM-JNRPXVDXSA-N 612.436 5.318 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)cc1OC 254898953 YOZJILOVYQSXAI-UHFFFAOYSA-N 588.708 7.331 50 10 KKGE C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3CC[C@@H]3C(Cl)(Cl)[C@H](Cl)CC[C@@]31C)[C@]2(C)O 504182158 ODWXWMUBXIPATR-QXEVBMGISA-N 502.998 6.738 50 10 KKGE biogenic BrCc1cc(Br)cc(Br)c1OCc1ncc(Br)s1 713718779 WNSBMMYRXDZKEM-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 1083908271 CWFILFRWNXOMGJ-UHFFFAOYSA-N 524.411 6.231 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2cc(Cl)ccc2OC)cc1OC 1083991719 CBGWFKKDAUKBHR-UHFFFAOYSA-N 701.585 5.382 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc2c3c(cccc13)CC2 1084029970 SPXKACOOILHUIS-UHFFFAOYSA-N 563.679 5.587 50 10 KKGE Cc1ccc(NCCCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 1084328700 HYSHCPRBIOUKFM-UHFFFAOYSA-N 554.783 7.303 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)C12CC3CC(CC(C3)C1)C2 1084609236 PEHZBTITHRYUPA-UHFFFAOYSA-N 604.562 5.481 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 1084613219 OWGQWDPTVNWJAE-UHFFFAOYSA-N 582.473 7.697 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccccc1Cl 1772754662 ODRHDEATKPSNBL-UHFFFAOYSA-N 500.982 6.124 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865690421 QRVZVQOASBTYCM-HXUWFJFHSA-N 502.924 6.001 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865691887 DGBDWCONWDNCEJ-XMMPIXPASA-N 571.903 6.452 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccccc3Cl)cc2)cc1 1865693139 MEHLOUBRQHGXIY-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccccc3Cl)cc2)cc1 1865693409 OBNQJOPWYMWWEU-XMMPIXPASA-N 550.968 6.709 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703650 XZMBHNSOARCFBH-JOCHJYFZSA-N 512.532 5.816 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704981 JLCFRQSLUMGGAX-VWLOTQADSA-N 510.981 5.585 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705299 QSAHOXHKGVPTCM-QFIPXVFZSA-N 534.469 5.527 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705808 GLEHXYVVXHSZMK-AREMUKBSSA-N 508.578 5.156 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706265 ROVBKNVHQMWART-XMMPIXPASA-N 514.969 5.193 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865706672 CFHIFKIFOOTMMW-DEOSSOPVSA-N 569.584 5.064 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866668219 BETGXURXDPPYEV-VWLOTQADSA-N 517.010 5.915 50 10 KKGE CN1CCN(CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c2ccccc2Cl)CC1 1868456838 UTFAQFNQHGIAOV-UHFFFAOYSA-N 574.129 6.638 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C/c2cc(Br)cc(Br)c2O)n1 1872792460 AIDPHZPISDSVDN-MKMNVTDBSA-N 520.246 6.730 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cnsc1Br 1900430924 CDLNAIKMFXXWQF-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE FC(F)(F)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781626 HWPLSNHPBIRJHS-YFKPBYRVSA-N 524.194 6.969 50 10 KKGE Cc1cccc(C)c1P(c1cccc2c1[C@]1(CCc3cccc(NCCSc4ccccc4)c31)CC2)c1c(C)cccc1C 2059557927 JILRHNLZJKMBGY-VQJSHJPSSA-N 611.835 9.061 50 10 KKGE Cl[C@@H](c1cc(Br)sn1)c1c(Br)c(Br)cc(Br)c1Br 2085497277 ZYGYURIGNUCYEH-JTQLQIEISA-N 604.181 7.284 50 10 KKGE FC1(F)C[C@]12CC[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2099916673 UZULEIPSAXNUBB-DGVCYOPGSA-N 543.891 7.297 50 10 KKGE CC(C)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123254778 PORXUJQJTQECKN-CQSZACIVSA-N 507.263 5.719 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC2(CC2)C1 2141467960 FIIPAKDGIFOOSH-FUXBKTLASA-N 536.327 7.597 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(Br)c1 2142288816 MPHLPZTZVWUEQX-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE FCCOc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2189516754 DWBHAASWLAHESX-SNVBAGLBSA-N 551.895 6.868 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397820 NCXMOHCDTILNKF-ZDUSSCGKSA-N 676.060 8.637 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2232223432 PHMJMUFEDZTUTQ-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232513782 RTFRWTKMJWNBLW-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Br)cc2Br)cc1Br 2258103466 LKAUIQQXQSDZRX-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(C3CCC3)s2)ccc1I 2271956335 PXLXWVNDWMQXRV-OAHLLOKOSA-N 512.048 6.867 50 10 KKGE Cc1ccc(I)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277954650 FHEYLTZOULFOAQ-CQSZACIVSA-N 558.877 6.803 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)cccc2Br)c(Br)c1Cl 2283553344 KIGMIFFRFNDVDU-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293198330 VBTKEAZJMGCWOW-JOCHJYFZSA-N 591.289 6.960 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1Cl 2295163768 KGYUHHRMHWPVTG-UHFFFAOYSA-N 511.803 5.913 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 2296495440 BXMJTFIOMJGWAE-UHFFFAOYSA-N 525.424 6.372 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C(=O)OCC)cc3)N(c3ccccc3)C2=O)cc1 2296834380 DKCPZYKAAGGIEI-SANMLTNESA-N 569.639 5.105 50 10 KKGE Clc1cc(I)c([C@@H](Br)Cc2cccc(Br)c2)s1 2300954088 SCDGQERJRFLEEK-VIFPVBQESA-N 506.428 6.447 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518850 WPGGZEQASOIGHQ-UHFFFAOYSA-N 568.092 8.170 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1 2313631454 QIVPCTFDNOXROM-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)CC1 2314476835 WSCVGMKALCORRI-UHFFFAOYSA-N 565.699 5.183 50 10 KKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2ccc(I)cc2)cs1 2314489163 PBVOTPAUFKXZCC-UHFFFAOYSA-N 549.220 8.046 50 10 KKGE N#CC(=Cc1c(Oc2ccccc2Cl)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2314533877 UKVLKJQUCUMCDT-UHFFFAOYSA-N 510.859 5.705 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@H](CC)C2 2314571676 JZOMXZOZWWSRNF-INIZCTEOSA-N 519.579 6.154 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C)c(C)c1 2314591901 HGCXMBOZFANHFN-RUZDIDTESA-N 501.583 5.516 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314610184 DPFYXGSEWCVOPG-UHFFFAOYSA-N 611.101 7.564 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1Br 2314616587 FEENRWYPRNURAB-UHFFFAOYSA-N 623.463 5.832 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 2314617055 PXYQBCGHFHUHDI-UHFFFAOYSA-N 630.745 6.879 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314619536 ARFXDPPPAPBWSB-UHFFFAOYSA-N 547.438 6.764 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314620395 PDJCETWWRAKYMN-UHFFFAOYSA-N 663.536 8.357 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643310 PSPHAVRJUUFPLU-HKBQPEDESA-N 603.889 8.063 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)co2)c1Br 2315446748 WWSIWFHAJSIMAT-VIFPVBQESA-N 526.219 6.844 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(Br)c(OC)c(OC)c3)n2)cc1C 2331259285 LAPDGUQUMAXDDI-UHFFFAOYSA-N 513.413 6.413 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C)c(C)c5)cs4)cc3C2=O)c1 2331382143 ATQCSTQHZCMQFU-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(Br)c1OC(C)C 2331453447 UQTFPMRWZTYMIH-UHFFFAOYSA-N 511.485 7.730 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc3c(s2)CCSC3)c1 2336074635 IHYNVCAZPKLFEZ-NRFANRHFSA-N 510.316 7.363 50 10 KKGE BrCc1cccc(Br)c1OCc1ccc(I)c(Br)c1 2349808288 OSPKAVSYKXORJR-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE COC1(C(F)(F)F)CC([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361200407 JIECNBLZKZTEBT-PJOPYLDSSA-N 508.172 6.822 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(C)cc(Br)c(F)c1Br 2365186561 ROJWVWAHPOYYTF-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE COc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2365839541 BITRJRUDOADRPG-VIFPVBQESA-N 527.862 7.212 50 10 KKGE Fc1cc(Br)cc(OCc2cc(I)ccc2Br)c1CBr 2367517240 JWULAYZJCPNYMY-UHFFFAOYSA-N 578.839 6.429 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 33930257 OPZBFTBNWVBGHL-GHXNOFRVSA-N 507.127 6.470 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446149 QFVFCWACGVZHJP-ITYLOYPMSA-N 506.606 5.486 50 10 KKGE Cc1c(C(=O)N(C)Cc2ccccc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815573 ZDGNQZUTJWRGAG-MHTZHOPKSA-N 505.618 5.849 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 40866783 CNJADHPJOLEXOM-XSFVSMFZSA-N 506.584 6.232 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Cl)cc1Cl 59233022 QXBMCWCEQOFBFO-STZFKDTASA-N 503.385 7.280 50 10 KKGE CC1(C)[C@@H](Br)[C@](C)(Br)c2cc(Br)ccc2N1Cc1ccccc1 59500814 RXSOYNGXCLSJBR-IEBWSBKVSA-N 502.088 6.622 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@H](C)C2 97442230 RSIVSABVZOHYEN-SUCHYCSPSA-N 505.552 5.763 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 100141867 WMARWYNWQJQEON-UHFFFAOYSA-N 532.666 5.156 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227669 JLGKXKWEAMOVFP-VCHYOVAHSA-N 603.800 6.376 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)cc1 100233638 XZYZSZKTWIBQFN-WUKQQSQZSA-N 569.496 6.098 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 100238064 DJPYUJCAKDOWPS-VGBOAXCZSA-N 547.608 5.274 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 100452582 BQWXTKRNTJCLAB-MGCJZSHXSA-N 536.253 6.299 50 10 KKGE COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 101115412 SSENQDPGCNDPNP-LGMDPLHJSA-N 531.366 5.112 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245411 BONNJHIABHZPAD-IEQIIXMPSA-N 502.039 6.276 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101307214 HUARYVMPTQBPJY-NDEPHWFRSA-N 532.980 5.424 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101338064 BMLHXGPJNDPOOM-OVVQPSECSA-N 546.602 5.912 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)c1 101373727 REKVPCKJCCFWQY-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101374889 HHHVHAYCOLRFRG-PMERELPUSA-N 563.050 6.366 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCCC(C)C 101375225 SBOGJICPIWQQDR-PMERELPUSA-N 563.050 6.366 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCCCC)cc2)cc1 101377940 ORSHVIDGOLJZCH-HKBQPEDESA-N 538.644 7.038 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379053 GGEBFFYLIZJJKG-HKBQPEDESA-N 569.013 6.130 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(C)cc2)c1 101382490 GOCAMKWFSCMQSX-XIFFEERXSA-N 560.650 7.190 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387629 JFNFJMFURYQYLY-UUWRZZSWSA-N 588.704 7.708 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388381 CWIZWUARZFATLA-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 101394308 RFCORMQQSMHZOS-IBGZPJMESA-N 562.261 7.952 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614928 UHAFWVZJYHXUBF-VNTWQREPSA-N 548.242 6.137 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101726950 XNUHLUZTWCKSHB-MZJWZYIUSA-N 538.492 6.394 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(C)c1 101727409 GCSOMEXYGJEYDH-IPPBACCNSA-N 538.094 6.602 50 10 KKGE CCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 101727508 PPBGWSZXZOTRGM-UVHMKAGCSA-N 582.973 7.046 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 102347541 NKRJGZMJTZLWNJ-BKUYFWCQSA-N 545.064 6.769 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 103797107 WBZSGBNUKSLKOK-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 103876739 NREPUBZMXFLXMR-NNLKUIAGSA-N 599.687 7.261 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1 103879143 SGWCXJOMLIVYIQ-CCVNUDIWSA-N 584.366 5.477 50 10 KKGE O=C1OC(=O)c2cc(Oc3cccc(N4C(=O)c5c(Br)ccc(Br)c5C4=O)c3)ccc21 105681953 OSILSKMAQYSHFS-UHFFFAOYSA-N 543.123 5.115 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921064 LMCNYCSDWPLKPZ-QDKAACNBSA-N 505.227 9.203 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 150462678 JOWPRDSPMKLVNS-AVQONUNLSA-N 632.742 5.553 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 150463920 LUNUDPIDMLDNKC-PMERELPUSA-N 651.930 8.070 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150476988 JDADTGAHXJRFOT-HXUWFJFHSA-N 626.707 7.721 50 10 KKGE CN(C)[P@](=O)(Cl)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 162439672 HRNHOEBQNIMEGD-XDCCQVKXSA-N 722.186 7.195 50 10 KKGE Cc1ccc(COc2ccc(/C=C\C(=O)Oc3ccc(/C=C(/C#N)C(=O)NCc4ccco4)cc3)cc2)cc1 206745401 AKQOEYFSYQNJTG-XRPCVHBZSA-N 518.569 6.009 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214242723 NBHQFINOKHJCBM-YQYKVWLJSA-N 588.683 7.430 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1C 214256280 LUVWVOVUPNSDEV-XOASYVKCSA-N 508.622 6.027 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 233778704 GXMAFQZJSBOZRL-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE O=C(CCCCC(=O)NN=C/C(Br)=C\c1ccccc1)NN=C/C(Br)=C\c1ccccc1 252616389 KADANKCNZXXABG-CHQUHQPQSA-N 560.290 5.623 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254378092 BTJXKPWIEYQFEP-UHFFFAOYSA-N 508.574 5.891 50 10 KKGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1 254511961 DGJQFWDLAQYKDF-UHFFFAOYSA-N 536.495 5.840 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254525599 UYCZYVPKDTUVPW-XIJSTVEOSA-N 732.248 7.176 50 10 KKGE COc1ccc(C=NNC(=O)C(NC(=O)c2ccccc2)=C(C)C)cc1COc1ccc(C(=O)OCC(C)C)cc1 254606670 ILVUUPVWXUMNHF-UHFFFAOYSA-N 557.647 5.261 50 10 KKGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)cc2OC)c1 254773440 BEXMWFXCNOJJQK-UHFFFAOYSA-N 546.664 6.166 50 10 KKGE CCCCCOc1ccc(C(C)=NNC(=O)CSc2c([N+](=O)[O-])nc(C)n2Cc2ccccc2)cc1 254868023 IWSQPCYTQNRDFO-UHFFFAOYSA-N 509.632 5.350 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccc2ccccc12 254879709 MXFPWTCYBNOJQE-UHFFFAOYSA-N 544.607 6.654 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254905167 HVLZGIYYUCQMIM-ZANUJXICSA-N 518.617 5.253 50 10 KKGE O=C(CCCCCCCCC(=O)N(Cc1ccc(O)cc1)/N=C/c1ccc(O)cc1)N(Cc1ccc(O)cc1)/N=C/c1ccc(O)cc1 514269333 AHGCYMURVCYFAL-YXTVXKGXSA-N 650.776 7.055 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)c2ccccc2N1 616683912 JWWDDACSJVORDR-HHHXNRCGSA-N 526.914 8.246 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(CCBr)Cc1ccccc1 721577735 MNXUUEKZKJKIJP-UHFFFAOYSA-N 523.006 5.091 50 10 KKGE CC(=O)Oc1ccc(-c2ccc(C=NNC(=O)N[C@@]34C[C@H]5C[C@@H](C3)C[C@](c3ccc(C)cc3)(C5)C4)cc2)cc1 725387830 ONQDCKYXKQMHNO-ZAIIWXDFSA-N 521.661 6.511 50 10 KKGE CCOc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 725422338 SDWFOHAQBOCPAC-UHFFFAOYSA-N 572.731 5.185 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC 725427623 RNUJSECYHGOYKD-UHFFFAOYSA-N 680.010 6.426 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 1081167950 XFTSRYCWWQCJIV-XXSMREGWSA-N 500.727 7.723 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 1083849886 KTFYETPPXUMBRC-XMMPIXPASA-N 572.443 5.541 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1083896212 KNGHVPXGWZXLCJ-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 1084221703 YIGPSRSNDIAGLC-XMMPIXPASA-N 546.407 5.843 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1084320242 AKUBVWXXJZBQIM-LJAQVGFWSA-N 652.529 6.785 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084332963 BRWFBJZBOPRLGF-HHHXNRCGSA-N 517.582 5.265 50 10 KKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc(Br)ccc1O 1084366739 PZFOSKPTWMCZHG-UHFFFAOYSA-N 526.390 5.425 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084472089 GDEVEYBBCBGOSI-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 1084637376 YOHJICHVKFAUPF-UHFFFAOYSA-N 550.442 6.465 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCCc1ccccc1 1865687867 BYWJYLOOYRHDPB-XMMPIXPASA-N 532.522 5.739 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688591 VXXFNAVZFHFQLS-SSEXGKCCSA-N 552.650 6.527 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865689008 HMKQFRLBXWAQGN-AREMUKBSSA-N 508.578 5.563 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865689280 OKKKIQDLDOMFIA-NRFANRHFSA-N 567.395 6.670 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OCC 1865691388 QQLOGMJBICYSDG-MUUNZHRXSA-N 508.622 6.384 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695172 LUHSLYXKQSBXRX-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1OC 1865700753 CSRFRTKPOUOBAX-QHCPKHFHSA-N 533.415 6.141 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701436 VPMNOHSYUCHLOP-RUZDIDTESA-N 551.861 7.192 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1C 1865702447 AMCSLEOVMQDVPG-SANMLTNESA-N 578.566 6.594 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865702921 IFDQXDLQIGAZLU-SANMLTNESA-N 555.506 6.994 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703591 CBXRRHMHBOERMC-LJAQVGFWSA-N 539.079 6.951 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704212 QFNDKTNSXXMCSB-GDLZYMKVSA-N 512.613 6.910 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715031 UCDZCWUJERKCTN-QHCPKHFHSA-N 529.940 5.092 50 10 KKGE C[C@@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865889603 NDFSRTSBWOYVLF-ZETCQYMHSA-N 854.971 5.301 50 10 KKGE CCc1ccc(/C(C)=C/C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866684488 RTSCLZNBJYKRJM-WRINRREJSA-N 515.704 6.282 50 10 KKGE Cc1ccc(C(=O)CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867096768 GNRSWSSZGXUOOC-VWLOTQADSA-N 503.599 5.345 50 10 KKGE COc1ccc([C@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867215087 URZIESQPKVHTQM-HSZRJFAPSA-N 521.614 5.472 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CC2)c1 1868300594 FUXUXRJOTDTMNE-UHFFFAOYSA-N 521.690 7.379 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN([C@@H](C)c4cccs4)CC3)n2)cc1 1868320799 OAIKYZYMOLWOQR-NRFANRHFSA-N 512.708 6.714 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)nc(O)c2cc1OC 1872727695 TZPYJUUEEAUYIJ-CAOOACKPSA-N 508.361 6.303 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 1872750528 GLEOVRJHNFEDES-RFBIWTDZSA-N 519.626 6.854 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1 1872756089 RCABQVCIVTYPMR-XDOYNYLZSA-N 502.552 5.513 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1C 1872756297 HDQFBIMRMLAILM-QVTSOHHYSA-N 515.638 7.887 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c(C)c1 1872757020 MMRIOYDAPSCBQS-COOPMVRXSA-N 519.626 7.103 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@@H]2C3)c1Br 1909844955 NWOOQTGKYPKWMB-PUQNFTFYSA-N 507.911 7.052 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)c(Br)s1 1916375547 WQXNMJRCNMLNTJ-GFCCVEGCSA-N 526.088 5.325 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923038198 HTQCOJXXPHXEQF-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@H](Br)CF)c1I 1952036523 IERPGHKUFVEBAB-ZCFIWIBFSA-N 695.874 6.253 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(I)sn2)c1Br 1983293314 RVEFOAOAYNGQLL-SSDOTTSWSA-N 513.445 5.971 50 10 KKGE C[C@]1(CI)CC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167350 VNGHPZXZCLMYEW-JYFHCDHNSA-N 514.403 6.890 50 10 KKGE C=CCNc1sc(C(=O)C(C#N)=C2Nc3ccccc3S2)c(N)c1C(=O)Nc1ccc(Cl)cc1 2053612491 ILFHJTOIOKHEGR-UHFFFAOYSA-N 508.028 5.970 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc(CC3CC3)s2)c1 2087640113 PGZZUDZLXOPGHV-OAHLLOKOSA-N 512.048 6.552 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 2097834930 OULOWSNEWLXRSX-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE Cc1c(CCl)c(Oc2c(I)cc(Cl)cc2I)nn1C 2131580533 LJQWYWKAWAUSEK-UHFFFAOYSA-N 522.939 5.122 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2136384508 QKZCJHDYJYIIJC-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE BrCC(CBr)(Cc1cc(Br)sn1)c1ccccc1Br 2139780196 NGKWLMOFHXRZJC-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE CC(C)(C)[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470085 YNHFNXYRKFMRDZ-NFNXHLSSSA-N 538.343 7.699 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)oc1C 2141472887 JDFGUEFPLFBKHN-ZDUSSCGKSA-N 580.734 7.431 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1c(Br)cc(Br)cc1Br)C[C@H]2Br 2173613985 AIUNMLGFMGOZMW-IRTPTFBHSA-N 531.908 6.695 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2csc(I)c2)c(Cl)c1Cl 2217617852 KFJJOPRTNZMGCC-VIFPVBQESA-N 561.291 7.560 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sncc2Br)c(C)c1Br 2220153037 UAYCWTAQNAJJKR-NSHDSACASA-N 518.894 6.532 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2I)c(C)c1Cl 2224317467 NUUXHTSOKQZSOO-AWEZNQCLSA-N 514.426 6.808 50 10 KKGE C[C@H]1CN(Cc2ccccc2)C[C@H]1n1c(CCCl)nc2cc(Br)c(Br)cc21 2234063586 BYLHKHTZATWGJI-VBKZILBWSA-N 511.689 6.036 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2246467408 WYYRBHWEAQGMNB-BYPYZUCNSA-N 564.771 7.888 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1csc(Br)c1Br 2263624274 UQGBIBTYZYRMCN-SNVBAGLBSA-N 507.519 7.640 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2285080677 VPAAMMLCOWOZSS-ZDUSSCGKSA-N 503.481 6.989 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198391 FSILSWCGKGEONO-JOCHJYFZSA-N 583.305 6.277 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 2296500322 HDGJPLJAYZGFHQ-UHFFFAOYSA-N 518.635 6.715 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O 2297450832 XWFDYMRTSZTEIP-UHFFFAOYSA-N 538.113 6.623 50 10 KKGE Cc1ccc(C(=O)N=c2[nH]nc(S(=O)(=O)C(C#N)=Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)s2)cc1 2297451245 NQJBVXRQQFJUFQ-UHFFFAOYSA-N 566.668 5.020 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Cl)cc2)cc1 2297458603 JQPUNENORBBQGP-QHCPKHFHSA-N 518.982 5.622 50 10 KKGE FC1(F)CC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2299032616 LCEKYRAAZSTTDT-WHFBIAKZSA-N 517.853 6.907 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1sc(Cl)cc1I 2301079469 UNXHAWQABPCYEP-JTQLQIEISA-N 512.940 6.078 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313555862 BBZDGXDOXPQYKD-UHFFFAOYSA-N 718.289 6.130 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313568020 NSNUPQNVAXEMOC-UHFFFAOYSA-N 593.248 7.040 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592510 VXIUXPVKZVDXHN-HSZRJFAPSA-N 524.429 6.067 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314616580 FBLJUYSMSWEYJE-UHFFFAOYSA-N 588.733 7.233 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634643 SMFHMCZCOJOXFJ-PMERELPUSA-N 545.035 6.755 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1csc(I)c1 2317423808 QKNORQKXJFHLOR-LLVKDONJSA-N 524.418 6.653 50 10 KKGE Clc1ccc(I)cc1CC(CBr)(CBr)C1CCC1 2327421953 ZEMSSBXNHDQUMH-UHFFFAOYSA-N 506.447 6.063 50 10 KKGE CC(C)(C)c1ccc(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331332724 CAEFTIAWJPKTBZ-UHFFFAOYSA-N 502.552 5.495 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1OC 2331347093 VAAYGBCCWOVHRG-UHFFFAOYSA-N 508.397 6.577 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 2331480910 OVAKBZTZVSIDHT-UHFFFAOYSA-N 517.050 7.822 50 10 KKGE Brc1ccc(I)cc1COC1(CI)CCCCCC1 2341837791 MPBHWPFNBUDFLG-UHFFFAOYSA-N 549.028 6.098 50 10 KKGE Cl[C@@H](CCc1ccc(I)c(Br)c1)c1ccccc1Br 2349855415 QUOZYHOPYPHPTL-AWEZNQCLSA-N 514.426 6.729 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(Br)c1OCc1ccccc1Cl 2946239 GRZAHOBKZXNBCG-XODNFHPESA-N 563.832 5.480 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 38603782 YTORLAXEXZAKNM-TURZUDJPSA-N 522.649 6.419 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650943 RVOONWVEUNACHF-WJOKGBTCSA-N 518.569 5.640 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 38684618 IHZXGRVKTGTNGK-DEOSSOPVSA-N 503.898 5.250 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686466 MUQKRESQDOSWGT-SSEXGKCCSA-N 522.532 5.607 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 59335263 WZMGTRFPWVGEHB-IUXPMGMMSA-N 506.216 7.733 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)CCl)cc1OC 97914589 NHSVVRCYZUIXLF-HHHXNRCGSA-N 517.066 5.250 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100193793 GPBJNFMTVOUXTN-UHFFFAOYSA-N 611.562 5.737 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Br)cc2)cs1 101034348 NVIZWYIYPYZWKW-GZTJUZNOSA-N 523.437 6.111 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244857 BMIVVUZRZGSYCR-FYAMCCBRSA-N 522.457 6.675 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1Cl 101332824 LYKUNMIGZFLTDW-HZHRSRAPSA-N 515.013 5.984 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101339512 YTSJQHSUCCQOQF-KEIPNQJHSA-N 590.683 7.219 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1 101367481 AFHLVAOSVVRTKY-XIFFEERXSA-N 562.622 6.094 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380522 IQUMJJXZDWQERK-MNAQKMTRSA-N 564.613 6.558 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381349 NTKHXKIIGKKMMK-VTLMBFNKSA-N 629.540 8.287 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384820 FYYPGJMYQAVJIL-VPTFNQTCSA-N 605.449 7.303 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385802 VFOMVYYOHVCVPT-RQZFFVEVSA-N 601.030 6.658 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389780 RGLCATPSGZNSAL-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390929 USIKJFCWSBCXRR-PMERELPUSA-N 601.486 7.799 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCC(C)C 101395550 URYPAOYZXSESLX-MUUNZHRXSA-N 559.018 6.875 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 101607057 YLWOXCVGXDBEAF-QCKNELIISA-N 537.576 5.379 50 10 KKGE CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102103530 SCMGSAAKDFVODF-QVIHXGFCSA-N 522.585 5.668 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 102122520 WRUFOXMXKOKLQP-SYZHZDJPSA-N 612.042 5.455 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 102685502 UCVBISFKEZDKNY-VBKFSLOCSA-N 521.360 5.656 50 10 KKGE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 103881003 JCGRZDBYPYBRFF-QXUDOOCXSA-N 530.628 6.631 50 10 KKGE CCOCc1cc(CBr)ccc1-c1ccccc1S(=O)(=O)N(COC)c1noc(C)c1C 114045606 UWFXMARRGOQKSL-UHFFFAOYSA-N 523.449 5.189 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150428091 DUQBDOYVDGXGQB-UHFFFAOYSA-N 878.166 6.723 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 195888247 MHNHIGWCUNOEFZ-IZDBAANZSA-N 578.822 7.136 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 205779475 FXYCWSNWFSYIIE-VMCVTNGESA-N 640.721 5.618 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C\c1ccc(OCC)c(OC)c1 207131892 XUICNTZZVDBGMQ-MOSHPQCFSA-N 504.608 6.162 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214272189 DAKNYBARJHFUTQ-QRQIAZFYSA-N 536.676 6.521 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214346260 VPOAJWSCSRBAHI-GTWSWNCMSA-N 556.666 6.409 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214348247 QZEUGULNILWIIP-XSVYLIDLSA-N 590.683 6.953 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214428249 WIZHLSANNQQFOE-GTWSWNCMSA-N 586.648 5.664 50 10 KKGE COCCOc1ccc([C@H](Br)c2cccc(I)c2)cc1Br 229016064 MCXHZBCBKVNUOR-MRXNPFEDSA-N 526.006 5.563 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)sc3Br)c(Cl)cc2N1 236077924 ZRUQPAMWUARLGH-GFCCVEGCSA-N 500.437 5.905 50 10 KKGE COc1ccc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 254346333 DSUPQQGZZGYYTG-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccccc2)cc1OC 254381688 VIOBYUVXHGEIBE-UHFFFAOYSA-N 553.640 5.356 50 10 KKGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1 254840782 HUTWLMFIWYBIKU-UHFFFAOYSA-N 728.235 6.592 50 10 KKGE COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N@@+]1(c1ccccc1OCCBr)CC2 256434769 NPSIQLUTTDUDNB-QXNWPYRLSA-N 555.489 5.856 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cn(-c2ccccc2)nc1-c1ccccc1 263630458 VXFMDLNXLPXAOI-UHFFFAOYSA-N 548.606 6.902 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)s2)C1 382733956 VYSCJBYEEGVLML-ZIAGYGMSSA-N 506.203 5.298 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2I)cc1Br 721690243 CPNOLJQSGLWOSS-CYBMUJFWSA-N 562.840 6.748 50 10 KKGE CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1 725237949 ASNPTVLUPHXJPW-RDGATRHJSA-N 594.055 5.950 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C)cc1 1084069354 GNKROIFDLFMLMA-GDLZYMKVSA-N 530.665 6.064 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 1084096848 BJKJZIAYTGWOJC-UHFFFAOYSA-N 523.814 6.920 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1 1084299023 RCWSXOSYALYNPL-UHFFFAOYSA-N 540.357 5.779 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084514596 CMYDQWOMNPFNNA-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Cl)cc1Cl 1084549905 VUCMWMKGIVZYHG-SXGWCWSVSA-N 522.215 7.433 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084636083 JLHCYXNNQADLNV-OVCLIPMQSA-N 662.536 8.139 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)CCCCCNC(=O)c2ccccc2Br)c2cc(C)ccc21 1772720292 HXXJWELSCJXPIS-UHFFFAOYSA-N 541.490 5.105 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(Br)c1OC 1772754591 ZJOAVJODGQWDLP-UHFFFAOYSA-N 511.416 5.321 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1F 1772755032 HZXIQDBERHOFCD-UHFFFAOYSA-N 542.057 6.433 50 10 KKGE CCCOc1ccc(Br)cc1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772755070 KNDBMMCOOKHFTC-UHFFFAOYSA-N 524.893 6.257 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687288 NSKIMKLUUIPCMM-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OCC 1865687384 QBBVFUNDRTVTFV-GDLZYMKVSA-N 568.649 6.542 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688555 VARGMUZDXYZECS-NDEPHWFRSA-N 521.621 5.724 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689984 YHIPSUZVBDWUQI-JOCHJYFZSA-N 579.838 5.896 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865695810 UDMHJNAVZRCMQG-NDEPHWFRSA-N 514.670 6.297 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702515 BGQAGNNVWLZENZ-LJAQVGFWSA-N 579.487 7.952 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccccc1 1865705179 OECFZTNPAUFWTL-QHCPKHFHSA-N 564.495 5.535 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865707578 ZZBDAJJMGMQALL-INIZCTEOSA-N 545.732 5.843 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714477 LNVMFYGJUHQDOU-QHCPKHFHSA-N 547.840 6.241 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(Cl)c3)nc(-c3cccnc3)n2)cc1 1868565494 LRPWADIYVWUKNS-PMERELPUSA-N 547.087 7.661 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C)c(C)c5)cs4)cc3C2=O)c(C)c1 1872756541 OWPJOQXDCSJQSA-PNHLSOANSA-N 505.599 6.794 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(Br)c1O 1872794989 HOYDTTGZNCBXHC-RIYZIHGNSA-N 517.401 5.767 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC(C3CC3)C2)c1Br 1924615006 VGEQYXRKPLPPOL-QXUHLLMWSA-N 507.911 6.908 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)c1Cl 1925622827 RMOIOAUWGPIUOG-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE CC(C)(C)c1cc(C=C(C#N)C(=O)Nc2ccccc2I)cc(C(C)(C)C)c1O 2053623094 DRWGYSNPYIMCDB-UHFFFAOYSA-N 502.396 6.137 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2083333835 JXFCPDKIKQZYFK-ZDUSSCGKSA-N 565.268 6.954 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085497057 DYCAPKUPDXHRMH-UWVGGRQHSA-N 576.693 7.218 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Br)c2Br)cc1Br 2092330670 LUZOGXVOFHUSQX-ZDUSSCGKSA-N 513.849 6.467 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 2109668633 ASYKUTOEAZYXKR-SECBINFHSA-N 554.323 7.182 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2136372118 SAFNKFHVWODIEU-GFCCVEGCSA-N 507.900 7.681 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)c(F)c1Cl 2136961618 NPUQNBRHNVNKJG-ZETCQYMHSA-N 560.277 7.452 50 10 KKGE C[C@@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1c(CBr)ccc(Br)c1Cl)C2 2154355312 CFVIRAPDBHIUPQ-SZPZYZBQSA-N 512.717 6.346 50 10 KKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 2175011205 VAXFGTFDHYNQMF-YRGRVCCFSA-N 535.896 6.074 50 10 KKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)c(Br)c1 2179955754 FPRHDTJZXVMHHR-OAHLLOKOSA-N 529.319 6.358 50 10 KKGE O=S1(=O)CCC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206396120 SMGGKXXBQDFKRB-GFCCVEGCSA-N 574.354 5.841 50 10 KKGE O=S1(=O)CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396505 XRQFFBHQOISWEP-PWCHPLFNSA-N 574.354 5.841 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCCC23CC3)c1Br 2206398006 PLOWXHSPZIJJHC-QPUJVOFHSA-N 594.805 8.143 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206398662 XLGVCOHSPAOEEP-LLVKDONJSA-N 598.699 7.499 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)c(C)c1Br 2227353356 SQSKSOQBIDOEEY-GFCCVEGCSA-N 518.418 5.495 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1csc(I)c1 2252830892 SCATWPCYGFFGSE-NSHDSACASA-N 506.428 6.400 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(I)sn1 2252835150 NSNFWDFZAKKNCY-VIFPVBQESA-N 507.416 5.795 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cscc2OCc2ccccc2)c1 2252836787 HAVYFBLJHSOTKX-GOSISDBHSA-N 531.107 7.531 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(C3CCC3)s2)c(I)c1 2271971982 RYBJTYRXGSYTEH-HNNXBMFYSA-N 512.048 6.867 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Cl)c(OC)c1Br 2279286096 BPVCIXKFAVKBJU-VIFPVBQESA-N 505.453 6.428 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Cl)c1Br 2288487793 ANGQTUOCTGCRBT-LLVKDONJSA-N 554.248 7.390 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CCCC2 2293031451 OYXYBPFMRHALTA-UHFFFAOYSA-N 548.970 7.281 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2296506735 CFOXALLTRPHDFB-AREMUKBSSA-N 525.630 5.545 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc(F)c1 2313568092 REOPEKAGTWPEBI-UHFFFAOYSA-N 564.455 5.822 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314617468 YWBJKCYOAAMRTE-UHFFFAOYSA-N 528.568 5.369 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314617480 YZUJBFHBNXLBLP-UHFFFAOYSA-N 542.595 5.411 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c1 2314617767 AHTBDNDSQNOOFV-UHFFFAOYSA-N 538.648 5.737 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCCCc2cc(Cl)cc(Cl)c2)C1 2318686907 AWBJZMHAPCAYLJ-HZPDHXFCSA-N 500.204 5.366 50 10 KKGE BrC[C@@H](CSc1cc(I)ccc1Br)c1ccccc1 2338310067 GBYXWWSLHZWEQP-LBPRGKRZSA-N 512.048 6.325 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)c(Br)s2)c1 2341182026 MAYLZQPBTRJBLB-JTQLQIEISA-N 507.900 7.649 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(I)c(Cl)c1 2360425811 GBYQZDZSXIGZHQ-LLVKDONJSA-N 573.252 7.637 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362227718 IORIQRHOWOROIU-SNVBAGLBSA-N 570.341 7.929 50 10 KKGE Fc1cccc(Cl)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362255899 RXRNJGLQNUFNQK-LLVKDONJSA-N 509.797 7.281 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc2c(cc1Br)OCC2 2364226894 SBEJCODSMTVETA-SNVBAGLBSA-N 529.852 5.127 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)nc(C)n1C 2365229255 YBCYTXVFYNPBLP-JTQLQIEISA-N 533.859 5.948 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCc3ccccc3)c2)c(Br)c1 10331686 UZUPLDHWJFTTJH-UHFFFAOYSA-N 525.443 5.208 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)/C=C/c1ccccc1 33604436 XHXFNQYQWKWWGX-SAVNLYKPSA-N 513.594 5.453 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 38657862 OLXDQZKLSQFERW-SSEXGKCCSA-N 504.586 6.340 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914805 QMKNCJMHSFUNTJ-UMFKEYKBSA-N 515.094 5.530 50 10 KKGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100146514 GHYURAKNSCERFI-UHFFFAOYSA-N 609.340 5.258 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Br)cc1Br 100189768 YPYHPSDSFYKXGA-UHFFFAOYSA-N 593.110 5.239 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844222 FFABXJJLIRRKCS-XKCJGCHYSA-N 531.248 5.869 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1nc3ccc(Br)cc3s1)[C@@H]2Br 100869411 FQTSSUKEBCQBLB-NVGVWMPQSA-N 616.011 6.683 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)CC1 101013471 AAMOUERAMIKDHA-PLRJNAJWSA-N 562.699 5.911 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(Br)cc3)nc12 101115361 HZWPQTPGVRHRLN-SSZFMOIBSA-N 519.330 5.243 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362622 XFDBWZKBLSFSDD-PVAZPRTOSA-N 560.650 6.980 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101374749 SNDRPCBLMQILJQ-KCEHZKJRSA-N 570.686 6.808 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380549 BOKXSPGWVTYLQI-HKBQPEDESA-N 550.586 6.631 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383180 FHVDVFRQASWKHS-PMERELPUSA-N 556.977 6.261 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1 101390744 IDJWZUBCKWHKBR-AREMUKBSSA-N 553.442 7.008 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc2ccccc12 101392358 UXJZTNPCGNDTGI-RUZDIDTESA-N 543.431 7.799 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 101397709 HVFZKVWUIBKDMP-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597647 ITOIWFGZGCNHRL-VUTHCHCSSA-N 563.364 5.497 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 102665834 MLQBXZUHDUMLCQ-ZUGOUDHMSA-N 528.848 6.712 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 103879175 SBYUTSMBLUXMGM-KCSSXMTESA-N 523.976 6.828 50 10 KKGE C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105052677 UEOGWDJGSQGZHM-CCVNUDIWSA-N 532.221 6.111 50 10 KKGE N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)NCc1ccccc1 150375126 GSROCHIMTLYUCY-JAIQZWGSSA-N 620.228 5.698 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 150441933 PTWMLBURDIIKQS-WJOKGBTCSA-N 665.957 8.461 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214358276 WKRBVSLWMBUPCH-HPUZFYODSA-N 504.590 5.398 50 10 KKGE Brc1ccc(C[C@H](Br)c2cc(I)ccc2Br)cc1 232473610 PKRIDNAMNSEWDT-AWEZNQCLSA-N 544.850 6.495 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 234813841 DERAIVZEQXPUFQ-NSHDSACASA-N 519.878 6.529 50 10 KKGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 254312039 RCDYCLCKODRUHY-UHFFFAOYSA-N 530.584 5.669 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](O)[C@@]3(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 503944068 OPYUSJFJMUNXDI-HPSKPARSSA-N 978.338 7.930 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cccnc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589975 UEUDLVPTCOPGMZ-MIFGYQFCSA-N 845.063 9.218 50 10 KKGE Oc1nc2ccc([C@H](Br)c3ccc(I)c(Br)c3)cc2o1 721573964 UVWOBQGAYKFXHY-CYBMUJFWSA-N 508.935 5.385 50 10 KKGE CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 886012573 LJZYUHILMGEOPH-JCMNOWLCSA-N 615.863 5.756 50 10 KKGE CCCCCC/C=C\CCCCC[C@H](CC(=O)O[C@@H](CC(=O)OC(c1ccccc1)c1ccccc1)C[N+](C)(C)C)O[Si](C)(C)C(C)(C)C 888085852 XPHCEWQGXCYRHU-PLKBUTIUSA-N 695.094 10.585 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083817583 QXQZQDMMTWVWDX-INMKTMPKSA-N 654.920 8.706 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1083902011 KRAUHJZJHJSXOX-UHFFFAOYSA-N 633.373 8.865 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 1084210739 XKHRWWMEHSZUPK-UHFFFAOYSA-N 608.492 7.256 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2ccccc2o1 1084232344 OROYYGDKGWTFRS-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE N#Cc1ccccc1COc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084362548 AVYPIUGNYVDWKI-UHFFFAOYSA-N 726.106 6.619 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084471454 QHQVRVNXPXZCIQ-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)ccc1O 1865681814 XPCNMMBWECKUOH-AREMUKBSSA-N 508.578 5.238 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687984 GECFJXVNUCYDGF-GDLZYMKVSA-N 520.633 5.732 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865689321 PKKHINKYBYFMLY-QHCPKHFHSA-N 520.511 6.060 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690145 JQHDCCPBDTXNRT-MHZLTWQESA-N 575.496 7.642 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)c1 1865690368 PLGSGCXRUPLDRN-DEOSSOPVSA-N 543.421 5.927 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865691266 ODPIVVZHDFBFRM-HSZRJFAPSA-N 567.484 6.044 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865694040 OGQMUHRFKAOBBS-PMERELPUSA-N 520.633 6.053 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865696300 LVEXTRNSWJFGTK-SANMLTNESA-N 521.061 6.664 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865702185 OZAGSXUJWKACEY-SANMLTNESA-N 510.041 6.316 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706151 OZIKJSHMKFJBIW-QFIPXVFZSA-N 518.360 6.032 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865707472 XPTITEKRXJOKFG-MGBGTMOVSA-N 565.721 7.460 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866742853 QCTAMJFZEYOLFV-VMPREFPWSA-N 513.707 6.879 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@@H]2c2ccccc2)n1 1868277712 FSVHAWXVRIRFPE-HKBQPEDESA-N 505.691 7.631 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1 1872747654 NMWFKONQNRMOPJ-SILNSSARSA-N 517.401 5.947 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1F 1872752717 PHBSKNCCJZFYPC-FRNXXMHGSA-N 512.606 7.778 50 10 KKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753951 VVYQHGJTGDIWAF-FLFQWRMESA-N 515.978 6.474 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 1872754426 RVUFYCVOXCNTFT-YUCJCZDXSA-N 500.407 5.967 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)cc1Cl 1872754772 IDAOHIGBBITXNU-LVWGJNHUSA-N 519.022 7.095 50 10 KKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872792135 GOYBOKFATNDYRU-LFVJCYFKSA-N 502.595 7.378 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Br)c2Br)c1Br 1922929897 MYNKYFYVSWNEDP-JTQLQIEISA-N 582.775 7.591 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065841 HXOZHGDPYDTISB-SECBINFHSA-N 538.324 7.482 50 10 KKGE C[C@@H]1OCCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615201 XPXOJDQGDABZAB-WSDOSGOUSA-N 513.871 5.276 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cccc2Br)cc1Br 1945321460 GXEVFAQPXFQHQG-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cscc2OCc2ccccc2)c1Br 2081054378 IWADRMOTMPIBSX-FQEVSTJZSA-N 500.683 7.797 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)cs2)c1Br 2081063889 VBIGDZUQDWTZDG-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Cl)ccc2I)c1Br 2138864548 ONKWSHJIGIJJLK-CQSZACIVSA-N 534.844 7.106 50 10 KKGE FC(F)(CC1CC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468564 LGTMJDODIBSXPP-LLVKDONJSA-N 546.269 7.452 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1C2(CC2)C12CC2 2141468993 PZASNXBPCCSBTN-LLVKDONJSA-N 534.311 7.207 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1c(Br)c(Br)cc(Br)c1Br 2206395927 RIWWHYIQZSRMIY-JTQLQIEISA-N 658.191 7.864 50 10 KKGE Cc1c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)nn(C)c1Br 2206398099 QUENPWUITOHNFG-JTQLQIEISA-N 615.183 6.869 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206400584 DARSERKAABFEHT-NSHDSACASA-N 659.634 7.025 50 10 KKGE COC[C@@H]1CC[C@H](c2sc(Br)c(Br)c2Br)C[C@H]1Br 2222476384 YNMCDAREQGSNFO-BIIVOSGPSA-N 525.926 6.329 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2I)c(C)c1Cl 2232513071 WGSNULCMEUGHLL-ZDUSSCGKSA-N 528.453 7.003 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCC23CCC3)c1Br 2247325216 BCXLYCDUTRMSSC-HTRCEHHLSA-N 507.911 7.052 50 10 KKGE Brc1cc2sc([C@@H](Br)c3scc(Br)c3Br)cc2s1 2263630045 IMKIPOANCGMSHD-SNVBAGLBSA-N 551.970 7.796 50 10 KKGE Fc1cc(C[C@H](Br)c2c(Br)sc(Br)c2Br)ccc1Cl 2277800674 CKICMEOYPSSWHB-LURJTMIESA-N 556.314 7.507 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346074 VUCFBMNEQUDDLI-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198276 POECEEMGRFZGDO-QHCPKHFHSA-N 587.326 6.499 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2293198349 XJSXGDGPFBMSLS-QFIPXVFZSA-N 563.293 7.365 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619856 CHOWGQDHUQUJQN-UHFFFAOYSA-N 546.248 6.567 50 10 KKGE CCCC[C@H](CC)CNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2296706063 SCLJTPCEDWJYJX-VWLOTQADSA-N 567.133 8.011 50 10 KKGE Clc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2299504426 NBVMCHNJCMOOEK-MRXNPFEDSA-N 507.074 7.881 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2313567982 QTAHBBZMHUCNPW-UHFFFAOYSA-N 548.603 5.445 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449361 PMSNYOAJSPKMPQ-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489498 QRISKUGCVVZUHA-UHFFFAOYSA-N 598.687 9.140 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592569 XVVORQMQPSLEJM-MUUNZHRXSA-N 525.674 6.446 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592985 FLSVDXHRVUEYES-PZGXJGMVSA-N 539.701 6.341 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccc(Cl)cc1 2314737309 WXOQCYUJYNZVSR-UHFFFAOYSA-N 609.078 6.778 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 2314754385 QUOBVQNBSQQXGR-UHFFFAOYSA-N 558.631 6.098 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccccc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487675 SRPQGJUYJAYVMW-UHFFFAOYSA-N 510.644 5.665 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)c(Cl)c1 2331051506 CSWKEBPRMFYOBW-UHFFFAOYSA-N 513.333 6.325 50 10 KKGE N#CC(=C(O)CCCCCNC(=O)c1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360359 YAADXJTYAKWCSM-UHFFFAOYSA-N 509.631 7.385 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(OCC)c1 2331386530 JRGUGLOUOPDLIX-UHFFFAOYSA-N 517.607 5.952 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338693499 MWJMABVECYCWPJ-VIFPVBQESA-N 535.925 6.206 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2ccccc2Cl)c1Br 2362228822 GEXKGFQZLUFGGE-MRVPVSSYSA-N 505.834 7.336 50 10 KKGE Clc1cccc([C@@H](CI)OCc2cc(Br)cc(Br)c2)c1 2362247153 HDBAAHMDXUHKBE-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc3cscc3s2)c1Br 2362250058 ZJMVCFPCJNKZJF-NSHDSACASA-N 519.480 7.765 50 10 KKGE O=[N+]([O-])c1cc(CBr)ccc1Oc1cc(Br)cc(I)c1 2364106698 LZQPHUDFIMDJNL-UHFFFAOYSA-N 512.923 5.649 50 10 KKGE COc1cc(C(=O)N/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(OC)c1OC 1059710 GDWPBLMMQZYVAW-XODNFHPESA-N 519.432 5.196 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 11852129 YRTYNZMGGTUENA-ATVHPVEESA-N 524.827 6.955 50 10 KKGE COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(OC)cc3)cc2)cc1 15773763 QYJWPSMDQLVFCQ-YXGHVCOTSA-N 518.617 6.132 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1C 38660907 FYERVJSPTLTFOJ-HKBQPEDESA-N 518.569 6.298 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 38683940 RJTOZGOKOYXYQJ-SANMLTNESA-N 504.970 5.965 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 40530100 NRTRFVNTINJTHM-JRPXNJEYSA-N 526.633 6.409 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 40911612 UFZFAKSHKHEVJE-FJEPWZHXSA-N 515.437 6.408 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 96840489 WOQYKEHJSNYFOL-SFQUDFHCSA-N 504.455 5.248 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccc(OCCOc3ccccc3)c2)c(Br)c1 100162205 DKAVXKZWIRBXAI-UHFFFAOYSA-N 541.442 5.044 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100232092 HQLSFJYKGBFBJP-SLLOZXFSSA-N 590.312 6.153 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(I)cc2)cs1 101034132 STRXBKTZFHHKOH-LFIBNONCSA-N 548.327 7.758 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101241981 RCOOGAKPEDUXBG-AZJLSSPBSA-N 519.976 5.704 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101362087 ASSACKIETJXPOB-HHHXNRCGSA-N 549.421 5.831 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 101363621 VHUYSTPGAJVIOR-QLXKLKPCSA-N 533.422 6.164 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380966 GVPLOHFCTZOPKA-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381362 ZUMKLTUONKWOAJ-WJOKGBTCSA-N 601.486 7.799 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382648 IXELVBKCOFCCIS-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1C 101383850 FAWUBHLSEVUCFK-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385121 WZKRINCBZXHWKI-XIFFEERXSA-N 574.677 7.318 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385599 GVQVLYDMCRWILM-HKBQPEDESA-N 587.003 6.269 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386436 AICMRHGMAPMEHZ-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387419 NULFPGOCMJFJDD-YTTGMZPUSA-N 629.540 8.316 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387801 GMSNCDHLGCAPPN-UMSFTDKQSA-N 590.676 7.199 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101611852 HJNYXPQGUWHRGO-WEMUVCOSSA-N 542.463 6.725 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc2ccccc2c1 101706615 CVSSYUPQTKTWRL-QRVIBDJDSA-N 527.374 6.425 50 10 KKGE O=C(N/N=C/c1c(F)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103722726 VRUFNLZEEJDQLV-NBRFUFBESA-N 518.632 5.668 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc(C)c1 103878647 DJOWUMFREMODOP-KBVAKVRCSA-N 547.449 6.974 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 105151682 XHVPGVPZRCNOSM-GENSETBDSA-N 618.589 5.870 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1cc(Br)sc1Br 109869791 WKZNZKDQQUTGIG-JTQLQIEISA-N 524.297 7.173 50 10 KKGE O=C(CCCCCCCCCCSSCCCCCCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O 118624192 JOKQWUXBBOQYTJ-UHFFFAOYSA-N 628.854 6.604 50 10 KKGE CCOC(=O)C1=C(CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccccc1I 150363421 QFXJFSUPPRPNRB-AREMUKBSSA-N 695.608 5.691 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 164017820 IBRYYZLHXIBOAU-XODNFHPESA-N 614.577 5.421 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724485 HXYREGLLDQLONN-AJQTZOPKSA-N 733.775 5.767 50 10 KKGE C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 195784401 USBJDBWAPKNPCK-ZJZGAYNASA-N 615.270 7.570 50 10 KKGE C#CCC[C@@H](NC(=O)OCc1ccc(OC)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Cl)nc1 201446148 HSPVYCCTHGAHMF-ISKFKSNPSA-N 503.115 6.515 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(OCCC#N)OCCC#N)NC(C)=O 206561603 RYQPSXJGVBICPM-KBOMYTLXSA-N 641.907 9.124 50 10 KKGE in-vitro CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 214305179 FDILIANBUCSWSG-ONUIUJJFSA-N 556.638 5.875 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)ccc3I)ccc2O1 235406765 JBRZYDWHEKNNGP-JDNHERCYSA-N 507.991 5.861 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)cc1Br 235821400 NVGZIUITLCOGOX-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1csc2c(Br)cccc12 236038589 OOPKSCNSRRFUJY-CQSZACIVSA-N 542.461 7.359 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 247533539 PPFHNIVPOLWPCF-QGLKVJOYSA-N 541.071 6.075 50 10 KKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254745467 VMCYFESQRRKUPK-UHFFFAOYSA-N 553.240 6.301 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c1 254818103 CZQZYSKTZHPOQJ-UHFFFAOYSA-N 611.680 5.130 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 616588214 LAVSLNMQPNHPSL-GYBBMVFLSA-N 697.001 9.876 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CC[C@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616590827 UGEIKZJEAQFEKU-AREMUKBSSA-N 511.899 8.572 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl 725405257 QKJDLBXGQYPJCM-RGVLZGJSSA-N 525.830 6.853 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 1083818459 VVTDWWSTBCENLT-REWRUBTHSA-N 752.933 8.437 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)Cc2ccccc2)cc1OC 1083911182 GCQLOVCIYBILNE-UHFFFAOYSA-N 629.566 5.759 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc2ccccc2c1 1084024986 OFNCQHWPFFMXQC-OVVQPSECSA-N 629.498 6.288 50 10 KKGE CCOc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084147730 COVAKNVVHNUHKV-UHFFFAOYSA-N 571.686 7.543 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1084294008 UHCDRCBBCZLXBO-QVBXEMRFSA-N 641.186 12.671 50 10 KKGE Cc1ccc(C)c(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 1084506357 NVDSJORBMRRLSQ-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Br)CCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536951 FZJXXSXLNFVUGM-WDCOCSGZSA-N 563.705 10.182 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865685866 NVUUDLUHCPTCBV-RUZDIDTESA-N 515.444 7.247 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686946 FSXZGCWGWYRXTN-AREMUKBSSA-N 557.448 6.003 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688215 NDUQFXMVNLSMNH-VWLOTQADSA-N 519.432 6.571 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865689297 OVUUVWXXYBANJX-NDEPHWFRSA-N 536.632 5.931 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865692212 CMFOABNUESLHLJ-RUZDIDTESA-N 545.014 6.406 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865692474 GIMLEHPNIUTHAW-AREMUKBSSA-N 506.606 5.841 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865693210 SSHOAIUNMMKITO-HSZRJFAPSA-N 551.485 6.374 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695816 UMAGTDYRUHPOKR-MUUNZHRXSA-N 525.052 6.561 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865697227 XVRSIXYYRTZWBD-QHCPKHFHSA-N 559.420 5.551 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701380 UJZNRRVBAGYLLT-KRWDZBQOSA-N 536.611 5.283 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712231 SQBACRQLVZBJJA-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866759641 FCPXITKHXRZFGM-XNMGPUDCSA-N 503.643 6.203 50 10 KKGE CCCC[C@@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867029201 KHLQSGONAHXWRT-PKTZIBPZSA-N 549.722 5.627 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H](C)N1c1ccccc1 1868434036 VQOPRVIKMOFVOM-SFTDATJTSA-N 527.097 7.217 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccccc4)C3)n2)cc1 1868527830 ILYCVZQJIRPVJU-SANMLTNESA-N 509.635 6.437 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)n2)cc1 1868528150 NXRGHFXVEZTNOQ-HRFSGMKKSA-N 541.652 6.965 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4ccccc4s3)nc(-c3cccnc3)n2)cc1 1868563502 CLRBXNWVZRSPSC-QFIPXVFZSA-N 507.648 6.807 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c1OCc1cccc(C)c1 1872794999 HURFMKRIKAZCLE-JJIBRWJFSA-N 518.638 7.932 50 10 KKGE O=C(c1scc(Br)c1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915263047 DZUAKNCEFJRFAU-AWEZNQCLSA-N 522.100 6.089 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Br)s1 1915296377 TUWGKNMRVQQMKR-AWEZNQCLSA-N 515.720 5.774 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccccc1OCc1ccccc1 1923038885 KYWSZXAKIQOMBP-OAHLLOKOSA-N 507.074 7.834 50 10 KKGE FC(F)C(F)(F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924581097 XPQFCYMKGLCEBB-GSVOUGTGSA-N 513.768 6.372 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@]23CCOC3)c1Br 1950635781 ZPIXADIOJFFGOE-REBBBIQUSA-N 509.883 5.898 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1950881170 AVOYPVGLDAWNCC-ZCFIWIBFSA-N 544.353 7.543 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC23CC3)c1Br 2025779445 HIJLQTDHBJSVDG-MLUIRONXSA-N 552.724 6.973 50 10 KKGE C(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2040347179 UOISPEMFOAAJLR-UHFFFAOYSA-N 578.676 7.531 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048972097 XHIACRSMZCVSSQ-OIBJUYFYSA-N 531.880 7.297 50 10 KKGE COc1cc([C@H](CP(c2ccccc2)c2ccccc2)N[S@@](=O)C(C)(C)C)c(P(c2ccccc2)c2ccccc2)cc1OC 2080751897 XVKDXVRFGFPCPB-LEEIDUJMSA-N 653.765 6.688 50 10 KKGE C[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085496400 WJXBGMYNHFOYMG-HGJMQJFTSA-N 538.221 7.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC3(CC3)C2)c1Br 2085499743 VDSARNHXGJGBKP-JTQLQIEISA-N 566.751 7.363 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(I)c2)c(F)c1Cl 2136965786 CEYHREKFWOTKJR-LLVKDONJSA-N 522.352 6.470 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2141468570 LHSKWPQARKMHTO-OUDXYJABSA-N 580.778 7.609 50 10 KKGE CCCC(CCC)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471944 XZSSDDZEYVVVNH-LBPRGKRZSA-N 584.810 8.389 50 10 KKGE ClCc1cc(Br)c(OCc2c(Br)cccc2Br)c(Br)c1 2150488794 PRICLPGJXNHJFT-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE CC1(C)CO[C@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394498 HJBPJJGIJDWFAQ-XCBNKYQSSA-N 554.342 7.222 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400051 OUMILPMDXMORQP-CYBMUJFWSA-N 659.605 8.123 50 10 KKGE Oc1nc2ccc([C@@H](Br)c3ccc(Br)cc3I)cc2[nH]1 2207272482 OAZORIAZODATCC-CYBMUJFWSA-N 507.951 5.120 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)c(Br)s1 2221699751 LMQDZLKFRIAACL-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 2226587026 VXGLMPUSQWNXME-ZETCQYMHSA-N 515.826 7.342 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Cl 2233969266 IQJNJWWGHKKPGS-AWEZNQCLSA-N 505.834 7.403 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2234067791 NKZYKCGGORHDQJ-QDUSTFBWSA-N 509.673 6.092 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)cc1Br 2267749578 NKERRBUHFJFNFY-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2cc(Br)ccc2Br)c1 2280676727 IWEJKAJBZJSLFP-INIZCTEOSA-N 525.904 7.582 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1c(F)cccc1I 2282782373 BBPKVJDMIXVEKV-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2283200762 VWOMZUGHEFHHMZ-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)c(I)c2)c1Br 2283576927 LJRAILWNELIIRY-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE COc1cc(C=C2C(C)=C(C#N)c3[nH]c(=N)c(C#N)c(C)c32)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2294106448 XWFNFULSTJQXBA-UHFFFAOYSA-N 636.362 5.747 50 10 KKGE N#CC(=Cc1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(I)cc1 2295172675 WLQSWTAEMCHRRS-UHFFFAOYSA-N 580.403 5.758 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(I)ccc1Br 2303539514 NZYBZYYAXOJGLS-OAHLLOKOSA-N 567.059 5.154 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(I)cc1 2313571493 XPDFDOIEXHESOJ-UHFFFAOYSA-N 536.200 6.551 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2313630543 BLVKNPZKXSVVBL-UHFFFAOYSA-N 506.172 7.065 50 10 KKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313724472 ANKDOOLQEMMMOU-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1[N+](=O)[O-] 2314433966 YPQKWCBTYORQIT-UHFFFAOYSA-N 504.506 5.559 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CCCC2 2314571868 NNQCUZKFLMWEJT-UHFFFAOYSA-N 517.994 6.421 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591833 FXOIJNQICQZHBL-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592628 YXLGQZHXFYPXBO-VWLOTQADSA-N 552.483 6.766 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617364 WURZCOQEPDABHM-UHFFFAOYSA-N 510.565 5.638 50 10 KKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618785 UHXXLBWXZCHLHS-LJQANCHMSA-N 547.438 6.934 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314618964 XMQDPBUNGVMBTM-UHFFFAOYSA-N 516.557 5.490 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2nscc2Br)c1Br 2315451865 VBYNXFDRNYRQNV-QMMMGPOBSA-N 543.275 6.707 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331318208 HHLDCTCCGTZRBT-AWEZNQCLSA-N 519.848 7.275 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 2331386789 OSXQXNINYXMRKU-NRFANRHFSA-N 521.620 5.038 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1 2331429420 VEMWRHNWTXLGQQ-UHFFFAOYSA-N 518.274 7.447 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2ccc(OCc3ccccc3Cl)cc2)n1 2331461050 DCANHAUSXDKOKH-UHFFFAOYSA-N 515.078 8.413 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c1Br 2337092781 WDARMZJCBGDMEI-MRVPVSSYSA-N 621.183 8.075 50 10 KKGE Brc1cc(C[C@H]2CCCCCCC[C@@H]2Br)ccc1I 2349778850 PEDSBWRDONOPIR-KGLIPLIRSA-N 500.056 6.720 50 10 KKGE Clc1ccc(I)cc1CC[C@H](Br)c1ccc(Br)cc1 2352431597 JQPFOUPBFYHKFQ-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE BrC[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(I)c(Br)c1 2377319448 XYWUETXOMNPJKU-DVOMOZLQSA-N 513.055 5.582 50 10 KKGE CCSc1sccc1[C@H]1C(C#N)=C(N)N(c2cc(C)ccc2Br)C2=C1C(=O)CCC2 9982282 MYJFWRXLZMJUFO-FQEVSTJZSA-N 500.487 6.236 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(F)cc2)cc1 33579576 UNHYASKLQJXFGV-QPQMVVSWSA-N 502.527 5.107 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc2noc(-c3ccccc3)c2c1 35515989 UFBDILHWRUEGPU-PXLXIMEGSA-N 519.582 6.946 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38700710 LVASZXKRFWEHOS-DEOSSOPVSA-N 502.979 6.554 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38701449 FZDUWZMYIDLRFV-LJAQVGFWSA-N 522.601 7.056 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1Cl 40813436 LPKUSXBWSDQETI-MTDXEUNCSA-N 515.353 5.834 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 58893897 ILSPNQKSNKGXPV-WIQDYGPDSA-N 515.437 6.243 50 10 KKGE C=CCOc1c(Br)cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1CC=C 58895236 UIRGOHCETKJONW-WCFTWNFSSA-N 501.421 5.105 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 59117115 NGFJHJSRGMQJBN-VCHYOVAHSA-N 501.797 7.170 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100232052 RUFFCYVSVZAUME-NRFCLKMUSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 100234365 GKJSRHAATQTOMZ-XAHJCJBOSA-N 578.112 7.827 50 10 KKGE O=C1OC(=O)[C@]23C1=CC(Cl)=C1c4c(Cl)ccc5ccc(Cl)c(c45)C(=C(Cl)C4=C2C(=O)OC4=O)[C@H]13 100368092 QZGSYCNZZJBRHA-XDHUDOTRSA-N 532.118 5.080 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 101035523 IBVPQEMZGXJNLQ-HKWRFOASSA-N 565.186 6.389 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245182 FLOZJBDXNMWQMC-NNHPPCHPSA-N 501.583 5.598 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101334350 UYHFCXXBDSLNNW-GQXLBWHRSA-N 560.629 6.648 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OCC 101339328 AKTOITPGVCJMEW-LGUFXXKBSA-N 560.691 6.287 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 101365227 UBGIIHUYFNWXCN-QHCPKHFHSA-N 527.360 5.457 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCC(C)C 101374189 MTUYJUDWKUNOOR-SANMLTNESA-N 549.421 5.930 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384337 HTHXVAJGMIKYNF-YTTGMZPUSA-N 564.613 6.877 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385556 VEANJDMFEWABTK-PMERELPUSA-N 569.013 6.374 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 101397253 QGPKQNMJXZVLHL-AREMUKBSSA-N 545.060 7.561 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619492 GIOIUQIJCUYOSI-RDRPBHBLSA-N 534.366 5.294 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 101711668 NKTPDAGOJRLJMF-WKULSOCRSA-N 529.862 6.508 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101767404 VMYDFGCEGVSTOG-CCVNUDIWSA-N 531.834 5.782 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 102832666 KNQWZVIECZSPPJ-RGXNXFOYSA-N 551.043 5.419 50 10 KKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1Br 102933213 YFHKULMOMXOUPH-JYRVWZFOSA-N 588.037 5.927 50 10 KKGE C=CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 103649544 FWLBMHXGJPAFTA-YVLHZVERSA-N 503.933 6.517 50 10 KKGE COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 103724699 WCPXJTKENMJVSI-HNSNBQBZSA-N 537.616 5.125 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742848 MNYNVDGISUUWMN-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1I 103743530 KQMPJWQQTWKAEM-LGJNPRDNSA-N 560.189 5.268 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc2ccccc12 103748038 KTAFPLOOGSCJMY-ATZGPIRCSA-N 529.474 7.476 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 103877762 BTXHSNTXRHIOOA-XODNFHPESA-N 572.799 6.499 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2ccccc2o1 103880659 OROYYGDKGWTFRS-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 105420848 BLRFUTLHNDTUMX-DFKUXCBWSA-N 600.579 6.534 50 10 KKGE FC(F)(F)c1ccc(/N=N/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 112368244 CBVWKVXYQDUMEY-ULDVOPSXSA-N 525.514 8.930 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432854 VGBHXBFVSYHGCM-TXRXYBTHSA-N 659.566 8.125 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 150463093 LLVHCOMZYDDQJH-LLWLYNIOSA-N 667.187 6.288 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(C)cc1Br 160788789 GDLRHXAFWPELPV-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 164011960 UCJCCCNVTCIMGA-QXUDOOCXSA-N 666.741 5.844 50 10 KKGE CC(C)[Si](O[C@@H](CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CNC(=O)OCc1ccccc1)(C(C)C)C(C)C 198506315 MRVOIEYECPFVOP-BJKOFHAPSA-N 552.785 6.232 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1 205661181 HYKXIJICROZPPY-PUHHXKNNSA-N 522.645 7.181 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 205671048 DSROXESRPMPSGK-WSRWFZTPSA-N 592.623 6.649 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)s1 232344306 MVJNWRXDSDLGLX-LLVKDONJSA-N 506.428 6.561 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 254742561 IUWGQFLRIFALCC-UHFFFAOYSA-N 513.626 6.483 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(N=Nc3ccccc3)cc1)[C@H]2Br 261366769 NBQDKCSPKLVTEZ-HSQYWUDLSA-N 584.150 7.726 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1cc(I)cc2c1OCC2 380333869 SJUOCHXBHOUFCR-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232385 OYSKUZDIHNKWLV-YLVOGOICSA-N 663.406 6.422 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 1083940596 HQVSILRVAXSXGF-UHFFFAOYSA-N 755.369 8.144 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccc(Br)cc1 1083949364 CHFOYSXAPNNNMI-BOPFTXTBSA-N 532.221 6.889 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 1084055724 COQVPCGDHLGYIF-UHFFFAOYSA-N 650.551 5.712 50 10 KKGE Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 1084174442 CWNJYBHZFYVWCU-UHFFFAOYSA-N 528.859 7.018 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084260612 VOGPJZFKTMMKHO-OVCLIPMQSA-N 571.085 8.187 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1084299654 BVABHXVTPBHNRQ-UHFFFAOYSA-N 543.667 7.503 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 1084304907 NQGJGBLDXLVUHI-VCHYOVAHSA-N 603.800 6.376 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084482645 HVIMJKOPSOCUAD-UHFFFAOYSA-N 566.279 6.896 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1Cl 1084497027 HYEAPAAYNFXTJS-MHWRWJLKSA-N 520.185 7.020 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C)cc1 1084523859 QYNDHSGJDPICAY-VCHYOVAHSA-N 501.797 7.089 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(O)ccc2ccccc12 1084573639 SQBJPEHXOGAYHV-KRWDZBQOSA-N 612.497 5.171 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 1084575159 HMQJYZDKLJNXNK-DEOSSOPVSA-N 516.411 5.358 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749558 VUURXYDPDCUKCK-UHFFFAOYSA-N 546.454 7.136 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686055 QFMCBQMXMVHCGO-OAQYLSRUSA-N 507.352 6.212 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2Cl)cc1OCC 1865687368 PRYRWZBWACIQNQ-AREMUKBSSA-N 521.061 6.333 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687676 XSVHOSDYYJSHIK-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865688542 UOZQIVAXIVQPNR-KRWDZBQOSA-N 569.765 5.689 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)c1 1865690477 SKJIRBFFBXDGCC-VWLOTQADSA-N 530.987 6.016 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccccc1F 1865692410 FNALYAPIHKFQDV-IBGZPJMESA-N 502.468 5.105 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865694060 OXGBHLRKDRWDSU-NDEPHWFRSA-N 522.605 5.639 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700785 DIESSUTUIAYVTD-SANMLTNESA-N 551.861 6.997 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705003 JYDRIMYJFUOROI-SANMLTNESA-N 579.415 6.132 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706038 MFTIBGNJKJTICY-NRFANRHFSA-N 504.333 5.972 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711619 CTZANVGICKCZHE-LJAQVGFWSA-N 526.596 6.345 50 10 KKGE CC(C)C[C@H](C(=O)N(CCCl)CCCl)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1866311473 AFBYIFKLUSXZLW-SECBINFHSA-N 523.071 5.617 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4ccccc4OC)CC3)n2)c1 1868506371 WAYVMDJXJMJRCL-UHFFFAOYSA-N 552.704 5.842 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)n2)cc1 1868544955 PGUKNRWYRBIRJI-MHZLTWQESA-N 573.688 9.118 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)cc1 1872753212 MIJUYHKSPTXJEK-SGEDCAFJSA-N 504.696 8.428 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)c(C)c1 1872756404 YUMHFFJCYSLXKG-RWEWTDSWSA-N 509.562 6.625 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)\c2ccccc2)cc1OC 1872818041 KNBWCQZEGFMHPS-OPDHIEIVSA-N 502.542 7.139 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941000 RAESDROXOXOYTE-MNDPQUGUSA-N 520.792 6.786 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2Cl)c1Br 1922896397 DXCZROXYBXLFIS-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 1925060965 FZAZGCXXXBMCGC-RMUHFYJVSA-N 523.910 6.431 50 10 KKGE Clc1cc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)ccc1I 1925590632 YPICDMIZASFXOY-QMMMGPOBSA-N 516.840 7.451 50 10 KKGE O=C(N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2080764692 ZFZHBYWMGGPRFC-SANMLTNESA-N 545.463 7.328 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)sc2Br)c1Br 2083318707 RUYXFXKPVOOFMH-NSHDSACASA-N 538.324 7.435 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2094674138 ROSRXXQWVBWXEK-CYBMUJFWSA-N 576.917 7.239 50 10 KKGE CC1CCC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141477697 STPUMHLVPYAEIL-RAPRUERJSA-N 538.343 7.843 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2c(Cl)cccc2Cl)cc1Br 2161082996 HANVFFPEKVYKIB-CYBMUJFWSA-N 501.871 7.506 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@H]2CC[C@@H]2OCc2ccccc2)c1Br 2179828279 OERUHQGTHZOANE-ROUUACIJSA-N 517.283 5.021 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395282 NHDZIDWFMGZLLU-OOWWRKSUSA-N 608.710 7.761 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206407580 DEMUPXBDADDCKX-ZDUSSCGKSA-N 723.060 8.432 50 10 KKGE BrCc1cc(Br)c(OCc2cscc2Br)c(Br)c1 2219923713 XIJCVPBZVOPQMD-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1C 2236015602 HKNOWFMSVNXWIE-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cocc2Br)c(C)c1Br 2258147901 KDNDEBGNOCFZCA-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2)n1 2297449874 UNHOSEUGJJGDSC-UHFFFAOYSA-N 564.696 6.661 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)o1 2313553251 YJJFFDATKHXSRV-UHFFFAOYSA-N 500.190 6.580 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449256 OPSDZLOBWSWIIK-LJQANCHMSA-N 545.496 7.928 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593218 JTASCELMQDZYKB-RUZDIDTESA-N 535.591 6.010 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 2314643169 FWDRYSDZKVYMSX-JGCGQSQUSA-N 583.015 6.904 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646620 GCCIFUPPMCBJJZ-NDEPHWFRSA-N 630.726 5.329 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)n1C 2315599812 XINJEHBOVDCRGL-JTQLQIEISA-N 501.842 5.500 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 2331362640 JAPWMAIICARSEW-NSHDSACASA-N 500.363 5.603 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccccc2C(=O)c2ccccc2)n1 2331362772 OCURCOZTPYHNCR-UHFFFAOYSA-N 507.398 7.306 50 10 KKGE FC(F)(F)c1cc([C@@H](Cl)c2sc(Cl)cc2I)ccc1Br 2364124775 NJYGIPZLQAPTHF-SNVBAGLBSA-N 515.947 7.116 50 10 KKGE Brc1cc(CN2CCC[C@@H]3CC[C@@H](Br)C[C@H]32)ccc1I 2377334432 JQBAHPYURBMBJU-XJKCOSOUSA-N 513.055 5.582 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Cl)cc2)cc1 33383674 JQPUNENORBBQGP-QPQMVVSWSA-N 518.982 5.622 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38607565 AGCBIKHKOODGQD-KOEQRZSOSA-N 527.020 6.153 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660805 XPDQNDDNNYYQJE-PMERELPUSA-N 504.542 5.990 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38682490 AKGQFNFSNACNBY-MHZLTWQESA-N 500.620 5.909 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cc(OC)ccc3OC)c(C)c2c1 38688747 OAZHJDXXPVNHIJ-MHZLTWQESA-N 510.546 5.758 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38701010 JCBZLMMNIRWXQG-SANMLTNESA-N 514.965 6.621 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2 40804288 OOJZRJFSYXWCFC-WEMUVCOSSA-N 513.981 6.756 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(F)c1 58895359 CBAKRWLAQBNOFS-DLOXVRGRSA-N 534.628 5.895 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100123139 MCJDGWNPSJUCGI-LBPRGKRZSA-N 556.638 5.012 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 100327273 LYFKAVCWNBZZIU-WUKQQSQZSA-N 547.449 6.154 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1 101012130 ATOJRGXYKVCBQV-NKLXDWDJSA-N 539.035 5.974 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCc1ccccc1 101012268 NXTLGBSNPOKEGE-IMRQLAEWSA-N 528.587 6.481 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101246577 YHKNENKRWLAWRN-MIGQBWSYSA-N 600.062 7.556 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101337770 CJRYJXFMUQWLCK-TWDAMHRMSA-N 591.693 5.143 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374636 BDTDTMDLXHMRDQ-PRAQEBQASA-N 560.622 6.384 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(F)cc5)ccc43)cc2)cc1 101378736 MNMUEFCIHANPKI-ROTAYESASA-N 550.586 6.304 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380631 DBANJWIDJFXHNM-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381035 XPAOPGSGMBHDNM-PMERELPUSA-N 540.978 6.424 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccccc5F)ccc43)c2)cc1 101382232 KKMPMDTVEUUZIL-BGOLNKOXSA-N 550.586 6.304 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385261 DNAYZGLWFURNHC-SSEXGKCCSA-N 587.459 7.327 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101387699 DWPXTGMVPGVDRN-XIFFEERXSA-N 607.619 6.084 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 101391901 IDQRBQRBAIFSER-XMMPIXPASA-N 554.386 6.518 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCC)c(Cl)c3)ccc21 101394682 GUOPECQAYXHZRL-AREMUKBSSA-N 553.442 7.008 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCC)c(Cl)c3)ccc21 101395049 SPGXRBDCYANFNL-MHZLTWQESA-N 567.469 7.398 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCC(C)C 101395587 ORKYRHZHRFQMCQ-LJAQVGFWSA-N 552.627 6.839 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 101761066 PIFYUVIEIVRVAV-RGVLZGJSSA-N 567.436 5.690 50 10 KKGE Cc1cccc(CN2c3ccccc3C3=C([C@H](c4cccc(Br)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 102066382 LYPKXCUOVIUPKT-HSZRJFAPSA-N 534.435 5.284 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4C)c3C)sc3c2CCCC3)cc1 103875199 NJZISGPTJIWWHD-JJIBRWJFSA-N 583.157 8.103 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 150353204 GYEZYVKQDOVFCP-UHFFFAOYSA-N 754.561 6.290 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150460477 YQBZGLRFCRVWQL-SANMLTNESA-N 643.976 8.876 50 10 KKGE N#C/C(=C(\C=C(/CC(=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 150574039 DJWDGZLINXMBMC-WSGZFUHPSA-N 628.320 8.911 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1csc2c(Br)cccc12 163377236 ZGFZIMJXAVLDJE-LLVKDONJSA-N 501.490 7.579 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682097 LMCNYCSDWPLKPZ-RLPLIERXSA-N 505.227 9.203 50 10 KKGE CCCC[C@H](CC)CO[Si](CCCNCCN)(OC[C@@H](CC)CCCC)OC[C@@H](CC)CCCC 195868700 JJJXKZYKNMHSMY-AWCRTANDSA-N 516.928 7.563 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OCC 207295963 OJIYFPJOGYJWQO-AIEPUDQMSA-N 506.599 5.323 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 211937055 UDZYMENXAKAUOE-HEHNFIMWSA-N 579.213 6.431 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214241279 IIHVPHBDSHJSRR-JDCMOKTRSA-N 584.720 7.599 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214273614 HXKQDBOXMODIMR-GXBUFBABSA-N 592.699 7.520 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214277805 DZNGHXWEFRACTM-GTWSWNCMSA-N 556.666 6.819 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214359885 BZQBNGNQPRQTNZ-QHDYCIAZSA-N 604.710 7.806 50 10 KKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(Br)ccc2I)c1C 235823287 OVLOENZDRWNAJR-QGZVFWFLSA-N 508.035 6.772 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(N=Cc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 254365374 XZHWNTSMHZFUJQ-UHFFFAOYSA-N 657.595 6.456 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)S(=O)(=O)c2ccccc2)cc1 254438845 GNLVHYFHQNLVFX-UHFFFAOYSA-N 622.143 6.062 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254500798 KVYQWQLYKQFYGV-UHFFFAOYSA-N 508.703 7.846 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254702831 CNRAGROYTTUDLS-UHFFFAOYSA-N 501.675 6.027 50 10 KKGE COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3cccc(O)c3)c2-c2ccccc2)cc1 254816766 RABGCFUEBAOBJV-UHFFFAOYSA-N 515.569 6.067 50 10 KKGE O=C(NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 254823934 DNPLOBJLOZDIHE-LJQANCHMSA-N 564.466 5.263 50 10 KKGE CC1(C)[C@]2(C(=O)O/N=C3\C[C@@H]4CC[C@@]3(C)[C@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@@H]2Br 256020108 YPMAEAXWRRXLMA-NQTGFGKHSA-N 633.057 6.793 50 10 KKGE Cc1ccc(C(C)C)c(Oc2ccc(C=NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)cc2[N+](=O)[O-])c1 263631265 IZYWMJGXIXKRSK-UHFFFAOYSA-N 564.664 5.757 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1 725387039 MLURVYMAUHKBCE-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(I)cc1 725389288 ZCXCDJRKNPAEOI-VWLOTQADSA-N 554.428 5.563 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 1084034181 YPNPVMWDMYVJKO-XMMPIXPASA-N 702.302 5.977 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1 1084347186 DCQVIRASXINHJO-XIEYBQDHSA-N 668.373 6.617 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c(C)c1 1084438364 FPKYFCNCEJEKEI-UHFFFAOYSA-N 621.601 5.857 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1565517694 SDHSJQVLSHXOFZ-YTTGMZPUSA-N 645.676 6.322 50 10 KKGE CN(C(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015103 XXMGHDJXTXIVPC-PCUKAJSOSA-N 640.615 5.780 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641914 IUWVMNUUFNFRJK-PBHICJAKSA-N 545.171 5.145 50 10 KKGE CCN(CC)c1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c(O)c1 1614706321 VHLMESSWFHPBKR-NQIIRXRSSA-N 508.400 5.026 50 10 KKGE CO[C@H]1C[C@H](C)CC2=C(NCCCCCC[PH](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)C(C)=CC=C[C@H](OC)C[C@@H](OC(=N)O)C(C)=C[C@H](C)[C@H]1O)C2=O 1636887211 ZMEDRUNIJRMZFO-PKMMOYMQSA-N 906.114 7.443 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743827 JTCAYDKESUCALQ-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 1772760384 HUTLCJWQVQLXNE-UHFFFAOYSA-N 525.428 5.155 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701407 UXJAOSKRNLDCEX-MHZLTWQESA-N 563.460 7.127 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)ccc1OCc1c(Cl)cccc1Cl 1865703335 UECDQXQKKPNAAK-VWLOTQADSA-N 527.452 6.350 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705202 OMRBRWAHJLUHHY-NRFANRHFSA-N 536.897 5.982 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865708569 BMBURYIVZYLJKB-XMMPIXPASA-N 501.417 6.686 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865709249 RUJONJUKWBBEQY-QFIPXVFZSA-N 527.378 5.307 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1865713140 RRZRMYVTALVXDR-NRFANRHFSA-N 514.339 5.428 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)C[C@H]2c2ccccc21 1868566332 XDTUMBCIEMTMPY-VWLOTQADSA-N 533.661 5.536 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)CC1=O 1872745649 XBWMMRADXYUSRN-HPOSPOPRSA-N 503.624 5.798 50 10 KKGE CC(C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745933 KKPFUZTVMNQPJO-HUZQBFDWSA-N 508.397 5.686 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(Cl)cc(C)c4OC)cs3)cc2C1=O 1872756891 GKIJAOVAWMQEEB-CEGCDYRFSA-N 507.999 6.125 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccc(C)cc1 1872792386 VXGZAEZHXIRIJA-YZSQISJMSA-N 502.639 8.314 50 10 KKGE O=C(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915312436 JTTIOTFKUZSMLU-SFHVURJKSA-N 516.071 6.028 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(I)c(Br)c1 1923061703 MPDQHRJTLZIGRK-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE Brc1scc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924569986 CLZMDVQUYJXTOC-SCSAIBSYSA-N 653.673 8.106 50 10 KKGE Fc1ccc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924589209 AJJTXSCZNFFVBP-QMMMGPOBSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2COc3ccccc32)c1Br 1924596187 KJFBLERKIXPUQL-OIBJUYFYSA-N 531.889 6.648 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 1950244419 CJLLGHNYZIFYNM-HTRCEHHLSA-N 507.911 7.052 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC23CCCCC3)c1Br 2039006729 SGRRATIHECNKPO-APPZFPTMSA-N 521.938 7.442 50 10 KKGE COC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2061294621 ZLVUDGHFFBYBBG-BKPPORCPSA-N 525.926 6.534 50 10 KKGE CCC(CC)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497334 FSZRVRWOIIHCCF-MRVPVSSYSA-N 570.783 7.999 50 10 KKGE Clc1ccccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469580 BFOWGLKWZQVZBP-LLVKDONJSA-N 597.164 7.874 50 10 KKGE CC(C)CO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 2165529419 DKYPGHOGYQGYQL-OASPWFOLSA-N 676.896 5.456 50 10 KKGE ClCc1cc(Br)c(OCc2cc(Br)ccc2Br)c(Br)c1 2175142961 WHABPDDQMXTVJF-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@H]1C1CCCCCC1 2199993263 ZIYNORXLGVJXDV-JBLDHEPKSA-N 505.541 7.969 50 10 KKGE C[C@@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206406279 XOYFSCVDDDUSDB-KWQFWETISA-N 554.386 8.479 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Cl)c1ccc(Br)cc1I 2207260521 GNQISIOCCGWSRM-CQSZACIVSA-N 530.425 6.461 50 10 KKGE CCCN1C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216423023 ZTFDRYXBZNIORD-BQBZGAKWSA-N 510.915 5.608 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)c(Br)cc2F)c1I 2218598721 VTTJCUBHODCILL-SNVBAGLBSA-N 552.805 5.173 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1ccccc1I 2225632211 AJGAYXZYTDSNII-SNVBAGLBSA-N 562.840 6.634 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(C)ccc1I 2241001758 QUZCHXJVGKFOFL-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)cc1I 2257368462 HMLKPWCUDQFXMU-NRFANRHFSA-N 509.181 6.363 50 10 KKGE Cc1ccc(Oc2c(I)cc(Cl)cc2I)c(CBr)n1 2271378362 QMYAAKMAWKMFDJ-UHFFFAOYSA-N 564.386 5.940 50 10 KKGE COc1ccnc(Oc2c(I)cc(Cl)cc2I)c1CCl 2281105535 JYPYVSNCELVSAV-UHFFFAOYSA-N 535.934 5.484 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2284738945 RDPOTZRYMYKLFR-WRWORJQWSA-N 596.777 7.132 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccccc1C 2293199858 ZMKFANKBYIUQKF-UHFFFAOYSA-N 538.438 6.695 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 2295178747 VGWAULZQCZITFB-UHFFFAOYSA-N 529.530 5.070 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2297459098 TYCANXIUXOVPSN-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE Cc1ccccc1CN(C)C(=O)COC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 2297631154 TWGVMKNLUCGOFJ-UHFFFAOYSA-N 543.973 6.184 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)ncn2C)c1Br 2300296007 GWIFUBSCKFETJE-LURJTMIESA-N 507.871 5.562 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1C 2313511059 LMRNEVAAIDNACB-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1 2313518105 JJMQCWQUURWAIK-UHFFFAOYSA-N 552.412 6.431 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314438746 AZYGAVVOBDKHTO-FQEVSTJZSA-N 531.590 7.100 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591985 IXMUDAWPEHKNHT-RUZDIDTESA-N 546.490 6.439 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314611061 PMCNYTZIEZXLBP-UHFFFAOYSA-N 528.612 6.039 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314617472 YWUGPVXKKHQHBL-UHFFFAOYSA-N 556.666 6.470 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314620201 MKOVGMVQTSYDGC-UHFFFAOYSA-N 621.093 6.317 50 10 KKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@@H](CCBr)COCc1ccccc1 2320354939 QYKVCLPRBJYXIP-SFHVURJKSA-N 534.086 5.241 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)c(Br)c(OC)c1OC 2331319351 KBWMLAXHECRTIM-UHFFFAOYSA-N 501.402 6.165 50 10 KKGE FC1(F)CCC(CBr)(Cc2ccc(I)c(Br)c2)CC1 2349846045 URKXXDTUFUUBTR-UHFFFAOYSA-N 507.982 6.187 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1cc(Br)ccc1OCc1ccccc1)C2 2361200574 KTJFQXAHPBEBAI-ZLGUVYLKSA-N 500.221 7.680 50 10 KKGE Brc1cc(CN2CC[C@@H]3[C@@H](Br)CCC[C@@H]3C2)ccc1I 2377353120 FUKQEXWNNNLQDI-RDBSUJKOSA-N 513.055 5.439 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1 3081851 WOFKAFUMTCHXBM-YSURURNPSA-N 512.143 5.097 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 40530373 AATYALNNZMXCRS-RUZDIDTESA-N 500.938 6.231 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cccc6cccnc56)c(C)c43)coc2c1 40827003 UMGWWBZHEHZGMC-STKMKYKTSA-N 521.573 6.118 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1 40911120 IBXIWEDGWYUNIP-LGJNPRDNSA-N 503.780 5.219 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(-c2ccccc2)cc1 100061442 KSFOQALCGMFCGB-UHFFFAOYSA-N 554.238 5.872 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240882 JBCZRHACXNNOFY-IEQIIXMPSA-N 536.484 6.298 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101242959 ZPTDDYUBAYFCCL-VAMWZUOXSA-N 516.066 6.206 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244914 GHEHQWYJLQAFKU-HHPODCHXSA-N 509.675 6.746 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101334929 USKXSLDAFJYXLD-WGOQTCKBSA-N 504.977 5.985 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 101335965 KCOKENIVJWIRFC-OVVQPSECSA-N 524.621 5.345 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101361844 XFHAHDOQENNJOJ-AREMUKBSSA-N 525.388 5.985 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379066 KMXSSEJWTACNAK-HOZWFMMPSA-N 569.444 7.409 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379186 FBMGOFOVDWZEPL-MGBGTMOVSA-N 595.095 7.925 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379215 JESWSJJPWPNYTG-JGCGQSQUSA-N 581.068 7.391 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc(OC)c1OC 101384190 ZWMKFQCTGZZZLQ-SSEXGKCCSA-N 582.584 5.868 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101386724 QVYSNKAQQWHHSW-HKBQPEDESA-N 597.555 5.524 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101396398 ROKHELDKKJIPTH-NDEPHWFRSA-N 581.496 7.644 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614627 QHHCBZUWVGPCGK-KLPHOBTLSA-N 548.242 6.137 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 102666300 HQTUHZFBCVRIEG-QPSWJSTDSA-N 508.430 6.367 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(C)=O)c1C 103628864 MSTANWGPLYRODA-XNTDXEJSSA-N 516.442 6.298 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@H]2CCC[C@@H]2c2ccccc2P(c2ccccc2)c2ccccc2)c1 106804835 YJHRUEONIJPVAL-CMWBPUIWSA-N 598.751 9.084 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1 109557447 KYZPNNLLPVURBF-CYVLTUHYSA-N 558.666 6.095 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(Br)c(Br)s1 128228943 OOZMYQHNLFZEMV-SNVBAGLBSA-N 525.832 6.798 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(F)cc1 150431627 KGIPJLYGIKUNIU-SANMLTNESA-N 656.535 6.701 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1F 150443264 LJRMCIKODIREMM-YTTGMZPUSA-N 669.503 8.058 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)cc(Cl)c6c5Cl)ccc43)cc2)cc1 150482914 JFHIHPOQARXNDD-MUUNZHRXSA-N 647.967 9.186 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 150486376 PZPKNHLTBXEACG-PGUFJCEWSA-N 639.148 8.324 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164626686 MKQGMRCNEAPRDR-FDAWAROLSA-N 640.319 7.149 50 10 KKGE CCOc1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214344275 BLMXWWYVNFREEP-SZJFIWSWSA-N 510.565 6.157 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2ccccc2CN(Cc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)[C@H]2CCCC[C@H]2N)cc1 215765879 NREBRZNMKPGZHZ-LYINUXIMSA-N 718.906 8.709 50 10 KKGE COC[C@H]1C[C@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CC[C@@H](Br)C4=O)N(C(=O)OC(C)(C)C)C1 217682408 RNASTNSTOJLQQE-XNWMQKSCSA-N 628.516 5.136 50 10 KKGE O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccc(Cl)cc1)N(c1ccc(Cl)cc1Cl)C21C(=O)c2ccccc2C1=O 253573527 RNHGEENJOGFIAY-QHAWAJNXSA-N 526.759 5.342 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCCC)cc3)c(OC)c2)cc1 254481642 DPKFRCVOLKEVEX-UHFFFAOYSA-N 518.610 6.036 50 10 KKGE O=C(NN=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccccc1Br 254484953 VKWNRCGIAVIBGE-UHFFFAOYSA-N 509.381 5.134 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)c1ccc(NN=Cc2c(OC)ccc3ccccc23)cc1 254582573 VORWUJZFXCZFDK-UHFFFAOYSA-N 502.574 6.220 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 254711662 QDOCCSFMGIKSPR-UHFFFAOYSA-N 508.530 5.288 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1O 254743308 YPBLOEGKWGCUKG-UHFFFAOYSA-N 515.639 5.188 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc(C(C)(C)C)c1O 254814859 WTVSCSNRDNMOQJ-UHFFFAOYSA-N 541.721 6.477 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Br)cc2Br)c1Br 380271999 XZMCKLNRVQNNJA-SECBINFHSA-N 557.849 7.539 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@](C)=O)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H](O)[C@H]1O 504642263 MEIKKMCUTRNHMT-VRMOQMCSSA-N 679.405 5.437 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616585881 GEYKFJRDKMXPMQ-AQOUKQHESA-N 702.964 7.691 50 10 KKGE Cl[C@@H](c1cc(Br)c2c(c1)CCCO2)c1cc(Br)c(Br)s1 689609593 GHHWSIUVGKRNEL-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1Br 696714220 SENGBIAMVKLQFS-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE O=C(NCc1cccc(Cl)c1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238564 VSBLBRCJSRQBNZ-FQEVSTJZSA-N 501.357 6.050 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084191006 KPMIGMBNYPHCPM-AWEZNQCLSA-N 602.765 7.628 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1 1084250906 OXBWMXRAAPIONL-JOCHJYFZSA-N 611.249 5.736 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084277179 KRJPEHMLKGMBRF-UHFFFAOYSA-N 760.321 8.304 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084300536 USRDOJVXSCFADB-UHFFFAOYSA-N 542.101 5.794 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Br)cc1 1084310506 MDJMSNNLGCMVDR-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084386164 ARCRTXUKRXLWCQ-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084425726 ICKCKZHEJNKCCN-UHFFFAOYSA-N 522.501 7.598 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 1084520566 XMCPJSNGDDTJHD-YVLHZVERSA-N 510.844 6.390 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1 1084584657 NJBZFIASHVLECE-UHFFFAOYSA-N 505.574 5.283 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Cl)cc1Cl 1084623880 LEHGCXBPYOMSCU-UHFFFAOYSA-N 634.095 6.712 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744044 PHHPBXALHCIJGW-UHFFFAOYSA-N 592.877 7.519 50 10 KKGE COc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1Br 1772756543 OWIFSPZIQALRCE-UHFFFAOYSA-N 504.606 5.020 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)CCCC(=O)OC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848435671 OWGWSEUEDPLMHW-GRMGMSKFSA-N 645.130 11.166 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688847 CJLHYKDUTAGUIU-QFIPXVFZSA-N 523.431 5.196 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865691280 OJZKIISEZQJMKB-HSZRJFAPSA-N 551.485 6.518 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865692788 IFZXEPTWCNDSNS-GOSISDBHSA-N 549.347 5.669 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccn2C)C(C#N)=C(N)O3)cc1 1865699450 UMYJJBDROSLTCU-JOCHJYFZSA-N 506.393 5.470 50 10 KKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705526 YLOFXGCHSUUSQJ-JOCHJYFZSA-N 513.381 5.354 50 10 KKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865705527 YLOFXGCHSUUSQJ-QFIPXVFZSA-N 513.381 5.354 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865706947 JQPGVFBVBPUKIF-UUWRZZSWSA-N 573.700 7.937 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708417 WNCPOOBXVCVGKB-QFIPXVFZSA-N 507.352 6.212 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1O 1865714314 HAIDBSKZCBBTGP-JOCHJYFZSA-N 535.387 5.787 50 10 KKGE CCCC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)Nc1ccc(SC#N)cc1 1866586330 RQJGBLYNOCKOML-QHCPKHFHSA-N 508.669 5.460 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866651557 NLDSOPRVOWOZNR-SANMLTNESA-N 526.618 5.146 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H]1c1ccc(F)cc1 1868434066 WIRDAXUGDHYTFL-VWLOTQADSA-N 531.060 6.746 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)\c2ccccc2)cc1OC 1872748296 RNHAPUHERDYMHT-BJGRWJNTSA-N 501.007 7.514 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1 1872753357 TTXWGCSHDQRBRR-OWGOKANHSA-N 515.679 7.001 50 10 KKGE Cc1c(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1872753666 IFAURSYTKYEYOC-FLFQWRMESA-N 500.492 6.677 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OCC)ccc3OCC)cs2)cc1OC 1872792537 DZTLPASKJGCERP-CJLVFECKSA-N 506.668 7.639 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)s1 1923048553 HPDHPVVGSNWEJT-YFKPBYRVSA-N 520.320 7.779 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(I)ccc1Br 1924041275 UJRVMTXUTMCODH-RMLUDKJBSA-N 559.865 6.451 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 1924591341 QALNJMFPAKAIFS-JBDRJPRFSA-N 521.938 7.298 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595399 YNURITUOKOBCEM-VIFPVBQESA-N 542.287 7.265 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924599577 JLFUKVAJLXDRLD-QMMMGPOBSA-N 604.728 7.561 50 10 KKGE Fc1ccc([C@@H](Br)c2sc(Cl)cc2Br)c(I)c1 1948822316 CHMFFSCKXFVCDS-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE Cc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)n1-c1ccc(Br)cc1 2053612701 LUQQLSVFZOJBJU-UHFFFAOYSA-N 539.296 7.807 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@@H]4OC(c5ccccc5)=N[C@@H]4c4ccccc4)C(C)=C([C@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 2054338571 ZAXCJOQYACAQIY-NGCMAZHDSA-N 950.167 7.820 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(I)cc1 2082377615 SFOGDUGFINWCMG-AWEZNQCLSA-N 500.399 6.500 50 10 KKGE CC(C)C[C@@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494221 KNQCQTCGQCRSHR-RDDDGLTNSA-N 570.783 7.855 50 10 KKGE Cc1ccsc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496100 UVORKLLTQSZCQF-NSHDSACASA-N 582.775 7.591 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 2086382808 XIGJLRQEMGOZAF-CYBMUJFWSA-N 502.009 5.998 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1Br 2137636797 IGZYSOHFXYQSCI-NSHDSACASA-N 509.872 7.073 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@@H]3CCCC[C@@H]23)c1Br 2141469218 SWWLKWIIOAFQOL-CZQYDQBASA-N 580.778 7.609 50 10 KKGE C[C@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141470261 FRGJACMEZRFKTM-HTQZYQBOSA-N 584.810 8.245 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)ccc2Br)c1Br 2201078246 MCQYJKWCCIZASZ-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE FC1(F)[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206393952 CYHQYIYWSXVYGH-QWRGUYRKSA-N 558.280 7.452 50 10 KKGE O=S1(=O)C[C@H]2C([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]2C1 2206397208 GOTWOTCLQWYBFQ-LLORDRAXSA-N 572.338 5.307 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)c(F)c1F 2207274804 FRGUAODGZFBNQX-LLVKDONJSA-N 584.793 6.718 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@H]1CC1(Br)Br 2224805386 MWYPQDDCIPTJSF-HTQZYQBOSA-N 518.418 5.447 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232509303 CEXSNKUKCLGRDV-NSHDSACASA-N 526.252 7.795 50 10 KKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)s1 2263525067 LSJJWMREZWVLRC-LBPRGKRZSA-N 517.906 7.023 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2Br)cc1I 2269544820 PJNMGXJIMCYTJC-CQSZACIVSA-N 516.398 6.200 50 10 KKGE COc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)cc1I 2285016309 XZKUWTYAARLPMT-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC 2293202152 KUCGOCUWAFKBBD-UHFFFAOYSA-N 554.510 7.010 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 2313521307 FGMPGODGHALDCC-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1 2313568681 VYDZSHKSBKUZHO-UHFFFAOYSA-N 508.210 5.184 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(F)cc3)nc12 2314531760 DTAIYIQBCSMHBB-UHFFFAOYSA-N 509.324 5.787 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccccc3)nc12 2314532574 LMPLHZMBKDXBCO-UHFFFAOYSA-N 501.340 5.103 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C(C)=C(C#N)C1=O 2314611332 UAQFJPJHFZXGBG-UHFFFAOYSA-N 531.410 5.313 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314616812 KGRVDYAMVQFWQX-UHFFFAOYSA-N 572.640 6.792 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C(C)=C(C#N)C2=O)cc1 2314617338 WKGVZJHATZJRLV-UHFFFAOYSA-N 518.548 5.479 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618714 SFWSCHHLFHBGBJ-VWLOTQADSA-N 554.650 6.766 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Cl)sc(Br)c2Cl)c(I)c1 2317772507 DGGUPBHBQYVPDA-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE N#CC(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1Sc1ccccc1 2325339353 CKVCJJAVEHPDIR-UHFFFAOYSA-N 507.459 7.333 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)OCc2ccccc2)c1C 2329687188 HKWFVYCDMOJJSA-UHFFFAOYSA-N 508.983 5.789 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331250968 CJLKPILWXOWZHI-LBPRGKRZSA-N 520.825 6.625 50 10 KKGE Cc1ccc(S(=O)(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331360132 GNQYLBNVSSIZTE-UHFFFAOYSA-N 503.605 5.682 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)COc2cc(Cl)ccc2Cl)n1 2331362805 SOSJGRXJTMMRAP-UHFFFAOYSA-N 502.206 7.304 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC 2331416491 IIGWZDFPDZBSFR-UHFFFAOYSA-N 525.674 7.063 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338784536 PDXJRMDHRUJSLC-KBIXCLLPSA-N 535.965 7.688 50 10 KKGE Clc1cccc([C@H](CI)OCc2cc(Br)cc(Br)c2)c1 2362247152 HDBAAHMDXUHKBE-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccc(Br)cc1 3143425 XGTWTSMPIZVMQE-UXHLAJHPSA-N 543.373 5.651 50 10 KKGE N#C/C(C(=O)N1CCN(C(=O)c2cccs2)CC1)=C1/SC=C(c2ccccc2)N1c1ccc(F)cc1 37442413 WAEAYTVOVSBELF-QYQHSDTDSA-N 516.623 5.159 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 38659647 SSPZVJOYYWSXPA-GDLZYMKVSA-N 514.578 5.420 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 40530357 ZRHFONQOKDEIDZ-HSZRJFAPSA-N 502.979 6.391 50 10 KKGE O=CC[C@H](C[C@]1(F)C(Cl)=CC(c2ccccc2)=C[C@H]1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 95936670 YKZMRPKLINDMDF-TXJANDSUSA-N 516.396 5.707 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 100049215 NPJDYJVHSZPPJF-WMFSDKRHSA-N 624.352 6.919 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100082052 LILOTNJTNGJQJJ-UHFFFAOYSA-N 593.341 5.377 50 10 KKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)N/N=C/c5cc([N+](=O)[O-])cc(Br)c5O)(C4)C2)C3)cc1 100489853 GZBXUDMWUUWJJQ-JPXUBMEPSA-N 527.419 5.295 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246222 XBRGUULPYZYMAZ-IDJUBOEBSA-N 501.583 5.598 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101332250 PRYPHHGWCRJZHL-VULFUBBASA-N 569.448 6.647 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101336137 MSHPQUFAEHNIJK-TWKHWXDSSA-N 566.702 6.372 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101336541 DUJJKLUOZHEVGD-OKCVXOCRSA-N 557.654 6.070 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101340693 GPEAOCLZNUKIFF-ZVHZXABRSA-N 580.000 5.902 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OC 101369104 WTVSMKLTPGHWRQ-VWLOTQADSA-N 535.394 5.684 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 101375437 RTTWSNINLATRGR-YTTGMZPUSA-N 570.686 7.269 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101383080 QKMBWHJBILRPPY-DHUJRADRSA-N 599.086 7.875 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387899 IXLXSQITCKGNIS-DHUJRADRSA-N 590.676 6.792 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101395818 LVLDAMSGBYHWSK-NDEPHWFRSA-N 597.495 7.263 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)oc2c1 101397685 XBEVKMYHTPOZDR-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1 101399780 PUVYRXDZLYBYQG-YTTGMZPUSA-N 621.045 6.861 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3Br)cc2)cc1 101713030 KPMBCQJNTZHYQB-LGJNPRDNSA-N 532.232 5.628 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)CCCOc3ccc(C(C)(C)C)cc3Br)cc2)cc1 101766831 BTTMOCKJSLTQCX-ZCTHSVRISA-N 537.498 6.943 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 102301346 AJAQKWMFKZGIDZ-SPFNCTEXSA-N 562.686 7.052 50 10 KKGE Cc1ccc(N/C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)=C(\C#N)c2nc3ccccc3s2)cc1 102931223 QLNKQOXWQUJFKN-MOHJPFBDSA-N 559.038 7.953 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 102932963 UWUFDSJWTABDQC-PXNMLYILSA-N 539.312 7.285 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1 103877347 WYEJDJZMTNCAHW-WKULSOCRSA-N 568.265 7.029 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1 103878738 RMRSQVFKYNSAED-UVHMKAGCSA-N 605.226 6.151 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 105626952 QFAZUABLAQONDJ-LQNQUEJISA-N 587.386 5.593 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 105626969 ITNVYHMZUVIKCY-ZMGVVAQMSA-N 611.279 6.991 50 10 KKGE Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2NC(=S)N[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)cc1 150418913 GJWAXEDSCJWXKC-VWLOTQADSA-N 671.072 5.329 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150427167 WMMRJJRDIFMYNQ-UHFFFAOYSA-N 665.958 5.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462112 MMXXGYWRQZAFEG-NKJFVREDSA-N 638.334 8.716 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(OCCCCOCCC)c(OC)c3)c(C)nc2C)cc1OC 150477494 BGJLQTWTYQDNDE-CTQPMARESA-N 717.908 7.568 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1 164651046 HMMZYSLKJDDCPS-HPNXWYHWSA-N 655.536 7.799 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 196944937 DAZIGOPASNJPCJ-DZTNRWDGSA-N 787.990 7.753 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205650466 HJVJUEGSCQQEBX-SUFIFVMZSA-N 524.617 6.410 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 206414503 LYIQWHLWFURIRO-QNGOZBTKSA-N 534.634 6.334 50 10 KKGE O=C(CSSCC(=O)Nc1ccc(Nc2ccccc2)cc1)Nc1ccc(Nc2ccccc2)cc1 206465183 UYUOJVNQZVGVFO-UHFFFAOYSA-N 514.676 7.132 50 10 KKGE CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 206562627 WZGPIBBCDYPFDI-PPXNOBOXSA-N 577.795 5.911 50 10 KKGE in-vitro CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214409195 PHJVIEKYFNFCDS-APTWKGOFSA-N 612.636 7.189 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1 233790920 MRDJTILSLWUXAX-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)cc2)cc1 252589402 AKKYKUIBVYLXPQ-GMYZUSBHSA-N 519.443 5.217 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 253576089 VJZSQNDZHNEOCP-MTDXEUNCSA-N 563.709 5.712 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc4ccccc4c3)n2-c2ccc(C)cc2)cc1 254607989 SFMJJFCPOBGRIO-UHFFFAOYSA-N 521.646 6.037 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)n2-c2ccc(C)cc2)cc1 254703272 RWACIMDUPAOLSE-KPVCSSHASA-N 518.042 5.725 50 10 KKGE CC(C)[C@@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](OC(=O)c6cc([N+](=O)[O-])cc([N+](=O)[O-])c6)CC[C@]5(C)[C@@H]3CC[C@]12C)[C@@H]1C(=O)OC(=O)[C@@H]14 254758242 GUHFPOVODRBWFL-OZLCEDQQSA-N 688.818 8.018 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1ccc3ccccc3c1Br)[C@H]2Br 256019900 LNLXXUMEJFPTAZ-YSSFQJQWSA-N 609.978 7.194 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308409778 CFLQFGFTFCHRQN-HNNXBMFYSA-N 525.860 6.393 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 380059889 UXXKUAVAJPHMFN-INIZCTEOSA-N 528.453 7.117 50 10 KKGE Clc1ccc(I)c(C[C@@H](CBr)Cc2ccccc2Br)c1 405330886 GMKCHZXNCQHAFV-NSHDSACASA-N 528.453 6.503 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2)cc1 725406148 WGZSDQBIAUBRNH-UHFFFAOYSA-N 595.519 5.211 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl 725426539 YAGSHNCOQFMWFY-YBFXNURJSA-N 558.803 6.386 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1083952841 UCQFEZLVCXHHPP-UHFFFAOYSA-N 609.258 5.804 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1Cl 1084024280 CVVMBOZAGYVBNT-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OC(=O)c1ccc(Cl)cc1 1084052550 NSCSGYDUGQWDCH-UHFFFAOYSA-N 548.764 5.326 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084542418 LAXDTMFSCCYUJM-HSZRJFAPSA-N 634.321 5.882 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748856 OOLPCRNIJFEISE-UHFFFAOYSA-N 519.645 6.952 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 1772754885 BSDMDCIVYZAZEG-UHFFFAOYSA-N 594.202 7.981 50 10 KKGE CC(C)(C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](CN1CC[C@H]1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C 1848441272 QLNZEDMBROJNIN-VXNXHJTFSA-N 578.823 5.430 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665541 VOXJHJRLIGNTTG-JCFKKHOKSA-N 644.722 9.986 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865691925 FBGNTCIYOSNXGC-XMMPIXPASA-N 516.960 5.626 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692795 PHSWSPVVLDMWFF-XMMPIXPASA-N 549.414 6.090 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865693253 MPCJGGDJYKQMES-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695220 NADQFRBIWINZFY-MUUNZHRXSA-N 559.041 6.401 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696951 LVWCFIHZPXLSPC-HXUWFJFHSA-N 553.368 6.604 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1F 1865702001 KMHOYGYGSJQZBO-OAQYLSRUSA-N 505.322 5.798 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCc1ccccc1C 1865703099 MXAKQUHGAHQOHM-NDEPHWFRSA-N 536.632 6.083 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703779 FLYLIYIGMXSGHC-SANMLTNESA-N 531.443 6.598 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703841 GQNSAJABSHZYIV-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865706801 FYMJVKAFHPDUDV-NDEPHWFRSA-N 578.113 5.401 50 10 KKGE CCC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678935 DCOVSCYWDLMLFA-QHCPKHFHSA-N 504.656 5.987 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867128418 HLYQXUAWHACBCV-YTMVLYRLSA-N 588.104 6.949 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@@H]3C2)n1 1868300274 ALXVYMBMOLUWGS-MHZLTWQESA-N 546.700 6.450 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748852 PXLIETYLUIDBGH-AWMROSOHSA-N 514.390 5.749 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1csnc1Br 1899875268 VMDCHOVYGGKPJB-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cnsc2Br)c1 1900430891 BPZMMJAQDRPBCJ-INIZCTEOSA-N 518.068 6.731 50 10 KKGE ClCC1(N(Cc2ccccc2)Cc2ccc(I)c(Br)c2)CCC1 1904344863 ZKDIZYSLHNFMCU-UHFFFAOYSA-N 504.637 6.217 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)s1 1948827727 CXHRCVWWGRJPKK-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Clc1cc(Br)c([C@@H](Br)Cc2ccccc2I)s1 1948829507 UMVRDVRBRNFBCE-QMMMGPOBSA-N 506.428 6.447 50 10 KKGE Brc1ccc([C@H](Br)c2csc(Br)c2Br)c(Br)c1 2024281066 DCYUPNIZJFLFCT-VIFPVBQESA-N 568.748 7.282 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 2025781306 AMZYKGBQVCYLRJ-NWWTUURKSA-N 555.728 5.781 50 10 KKGE Cc1nc(I)c(I)n1CCCCCCCCCBr 2028583204 HZKJRZITQGSNMG-UHFFFAOYSA-N 539.037 5.526 50 10 KKGE Clc1c(Br)ccc(CBr)c1Oc1ccccc1I 2036848987 OLRQMPHKJLOBCE-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)s1 2092335871 RNMMWTXGCSDLPP-GFCCVEGCSA-N 533.905 6.666 50 10 KKGE CC(C)(C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2141469903 XPQSKKJUYWSNIQ-SNVBAGLBSA-N 538.343 7.843 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)oc1C 2141472886 JDFGUEFPLFBKHN-CYBMUJFWSA-N 580.734 7.431 50 10 KKGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CCBr)CC1 2149749178 UDGJWFCRXHUGTN-NSHDSACASA-N 515.027 5.081 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc2c(s1)CCSC2 2233977576 WEPPLTMBLGKIOP-CQSZACIVSA-N 501.078 6.686 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1ccc2c(c1Br)CCO2 2238067652 QVCUAYGRCOPIPJ-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE CCN(C[C@](C)(CI)OCc1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2271580351 NLGHKYNNXAURGY-SFHVURJKSA-N 548.206 5.695 50 10 KKGE COc1c([C@H](Cl)c2cc(Br)sc2Br)cc(Br)c(C)c1C 2284584857 QOWJBUPOZPIJTN-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 2293972406 OQVJZXGHQIRVPZ-UHFFFAOYSA-N 567.045 5.546 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OCc1ccccc1 2295483051 VLYVPQUFEZDKRN-UHFFFAOYSA-N 563.610 5.314 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2295523558 OGZABAXHWOGWPQ-UHFFFAOYSA-N 582.660 6.046 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 2296506824 GUKCINIYVVROFO-QFIPXVFZSA-N 563.293 7.365 50 10 KKGE O=C(C=Cc1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 2297193204 IYXIQVMCIGFOSM-UHFFFAOYSA-N 538.647 6.285 50 10 KKGE Cc1ccccc1N1C(=O)[C@H](Cc2c(Cl)cccc2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2297467170 WDIVLBRZDYIKGQ-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE ClC[C@@H](Br)[C@@H](CCl)OCc1cc(I)ccc1Br 2302818449 DVPNRZCFLAOPQY-GHMZBOCLSA-N 516.826 5.180 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 2313521614 ZREUZWRSROLGOL-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570645 BUWBDWDZOMLGRQ-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE O=C(C=Cc1cccc2ccccc12)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313611042 ZWFNIHNNLDJGBI-UHFFFAOYSA-N 554.238 5.758 50 10 KKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 2314482375 JJURAJXOJSGZNO-UHFFFAOYSA-N 506.634 8.394 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610955 ORNFQVMQVQSMFX-OAQYLSRUSA-N 524.690 6.822 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314616522 COQVYINFPPRONM-UHFFFAOYSA-N 584.720 7.108 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 2314618775 UFMCMTHVURCTKQ-NRFANRHFSA-N 510.565 6.157 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc2ccccc12 2314634690 ZRDIDSXCECEDPJ-NDEPHWFRSA-N 513.380 6.984 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C(C)(C)C)C3)cc1 2314737820 WQMFRABIWBEDOV-NRFANRHFSA-N 508.684 6.800 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 2314772540 GABQHMSNHBNOEE-UHFFFAOYSA-N 563.876 5.924 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cscc2OCc2ccccc2)c1Br 2315450557 FDTHBYNJCJADIK-MRXNPFEDSA-N 569.515 8.129 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(=O)NC3CCCCC3)cc2)ccc1OCc1ccccc1 2321697702 JKXNPUZAYQHFMK-UHFFFAOYSA-N 529.637 5.256 50 10 KKGE COCC(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]1CC[C@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)C=C(C)C=O)[C@H](C)C[C@@H]2CC[C@H](OCCO)[C@H](OC)C2)O1)OC 2333231313 IWYZQBWTMLODNQ-WOXMDQKUSA-N 958.240 6.653 50 10 KKGE CC(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349777844 FQUWFIGWHWABSF-MCIONIFRSA-N 500.056 6.432 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Cl)cc(Cl)c2)c1Br 2362229244 JANGQWYNPYXJHP-NSHDSACASA-N 526.252 7.795 50 10 KKGE Fc1ccccc1C(CBr)(CBr)Cc1sc(Cl)cc1Br 2372290313 ZOWNFCWZPOYEAH-UHFFFAOYSA-N 505.472 6.573 50 10 KKGE Brc1cc(CN2C[C@H](Br)C[C@H]3CCCC[C@H]32)ccc1I 2377317642 PXXLXGQWSACWIC-XJKCOSOUSA-N 513.055 5.582 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCc1ccccc1 6906525 GXCLTUSSGIFERW-MFOYZWKCSA-N 542.773 6.144 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 13834865 WPTTVJLTNAWYAO-BRCPUVQUSA-N 505.699 6.379 50 10 KKGE O=C(c1ccccc1SSc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 29469273 MEVMWMDOFRFJJQ-JYFOCSDGSA-N 674.936 7.428 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2[nH]1 33385773 HNEJXFWJFWQKGF-MOHJPFBDSA-N 511.560 7.198 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(O)c2cc(Br)ccc2n1 35519811 RYRRSIHWJOPCKV-SFQUDFHCSA-N 501.340 5.180 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 97968661 PHHRKJBYYFUAEA-DIWDRYHZSA-N 563.293 8.015 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101333051 FIOJOXVRAWZXQT-NDZAJKAJSA-N 560.629 6.650 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101334355 PCXYUZOVDPGQQC-ZWFLUXFESA-N 577.084 7.162 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 101340744 MPPMCUDGMAFTRK-RDRPBHBLSA-N 577.084 7.082 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362379 DUJULDLFSGSBHY-PMERELPUSA-N 573.432 6.775 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101367057 MOAPCFHHSCGYEY-WJOKGBTCSA-N 532.596 6.050 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 101368980 WOLZXHIIHIWXCR-SANMLTNESA-N 549.421 5.930 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 101375430 QXPZWAWOLQWJNT-XIFFEERXSA-N 584.713 7.661 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385807 WRONVJNFZQFBRI-MGBGTMOVSA-N 611.094 7.400 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101386604 OGQGEMIJCFDUBP-WJOKGBTCSA-N 597.555 5.524 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccccc1F 101388813 JILGOQONFRONDO-HKBQPEDESA-N 566.585 6.249 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 101394870 LDIDZUJYVACXGG-MVGOESIASA-N 560.735 7.774 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101395626 FKEZERYGVCUEEN-MUUNZHRXSA-N 623.558 8.613 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1 102666246 AYDOKPPTHJEHAW-VECHRTTRSA-N 566.466 6.235 50 10 KKGE COc1cc(C(=O)N/N=C/c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc(OC)c1OC 102739222 SIBLVCUVZMOSGY-JVPXVCITSA-N 568.076 5.536 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)cc2)cc1 102995159 POSZZINXPRDTII-SWNXQHNESA-N 608.141 5.916 50 10 KKGE O=C(CCCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 109330384 PCMGMWIUGOSVEJ-QNNNQOJKSA-N 576.697 6.396 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c1 110557881 AFKRSGHOGIOCKJ-HKOYGPOVSA-N 557.676 5.166 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)C[C@@H](C)O1 110558374 VERWNHHSYSJYHR-GNOAMTAQSA-N 578.698 5.288 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150429970 NFPPHVJUZZQHQN-IYLMVCPTSA-N 639.148 8.032 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 150497988 ZPCKVORGIMGIOO-ZCTHSVRISA-N 645.546 8.218 50 10 KKGE BrCC1(COc2c(I)cc(I)cc2I)CC1 155536258 FGRGFJCMSPWRMC-UHFFFAOYSA-N 618.816 5.054 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 205659358 VYHZZEDFQFVCRH-ZVDZYBDISA-N 510.590 5.957 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 214271076 SMLKSYPFNMZRSL-QQXSKIMKSA-N 506.606 5.661 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C2=O)cc1OC 214369335 MOPVMTCHFFCFNP-GTWSWNCMSA-N 616.718 6.426 50 10 KKGE COc1cc(Br)c(Oc2ccc(CBr)cc2Br)cc1Br 234917618 RKSYSHFXCXATIR-UHFFFAOYSA-N 529.848 6.670 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 252634147 WKMVNCAWJSKIAI-KWMIQRHLSA-N 557.448 5.696 50 10 KKGE O=C(COc1ccc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)cc1)NCc1ccccc1 254841968 YJHPFWAEKJCPFJ-UHFFFAOYSA-N 521.642 5.335 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccccc1Cl 254862207 QCSBECHSQKGEJP-UHFFFAOYSA-N 566.235 5.903 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2OC)cc1 254874642 NYUBJDHPUKXPST-FQEVSTJZSA-N 635.739 5.545 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(C)cc1 256028360 HDIRRODZJWXFGH-UHFFFAOYSA-N 597.560 6.496 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CCl)[C@@H](c2cc(Br)ccc2I)C1 382707108 FTBUDUXVFSXQKQ-MFKMUULPSA-N 500.602 5.243 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@@H]3CC[C@]12C 504081795 UAMJDBHGEBLGGF-PMKFHUMOSA-N 579.773 10.898 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@@](C)=O 504642260 MEIKKMCUTRNHMT-MKFWCTISSA-N 679.405 5.437 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OC(=S)Oc2ccccc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 504774039 SWCSKDJCJJBGIZ-OOJKEJCUSA-N 736.963 7.995 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591121 WUWBJKZWDLYUSB-DXKYAHCESA-N 684.943 5.808 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 721589720 UKYBHDLVNKXFHI-INIZCTEOSA-N 572.904 7.226 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 725381568 STMPIMKDPGYJDC-UHFFFAOYSA-N 589.039 6.112 50 10 KKGE O=C(NN=Cc1cc(I)cc(I)c1OCc1ccc(Cl)cc1Cl)c1cccnc1 1081123549 MBIRHQGDTBNMQZ-UHFFFAOYSA-N 652.057 5.941 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 1084129885 TVWMCBUUFQGIGD-UHFFFAOYSA-N 520.976 7.137 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@@H](O)[C@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294743 XDBLYTWRNMYVCA-BNTCZCOTSA-N 544.937 8.836 50 10 KKGE COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084619058 OROVXQOXDRJREZ-UHFFFAOYSA-N 615.495 5.075 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Br)C(C)C)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538096 RHVUWCOPIAXOFJ-YWPZFETJSA-N 565.746 10.076 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743819 JHJLCUXXZMIEJO-UHFFFAOYSA-N 523.412 5.683 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccccc1OCc1ccccc1Cl 1772755047 JGUKCDQQMLAMIL-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684801 YRZTYAPSALFIOG-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865687456 ROWRXOUEHMOWFM-AREMUKBSSA-N 516.642 6.010 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688851 CKEBQBPQNQJLBS-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865692506 MRTLVBDOVPZOBM-QHCPKHFHSA-N 567.484 6.137 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865696243 CUSCABKXYIOMRZ-SFHVURJKSA-N 565.346 5.288 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865696851 RVHRJLMGMSZQAT-MHZLTWQESA-N 500.643 5.988 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865697139 NZCQBRQEHOJRBD-XMMPIXPASA-N 527.452 6.206 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCCCc1ccccc1 1865697487 UPFHBIJAHYOFMH-VWLOTQADSA-N 546.549 6.129 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865702399 UZJDLCCHIZDCBS-QFIPXVFZSA-N 570.249 7.025 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865702993 KETJPQRLQLTEGX-LJAQVGFWSA-N 528.612 6.708 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704627 AKDGTRVOTIBNJT-QFIPXVFZSA-N 550.924 6.041 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704803 FDHVBBNIGGEHAE-VWLOTQADSA-N 512.997 6.207 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865709088 NKTQZCCXWGVBHI-AREMUKBSSA-N 520.589 5.229 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1865714508 MBUZUGWUPQNNCB-INIZCTEOSA-N 509.713 5.584 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)Cc2c(-c3ccc(F)cc3)[nH]c3ccc(Cl)cc23)c2ccccc2)cc1 1866933005 WSPSDXIANREBOY-PMERELPUSA-N 569.061 7.239 50 10 KKGE CC/C(=C\C(=O)NC(C)(C)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867129103 VEARNJWBIICHEY-NTCAYCPXSA-N 502.434 5.358 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868433412 LEMFTPKJTZJSLJ-UHFFFAOYSA-N 571.150 6.877 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)nn1C 1868454172 BBYWOGLKEGRKGR-UHFFFAOYSA-N 500.607 5.420 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](c4ccccc4)Cc4ccccc43)n2)cc1 1868544973 QJSHPGIDVHRQQC-MUUNZHRXSA-N 567.762 9.236 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1OC 1872744077 GJEQIPMKTQALJN-GFMRDNFCSA-N 513.531 5.166 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)c(Br)c(OC)c1OC 1872746365 DTMOXWKIQXTZTG-AQTBWJFISA-N 507.793 6.202 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1C 1872746413 GWDRIBUORTUGEH-TYNKLVQMSA-N 519.623 5.028 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746533 MIYGXVAJKNRUFC-MNDPQUGUSA-N 510.240 7.531 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC)cc3OC)n2)cc1OCCC 1872817853 AGAYFPXAROSNJE-HXYGAVEPSA-N 506.624 6.911 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2cc(Br)c(Br)s2)s1 1901025427 GQNPESIENRILBL-SSDOTTSWSA-N 532.875 6.921 50 10 KKGE Cc1cccc([C@H](Cl)c2sc(Br)cc2Br)c1I 1922940955 MTHCOQYRYAZQMM-JTQLQIEISA-N 506.428 6.514 50 10 KKGE CC(C)C(C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924584045 SJCZZSBLGCMJQB-VIFPVBQESA-N 511.943 7.400 50 10 KKGE Clc1c(Br)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924595191 VWVUJEOUINNQSW-SECBINFHSA-N 558.742 7.780 50 10 KKGE COc1ccc(OC)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924602284 VKUBHEMQFAXBOB-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)sc1Cl 1950178078 PXFAXDRTGKBNEJ-YFKPBYRVSA-N 564.771 7.888 50 10 KKGE CO[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780230 QFDVUAUUZAADHM-FXBZRMGESA-N 512.261 6.051 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1Br 2135274962 ZSFRQCWZBSASCV-IQJOONFLSA-N 535.965 7.688 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2166118977 KAGXHDDHZWTVMR-BTQIBKBOSA-N 505.541 7.969 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)Cc2cccs2)c1Br 2179826780 WSURXAMBBJQBMW-UHFFFAOYSA-N 529.319 6.105 50 10 KKGE Fc1cc(Br)cc(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1CBr 2186709928 IHMMQMJGXUWSDQ-SFHVURJKSA-N 510.167 5.736 50 10 KKGE COc1cc2c(cc1Br)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2202293441 NSLIEFROXIHISR-UHFFFAOYSA-N 540.889 6.018 50 10 KKGE CN(C(=O)c1ccc(Br)cc1I)C1(CBr)CCCCC1 2207272614 OMGZIMSEZIPEAA-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE Cc1c(Br)cccc1CO[C@@H](CI)c1ccccc1Br 2283655657 UUKSBXJDIDIHKE-INIZCTEOSA-N 510.007 6.213 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 2293344005 HINICXPJIUGMRY-UHFFFAOYSA-N 631.154 6.397 50 10 KKGE O=S(=O)([C@@H](Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2295149777 QZUUXFALNYDVHN-ZIAGYGMSSA-N 587.209 8.352 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1cnn(C)c1I 2295264231 CJXDOZQRHYQVNM-LLVKDONJSA-N 534.417 5.242 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 2296647838 IYUOZQHZQDXHOP-UHFFFAOYSA-N 642.462 5.327 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 2297457038 TXLXVTMLPLQZLL-UHFFFAOYSA-N 529.445 7.305 50 10 KKGE C[C@@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2297462660 NSYXTAJIOOWVSE-AGMNEHEVSA-N 533.757 6.025 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313570903 IVKHWSATNVDHLD-UHFFFAOYSA-N 591.245 7.187 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571014 LKEQXXLPIFHODC-UHFFFAOYSA-N 581.091 7.643 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2313738834 RRLZVWZZGSRIHG-UHFFFAOYSA-N 511.405 6.203 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611088 QGKIGFYYEOGTJL-DHIUTWEWSA-N 597.741 5.351 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Br)c1 2314634094 LGNNJDZGKFXAPZ-XMMPIXPASA-N 507.771 5.939 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646716 KPYZURLXIDKBQI-MHZLTWQESA-N 653.160 5.898 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646918 UPTDRGDTWOHIPA-PMERELPUSA-N 646.769 5.881 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(Br)cc(Br)c2)C1 2315452301 ATSIEQIDZLCDIB-GOSISDBHSA-N 542.106 5.893 50 10 KKGE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1 2329702685 ITOSMBOOTAFLAU-UHFFFAOYSA-N 515.566 5.299 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(c4ccccc4C(=O)OC)C3)n2)cc1 2331255902 IPEDYBHSPNKPNT-FQEVSTJZSA-N 501.608 5.785 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331311011 DFLMHIZAXYGHHW-AREMUKBSSA-N 505.599 6.127 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c(OC)c1OC 2331412993 ZNLMVZUDVPTDDW-UHFFFAOYSA-N 502.592 6.641 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)c(OC)cc1Cl 2331471124 OVQQABYXVULZIM-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)sc(C(C)=CC#N)c1C 2331557679 ZHHAVQPLLKVBJE-UHFFFAOYSA-N 513.575 5.440 50 10 KKGE Clc1ccccc1[C@H](CBr)Cc1ccc(I)c(Br)c1 2349840885 GMCBCVPPVZPBPD-NSHDSACASA-N 514.426 6.428 50 10 KKGE FC1(F)CC2(C1)C[C@@]2(CBr)Cc1ccc(I)c(Br)c1 2349841986 VROZZADXLZBUTC-GFCCVEGCSA-N 505.966 5.797 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(Cl)c(Br)c2)c1Br 2362252090 QOCPSJZLCRERKK-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE CCn1cc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)nc1Br 2365185939 LSKNWUPUCWOFEL-JTQLQIEISA-N 533.859 6.122 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2365595239 HZVCBGXCCPXQIY-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(Cl)cc2Cl)cc1Br 2379736159 UXZNAIJMRRZQSA-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1scc(Br)c1Br 2380948315 ALBQBZPLLWSPNK-ZDUSSCGKSA-N 545.960 7.952 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)c1 1790136 LVVZQPWDVRCRGJ-GPSDDGMOSA-N 536.426 5.962 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1916282 SUFZQHNVZALYKI-ATZGPIRCSA-N 562.453 6.662 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2)cc1 6924852 LISALTATTZSBCI-ATVHPVEESA-N 511.412 5.387 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)Nc2ccccc2)cc1 16739814 MOOPGKBDIVHVIO-GPSDDGMOSA-N 518.436 5.823 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 29491581 MSGUUIKIFQGCNB-XHLNEMQHSA-N 606.686 6.462 50 10 KKGE O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)N2CCCC2)c1)[C@H](Cl)c1ccccc1 35728694 BJUMOFISUYRCJO-GDLZYMKVSA-N 516.085 6.300 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c(OC)c1 38657186 QLWJXURKUZQETO-JMQGSBJISA-N 514.578 5.418 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206211 HADAJRZVSYLAQY-UHFFFAOYSA-N 545.433 5.578 50 10 KKGE O=C(NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(NC(=O)c2ccccc2)cc1 100212168 BJWDQSVTHWJKLZ-UHFFFAOYSA-N 558.432 5.398 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232639 DOGJOXGHIPGYGS-CIAFOILYSA-N 550.409 6.498 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1 100237707 LNQFUYNEYUCSKD-PEHSQKLVSA-N 602.469 5.550 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(Br)c1 100288122 SHPHKKWKVCVFGK-GFCCVEGCSA-N 593.110 5.093 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246583 AQSAPBNDIMVUDM-LVVXZCGBSA-N 576.516 6.646 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101368380 PAIRFYZHKUNVKE-PMERELPUSA-N 577.077 6.593 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 101368857 SSGSUQMKYDFQMS-FVEAESEPSA-N 572.242 6.601 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(C(C)C)cc5)ccc43)cc2)cc1 101378895 GOQGYBHJUPORGV-WOPWWUTRSA-N 574.677 7.289 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379122 STTVNFFDTGDNBY-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5[N+](=O)[O-])ccc43)c2)cc1 101382129 VHCURAHKHRJFSD-GDLZYMKVSA-N 533.540 5.920 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385462 LYIFMJCBWSVXPI-NHOCJEJCSA-N 590.676 6.736 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101385818 OVJLXNYHIGCNCB-MGBGTMOVSA-N 589.047 7.518 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101386794 PWICENFGIJKFCE-JGCGQSQUSA-N 601.030 6.578 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388503 KUHRHVYTARUCAZ-SSEXGKCCSA-N 621.904 8.062 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1Cl 101392398 HFAMEPBROHQUOC-MHZLTWQESA-N 545.422 7.373 50 10 KKGE CCCCCCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1 102421998 AWJMNLOOUQZTAL-MNDPQUGUSA-N 510.457 7.286 50 10 KKGE O=C(Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 105626738 CIYNDIWAXUYOIM-RAWMCFOBSA-N 526.601 6.392 50 10 KKGE C/C(C[C@@H]1C[C@H](CC#N)C1(C)C)=N\NC(=O)CN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 136139590 KBXRZCKYAOFMGW-PKQQIBGBSA-N 573.698 5.415 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(OCCCCCCCCCC)cc3)cc2)cc1 150353496 WWNITJNWDVPZMC-UHFFFAOYSA-N 714.948 8.875 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 150422801 FIVSUKLQTMYRML-MHZLTWQESA-N 658.003 9.122 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 150443240 FPMCPFZOCUSVGQ-MGBGTMOVSA-N 639.079 8.257 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1cccc2ccccc12 163392487 JFTZHXWAOVRPOV-VWRJOHBLSA-N 647.391 6.946 50 10 KKGE C[Si]1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 195938543 OXVURNFPSRBLKA-UHFFFAOYSA-N 594.707 6.131 50 10 KKGE C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 199231550 DIMYHZDULFSWLS-QAMQVBGTSA-N 641.142 11.150 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205774883 ILSLPQYXJCCJFI-IMSDSWHCSA-N 610.695 5.609 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1C 206396912 WPWJFFIVIFJCRB-FBHYZKMCSA-N 588.660 6.433 50 10 KKGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 252630483 VAMUWZZSTKZXKF-UHFFFAOYSA-N 626.053 5.425 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1OC 254869433 IWAHTVOSUCAOKV-UQZDBAMNSA-N 558.638 5.628 50 10 KKGE ClCc1cc(Br)ccc1Oc1c(I)cc(Cl)cc1I 311515397 SGLHMMVKPKBYMS-UHFFFAOYSA-N 583.816 6.843 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@@H](Cl)C23CCCCC3)c(I)c1 394316007 ATZXWWULSDJPOI-OLZOCXBDSA-N 537.006 6.258 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586851 HODUUTHQNQITGS-YAGIXWEOSA-N 779.062 9.261 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2scc(Br)c2Br)cc1Cl 705462083 DPUWEYKZYHIIJR-JTQLQIEISA-N 509.872 7.073 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(F)c2I)cc1Br 721689891 BBHCYYUOFVKIAK-ZDUSSCGKSA-N 518.389 6.592 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccnc1 1083927742 LENLEMNWEAFUNP-UHFFFAOYSA-N 530.613 5.914 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1083984038 OOGNKTKPZOHZTO-UHFFFAOYSA-N 551.068 5.456 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 1084084639 DSNPWUPKANZSFL-UHFFFAOYSA-N 540.737 5.921 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084209134 KPEHDCBUIWNSOU-UHFFFAOYSA-N 583.541 5.785 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084225116 HYKGRXKFEPSHTD-JOCHJYFZSA-N 515.379 5.140 50 10 KKGE COc1ccc(C(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)cc1OC 1084397728 JRCQVNNSBHGHOQ-PHVLTXCSSA-N 502.014 6.338 50 10 KKGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN=Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084469534 XWFUEBWZNIXGKY-UHFFFAOYSA-N 588.442 6.575 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(I)cc1 1084507489 HQFLJIVFEKRKJM-UHFFFAOYSA-N 666.253 6.384 50 10 KKGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084550376 VMYLSOYCXYIPPR-UHFFFAOYSA-N 560.050 6.211 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720910 WYHJEIJFLLRMNK-UHFFFAOYSA-N 646.789 5.069 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752217 ZNKXORIYKGZUJV-UHFFFAOYSA-N 527.577 5.389 50 10 KKGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 1772755018 GYFIYEHLVCYAJR-UHFFFAOYSA-N 562.555 6.783 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2(C(=O)OCCCC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848433169 DZXDKGJUAGSHEI-RFBKQPLISA-N 739.243 12.071 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OCC 1865687490 SHXZSPLNHZEIGC-AREMUKBSSA-N 504.606 5.819 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865691874 CZOFJNOIZQZQIC-KRWDZBQOSA-N 543.384 5.870 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701454 VZWCXIRTIRNUFK-GOSISDBHSA-N 560.246 5.417 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703898 IFNMORMVIGJJAW-RUZDIDTESA-N 551.861 7.192 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865709669 ZLHVZSXEIPLXHO-DEOSSOPVSA-N 544.970 5.404 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711637 DGLHSFKMNHBTQB-WJOKGBTCSA-N 548.687 6.868 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C)c1-c1ccc(Br)cc1 1866127127 JXCVLZKWJGQJRP-CPNJWEJPSA-N 509.425 6.517 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866642773 JBOSOVRBWDYTTD-SANMLTNESA-N 528.609 5.579 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)nc(Cc3ccccc3)n2)cc1 1868207030 DGJRSYPBGNMUTB-UHFFFAOYSA-N 544.684 6.965 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 1872757848 YWVIWPMDVGDOMC-LMRHOSECSA-N 508.043 6.443 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCCc1ccccc1 1872781949 YJPIXDROVKEOGF-DEDYPNTBSA-N 507.442 7.811 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccccc1C 1872795162 QPKAAILGRUBFIT-LPYMAVHISA-N 517.050 7.822 50 10 KKGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068475 RZFILOSKWXFSCA-FSPLSTOPSA-N 501.487 5.187 50 10 KKGE C[C@H](SS[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 1923727958 RZUCNNXQRXPJTR-NSOVKSMOSA-N 568.808 7.603 50 10 KKGE CC1(C)c2cccc([C@H](N[S@@](=O)C(C)(C)C)c3cccc4ccccc34)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080744823 CYZPTSBGUJWVQC-WEWOUDSWSA-N 653.828 9.171 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 2141468571 LHSKWPQARKMHTO-QZOVBDONSA-N 580.778 7.609 50 10 KKGE CC1(C)[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141470129 FBHPDNWJSFTEFY-ZJUUUORDSA-N 546.269 7.308 50 10 KKGE CCCC1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141474964 HNZNBUZUVAXEBG-WZQIAMPNSA-N 582.794 7.999 50 10 KKGE Fc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1F 2142278602 FRUXHAWEGPWQLE-NSHDSACASA-N 501.934 6.011 50 10 KKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(Br)c1 2148750072 KJLJMGQWYFLRHP-CQSZACIVSA-N 527.876 6.857 50 10 KKGE O=S1(=O)CCc2cc([C@H](Br)c3sc(Br)cc3Br)ccc21 2170070233 KRVLIQJCEXTCCN-LBPRGKRZSA-N 501.059 5.087 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cccc(C)c2I)cc1Br 2202354082 VVJMUJZYLRHTKN-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 2202902806 VZGXZJAEVRKQKB-CQSZACIVSA-N 578.839 6.448 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(Br)ccc1Br 2202999758 RAMHNGVFAOYFMC-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397207 GOTWOTCLQWYBFQ-CMOFIFEBSA-N 572.338 5.307 50 10 KKGE C[C@H]1C[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206398827 ZJQYPKGXIRYNTO-FCGKXJCRSA-N 598.793 7.376 50 10 KKGE Cl[C@H](C[C@@H]1C[C@H]2CC[C@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2206404567 AYFHHSITIMXANA-PHGLEFOZSA-N 550.354 7.843 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206408396 JFMPJHNKXAJNPU-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2I)c(Cl)c(Cl)c1Cl 2207275371 LACDFMRAVPZOHH-JTQLQIEISA-N 589.707 8.152 50 10 KKGE COc1cc(Br)c([C@H](Br)c2sccc2I)cc1C 2220438261 NXEVBXRHKJQXFP-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE COc1ccc(Br)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](CBr)C(C)C 2227662370 NNRICVSYBGEYNH-QGZVFWFLSA-N 505.272 5.068 50 10 KKGE Cc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)ccc1I 2229150596 CRBRLXBMQXDSST-CYBMUJFWSA-N 514.426 6.694 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Cl 2231826508 SNNBOLCSIVUYEQ-JNKKYWAOSA-N 507.391 6.330 50 10 KKGE CCc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2232174022 SBJCPIDFZUUVGP-MRVPVSSYSA-N 511.892 6.313 50 10 KKGE Clc1c(Br)ccc(CBr)c1OCCOCCOCCOCc1ccccc1 2236083939 FNHBORFGZXWDLY-UHFFFAOYSA-N 522.661 5.626 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1I 2256338876 ZSEVHOKDQOPXCA-VIFPVBQESA-N 605.742 7.622 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)cc1I 2269541403 ICOOUZLNVLQEQP-CQSZACIVSA-N 546.943 5.528 50 10 KKGE COc1ccc(Br)c2c1nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2270572039 NUSBTZYUTQBOFU-HXUWFJFHSA-N 526.906 7.200 50 10 KKGE COc1cc(OC)c([C@H](Br)c2csc(Br)c2Br)cc1Cl 2279140872 CFMISEJPINQOCN-NSHDSACASA-N 505.453 6.428 50 10 KKGE Clc1ccc([C@@H](Br)c2csc3c(Br)cccc23)cc1I 2283584673 ZRXXFNGJFMMXKE-CQSZACIVSA-N 542.461 7.406 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(F)cc2C)cc1I 2285943495 KGLFITHONYGXHQ-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE COc1cc(OC)c([C@H](Cl)c2csc(Br)c2Br)cc1Br 2295427237 BQIYYDRUAHSQCM-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 2295669933 NKRJGZMJTZLWNJ-UHFFFAOYSA-N 545.064 6.769 50 10 KKGE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2296715331 OQSYOQRGVANCEV-UHFFFAOYSA-N 511.632 5.463 50 10 KKGE Cc1c(Br)c(C=C(C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 2313556643 GYCBSOQNPWESSK-UHFFFAOYSA-N 535.077 7.446 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1C#N 2313557156 VNXOVZDXEFXHLF-UHFFFAOYSA-N 516.601 5.622 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618394 MUDQJGSGPUJNDC-SANMLTNESA-N 552.700 6.203 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314620370 OISQSHAXJIYRHA-UHFFFAOYSA-N 616.674 5.290 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644614 UFFWJINJSQWGLF-UMSFTDKQSA-N 627.524 8.117 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314646746 LWYFHNWCFITPST-LJAQVGFWSA-N 660.752 5.338 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1 2314737154 PBVSIJTXMIFVGR-UHFFFAOYSA-N 574.633 6.125 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc1 2320488221 DYMJNZKSSHGWRV-UHFFFAOYSA-N 504.637 5.194 50 10 KKGE CCC(=CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329559887 DIAZSFWEVZJYKP-MHZLTWQESA-N 531.703 6.119 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2336088749 JMMSLXTYUQDAQO-SNVBAGLBSA-N 507.900 7.567 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nn(C)nc1Br 2339647843 FIKHSDGPEVUDNU-MRVPVSSYSA-N 520.820 5.034 50 10 KKGE Cc1c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)nn(C)c1Br 2362232908 TUVYGROWCQVJPC-SECBINFHSA-N 509.826 6.137 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2364115335 VVMFVAQVHRRJKZ-SNVBAGLBSA-N 515.947 7.163 50 10 KKGE Cc1ccccc1[C@@H](CI)OCc1cc(I)ccc1Cl 2380352949 FWRFLNZOECDKTD-MRXNPFEDSA-N 512.556 5.946 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NNC(=O)N1c2ccccc2Sc2ccccc21 13988940 YRQSZZZAYAQNDV-UHFFFAOYSA-N 504.793 5.525 50 10 KKGE CC/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(O)cc1 16577062 KSYVKQFIGSJYAB-ANYBSYGZSA-N 518.664 5.054 50 10 KKGE CC[C@@H](Cl)C(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 25160611 XJKWMXUTCOLPKY-NLFFAJNJSA-N 516.947 6.947 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 38650461 GMZAALZAKIDRAL-RUZDIDTESA-N 511.361 5.595 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651696 ZCEIZPFBNCKXAZ-QKFKETGDSA-N 509.331 5.179 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 38679282 IOWGIRIKTRQSJI-SOKVYYICSA-N 518.541 5.214 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 59464379 WHXCGPSNMFAWJZ-KBVAKVRCSA-N 518.400 6.589 50 10 KKGE O=C(N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Br)c1 59500334 FBMLYNCAZITBQQ-RPPGKUMJSA-N 508.250 5.932 50 10 KKGE Cl[C@H]1C[C@H](Oc2c(Br)cc(Br)cc2Br)C12CCCCCC2 97646535 OFEFWHWCLQQOTE-KBPBESRZSA-N 501.484 7.073 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 101034272 SXNXEYLDRZPKBT-NTUHNPAUSA-N 551.890 5.287 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(Br)cc3)nc12 101115353 DIHGPJRWARJOHJ-SSZFMOIBSA-N 535.785 5.757 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101244003 MDGHTAOWJJHQAL-RNMXVCEXSA-N 565.617 6.408 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101332265 QLRCVKGZNWRDID-WGOQTCKBSA-N 518.548 5.479 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101333380 HEUNEABXWFMPCN-ADIMLFFHSA-N 520.633 5.954 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101375412 YNEOYKUZTKVTDO-WJOKGBTCSA-N 577.077 6.900 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101376273 FTAPZFMVZYMVAV-MUUNZHRXSA-N 553.442 6.765 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1 101378023 DRHZUZRFFSCUDP-YTTGMZPUSA-N 540.660 6.855 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1Cl 101388373 CHJATFRBSPXFME-SSEXGKCCSA-N 598.011 6.663 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cccc(Cl)c6c5Cl)ccc43)cc2)cc1 101397398 WSFNUBZIXODURF-NDEPHWFRSA-N 613.522 8.533 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 101870044 JLMKRSZPONTSPN-DMFVVVJASA-N 544.604 5.708 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 102629606 BNHFWNDKTYWKAK-RQRZDDQQSA-N 532.036 7.609 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1OC 102779034 FTSINLAVDPIDCE-YHFVJUSRSA-N 575.146 5.547 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103796129 OQEFARNROJUZPM-XODNFHPESA-N 600.210 6.014 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 103887494 MKTKXSIXMIRLCV-NVMNQCDNSA-N 591.218 6.626 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 104767466 OFXGIODGPUZZFI-YQCHCMBFSA-N 561.711 6.867 50 10 KKGE CCCCCCCCCCCC(=O)NNC(=O)c1cccc(C(=O)NNC(=O)CCCCCCCCCCC)c1 105684653 IEUFQPNWEFNTPR-UHFFFAOYSA-N 558.808 7.050 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 109557067 ULAIECVQHLSVFR-CYVLTUHYSA-N 558.666 6.095 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 150430715 APHPORLBZMEGHS-ZYMKGWJUSA-N 667.338 6.004 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 150462505 RBQXPAYWQIZPLL-JGCGQSQUSA-N 663.529 8.336 50 10 KKGE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1c(C[C@H](Br)CBr)cc2c(C)cc(=O)oc2c1C 159448662 UZXYTNAFPQAFFR-YFBXQHAESA-N 657.421 5.718 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12 164622373 NUWXUNAOXBDFKW-UACWCTJZSA-N 654.608 9.440 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 164722542 NDCHDVYGPAFEPK-ZDLGFXPLSA-N 699.124 7.091 50 10 KKGE CC(C)N(CC[C@H](c1ccccc1)c1cc(CO[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C)C(C)C 196953730 KHTAIVJFQGLEFQ-SSEXGKCCSA-N 570.023 10.233 50 10 KKGE in-vitro CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205656528 DGUQDUSONLFMEM-YKZAVVLPSA-N 526.589 5.720 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C2=O)cc1OC 214370686 ULJQFTHVRYRQIL-PKAZHMFMSA-N 576.628 5.839 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2=O)cc1 214391486 GFASLQQAHRDQTK-QRQIAZFYSA-N 530.584 5.349 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@@H]1OC(=O)CCCCCCCC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 221101519 ZGOPKSBMLRPLLN-XTCFNUFPSA-N 855.298 15.406 50 10 KKGE CC(=NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)c1cccc(NC(=O)c2cccnc2)c1 252623786 OZECFUTWZOEEPP-UHFFFAOYSA-N 508.365 5.758 50 10 KKGE C[Si](C)(O[Si](C)(C)c1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(C(=O)OC2CCCCC2)cc1 253567960 KRWQFDNWRVVECH-UHFFFAOYSA-N 538.833 6.207 50 10 KKGE Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=O)CON=Cc1ccc(Cl)cc1Cl 254410674 JKLVNSXPANWZHM-UHFFFAOYSA-N 516.168 5.075 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2C(=O)Oc2ccc(C=NNC(=O)c3ccccc3)cc2)cc1)c1ccccc1 254595358 YXLPVVWGIXANMY-UHFFFAOYSA-N 610.626 5.653 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C)cc2)cc1 254895292 MIHAUBCQPGYTOO-UHFFFAOYSA-N 533.657 6.161 50 10 KKGE COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3C[N@+]1(c1ccccc1OCCBr)CC2 256434771 NPSIQLUTTDUDNB-XJFCNFDWSA-N 555.489 5.856 50 10 KKGE O=C1C2=C(c3ccc(Br)s3)N(CCCCCCBr)C(=O)C2=C(c2ccc(Br)s2)N1CCCCCCBr 514278560 SIWCJRHCWBXURZ-UHFFFAOYSA-N 784.272 9.052 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588252 LAVSLNMQPNHPSL-PFEQKNEDSA-N 697.001 9.876 50 10 KKGE CCOc1ccc([C@H](Br)c2cccc(F)c2I)cc1Br 721698613 RCLOECHTWWFCLT-AWEZNQCLSA-N 513.970 6.076 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl 725388290 SFBWJAMTOMHROR-UHFFFAOYSA-N 583.541 5.785 50 10 KKGE COc1ccc(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)cc1 1084042927 XMLWZTFWPVITFB-UHFFFAOYSA-N 579.122 5.140 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084259703 BNZNVSHNOCKKPM-RUZDIDTESA-N 712.661 7.592 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12 1084598659 ZQDGOOVZURVCSR-UHFFFAOYSA-N 539.429 7.420 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084628254 LFGTWUCHOBJSSG-FYJGNVAPSA-N 626.305 5.955 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2c(F)cccc2Cl)cc1 1772754896 KHQQZIGRTDDVFT-UHFFFAOYSA-N 546.476 7.077 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 1772755212 USCAJCGNESYMJF-UHFFFAOYSA-N 659.071 8.354 50 10 KKGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755297 ZVEJYRLWUISGCK-UHFFFAOYSA-N 534.501 6.003 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686103 RDOGWXKYGCMOKT-OAHLLOKOSA-N 520.125 6.723 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687151 KNDZNZQYMCDTBW-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCCc1ccccc1 1865688461 SHWYZOVUSPXRTP-LJAQVGFWSA-N 506.606 5.397 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865689531 BLTHDORJXZJTHS-SANMLTNESA-N 527.024 6.598 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865689919 GKRAPTJLRROROB-SANMLTNESA-N 511.025 6.980 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865690007 YWNAPCNQTUTVDL-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865694582 ZQDLPNLDZLVGLJ-SFHVURJKSA-N 504.896 5.229 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706133 OLIPFOBJGZMTGR-QFIPXVFZSA-N 544.365 5.437 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865714302 GTNVUNLDAAPGFE-JOCHJYFZSA-N 517.814 6.232 50 10 KKGE CC(C)(C)c1cc(Br)c(OCCCC(=O)Nc2nnc(CCl)s2)c(Br)c1 1865936723 ILPXVRQYEXYNDW-UHFFFAOYSA-N 525.694 5.897 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867003205 CBZOFKUMHIKWDP-VSGBNLITSA-N 531.653 6.047 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867067135 HKHDAANUSPBFSW-NDEPHWFRSA-N 570.740 6.236 50 10 KKGE N#C/C(=C(/O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758866 URYXSVFMSHBKEZ-PGMHBOJBSA-N 503.367 5.812 50 10 KKGE CC(C)(C)c1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924601311 WVHDBIFDDTVNDS-GFCCVEGCSA-N 501.509 7.661 50 10 KKGE FC(F)Oc1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924602391 WUMQGTRIMWZJJS-VIFPVBQESA-N 511.407 6.965 50 10 KKGE O=C(N[C@@H](CC1(CCCC[C@H]2CCSS2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952060124 OQOBAUOEYZVXGB-DFBJGRDBSA-N 511.709 6.863 50 10 KKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 2023216138 UUJJJLZNRJFSBC-GKROBHDKSA-N 511.899 6.429 50 10 KKGE CCCCCCCCNC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(I)cc2)c1C 2042446189 XQSDFZNJTZAHIZ-UHFFFAOYSA-N 503.428 6.082 50 10 KKGE O=C(N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[S@@](=O)c1ccc(Br)cc1)c1ccccc1P(c1ccccc1)c1ccccc1 2065309325 BNYDLNNLKMZEIR-QJQIYMBSSA-N 688.627 8.228 50 10 KKGE CCC[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494600 MSWMQNQMKXTTCK-FRSIUCEKSA-N 524.316 7.453 50 10 KKGE C[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085494967 OINXOOFDPZYYMX-RNHFCUEFSA-N 578.709 7.464 50 10 KKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2086139243 MFSKOJNYDYUDMK-CYBMUJFWSA-N 520.455 6.768 50 10 KKGE CO[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2133842189 FEGNQNAFPLGUQJ-ZXFLCMHBSA-N 537.937 6.677 50 10 KKGE FC1CCC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469195 SOKNKMBQGQJWAS-RBEJAIPDSA-N 542.306 7.545 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC[C@H]2CCCO2)c1Br 2141471038 NJXVZDONIHAACY-HTQZYQBOSA-N 584.766 7.132 50 10 KKGE C[C@]12C[C@]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141475537 ONTNMYNKAZJTAC-JHJVBQTASA-N 582.750 6.742 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2145954514 KXQVYPSNYDXPAA-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Cl)c(C)c(Br)c1 2202353293 QBSKLLKFUPQSAK-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE CC[C@]12CO[C@]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206398172 ROJAANDGDKLMLK-MELADBBJSA-N 552.326 6.976 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206405604 NCJMQXYCBYMSCX-GFCCVEGCSA-N 554.248 7.343 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1Cl 2224305153 PXJVJRNSZRWNNC-QMMMGPOBSA-N 593.187 8.480 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(F)c1F 2225928427 GNXXDRICZUGIPG-LLVKDONJSA-N 505.897 5.955 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1c(Cl)cccc1Cl 2233975990 MYSQBKXSZPCTAW-SECBINFHSA-N 505.834 7.336 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(C)nn2C)c(C)c1Br 2235613230 VVZLWWCOJKVFKY-ZDUSSCGKSA-N 529.896 6.117 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(C)c2Br)c(C)c1Br 2237632827 CUNBRPVQIHKRLZ-CQSZACIVSA-N 545.960 7.754 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252803264 TUFYVWOKAOPXKQ-MRXNPFEDSA-N 518.087 5.956 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278098950 BNAXHAUVQMOBMR-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE Fc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)c(Cl)cc1Br 2282898234 BTQHJYKVKUVKJV-ZDUSSCGKSA-N 503.456 7.427 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1c(F)cccc1I 2282905844 YOANAWQDMKOBIL-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)ccc1Br 2288496877 MTMSZDXTFQJYQL-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc2ccccc12 2294155933 JYDQJKQCTHWKQW-UHFFFAOYSA-N 643.308 8.275 50 10 KKGE CCOC(=O)O[C@@]1(C(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 2294815237 ZQAGWXUKPIARBB-GBERQVNOSA-N 503.850 5.593 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 2296506971 NQZHCRYNJXAXDK-QHCPKHFHSA-N 523.536 5.779 50 10 KKGE CC1(C)CC[C@@]2(C(=O)n3cnc(-c4cccnc4)c3)CC[C@@]3(C)[C@@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 2296553636 GXKRPLQWYWDFQN-JMHSPKHSSA-N 618.822 7.805 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCN1CCOCC1 2296706029 NLFTZGMSAFAFCM-UHFFFAOYSA-N 568.077 5.127 50 10 KKGE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 2297511185 INEFWBACSJPZHF-UHFFFAOYSA-N 540.000 6.674 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC 2297551390 HHNDURAXBSCVDN-UHFFFAOYSA-N 525.153 5.073 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299530687 ONCAOKZZNTZCRU-GOSISDBHSA-N 515.043 6.008 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(F)cc1 2313568383 VKKUJHADYJSGJQ-UHFFFAOYSA-N 505.977 5.322 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592375 SBEBDVZZBXRBOL-RUZDIDTESA-N 502.039 6.276 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593286 KUOGOAUYLQQELP-XMMPIXPASA-N 556.009 6.986 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 2314795980 KTDHUCRRXSRAQN-UHFFFAOYSA-N 591.886 5.258 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(I)c1 2317776048 ZORJKYSZOKZJFB-SECBINFHSA-N 605.742 7.622 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 2331030405 MTVWBEXMEBYRDW-UHFFFAOYSA-N 523.235 6.673 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c2ccccc2)cc1OC 2331240101 QQFOZZXHXSUZQE-UHFFFAOYSA-N 520.654 7.740 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c1 2331246798 YVVDYFLASJXVMU-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)cc1 2331273251 CPXDPCIHNJZEBF-UHFFFAOYSA-N 505.821 6.886 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1 2331430476 YPQWNHJYYBBCLC-UHFFFAOYSA-N 523.455 8.369 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2csc(I)c2)c1Br 2339639862 RJISMGZLNFSBRC-LBPRGKRZSA-N 536.454 6.523 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccoc2Br)c1Br 2339653819 NFYNZBUPDWDTAJ-SNVBAGLBSA-N 517.837 6.368 50 10 KKGE FC1(F)[C@H]2C[C@@](CBr)(Cc3ccc(I)c(Br)c3)C[C@H]21 2349838796 CZHKVYFBOSLODB-DDFAGTSDSA-N 505.966 5.653 50 10 KKGE Fc1ccc(C(F)F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2363672967 JAJZCALBDZROFG-MRVPVSSYSA-N 557.849 7.597 50 10 KKGE CC1CCC2(CC1)[C@@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364267278 IGRSAZBGNCWBFF-HUJAQRGZSA-N 514.039 6.165 50 10 KKGE Cc1ccc(C(O)(C(=O)NN(C(=O)c2csc3c2CCCC3)c2ccccc2)c2ccc(C)cc2)cc1 27472302 CIKMEIFGUJHFAZ-UHFFFAOYSA-N 510.659 5.858 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1Cl 35447433 BJQLYBAMGWBDGO-QNGOZBTKSA-N 500.986 6.188 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCCC(C)C 38660401 HHWGZAPIULSJIO-MHZLTWQESA-N 502.542 5.697 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38684299 QITJFSDGJLFYCN-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38701332 KLMDMHPQLJJQLO-MHZLTWQESA-N 518.997 6.355 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 58889827 NEPIYITXBAYXJS-WGJSBGIVSA-N 521.828 6.198 50 10 KKGE O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc2cc(Br)ccc2o1 59304013 PBHWZFFSDITCAQ-XODNFHPESA-N 506.787 6.616 50 10 KKGE COc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914834 SXZVJQBSBOBUCK-ZPZJFZDTSA-N 507.458 5.361 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c1 100212867 WKXKSRZOYNFJTJ-UHFFFAOYSA-N 584.536 5.217 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 100234180 VXLAVOXWBHVZGD-WGSIIBACSA-N 572.687 6.516 50 10 KKGE c1ccc2c(c1)S[C@H](c1nc3ccccc3s1)N2SSN1c2ccccc2S[C@@H]1c1nc2ccccc2s1 100618777 HRDIFRABTALIKP-VSGBNLITSA-N 602.882 10.039 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245245 ZCPPMFSJFSUVJZ-IDJUBOEBSA-N 562.489 6.221 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101307169 IWFKOIXZFOSURU-HHHXNRCGSA-N 563.404 5.225 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101336454 FYVHKTIOQAWKFN-BIZUNTBRSA-N 591.671 6.614 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 101339674 BNVJHZBJHCBZNJ-ZMOGYAJESA-N 562.557 5.208 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 101340016 UKBGFZFVTMBPDG-LPYMAVHISA-N 503.352 5.510 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCCC(C)C 101368507 JCLDNHILIKFTIE-MHZLTWQESA-N 529.549 5.466 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101374861 GTSBHRBTPWXJCB-NDEPHWFRSA-N 533.024 6.601 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 101374945 URROLYWVJGGHQE-OYLFJNDKSA-N 538.644 6.656 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101375016 VZLZQZBIBFSICT-MUUNZHRXSA-N 543.576 5.856 50 10 KKGE CN(C)c1ccc(/C=N\NC(=O)c2csc(-n3nc(-c4ccc5ccccc5c4)cc3C(F)(F)F)n2)cc1 101380508 YROBIUIIEUYNNB-BVMLUPFRSA-N 534.567 5.998 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383771 JIVNGNWGHWGKQM-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101385002 GONZUXSIPDWJKO-AUSOSSAASA-N 629.540 8.287 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387634 QXSJJGLRJPAHMD-JGCGQSQUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388325 LGKMIYBMRGBRIL-UUWRZZSWSA-N 611.094 7.083 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101390905 HAQPPBKZGMAEJY-IHLOFXLRSA-N 532.552 5.229 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc(OC)c1OC 101393506 NDBWVPAZPNTEGL-VWLOTQADSA-N 530.508 5.344 50 10 KKGE O=C(NNc1ncnc(N(Cc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101467411 ZHLVACRHWKPFRU-UHFFFAOYSA-N 544.615 5.867 50 10 KKGE CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 102620541 JVYMWEMOWIATHM-CAPFRKAQSA-N 519.095 7.688 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 103877565 PFMNTZNCIGJTNP-XODNFHPESA-N 617.250 6.608 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1C#N 103880913 XGHXLPPHRVYLNQ-AMVVHIIESA-N 597.263 6.571 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(Br)cc2Br)c1C 104777651 LOSGRLFGFWAICF-SXGWCWSVSA-N 523.225 5.129 50 10 KKGE O=C(/C=C\c1ccccc1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl 105626731 JEQQRZSUCLQMDO-DRUFSRMCSA-N 518.194 6.139 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)cc1 110554587 PSPFSORUUPSHST-AJBULDERSA-N 531.637 6.765 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)c(C)cc2Br)c1 132026028 DLLBVFGGSJPJPD-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE O=C(c1ccc(Br)s1)N(/N=C/c1cccs1)c1nc2ccc(Br)cc2s1 138987638 NKIVFXKNRZXOLO-AWQFTUOYSA-N 527.288 6.625 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1F 150443289 WAYIUGQGFBEAPJ-JGCGQSQUSA-N 669.503 8.058 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1 163807844 WPFJDLWYCJXYGR-IPBVOBEMSA-N 691.090 7.292 50 10 KKGE Cc1ccc2nc(-c3ccc4c(c3)C(=O)N(c3ccc(SSc5ccc(N6C(=O)c7ccc(-c8nc9ccc(C)cc9c(=O)o8)cc7C6=O)cc5)cc3)C4=O)oc(=O)c2c1 163976884 VZAAQKNZTILTSZ-UHFFFAOYSA-N 826.868 9.041 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164639767 NKTFFEDSQGQGPS-VTNSRFBWSA-N 686.344 6.526 50 10 KKGE C[C@H]([C@@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)P(C1CCCCC1)C1CCCCC1 201336328 BLYORWLXGDDPCI-VHOLSGDPSA-N 750.629 12.899 50 10 KKGE COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)c2ccccc12 206250641 FZKKASLEKRNRPH-KQWNVCNZSA-N 517.610 6.750 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(Br)nc3c(OCc4ccccc4)nc(N)nc32)C[C@H]1O[Si](C)(C)C(C)(C)C 206560360 CGFIUJHZJRBUOX-YPAWHYETSA-N 664.794 7.450 50 10 KKGE in-vitro CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 214243157 RIWVRTSDWYJAFN-ANYBSYGZSA-N 599.757 5.742 50 10 KKGE Cc1ccc2occ(C=NNC(=O)COc3ccc(Br)cc3-c3ccnn3-c3ccccc3)c(=O)c2c1 252620241 LZXPXPQEUVEBLR-UHFFFAOYSA-N 557.404 5.246 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1 254385395 KJIYYXOKYVVAQR-UHFFFAOYSA-N 555.656 5.375 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 254510183 YDTCXEZHGNLLME-UHFFFAOYSA-N 512.657 6.075 50 10 KKGE O=C(NN=C(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)o1 254816238 LFJOVXKKQMSJEG-UHFFFAOYSA-N 502.414 7.167 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)cc2Cl)C1 382704943 FAZYURBDVZUCAK-MFKMUULPSA-N 500.602 5.488 50 10 KKGE C[C@]12CC[C@H](OC(=O)c3cccnc3)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\NC(=O)c3cccnc3)CC[C@H]12 504217406 DKNFYEFBCLXZNI-VJTWLNPXSA-N 512.654 5.751 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)C=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 575231275 CBBPZOZLUNXNDK-DDUKWZECSA-N 573.023 10.021 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2/C(=C/[C@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 575232534 ZARWZJUOPFZIOB-BUNPJPPZSA-N 637.088 8.632 50 10 KKGE Cc1c(C)c(S(=O)(=O)N/C(=N/CCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)NNC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 607708046 NEAUAPOUIRNJTN-WJOKGBTCSA-N 763.914 5.761 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591094 WUUPISRMPWBNRI-OOFHNIPSSA-N 744.913 6.611 50 10 KKGE C[C@H]1CN(c2ncccc2Cl)CCN1C(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 1082548803 VTWMBBBDORPCKE-AOMKIAJQSA-N 571.452 5.866 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818418 QXQZQDMMTWVWDX-MQDBWYGVSA-N 654.920 8.706 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1083948712 IYBAWLWQIRQOSL-UHFFFAOYSA-N 639.086 5.190 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 1084076000 HAXALUOVBIGEGG-UHFFFAOYSA-N 633.048 5.740 50 10 KKGE COc1ccc(N([C@@H](C)C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)S(C)(=O)=O)cc1 1084240424 WXNJRJAKOXOUAZ-INIZCTEOSA-N 659.386 5.657 50 10 KKGE COc1cc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1 1084304022 NJFLSPHAZDOTOV-UHFFFAOYSA-N 502.634 6.213 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1 1084382425 KPCXFNHGZSXANK-MTJSOVHGSA-N 528.008 7.522 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1 1084390729 JBKINTDHAYTNBU-FYJGNVAPSA-N 556.287 7.918 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 1084599441 MBAKSSYJHDHTDX-QRVIBDJDSA-N 505.412 5.959 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccc(N(C)C)c(Br)c2)cc1)S(=O)(=O)c1ccccc1 1084609964 QQJWARYQKIADSC-UHFFFAOYSA-N 640.003 6.636 50 10 KKGE COc1ccc(-c2cc(=NNC(=O)CCNC(=O)OC(C)(C)C)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 1565518363 OYCUEJGAYAOBOR-UHFFFAOYSA-N 561.679 5.983 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772743974 NATYCRLVCZBFOU-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5Cl)c(C)c43)coc2c1 1772751922 HKFNNXILEZRWOR-UHFFFAOYSA-N 581.456 5.732 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865687121 JTWGIMIIZLDLOE-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865690411 QPFYSIWNAMEZKU-SSEXGKCCSA-N 526.640 7.480 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865692480 MJLVKJUOXWBCND-SFHVURJKSA-N 557.411 6.116 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865694512 YQRGHLRPBQOBPT-RUZDIDTESA-N 527.024 6.267 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703975 JUDDAAMGJLUOCQ-LJAQVGFWSA-N 533.031 7.038 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705105 MIQSVERRRRMBIS-QGZVFWFLSA-N 539.297 5.192 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714098 CKNMVBCLIIXFJN-JOCHJYFZSA-N 515.913 5.033 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714299 GSANCXWXVHVPMD-XMMPIXPASA-N 544.995 5.201 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131760 MEWADAXTLIXFEB-MHWRWJLKSA-N 526.368 5.808 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CC(C)(C)c5ccccc5[C@H]4C3)n2)cc1 1868320888 QJMYZJWXCHRFLZ-HHHXNRCGSA-N 546.700 6.450 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1868388276 HOQSWJMEDKKSRH-OAQYLSRUSA-N 510.461 6.086 50 10 KKGE Cc1nn(C)c(C)c1/C=N/NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 1873497583 XJYGAENQXPWJPZ-IBDNVKHUSA-N 503.647 5.454 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1c(Br)cccc1Br 1905342767 KXJNANPPEDXWSK-NSHDSACASA-N 516.027 5.204 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915079052 XTGMQRMLUGOSBQ-CYBMUJFWSA-N 530.109 6.120 50 10 KKGE Clc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924570165 FZBFCUPUEZPYGW-SCSAIBSYSA-N 564.771 7.888 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 2013203661 ZROAKUHOVMPRDY-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)ccc2F)c(C)c1Br 2050463807 KUDYBPPBMMFQIU-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138853970 RLPQGAUAOLFKEE-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE O=C(NC[C@H]1CCCC[C@H](Br)C1)c1cc(Br)ccc1I 2163744925 CEWJVTKWVDLDBP-QWRGUYRKSA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c([C@@H](Br)Cc2ccccc2I)c(F)c1Cl 2201611992 VWYXBELOOMFDOQ-QMMMGPOBSA-N 536.379 6.664 50 10 KKGE Fc1ccc(CO[C@H](CI)c2cccc(Br)c2)c(Br)c1 2206271146 YSHLBWPTWHWWHZ-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206394735 IXQCHADVWILYLJ-CEFVDNRUSA-N 552.370 8.233 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2206396587 YPLXCIJALQHVIO-WEKTVSAVSA-N 552.326 6.974 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2I)c1C 2218794260 OFOSEZXNDWZWRW-NSHDSACASA-N 564.906 6.979 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 2224056513 YGDMYVPKAVQFCZ-SNVBAGLBSA-N 585.324 7.277 50 10 KKGE C[C@H](COCc1ccccc1)Cn1c(CCCl)nc2cc(Br)c(Br)cc21 2225695227 DQGHAWKJGGLIPN-AWEZNQCLSA-N 500.662 6.196 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1Cl 2232514651 WEOLKHWQYUDIND-SECBINFHSA-N 502.248 6.887 50 10 KKGE CN(Cc1ccccc1)C(C)(C)Cn1c(CCCl)nc2cc(Br)c(Br)cc21 2234065587 KNGKOVLDVUVRDI-UHFFFAOYSA-N 513.705 6.253 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1scc(Br)c1Br 2263514110 WVRVLUOGVRTVBD-JTQLQIEISA-N 538.324 7.321 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)cc(Br)c1 2288343782 BRQZHXIVFSWUOZ-NSHDSACASA-N 554.248 7.390 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Cl)cccc1Cl 2288495057 OUVAVDWOWHSXCO-NSHDSACASA-N 509.797 7.281 50 10 KKGE CCC=CCC=CCC=CCCCCCCCC(=O)O[C@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818780 ZWPIZTGCEXKIMJ-BHVANESWSA-N 560.863 10.828 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@@H](C)C2 2296500299 BYMQSYQYLZIXNE-CQSZACIVSA-N 529.445 7.162 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(Br)c1OC 2297708896 AXJYVIKDHCWSKC-UHFFFAOYSA-N 585.886 5.107 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccccc2)CC1 2313567112 GNWZHQNMZUHFCS-UHFFFAOYSA-N 546.421 5.013 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)sc2c1CC[C@H](CC)C2 2314571496 FZCGZRXTRFZTIG-INIZCTEOSA-N 509.027 6.899 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314610678 KZQNQPAOFAOOOL-UHFFFAOYSA-N 574.656 7.040 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 2314616641 GFUHKZLDBGZBCZ-UHFFFAOYSA-N 556.666 6.553 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ccncc2Br)c(I)c1 2317762543 NAWVWNHXLQDCOW-NSHDSACASA-N 501.387 5.781 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 2321697699 ILRVKXBTMRJZHW-UHFFFAOYSA-N 520.029 5.511 50 10 KKGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1 2328799992 QXVOPVYUZSIQKP-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 2331242786 KRJQSLHSQOPGKQ-WNSKOXEYSA-N 503.580 5.331 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1OC 2331323578 HEIJDCYIVIPUNT-LJQANCHMSA-N 519.623 5.028 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)c2ccccc12 2331408318 WSLCMPGQUCVTPN-UHFFFAOYSA-N 503.967 5.844 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3cccc(OC)c3OCc3cccc(C)c3)n2)cc1C(C)C 2331464142 CMDQELYSTXTOMM-UHFFFAOYSA-N 524.686 8.211 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)c(Br)s1 2335361866 UTJKYEOCYYNNFE-SECBINFHSA-N 532.281 7.810 50 10 KKGE C[C@H]1CCC[C@](CI)(OCc2cc(I)ccc2Br)C1 2341855576 CIEBTYDBBRJMMH-NHYWBVRUSA-N 549.028 5.954 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Cl)ccc1Br 2360494627 WILFOIVXGVNHFB-NSHDSACASA-N 526.252 7.795 50 10 KKGE C[C@]1([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C[C@@H]1C(F)(F)F 2362228533 OBSILMXJKGGJMI-FZYJTZEISA-N 503.353 7.029 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)Cc2cccc(Br)c2)c1Br 2362229052 HVEULFMOMBLKTK-SECBINFHSA-N 550.285 7.445 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2365234037 WQZQOFHCTHUHFI-HXUWFJFHSA-N 555.104 7.592 50 10 KKGE Clc1ccc(C[C@@H](CBr)Cc2ccccc2Br)c(I)c1 2366713972 DQWCVCVYVXDVAA-NSHDSACASA-N 528.453 6.503 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2ccc(I)c(Br)c2)c1 2366887282 LOGACCFEMTYJQT-ZDUSSCGKSA-N 548.871 7.429 50 10 KKGE BrCC(CBr)(Cc1ncc(I)cn1)C1CCCCCC1 2381294189 BQOWWYZIMYZNQS-UHFFFAOYSA-N 516.059 5.370 50 10 KKGE CC(C)(C)Oc1ccc([C@H](Br)c2cscc2OCc2ccccc2)cc1Br 2381319275 JOAYDWBJGAAMDO-NRFANRHFSA-N 510.291 7.751 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779842 CDWUVHUCUVMGCQ-UHFFFAOYSA-N 504.208 5.021 50 10 KKGE CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1 33385827 MFTBUCDRRHXCFT-JCMHNJIXSA-N 528.443 6.433 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38688749 WHCBMHGFVZJLOC-VWLOTQADSA-N 500.482 5.335 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1Cl 38700701 VGOVOGGSCMSCDY-JOCHJYFZSA-N 513.402 6.161 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)c1 40530057 OKEKSZZXAJZGRH-SSEXGKCCSA-N 504.586 6.846 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)cc2Br)cc1 50552159 KLWJQYTXUZLGMG-GRSHGNNSSA-N 537.255 7.348 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 59165264 YRQBEPDUAMGCST-VBMGMRCRSA-N 503.602 5.459 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100163990 ARXLPWPIQHIMTK-UHFFFAOYSA-N 575.529 5.096 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 100186714 CZPDLPBTWMXSON-UHFFFAOYSA-N 587.334 5.129 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 100452903 INFRFKLDWOKPFO-OADPBGPJSA-N 536.253 6.299 50 10 KKGE N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]1c1ccc(-c2ccccc2Cl)o1 100879047 SXQSZXDOGTXURA-HKBOAZHASA-N 540.826 5.445 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242466 WQYMNKNMTVMENX-YMGIJWJESA-N 507.999 5.074 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244535 XFNOOGYEVGAKFC-IEQIIXMPSA-N 535.591 6.894 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244638 QFODJJXFANNWEH-YMGIJWJESA-N 534.435 5.523 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245461 XNQHOIYDAOKDOX-IEQIIXMPSA-N 546.490 6.385 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101314564 YDVKWIUWBMWLRC-VWLOTQADSA-N 537.399 6.394 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101340781 XXULMHAHSDZHRX-OGLMXYFKSA-N 563.057 6.772 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101367615 UHOFSXJJFSXONC-AREMUKBSSA-N 549.421 6.074 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101390868 DSMIPGTVDZSJMA-MHZLTWQESA-N 573.443 7.120 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101395412 ILFTZTUQYRONLI-PMERELPUSA-N 587.072 7.718 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(/C#N)c3nn(-c4ccccc4)c(N)c3C#N)cc2Br)cc1 102779139 WHXVFHJEKYUCRU-JAIQZWGSSA-N 589.291 6.803 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC(=O)c1ccc(OC)cc1 102923352 LVFBUGCQWVRZEP-PDGQHHTCSA-N 539.357 5.760 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1F 103877374 CXEJKGGVFPTUPB-FNTLCPBMSA-N 573.668 7.672 50 10 KKGE Cc1ccc(S(=O)(=O)/C=C(\NC(=O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 105441141 RZQXGPWGGBIMPX-MHTZHOPKSA-O 562.651 5.992 50 10 KKGE CCCCCCCCCCCC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 108583724 BOHVWSNXBBEAAJ-TWKHWXDSSA-N 513.103 8.145 50 10 KKGE Brc1cc([C@@H](Br)c2csc(I)c2)sc1Br 128216797 KUGZCHPEGBBLJJ-QMMMGPOBSA-N 542.881 6.424 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@@H]2Br 150401855 DLAKNMUSOIERII-XMPVCGRCSA-N 656.503 8.334 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)([C@@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C)([C@@H]1Br)C2(C)C 150480923 IVEDHRPRGPGAKM-XLKBRPOTSA-N 670.530 9.027 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c1 159835000 AOHILGXVWNUSHY-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE CCCCCCCCc1ccc(C(=O)[C@@H](SCCCCCCC[Si](OCC)(OCC)OCC)c2ccccc2)cc1 205183641 YOVAXSDAMPZZNF-DHUJRADRSA-N 600.982 10.246 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214219750 AXFOTVAKBHANFW-HWIUFGAZSA-N 578.672 7.274 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 214227942 CPOKWJWBZZLEKX-UXOBJBFUSA-N 597.741 5.352 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214321790 CVKTVDLQHKSHDV-DNMSLHDBSA-N 550.659 5.735 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)cc1Br 235821654 KYWUTCPUNCZNOJ-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 253530295 YAHXNVGUCZQYAB-PFSPQGEVSA-N 535.651 9.113 50 10 KKGE biogenic CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254754180 DEKHXVPIYZPGSR-VLSGMUSGSA-N 506.606 5.226 50 10 KKGE COc1cccc(C(=O)Oc2ccc(C=NNC(=O)COc3c(Br)cc(Br)cc3Br)cc2OC)c1 254839405 JRUJSGIJJZUVBG-UHFFFAOYSA-N 671.136 5.740 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256020070 VKPFROXLVNAKFO-IMAIMIIYSA-N 861.972 7.371 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cccc(Br)c2)CC1 303742226 XPGLPXFJCYYGSQ-UHFFFAOYSA-N 510.210 5.170 50 10 KKGE Fc1cc(CBr)ccc1Oc1c(I)cc(Cl)cc1I 311480273 KWUULPOSVFZAGA-UHFFFAOYSA-N 567.361 6.376 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)ccc2Br)c1Br 383614516 YYDFEIZQILHXEZ-SECBINFHSA-N 557.849 7.539 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616590356 QXQZQDMMTWVWDX-OXPNQDLOSA-N 654.920 8.706 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CCc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616592284 DUEUHUYEMSKFRT-LJAQVGFWSA-N 525.926 8.767 50 10 KKGE Brc1cc([C@H](Br)c2ccc3c(c2)OCCO3)ccc1I 721572675 MPRMYBJFACCDLM-HNNXBMFYSA-N 509.963 5.309 50 10 KKGE COCO[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3OCOC)C(C)C 725239010 IWNJMTRACSXNRV-CGAGZTIBSA-N 747.190 10.251 50 10 KKGE O=C(NC[C@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725239181 ZSXXSDMUMKOBKA-CJFMBICVSA-N 594.055 5.855 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc(OC)c1OC 725395966 VHDQTCOGOOKKJI-UHFFFAOYSA-N 608.116 5.834 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1 725403691 JQFVCXZSJJQCGO-UHFFFAOYSA-N 615.608 6.777 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)C(O)(O)[C@@H](Cl)CC(=O)CCCCCCC/C=C\CCCCCCCC 888085228 RIYQBPRTMOUGGW-JOBMVARSSA-N 637.430 11.654 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)C=O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069104 CBBPZOZLUNXNDK-PEDKRAEKSA-N 573.023 10.021 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084035688 XXJKJJIVYYROBD-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084117734 GMQLGSUHOWZKDO-AREMUKBSSA-N 536.028 5.552 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1 1084129839 CEWACPVFBBPLIO-UHFFFAOYSA-N 612.955 8.520 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084329172 PERXLYBSOGUYRR-UHFFFAOYSA-N 633.985 6.799 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc2ccccc2c1 1084402849 XHAWJBXTKDSHBL-JVWAILMASA-N 550.058 7.218 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084477904 KCXUHMWFJWDBDM-UHFFFAOYSA-N 546.259 5.772 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1 1084594223 NGSKKCFTEJHQDZ-UHFFFAOYSA-N 577.862 7.744 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1084652666 WAAXKCLVMPDOEB-VWLOTQADSA-N 589.914 6.443 50 10 KKGE C=CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718902 VNGHOOJOEUQFGG-YNKQKOAKSA-N 522.841 5.772 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3ccccc3nc12 1772721813 BTSWPNDUQCNJHX-FYWRRETASA-N 510.476 6.079 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743992 OZHJPQCDOTUEGI-UHFFFAOYSA-N 518.367 5.588 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1772755322 AZOAUXJZJMSGDT-NRFANRHFSA-N 559.460 6.621 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 1772760439 MTOGJHUUZQVLHT-UHFFFAOYSA-N 552.508 7.578 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684112 TXXILTDNCZPTDQ-JOCHJYFZSA-N 517.358 5.668 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695532 PKSGFMFSLQJENU-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701262 QQFHUNMUCJEJQM-RUZDIDTESA-N 532.431 6.324 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701496 WXENGAHLZXTUKZ-PMERELPUSA-N 559.069 7.357 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702894 HUPCTBJQLPWDCF-MUUNZHRXSA-N 506.606 5.939 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705191 OICTZCXZOTVSLL-QFIPXVFZSA-N 532.478 5.337 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OCc2cccc(C)c2)cc1 1865705768 FJVHNTVZADYFOJ-DEOSSOPVSA-N 562.548 6.014 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Br)cc1 1865714379 IRMKQMJSIHYIND-MRXNPFEDSA-N 527.703 5.723 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868300278 ANLRKJXIDMEADD-MHZLTWQESA-N 522.653 6.327 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(C(C)(C)C)n3)CC2)c1 1868342048 IRTDNQFRPBZQBD-UHFFFAOYSA-N 502.688 5.464 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CC2)cc1C 1868365104 KQTWCNNHULFTMI-UHFFFAOYSA-N 535.673 6.877 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)nc(-c3ccccc3)n2)cc1 1868365542 RXTXFXLJBVTSSJ-UHFFFAOYSA-N 541.702 6.151 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OCC 1872727437 AWUGAOXOKSUNSY-CJLVFECKSA-N 519.642 6.945 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872755508 QZUMLGRSERKHHU-PDQXICHASA-N 503.580 5.331 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901582400 OEWMMFIKHHBHSJ-ZDUSSCGKSA-N 506.609 5.761 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 1924591344 QALNJMFPAKAIFS-XSPKLOCKSA-N 521.938 7.298 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCC[C@H]2OCC3)c1Br 1924611986 HYSMOVQVKPDIMJ-ZIGWGHGNSA-N 523.910 6.431 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)Cc1ccccc1I 1925547864 HZRCGUYBNBPPSK-ZETCQYMHSA-N 540.873 7.101 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCn3nccc3C2)c1Br 2108966070 PFNLABYKEAYRBT-MUWHJKNJSA-N 533.909 5.931 50 10 KKGE COCc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2134736471 NWFRVTVIJCOMGE-SNVBAGLBSA-N 533.905 6.666 50 10 KKGE Brc1cccc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 2150494679 SCZUFYFNVUCXRC-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@H]1[C@@H]1CCN(Cc2ccccc2)C1 2154363663 QTIWWRBBXLXIRO-QUCCMNQESA-N 512.717 6.488 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 2203000450 JUVFGXJWUBICGQ-ZDUSSCGKSA-N 595.294 6.963 50 10 KKGE C[C@H]1O[C@@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206401280 IJLVWEIHANOZNU-JRXORCGPSA-N 596.777 7.130 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(I)cc2)s1 2224781056 CWEKRZVHFMROQE-CYBMUJFWSA-N 516.036 6.136 50 10 KKGE FC(F)(F)[C@@H]1CC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2232583140 YMHGJEFRWZXVTF-OJFKHTATSA-N 608.710 7.761 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 2272726179 KSAOTMWMTOKYGT-IBGZPJMESA-N 502.580 7.397 50 10 KKGE Cn1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)nc1Br 2272726405 NSOWWCMUKZCIKG-QMMMGPOBSA-N 523.795 5.470 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)c(Br)cc2F)c1Br 2282136067 NHJOYIQPYWDTMO-CQSZACIVSA-N 533.830 7.045 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1c(F)cccc1I 2282787258 OMZQPRWUGQJXIK-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1cccc(Cl)c1 2293500084 WCTQCLKWGYSUPF-UHFFFAOYSA-N 539.857 7.243 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Br)cccc1Br 2295359393 GHAHKQVZLYUEAJ-ZDUSSCGKSA-N 548.294 7.120 50 10 KKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)sc2Br)cc1Br 2295425056 BTARFGCFJLVCEY-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE CC(=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1 2297672395 GTEXASFKPWBCFJ-UHFFFAOYSA-N 622.275 6.403 50 10 KKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 2313631791 VUINYIFZECYJTQ-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 2313730414 STJXSTALLLVYMO-UHFFFAOYSA-N 500.904 6.882 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1 2314489562 RMQCCCOSLZTYHQ-UHFFFAOYSA-N 529.902 5.931 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314617462 YTSJQHSUCCQOQF-UHFFFAOYSA-N 590.683 7.219 50 10 KKGE CCOC(=O)C1=C(NC(=O)C(C#N)=Cc2ccc(OC)cc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 2314716885 YCCFGOJZIPVYHC-MUUNZHRXSA-N 530.580 5.871 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C(=O)OCCOc2ccccc2)c1C 2329632739 JXODZSSELFWOFI-UHFFFAOYSA-N 518.591 5.323 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)OC2CCCCC2)c1C 2329699416 SKQNRRROVOXJCY-UHFFFAOYSA-N 545.455 6.031 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 2331311709 PXLIETYLUIDBGH-CQSZACIVSA-N 514.390 5.749 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 2331313299 AYSFPYXLJDHVCD-UHFFFAOYSA-N 508.397 5.750 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c([N+](=O)[O-])cc1OC 2331364201 RBKLFIFDXAXTKW-UHFFFAOYSA-N 508.339 6.001 50 10 KKGE CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2333109900 WPYBDOJHQDQXDD-NMZQMYTBSA-N 556.992 10.171 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Cl)cc2I)c1Br 2340064659 HDVXQEABBODNEP-CQSZACIVSA-N 579.295 7.262 50 10 KKGE Cc1cccc([C@@H](CI)OCc2c(Br)cccc2Br)c1 2366144919 KZRWRMXTXUNUAO-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE C[C@](CI)(OCc1ccc(I)c(Br)c1)c1ccccc1 2377622060 NFXZDPSEXBQTAC-MRXNPFEDSA-N 557.007 5.921 50 10 KKGE COc1ccc(/C=N/NC(=O)C(NC(=O)c2ccccc2)=C(C)C)cc1COc1cc(C)c(Cl)c(C)c1 3584921 CUAREZBPLKCQQL-WCMJOSRZSA-N 520.029 5.718 50 10 KKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)N/N=C/c4ccc(C(C)(C)C)cc4)[nH]c(=O)c23)cc1 9043029 KJIFUVGOJKMFRI-IPPBACCNSA-N 518.708 6.315 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 38606837 ZJTDBOWLDFJMAT-JVWAILMASA-N 518.573 5.632 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651551 GPFRLJNSMJSDOX-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684654 UYHORFTUAOVZLK-SANMLTNESA-N 523.416 6.856 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1 38685430 BKCXOHUQZYXSLS-PMERELPUSA-N 526.633 6.872 50 10 KKGE CCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 40823215 IWBKHLJREOSSDG-XAZZYMPDSA-N 507.406 5.392 50 10 KKGE CCOc1ccc2ccccc2c1/C=N/NC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 40959248 GLRJAHNBGOIMLU-RDRPBHBLSA-N 511.460 6.608 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 58889986 HYKGRXKFEPSHTD-WHXCVRPHSA-N 515.379 5.140 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 58889996 VHRGXJGVGIUOCW-WHXCVRPHSA-N 515.379 5.140 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OC 59680246 MZWVOSLJHJAWNJ-UZWMFBFFSA-N 507.590 5.497 50 10 KKGE c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccc3c(c2)OCCOCCOCCOCCO3)cc1 95704756 DKMDACWKBJWXOO-UHFFFAOYSA-N 543.620 5.002 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1 100237659 OOCMGXDGNSRXOA-LCVHJTKWSA-N 622.887 5.895 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065512 CNZVOZKCTWVCRP-QFMPWRQOSA-N 557.448 6.304 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193639 MBRBIIPVGJSINC-VZUCSPMQSA-N 529.780 7.091 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242518 MHPILYCZCCMBNE-YMGIJWJESA-N 542.444 5.728 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245217 YOTOKUMOWJQZNW-DBTLDAOKSA-N 552.483 6.766 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101246565 NAPGMIHRDDRZBL-TUJXDINHSA-N 566.510 7.190 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101303413 YVTYXOKHUXWLOD-OGLMXYFKSA-N 570.605 5.625 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101335992 CWJYWAZOGGPARN-TWKHWXDSSA-N 607.110 6.791 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101372396 MDKQFBPJOSKQHB-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OC 101375378 DVEZHIOZFWHBNK-CDFXGTJGSA-N 568.670 6.890 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)ccc1Cl 101381742 OYTXQNSTHAVJEH-HKBQPEDESA-N 553.014 6.430 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 101382353 NNNKQLCVCHMDIO-JGCGQSQUSA-N 546.623 6.800 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)ccc1Cl 101383365 AZYRMFSZELGQDN-HKBQPEDESA-N 587.459 7.083 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384815 FYYPGJMYQAVJIL-YVGXBJCXSA-N 605.449 7.303 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385476 XEEFSFBEXCSPIN-JGCGQSQUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388365 WJUWCJXEJVSVSL-YTTGMZPUSA-N 567.041 6.684 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101393248 OTZIMAUQLRMRQT-LJAQVGFWSA-N 556.590 6.895 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc(OC)c1OC 101393501 YZLUZYNRBWRCKN-AREMUKBSSA-N 560.990 6.166 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1Cl 101394473 WPXOBPIMWQMSLG-HSZRJFAPSA-N 561.824 7.402 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)oc2c1 101398424 KKQQDVWXZBSYAS-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 101405958 ICEQTTPWBZPAHA-QLTNSANVSA-N 583.449 5.179 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101647184 JPMBVXOKYCLYAP-IADYIPOJSA-N 567.654 5.855 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2Cl)cc1 102347323 XTHSHFCLQSVRQH-HKWRFOASSA-N 543.000 6.620 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2ccccc2o1 103797204 LHVBFAMSELXOCT-KKMKTNMSSA-N 609.645 6.796 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2ccccc2c1 103887965 XLBBCDJTDUZPGV-OYKKKHCWSA-N 527.418 7.044 50 10 KKGE N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 103888817 ZHOLCOBXOMJBLP-SXGWCWSVSA-N 581.091 7.643 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 105403306 QBOSXLNOCNGYRK-LHLOQNFPSA-N 558.613 7.202 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483804 AOYRHJAHRGGFQP-HKBQPEDESA-N 637.903 7.437 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(Br)c1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150575926 DQCODUGPETZHAL-ROPCREHHSA-N 663.193 8.440 50 10 KKGE Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)C/C(=N\NC(=O)c1ccccc1O)C(=O)Nc1cccc(Cl)c1C 150612240 JUDQDBDNRBLEAA-FADJLKOXSA-N 630.941 7.167 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 150635767 RBGBDKCEOWQSFS-ODZASTSJSA-N 642.500 6.102 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c1 159834872 AOHILGXVWNUSHY-JTQLQIEISA-N 513.398 7.383 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 164641292 HINXUWKPNUUWNU-RQRWGXNHSA-N 759.269 9.470 50 10 KKGE Br[C@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@@H]1Br 169643017 DEIGXXQKDWULML-IQMQYZSSSA-N 641.700 6.922 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OCCC 198739770 XITXUDSMKVWIDN-ZTKZIYFRSA-N 524.544 6.505 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1 205647805 BHCWRRVMXAERPR-RKFDIGNSSA-N 500.598 6.974 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 205671324 BHTFTLQHHPVKNR-FLTLIFPASA-N 562.597 6.640 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1OC 206523021 ICEFWQVOGSBZNG-ONUIUJJFSA-N 580.637 6.203 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@@H](CC)C2 209399832 UCXXKJADKAKTAL-OLCHLOJWSA-N 533.606 6.462 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 214297768 MXMOQCQUHLJWTA-ITYLOYPMSA-N 526.662 5.670 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 214306089 DIOBABSVBHDQDJ-IMRQLAEWSA-N 540.689 6.059 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 235812390 DSWRMMNANQXRJF-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 236067777 BRBDXRXZKNDPLH-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE CC(=NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1)c1ccccc1 254296448 FZKXTOHDNUKBNT-UHFFFAOYSA-N 505.525 6.322 50 10 KKGE COc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 254477869 XHHSRRSHNMYBNV-UHFFFAOYSA-N 622.722 6.023 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CI)CC[C@]4(C)[C@@H]3CC[C@]12C 254504549 UZTFVVKXFMOMLY-VYONAZKWSA-N 556.613 8.455 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc4ccccc34)nnc2-c2ccc(C)cc2)cc1 254509604 KMQQYVMPOGLWHM-UHFFFAOYSA-N 521.646 6.037 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CNC(=O)c2cccc3ccccc23)cc1 254555390 NDIMAVQMHYOWLZ-UHFFFAOYSA-N 531.616 5.361 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1c[nH]c2ccccc12 254763270 XMYOKBXILSWDCU-UHFFFAOYSA-N 513.648 5.050 50 10 KKGE CC1(C)[C@]2(C(=O)OCCOC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256019980 PRVBWRYHGHBBBN-RFOSFQMKSA-N 835.886 7.444 50 10 KKGE CCCCCCC(C)(C)c1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@H]1CC(CO)=CC[C@@H]1C(C)(C)O2 256335440 YTJAMVHPSLRTJH-DQEYMECFSA-N 500.840 8.902 50 10 KKGE O=C(CC(=O)N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 261493035 YRFWDICLFHYCEK-UKOCQAPCSA-N 775.237 6.947 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@@H](c2ccc(Br)s2)C1 382733953 VYSCJBYEEGVLML-KBPBESRZSA-N 506.203 5.298 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725420720 WHTTVDNIRZIWAB-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4ccc(F)cc4)c3C)sc3c2CCCC3)cc1 1084027886 RLIOWHORTAROPB-JJIBRWJFSA-N 509.650 7.798 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccc(O)cc1 1084070806 NEFHMIPDROKPQI-UHFFFAOYSA-N 500.963 6.397 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1c[nH]c2ccccc12 1084134889 URALKDJNYPAWBS-UHFFFAOYSA-N 501.178 5.375 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1 1084146956 DXQWVSASKFKTHC-CXUHLZMHSA-N 658.117 7.494 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084201971 RQSIIERGCRMZDI-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084220835 IKLUSGHPZNDRNA-CXUHLZMHSA-N 594.192 6.631 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084270874 PMJZMTHZCZGCFQ-QFIPXVFZSA-N 685.256 5.347 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084288010 GYIBMBVQJPPVBO-PFGOARBGSA-N 541.717 6.692 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1084289417 OEFRIGRAYSPZEL-UHFFFAOYSA-N 687.012 6.353 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1 1084292285 QOFNWFWHDHKTBU-RUZDIDTESA-N 651.339 6.304 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1Br 1084362637 IOHHKYIEUNVRBX-UHFFFAOYSA-N 515.205 6.129 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1 1084526504 PCDKVSUUAAAMGU-UHFFFAOYSA-N 521.573 5.629 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)ccc1O 1084541807 KIKKWIWIRXMECM-UHFFFAOYSA-N 638.540 5.640 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(I)cc1 1084589262 TXIFRPLWIXAYLR-UHFFFAOYSA-N 720.405 8.171 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653288 NLNKBJGXFOIJJU-ZYSFHCQCSA-N 552.483 6.306 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773608 DIMYHZDULFSWLS-WNHWXHQRSA-N 641.142 11.150 50 10 KKGE C/C(=N\NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(COC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 1616047034 DOFVJZHTZMCBGX-KYHMTBIPSA-N 558.384 6.765 50 10 KKGE O=C=Nc1cccc(NC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)Nc4cccc(N=C=O)c4)cc3)cc2)c1 1848440688 XUSKDEHEWIXVMW-UHFFFAOYSA-N 568.571 5.742 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1 1865694238 RNANQSUWQBOCIP-HHHXNRCGSA-N 557.448 6.139 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865694480 WDILZXTYJFATNR-MUUNZHRXSA-N 510.569 5.575 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1C 1865702803 FOCPCALTTXLHML-NDEPHWFRSA-N 527.024 6.338 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707051 MPSSCBUIJAOWNK-NDEPHWFRSA-N 507.613 5.878 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(OC)c1O 1865714472 LJYIGTOVKQMDII-RUZDIDTESA-N 508.578 5.156 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867117623 SNSUOOGTVCJGSZ-UHSQPCAPSA-N 557.622 6.132 50 10 KKGE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867139658 DSPURJNAYKGDJA-ILBGXUMGSA-N 522.070 6.367 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)n2)cc1 1868320211 FLLAKPRAPXTDGU-UHFFFAOYSA-N 535.633 5.942 50 10 KKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1906222644 GUOTWZGNPLEZAM-KODRXGBYSA-N 517.853 6.763 50 10 KKGE CC(C)(C)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1910608161 STRYNOGBOPBQTK-ATRFCDNQSA-N 509.927 7.154 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(I)c(Br)c1 1923067682 HBMJSSFPELHGEW-QMMMGPOBSA-N 605.742 7.622 50 10 KKGE COc1sc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 1946721850 RKILOCUSABOMSA-MRVPVSSYSA-N 525.907 6.590 50 10 KKGE C[C@@H](Br)CCOc1c(I)cc(Cl)cc1I 1962368900 AZHKZSGBFISXSE-ZCFIWIBFSA-N 515.354 5.102 50 10 KKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CCO1 2011643459 DKYDXPXAQYDXBT-JKMUOGBPSA-N 511.899 6.287 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2050468184 UDJOZRAPBIRLJY-MRVPVSSYSA-N 589.287 7.155 50 10 KKGE Cc1ccc([C@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2092335595 OSWJNZMYQSDLHO-AWEZNQCLSA-N 511.877 7.075 50 10 KKGE COc1cc(F)c([C@@H](Br)c2scc(Br)c2Br)cc1Br 2138149172 XHWKEGYTRJKJEX-SNVBAGLBSA-N 537.868 6.668 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(F)cc2I)c1Br 2138849350 IYHNKKPGBYGODD-CQSZACIVSA-N 562.840 6.748 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)ccc2F)c1Br 2138853196 PWNMVICQTZRPAP-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCOCC1 2141468721 MXAITDFJWJLMSY-UHLUBPPHSA-N 540.315 6.833 50 10 KKGE F[C@@H]1CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471869 XEQAGXCIDYXUEF-FWXDICJISA-N 542.306 7.545 50 10 KKGE CC[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141474207 YGUUUKHFNHJZSG-CHWSQXEVSA-N 584.766 7.132 50 10 KKGE Clc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141477632 SKQRDUVCWZYWPX-CYBMUJFWSA-N 552.713 7.718 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 2165550903 GJAXCHKMESDSOD-TVYUQYBPSA-N 632.445 5.300 50 10 KKGE CN(C(=O)c1cc(I)ccc1Br)C1(CBr)CCCCC1 2170164485 JNBMMXKDHDNQND-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE Brc1sc(C[C@H](Br)C[C@@H]2CCCO2)c(Br)c1Br 2216390947 DLVQQVPCSYCOJB-RQJHMYQMSA-N 511.899 5.911 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 2217420565 GHLLYQSSQCOVLP-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 2225633328 ILFDCQLJRPJCKE-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)c(C)c1Br 2235613305 WJSORPYTGHWMNX-CQSZACIVSA-N 532.416 6.900 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Br)sc1Br 2247958163 NAWRJDVLXAHIHC-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1Cl 2268266798 WYYXQJFYFFPFLE-SECBINFHSA-N 554.323 7.182 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)cc1Br 2268278908 PLQJESXBOFRHRL-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE CCN(C[C@@](C)(CI)OCc1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2271580350 NLGHKYNNXAURGY-GOSISDBHSA-N 548.206 5.695 50 10 KKGE COc1sc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277890463 DNBBMLDCCNPRDS-SNVBAGLBSA-N 533.905 6.723 50 10 KKGE Fc1cc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Cl 2277901468 BBPXRVQBZAEEEP-LURJTMIESA-N 511.863 7.398 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2279036795 LFPFLNNKJQOJPL-ZDUSSCGKSA-N 595.294 6.963 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2279055674 DCPWMTVFCOSMHZ-CQSZACIVSA-N 506.392 6.744 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 2279137125 LMEUQFGJRPLSEM-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE Fc1cc([C@H](Br)Cc2ccc(Br)cc2Cl)c(Cl)cc1Br 2282969524 DFQCNCKAQQDFMI-SNVBAGLBSA-N 505.834 7.336 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295264260 CUJXSHJNLYKSMV-OAHLLOKOSA-N 590.773 7.724 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1sc(C)c(Br)c1C 2295371373 YJMJCEHVZDPJDL-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Br)cc1 2295459636 IARKYGIQAMGQSA-UHFFFAOYSA-N 519.439 6.898 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc(Cl)c2)c(OCC)c1 2295672648 HVMCMHUXFDGBDD-UHFFFAOYSA-N 553.080 7.225 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C 2297551552 RDMNYMYNYQCBBN-UHFFFAOYSA-N 538.520 5.952 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314414919 QQONSQFWIJPFBE-UHFFFAOYSA-N 510.569 5.317 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 2314482613 PRUQUMSQLZLCHK-JGCGQSQUSA-N 508.650 8.230 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCC(=O)Nc1nccs1 2314490297 WSHWHSVRBAGYOG-UHFFFAOYSA-N 553.463 6.119 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314490514 YNVJPOZIVCGFNJ-UHFFFAOYSA-N 584.451 6.761 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592952 DXSDJKWBKYBJEY-QYBDOPJKSA-N 566.510 6.696 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634038 FEOXTCYFNHLEHA-WJOKGBTCSA-N 522.645 7.000 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634186 XUQHWHRXIJFSSX-MHZLTWQESA-N 521.400 6.619 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643223 JOFSWPZEPPWIGE-UMSFTDKQSA-N 593.079 7.463 50 10 KKGE BrCC(CBr)(Cc1sccc1I)c1ccccc1 2316762072 MDABCEGMVBFWMB-UHFFFAOYSA-N 500.037 5.623 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324608335 QNHJQZWJKMNXAN-UHFFFAOYSA-N 524.974 6.112 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1C 2331259214 BGYGCOROBVRQIV-UHFFFAOYSA-N 508.643 7.948 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Cl)sc2Cl)c1Br 2365187724 CZIZEVWKCYWJRM-JTQLQIEISA-N 523.899 7.381 50 10 KKGE Fc1ccccc1[C@@H](CI)OCc1ccc(I)c(Br)c1 2377611392 IRNDEMQZIXJAKZ-OAHLLOKOSA-N 560.970 5.886 50 10 KKGE Cc1ccccc1NC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2794014 KDSCHMVKCNNMJP-CTNGQTDRSA-N 516.593 5.607 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)c(=O)n(-c2ccccc2)n1C 29491590 GUCSAAJHMRHNLI-RRAHZORUSA-N 641.131 7.115 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1 33380693 TXZPETWBOQIAOG-ZTKZIYFRSA-N 524.624 6.650 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38684376 OIJKWIVMCJPXAL-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)c1 38684778 JHSNROXXWGKDDS-MUUNZHRXSA-N 502.542 5.597 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686720 AWKLKZYDZMIHLZ-AREMUKBSSA-N 514.990 6.418 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc(OC)c1OC 38700416 CBKNGJWUMLLFAB-VWLOTQADSA-N 512.518 5.204 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 40822578 QZIYSZBVISDCRG-IWBSIUBASA-N 523.589 5.995 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc(C(C)=O)c1C 40847033 UEPDNNZJSIQBGZ-MZJWZYIUSA-N 509.584 5.179 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912357 YZQRNWCBDUPKHJ-UXHLAJHPSA-N 515.407 6.224 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 58890521 WHTSWZULSZTKLI-VXBCTMQESA-N 509.694 6.526 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 59116682 ZCTDHHWEMDQBEH-PDGQHHTCSA-N 512.201 6.336 50 10 KKGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 59305209 MNRRAMYWFDEEIJ-ZCTHSVRISA-N 504.546 6.693 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Cl)cc3Br)cc2)cc1 100090757 XFDOPVMVNBEJQB-UHFFFAOYSA-N 558.860 5.492 50 10 KKGE CCc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 100161173 ZPIJJBDUBDGOHB-ZJHIIFNZSA-N 608.163 7.796 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C1 101014650 XEIMDICQGLNRNX-LNYBZIJTSA-N 572.712 5.298 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242092 DIJIYJUJNARCRA-YDYXIROLSA-N 525.552 5.603 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 101245862 WTDPHGMCOAXLNH-UZEPBSNMSA-N 546.490 6.439 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337717 JLBRGCKUBNFURO-DCDUZGPOSA-N 558.707 7.395 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OC 101367697 VINQVZFOMBBPBQ-MUUNZHRXSA-N 560.603 5.337 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374641 BDTDTMDLXHMRDQ-WENCNXQZSA-N 560.622 6.384 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380302 OORJBSNUKPMHHJ-YQSCABMFSA-N 548.570 6.250 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385711 AXKDBNNRCYTDMT-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387048 SDDUHVAJGCSBOD-YTTGMZPUSA-N 582.584 5.624 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101389168 BRQAGTZDNZCKKG-JGCGQSQUSA-N 585.031 6.823 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101393151 HFPABFSDCFNCJR-HHHXNRCGSA-N 609.531 8.223 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101393665 ABVFZVUNPJZOBJ-DEOSSOPVSA-N 610.258 6.712 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCN(c6ccccc6F)CC5)c(C)c43)coc2c1 101620112 WSRWXNPTPYMOJL-JGRMKTMXSA-N 556.638 5.452 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 101734986 FMPLOFLKXKSIKE-AVCXSUOESA-N 562.622 6.408 50 10 KKGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 101799094 FRKFMDAYMBODDG-CAPFRKAQSA-N 543.458 5.181 50 10 KKGE Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2[N+](=O)[O-])cc1 102990202 MQXBUWYAOPDKTM-YBEGLDIGSA-N 517.916 7.272 50 10 KKGE COc1ccc(-c2nnc(SC/C(O)=C(/C#N)C(=O)NCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 103072056 YTBGAWVMFYXOHR-WCWDXBQESA-N 532.025 5.340 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 103742222 XJSXGDGPFBMSLS-UDXHRHDRSA-N 563.293 7.365 50 10 KKGE C[C@@H]1CCc2c(sc3nc(SCC(=O)/C(C#N)=C4/Nc5ccccc5S4)n(-c4ccccc4)c(=O)c23)C1 103908095 XJUSWZJEBNTVDZ-PHFYZZCHSA-N 542.711 6.186 50 10 KKGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCC(=O)N/N=C/c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 150446188 YMZWGEOFSLITKW-WAJJMWJGSA-N 770.792 5.337 50 10 KKGE Br[C@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCCCC2 155255533 GMGLWTYKSMAONZ-UONOGXRCSA-N 686.935 6.756 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cn1)c1ccc(Br)cc1 169004888 QRPZTRXYUHDRCU-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc(Br)cc1 200026782 UNWJTOCZSABITC-UHFFFAOYSA-N 505.316 6.215 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212165026 IBFCAXRMRXYSQK-DBEHOFAGSA-N 683.223 12.486 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 214385428 WTQJNTDIWAJTLC-RHANQZHGSA-N 586.648 6.158 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2csc3ccccc23)c1 232482194 QRSWUNPJWMLIEB-HNNXBMFYSA-N 508.016 6.753 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 233778853 URTKFEPLMGGOPB-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1cc(Br)cc2c1OCC2 236038624 BISPAHBIVRUNQU-CQSZACIVSA-N 528.409 6.079 50 10 KKGE O=C(COc1ccc(Cl)cc1-c1ccnn1-c1ccccc1)NN=Cc1nc2ccccc2nc1Cl 252590197 AQTWLJIIEHWPSV-UHFFFAOYSA-N 517.376 5.318 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(Cl)cc1Cl 252620668 MJIVAZHVGWLXOR-MRXNPFEDSA-N 503.459 5.322 50 10 KKGE CCN1C(=O)C(=NNC(=O)c2c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n23)c2cc(C)ccc21 254397540 WRJQXDOMKWHGBV-UHFFFAOYSA-N 552.638 5.813 50 10 KKGE CC(=NNC(=O)c1ccc(C(=O)NN=C(C)c2ccc(C3CCCCC3)cc2)cc1)c1ccc(C2CCCCC2)cc1 254481927 USAUIDNOGGADIG-UHFFFAOYSA-N 562.758 8.090 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)Cc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)Cc3ccccc3)c2c1O 254483416 CMPBVRXRSCQBDI-UHFFFAOYSA-N 782.894 8.143 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 256833446 WBXYUFMFVHCXRR-SQIDWUMKSA-N 683.882 6.083 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2ccc(Br)cc2Br)c1Br 380141808 PWRQPOCZRBEDOM-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2Br)C1 394680669 YMJFNWBYNLDOKK-PBHICJAKSA-N 534.619 5.890 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/C(=O)C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 575327237 AFEHGYWCWWNYJP-PPGRKQAGSA-N 697.162 10.901 50 10 KKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 701596152 OEMQXSWWUQCZAF-NSHDSACASA-N 515.027 5.079 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cc(Br)c(Br)s3)c1)OCCC2 711149025 IMDKQIBIJYTHDB-LBPRGKRZSA-N 545.916 6.845 50 10 KKGE C[C@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCBr 721614338 AQGZNCRPEUAEMA-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE O=C(Nc1ccc(F)cc1)OC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238435 ISJUAAJZYWNQPI-XMMPIXPASA-N 525.001 7.241 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 725439837 WPVWQHYMDWJRHJ-NDEPHWFRSA-N 640.372 7.306 50 10 KKGE Cc1c(/C=C(/C#N)c2nc3ccccc3s2)c(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1ccccc1 1082888751 QNSBCYSLTKVAFB-SWRBISBUSA-N 539.689 8.442 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084316362 NUCROQHZLRDKHG-UHFFFAOYSA-N 542.644 6.761 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(C(=O)O)c1 1084566589 ZTKANNZIXAIDAF-YDZHTSKRSA-N 544.007 5.763 50 10 KKGE CC1(C)CC[C@@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@@H](O)[C@H](Br)C(C)(C)[C@H]6CC[C@@]54C)[C@@H]2[C@@H]1OC3 1565534813 KJMGDBGFBNCRQT-FLZPHKFQSA-N 521.624 7.611 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749793 ZUBJKCDZHGHUPG-UHFFFAOYSA-N 549.627 6.006 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 1772755133 PAIPPWZKZRRHPK-UHFFFAOYSA-N 661.441 7.555 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687725 YVZCVBZJXBNYLS-QHCPKHFHSA-N 529.394 5.543 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690074 IEEQUKJXAMWLDB-HSZRJFAPSA-N 520.486 5.886 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OCC 1865691728 ZOJRMEOGWOXEQV-AREMUKBSSA-N 507.034 6.079 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865693786 YXMDXTMPMIZVID-DEOSSOPVSA-N 553.457 5.748 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865694012 NZQCQIPYEIRCJU-RUZDIDTESA-N 564.539 6.285 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865696304 LVHVOZFPYCCIOF-SANMLTNESA-N 516.642 6.010 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1ccccc1C 1865703681 YXFACSUYNSBCAZ-MHZLTWQESA-N 522.605 5.600 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705950 KKAJHGYFAQCNQE-HHHXNRCGSA-N 524.596 5.747 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715215 ZHKYYGURAUJTIR-OAQYLSRUSA-N 520.332 5.678 50 10 KKGE C[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946125 LGBMTNYILNBIPE-QMHKHESXSA-N 526.431 5.631 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872755738 CTKMARHYVKEKEI-FXBPSFAMSA-N 516.450 6.646 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1Br 1924602555 ZAONJDUTWSLIGY-BTQIBKBOSA-N 549.992 8.078 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CI 2065341573 HISNRFHCHAMNRT-ZMYUQALBSA-N 554.673 9.257 50 10 KKGE FC(F)(C1CCCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 2065542386 WPHCTJDPWIEYTJ-MRVPVSSYSA-N 531.880 7.297 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 2069358254 YCOIJPSIDUQDNN-GYKDIDORSA-N 812.448 5.694 50 10 KKGE F[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085493375 BABSLDSNKJEDCW-SFYZADRCSA-N 542.184 6.917 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085495699 RYERMURNIQKOKK-NEPJUHHUSA-N 526.288 6.443 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2085496903 YKVROHKKUCVPIA-LBPRGKRZSA-N 582.775 7.591 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C2C[C@@H]3C1[C@@H]3C2 2141471181 OVESFDKRZIESBY-IYOAXTTFSA-N 534.311 6.919 50 10 KKGE CC(C)C1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141475929 UEMCKAKSGGNIPB-TYAJBCFHSA-N 582.794 7.855 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2156118354 XXXFESJGTRSQHA-DCUMQYTISA-N 513.467 7.578 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@@H](Br)c2cc(Br)sc2Br)c1 2200838644 WRTVTBNMRPNXNK-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 2203003091 QNBPZMCTNBVFJH-ZDUSSCGKSA-N 595.294 6.963 50 10 KKGE CCCCc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2207271046 FSBMDGSKIAUQCO-KRWDZBQOSA-N 508.035 6.881 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1I 2224628419 NVNPFPAJNLYOOL-CQSZACIVSA-N 518.389 6.639 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c(Cl)c1Cl 2232508498 GEXXGLYMYDJCLJ-NSHDSACASA-N 634.158 8.261 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2232521710 VAWILNHWXUBFLZ-LLVKDONJSA-N 634.158 8.261 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2sc(C)c(Br)c2C)s1 2234469707 JBDMZSVLQHYJET-GFCCVEGCSA-N 503.119 6.972 50 10 KKGE Brc1cc2sc([C@@H](Br)c3sccc3I)cc2s1 2252873365 DKTOYYGMUUKRNM-SNVBAGLBSA-N 520.074 6.876 50 10 KKGE COCC1([C@H](Cl)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 2278203749 DSQKUCUDKWFNGS-SSDOTTSWSA-N 503.428 6.377 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(I)ccc1Br 2288347132 QEECBULESRRTSZ-GFCCVEGCSA-N 601.248 7.185 50 10 KKGE COc1cc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(OC)cc1C 2295887858 OBSCNOVVYJIKPT-UHFFFAOYSA-N 524.396 5.981 50 10 KKGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)NN=CC=Cc1ccco1 2297458931 UHFDFMJLGMGXBU-UHFFFAOYSA-N 508.401 5.197 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 2313630931 WPOFQFPMTLRERM-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2313631339 OIRQJRVJLUGXSS-UHFFFAOYSA-N 515.780 6.810 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593378 MDGHTAOWJJHQAL-AFMDSPMNSA-N 565.617 6.408 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593479 NNJXTOCBQJZYLP-OAQYLSRUSA-N 500.451 5.845 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314618865 VRQXMYWLOGEMIG-UHFFFAOYSA-N 593.083 6.400 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620218 MUNORVNDQCFFFV-UHFFFAOYSA-N 598.725 5.603 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)c1 2331376751 PKVZIKAHUYPSCL-UHFFFAOYSA-N 505.640 6.391 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 2331396985 XBXGFAYOFPRMTD-UHFFFAOYSA-N 502.552 5.413 50 10 KKGE Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 2333271033 ZZMOJCPJGSXIEK-RTOKGZNSSA-N 737.165 9.389 50 10 KKGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)CC[C@H]1Br 2349834332 KHNGXTYJBGCJEG-GFCCVEGCSA-N 508.970 5.048 50 10 KKGE F[C@@]12CCC[C@@]1(CBr)CN(Cc1ccc(I)c(Br)c1)C2 2377349295 DFRYTPRIBJDPMS-HUUCEWRRSA-N 517.018 5.143 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38684491 RKWFVRJVXNTTOZ-ACSYHNTCSA-N 512.606 6.190 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(C(C)(C)C)cc3)nc12 39858520 DNXDCABUGHTULN-CYVLTUHYSA-N 512.997 6.292 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2)c1cccc(C)c1 40826994 BEEKERXZWFVPIS-FEZSWGLMSA-N 511.622 6.325 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 40870110 DPHUIHSKKCPCRJ-NCELDCMTSA-N 526.633 5.981 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914779 YMQBEXYDXCJJBM-LTFVAXTNSA-N 501.067 5.486 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(C(C)(C)C)c(Br)c3)cc2)cc1 100083379 NKZZWIXGDUAFEF-UHFFFAOYSA-N 609.590 6.246 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCc3ccccc3)cc2)cc1 100132866 TXGCAPBQLXVCAE-UHFFFAOYSA-N 602.757 5.218 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1 100158381 GEOZMUZPQAKLEC-UHFFFAOYSA-N 535.666 5.053 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 101012139 ZUDAQXYABUOIGN-XHPQRKPJSA-N 575.068 7.716 50 10 KKGE CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 101034393 LXLYPTUABXBBBT-UDWIEESQSA-N 538.581 6.084 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(CC)cc1 101241502 XMCVMSPKOCYPJA-GHIWRQRASA-N 519.976 5.650 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101336711 XIIAZGAOFJZQPK-UXHLAJHPSA-N 601.062 7.157 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101338128 BZSSEFWVLSOWFB-PPOKSSTKSA-N 625.128 7.607 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101367642 NXBXWSMLYDKCNG-MUUNZHRXSA-N 569.441 6.383 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 101369124 RQXFJOUBXWYYIV-XMMPIXPASA-N 525.786 5.477 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379647 UWMZDDWSMVDFSM-MAEVIZKRSA-N 549.026 7.064 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380838 BUCOFZAIGWSOEM-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccccc5F)ccc43)c2)cc1 101382219 KKMPMDTVEUUZIL-ROTAYESASA-N 550.586 6.304 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(Cl)cc1 101386007 CLHAEPJSWIVMCV-SSEXGKCCSA-N 569.013 6.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(F)cc1 101387096 ZYLHFURCDJMOBA-MHZLTWQESA-N 528.561 5.912 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 101393481 RMKCLPHXTOGWPL-VWLOTQADSA-N 585.440 6.245 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611934 YCILKWIHVJCVFP-UXHLAJHPSA-N 555.245 6.690 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 103724419 XVIXMEAFDSVBRN-KKYHWDRJSA-N 556.663 6.795 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 103742084 PVNZHLXAHZUILX-BSSRNLCFSA-N 532.463 5.500 50 10 KKGE O=C(COc1cccc(Br)c1)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 103866468 OFVKSXABKHSCPB-AUEPDCJTSA-N 544.652 6.138 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1 103878212 ICBAFAAGXHFVKN-KKMKTNMSSA-N 593.190 6.282 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccccc3)n2-c2ccccc2)o1 103929283 JKJGJBVCKITUEP-ATZGPIRCSA-N 587.105 6.256 50 10 KKGE Brc1cc([C@H](Br)c2csc(I)c2)c(Br)s1 118884114 HSJDLIVLCBDCPG-MRVPVSSYSA-N 542.881 6.424 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 150382964 KCCPSVMJJPEOPO-OADPBGPJSA-N 684.268 5.137 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 150422091 GYQHQTJMHBTWDI-CAOOACKPSA-N 627.693 7.775 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1 150427131 YZVXRMQFVALLJT-LCVHJTKWSA-N 667.338 6.004 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)COc4ccccc4I)c3C)sc3c2CCCC3)cc1 163785010 NRBSOMQMNYDDHT-ATZGPIRCSA-N 666.585 6.729 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 214314915 XBBOEQKNKYALMT-PKAZHMFMSA-N 530.584 5.798 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214365704 DVSCYFKXPRKLIH-GMEAVFFOSA-N 618.737 8.196 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214407793 XQKFODRAJLUUBI-MIXAMLLLSA-N 544.586 6.036 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 235812301 RSPKIVWYZKUQMO-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1 254301565 TXADQCAOTSBSJF-FQEVSTJZSA-N 605.713 5.537 50 10 KKGE COCc1cc(C)nc(SCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1C#N 254392220 FCGFOZQWOYNENP-UHFFFAOYSA-N 571.706 6.775 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 254498471 FAORFHKENNZAJH-UHFFFAOYSA-N 532.065 6.198 50 10 KKGE COC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)sc2c1CCCC2 256017281 BORHOQWKQKCSJQ-UHFFFAOYSA-N 528.030 5.810 50 10 KKGE Cc1cccc([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1I 380175493 ZQGREWXSOADUOU-SECBINFHSA-N 539.980 6.927 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC[C@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]21C)C3(C)C 504791574 LKHIBBPOJARUFY-XXMBDEDTSA-N 968.182 6.765 50 10 KKGE CC[Si](CC)(CC)O[C@H](C(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 575417460 SNFQGZFZXWNAEJ-JGDNJXIKSA-N 922.154 6.289 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588244 LAVSLNMQPNHPSL-OLOBTRBMSA-N 697.001 9.876 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616590502 SAHJWPXTHJECLJ-MPJBSJSCSA-N 755.034 6.751 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4NC(=O)C[C@@H](Cl)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 675083738 MKZGQDFQXQLWNU-NRKRPTEYSA-N 564.998 7.017 50 10 KKGE Cc1sc([C@H](Br)c2ccc(I)c(Br)c2)c(C)c1Br 724929559 XPKLIHUXDXUWOX-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 725427363 DUKKOQKZTFSAOI-JOCHJYFZSA-N 719.155 6.201 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)S(=O)(=O)c2ccc(SC)cc2)cc1 725448669 JJUUUMKMKPBAMT-UGNDHHRCSA-N 701.314 8.023 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 1083818460 VVTDWWSTBCENLT-VWIBXMKISA-N 752.933 8.437 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cc(OC)ccc1OCc1cccc(Br)c1 1083888481 CKAQPMOWPLLTHO-VWLOTQADSA-N 626.345 7.260 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(C)cc1 1083973193 XNIMNDFEADJQLV-QRVIBDJDSA-N 552.412 5.801 50 10 KKGE COc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c([N+](=O)[O-])c1 1084046347 HMBVOHDHVZUXRH-UHFFFAOYSA-N 597.678 6.689 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(F)cc1 1084051714 BAVSESLPNHRUQG-LICLKQGHSA-N 564.238 7.418 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1 1084211511 DMMLWALCNRSCCY-UHFFFAOYSA-N 704.406 8.471 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 1084297525 YFFHEVMIKGPVNJ-UHFFFAOYSA-N 522.388 5.987 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 1084427148 MIUNGUUNRXQURE-VGOFMYFVSA-N 543.053 5.548 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(I)cc1 1084451603 COYFZZQLNVRILG-UHFFFAOYSA-N 681.574 8.137 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccc(I)c3)cc2)c2ccc(C)cc2)cc1Br 1084467463 WQAXFQQVXBKRTJ-UHFFFAOYSA-N 732.438 6.920 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 1084493580 WVRIOZVGLXITHE-HSZRJFAPSA-N 637.312 5.995 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 1084493847 QAZLOQUIZOJFKF-WOJGMQOQSA-N 546.248 7.279 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CCc1ccccc1 1084540850 HLWNGTGCEXOVEH-UHFFFAOYSA-N 511.714 6.735 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 1084588157 KXUVLRRVDMHTIV-JOCHJYFZSA-N 583.253 6.141 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C 1084627975 NWERCYXIKPHROF-ODLFYWEKSA-N 530.249 7.497 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)c([N+](=O)[O-])c1 1565517517 HXYSOCHXQOFKED-UHFFFAOYSA-N 575.618 5.786 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2Br)[C@@H](CI)C1 1614641920 IUWVMNUUFNFRJK-YOEHRIQHSA-N 545.171 5.145 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 1772754816 WVLBUULFICNLRE-UHFFFAOYSA-N 519.480 6.243 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C(C)(C)C)cc1 1772760352 FKNLBCNZPBFYKP-UHFFFAOYSA-N 519.692 6.424 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434900 RGULCXDJBDOAKJ-WHLULQPHSA-N 635.352 5.642 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1848436046 FFXHNCNNHASXCT-HQNZAYSTSA-N 988.212 11.054 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684436 YILPZTGPJPZFJB-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865686942 FSIXJEZOCSRZAA-DEOSSOPVSA-N 527.452 6.537 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689667 CETJEFHGJGEFQV-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865691169 LJCMEWDLLZTCQS-SANMLTNESA-N 573.491 6.756 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)cc1OC 1865691651 XMMCXLZGYCMMNF-VWLOTQADSA-N 567.484 6.138 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865693194 SPUPOJORIVIYLF-QHCPKHFHSA-N 571.903 6.315 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865697700 ZTSVGGZOYCDYFI-NRFANRHFSA-N 543.849 5.535 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5cc(C)ccc5nc43)n2)cc1 1868320449 KTIZMVIVVQTKAS-UHFFFAOYSA-N 500.631 7.320 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)C2 1868455831 DMQSLDNOYWYHAV-UHFFFAOYSA-N 541.652 6.914 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2c[nH]c3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872753433 WXGAKPXMRHTZCO-HBBKMXGMSA-N 500.605 5.502 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OC(=O)c1ccccc1 1872790539 PSBZRVSSRJJFHU-YBFXNURJSA-N 507.398 7.409 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1sncc1Br 1899894463 XGXKGEKJMGAHQU-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE CCCCCCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924584284 VZQUBVYKXRERTE-MRVPVSSYSA-N 511.943 7.832 50 10 KKGE Cc1nc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)s1 2003570926 VUPUAXWHTMHLIT-RXMQYKEDSA-N 545.341 6.891 50 10 KKGE O=C(C=Cc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 2042445819 ZDUUUKIVZIUQED-UHFFFAOYSA-N 569.264 5.031 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2050466650 DAHQBMNUZHBSAR-SECBINFHSA-N 589.287 7.108 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@@H]3CCC[C@@H]23)c1Br 2085496314 VVWLVSSDPJEXAC-VVTLTYDVSA-N 566.751 7.219 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2136368827 HBRROAUJUIQJQO-LBPRGKRZSA-N 507.900 7.634 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141471247 PKTUNWAREQCKMC-SECBINFHSA-N 594.683 7.515 50 10 KKGE Cc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2142290568 COSQKRLEWVSNLA-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)cc1OC 2172568234 AMPMEVRQCUHAGA-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC2(CCC2)CO1 2206397309 HUVDBPULSLWQIU-NOZJJQNGSA-N 552.326 6.976 50 10 KKGE FC[C@]12C[C@]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206398832 ZKDUSHYYQNYNMK-AVGNSLFASA-N 556.289 6.535 50 10 KKGE BrCc1cc(Br)cc(Br)c1OC[C@H]1CC1(Br)Br 2213086245 WPDMFIKQOBSDGS-SSDOTTSWSA-N 556.712 5.991 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(I)cc1 2218596538 GCCFLLPVTHONNZ-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232512460 UGOMNNCLYCLQAP-LLVKDONJSA-N 526.252 7.795 50 10 KKGE O=C(Cc1cc(Br)cc(Br)c1)N(CCCBr)Cc1ccccc1 2245968921 KGBZPTZGUMIVIX-UHFFFAOYSA-N 504.060 5.568 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2c(F)cccc2I)c1Br 2267663293 MVUZWRZYDWSCIX-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(Cl)c2)o1 2293031342 WJNONDJOWNSKKI-UHFFFAOYSA-N 533.005 7.059 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C 2293606129 MIULKAAZEMVQPY-UHFFFAOYSA-N 568.367 5.431 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OCc1cccc2ccccc12 2294156073 KMZXKDIURMKRST-UHFFFAOYSA-N 610.451 7.731 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nn(-c2ccccc2)c(N)c1C#N 2297296079 DXMUXLUTHQVNME-UHFFFAOYSA-N 522.613 5.279 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1 2299501606 PQSLATMOBYROIG-MHZLTWQESA-N 538.279 8.091 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CCC[C@@H]3C[C@@H]32)c1Br 2309957998 RXCKJGXTTQBTDH-LURQLKTLSA-N 521.938 7.298 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1 2313511171 RMEXBMLEQXLLJU-UHFFFAOYSA-N 636.227 6.029 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 2313568631 VJCCUFROEVJZIF-UHFFFAOYSA-N 607.673 7.140 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568867 ZUBCCZBJBJLOCT-UHFFFAOYSA-N 672.317 5.617 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571313 SBCGRPBUNUJKMI-UHFFFAOYSA-N 561.079 8.732 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314611720 ZHQRGASFRQAJPW-UHFFFAOYSA-N 560.629 6.650 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 2314616770 JIZYJGSOCGTZFQ-UHFFFAOYSA-N 558.638 6.129 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314618028 GBMWKTFVGPTESD-PMERELPUSA-N 588.639 6.029 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314618907 WLUHOOQHKNTJQZ-UHFFFAOYSA-N 572.665 6.137 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)C(C)=C(C#N)C2=O)cc1 2314619722 CZUOMQRKYGMPGV-UHFFFAOYSA-N 593.481 6.145 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620351 NYYNVSQVKCHFEY-UHFFFAOYSA-N 528.992 5.729 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5)ccc43)c2)cc1 2314640776 XRYGJHGQFWVZJR-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 2314737803 VLXHZKZVLUQQQR-UHFFFAOYSA-N 504.608 6.325 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 2314750873 AMUJPOFFFHCAKP-HSZRJFAPSA-N 594.664 6.764 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Br)s2)c1Br 2315449002 JMMOZHRSUKEMPU-SECBINFHSA-N 542.287 7.312 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2cc(I)ccc2Cl)C1 2327239786 FZLQTBCIXPMQHY-GOSISDBHSA-N 544.655 5.626 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699380 NJSMTQMPZXBEEG-UHFFFAOYSA-N 523.452 7.023 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331360378 YVNMNBKDGPOJPT-MRXNPFEDSA-N 509.414 8.169 50 10 KKGE Cc1c([C@H](Br)c2sc(Br)c(C)c2Br)ccc(Cl)c1Cl 2339133017 XTIJEPWAAHBWOT-JTQLQIEISA-N 507.900 7.681 50 10 KKGE Cc1sc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1C 2362232782 RVPPUKYINRJQBC-LLVKDONJSA-N 570.341 7.929 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1C 2362488367 VOPOACXMCZZZNY-QMMMGPOBSA-N 526.281 6.698 50 10 KKGE ClCc1ccc(Br)c(Cl)c1OCc1ccc(I)c(Br)c1 2377642678 VFCDSYUMKYZPHF-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE CC(C)C[C@@H](CSSC[C@@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 16921574 AEWOICLODRFYKF-WMPKNSHKSA-N 532.772 7.050 50 10 KKGE biogenic CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1F 38604375 JSKPSSQKFXIIFL-BUVRLJJBSA-N 512.585 5.858 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38656068 IZAUPUSBOBESFH-QMTYFTJSSA-N 523.416 6.708 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1Cl 38700492 AOUAFBZNRXLDRE-HSZRJFAPSA-N 513.352 6.359 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38700656 RXPGPPTXZWYMOF-HHHXNRCGSA-N 508.574 6.584 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 40826742 KSVGZIWQBSMMFO-FEZSWGLMSA-N 513.594 6.001 50 10 KKGE ClCCc1nc2cc(I)ccc2n1-c1cccc(I)c1 97353793 QQRJYVWKDWQOQP-UHFFFAOYSA-N 508.528 5.016 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 97994709 PHJCELNOSGLPCF-BKUYFWCQSA-N 513.991 8.090 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 100190991 BKWCBWSJBXEAMT-KRWDZBQOSA-N 558.498 5.130 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)CC1 101013676 RNNZVNVKZOXHGQ-PLRJNAJWSA-N 606.708 5.444 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C[C@H](C)O1 101013817 VERWNHHSYSJYHR-QQJOZCOBSA-N 578.698 5.288 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246646 AIGFGJJREBSDBF-VJFFKGOWSA-N 554.455 6.076 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101307153 QBPVTCVHUMGRBU-NDEPHWFRSA-N 547.007 5.733 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101341370 HFGULQFRHPDJGT-NDZAJKAJSA-N 621.093 6.317 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)c1 101369044 DJJWZBJZGTXHDO-SANMLTNESA-N 549.421 6.074 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101373624 DIIKYPLVCOFGOF-MUUNZHRXSA-N 560.603 5.337 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 101376152 AOHQJZKMGREBIM-WJOKGBTCSA-N 540.660 6.612 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380337 YKRKBFHXMWAZJX-WJOKGBTCSA-N 550.586 6.224 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1 101386189 GUMDWWQVWYSLBO-GDLZYMKVSA-N 583.984 6.273 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388329 ZRDPNYBIQLWJBB-DHUJRADRSA-N 625.121 7.644 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1 101392903 FBVPMPQSCWUUCP-IOWSJCHKSA-N 562.578 5.238 50 10 KKGE COc1cccc(N/C(SCC(=O)NN(c2ccccc2)c2ccccc2)=C(\C#N)c2nc3ccccc3s2)c1 102931690 OHWPVLPFOKWQJW-BXVZCJGGSA-N 563.708 7.212 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1OC 128553892 FNAWBTCNKVMLQK-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 129149642 ZVOQHVBYRRFHSM-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(F)c2)cc1 150410988 IVWHTEITKSCXKS-MWEZWSPGSA-N 714.775 6.183 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433312 LXHLITOXVPANBZ-YTTGMZPUSA-N 662.482 7.082 50 10 KKGE C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1 150461980 GTEXASFKPWBCFJ-FPLPWBNLSA-N 622.275 6.403 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 150462254 ZCTBIVHAPSNLHX-HKBQPEDESA-N 665.957 8.461 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485022 GEIDXHBVXNQOIA-GDLZYMKVSA-N 642.322 8.325 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 150485809 OFRNIVFNYMCNGU-YTTGMZPUSA-N 631.512 7.807 50 10 KKGE CCOC(=O)C1=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OCc2ccccc2)c1 150591378 OFSPVEBKXYQUIA-HEMCHOGLSA-N 641.749 5.059 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)cc1OC 161086224 XOOKQJBWMHVYEE-OAHLLOKOSA-N 543.875 6.476 50 10 KKGE O=C(N[C@H](CCSSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O)OCC1c2ccccc2-c2ccccc21 196276438 NCFXZAOAWVFTCF-KKLWWLSJSA-N 712.846 7.132 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Br)cc2)cc1 198744300 XBMYOCKFMDXPNJ-MUFRIFMGSA-N 546.425 6.271 50 10 KKGE CC(C)(C)[Si](C)(C)OCCNc1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1 201130010 IUINRBHUAKWIAL-SFHVURJKSA-N 510.132 5.590 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205658328 NHKQQIRYKNAFQB-MWPNUWLOSA-N 594.752 8.179 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214219490 RSYVSLVMOMLCBQ-MIXAMLLLSA-N 546.602 6.260 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214299603 GPCLZAHOFIVNPX-MIXAMLLLSA-N 552.675 5.901 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 214392206 JYPWGDXXPHGSTL-FSGOGVSDSA-N 570.649 6.214 50 10 KKGE COc1ccc([C@H](Br)c2cccc(I)c2)c(OC)c1Br 224863022 ABNPMUDGFNVMBF-CYBMUJFWSA-N 511.979 5.555 50 10 KKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Br)cc1F 230275305 FDAJMXZAISUJKP-WTGRHJARSA-N 530.265 6.250 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)cc1Br 235823726 LOGQULSSDDJFSX-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE Fc1cccc(F)c1C[C@@H](Br)c1cc(Br)ccc1I 236180841 ARAVMQJINNAEMN-LLVKDONJSA-N 501.934 6.011 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc(N2CCOCC2)cc1 254311654 JSLKABHCHGOXPD-UHFFFAOYSA-N 526.640 6.559 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnc2-c2ccccc2)cc1 254481758 LEQQYORZWZLMSS-UHFFFAOYSA-N 525.556 5.594 50 10 KKGE Cc1cccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2cccc(C)c2)c1 254834969 WSORCENMMULBLS-UHFFFAOYSA-N 560.242 5.577 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2ccc(F)cc2)[C@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 256012287 XXMINDVVBVJXLN-NBRFXYHLSA-N 716.974 10.041 50 10 KKGE CC(C)c1ccc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256020001 RAWORKWOGASXDP-MDASCCDHSA-N 523.103 6.401 50 10 KKGE CCCCC/C=C/C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC 256108423 KBIIPAPVKFNOGB-SGOHIVFRSA-N 611.392 11.975 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 256631130 ZTAIYJPKYUNPKQ-DITAPJQTSA-N 773.125 7.141 50 10 KKGE CCCCCCCC(=O)NN=C1CC[C@@H]2C[C@@H](OC(=O)c3ccccc3)C[C@H]1C2=NNC(=O)CCCCCCC 575733188 PJTFIWCSJCSZJI-ZONZVBGPSA-N 552.760 6.697 50 10 KKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)sc1Br 721589237 RYJSIPQSNUDMGI-LLVKDONJSA-N 506.428 6.514 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1083959419 JHCZXIGERBSWRS-UHFFFAOYSA-N 719.632 7.915 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 1083994828 QFEZDKNALXYGDM-HHHXNRCGSA-N 608.476 6.386 50 10 KKGE N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 1084157648 PXRLNCWJFWAHQV-GXDHUFHOSA-N 522.266 7.258 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084329676 MUXVSVKHUMCHMJ-KGENOOAVSA-N 646.298 6.028 50 10 KKGE C=CCOc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 1084355654 ZDHONQFRGXPZJJ-UHFFFAOYSA-N 522.193 5.685 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084377264 UBBYZDHKYFZFSK-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1084390661 FHIOTKGKVBSFFL-AREMUKBSSA-N 513.554 5.154 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(I)cc1 1084600776 RAEVQFBUAQLHTL-NHFJDJAPSA-N 633.530 6.253 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)c(Br)c1 1772747169 LTJGMRRPPYUFFB-UHFFFAOYSA-N 560.246 5.539 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751493 SFOMDZGIDJXNRT-UHFFFAOYSA-N 542.599 7.274 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCCc1ccccc1 1772753880 MBJCXCVRBPBXNO-UHFFFAOYSA-N 522.645 6.172 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Br)CC[C@]4(C)[C@H]3CC[C@]12C 1848665439 HQCIIKWOMRRRPN-KQMZOHCDSA-N 521.624 8.723 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Br)c1 1865683409 CRMKENJRKCQWHQ-OAQYLSRUSA-N 538.232 6.827 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687544 UNMZSXSCHXHROM-HSZRJFAPSA-N 519.388 6.087 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OC 1865695666 GEWVANXAUOXCRZ-NDEPHWFRSA-N 571.077 6.997 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865696016 JPHSTYLMVOUCSE-QHCPKHFHSA-N 578.994 6.929 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696375 DYQUZCDDTFTMLS-NDEPHWFRSA-N 575.496 6.980 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865696476 NPCYAKIAIOYAGF-JOCHJYFZSA-N 564.967 6.538 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697559 WLFFQYDLWODLEX-MHZLTWQESA-N 538.604 5.570 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc2c(c1)OCCO2 1865698015 HZZBJKCWBRQWOT-XMMPIXPASA-N 514.944 5.380 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700896 HFNNXIAYOKLGIP-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701606 ZHYBCALIHKPZTM-AREMUKBSSA-N 565.888 7.582 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)c(Cl)c1 1865703311 SWNJLGKSKRPWQZ-SANMLTNESA-N 561.469 6.921 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704063 LVIIBYBVYCXOGT-XIFFEERXSA-N 576.656 7.498 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704800 FCUSBQYQFMROOP-DEOSSOPVSA-N 562.413 5.582 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705434 VXLLPEPFNLTJOU-NRFANRHFSA-N 536.897 5.982 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865707521 YOKQJIAHGXIKSU-WJOKGBTCSA-N 553.666 6.793 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865709331 URMIGINYOQVEBP-XMMPIXPASA-N 561.425 5.919 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712388 XEVIDWCSYINPRT-PMERELPUSA-N 558.613 6.543 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2CCc2ccccc2)n1 1868253558 LKIAMTFAERFUEE-MUUNZHRXSA-N 521.690 6.719 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccccc2Cl)cs1 1872746170 VSIWQAZAXXRENR-CYVLTUHYSA-N 510.240 7.531 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)Cc2ccc(OCc3ccccc3)cc2)n1 1872755323 IIZXDOLXVNHKGG-RWEWTDSWSA-N 503.023 7.395 50 10 KKGE Cl[C@H](Cc1ccc(Br)cc1)c1c(Br)sc(Br)c1Br 1924593087 CAGNKWCNWZLGTO-MRVPVSSYSA-N 538.324 7.321 50 10 KKGE FC(F)Oc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924601249 KEPFZULVVXPELJ-MRVPVSSYSA-N 555.858 7.121 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(Br)cc1Br 1925583734 FPTCBVROBHZADE-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2053623397 WECWWMAQJSTJOU-UHFFFAOYSA-N 730.094 6.691 50 10 KKGE Cc1cocc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493707 FWZQIVLEBACQPN-GFCCVEGCSA-N 522.256 6.966 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1Br 2086149881 TVWGXYXIVNJDFX-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE CCOc1ccc([C@H](Br)c2csc(Br)c2Br)cc1Br 2093942691 YHMAPPAUNINPIW-NSHDSACASA-N 533.905 6.919 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)s1 2094094859 GWOFYOILZHQQTI-GFCCVEGCSA-N 533.905 6.666 50 10 KKGE CN(Cc1ccccc1)[C@@H]1CCCCN(c2c(CBr)ccc(Br)c2Cl)C1 2112860134 ZFAHGDKFVYOWHT-GOSISDBHSA-N 500.706 6.488 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)ccc2Cl)c1Br 2138851708 PXXZOWNIYXJOKZ-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE C[C@@H](CC(F)(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469453 VLVPHOFMPWZWGV-RNHFCUEFSA-N 596.699 7.761 50 10 KKGE CC(C)CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141473315 NQCGYVGUMLKBIY-CYBMUJFWSA-N 582.794 7.999 50 10 KKGE COCc1csc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206396515 XUITUYJAWXTQHF-CYBMUJFWSA-N 568.350 7.273 50 10 KKGE FC(F)(F)COCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399404 GYXOXAMOXVOCPN-YFKPBYRVSA-N 612.698 7.142 50 10 KKGE O=C(NCC[C@H]1CCCC[C@H]1Br)c1ccc(Br)cc1I 2207259450 AOKVZFUMWRTFOZ-ZWNOBZJWSA-N 515.027 5.127 50 10 KKGE Cc1cc(C)c(C)c([C@H](Br)c2ccc(Br)cc2I)c1C 2207272642 OUHUISDKURDUJF-QGZVFWFLSA-N 508.035 6.772 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1csc(I)c1 2213494149 ZFKBRCRTEROEKJ-NSHDSACASA-N 510.391 6.345 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2ccc(Br)cc2Br)c1 2224052143 BPDAYJSLTKPPLA-CQSZACIVSA-N 500.399 6.453 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(Br)cc2I)c1 2232137399 GCNWESLEUAFDFQ-CYBMUJFWSA-N 534.844 7.039 50 10 KKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233976841 QPONPYLDQCPACV-LLVKDONJSA-N 507.038 5.300 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2csc3c(Br)cccc23)c1 2241002143 SYBLEPCCWGEYKM-HNNXBMFYSA-N 522.043 7.061 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)cc1Br 2267746600 KURVDJXYAOTYET-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2268278692 OTSLYSZSMLOFLJ-CQSZACIVSA-N 516.398 6.200 50 10 KKGE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NNC(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2295923764 UCVUVHDSLKLSID-UHFFFAOYSA-N 651.644 5.024 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)cc1 2296073664 SKCPOVZZXZJQJB-VWLOTQADSA-N 502.039 6.330 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1 2296705990 IBTKZQMUGRFDPC-UHFFFAOYSA-N 545.042 6.995 50 10 KKGE N#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571076 MTGXVSHLGFYJGH-UHFFFAOYSA-N 530.003 5.966 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 2313738879 VWBZLJFXKQJQRX-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1Cl 2314533963 VPLFBIZALNFCIN-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314611060 PJUKTZRKJZKDPQ-UHFFFAOYSA-N 530.653 6.444 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 2314616911 MSTCXFCXWLKIJA-UHFFFAOYSA-N 616.718 6.489 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314617903 CVKTVDLQHKSHDV-MUUNZHRXSA-N 550.659 5.735 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314618698 RZWACIPTIQOAHT-MUUNZHRXSA-N 564.686 6.044 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314620530 PXJGUOBPUYSOFK-UHFFFAOYSA-N 581.883 7.417 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 2314634100 LXAOIWUBWDJSMF-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)cc1 2314737331 YYEYXQNIWKWGPJ-UHFFFAOYSA-N 544.607 6.116 50 10 KKGE N#CC(=Cc1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1)C(=O)NCc1ccco1 2314760327 LHTDIHZQMVHREG-UHFFFAOYSA-N 574.631 6.754 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c1 2331319486 ZODAUPSEDADFCH-UHFFFAOYSA-N 505.599 6.216 50 10 KKGE COC(=O)C[C@H](O)C[C@H](O)C=Cc1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1 2333199450 WCJUVVBQCXVFLK-JWQCQUIFSA-N 573.822 7.345 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)ccc1Cl 2360493089 OTUQOJRUZNGIEX-LLVKDONJSA-N 526.252 7.795 50 10 KKGE Fc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362220409 JTLVVYYJFIFYKB-NSHDSACASA-N 554.248 7.390 50 10 KKGE BrC[C@]12CCC[C@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377334751 MBJVGWYLPXLBGP-HZPDHXFCSA-N 513.055 5.583 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 2381234914 QYPAHXLLKWUARY-GFCCVEGCSA-N 503.481 6.982 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccccc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 19651022 SRPQGJUYJAYVMW-STBIYBPSSA-N 510.644 5.665 50 10 KKGE CCOC(=O)c1sc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c(SC#N)c1C 20570700 BOXZOJVCRCYZNV-UHFFFAOYSA-N 515.638 5.168 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCc1ccco1 35446236 ILTHYDNWWIHAMG-JLPGSUDCSA-N 518.548 6.074 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38658023 BZCBBWYXPRSUGI-XMMPIXPASA-N 503.352 5.451 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38659935 AFGOSTMWQYQCBU-NDEPHWFRSA-N 500.551 5.030 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccccc1Br 38678521 VLXOTBJYXUWGAT-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1 38686377 LBHUGOXMJCATQT-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813495 FPZUCGPXQPBVTQ-UXHLAJHPSA-N 517.929 5.421 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 40999882 CFYCDPBOIHQSFU-FTFFFJSGSA-N 506.599 5.181 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 59245189 LLDDXDRCZZEIFJ-STZFKDTASA-N 517.810 7.380 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1 59484105 NAGWDYQKSQDLGM-XDHOZWIPSA-N 510.331 5.424 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100189729 CULBTARJOARDMJ-UHFFFAOYSA-N 532.262 5.801 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc2cc(Br)ccc2o1 100458646 PDYDQENYZHGQGR-IFRROFPPSA-N 516.971 5.190 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242329 WBGRNXXCVTZBQR-QAKHZNQRSA-N 528.417 5.338 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 101340238 JMWMMVWNULEWAW-TWKHWXDSSA-N 621.137 7.215 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380392 DXBNLRRYAHIGQS-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381728 USNGNQODUPNMCM-JGCGQSQUSA-N 524.576 6.856 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384227 JGUFYAWXESOLQA-PMERELPUSA-N 567.529 5.515 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386392 PGMSOXZSSCWGNZ-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101390693 HKBBGKYGVWTLGL-RUZDIDTESA-N 531.033 7.089 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393729 WJYMLVINEJKKDS-MHZLTWQESA-N 559.405 7.232 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101398884 WQYPNTJEHSVNIO-SSEXGKCCSA-N 611.437 7.116 50 10 KKGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101472832 XIWWIXWRPJGGQY-UHFFFAOYSA-N 578.460 5.360 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)c1nc(O)c2ccccc2n1 102510526 VKAOYDZOTGQMSM-ULJHMMPZSA-N 539.570 6.970 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 103741749 OWPOGTADXYYOTO-WGHBEHPSSA-N 577.287 6.092 50 10 KKGE O=C(N/N=C/c1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(Cl)cc1Cl 103748029 KEGNDBVQLZJCIB-IURWMYGYSA-N 548.304 7.630 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CCCC2 108330729 DMNQOWSJUIHYMA-FXBPSFAMSA-N 552.656 6.211 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 110558322 AXOBYQYLEXRBCY-ITZOTHCASA-N 611.724 5.282 50 10 KKGE COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 150593199 XWFNFULSTJQXBA-SOFYXZRVSA-N 636.362 5.917 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 150653815 BXXLNFMFHNMGSB-IHMSYIQPSA-N 656.527 6.492 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 164017533 ZOIKPSFKNQGAQW-NNLKUIAGSA-N 716.801 6.998 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O[Si](C)(C)C)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)C(F)(F)C(F)(F)C(F)(F)F 196176219 SKCZEAZINGMGHC-PTXJCGOLSA-N 540.592 7.501 50 10 KKGE COc1cccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2cccc(OC)c2)c1 196247489 RBCIQKMFKVTXJP-UHFFFAOYSA-N 516.644 7.008 50 10 KKGE O=C1/C(=C/c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCCCC3)o2)SC(=S)N1Cc1ccccc1 205209367 WKAHJMMQVBFERU-FSRJSHLRSA-N 646.798 6.686 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 206501729 SCDJCUSOBGHUFE-IZOTXVGBSA-N 506.599 5.323 50 10 KKGE CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 211643370 SZGZTKOCRREDQF-PKWREOPISA-N 539.496 5.333 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214272050 MREQXHRHNHRHNQ-YKQZZPSBSA-N 556.666 6.675 50 10 KKGE CCCOc1ccc([C@@H](Br)c2csc(I)c2)cc1Br 229007965 AWMPQMIOTGYEOW-CQSZACIVSA-N 516.036 6.388 50 10 KKGE BrCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1 232484759 RUUJIJOVWKSFCT-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE COc1c(Br)cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1Br 252628531 SSHKZMIMPSNHQA-DBVKHAOISA-N 634.756 5.861 50 10 KKGE COc1cc(C=NNC(=O)NN=Cc2cc(OC)c(OCCC(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCCC(C)C 254394866 VJZQQQXBJAPHSG-UHFFFAOYSA-N 588.618 5.037 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 254415682 XJOXSUNQDIVFGP-HKIOHLTISA-N 570.675 6.056 50 10 KKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)/C(=C\c3ccc4c(c3)OCO4)NC(=O)c3ccccc3)c2)cc1C 254488561 LJXNQBBYQKIGSQ-YFSYVNCISA-N 561.598 6.074 50 10 KKGE CCn1c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2c2cc(P(=O)(c3ccccc3)c3ccccc3)ccc21 642813764 TWIHPPIFVVOOMX-UHFFFAOYSA-N 595.619 7.093 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Br)cc([N+](=O)[O-])c2)C1 725438514 PGQKDFFQMAUZGI-QAPCUYQASA-N 545.171 5.145 50 10 KKGE COc1cc(OC)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1Br 1081168730 YGGZJLBJOKPFFJ-UHFFFAOYSA-N 516.779 5.136 50 10 KKGE COc1cccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)c1 1084093038 KESIILSXSJQBIO-UHFFFAOYSA-N 516.557 6.492 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 1084282586 MGHMGVZEWQSUKC-UHFFFAOYSA-N 536.028 5.947 50 10 KKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084404693 ATTZZRNNHIZGFE-UHFFFAOYSA-N 512.585 5.940 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084421750 OPFKOYSKKKZXGG-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1 1084554298 GZOMQYQUTZNILQ-WOJGMQOQSA-N 593.248 7.121 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653106 GLMBXHRSHPFDMP-SXCJYJNHSA-N 550.511 6.859 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747493 PDWCGWHACDHGSR-UHFFFAOYSA-N 519.417 5.171 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c(Br)c(C)c1Cl 1772756537 OBXBDPLNYBJADQ-UHFFFAOYSA-N 580.704 6.590 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OCC 1865686834 CBYYVDRHGXTBQH-JOCHJYFZSA-N 546.977 6.399 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865687077 JAMOULGJZQAXHW-XMMPIXPASA-N 550.512 5.895 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688436 RYRQVPNHOXFGIE-HKBQPEDESA-N 570.649 6.396 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690072 ICTORSJLBCPBHD-RUZDIDTESA-N 527.422 5.994 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703619 XGRWAJBRSKQUCM-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705870 HWWDAGYYDNRBIB-HHHXNRCGSA-N 575.496 6.915 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705880 IFEAWZBZKOQYJS-JOCHJYFZSA-N 534.359 5.981 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708576 BNNDMKSUSGSWED-JOCHJYFZSA-N 543.377 5.227 50 10 KKGE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711536 AVLPPHCRIGFQOG-MGBGTMOVSA-N 554.650 6.616 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712977 NLYDFOUUYOLCON-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE C[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040571 SPUFPDYAVFHSPY-AUUYWEPGSA-N 515.458 5.144 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868231468 HVJXQJWDSCWHPP-OAQYLSRUSA-N 508.489 6.891 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 1872755365 JXWDXPNBEDJVAO-VHBBHFJJSA-N 517.607 5.721 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 1899862327 UBFSDZCBVPRLGD-SFHVURJKSA-N 517.080 7.336 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cnsc1Br 1900449264 BYWNRFANOMRAGW-SCSAIBSYSA-N 531.314 6.630 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)c(Br)s1 1902795002 SNMFFEOYFHAMQA-LBPRGKRZSA-N 526.088 5.373 50 10 KKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915177040 QHUFEDPCHYOBAK-SFHVURJKSA-N 502.088 6.387 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1nscc1Br 1923048072 FFGHASOBZUJNFN-BYPYZUCNSA-N 531.314 6.630 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924601326 WYWRSWZVXIDCAK-SNVBAGLBSA-N 554.323 7.135 50 10 KKGE CC(C)(C)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924608620 KZARTBWKJNETPU-NSHDSACASA-N 545.960 7.817 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 1924613471 RUUVZCJQQNBDNI-ZCFIWIBFSA-N 517.853 6.907 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)cc(Br)c1 1925587042 GFFPAMTVPNNIQD-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Clc1sc([C@@H](Br)Cc2ccccc2I)cc1Br 1940445168 JUAFBMARPUZAPD-QMMMGPOBSA-N 506.428 6.447 50 10 KKGE Brc1cc([C@H](Br)Cc2ccccc2I)c(Br)s1 1940446428 ARWQNJNKEBCMTE-SECBINFHSA-N 550.879 6.556 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CC2 2025779602 JQUVDXFZKLUEPT-BLTYZCFWSA-N 508.273 6.817 50 10 KKGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)C(C#N)=Cc1ccc2c(c1)OCO2 2042451414 SYYJGEMJZYLOOB-UHFFFAOYSA-N 729.649 6.055 50 10 KKGE CCN(CC)c1ccc(C=C2CCC(C=NNC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 2053614803 LJZYUHILMGEOPH-BZYAAIOSSA-N 615.863 5.756 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2sc(Br)c(C)c2Br)n1 2060856391 RBKWDLAYGLPRQX-QMMMGPOBSA-N 521.898 6.045 50 10 KKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2085496915 YOYLOQCRJXZICG-RFSVNVOPSA-N 570.739 6.740 50 10 KKGE CC[C@@H](CC(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468438 JVUYAUAWYXRIKY-RTHLEPHNSA-N 540.359 8.089 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CCCCCC2)c1Br 2141471749 VPVQIWVCSKRRHD-GFCCVEGCSA-N 582.794 8.143 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)cc1F 2142286735 HJEROWYAGVHTLG-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1Cl 2203689959 ZCPRCJOPTQSSHL-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2203829792 LOKAUGSHSGLJOE-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2206394100 DTVSMQMCVWHYIE-MSSHPPKDSA-N 550.354 7.843 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206406038 UNZHIRSXAOEJQR-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE CC1(C)CCC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162230 UCYOZGPZDRNJPI-ZANVPECISA-N 554.342 7.364 50 10 KKGE Cc1nc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272725671 FBPWFOYKCMKODS-MRVPVSSYSA-N 540.847 6.502 50 10 KKGE COc1c(C)cc(C)cc1[C@H](Br)c1ccc(I)c(Br)c1 2295359147 CZQQVDNCFOFVNH-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE C[C@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2C(N)=O)C1 2296500373 MIXDNBVPUFKCTR-LBPRGKRZSA-N 510.959 5.339 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2296500514 UBSPASOOMNYXDH-UHFFFAOYSA-N 525.373 6.755 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCC(C)C 2296540353 XTJJEZBQEQYOFK-UHFFFAOYSA-N 546.092 7.264 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296644267 YDYXGQMPJQRNPF-QHCPKHFHSA-N 536.426 5.962 50 10 KKGE C=CCC(CBr)(CBr)Cc1ccc(I)c(Br)c1 2306199954 RRARFHJDVDIBCI-UHFFFAOYSA-N 536.871 5.949 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Br)cc1 2313570686 DBPYTOOAFORMLL-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314490407 YFWXCURGLIDYKA-UHFFFAOYSA-N 562.632 6.608 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634671 WTCGFWGBTISBGK-HHHXNRCGSA-N 537.399 6.238 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 2331432041 LXWFMAGRGBNFHQ-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCc1ccccc1 2331432148 VMXBWJMGKNEKKM-UHFFFAOYSA-N 517.448 7.614 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OC(=O)c4ccccc4)c(OC)c3)n2)cc1Cl 2331484701 MHLNOVZWZZVDRR-UHFFFAOYSA-N 502.979 6.764 50 10 KKGE CO[C@H]1C[C@@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)C(C)=CC=C[C@@H](OC)[C@@H](OC(=N)O)C(C)=C[C@@H](C)[C@H]1O)C2=O 2333223565 OAUJLFPWRFHSNE-ZLHMVBRTSA-O 891.079 7.320 50 10 KKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362221654 DJZYMQANNSFMJL-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364229275 XLWOTHVCRABTGZ-MRVPVSSYSA-N 552.286 5.854 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Cl)cccc1Cl 2365215330 IZCPFSYTCYPANO-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 1871420 QXQGODTUZFGHCV-JWGURIENSA-N 564.461 5.885 50 10 KKGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3ccccc32)[C@@H]1c1ccc(Br)cc1 2190315 UFTOXBOVKHWELB-OBDYRVMHSA-O 515.456 5.328 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccncc4)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 15773750 RLZIYVJOBXGXJW-FUGGPRTCSA-N 505.578 5.218 50 10 KKGE CC[C@H](Cl)C(=O)N1CCc2c([nH]c3ccc(OC)cc23)[C@@H]1c1ccc(-c2ccccc2C(F)(F)F)o1 25160615 XJKWMXUTCOLPKY-CPJSRVTESA-N 516.947 6.947 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1OCC(C)C 34988467 ISOXKDCBXBFJKD-XQNSMLJCSA-N 501.590 6.596 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 38658545 IIRUDGXDCOXPDO-HHHXNRCGSA-N 500.551 5.176 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 38686766 HRGQPBAZTRSZSZ-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 38687331 TWGBCVZTNHNAMH-RUZDIDTESA-N 500.938 6.149 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1F)CCC2 40812336 HTYZXDUOGONYHQ-KBVAKVRCSA-N 507.871 6.122 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826612 RQJJOXDUWHJLMG-AWSUPERCSA-N 513.594 6.001 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 58892037 UFRRMQNSKNVCTH-DVMDLWDRSA-N 527.448 6.273 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 97966573 NNXFYXBEKOYABQ-YALBQKEFSA-N 563.293 8.015 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)c(C)c2)cc1Br 100172617 IRAGWRKNVHLWEI-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)cc1CSc1nc2ccccc2o1 100185825 GBAVJIMSEMGDDM-HQDYHJHZSA-N 594.693 6.527 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212953 USIAEGVVHWGRQA-IBGZPJMESA-N 592.515 5.327 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(I)c2)cc1 100237783 JWBSQQNTHSUVEI-OXOGFPMKSA-N 572.443 5.541 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc(Br)cc1C(C)C 100287024 MIXYAQLWKGFOSI-UHFFFAOYSA-N 593.110 5.011 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 100452270 PQHMIMVSTWSLEQ-LKHJKXADSA-N 570.698 6.952 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869693 IZLHXHWRGFPSCA-XICOUIIWSA-N 575.621 6.301 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113180 DQYNRLQIGXFJND-AWSUPERCSA-N 559.420 6.261 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101337025 ZJXLKCXSBOCHKI-QVWXPNIWSA-N 550.659 5.654 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362591 BATAIIHKCKWGOB-HKBQPEDESA-N 553.014 6.430 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 101372305 ZDFQHMFDCGCDAM-YTTGMZPUSA-N 556.659 6.474 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 101373649 VPJGWRYAHABZRQ-NDEPHWFRSA-N 534.996 5.730 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382700 IDVXXAXNIRDNIB-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383480 DDODHGHUBYDYQW-NBLPZQPVSA-N 595.095 7.633 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384835 SVORKQQHHGOOPK-YVGXBJCXSA-N 605.449 7.303 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(F)cc1 101387014 BYRNLINAWAGJCW-LJAQVGFWSA-N 601.428 6.613 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387050 ZJCNQQPPWQQQPH-WJOKGBTCSA-N 621.448 6.923 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101389026 KGLXEYTWVNHAIJ-CGKQSPDFSA-N 598.602 6.534 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(C)cc4c3C)ccc21 101393675 TVBABBYIHZDMSQ-RUZDIDTESA-N 545.389 6.258 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)CC1 101398573 KVSYMQDBNMLGSB-IMLANLDWSA-N 571.117 8.039 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613717 GLZXICANTDFMRT-FEZSWGLMSA-N 541.007 5.454 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 102685558 CFWQBGRHNCWOSP-STZFKDTASA-N 536.407 5.205 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 102770809 SZYHYHXZJFIESH-AEPTXUNZSA-N 546.838 6.851 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 102932927 CCPSEIQDCKIULT-NDENLUEZSA-N 562.807 7.289 50 10 KKGE CCCCCCCCCCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OCCCCCCCCCC)cc2)o1 103127021 URBORYAYMWSVLN-QVTSOHHYSA-N 563.779 9.835 50 10 KKGE O=C(c1ccccc1)N1CCC[C@@](CCCI)(c2ccc(Cl)c(Cl)c2)C1 146063905 XFAAEZSRGNMTTA-OAQYLSRUSA-N 502.223 6.383 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1 150383009 LGDPMUDKLYTCJZ-ZZXJHYAVSA-N 690.319 6.592 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150429940 OXNQOBXWKMQFAV-LJFMQPAYSA-N 647.942 8.461 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150463035 SSOCUSWKEJCVBL-HKBQPEDESA-N 655.476 7.668 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl 164615554 ODVAOBFVRZCCNO-NNLKUIAGSA-N 638.993 8.940 50 10 KKGE Fc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1Br 236247970 ASPJUACRAMQBNS-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE CC(=NNC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br)c1cccs1 252637299 XRMYXUREDAQVMF-UHFFFAOYSA-N 544.353 6.906 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccc(F)cc1 254309342 NJLKFTBQADYQKR-UHFFFAOYSA-N 509.629 5.319 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2OC)cc1 254449636 QTTWLBMZQBKVTF-UHFFFAOYSA-N 552.627 6.289 50 10 KKGE CC(=NNC(=O)c1cc(Cl)cc(Cl)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254521203 GXIJKQWIJDCRDB-UHFFFAOYSA-N 518.216 5.919 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 254614640 RRHUZMACHTWJBF-UHFFFAOYSA-N 578.672 7.461 50 10 KKGE COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(OC)c1 254744683 SCJUATYQWTYOIL-UHFFFAOYSA-N 523.659 5.027 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 254876499 OLAGRHCVHOJHTF-UHFFFAOYSA-N 585.726 5.935 50 10 KKGE CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]21C 257157208 PODSSBXKTWSWQL-QJJZYPTOSA-N 510.923 10.360 50 10 KKGE Brc1cc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 306054537 QOUWKSXXHBUYGT-LLVKDONJSA-N 578.889 6.297 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@H]23)N(C)C1 504779005 QPYJMHIDEUSFNK-HTJUHASYSA-N 807.813 7.094 50 10 KKGE in-vitro Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)c2ccccc2F)cc1 725408779 ZYKFLTIAQPTTKI-UHFFFAOYSA-N 525.605 5.786 50 10 KKGE O=C(COc1ccc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 1083918132 AQNCZXVESUUEQJ-UHFFFAOYSA-N 625.534 5.034 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1083964224 HPEYXDBAWVTITA-UHFFFAOYSA-N 688.376 8.229 50 10 KKGE N#C/C(=C/c1cc(Br)cc(I)c1O)C(=O)Nc1cccc(Cl)c1Cl 1084071443 JVBFQIBKZNEIQX-WTKPLQERSA-N 537.966 5.612 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1C 1084091314 RAEUROZVTCZZNR-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084115629 UTCAFBJIWDTPPR-UHFFFAOYSA-N 661.611 7.569 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084210815 JYUKCLPHVZQVSG-UHFFFAOYSA-N 623.731 6.090 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084218956 MZBUMNCMNYRQBE-RUZDIDTESA-N 600.466 5.698 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084261894 TVPNOYITTJRVPT-GIJQJNRQSA-N 629.119 8.402 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084495563 SYWGRAGWEUULAE-MHZLTWQESA-N 524.448 6.359 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1084500077 YAUGGNMNKCEREP-ZRJNXXGPSA-N 611.661 5.137 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084515957 WTSVXCDQISNHKE-CIAFOILYSA-N 511.405 6.203 50 10 KKGE CCc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084559336 UUYGVRRSCDOATR-UHFFFAOYSA-N 500.646 7.187 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748654 ZYZKKEWIBFGUQN-LLVKDONJSA-N 551.434 5.698 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)CCCC(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1848435670 OWGWSEUEDPLMHW-GDMQNFRBSA-N 645.130 11.166 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 1865683440 DVGRZSSFXRQJJO-JOCHJYFZSA-N 517.814 6.232 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688264 OBWKSZZTBJCJTO-IBGZPJMESA-N 550.240 5.826 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688308 OZKIGSJVJSJXBR-NRFANRHFSA-N 543.849 5.622 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OCC 1865688396 RBHPUNIJOTYSOG-HHHXNRCGSA-N 500.643 5.906 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689002 HHQCQIPXCHNXGR-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865691740 ZXFIAKLWRHLKLZ-DEOSSOPVSA-N 557.448 6.317 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695872 UNLMFVXDLOMLRN-AREMUKBSSA-N 531.443 6.598 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696155 KLTDIVQDDMCKKR-MHZLTWQESA-N 521.621 6.120 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701397 URZMCUGTBLQSEY-MHZLTWQESA-N 579.915 7.641 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1865704111 NJXHJKJJIGFBPT-SANMLTNESA-N 533.415 6.293 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705447 WASDILGLMXQNOT-MHZLTWQESA-N 538.579 5.469 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131629 FORKJJKCFLGRTH-LFIBNONCSA-N 558.230 5.428 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866737388 UWZVQNVWEJJOGS-SXOMAYOGSA-N 573.740 5.972 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867184590 ZISAJUCUXWHLFQ-MUUNZHRXSA-N 524.646 6.385 50 10 KKGE CC(C)(C)c1ccc(CC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)cc1 1868207193 JDVWWOWCFDXTTK-UHFFFAOYSA-N 547.772 8.141 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(OC)c2)n1 1868387925 CQLUTYDYAXYQBL-PMERELPUSA-N 507.663 6.907 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)N(CC)CC)c(OCC)c3)n2)cc1 1872791115 WKJSEJZQYKXMBW-XQNSMLJCSA-N 519.667 6.309 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)cc1OC 1872794835 YZKXNHIHJQCRFQ-VCHYOVAHSA-N 513.457 7.060 50 10 KKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1O 1872794916 DHJWULZKGIOVFA-NTUHNPAUSA-N 503.374 5.377 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccoc2Br)c1 1899857544 QXURCRNGMBLRSK-KRWDZBQOSA-N 501.012 6.868 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(CCCBr)Cc2ccccc2)cc1Br 1914647579 FQQIEGADOFVESH-UHFFFAOYSA-N 540.115 5.496 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(S(C)(=O)=O)cc2)c1Br 1922886274 RRUWPSDJINCIGY-NSHDSACASA-N 503.075 5.469 50 10 KKGE Cn1nc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924568338 FIKPDAYACCMTRU-ZCFIWIBFSA-N 528.289 5.907 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(F)cc2Br)C1 2085375920 MKNVDMBTVGHFFK-SFHVURJKSA-N 528.200 5.310 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141472406 CZANJVIBQXKYPL-STQMWFEESA-N 584.766 6.989 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cccc(F)c1I 2145959891 ZROKPMGZNNULLA-CQSZACIVSA-N 513.970 5.994 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3ccccc3I)cc(Br)c2O1 2146628537 OLPBTLKFNZLRCT-VFZGTOFNSA-N 507.991 5.861 50 10 KKGE COCCOc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)cc1Br 2156305242 HRZHZJXPMDIWLO-OAQYLSRUSA-N 512.263 6.599 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2201879291 NECFWJVZCYUKMJ-RMUHFYJVSA-N 571.976 5.687 50 10 KKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206394480 HCQOCCCQXHZOJV-ZANVPECISA-N 598.837 8.635 50 10 KKGE Cc1c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)nn(C)c1Br 2206398264 SOORUMUMGKPAPE-SNVBAGLBSA-N 659.634 7.025 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccccc2I)s1 2224782541 NXHAXQYRHGRQAL-ZDUSSCGKSA-N 516.036 6.136 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)s1 2233019208 GZAGKVNCMAHUOP-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE COCC1(COC)C[C@H](Cl)[C@@H](c2sc(Br)c(Br)c2Br)C1 2238396165 WWPLGANBAWFAHA-YUMQZZPRSA-N 511.501 5.800 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277945928 ADZQVFPFOPUSOS-CYBMUJFWSA-N 562.840 6.634 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)c1 2296507254 ZYWGZBZDDRSFHH-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 2296736270 VIZGMKNHBIDKNE-UHFFFAOYSA-N 516.388 6.285 50 10 KKGE CCOc1c(I)cc(I)cc1C=C(C#N)c1nc2ccc(C)cc2[nH]1 2297320842 AMKDQQJTHQRFQZ-UHFFFAOYSA-N 555.157 5.543 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2297458657 QPAUPVFPBROVGY-QHCPKHFHSA-N 508.430 5.736 50 10 KKGE Cc1ccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)c4cccs4)CC3)N2c2ccc(C)cc2)cc1 2297486429 OHPPXZZTJPFHMN-UHFFFAOYSA-N 526.687 5.637 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1 2297708087 DAKHYWPYLPNRGG-UHFFFAOYSA-N 578.257 5.850 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCc2ccco2)c1 2314475671 AFKRSGHOGIOCKJ-UHFFFAOYSA-N 557.676 5.166 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 2314476012 HGJKUBJSEBHACY-PLQXJYEYSA-N 609.752 6.150 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 2314533545 RNWDFGPTJFEFBP-UHFFFAOYSA-N 511.752 5.993 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592035 KJUQDOQBFUMPAZ-VWLOTQADSA-N 552.483 6.766 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610511 IXTBAINTOPKQFC-NRFANRHFSA-N 508.622 6.109 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611298 SNXLHUYSSTZASB-RUZDIDTESA-N 625.795 6.132 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C(C)=C(C#N)C2=O)cc1 2314616596 FIGCRJLNULBAPT-UHFFFAOYSA-N 624.672 7.058 50 10 KKGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618324 LJNNSHKJDBXGJQ-UHFFFAOYSA-N 543.447 5.988 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314620819 VNPWIHNLWHBTTK-UHFFFAOYSA-N 651.119 5.944 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634448 TWHJDEDZKHYUIC-NDEPHWFRSA-N 549.410 6.404 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314640722 RIUPCWGYKZGPIJ-HKBQPEDESA-N 603.889 8.063 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 2314646974 XHSLINKMZHEOJX-PMERELPUSA-N 676.795 5.889 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC)c(OCc2ccccc2Cl)c1 2328795121 NROPOERNVMZVDJ-SBUREZEXSA-N 504.027 5.317 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCCCC2)c1Br 2332689339 ZSFRQCWZBSASCV-NGZCFLSTSA-N 535.965 7.688 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2C[C@@H]2CO1 2333303614 MAVGQFCSGXSSPT-HIVVXGBYSA-N 538.299 6.442 50 10 KKGE Clc1ccc(C[C@H](CBr)c2ccc(Br)cc2)cc1I 2337224787 DPGJTZPRWAZWNN-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(Br)sc2Br)c1 2341180276 MIDXGTYBIBVWLN-NSHDSACASA-N 507.900 7.649 50 10 KKGE Brc1cc(CC[C@@H](Br)CN2CCCCC2)ccc1I 2349847737 MENLSZOOQOQRHS-CYBMUJFWSA-N 501.044 5.236 50 10 KKGE Cc1cc(Cl)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 2353074695 SQKQHSOPXPZOHA-SNVBAGLBSA-N 528.318 7.979 50 10 KKGE COC1(C(F)(F)F)CC([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361199328 YHRPWCLWBTZHCT-PJOPYLDSSA-N 508.172 6.822 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35519741 ISKVQDMRHZOALA-NTEUORMPSA-N 506.893 5.378 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)ccc1Cl 38655949 CMCJEPLDEWMBEO-XMMPIXPASA-N 515.780 6.158 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)c(C)c2c1 38687880 MPMYMONINWTWAO-XMMPIXPASA-N 515.363 6.250 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 39858808 LRHXOGOHPOWZMY-AQTBWJFISA-N 519.388 6.265 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 39858847 RNWDFGPTJFEFBP-KAMYIIQDSA-N 511.752 5.993 50 10 KKGE CC[C@H](Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100137569 AEUAJKKLJOWETK-IBGZPJMESA-N 550.247 5.057 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 100236347 JCHMWQHTSOXMLH-KSWAXPHNSA-N 529.406 5.530 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245318 HJRBPGKIOJMYEU-KVILUOORSA-N 536.484 6.984 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101338106 COQVYINFPPRONM-WEMUVCOSSA-N 584.720 7.108 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101362113 QZLIOVYPGMUVPL-HHHXNRCGSA-N 539.415 6.375 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365189 UIIKJODVICQXKA-YSEPLRHASA-N 532.210 7.137 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCC(C)C 101374307 YLVWSPXGPDJABU-XDBZFTIUSA-N 532.568 5.460 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 101377995 PGTHNVIOIHUUNB-HKBQPEDESA-N 575.105 7.509 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(F)cc5)ccc43)c2)cc1 101382242 OWFRILDDUYNMIH-UKPGIYTDSA-N 550.586 6.304 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101389119 YZXISMARPKBFIJ-PMERELPUSA-N 571.004 6.894 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1Cl 101393659 UVTDLPTVZJTGQH-QHCPKHFHSA-N 541.785 5.557 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Oc1ccc(Br)c2cccnc12 101572286 NGXVZRKQKSXCLE-UHFFFAOYSA-N 541.409 5.437 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(/C#N)c4nc5ccccc5s4)cc3)cc2)C1 103465210 JZHXFMAWMIPFBY-PNWJNKHPSA-N 557.697 6.246 50 10 KKGE CCCCSc1nc(C)cc(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)n1 108128225 OEDCHVJNKDGSEV-ZVBGSRNCSA-N 548.326 5.150 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)sc2c1 150482944 RVDRECSXIJBZHC-LJAQVGFWSA-N 647.967 9.186 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 150484135 NZSJBOREHNWWBZ-HHHXNRCGSA-N 658.003 9.267 50 10 KKGE Cl[C@@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155254400 NYXRIHUUSDBFND-CHWSQXEVSA-N 628.457 6.209 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780867 CLEFZUVCBFIIGP-LMLUNKDASA-N 676.795 5.952 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)C)c(C)c1 207298011 IECXUWGLCPDPHC-KQWNVCNZSA-N 516.594 5.708 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 209398262 BZTKFTRPGIQSSQ-WSTOHFRZSA-N 505.552 5.763 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214387808 FXKZNORCFJOLDB-CAQPMQTCSA-N 638.655 6.779 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1 232343670 MGMGQFRDJHNYNK-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254293233 MPXYPZNBRLABOI-FVZXVYKPSA-N 604.574 6.871 50 10 KKGE C(=C(/N=C(c1ccccc1)N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 254372624 SYLVMIYJIQAHIC-PWENKUIGSA-N 553.666 6.758 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2)cc1 254405590 XIFVVSDLZZQFMW-UHFFFAOYSA-N 510.546 5.239 50 10 KKGE CC(C)(C)c1cc(CCC(=O)NN=Cc2ccccc2OCc2cccc3ccccc23)cc(C(C)(C)C)c1O 254799809 MMRVSBHFAHNBFQ-UHFFFAOYSA-N 536.716 7.802 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2Br)C1 382696476 SEHOHFWLFPYQAB-PBHICJAKSA-N 579.070 5.999 50 10 KKGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)c1Br 382697060 BJDWZHZEKCBLQE-AEFFLSMTSA-N 514.201 5.545 50 10 KKGE CCOC(C)(C)O/N=C1/[C@H](C)[C@H](O)[C@@](C)(O)[C@@H](CC)OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@@](C)(OC)C[C@H]1C 504483715 SFTHBPKNOPSKEE-UYJJZDNESA-N 993.479 7.734 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3ccc(I)c(Br)c3)ccc2N1 721570806 BDEIBDQQVVZUGO-OAHLLOKOSA-N 506.963 5.033 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817662 WUWBJKZWDLYUSB-OFEGBEERSA-N 684.943 5.808 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1083977663 VGPYRSZIXPJKKK-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc([N+](=O)[O-])cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1083996689 JCKXKRDYTOGGDH-FSGGQHMVSA-N 572.687 6.212 50 10 KKGE CCOc1cc(C=NNC(=O)CSCc2ccccc2Br)ccc1OCc1cccc(Cl)c1 1084042263 CAJNQPLZODPLPK-UHFFFAOYSA-N 547.902 6.464 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)c1C#N 1084051097 AEPMJFSOUCGXNK-UHFFFAOYSA-N 713.754 5.545 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(F)c1 1084164864 OMYVQRFBHOPCJA-QHCPKHFHSA-N 576.406 5.372 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084164882 WMDFRLQTHMOLAW-QHCPKHFHSA-N 627.306 6.540 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084298912 BBTARZUEPOMJFS-PCLIKHOPSA-N 597.456 6.771 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)c1 1084565949 QXDVUQZZSARXOT-UHFFFAOYSA-N 514.651 5.133 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084598503 MOXHVTGTXDOTNL-OVCLIPMQSA-N 706.987 8.248 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084608147 BPJNYCKTRPCHAP-VWLOTQADSA-N 541.873 6.374 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685082 FCXSBRAQDWGNFV-JOCHJYFZSA-N 542.253 7.430 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1865686701 YSEBGQYWYJMVDJ-OAQYLSRUSA-N 525.798 6.916 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695327 NRGKTMJZWDUXSK-PMERELPUSA-N 534.660 6.307 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695586 QDDHXLRMHACERX-AREMUKBSSA-N 565.888 7.251 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCCCc1ccccc1 1865695959 AUCDYOMFWSWYEQ-NDEPHWFRSA-N 527.024 6.073 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696152 XQJDIWTURHATDM-AREMUKBSSA-N 517.416 6.344 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865696228 KWZNZKYZJNFDBB-JOCHJYFZSA-N 512.532 5.746 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700666 AOADNQJIDQYKCU-AREMUKBSSA-N 535.406 6.483 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701151 NNMPYFMPSDCLGE-SANMLTNESA-N 565.888 7.251 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701500 WYKDGHNXRQPSTL-MUUNZHRXSA-N 559.041 6.482 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704705 CEUCPTXADCPMPI-QFIPXVFZSA-N 550.924 6.041 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705678 BSGIMOVCPHPVNC-MUUNZHRXSA-N 520.633 5.916 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708106 OHAOFKJBNMMCCO-AREMUKBSSA-N 508.578 5.151 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2cccc(Br)c2)c2nccs2)cc1 1867036632 NNIGLXLWFAARFL-RPBOFIJWSA-N 591.556 6.367 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc(C3CC3)n2n1 1867187581 WGVFWTWILFWXFC-SANMLTNESA-N 524.650 5.587 50 10 KKGE CCOc1ccc([C@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867205790 GTSBYBRQWVUDJO-RUZDIDTESA-N 522.070 6.367 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n1)CC2 1868231312 BYSBVBKGRPHFHG-HHHXNRCGSA-N 503.672 6.694 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CCO2)cc1 1868505985 OVPXTARFXRPVRO-MHZLTWQESA-N 523.662 6.609 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872745060 VAMLMQDUCJFBAK-KOAPHTDDSA-N 508.043 6.660 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753029 DPHFIFBZDRBWTI-ZZEZOPTASA-N 512.360 5.581 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1C 1872753885 RPEDYWPNAWFVHK-CHOFAJOMSA-N 519.848 7.112 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 1873795347 ZFAKZTZESNUBRW-BXPUGBIQSA-N 508.446 5.962 50 10 KKGE CC(C)(C)c1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071727 KPCRDULPLPCTFG-LLVKDONJSA-N 501.509 7.708 50 10 KKGE O=C(N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2080748300 WVVZDTNGVRESKN-YTTGMZPUSA-N 621.561 8.995 50 10 KKGE CC1(C)C[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495890 SRQYBQQHLQQTCQ-MUWHJKNJSA-N 524.316 7.453 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1scc(Br)c1Br 2089724345 BLURYNNUBDYWOR-NSHDSACASA-N 533.905 6.837 50 10 KKGE CCOC1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472954 JQTWSTLPQMCYIY-OGIFLDNPSA-N 584.766 6.988 50 10 KKGE Cc1ccc(Cl)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206402141 PEYBXIGAERIGEX-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2sccc2I)c(Cl)c1Cl 2217612460 FDWXEQXNCWCHEU-SNVBAGLBSA-N 516.840 7.404 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2225615122 CWQLFAASFWPDMH-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2231810257 FTIASXRUGWGYDG-BYHIOWSSSA-N 551.842 6.439 50 10 KKGE C[C@@H]1CCN(Cc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234059004 HNTZNBYQFXNHNH-JLTOFOAXSA-N 511.689 6.383 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248257083 GMPDQPNFBGRTQL-GOSISDBHSA-N 520.636 6.007 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(Br)cc1F)C(=O)OC(C)(C)C 2255268593 JKGJKDUIXOUFTF-GOSISDBHSA-N 530.216 5.556 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1csc2c(Br)cccc12 2264607505 MZVNHLWBQMVIRS-SNVBAGLBSA-N 501.490 7.626 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)cc1Br 2267979831 NDSUPMXDINCXCD-ZDUSSCGKSA-N 532.295 7.420 50 10 KKGE COc1c([C@H](Br)c2sccc2I)cc(Br)c(C)c1C 2269161681 ICCMEYDHVJXGKD-LBPRGKRZSA-N 516.036 6.225 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCCC[C@H]2CC3)c1Br 2288987778 BZTVKUOJFYCLLG-UFTIBIJLSA-N 594.805 8.143 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1 2293198461 VCMASWYHQPTIAR-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1ccc2ccccc2c1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2295956242 LZUPRBQLBPIWNV-WJOKGBTCSA-N 630.169 8.387 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296544522 VMHANCOMJPBBIJ-UHFFFAOYSA-N 534.037 6.085 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458531 FTQZQSYQRDEREN-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Br)cc2)cc1 2297458561 CMSCCVIJNXGPJY-DEOSSOPVSA-N 532.463 6.131 50 10 KKGE Cc1ccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2cccc(Cl)c2)cc1 2297486426 LWOPLAUVBQWKNI-UHFFFAOYSA-N 521.086 5.652 50 10 KKGE CC1(C)CC[C@H]2C3=C(CC[C@@]2(C(=O)O)C1)[C@]1(C)CC[C@H]2[C@](C)(C(=O)O)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1C[C@@H]3CCl 2297730406 LXPHJCKVZSPBSG-MYLFLSLOSA-N 537.137 5.488 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1Cl 2313521558 WVNHSFLRVGQPID-UHFFFAOYSA-N 539.857 7.243 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 2313553177 PAGDCHPOKXVUPJ-UHFFFAOYSA-N 653.314 7.730 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1 2313571577 ZKYMUWJVJGJWFV-UHFFFAOYSA-N 621.156 8.372 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314453638 YFEPDOYPXUQMRL-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592725 APHDCEZYZNWDHD-CJAUYULYSA-N 566.510 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314616535 CYDFIUCDLQTSCN-UHFFFAOYSA-N 608.673 7.092 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 2314616557 DMQCSIGDWUBHJJ-UHFFFAOYSA-N 609.082 6.053 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCCC[C@H]1I 2319215416 YNMBQOSRPTWZJA-KGLIPLIRSA-N 535.001 5.707 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2331344859 SZKPKLPTFJNBON-UHFFFAOYSA-N 508.640 7.135 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)cc1C(C)C 2331353940 PPNMQUPNSQPRQL-UHFFFAOYSA-N 506.624 6.782 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2333277769 HAYVDHBKYABBBI-RKVRAFBSSA-N 645.174 11.764 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)cc1Br 2338859453 GLDMDOBCBQOUFV-SNVBAGLBSA-N 536.287 6.107 50 10 KKGE C[C@H]1CCC[C@](CBr)(OCc2cc(I)ccc2Br)C1 2341857782 WINIFDVQMFDSTF-NHYWBVRUSA-N 502.028 5.914 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1csc(I)c1 2352802559 RVRMMLWGXSTMMT-HNNXBMFYSA-N 514.064 7.031 50 10 KKGE Cc1cccc(C(O)(C(=O)NN(C(=O)c2ccccc2C(=O)Oc2ccccc2)c2ccccc2)c2cccc(C)c2)c1 1921341 SHPNCZPESXRCDL-UHFFFAOYSA-N 570.645 6.137 50 10 KKGE COc1cc(/C=N/NC(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 33355956 PEIHTLGAKJSSPM-DPWJMMOYSA-N 617.287 6.083 50 10 KKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccc(OC(F)F)cc1 33725384 JBTRUMZNDUORGH-VYBCSWDBSA-N 522.508 5.048 50 10 KKGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2cccc3ccccc32)[C@@H]1c1ccc(Br)cc1 36020194 UFTOXBOVKHWELB-SLQPCKNISA-O 515.456 5.328 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651543 RXCMDGWHNHNIKA-IVCQMTBJSA-N 519.395 5.603 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 38660021 KLANYMKFKUYYRC-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 38681159 UFHQXQDXGOMXSS-LJAQVGFWSA-N 512.562 5.025 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCCC(C)C 38684333 HVYCOPCDIHWCIY-LJAQVGFWSA-N 512.606 6.256 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12 58892537 BDZFQDZFACOEDA-HGNFKBFPSA-N 517.423 6.145 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCNC(=O)c3ccccc3Cl)cc2)cc1OC 100869897 MDNLMRQSQGTLFK-BIZUNTBRSA-N 552.027 5.017 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 100883616 HRDZOGCMAGLPMT-GTWSWNCMSA-N 531.637 6.765 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245638 QUMSLKHILHXOGP-NLTRVXJZSA-N 537.563 6.087 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 101245843 CPFDRSSXPDSYNF-VWOOYDPRSA-N 536.484 6.984 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101332810 IDMTVOQWWBJGCR-MTDXEUNCSA-N 563.057 6.774 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101333098 CPOKWJWBZZLEKX-LNVYCVNDSA-N 597.741 5.352 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 101335963 RICJYYQWOSUDKE-NLRVBDNBSA-N 524.621 5.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 101370885 WAJGDFNCVLHHHO-JOCHJYFZSA-N 536.198 6.503 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 101372111 SXIUCEJQERJXHJ-WJOKGBTCSA-N 542.632 6.165 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379062 KMXSSEJWTACNAK-LDZJGQMDSA-N 569.444 7.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388650 XLBLAXYCJOCWAN-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)oc2cc(Br)ccc12 101392006 MZIKUXCKRSQHNU-QHCPKHFHSA-N 570.226 7.248 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101397781 GAMJHDBLWBDIGP-NDEPHWFRSA-N 591.422 7.157 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399117 KQTGDMHNPMAFGK-MGBGTMOVSA-N 586.644 7.383 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601823 ABUHXIOGAHGENG-LQKURTRISA-N 531.352 5.534 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OCc1ccc(Br)cc1 102932956 FVAGXQORVGKKGY-GZTJUZNOSA-N 565.773 7.255 50 10 KKGE O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 105067705 BXKRYPQUSPYXFQ-VVEOGCPPSA-N 571.262 5.489 50 10 KKGE Brc1cc([C@@H](Br)c2cccc(I)c2)c(Br)s1 109312396 KZMRETSTWYBCNT-JTQLQIEISA-N 536.852 6.362 50 10 KKGE C[C@]1(OP(=O)(O)O)CC[C@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@H]3CC[C@@]21C 110426161 JZYUPBDPZIYWAK-LBQHQWNISA-N 534.417 5.689 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150471089 PTIICWWTQSTIBP-NDEPHWFRSA-N 622.302 7.772 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 150486240 PXDGKCUBRAURNZ-WJOKGBTCSA-N 645.550 8.299 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c1 159838309 ROSXGTCUHHVQGP-CYBMUJFWSA-N 551.820 7.477 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C2=O)cc1OC 214368323 WSDVNSJJWBEKNI-CEUNXORHSA-N 586.692 6.317 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C2=O)cc1 214396158 IQGLVBPNEDFARO-AILRPVNASA-N 570.649 5.972 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214400382 YYBNHOIDSDEFBQ-YQYKVWLJSA-N 572.665 6.172 50 10 KKGE Fc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(F)cc1Br 236228059 SSIPJROIPVIASV-ZDUSSCGKSA-N 522.352 6.423 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](C)I)CC[C@]4(C)[C@@H]3CC[C@]12C 251422098 QAKZCDKFOJOVRK-FRTBYOJTSA-N 568.624 8.763 50 10 KKGE biogenic COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC 254375923 KFFMMXHTWRPFQW-UHFFFAOYSA-N 519.605 5.728 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1OC 254742376 WSOZUVCFHTVSTO-CCEPJOJJSA-N 554.559 5.102 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)sc2c1CC[C@H](C)C2 254762493 BMZCZNWYOMTJOS-IBGZPJMESA-N 621.712 5.155 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 254817267 YFEHCZIWXZKUBC-UHFFFAOYSA-N 550.784 9.016 50 10 KKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OC(=O)c1ccc(OC)cc1 254875065 VSFPHXNSPXAGTA-AQTBWJFISA-N 535.350 5.009 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1OC 705465734 RECDWADPHFSIDF-LLVKDONJSA-N 505.453 6.428 50 10 KKGE COc1ccc(CC(=O)N[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)C(=O)NCc2ccccc2)cc1 725238115 LERDNUHEBDLPLP-NDEPHWFRSA-N 532.757 5.666 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CSc3nc4ccc(OCC)cc4s3)o2)cc1 725274255 IPIRVJVLBIOZTQ-UHFFFAOYSA-N 509.609 5.374 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725389199 QDIVMGHQBZALPY-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 725425978 BGAXCKPHYALGAJ-UHFFFAOYSA-N 594.734 5.699 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1 1083956047 OEAZZVFZMUEQLL-UHFFFAOYSA-N 636.542 7.987 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(C)cc1 1083980136 PFHFWYNIGHIXJP-XHLNEMQHSA-N 521.661 5.957 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccccc2Cl)c1C 1084011178 LKZXIHNLCVLXBW-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084182322 KPHZJIVJMGOTKD-CXUHLZMHSA-N 547.192 6.789 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 1084339420 YTCKWPXKMBXIPT-SFHVURJKSA-N 506.740 5.235 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4cc(C)cc(C)c4)c3C)sc3c2CCCC3)cc1 1084552361 QKOILCUEHXNUDV-UHFFFAOYSA-N 553.732 7.368 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084592663 KWBVPGOKSPTIQO-MOADCYBESA-N 554.312 7.010 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084626959 NEPIYITXBAYXJS-JOCHJYFZSA-N 521.828 6.198 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653178 PHNNLZAEMWVCRT-VXFDCLNWSA-N 501.583 5.138 50 10 KKGE Cc1ccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)cc1 1772745256 WCTBEIYERBYKHF-UHFFFAOYSA-N 503.908 6.291 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)cc(Br)c1OCc1ccccc1 1772753884 DQXZTXWRDLPJCD-UHFFFAOYSA-N 562.258 5.637 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685483 JNRLSZLOGLYIME-OAQYLSRUSA-N 541.797 6.865 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865692658 DOKFWOVJRKDAPN-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701135 MQJVREBDMRORQK-SFHVURJKSA-N 564.665 5.596 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865702227 PTZWFSPVZIHMRI-MRXNPFEDSA-N 509.257 5.019 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865702757 DPJPRRXSIJJOPF-NDEPHWFRSA-N 562.029 6.393 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703119 NGKFFINWFVGCDY-YTTGMZPUSA-N 562.714 7.005 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712263 UKAOSNFLITVNBZ-QHCPKHFHSA-N 502.496 5.997 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Br)cc1 1865713991 AIMSHIMLVKHNDJ-MRXNPFEDSA-N 509.713 5.584 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Br)cc1 1865714409 JPYZOXKITLURDK-VWLOTQADSA-N 519.402 6.673 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866975934 VQPFOAHBZKERRA-JWQCQUIFSA-N 552.494 5.834 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Br 1867212168 VPRPVYAZIBWVOZ-BVAGGSTKSA-N 566.521 6.657 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2Cc3cc(OC)c(OC)cc3C3(CCCCC3)C2)n1 1868253921 YFFBAIQTJHASFO-UHFFFAOYSA-N 545.709 6.222 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(Br)c1 1872753374 ULCNPXJXAMSMFD-NKFKGCMQSA-N 508.441 7.268 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)\c2ccccc2)cc1 1872758966 YRBVFFLZHZOFJP-CZWDYVQBSA-N 516.622 8.014 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c(OC)c1OC 1872759143 FWZKCTKIRCOMHL-XDOYNYLZSA-N 507.612 5.619 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)cc(Br)c1 1923054536 GVCDBYKWJAHDKU-MRVPVSSYSA-N 558.742 7.780 50 10 KKGE CC(C)c1cc(CN(CC(=O)Nc2ccc(N=Nc3ccc(NC(=O)CCSS(C)(=O)=O)cc3)cc2)C(=O)OC(C)(C)C)cc(C(C)C)c1O 2070217876 PSZOKXMYPFEMOB-UHFFFAOYSA-N 725.934 8.452 50 10 KKGE C[C@@H]1CCCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469264 UFIVECUAMZEABZ-CYVIZDSUSA-N 538.343 7.843 50 10 KKGE Clc1cc(C[C@H](CBr)c2ccc(Br)cc2)ccc1I 2142940721 PQWFMAPLMABGCZ-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)Cc1ccccc1I 2143868055 JSWUNWKJAJYYBE-CQSZACIVSA-N 510.007 6.049 50 10 KKGE CCn1ncc(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396596 YRURXDXDQKYNIQ-LLVKDONJSA-N 615.183 7.044 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)c(Br)s1 2213637130 RQCDFICNCQVKQR-SECBINFHSA-N 523.935 7.198 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)cc2)c(C)c1Cl 2224317070 KJWHYHLWEMHKDA-CQSZACIVSA-N 514.426 6.808 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1C 2225615855 MFBPVBXUNREPSB-GFCCVEGCSA-N 535.896 7.276 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC2(CC(F)(F)C2)C1 2239247511 HJQBQYYTXBBSLH-QMMMGPOBSA-N 513.467 7.578 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2268270854 VESNYNJGVNUVBF-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE CCc1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)s1 2277953578 AOLQWWHOLKSWAM-JTQLQIEISA-N 532.921 6.672 50 10 KKGE Clc1ccc([C@H](Br)c2cc3sc(Br)cc3s2)cc1Br 2278100981 MBGRSDZNTPVDAC-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(F)c(Br)cc2Cl)c1Br 2282907199 LPUHOHWFWDMKJN-CQSZACIVSA-N 505.834 7.403 50 10 KKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Cl)c1OC 2283449449 RZFJQVMDXQGKCO-JTQLQIEISA-N 505.453 6.428 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295277286 PBWQUYSYUUERRP-GFCCVEGCSA-N 505.834 7.289 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296506731 CEDKVQLAPZBVFF-DEOSSOPVSA-N 576.472 5.691 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=Cc1cccs1)NC(=O)c1ccccc1 2296645882 VOCOSBKGRYBQDJ-UHFFFAOYSA-N 574.456 5.651 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297642430 DSFGYHDOOABSRG-AZBDCHATSA-N 672.222 5.917 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521533 VASBYXXRNVONQO-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)nc2ccccc21 2314414648 HRFDXXCPXNXFOD-UHFFFAOYSA-N 525.587 7.208 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2cccs2)cc1 2314432588 CZZDJMKHQKSLPW-UHFFFAOYSA-N 572.693 6.404 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591745 CPVJJGKXBBEEGM-RUZDIDTESA-N 568.482 6.466 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593474 NLNKBJGXFOIJJU-CRICUBBOSA-N 552.483 6.306 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594017 XOPFJCDKRCXQHV-AREMUKBSSA-N 515.635 5.544 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314620031 JMWMMVWNULEWAW-UHFFFAOYSA-N 621.137 7.215 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 2314634013 BQBAGDYGFLGBNE-HHHXNRCGSA-N 529.434 6.584 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 2314640715 PZLHIQXMBPABCP-WJOKGBTCSA-N 587.434 7.548 50 10 KKGE N#CSc1ccc(NC(=O)c2ccnc(NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)c2)cc1 2318778585 NZAWWFZYEICWEE-UHFFFAOYSA-N 506.587 6.138 50 10 KKGE CCC(=CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321386460 ZOVUUUMLRZEAMZ-RUZDIDTESA-N 564.505 6.190 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336078386 BALBUOVUJABESU-NRFANRHFSA-N 515.072 8.081 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)ncn2C)c1Br 2337316643 GCJSUDYRXNQMAW-NSHDSACASA-N 515.869 5.809 50 10 KKGE CS(=O)(=O)c1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361177582 KJOFMMSPMATMEA-NRFANRHFSA-N 510.247 5.916 50 10 KKGE Fc1ccc([C@@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377595944 RJATWAZYUVMZNY-OAHLLOKOSA-N 560.970 5.886 50 10 KKGE O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 3084641 IBAZMXSOAWBFAF-FDAWAROLSA-N 568.482 5.918 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38659884 RMHNVSOTTSMYAK-AREMUKBSSA-N 520.969 5.177 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 38688730 HOEHNRKOIJVUTI-MHZLTWQESA-N 510.546 5.894 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)cc1 40812210 XBKAJSFBHAYSIX-QUPMIFSKSA-N 504.543 5.398 50 10 KKGE O=C(N/N=C(/CCCCl)c1ccc(Br)cc1)[C@@H](Sc1ccccc1)c1ccccc1 58978862 SVZLEOGTSMZJPV-QPQZTTLASA-N 501.877 6.822 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 59152417 YAVHUUMDDWVDAT-JSLDZMDGSA-N 530.672 6.583 50 10 KKGE C=CCOc1c(CC=C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 59679976 GUYLCNJYBPVDHT-STKMKYKTSA-N 505.618 6.519 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 100145636 LAZWXPWFMQHOBQ-HMKSMXSGSA-N 558.638 5.828 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 100231933 QKBVSKMKYLXIDQ-XZJBEKIMSA-N 590.312 6.153 50 10 KKGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100258714 UPEMWTLIRJLBAE-LJQANCHMSA-N 546.693 5.363 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 101286687 QGILRLMPDCMVLP-RDRPBHBLSA-N 575.068 6.858 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101338116 BGNMIRIGJAQFPN-ZTKZIYFRSA-N 574.656 6.692 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101338149 UJXCVTRMMZJGLQ-PPOKSSTKSA-N 625.128 7.607 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1OC 101339298 ZDCONLYBIDAXOH-XSFVSMFZSA-N 537.399 6.106 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101368184 BCCMSEDFCRSNPS-GDLZYMKVSA-N 549.023 6.120 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101372141 AQHMWHYFQKFJDN-MUUNZHRXSA-N 543.576 6.000 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1 101377796 DNJQZSMMYOGILO-MUUNZHRXSA-N 527.577 6.381 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379220 RACKHGGXZJPTLF-UMSFTDKQSA-N 573.048 7.438 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380730 QUSMWWZBJVIELD-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(C)cc1 101385297 UASIJYNOENSJBQ-JGCGQSQUSA-N 608.647 6.046 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386186 BPKBNWCVIUBAKW-HKBQPEDESA-N 629.065 6.391 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)oc2cc(Br)ccc12 101391380 LWYBEYLUVFJQAV-HSZRJFAPSA-N 580.232 6.704 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)cc1Cl 101392754 QAQOHUIJFIFUNX-HHHXNRCGSA-N 583.468 7.017 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 101397663 QXSZKJCTPCJAMT-MUUNZHRXSA-N 607.877 7.672 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101398873 NEOLOCNVRTYZQT-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)N/N=C(/C)c3ccccc3F)cc2)cc1 102832626 ORQDJNZTNPLNSR-JDCMOKTRSA-N 545.636 5.379 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 103101944 ODMWGIGFRIUQDD-IVYNLYIOSA-N 546.838 6.851 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(CCN3CCCCC3)c3ccccc32)cc1 103737682 AVHSVGCJAYXRSW-KKYHWDRJSA-N 532.729 6.173 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 150434073 DBPIXZRGTAVZRF-UHFFFAOYSA-N 619.919 5.195 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 150480530 UAWSTBVXYLSBHY-DEOSSOPVSA-N 694.757 8.874 50 10 KKGE C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)(C)O[Si](C)(C)C(C)(C)C 198071087 NHCAHEFPDDXPRN-UIWPBTSBSA-N 526.922 9.785 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(Cl)c1 236061990 KSCQPJRFTAQYDF-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1cc(Cl)cc(Br)c1O 254446265 YYNTUKZZVKACAK-UHFFFAOYSA-N 571.284 5.060 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nnc2-c2ccccc2)cc1 254514060 LMIWHVNXERQLAG-UHFFFAOYSA-N 535.629 5.978 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1cc([N+](=O)[O-])ccc1O 254697155 KUBQZNKZPHHNEP-UHFFFAOYSA-N 504.546 6.130 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 254701819 VPHUIUSYIJSCBI-WXJHAEAUSA-N 588.708 6.191 50 10 KKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1 254740529 ACZHIVYCOBSDFS-UHFFFAOYSA-N 642.731 7.427 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 721617127 VSQNNPGRTMYNGQ-LBPRGKRZSA-N 580.905 6.508 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(Cl)cc2C)cc1 1084590124 ASSVTPCNSQKMEB-UHFFFAOYSA-N 577.150 6.327 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(Cl)ccc5C)c(C)c43)coc2c1 1772751451 CFLZNSARPZHCPX-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)Cc3coc5c(C)c(C)ccc35)CCC4)ccc21 1772751763 LVHUULDBUOQXMA-UHFFFAOYSA-N 586.692 7.730 50 10 KKGE CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(C(=O)CBr)c(O)c1 1848350912 LWVGQSVKIZKNPI-UHFFFAOYSA-N 515.244 6.027 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686757 ZTYLAIXMGSMHPK-QFIPXVFZSA-N 572.279 7.439 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688390 QYGPVHMVEQBEAT-KRWDZBQOSA-N 569.765 5.689 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Br)c1O 1865689399 RFDYZWVFVGPTRN-QFIPXVFZSA-N 503.356 5.029 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865691217 MVZKDUCGNPZWQO-QHCPKHFHSA-N 545.522 6.440 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865691554 VKPXLXSORYUTCP-NRFANRHFSA-N 564.267 6.266 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865694536 WWDIQGTZFDYIBR-AREMUKBSSA-N 545.014 6.406 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865697011 NFDCAFBPXYWBKF-LJAQVGFWSA-N 534.660 6.621 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700790 DLLXYMLAHBOQLP-AREMUKBSSA-N 531.443 6.598 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865704145 OKXWVJDWJADXJN-SANMLTNESA-N 561.469 7.073 50 10 KKGE O=C(NCCCBr)[C@@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905827 KISJNMZQMWFJSD-LLVKDONJSA-N 918.871 5.214 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2csc(-c3ccncc3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867055997 IMJZDMMXTPDVAQ-AREMUKBSSA-N 571.684 5.002 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867142672 GPAUNMALEPAVLB-IZZNHLLZSA-N 550.522 6.858 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415579 ZLRNIUZYPBCFLN-DEOSSOPVSA-N 552.025 8.474 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CC2)c1 1868506373 WEMDWVNVMWHRMF-UHFFFAOYSA-N 537.689 7.079 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@@H](c4ccc(F)cc4)C3)n2)cc1 1868527722 GZMXVZAYVQVKGD-HHHXNRCGSA-N 540.668 6.491 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 1872744105 GXNZNLHQSSDDGD-QOCHGBHMSA-N 518.551 5.376 50 10 KKGE CN(Cc1c(Br)cccc1Br)C[C@H](Br)COCc1ccccc1 1916344237 ZCXYTBJVUVTKOD-HNNXBMFYSA-N 506.076 5.624 50 10 KKGE O=S1(=O)CCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609212 UDRGGDHSYBWHCU-UJURSFKZSA-N 531.911 5.049 50 10 KKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CCO1 2011643457 DKYDXPXAQYDXBT-CHKWXVPMSA-N 511.899 6.287 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1scc(Br)c1Br 2036581191 YUIZUJKOTCCSFQ-SECBINFHSA-N 542.287 7.312 50 10 KKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2059265289 SIDZJDXAKWILMN-UHFFFAOYSA-N 511.301 5.021 50 10 KKGE Fc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1Br 2083332792 CVJWIMJKMCLVDD-GFCCVEGCSA-N 501.813 6.598 50 10 KKGE FC(F)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085493504 CKHRTVJZUDSMGO-SECBINFHSA-N 576.693 7.218 50 10 KKGE Cc1cscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494057 JXGCKJKXVYVRDM-JTQLQIEISA-N 582.775 7.591 50 10 KKGE CCS(=O)(=O)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500897 SLXAZUYZCFUSAG-SSDOTTSWSA-N 592.767 5.607 50 10 KKGE C[C@H]1CN(c2c(CBr)ccc(Br)c2Cl)[C@H](C)[C@H](C)N1Cc1ccccc1 2098108040 AQSYDAUXSRWWBZ-HRCADAONSA-N 500.706 6.485 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H](C)O1 2141471654 UTAHASODWJAADE-FHZUQPTBSA-N 584.766 6.986 50 10 KKGE COc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397221 GTBLMZYXHBNHFD-GFCCVEGCSA-N 592.745 7.230 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2240999957 DXGSIMJQPZIFHI-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2csnc2Br)c1 2252829853 ARADYEXVHDIWLL-JTQLQIEISA-N 504.867 6.109 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(Br)c1Cl 2268268752 UTMQHHRFNVGKBJ-VIFPVBQESA-N 554.323 7.182 50 10 KKGE COc1ccc([C@H](Br)c2cc(C)ccc2I)cc1I 2269554870 UPXIUYWFRUZCDC-HNNXBMFYSA-N 542.980 5.697 50 10 KKGE FC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)s1 2277709526 ZCRKZSWKXCEXAL-ZETCQYMHSA-N 519.427 7.444 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2c(F)cccc2I)cc1Br 2282786536 GZXJKKULUDWIKR-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1Cl 2294619888 HUXCMLRMAQLHEZ-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE Fc1cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Br 2295343410 VRDPEINJPAUZNX-GFCCVEGCSA-N 505.834 7.289 50 10 KKGE COc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296507066 RKNXPYICICBYNB-QHCPKHFHSA-N 534.435 5.523 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2296544496 PIDFSZUDRBLIAQ-UHFFFAOYSA-N 536.407 5.205 50 10 KKGE COc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2OC)c(OC)c1OC 2297110527 IUEXOXZVBXMOFN-QHCPKHFHSA-N 520.582 5.067 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2297456862 GFUQBYFPLGYBAN-JOCHJYFZSA-N 512.393 6.197 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=C(C#N)C(=O)Nc3ccc(F)cc3)o2)cc1 2297533931 BTKCSJGODMJUKX-UHFFFAOYSA-N 598.483 6.971 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 2297551567 RWVUVCLAXFPDIP-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313681170 PVMQVLQCDNLYIW-UHFFFAOYSA-N 546.248 6.567 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2314486510 DFHAGDBAFLLFCA-UHFFFAOYSA-N 607.489 7.604 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592594 YHTBGUMOZQHVKL-VWLOTQADSA-N 535.591 6.696 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593137 HZLABPFQGLRZFV-IBVKSMDESA-N 560.517 6.370 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C(C)=C(C#N)C2=O)cc1OC 2314616590 FFRUGQIRWPZRLB-UHFFFAOYSA-N 594.671 6.545 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314751074 NOCLMBPPEDPHLO-IBGZPJMESA-N 508.530 5.195 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C)c1-c1ccc(Cl)cc1 2331123740 NUFMDYPERMIEAH-UHFFFAOYSA-N 525.026 6.125 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331318610 GKCHTNXEHACVFD-UHFFFAOYSA-N 518.551 5.376 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2333277766 HAYVDHBKYABBBI-IIKYJZTGSA-N 645.174 11.764 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360426682 NSCMEQYZDNLDAD-LLVKDONJSA-N 509.797 7.281 50 10 KKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(Br)cc1CBr 2364335752 JBTSKENOKMLAFE-UHFFFAOYSA-N 530.884 5.239 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2c(Br)cnn2C)c1Br 2365188177 IUWFQGVHRILQAQ-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(I)ccc2Br)c1 2366891039 VAUSJQKVWYUQML-CQSZACIVSA-N 548.871 7.429 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1ccc(I)cc1)CCCO2 2369616590 SMIDFYNGKNEFCS-MRXNPFEDSA-N 507.991 5.863 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2377614901 MIIAZOOWBGGFFC-AEGPPILISA-N 518.027 5.147 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 3096133 DAIOZWNJXXAKLU-YSURURNPSA-N 548.389 6.335 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC 38608364 HRKZTYYZGHZWMJ-WPWMEQJKSA-N 522.601 5.426 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)oc2c1 38687861 XDWHSJXEQAPNLD-XMMPIXPASA-N 515.363 6.250 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)oc2ccccc12 38700517 HYCQCVIZEHEXKD-HSZRJFAPSA-N 501.336 5.941 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701099 SECOPBGXLKHFHU-MUUNZHRXSA-N 506.558 6.360 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 39858855 OLLGUQYAQGTXBT-AQTBWJFISA-N 504.468 5.668 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(-c5ccc(C#N)cc5)cc4)c(C)c32)c1 40811396 JMBRYTWIIARAIF-MHTZHOPKSA-N 503.558 6.125 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100173301 BDYFQFKLQFNQSX-UHFFFAOYSA-N 605.382 6.210 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc(C)c1Cl 101370975 IYEJBBRYARWHNV-HSZRJFAPSA-N 529.807 6.466 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373581 HYZDZJCPZWODAS-MUUNZHRXSA-N 569.441 6.383 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373594 FKBHVWYPOHXFII-HLBRERCFSA-N 565.453 7.018 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCC(C)C 101374182 QUOJMMYOKCQWCF-SANMLTNESA-N 549.421 5.930 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389229 VVQJTTVAAQZXCO-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101395125 XCNGWDBSTZMLKO-QFIPXVFZSA-N 551.407 6.432 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101395595 NCPAJMPTYXJYHK-MHZLTWQESA-N 534.996 5.829 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OCC 101395726 KEMZCIBLBRRFEU-YFCIGXFPSA-N 560.735 7.774 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612429 YCXAPULUZCDMEN-BIZUNTBRSA-N 617.283 6.660 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(\CNC(=O)c2ccccc2Cl)c2ccccc2)C1 102093224 RMNVMDONURVCTJ-SOAOMDFOSA-N 539.120 5.580 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1OCc1ccc(F)cc1 102932953 NNLLYVCYGABBBC-MFOYZWKCSA-N 597.790 7.784 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1OCc1ccc(Br)cc1 102933011 HYBJSLAIQZKCRH-RQZCQDPDSA-N 532.221 6.889 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC 103880302 NAGCMTFBJKGTGE-ZCTHSVRISA-N 546.465 6.777 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 103884217 QLUGQDYLELGPLC-PXLXIMEGSA-N 615.355 6.989 50 10 KKGE Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1Cl 150384277 IBIALBOUHGLZJF-DCCFICQESA-N 628.581 8.196 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150410005 IALDFDBACVRVJY-UHFFFAOYSA-N 702.263 6.267 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479617 XFMCCCAIGGAJSU-XMMPIXPASA-N 663.382 7.470 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 150498678 YACACXZORSOEKT-DPWJMMOYSA-N 669.425 8.239 50 10 KKGE CC[C@]1(C)[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 155257192 UZDZMDLWOSZPDM-GMXVVIOVSA-N 646.870 5.831 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1Cl 197603540 OUDMJFUVKRXJRW-VCHYOVAHSA-N 546.748 6.505 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1F 214218446 RMPDXZGPXXYGQU-JLPGSUDCSA-N 512.585 5.860 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214242852 BOZOOBBIPFIHEO-QXPFVDMISA-N 588.683 7.430 50 10 KKGE CCOc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 233791151 KHQWRSNSSUAECX-GFCCVEGCSA-N 523.899 7.463 50 10 KKGE CC[C@@H](C)c1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 233868109 WQKSNUQGXVPNTN-DIFFPNOSSA-N 508.035 7.052 50 10 KKGE Clc1cc([C@H](Br)c2cc(I)ccc2Br)sc1Br 236071215 OCJOQIVGCVNAEI-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@@]2(C)C=C[C@@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 248172185 STDWDYDOHOANPV-XQJKOGARSA-N 950.167 7.570 50 10 KKGE CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 248202320 WZGPIBBCDYPFDI-NPTPTYOFSA-N 577.795 5.911 50 10 KKGE in-vitro C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253576226 VOBDOBSZHPQODX-BQNXFWFHSA-N 586.765 6.907 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254566531 JMKPTIDAGXGWHO-FVAWXSKRSA-N 560.639 5.191 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc(OC)c1OC 254789423 RALZHBRDXKWJGP-UHFFFAOYSA-N 540.572 5.128 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 254794569 FDVOEOFMGYBCOJ-JGCGQSQUSA-N 515.638 6.531 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(I)c(Br)c3)ccc2O1 721573833 SUCJFQKGTXBDNX-ABKXIKBNSA-N 507.991 5.861 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(Br)c(Br)s1 721593110 ILYBIRPHHLTBBG-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1084040251 GDNPDEBBJGUSIX-UHFFFAOYSA-N 602.783 7.669 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084325046 ZIYSDBSHANQENI-JOCHJYFZSA-N 638.256 5.505 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 1084525805 LSVGSKCWTIRCDH-WSDLNYQXSA-N 505.412 6.508 50 10 KKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084621018 UHPWDFPABXKGEW-LZRJDNKJSA-N 578.181 8.754 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1cccc(F)c1 1084651810 RVMRPROMAJXEDN-UHFFFAOYSA-N 537.385 6.414 50 10 KKGE C/C(=N/NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 1615086522 IVSAOYOKGQGAQG-VKJFMTCRSA-N 577.710 5.644 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2Br)ccc1OCCc1ccccc1 1772753792 IZQRXYVWHXSBLX-UHFFFAOYSA-N 562.258 5.371 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccccc1C 1772755815 SUUCUUOQEVVXMR-UHFFFAOYSA-N 525.443 5.998 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687205 LWNJQHAUOVJKJA-MHZLTWQESA-N 545.014 6.092 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCCc1ccccc1 1865688610 WNGXKWLWDROLJG-RUZDIDTESA-N 564.539 5.938 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696691 JAIYORNYZLBZTD-NDEPHWFRSA-N 521.621 5.458 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865697655 YTVVGNMENWSRJE-MHZLTWQESA-N 559.041 6.797 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1C 1865703376 UXADPAZAFJNUBP-GDLZYMKVSA-N 520.633 6.247 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703742 DQBZTNWURFECRP-AREMUKBSSA-N 572.974 7.495 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711515 AILITARBCOEHJW-VWLOTQADSA-N 544.995 5.445 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867210001 ZQVRCXPUQRETDV-RRPNLBNLSA-N 568.164 6.710 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867214496 SWHMMINEPWGSDD-UNMCSNQZSA-N 564.571 6.037 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc4c(s3)CCCC4)CC2)n1 1868253439 HPDJAJQZZOMDEB-UHFFFAOYSA-N 506.701 5.702 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4ccccc4s3)nc(-c3ccccc3)n2)cc1 1868365772 XDOWOINXOORKIG-QHCPKHFHSA-N 506.660 7.412 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1868505226 DDNWMAMJDNOPAK-UHFFFAOYSA-N 539.661 6.525 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)n2)cc1 1868527912 KCGSZLWIJMDPJE-UHFFFAOYSA-N 575.742 6.705 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)\c2ccccc2)cc1 1872757798 WOELGVNENPRJEK-BJGRWJNTSA-N 501.007 7.514 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873496311 LZFVZHJVQGPQSQ-HNSNBQBZSA-N 528.008 5.378 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 1877189244 YSODTKLPZMVIFR-ZETCQYMHSA-N 511.892 6.360 50 10 KKGE CC(C)(SC[C@H]1C[C@H]1Br)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893196243 OBHMHTYKPMFPLW-XMDBHEJHSA-N 504.446 5.274 50 10 KKGE FC(F)COCC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583583 LZWHLCCBYHCIGF-SCSAIBSYSA-N 521.841 6.143 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924595217 WJUSCAMURBNXNP-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Brc1sc([C@@H](Br)c2sccc2I)cc1C1CC1 1945803597 LSMOOSFOHLHGHZ-SNVBAGLBSA-N 504.050 6.538 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2025779183 DKRIHFBPUJZYMZ-UTNXVAPVSA-N 575.158 7.190 50 10 KKGE CC(F)(F)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780965 ZXRWECSYTZOONO-ZCFIWIBFSA-N 564.682 7.218 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Cl 2025783000 LHVXLFKBTUGRHU-IAQWREMFSA-N 511.277 5.624 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(F)cc1Br)C(=O)OC(C)(C)C 2085375024 CAOAIMKXNAUNRD-SFHVURJKSA-N 530.216 5.556 50 10 KKGE FC1(F)[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141472283 BUTVJEFHPBNLOA-UWVGGRQHSA-N 588.704 7.218 50 10 KKGE CC1(C)CCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477911 VFKNUZZHJCNWHA-WPPNPWJKSA-N 538.343 7.843 50 10 KKGE CC1(C)CCCN(C(=O)c2cc(Br)ccc2I)[C@H]1CBr 2185804785 BFLPQWCDDJFMPN-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2201879289 NECFWJVZCYUKMJ-PNLAZUSQSA-N 571.976 5.687 50 10 KKGE Brc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)sc1Br 2229741202 GWJRGWDKRMKCBP-LBPRGKRZSA-N 531.889 6.455 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277959748 WHYCNZDDSSSFND-CQSZACIVSA-N 511.877 6.961 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278099199 CXNGLSXJALJFSB-ZDUSSCGKSA-N 548.490 7.468 50 10 KKGE COc1ccc([C@H](Cl)c2cccc(Br)c2Br)c(Br)c1Cl 2283555765 TXTPVWNTYVGJIE-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)sc2c1CCCC2 2294171945 LPHWORMMADMCAE-UHFFFAOYSA-N 522.070 6.719 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2cccc(F)c2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 2294217714 CKJUFIBTRQNKDO-UHFFFAOYSA-N 604.274 5.044 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1 2295872340 DRPRUFCNMMBFLY-UHFFFAOYSA-N 502.979 7.051 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 2296939479 ICMFAUOZDZCEPW-QFIPXVFZSA-N 556.844 6.307 50 10 KKGE Cn1nc([C@H](Br)c2sc(Cl)cc2I)c(Br)c1Cl 2300952948 CNLPGDCFUXYGMH-YFKPBYRVSA-N 530.838 5.640 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1Br 2313540789 UMKNSOPXTAQYIO-UHFFFAOYSA-N 548.275 6.155 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Br)cc1 2313570766 FTVLCRLYUFLKOL-UHFFFAOYSA-N 586.313 8.008 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C1 2314479380 SINQUFVCTNVCEK-DEOSSOPVSA-N 565.699 5.183 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591790 DZCQYYBFZIARIX-MHZLTWQESA-N 511.647 6.076 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592086 LRNGCZIQCRCSLI-VWLOTQADSA-N 518.038 6.112 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314618185 ISESCHPGZGKOFI-SANMLTNESA-N 625.128 8.125 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2314640745 VIDGVJBURKSTGM-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314741389 YMNHFGFZXLQZKJ-UHFFFAOYSA-N 500.551 5.309 50 10 KKGE CC[C@H](NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccc2c(c1)CCCC2 2318467360 CSDJVBVOKSNTIX-MHZLTWQESA-N 506.675 7.237 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1 2331318369 DMPLOZCRTCIYCU-UHFFFAOYSA-N 513.619 6.477 50 10 KKGE Cc1c(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 2331360148 IFAURSYTKYEYOC-UHFFFAOYSA-N 500.492 6.677 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)c(C)c1 2331394018 UGUPKFWVVXTBBA-UHFFFAOYSA-N 517.876 7.803 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(F)c(Cl)cc2Cl)CC1 2349901701 SFHXVXUTDVMQBF-UHFFFAOYSA-N 518.194 5.854 50 10 KKGE FC1(F)CC[C@@H]2[C@@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358264575 NCBJDEPCGUUWGQ-OJDINAINSA-N 602.731 7.464 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1csc(C)c1Br 2369594474 RKDXUAZQHZGEQY-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1Br 14640708 SHEHHRRFXFCAPO-UHFFFAOYSA-N 518.452 5.205 50 10 KKGE O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 34378511 XILYUBONGSXQDP-IURWMYGYSA-N 512.406 6.125 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701113 IDYQISZSNLLODD-MUUNZHRXSA-N 522.557 5.655 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701262 CYZYZOFXNIEJGH-GDLZYMKVSA-N 522.601 6.920 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 39991896 OQHGAMSGGYWQAZ-CAPFRKAQSA-N 510.656 6.317 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 39992822 QAYJMBOOXAVZNW-LVZFUZTISA-N 508.578 5.647 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100189258 RCVZZFDXEZBEFG-UHFFFAOYSA-N 556.482 5.156 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N\Nc1ccccc1)CC(C)(C)C2 101067277 PDYASQFUKNYHCS-USHMODERSA-N 509.404 5.214 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(Cl)cc3Cl)nc12 101115844 GFBYGRURHBIBLQ-GDNBJRDFSA-N 525.779 6.301 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2F)C(=O)N1c1ccc(C)c(C)c1 101246827 XTFOJHNTYOPQRI-DBTLDAOKSA-N 501.583 5.516 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1C 101341274 YBQCYJSUDQGGKH-OVVQPSECSA-N 552.631 5.182 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376196 OFPNFUXOODDHEU-UGDMGKLASA-N 540.660 6.826 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 101378003 ARLDSDVPJGOADI-XIFFEERXSA-N 568.714 7.536 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383397 BCXMBQRRXQVATA-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1F 101386704 PGRYAGLWZXBRPY-HKBQPEDESA-N 612.610 5.876 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101388837 BCLQSQAFKTVEMM-SSEXGKCCSA-N 554.549 6.380 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101393358 XJMIXJLPSCYHHR-MHZLTWQESA-N 583.468 6.873 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399784 OGMCVPYYTBFPBE-AJQTZOPKSA-N 611.050 6.281 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399867 SZFCYJKOBZSCNW-UMSFTDKQSA-N 618.661 7.858 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc2c1CCCC2 102711037 QLUWIZQUONIYAJ-QBFSEMIESA-N 504.464 7.210 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 103806295 DNJOKDVTZYVKEF-FJEPWZHXSA-N 616.612 6.419 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc(I)c2O)cc1 103877591 ZENNSBKACUVYNZ-RWPZCVJISA-N 555.803 6.180 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@@H]2CCC[C@@H]2P(c2ccco2)c2ccco2)c1 106804782 YLYQEMBYAKXUDN-FMYROPPKSA-N 502.575 7.229 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1 150382831 YTPWNGCORFXUKS-OADPBGPJSA-N 627.704 6.250 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485856 YGAJSSVKTSJCCA-NLINSNCNSA-N 645.539 7.734 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 213572817 RKPWDVVMCBUEMP-ZGDJDIHISA-N 644.482 7.762 50 10 KKGE in-vitro Brc1ccc(I)c([C@@H](Br)c2ccc3c(c2)CCCO3)c1 232484674 PTCALKLLFZJOHP-INIZCTEOSA-N 507.991 5.863 50 10 KKGE Cc1cc(C)c(C)c([C@H](Br)c2cc(I)ccc2Br)c1C 235823418 CGPUSHSOSFBARI-QGZVFWFLSA-N 508.035 6.772 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)sc2c1CC[C@@H](C)C2 254608102 OMCONJZQBOIKTK-LJQANCHMSA-N 587.673 6.010 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1cc(P(=O)(c3ccccc3)c3ccccc3)ccc1-2 575629728 CWKORCBYPSSTRH-UHFFFAOYSA-N 883.968 12.426 50 10 KKGE CC(C)[Si](OCC(=O)[C@@]1(O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)(C(C)C)C(C)C 605694689 DRHJQOZLRXWLKW-SKYGRJPUSA-N 707.129 9.020 50 10 KKGE in-vitro CCCCCCCC[C@H](CCCCCC)CO[Si](OC[C@@H](CCCCCC)CCCCCCCC)(OC[C@H](CCCCCC)CCCCCCCC)OC[C@H](CCCCCC)CCCCCCCC 642772092 KIAVRPCRHXOERO-KMRYNNCBSA-N 993.842 22.837 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccccc3I)c2O1 720052645 NVFZNDLSLUPMCI-RFAUZJTJSA-N 507.991 5.861 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)sc3Br)c2O1 720054269 UNWTYBXXWFXWAK-INWYIAFRSA-N 545.916 6.843 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)s1 721593819 LXQDBZCJVHSTJV-NSHDSACASA-N 550.879 6.670 50 10 KKGE Cc1sc([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Br 724910902 WUCOMYSSITXYEJ-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1I 725383741 HOROYLHUUHWLRS-SXGWCWSVSA-N 584.195 5.623 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1083918155 HOSIBGLSUIJBMO-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084036670 PPLZMBMXNBHSLI-UHFFFAOYSA-N 603.066 6.420 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084104663 ODYQWJGVKUTSPB-HYARGMPZSA-N 615.355 6.989 50 10 KKGE Cc1cccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c1 1084109874 SGOGAKOVTVIPEA-UHFFFAOYSA-N 532.065 6.116 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1F 1084140332 AQTUKNRGQDPBHC-CXUHLZMHSA-N 550.211 7.028 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084304103 AJVQWDCPELSORQ-UHFFFAOYSA-N 554.594 5.702 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 1084396493 KBOTXOBSIFNDDP-DEOSSOPVSA-N 580.306 6.698 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)cc1 1084398634 FAWWEYKGNMLJCX-UHFFFAOYSA-N 542.705 5.750 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(Cl)cc2)cc1 1084533141 JRTMFPWYAKTESG-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4c(C)cccc4C)c3C)cc2)S(C)(=O)=O)cc1C 1084627961 JHARDQHWIHEDNX-UHFFFAOYSA-N 556.732 6.058 50 10 KKGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)ON=C2C[C@H]4CC[C@@]2(C)[C@]4(C)CBr)CC[C@@]3(C)C1(C)C 1772721776 OXOFNMIKPGLQKR-IRUDQWCOSA-N 538.530 6.696 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747505 PECPPWDXCOJYRZ-UHFFFAOYSA-N 527.824 5.161 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747915 STNXUSNCVCMPDT-UHFFFAOYSA-N 535.600 5.789 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 1772755158 QKXHXCLRIPLEBX-UHFFFAOYSA-N 572.937 7.047 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682563 RNOTVGSYJXGMCY-SANMLTNESA-N 508.597 6.262 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1c(F)cccc1Cl 1865686272 TWWBCFFLDCDSRZ-HNNXBMFYSA-N 517.697 6.268 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688228 NLSICSLOLCWBFP-GDLZYMKVSA-N 520.633 5.651 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688883 DGIOOYKEDHLVSS-VWLOTQADSA-N 565.427 6.387 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccccc3Cl)cc2)cc1 1865694444 YHICSSQFGOJKSA-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695498 OYAVADMJTSRXRZ-SANMLTNESA-N 531.443 6.598 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865696368 ZXBAGRXNKLOCOO-XMMPIXPASA-N 566.967 6.659 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865696926 UKSLIPNQIPXYBP-LJAQVGFWSA-N 550.659 6.734 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697686 ZJCMAKIEELSECU-PMERELPUSA-N 569.105 6.776 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc(Br)c1OC(C)C 1865698564 XOWCELPALZGLMS-RUZDIDTESA-N 571.475 6.624 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)c1 1865700645 ADRDDCVOQDCSTQ-WJOKGBTCSA-N 573.096 7.666 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710930 LXCJRKMVKNQIGI-JOCHJYFZSA-N 506.915 6.489 50 10 KKGE CSCC[C@H](NC(=O)Cc1nc(-c2cccc(Cl)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866668021 YKOASMMIIUIIRD-FQEVSTJZSA-N 515.060 5.296 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866744813 XYLHHEFDCZNXHL-URLMMPGGSA-N 529.706 6.585 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867014648 YUOSLIOXWYKTSL-FQLXRVMXSA-N 559.757 6.599 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867084270 ABFCELOEESRRAT-AREMUKBSSA-N 559.692 5.148 50 10 KKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872744147 WYWCXTLZEPQKCN-JRXCRPKVSA-N 505.599 6.591 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872746163 VKSGUHAONIWTJH-QOCHGBHMSA-N 518.551 5.376 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1F 1872752494 FXRWAZJPIIXZMJ-DAFNUICNSA-N 511.534 5.704 50 10 KKGE Cl[C@H](c1csc(I)c1)c1cc(Br)ccc1OCc1ccccc1 1899855661 ANPKHZWJWRYBJR-GOSISDBHSA-N 519.629 7.022 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915294791 CRTBBRPGWPBJKW-KRWDZBQOSA-N 554.142 5.822 50 10 KKGE CC(F)(F)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605445 RMDCDOZTBSEVBN-ZCFIWIBFSA-N 519.869 7.153 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCc2cc(Cl)ccc2Br)C1 1993165434 GMFMTEUIJCDLNQ-KBPBESRZSA-N 516.601 5.042 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2036573612 YEVVVQAHCLOKFF-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC23CCCCC3)c1Br 2039006730 SGRRATIHECNKPO-CBAPKCEASA-N 521.938 7.442 50 10 KKGE Cc1cc([C@H](Cl)c2sc(Br)c(C)c2Br)ccc1I 2086018796 FJRXNQLNAOKADG-NSHDSACASA-N 520.455 6.823 50 10 KKGE Cl[C@H](CC12CCC(CC1)C2)c1c(Br)c(Br)cc(Br)c1Br 2206396369 WBYYIYHTCHPPGN-PZRTYGLHSA-N 550.354 7.987 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csnc2Br)c(C)c1Br 2220152507 TZJRSBDLDTWSAY-NSHDSACASA-N 518.894 6.532 50 10 KKGE Cc1cccc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1I 2225633401 JIYKUPOZQYOPFL-ZDUSSCGKSA-N 518.389 6.592 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c(C)c1Br 2227355420 ZFCFVQTYNVNTPY-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Br)sc1Br 2247987859 NLXJYLLMAZEUHG-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2ccc(Br)cc2I)c1 2277957767 WTYQJJJXJPLOPA-CYBMUJFWSA-N 623.746 7.257 50 10 KKGE Clc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)cc1I 2278028220 ZWOLELDVPDSRMW-CYBMUJFWSA-N 548.490 7.468 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283575423 VLVKSKODFMZIMG-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE COc1cc(Br)c(Br)c(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c1O 2293100678 OZPGTNPJDIVWIZ-UHFFFAOYSA-N 650.755 5.566 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198256 NMRFFLFZUNHNFY-QHCPKHFHSA-N 597.332 5.954 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(Br)=Cc3ccccc3)nnc2-c2ccccc2)cc1 2293707226 CAFFUOLNXXBYED-UHFFFAOYSA-N 562.493 5.963 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccco3)nnc2-c2ccc(Cl)cc2)cc1 2293740377 VLNCCZLAQIVZIN-UHFFFAOYSA-N 508.003 5.487 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c(OC)c1 2294917434 DJEMXXGVUZUMNM-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295264259 CUJXSHJNLYKSMV-HNNXBMFYSA-N 590.773 7.724 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507026 PTMHMYOTGZZNGE-OAQYLSRUSA-N 563.293 7.365 50 10 KKGE CC(C)COC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 2296798430 SHKQZFWVFUCHJD-UHFFFAOYSA-N 505.983 6.359 50 10 KKGE O=C(CC(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297730884 TZPYVXIPRUHANZ-UHFFFAOYSA-N 812.974 11.491 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1I 2313560907 KYQUUSXFRBQMGB-UHFFFAOYSA-N 572.184 5.457 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cc(Cl)ccc2OCc2ccccc2Cl)sc2c1CCCC2 2313630973 XSFGUPOQSPWWSR-UHFFFAOYSA-N 555.483 7.235 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C 2313667089 FRHNPJLLTYKMKD-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314572229 WKMRJSLTOBZHOF-UHFFFAOYSA-N 502.220 8.204 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611090 QGKIGFYYEOGTJL-PKTZIBPZSA-N 597.741 5.351 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314611444 UGIDODVOHRUFSO-UHFFFAOYSA-N 570.693 7.291 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(C)=C(C#N)C2=O)cc1 2314617238 UKBGFZFVTMBPDG-UHFFFAOYSA-N 503.352 5.510 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314618565 PQIRSELNKCDREK-UHFFFAOYSA-N 510.553 6.078 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc(OC)c1OC 2314634441 SUIDDUUPCVCXNZ-AREMUKBSSA-N 518.953 5.203 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1sc(Cl)cc1I 2316601129 PEUXYDKZWUEQHT-NSHDSACASA-N 524.418 6.700 50 10 KKGE N#CC(=Cc1ccc(Br)cc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2329662028 VWKNECKBXAUZIH-UHFFFAOYSA-N 549.226 6.444 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)c1nc(-c2cccs2)cs1 2331326214 MIKZTNVPUQVPGZ-UHFFFAOYSA-N 513.556 5.346 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1F 2336087123 USNUDXNNOZLUGN-FQEVSTJZSA-N 502.580 7.444 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)ccc1Br 2360425365 BMYKJSLUTIAOQL-LLVKDONJSA-N 570.703 7.904 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 935115 KRHGHBLDTJFTJX-FNBPXTNNSA-N 567.396 5.561 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CI)C4=C(CC[C@H](O)C4)[C@H]3CC[C@@]21C 4654857 QJHZPCLORSPENH-YVJYXHLXSA-N 512.560 7.804 50 10 KKGE in-man CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 14648285 NXFGHGJNLJXNSA-UHFFFAOYSA-N 509.444 6.001 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608472 GZLORJSIUPHXQG-JVWAILMASA-N 506.602 6.074 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)oc2c1 38688338 JJBBBROTWUMJNW-RUZDIDTESA-N 519.384 7.102 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 40514484 CBJROXFWFIUXAN-MTDXEUNCSA-N 514.585 5.730 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1)c1cccc(Br)c1 59391510 XBRRXESRQWBVQW-ZMOGYAJESA-N 501.178 5.228 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101244006 MDGHTAOWJJHQAL-PZJRUVIDSA-N 565.617 6.408 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245642 RMQVPVRMXHRHKD-MZOFLMDJSA-N 572.008 6.741 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 101245840 CPFDRSSXPDSYNF-OKBUYZRPSA-N 536.484 6.984 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101307381 WWHQYOJVMFRAMI-VWLOTQADSA-N 523.372 6.004 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101336418 NKNYSOBDCRJINI-MUFRIFMGSA-N 543.627 5.762 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 101340677 WZCKWPADZCGVCW-MFKUBSTISA-N 565.029 6.002 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101370754 OSEJIEHPUDBVLE-WRGVRERRSA-N 542.632 6.198 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101372373 OFMKNDXTRROJLA-NHRFMIRVSA-N 584.713 7.369 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 101373646 VPJGWRYAHABZRQ-MUUNZHRXSA-N 534.996 5.730 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 101376905 SHXFLESLGZHNMZ-JGCGQSQUSA-N 530.624 6.821 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 101377645 SSKLXJYRUSAKMX-MUUNZHRXSA-N 517.025 7.127 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 101377707 HFZDHBLSUVFOLB-WJOKGBTCSA-N 526.633 6.547 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1C 101379266 PYAVTSWDIYCZMV-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384245 CIGOCKRNWRMSTD-HKBQPEDESA-N 550.586 6.224 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384421 NDVTUTKESRIENG-JGCGQSQUSA-N 564.613 7.021 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 101393259 MODOGHXRBYGXFD-PDNQPUDYSA-N 546.708 7.384 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)CC1 101398721 WAYNGNQEXRVALT-WGAKKPHLSA-N 554.662 7.525 50 10 KKGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101486994 CJOSDCRWTDAAAP-UHFFFAOYSA-N 531.576 5.825 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 101751370 DVDBLYZUKBYUPF-UDWIEESQSA-N 523.383 5.373 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccco1 102836175 BSFASAIOFPFFPZ-HAHDFKILSA-N 569.448 7.241 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 102932901 SKHDSXHBVUQMAX-LDADJPATSA-N 576.790 6.929 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 103742604 RCDWPBWMXHVWLJ-XCQFTPQJSA-N 526.420 6.506 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 105403313 FDVOCRUEHPYUKI-SZXQPVLSSA-N 540.623 7.063 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)C1 110559430 XEGNYBGKMDNTGP-UPQSEYGOSA-N 557.720 5.316 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411511 VOCQDBSOMHCHKA-ISPANKDXSA-N 701.204 6.688 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1Cl 150463629 JKWGHHAJCLLXRJ-UMSFTDKQSA-N 673.593 8.896 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150482140 BIKHKOBJNRCTGY-HHHXNRCGSA-N 668.385 9.531 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 206288335 WNDKNXAGRJKEQK-SZVNPNTASA-N 507.583 5.752 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214303884 ZNBWMYNBQSHOGI-PKAZHMFMSA-N 522.649 5.872 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214311267 BWNYFQIALIDLAQ-QRQIAZFYSA-N 529.600 5.516 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 221681648 AQLURWHBCUUICR-DPSJXZRMSA-N 710.852 7.267 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)cc(OC)c1O 252602782 FLLXPJCRFDLORR-UHFFFAOYSA-N 506.356 5.151 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc(C(C)(C)C)c1O 252626353 RAVDEKGTUFAXOC-UHFFFAOYSA-N 522.693 7.058 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254488091 PWBWQRGXBSJCRH-UHFFFAOYSA-N 544.655 7.061 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 254698026 JAKDRLRQJVYLIC-UTPCYKHQSA-N 541.655 5.677 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254756887 MQNPNZWHEYLCKE-UHFFFAOYSA-N 500.554 6.255 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 256018198 KCVKVDDPFXVWLB-IUBWLMFOSA-N 590.467 7.798 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024902 JNQCVHANFYXNMP-LQDZVCQFSA-N 630.590 10.101 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2ccc(O)nc2=O)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 261191396 ZGOBOELGRBUBPZ-HZFRXHCASA-N 584.789 6.636 50 10 KKGE Cc1cccc([C@H](Br)c2cc3c(cc2Br)OCC3)c1I 308412097 GOQJFNPIGQZYTH-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE BrCC(CBr)(CCCOCc1ccccc1)c1ccccc1Br 382088581 YEVDIPDNXASMTQ-UHFFFAOYSA-N 505.088 6.474 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cnn(C)c2I)cc1Br 386210707 MTLLPHMUJNANDV-NSHDSACASA-N 504.391 5.186 50 10 KKGE CC1(C)C[C@H](Br)C[C@H](NC(=O)c2cc(Br)ccc2I)C1 693898588 VUVCXRSHHMOHJR-MNOVXSKESA-N 515.027 5.126 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 1083940565 YGVUVSBOLGCTOQ-UHFFFAOYSA-N 569.661 7.222 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084059857 GABZWVIJFMRFAG-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084060563 SZSOCJJCTVFNTB-CXUHLZMHSA-N 615.138 8.586 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc(C(F)(F)F)c1 1084409560 TUNYKLLKLKBYIH-UHFFFAOYSA-N 509.531 7.594 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccc(F)cc1Cl 1084555336 XOYRNFWIJHHCTM-UHFFFAOYSA-N 596.442 6.502 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084566566 NCJFXQRCKDXZSC-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084636105 RCJOMDHQZLZAON-OVCLIPMQSA-N 554.630 7.673 50 10 KKGE COc1cc(C=NNC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720613 UKDVVHZXGZFASX-UHFFFAOYSA-N 612.079 5.034 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1C 1772747044 KLDILOKEHRFDSI-UHFFFAOYSA-N 507.406 5.447 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772752164 WPOHMSODBLGGRP-UHFFFAOYSA-N 534.012 6.265 50 10 KKGE CN[C@@H]1CC[C@H](O[C@H]2C=CC=CC[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@H]2OC(C)=O)[C@H]3OC)O[C@@H]1C 1848435382 MGIACLJTFQJLSW-DBSNYRFCSA-N 985.339 5.741 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685522 JYHNGGXHAKNASD-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687145 KJEMSYCXXIAVSN-VWLOTQADSA-N 525.024 6.082 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865690576 VMBUTWPUTWCUSV-HHHXNRCGSA-N 541.051 6.988 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1865695605 QLJZMUJMCCKICL-HKBQPEDESA-N 573.096 7.666 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)c1O 1865696475 NOXIJJCUUOKHPA-QFIPXVFZSA-N 563.839 5.947 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865697229 XVWFMNHWZBJRMF-MHZLTWQESA-N 518.633 6.209 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)cc1 1865698298 PPYRHKXZVRMWJP-NRFANRHFSA-N 509.418 6.193 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698939 GRTHKEGRTMWZOR-MHZLTWQESA-N 501.590 5.625 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703222 QIVFENCXLDNXEG-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704288 RWMPFPDWVDHRNL-AREMUKBSSA-N 517.416 6.344 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865705424 VOKCGFAEYBRKLM-JOCHJYFZSA-N 566.923 5.990 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCC(=O)N(CC)CC 1865707066 MWZBLKOTZIVBBJ-PMERELPUSA-N 577.685 5.712 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865708577 BNNDMKSUSGSWED-QFIPXVFZSA-N 543.377 5.227 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865710976 MVNCMQLHDYNVKN-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865714305 GUMAJPCCMQYYOP-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE CCCC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866635193 PXVFCPWKNODISH-SFHVURJKSA-N 527.697 5.259 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866760744 NPWDHKUGKNEIGW-KAYWLYCHSA-N 533.669 6.212 50 10 KKGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1867079457 HGNISJDKFXMSGV-NRFANRHFSA-N 569.684 5.168 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)Cc4c(C)ccc(C)c43)n2)cc1 1868527660 FGKFPCINMLTJOZ-HXUWFJFHSA-N 521.690 7.806 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1872727289 MVQBAGYBLWZEJS-YBFXNURJSA-N 557.680 7.327 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1Cl 1872727707 UZKJUTARXHQWEZ-XSFVSMFZSA-N 510.034 7.200 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745696 ZATCUHIMKHGVPK-LCUIJRPUSA-N 503.539 6.302 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5c[nH]c6ccccc56)cs4)cc3C2=O)c1C 1872753431 WVWGTIJGMLWDDI-QYQHSDTDSA-N 516.582 6.659 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccc(C)cc1 1872794864 APYNUWPGHJOPOU-RGVLZGJSSA-N 507.442 8.077 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1OC 1873920504 HEIJDCYIVIPUNT-FAHHEKPQSA-N 519.623 5.028 50 10 KKGE CC[C@@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924596479 PBDQMTCNOFVBNL-GXSJLCMTSA-N 531.933 7.665 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2(Br)CC2)c1Br 1956592353 BGPDNPYQNCEFAC-YFKPBYRVSA-N 532.715 6.399 50 10 KKGE CCCN[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2076183602 HHCSIBOIJAIFPW-MATHAZKKSA-N 524.942 6.250 50 10 KKGE CC1(C)c2cccc([C@@H](N[S@@](=O)C(C)(C)C)C34CC5CC(CC(C5)C3)C4)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080770311 DDAVVJQEEHFBRU-JNCANMEVSA-N 661.892 9.186 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc(Br)ccc1I 2083330411 OGGBPMHQWGBIOY-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE Cc1cccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1I 2138852256 RQHFWICPGQTIOF-AWEZNQCLSA-N 558.877 6.917 50 10 KKGE Brc1ccccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471899 XOANDQPNMLOSJN-LLVKDONJSA-N 641.615 7.983 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)c(OC)cc1Br 2172569777 QISWCRJGZQIUPW-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)cc1Br 2202904643 VAVKQURAIGHMLY-CQSZACIVSA-N 578.839 6.448 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206393744 AZRVULJAXBZAMG-JRKPZEMJSA-N 596.821 8.389 50 10 KKGE CC[C@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206395110 LQQWQPXWOZZMQN-KCJUWKMLSA-N 554.386 8.479 50 10 KKGE COC1(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206397085 DVARURCJEYBPKK-SNVBAGLBSA-N 598.793 7.522 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206398026 PRJYHOKORGKWOU-ZDUSSCGKSA-N 590.773 7.838 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 2217424255 VGZVOYTTXHBXAA-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Cl)c(C)c1Br 2235607163 YKDUYNNDOYJAAY-CQSZACIVSA-N 501.871 7.620 50 10 KKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)c(F)cc1Br 2255682318 FHFNRDWIQYAZFB-JTQLQIEISA-N 525.832 6.798 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1scc(Cl)c1Cl 2272747392 JTTIIDRHKMWVDJ-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1I 2285004928 DZSFSPCMDAMPRB-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198248 NHVMQXFJXYMUIU-HSZRJFAPSA-N 563.433 5.100 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198467 WFHBWRWVSRHTFM-GOSISDBHSA-N 526.239 5.745 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2C)sc2c1CCCC2 2294146982 PGZDUXFOYQDNCR-UHFFFAOYSA-N 542.488 7.064 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297602759 NBJRFADZXIXCDP-PDHFTJHLSA-N 672.642 5.353 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)ncn2C)c1Br 2300296008 GWIFUBSCKFETJE-ZCFIWIBFSA-N 507.871 5.562 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1 2313560755 FSOMMKPOTRJOFC-UHFFFAOYSA-N 590.315 8.106 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593866 VDOXAVRMWYGDPF-RUZDIDTESA-N 570.036 6.718 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594140 ZPTDDYUBAYFCCL-AFMDSPMNSA-N 516.066 6.206 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314640667 JHUCDDRDMNJDCE-WJOKGBTCSA-N 543.063 7.526 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643302 OXNQOBXWKMQFAV-MGBGTMOVSA-N 647.942 8.461 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 2314643307 PPUKJMHULLMMIN-YTTGMZPUSA-N 548.570 6.250 50 10 KKGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cccc(OCc4ccc(Cl)cc4Cl)c3)ccc12 2328792008 WDBDDSXYPDKACT-UHFFFAOYSA-N 511.361 5.516 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)c(OC)c(OC)c3)n2)c1 2331376480 ISEBWAQJXQNYFJ-UHFFFAOYSA-N 508.596 6.139 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)c(OC)c1 2331385972 ZERFAZNZYWKSJW-UHFFFAOYSA-N 515.591 5.706 50 10 KKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 2331396572 QICJXKRMQNTJBY-UHFFFAOYSA-N 503.451 8.034 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OCC(=O)N(CC)CC 2331417917 APTBIHZSQMKWMV-UHFFFAOYSA-N 521.639 5.537 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCC(=O)N(CC)CC 2331449249 DMKHSRPENAUFLI-UHFFFAOYSA-N 505.640 5.837 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2336088748 JMMSLXTYUQDAQO-JTQLQIEISA-N 507.900 7.567 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 2337111915 AVQKMRQTPRIRSK-QMMMGPOBSA-N 621.183 8.075 50 10 KKGE Clc1ccc(CO[C@H](CI)c2ccccc2Br)c(I)c1 2365645142 LEWSDKPDUOGIFV-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE Clc1ccc(C[C@@H](CBr)Cc2ccc(Br)cc2)c(I)c1 2366710284 DRIROHQVQDSGJD-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2380888565 BOQADMDCHRMTMY-IKMPGZOFSA-N 608.710 7.761 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 14030919 FRFTVIOIEZGGJU-UHFFFAOYSA-N 505.640 5.174 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38659982 QMRGDJNQWGLFBY-SSEXGKCCSA-N 518.569 5.659 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826624 RSRGQFXAOJBPSW-WEMUVCOSSA-N 513.594 5.920 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c(Br)c1 40959395 FVDKOSZAPWVDBF-RDRPBHBLSA-N 525.443 5.908 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(C)c1 58895283 UBHKNJNKNDPGHU-SGKMTROSSA-N 516.638 5.674 50 10 KKGE C/C(=N/NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2c(c1)OCO2 58989972 ZZVPZALEVLGGDP-OFWBYEQRSA-N 527.650 5.194 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(Cc2cccs2)C(=O)CCl)ccc1OC(C)C 97914868 VOFCQMGZDSESET-RUZDIDTESA-N 507.096 5.692 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 100235834 XGECACVNIYTLMP-ZZJXEYPFSA-N 563.851 6.183 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 100235922 MIFOUIFVVXXFGP-DNXMXBSFSA-N 599.478 5.518 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 100235958 UGWBRIDNPYFPJN-RDNGQCRJSA-N 595.921 7.197 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 100425628 RIURXLBIJMMHSV-UHFFFAOYSA-N 543.708 6.500 50 10 KKGE C/C(=N\NC(=O)CNc1c(Br)cc(C)cc1Br)c1ccc(Br)cc1 100965728 CVLFYKJANLQGRK-SSDVNMTOSA-N 518.047 5.235 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101314555 YKEFHJQCPWFXSY-DEOSSOPVSA-N 523.372 6.004 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101341203 LAUOXBOQQATQMT-SRZZPIQSSA-N 543.403 5.126 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)c1 101369042 AHVCGFDKUYMUNR-RUZDIDTESA-N 535.394 5.684 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101373709 DDWKZKJJYSVRCQ-GDLZYMKVSA-N 549.023 6.039 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379573 QLLJKRBDBHKMPJ-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101387733 RYJBHXIWVJJLKQ-WQEAFIQUSA-N 558.634 6.810 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388143 MFJYOYLOWAFSFO-PWXLVQELSA-N 613.497 7.808 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCCC(C)C 101393276 QVYWPQRDBNGJTA-HHHXNRCGSA-N 575.086 7.426 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N 101531892 BRDSZXMBRMOZPT-UHFFFAOYSA-N 558.815 8.227 50 10 KKGE COc1cc(C)c(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1C(C)C 103731442 KETQHGPCXJOSHR-IOXBOXJCSA-N 528.716 7.636 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 103742452 GZSCILAKGYFHHU-CTHAODRQSA-N 542.875 6.389 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742904 NHWYMNJKXSZNCU-QPQMVVSWSA-N 597.332 6.585 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 105008560 QGOWQWISXDJIRM-UNOMPAQXSA-N 531.410 6.033 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 150388761 DSFGYHDOOABSRG-RXYIZUPCSA-N 672.222 5.917 50 10 KKGE biogenic CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1Cl 150461221 MCDDFGWVZWKXCJ-YTTGMZPUSA-N 663.529 8.336 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462670 KWSXHHNMWNUHAG-NDEPHWFRSA-N 647.511 8.372 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 150646977 OYXSVBMIKAJRER-QWKCNVQFSA-N 656.527 6.492 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 206737828 DLSSIORYWATVLH-HMAPJEAMSA-N 502.567 5.318 50 10 KKGE C=C[Si](O[Si](C=C)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 207519004 IOIHOYVOZYYAHY-UHFFFAOYSA-N 706.675 8.048 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214277986 WIUMEULMKWMJCB-MIXAMLLLSA-N 542.639 6.427 50 10 KKGE CCOc1ccc(C)cc1[C@@H](C)N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216491694 DCNUDVMXLMGYMG-RAMZYJDASA-N 508.666 5.386 50 10 KKGE CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12 252599230 DHCQBLBAHFYIQF-MUUNZHRXSA-N 578.532 6.076 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)c3ccccc3n2)cc1 252611203 IHNAXWRBKKDBQV-UHFFFAOYSA-N 517.585 6.262 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 252626851 RGWKFKNACNVWSQ-UHFFFAOYSA-N 511.581 5.953 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3OC)nnc2-c2ccccc2)cc1 254288184 CVQJHMSGQOIIKN-RYSLUXAWSA-N 513.623 5.249 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(Sc2cccc3cccnc23)o1 254403303 PCVLBWSSERHYCJ-UHFFFAOYSA-N 535.798 9.691 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254711390 NTNZRRNGWGYFBT-UHFFFAOYSA-N 557.735 7.326 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 254871708 HGEAMDCVFQPJLN-UHFFFAOYSA-N 536.757 8.626 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019021 GUGJYXJXBHFPEV-OAUYIBNBSA-N 528.510 6.273 50 10 KKGE C[C@H](NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C)c1ccccc1 256019340 VPSLBEBEEITLMB-BIWMPGTGSA-N 508.092 5.550 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(O)nc2=O)O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 261191395 ZGOBOELGRBUBPZ-ATNBEAFSSA-N 584.789 6.636 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Cl)ccc2I)C1 382726738 QUAYKKUQKHAXLJ-MFKMUULPSA-N 547.602 5.330 50 10 KKGE COc1ccc2c(c1)[C@@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CC2 725238266 RIHSDZQBFIIOFB-REWPJTCUSA-N 522.976 5.892 50 10 KKGE C[C@H](Cc1ccccc1)NC(=O)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1 888085800 PWTFCXHALSMIMN-LQIQKOFNSA-N 788.114 10.097 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1 1083923991 QMXKNAMSELWDLB-HZHRSRAPSA-N 689.335 6.039 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cccc(OCc3ccccc3)c2)S(=O)(=O)c2ccc(F)cc2)cc1 1084079296 UEOZEMBDXPHAHR-UHFFFAOYSA-N 531.609 5.059 50 10 KKGE O=C(Cn1c2ccccc2c2ccccc21)NN=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 1084151489 NGXSGWOWCVTPFH-UHFFFAOYSA-N 546.631 5.175 50 10 KKGE COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1OC 1084345487 ILUOLTJSYZEOCA-UHFFFAOYSA-N 548.393 5.743 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc2ccccc12 1084353197 CLVAFHCVAZVJRM-UHFFFAOYSA-N 583.482 7.819 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccccc3F)c3ccccc23)cc1 1084392508 RYYDRAZVIYFPGU-UHFFFAOYSA-N 526.615 7.359 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(F)cc1 1084417605 XBJAYPFADINDDG-BUVRLJJBSA-N 558.451 6.643 50 10 KKGE COC(=O)COc1cccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)c1 1084476521 XBQWZGHJDNIMCE-UHFFFAOYSA-N 606.100 5.360 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Br)cc1 1084578500 MZQLVUVXWVZICL-UHFFFAOYSA-N 568.265 7.029 50 10 KKGE CCc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 1084607510 FMAZVRCCFILYED-UHFFFAOYSA-N 517.423 6.273 50 10 KKGE CSc1ccc(NC(=O)NN=C2c3ccc(Cl)cc3C[C@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1088722984 RHTOCKGSFYXATH-OAQYLSRUSA-N 517.413 5.735 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)C(=NOC(=O)[C@@]13CC[C@@](C(Br)Br)([C@H]1Br)C3(C)C)C2 1772721784 CWODUSGLWSUECA-LQVHWBJTSA-N 554.161 6.418 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749651 XBDMPKHMKARPHN-UHFFFAOYSA-N 545.561 6.848 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682171 HUHYZISNESEREW-SANMLTNESA-N 506.606 6.072 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682404 NRNLNHFENVPSHC-AREMUKBSSA-N 539.422 7.226 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OCC 1865691286 ONCQKWXJVYHXDH-RUZDIDTESA-N 507.034 6.274 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700963 IHXFCCCOQPGOKU-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1OC 1865701346 SRVLACFYUUKUSR-HSZRJFAPSA-N 516.960 5.626 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865706726 DFLBXZHQUSHJGW-GDLZYMKVSA-N 524.628 6.179 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(Cl)c1O 1865707361 VGRBNEYAGZMCJT-QFIPXVFZSA-N 519.388 5.838 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711280 UWAJOFZWOXUDPL-JOCHJYFZSA-N 515.397 5.376 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865715022 TUURJAMUMOTUSW-DEOSSOPVSA-N 527.422 5.896 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866967136 ABLADSCTDIDFFF-RRPNLBNLSA-N 533.625 5.430 50 10 KKGE CCC[C@@H](NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207546 JJSXRUKXTIFENY-IFMALSPDSA-N 532.504 6.084 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@@](C)(CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867222546 ZLBMEOOUFMYWSX-UHSQPCAPSA-N 536.097 6.757 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)c1 1868341908 CZCJKWVLHGADGV-LJAQVGFWSA-N 521.690 7.252 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433577 NXIMNWNIULFPGU-XMMPIXPASA-N 578.923 7.454 50 10 KKGE CN(CC(C)(C)c1ccccc1)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544460 GGLQPKOWWPVUMS-UHFFFAOYSA-N 521.734 8.172 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(Br)c1O 1872784701 WSYDEBYYKDLYFY-MKMNVTDBSA-N 506.219 6.504 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915279637 GRDDVIKDRZOXFZ-QGZVFWFLSA-N 504.181 5.492 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1Br 1922935519 QNWVQUYDPPPBLE-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCc1occc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924584216 VDMWQUMIQNLYDG-MRVPVSSYSA-N 507.867 6.675 50 10 KKGE C[C@@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924613437 RQEHWXLOINPPNN-IUYQGCFVSA-N 523.832 7.060 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCC1(F)F 2048972096 XHIACRSMZCVSSQ-GMSGAONNSA-N 531.880 7.297 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1cccc2ccccc12 2053624665 QMZYBJOGRXZLTK-UHFFFAOYSA-N 653.860 7.529 50 10 KKGE Cc1c(F)cc(CBr)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2059313906 CVJCTKJREVHOIB-UHFFFAOYSA-N 519.480 5.352 50 10 KKGE C[C@]1(F)C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500514 ZOPSWAZMZAYBCD-OAAKCYPXSA-N 572.730 7.311 50 10 KKGE CC1(C)CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141475065 ITIPNEHPIQMGPJ-QMMMGPOBSA-N 582.794 7.999 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(I)c(Br)c2)c1Br 2201066374 ZRUFFXHCMXMDFN-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(I)ccc2Br)c1Br 2201083303 YIIBNGAGCFOZPQ-HNNXBMFYSA-N 637.773 7.680 50 10 KKGE FC1(F)[C@@H]2[C@@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]21 2206394729 IWOYEFILMLIAEP-AADIBQIDSA-N 558.280 7.308 50 10 KKGE CC(C)C[C@@H](C(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394889 JXNGTSLDUFEMOQ-VFZGTOFNSA-N 554.386 8.335 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2OC[C@H]3CCCC[C@H]32)c1Br 2224951257 VABSUENKWMRHQR-JBBGHMQTSA-N 537.937 6.677 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2I)c(C)c1Br 2235611880 YDDIYFURTVEEGR-OAHLLOKOSA-N 572.904 7.226 50 10 KKGE CCc1cc([C@H](Br)c2cc(Br)c(Br)s2)sc1Br 2248049489 SUOOZRANXQIQRZ-VIFPVBQESA-N 523.935 7.144 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccoc1Br 2260073683 OPCUWMZHXFCODQ-MRVPVSSYSA-N 509.764 6.330 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(Br)c1Cl 2268256478 ZPKWXLQXHOWBPP-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2272726086 JNYRCVVDJKVRHA-VIFPVBQESA-N 523.795 5.470 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cccc(Br)c2Br)c1 2277963441 UTVQCBOMTZAICV-CYBMUJFWSA-N 576.746 7.415 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)c(Br)cc2F)c1Br 2282136066 NHJOYIQPYWDTMO-AWEZNQCLSA-N 533.830 7.045 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198228 LTZHCCLVMABVHU-HSZRJFAPSA-N 587.326 7.129 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1 2296506791 FNEXYJVYQFLUPB-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1 2296706752 ODUQNTPYQFHDLE-XMMPIXPASA-N 504.634 6.811 50 10 KKGE COc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1cccc(I)c1 2297534135 MHHWVQWMCVDIGG-UHFFFAOYSA-N 573.394 5.583 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521607 ZEGPEHFORABGFA-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 2313568500 TZHHXVKFWCDOPO-UHFFFAOYSA-N 521.842 7.264 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)sc2c1CC[C@@H](CC)C2 2314572348 YYEZNJKWUDYTPZ-MRXNPFEDSA-N 509.027 6.899 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591952 ILZDMLHLQBHVET-AREMUKBSSA-N 513.619 5.467 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593317 LESAEOUEALLULI-AREMUKBSSA-N 560.517 6.315 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)C(C)=C(C#N)C2=O)cc1OC 2314616699 HTUKDJYJJPIHPI-UHFFFAOYSA-N 510.546 5.001 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1F 2314617853 BWTYBMGJSRJNIZ-UHFFFAOYSA-N 542.611 5.486 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 2314634482 XNLGJVOFWZBMOM-MHZLTWQESA-N 529.434 6.584 50 10 KKGE CCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 2314737917 BVTJVCNLRNAZCU-UHFFFAOYSA-N 503.982 6.829 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c2ccccc2)cc1 2331286651 UKJATZUXIYJRME-UHFFFAOYSA-N 500.570 7.909 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331305363 UUTMEYFKPOCWJT-UHFFFAOYSA-N 507.571 5.955 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc6c(c5)OCO6)cs4)cc3C2=O)c1 2331333811 DBRBPSMKJFQJMK-UHFFFAOYSA-N 521.554 5.906 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331440433 RQYWBMIUETZNPO-UHFFFAOYSA-N 507.398 7.409 50 10 KKGE CCC=CCC=CCC=CCCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCC 2333314481 CCQKIQWPENGQHD-UUWRZZSWSA-N 609.376 10.731 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2C3)c1Br 2334325441 LHSKWPQARKMHTO-ZWADGADFSA-N 580.778 7.609 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1I 2340067815 GTJGQBWXNGXFRY-CQSZACIVSA-N 563.398 6.042 50 10 KKGE COC(C)(C)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2369557423 IZIRQYDRFNXWJB-LBPRGKRZSA-N 554.342 7.222 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)c2)CC1 29491656 WSCVGMKALCORRI-ZXVVBBHZSA-N 565.699 5.183 50 10 KKGE O=C(N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 33044148 NIAXPZFKROECGX-YFYMGYQCSA-N 500.562 5.046 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 33354893 NBZPSRAIPVCBPX-FFWKWCQCSA-N 598.681 5.365 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650941 UHBSMYNMFNGBNK-SSEXGKCCSA-N 522.988 6.285 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1cccc2ccccc12 58892132 VUTNENQCQMAWDP-LXVMRCOFSA-N 508.618 6.120 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl 58892470 ILWLCFANBBVRKF-RJNBOEKGSA-N 501.808 5.645 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc(C)c1 59305329 VZGNVRXEHWDOOA-FADJLKOXSA-N 529.640 7.113 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100209303 SXBURSUUZLFZNP-UHFFFAOYSA-N 601.361 5.084 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 100452116 BPJNYCKTRPCHAP-ZSYYNXLFSA-N 541.873 6.374 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246240 PSMCTLIFRVGPQX-UZEPBSNMSA-N 518.038 6.112 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101338028 IWUYIYPONRHMSR-AWSUPERCSA-N 631.758 5.549 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C2=O)cc1 101339983 IQGLVBPNEDFARO-MMQHPSSSSA-N 570.649 5.972 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379006 IJYILMAAMBCFHT-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381337 RTCWOTJQVNTSOQ-MQFAKOPTSA-N 615.513 7.726 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1 101383867 LCZJGPBRHPJWKY-PMERELPUSA-N 536.559 6.241 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)c(C)c2c1 101393806 HLKMABVVHPZUOI-PMERELPUSA-N 528.564 7.279 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 101395401 HLMFYVAMIRRAQB-LJAQVGFWSA-N 617.496 7.519 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(Cl)cc2)c1[N+](=O)[O-] 101479295 OTNQGDAMINEINA-UHFFFAOYSA-N 533.117 7.688 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cccc6ccc(C)nc56)c(C)c43)coc2c1 101620474 RVEPJPFJQXOFOQ-PPFNPFNJSA-N 535.600 6.426 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)N3CCOCC3)cc2OC)ccc1OCc1ccc(Cl)cc1 101826393 OWPQCGVBYBFOOG-KDBAOUOFSA-N 589.044 5.321 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc(F)c1 102140397 YYFGLKZHZSRNOA-SXGWCWSVSA-N 518.850 6.271 50 10 KKGE CC(C)c1ccc(N/C(SCCOc2ccc(Br)cc2)=C(\C#N)c2nc3ccccc3s2)cc1 102922739 CEFKZTWOPBRRJT-RWEWTDSWSA-N 550.547 8.299 50 10 KKGE CCOC(=O)O/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 102930041 ZKBZXONLPPXEAA-XAYXJRQQSA-N 532.394 6.915 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 103806166 WHTOWBXGEJJWNU-OKCVXOCRSA-N 588.070 7.025 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc(F)c1 103878328 HRZJVBLTKMUECB-KVSWJAHQSA-N 531.765 6.339 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929322 ZFWPGGRRXTVKCK-INYRYZQDSA-N 599.544 6.494 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1 110557677 LYLMZUDPEQOCAL-TURZUDJPSA-N 560.701 5.217 50 10 KKGE N#C/C(=C/c1cc(I)c(O)c(I)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 150383835 ZWRYSPJOEQJJFB-KMKOMSMNSA-N 625.056 7.096 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 150462859 MQVBAUPOSUFAQJ-YTTGMZPUSA-N 663.529 8.336 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccccc3I)cc2Br)c1 150636566 CAOXYCPWUGIWPE-ZDLGFXPLSA-N 652.124 7.249 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(C)cc1Br 161104115 CIJWNUDLVCKUHP-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@@H](CC)C2 209400054 OSWAONCPLKPCEH-VVZNPABPSA-N 519.579 6.154 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 214311851 TVFSSUUIXZYTTM-YUMHPJSZSA-N 529.600 5.434 50 10 KKGE O=C(/C=C\c1ccco1)Oc1ccc(Br)cc1C=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 252615792 JUYLFDUFVYXNQM-MXCOITSSSA-N 555.428 6.117 50 10 KKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(OC)cc1 254484379 MSKADZANNODBAY-UHFFFAOYSA-N 588.252 5.768 50 10 KKGE CC(C)c1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254704968 UTUYQMDUPXNYLY-UHFFFAOYSA-N 544.655 6.771 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616585007 PCZQXTNZMYPBGI-NDEPHWFRSA-N 526.914 8.246 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2Br)cc1Br 692439760 LHZLUQZFEUOJBR-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817673 XIJUVZWMRLQMRZ-KMPOEOCUSA-N 834.994 7.822 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1Cl 1083968652 KZUCHXDJPAHIIH-UHFFFAOYSA-N 520.010 6.005 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084001074 GKHOOTOWMDAVHJ-GIJQJNRQSA-N 584.668 8.293 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084027934 KVFDZGFDQFRIHK-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 1084034159 VXMKRCKMIQETGD-UHFFFAOYSA-N 561.413 5.336 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccccc2Cl)cc1 1084154668 ATZHPJYRQQLQAM-UHFFFAOYSA-N 520.032 7.449 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1084203449 YNDRZNLPYXJJHG-UHFFFAOYSA-N 628.150 6.735 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084205520 HXGBRZWFRSVENG-PMERELPUSA-N 577.537 6.939 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084293914 XZEXGQRGWDMNNI-UHFFFAOYSA-N 535.069 5.478 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 1084491692 QVYQKOBGHNPMEK-UHFFFAOYSA-N 529.596 6.524 50 10 KKGE CSc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084542734 IUNHKXRJJXOJIY-UHFFFAOYSA-N 542.004 5.426 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)c1 1772747312 MXTDCVVDDVIPFI-UHFFFAOYSA-N 548.393 5.597 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865687446 RJYOBTFLFLTDKB-MGBGTMOVSA-N 576.656 7.498 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 1865688222 NJLVVSHCNLQULK-AREMUKBSSA-N 576.575 6.404 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688566 VGIADPMSMIZIRC-GDLZYMKVSA-N 538.623 5.871 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865689155 LHHSXMWXGAEWRU-NDEPHWFRSA-N 527.024 6.338 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865689597 UBKTYFBYRVGEEQ-NDEPHWFRSA-N 561.469 6.661 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865690064 HXLRYVQXCGDCFV-PMERELPUSA-N 542.639 7.098 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696444 MXXSZFBDKVKAFM-DEOSSOPVSA-N 527.452 6.537 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702844 GMANMZCMCQVJBI-RUZDIDTESA-N 517.416 6.539 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703802 GCKMIQCEFVGLNH-MGBGTMOVSA-N 554.694 7.451 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865704771 DIDRMPASQNNZCV-QHCPKHFHSA-N 546.505 5.646 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865705461 WIKJOYFEZQHKOD-SANMLTNESA-N 526.980 5.339 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706619 AVLUWZOHCHLLBR-QHCPKHFHSA-N 567.404 5.985 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 1865708793 GFEXZDHLMKVKOD-SSEXGKCCSA-N 577.685 5.793 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 1866599018 TWWYPBGIBRYHOP-MUUNZHRXSA-N 586.783 6.028 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866676037 RLVMROUDNDXDCF-AREMUKBSSA-N 526.618 5.141 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866741456 MZVHZYRQWWTBSS-JSOSNVBQSA-N 571.743 6.804 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867213069 MEBOVWDSDBGNNE-RPBOFIJWSA-N 567.708 5.815 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)CC2 1868206972 AZLDNQVWVJNHFP-UMSFTDKQSA-N 555.707 7.545 50 10 KKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456470 POQADPUBYOXJLA-UHFFFAOYSA-N 504.594 7.150 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 1872754380 QCXMIDFCXBUDJC-NKFKGCMQSA-N 519.450 7.653 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCC)c(OCC)c3)n2)cc1 1872791192 AVPBHDUSEDWIPK-NCELDCMTSA-N 504.696 8.411 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(Br)cc1Br 1905344462 VIIKXQJGNFKYHE-ZDUSSCGKSA-N 516.027 5.204 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 1923048768 IUFXJHRUPNSAMM-QMMMGPOBSA-N 511.863 7.465 50 10 KKGE Fc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1F 1923049410 LICQMLKDOMXFCQ-ZETCQYMHSA-N 515.826 7.342 50 10 KKGE Clc1ccc(I)c([C@@H](Br)Cc2ccncc2Br)c1 1924054396 ZVLKFYLTFBIFKB-NSHDSACASA-N 501.387 5.781 50 10 KKGE CC1(C)CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924571450 RTONOVAZMDKFDI-SVRRBLITSA-N 509.927 7.298 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924605885 YGCOQGFSZSAUFP-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE COc1cc(-c2cc(C(=O)NN=C3C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3n2)cc(OC)c1OC 2069682108 QEAXNRRMKFEIGC-SSEXGKCCSA-N 559.622 6.586 50 10 KKGE COC1(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085500485 OMWFJXNQPJUFAQ-QMMMGPOBSA-N 570.739 6.742 50 10 KKGE Cl[C@H](c1ccc2nsnc2c1)c1c(Br)sc(Br)c1Br 2120651579 PGSALJAPMUTUKP-SECBINFHSA-N 503.466 6.369 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468908 PAPCWVNHBAITQP-SNVBAGLBSA-N 645.607 6.717 50 10 KKGE CC1(C)CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473219 MNNVCIVLNDJICI-WRWORJQWSA-N 582.794 7.999 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1Br)C1CCCCC1 2148681405 JDQGMAQIUFHQFY-UHFFFAOYSA-N 531.952 7.111 50 10 KKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1cc(I)ccc1Br 2155823006 GDUWSUQFNTXUDF-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE CC1(C)CO[C@@H](C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394497 HJBPJJGIJDWFAQ-OIBJUYFYSA-N 554.342 7.222 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1sc(Br)c(C)c1Br 2213771922 FANYOFBECFCNQO-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2csc(I)c2)c(C)c1Br 2220154317 KADGYHGMQWNRMO-CYBMUJFWSA-N 520.455 6.823 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc(C)c1Br 2227422325 SBXJKSUXRGFBHV-LLVKDONJSA-N 552.351 7.743 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc([C@@H]2CCOC2)s1 2240427924 XMKWKVZXNSYAKE-PSLIRLAXSA-N 528.047 6.103 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2241002213 UIBAXVCKUQTJJM-INIZCTEOSA-N 510.007 6.245 50 10 KKGE CS(=O)(=O)C1CC([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2257529005 WNSMFLUJQFTXLJ-QIYZCZBYSA-N 501.487 5.186 50 10 KKGE FC1(F)CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2277735077 RGWGJJLGOZVDTJ-SSDLBLMSSA-N 590.720 7.608 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198359 ZNOWBQSAGQMQFQ-QHCPKHFHSA-N 526.420 5.875 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 2294156168 WVMZMMHLTDCQEI-UHFFFAOYSA-N 512.993 7.025 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(C)sc1Br 2295265698 UQYNWVLNXPCTKL-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE COc1cc(C)c(Cl)cc1[C@H](Br)c1cc(I)ccc1Br 2295300015 XHHFITYZVMLPHI-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2296506964 NLDGPVGMFYDRPS-DEOSSOPVSA-N 532.021 5.582 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2297533953 JXAYXLLVIMZVJC-UHFFFAOYSA-N 517.796 6.876 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Cl 2313521605 ZDXUVHLPHYNSRK-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Br)c1 2314533102 OOYBQOHTAKHBQP-UHFFFAOYSA-N 501.340 5.103 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592113 MCDFPYALUGGFGB-XMMPIXPASA-N 538.456 6.375 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592195 NPIWKAKZIPKHEV-VWLOTQADSA-N 502.039 6.276 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617929 DEWKFGJUHONJHW-QFIPXVFZSA-N 514.585 5.901 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)C(C)=C(C#N)C2=O)cc1 2314620344 NRKCBDOVVREYMK-UHFFFAOYSA-N 558.638 5.700 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 2314634610 OOSRXHXOCYPTPI-YTTGMZPUSA-N 565.025 6.765 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OC)c(Br)c1 2314753816 GIYXPZKSBULYRE-UHFFFAOYSA-N 551.393 5.292 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Br)c2)sc(C(=O)OCc2ccccc2)c1C 2329699401 PMHDGPPYCSXSNP-UHFFFAOYSA-N 553.434 5.898 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331311807 AHFDGLIKSQOZSI-YEJXKQKISA-N 512.418 6.620 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c2ccccc12 2331406364 DEJVTZSSTWDSKK-VWLOTQADSA-N 509.587 6.085 50 10 KKGE COC(=O)c1c(NC(=O)C=Cc2ccc(OCc3ccccc3Cl)cc2)sc(C(C)=CC#N)c1C 2331560333 QJWUTJXBRYVQPM-UHFFFAOYSA-N 507.011 6.654 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2336038416 NKCFQTHJNMXLJK-FQEVSTJZSA-N 559.523 8.076 50 10 KKGE Clc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c(I)c1 2340045624 JRYBCNHBWYNZMK-CYBMUJFWSA-N 534.844 6.992 50 10 KKGE Brc1cc(CO[C@@H](CI)c2ccccc2)ccc1I 2350069528 ZOMHKBWPOUJMAO-HNNXBMFYSA-N 542.980 5.747 50 10 KKGE Cc1c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)nn(C)c1Br 2362230212 YCXSPOPCROZQPR-VIFPVBQESA-N 554.277 6.293 50 10 KKGE CCOc1cc(/C=N/NC(=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 8402995 SPQPMRBKPHFIQU-VTNSRFBWSA-N 550.442 6.603 50 10 KKGE COc1ccc(/C=N\NC(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2-c2ccccc2)cc1 33358643 GBLHJQNISDJDQQ-UHBFCERESA-N 540.670 5.674 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCC2 33567665 GSPHFJUCOVPQRM-RVDMUPIBSA-N 515.418 6.916 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 58894014 ABVSQABSOLTDGX-VJRIHLSISA-N 512.606 5.790 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(I)cc2)cc1 59304816 DGBRJPKZZCFNIZ-WPWMEQJKSA-N 505.359 5.821 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914722 MBWZDVDHFPDSQB-XTMOMDIJSA-N 535.512 6.141 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 100173263 AOPMLWNDFGMONK-UHFFFAOYSA-N 568.537 5.876 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 101338987 AUQMADLZGLLGRX-ZTKZIYFRSA-N 534.660 6.643 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379953 JHSQFIHVVAVORH-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387371 BEXGWMZMQPHTIP-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396884 CQZUUJSDDRRWRX-HHHXNRCGSA-N 573.443 7.120 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)oc2ccc(F)cc12 101398701 RWRBKVDZCBDRJE-SSEXGKCCSA-N 564.544 7.036 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 101405970 FEMPJJYNKBAVBI-QLTNSANVSA-N 583.449 5.179 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Cl)c1 101726988 QAAGNELYSOVGDS-CCVNUDIWSA-N 524.067 6.294 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Br)cc1C(C)C 101751322 DXCFEEQOASJPAL-CIAFOILYSA-N 581.463 6.080 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103882814 OEAOFRUZNWXKSJ-HYARGMPZSA-N 546.421 5.013 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1 103887645 FGAKTNYSNNRFQJ-UNOMPAQXSA-N 573.228 6.487 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 104424676 AMULPBFJOFVMMA-JOCHJYFZSA-N 559.139 6.168 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921102 MYCARRQNTBVVPF-QUYUYDMXSA-N 521.295 9.920 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433836 UYYJCMJIHMPBGR-GDLZYMKVSA-N 712.438 9.930 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccc(Br)cc12 150483383 KHYZNPHJHFXGKD-PMERELPUSA-N 641.905 8.174 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 163409105 SZFRYHRZKFLDHB-ZBQQXIERSA-N 670.580 7.209 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 205665408 IZQXDSIUDQHTNN-ZYRHXEBESA-N 500.554 6.103 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214286191 DDZASERGJYHIPP-VEILYXNESA-N 562.601 5.496 50 10 KKGE CN1C(=O)C2=C[C@@H](Cl)c3c4c5c6c(cc(Cl)c5c5c(Cl)cc(c2c35)C1=O)C(=O)N(C)C(=O)[C@@H]6C=C4Cl 215869960 KOMGUSIHEVWNBZ-FUXBKTLASA-N 558.204 5.878 50 10 KKGE COC(=O)c1cc(C)c(NC(=O)c2cc(N3CCC[C@H](CO[Si](C)(C)C(C)(C)C)C3)ccc2C)c(C)c1 216497216 HTYRGKAHTWHATB-QHCPKHFHSA-N 524.778 6.889 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)c(Br)c1 232482693 VNLKMKWEXLBGGX-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1Cl 236047234 IWQIDQIQWWTCEF-NSHDSACASA-N 534.844 7.039 50 10 KKGE COc1cc(C(=O)OC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)cc(OC)c1OC 253532018 KHUBONOYDWHKJY-GWAUSMPVSA-N 586.766 5.803 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254291929 RVDKWYJDBBJASJ-GAYNXCHWSA-N 562.493 5.881 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 254440319 NGAYWCWCCKRATF-UHFFFAOYSA-N 514.758 8.779 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)NN=Cc2ccccc2F)n1-c1ccccc1 254569060 JDNHKOLPQMWEKS-UHFFFAOYSA-N 509.010 5.223 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2-c2ccccc2)cc1OC 254821297 XHHAOLIMHNWIDC-VIXYBJQKSA-N 534.041 5.426 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 606508754 HAYVDHBKYABBBI-ULGIKFSKSA-N 645.174 11.764 50 10 KKGE COC(=O)[C@]1(CCOCc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654299 OCCPPDNJVIHZIF-IRPSRAIASA-N 527.734 5.938 50 10 KKGE CCC(CC)N(CCBr)C(=O)c1ccc(I)c(Br)c1 721512453 XKLNBMLPVNRRHB-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE Cc1sc([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 721594777 RUXFBTADHVVPAD-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)ccc1I 721607648 CIKKVGLLEFKWCV-OAHLLOKOSA-N 572.860 6.235 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 725237355 FEAMWRDAYZEWNS-SSEXGKCCSA-N 612.117 7.014 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 725380337 RDOREYALICYCHG-JOCHJYFZSA-N 501.808 5.645 50 10 KKGE CC[C@H](Oc1ccc(Br)cc1C=NNC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)O 1081159596 OWOVKJIDZSPCJM-KRWDZBQOSA-N 618.890 5.110 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817647 WUUPISRMPWBNRI-NOVQDUAKSA-N 744.913 6.611 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 1083920363 ZVYRDBPJHFXTQJ-UHFFFAOYSA-N 627.992 5.894 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 1084038836 GZWMLTWFYUDNEI-UHFFFAOYSA-N 613.965 5.851 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1 1084063911 DNOBVWMIPZSXNT-RUZDIDTESA-N 602.469 5.550 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(I)cc1)c1cc2cc(Br)ccc2o1 1084199380 MNLBKAIFSUCUSX-UHFFFAOYSA-N 654.096 6.905 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)O 1084299641 UKYDBCUOVWBHJW-UHFFFAOYSA-N 609.420 5.293 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 1084302558 DJDONYOAISPQMC-VWLOTQADSA-N 511.018 5.599 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(Cl)cc2C)cc1 1084404431 RTRMSRCCGIIETO-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084591930 HQJQTIMRWJNMLJ-XMMPIXPASA-N 556.413 5.299 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc(-n5c(C)ccc5C)cc4)c3C)sc3c2CCCC3)cc1 1084618369 ULKNOFTWCCAEQU-UHFFFAOYSA-N 603.792 7.767 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 1614615092 LKRMBVJDPZCMCF-RISCZKNCSA-N 523.255 6.110 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)c([N+](=O)[O-])c2)C1 1614623650 QYXNBTZBKNEMDI-HOTGVXAUSA-N 545.171 5.145 50 10 KKGE CNC(=S)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 1774020814 BWTOQVAVHCPYRY-NWTPWJDUSA-N 535.798 6.052 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688038 HDLREZZPPIXRRI-PMERELPUSA-N 534.660 6.388 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865689073 JHBCOIRNERGGCX-NDEPHWFRSA-N 561.469 6.992 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696740 QSKPABCQVNNGQI-LJQANCHMSA-N 520.214 5.487 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)cc1 1865702382 UNEHYEIUGLEQEJ-JOCHJYFZSA-N 501.359 5.968 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704057 LRXGMOIHBDITOC-SSEXGKCCSA-N 512.613 6.444 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706413 WELHNPPZNDOFAQ-QHCPKHFHSA-N 535.387 5.787 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712241 SUUHSBLURGSNON-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865712331 VVHSHPPWJCQQEB-QHCPKHFHSA-N 527.924 5.090 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 1866599019 TWWYPBGIBRYHOP-NDEPHWFRSA-N 586.783 6.028 50 10 KKGE C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866942674 RIIUCZBAXVCQLO-HXOBKFHXSA-N 508.441 5.492 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(Cl)cc1 1872728732 QCFKDIBMFXFGFR-UDWIEESQSA-N 515.953 5.817 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)ccc2F)c1Br 1922897738 PKIHFBGOHBAUEE-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2sccc2I)c1Br 1922934209 DFJPPYRJGRWTJC-ZETCQYMHSA-N 556.908 6.732 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(I)ccc1Br 1923054561 HDPVZSRHKBISNE-QMMMGPOBSA-N 605.742 7.622 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1Br 1924041998 YGAWXBAOHZCDTG-RTHLEPHNSA-N 512.865 6.609 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1Br 1924614548 PHVTZQSXNHIXBY-DNRKLUKYSA-N 549.992 8.078 50 10 KKGE Clc1sc(Cl)c([C@@H](Cl)c2cc(Br)ccc2I)c1Cl 1925587639 LCZANRKNQBSJJP-QMMMGPOBSA-N 516.840 7.404 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC3(CC3)CO2)c1Br 2001645552 CTQZFDPFRZLLGY-IYSWYEEDSA-N 509.883 6.041 50 10 KKGE Cc1nc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 2003569033 MKBMVWILQLJHEY-BYPYZUCNSA-N 589.792 7.047 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2CCC2)c1Br 2025779967 NLQWDCOPYSJNMC-SSDOTTSWSA-N 554.740 7.363 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1OCc1ccccc1 2042447166 CFFBCJFRZUHQQF-UHFFFAOYSA-N 588.310 8.417 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 2109668994 DNOOCZAMEPFOTB-SECBINFHSA-N 509.872 7.073 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)cc2Br)c1Br 2138856284 ZTEPOUDWFVXPIB-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1I 2141467847 CTZQNGUWJRBCHP-SNVBAGLBSA-N 648.156 6.403 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCOC1 2141470455 HFIYRADGGMGWKQ-CHWSQXEVSA-N 540.315 6.833 50 10 KKGE FC1(F)[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141471533 SNOXURKKRPHUCS-UWVGGRQHSA-N 544.253 7.062 50 10 KKGE COc1ccc(Oc2c(CBr)ccc(Br)c2Cl)cc1I 2154372912 IVBMHLQVKXPGMN-UHFFFAOYSA-N 532.397 6.403 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2154374984 BLJIZPJBZSMWPI-OAQYLSRUSA-N 514.689 5.479 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cc(Br)ccc1Br 2175141189 CYBZZERXZAOMAI-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)s1 2233020210 JWFMTKQHYSPZPL-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(F)cccc1I 2267731032 DSDOULDTFZTYJJ-CYBMUJFWSA-N 566.803 6.579 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1c(F)cccc1I 2282784813 PNEARWGEBIUYBX-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)c(C)c1F 2282887293 DAQXLOBTBOMJCQ-CQSZACIVSA-N 515.961 6.433 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1Cl 2283556835 AQZYOXZQLKVKJI-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(F)cc2Cl)cc1Br 2285986750 ZTPLQAKUOQWTGN-AWEZNQCLSA-N 505.834 7.403 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cscc2S(C)(=O)=O)cc1Br 2288500407 GUJKNWLLUMJVPK-ZDUSSCGKSA-N 503.075 5.469 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCO)C[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CC[C@@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819200 YXNUEBDKPRQSQF-UYKFBDOWSA-N 701.282 13.038 50 10 KKGE COc1c(C)cc(C)cc1[C@H](Br)c1ccc(Br)cc1I 2295367560 LKNYLKPZUIOWOA-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2296709436 NUQCGXPIIBIAEK-UHFFFAOYSA-N 517.416 6.468 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790255 ZVBOBPMDGLSPLR-IBGZPJMESA-N 521.708 7.184 50 10 KKGE N#CC(=Cc1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 2296791884 GJLZGBNGVPBMJT-JOCHJYFZSA-N 551.672 5.396 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 2313671280 YHURLBRYYQHMIS-UHFFFAOYSA-N 508.328 5.491 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C1 2314476402 NWTWZXVUYKMJET-ZRZAMGCNSA-N 621.184 6.198 50 10 KKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1 2314532577 LOEANONHGYQQJW-UHFFFAOYSA-N 520.467 5.368 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592287 PVBQWJYWPLAESM-VWLOTQADSA-N 546.490 6.439 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 2314618314 LFBSPNHTQJEKMM-UHFFFAOYSA-N 524.621 5.347 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314620325 NAHYWDOMHNMJQU-UHFFFAOYSA-N 563.013 5.756 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314634333 FDKUAOWTORUMLY-RUZDIDTESA-N 537.797 5.948 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 2314751037 MPPRXKURXQGMCL-UHFFFAOYSA-N 500.551 5.157 50 10 KKGE N#CC(=Cc1ccc(Cl)cc1)C(=O)Nc1c(Br)cc(Br)cc1Br 2329652791 JMLAZTIUZVCNKN-UHFFFAOYSA-N 519.418 6.173 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1C 2331259228 CLLUCTKUMJKQPG-UHFFFAOYSA-N 521.598 6.494 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1OC 2331331649 ZNCKZKZREVMABH-UHFFFAOYSA-N 507.612 5.356 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464387 IXTFJMLARNZTCQ-UHFFFAOYSA-N 521.041 8.899 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCc1ccc(C)cc1 2331473220 JXUMFEDSGJVWQR-UHFFFAOYSA-N 512.631 7.178 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2sc(Cl)cc2I)c1 2341116655 MIIRVCOPPBISJM-JTQLQIEISA-N 510.449 7.382 50 10 KKGE Clc1nccc(OCc2cc(I)ccc2Br)c1CBr 2344715732 NGLOROPRPMTHAN-UHFFFAOYSA-N 517.386 5.576 50 10 KKGE Brc1ccccc1[C@H](CI)OCc1c(Br)cccc1Br 2366144432 FKTBCSKGSJZWDT-HNNXBMFYSA-N 574.876 6.667 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2-c2ccc(OC)cc2)cc1 1889050 NZOVJQPBVRJNLQ-FJEPWZHXSA-N 541.555 5.213 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1 8448732 BDTPACHQOZSPKC-RTWAWAEBSA-N 509.400 5.813 50 10 KKGE CC(C)c1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 12491294 RRJJAWCHNWPULY-BRJLIKDPSA-N 504.222 6.017 50 10 KKGE N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33353047 GPCOWIQVZADRGS-AUWJEWJLSA-N 514.198 6.506 50 10 KKGE Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(/C=C(/C#N)c4nnc5n4CCCCC5)cc3)cc12 35263201 YXZXMZLZIPGXSU-PGMHBOJBSA-N 520.618 5.997 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651807 MSRAUHUUHHMOEC-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 38686888 WQPLTYBPEHKRMR-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1 58893275 MEQSWHWHOFMEAT-GEAYPNMPSA-N 516.638 5.755 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 59432832 QVFGVIMSPRFSFJ-VCHYOVAHSA-N 516.222 7.189 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1 59433098 AJAGVNAVOAWWBL-RGVLZGJSSA-N 518.367 5.463 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)c(Br)c1 100287050 UDTPDWGZQMZPLA-UHFFFAOYSA-N 542.268 5.064 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 101246854 JZUGLGALBZKXQZ-KVILUOORSA-N 518.038 6.030 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101295959 APGPDQNMEPNIGI-XMMPIXPASA-N 549.435 7.210 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101336214 OJNXFMCUDHIGIT-UZWMFBFFSA-N 621.137 7.179 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337755 JNHCYPFIXVLWPE-JEZFPDEOSA-N 556.666 7.072 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 101341090 WWCRUBZUNPVSCO-LQKURTRISA-N 552.631 5.038 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101341361 YMZIJVFCVGNLNX-AJBULDERSA-N 586.648 5.664 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 101367326 GYDWYMQGKMYEQT-LPYOBDFFSA-N 544.607 6.420 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 101374055 CXRHOVURVVUJBV-WJOKGBTCSA-N 542.632 6.084 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 101374807 XOTQWNAYTSWBTO-SSEXGKCCSA-N 563.050 6.510 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1 101383864 LCZJGPBRHPJWKY-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385931 CKAFKFRMJJFPEX-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)c(C)c2cc1Cl 101391512 DWVDLIMIBQCZQY-DEOSSOPVSA-N 549.808 6.903 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101395629 FKEZERYGVCUEEN-NDEPHWFRSA-N 623.558 8.613 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)ccc6c5C)ccc43)cc2)cc1 101397430 UMBDNUNFQDBWCW-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101397735 WUXRRVZHNOHSJY-MHZLTWQESA-N 617.485 8.364 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2c1C 101398027 FDHLSCKUWHRVRP-HKBQPEDESA-N 625.508 8.681 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398105 KKBYHUYLFBMHOK-PMERELPUSA-N 601.486 7.799 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)c(OC)c3)c(C)c2c1 101399543 NUWTWLISAXVNBC-MGBGTMOVSA-N 604.634 7.468 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618808 VQHNNYBHWDMHPN-FDEZRRJOSA-N 542.639 6.449 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2-c2ccccc2)cc1 101710812 ONQVRAXFTWQVFH-SNCSUOKWSA-N 587.679 8.687 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1c(Cl)ccc(Cl)c1Cl 102006886 JKSCRWFSTLBTOP-LUOAPIJWSA-N 519.841 6.345 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(OC)cc1 102932827 GOWCZHYOYLFMEB-YVLHZVERSA-N 600.809 6.183 50 10 KKGE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)NNC(=O)COc1ccc(Cl)cc1Cl 103349893 JDUJNDUJAFNCOD-REZTVBANSA-N 579.314 5.118 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 103649472 FBRIWUSWHXRPRS-NDENLUEZSA-N 578.056 7.919 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151484 YUTRHHICGOZAGB-KVAAJVFYSA-N 565.102 6.869 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 109557453 WJQQTPCXGQDDKQ-SSZFMOIBSA-N 564.695 6.157 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118920988 VOXJHJRLIGNTTG-SFRJMERHSA-N 644.722 9.986 50 10 KKGE N#C/C(=C(/C#N)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1 150375292 JIFCBAJUTLIKAJ-XVIFHXHVSA-N 664.812 12.891 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCc1ccccc1 150411318 NQIFANSWXFUNDM-YWBLTOQVSA-N 680.786 6.343 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150421789 XGGZLEPEYJFPRW-UHFFFAOYSA-N 677.187 6.589 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 150497533 IFKLFIGQRBFDOJ-AJBULDERSA-N 651.119 5.944 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Cl)cc1 163797280 OZSBHQMSCVAKRC-FDALDRLYSA-N 689.981 8.452 50 10 KKGE CC[C@H](C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 169682106 MYLPOKATQGVMSF-WKLGMLAPSA-N 644.617 10.347 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 197623683 XNGVHASWYGAQOO-YBFXNURJSA-N 571.327 6.149 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 198739555 QJPAYFWIHJBLBN-QCFMCPCVSA-N 608.625 7.569 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OC)cc1OC 207200528 NGAIHHBPPATOFG-JWGURIENSA-N 550.652 7.163 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214240930 WNHFLIWIBMEXRC-CEUNXORHSA-N 550.703 7.055 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214323130 DXPDUOOSNRYDSZ-OZVJIIIZSA-N 522.605 5.099 50 10 KKGE C/C(=C/C[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)C(C)(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 248194684 OCGGWJZENCFVKE-VOAIGTGHSA-N 952.782 16.812 50 10 KKGE COc1cc(C(=O)OC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4C[C@@H](O)[C@@]23C)cc(OC)c1OC 253532019 KHUBONOYDWHKJY-MBXCNMCWSA-N 586.766 5.803 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254614668 SQFUSWYJOWQKSN-UHFFFAOYSA-N 577.758 6.585 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cccc([N+](=O)[O-])c4)S(=O)(=O)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 254742756 SKHFGGLUJKSTAS-WQDXIGEJSA-N 679.755 5.944 50 10 KKGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254843368 OHVRRVMCUIUNPQ-UHFFFAOYSA-N 552.494 5.546 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccc(-c2ccccc2)cc1 263632215 PKSMDXJGBITKKJ-UHFFFAOYSA-N 550.709 6.235 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586870 HODUUTHQNQITGS-ZIRFRPFDSA-N 779.062 9.261 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](c3cn(C)c(=O)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642887214 ZDZLHJPETUXZJT-GFNLZKBZSA-N 875.089 9.003 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721589884 VNVHBGVTOBRYAF-CQSZACIVSA-N 534.388 6.292 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1cccc(Cl)c1Cl 725429379 APEYISBMNLPINI-UHFFFAOYSA-N 560.529 6.487 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1cccc(I)c1 725438574 AECMTZFJHMHQDL-UHFFFAOYSA-N 657.961 6.803 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1O[C@@H]1[C@H](CC[C@@H]3Cc4cccc(P(c5ccccc5C)c5ccccc5C)c4O[C@H]31)C2 888084726 IGTZUTKXXMKKNV-HIEUYNPZSA-N 716.842 8.770 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3[N+](=O)[O-])sc2c1 1084010410 HTMJWDBSCKLEDF-UHFFFAOYSA-N 626.723 6.515 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1084249493 DPVVDNSRMDNANZ-VXKWHMMOSA-N 607.758 6.846 50 10 KKGE CSc1ccc(C=NNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084310486 FTJJYYBTOLRAMG-UHFFFAOYSA-N 502.061 5.024 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1 1084374490 HUOHMGIBVFUXQG-UHFFFAOYSA-N 606.654 6.683 50 10 KKGE C[C@@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084456253 VFSRQZDPRUQDOE-JOCHJYFZSA-N 505.643 5.965 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 1084525871 KLMGZRLPLYXMCS-QFIPXVFZSA-N 536.253 6.299 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 1084536913 DVEGXUZQUHQDGV-UHFFFAOYSA-N 500.382 5.287 50 10 KKGE Cc1nn(-c2ccccc2)c(O)c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084572192 BZIIRBPBJUGQAO-UHFFFAOYSA-N 562.286 5.075 50 10 KKGE CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 1614653236 WGMUGUOQGRBKBA-VNGAGHNVSA-N 511.647 5.561 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5C(F)(F)F)c(C)c43)coc2c1C 1772752220 ZQPCSTZISUHCLX-UHFFFAOYSA-N 537.538 6.621 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OCC 1865686771 AEORILCANWYNPJ-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686817 BOEYZPPHDJFSHK-MHZLTWQESA-N 510.569 5.439 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687837 BERCMGBPXHHSCS-SSEXGKCCSA-N 569.105 7.042 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689625 UPLDEHCCKYZRKY-QHCPKHFHSA-N 537.378 5.977 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865696989 MMAMWHJAIDTBDH-MHZLTWQESA-N 500.643 5.906 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699385 SHLSWLDQFZMXOB-SANMLTNESA-N 505.553 5.456 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865702760 DSJVALGVNKXACJ-HHHXNRCGSA-N 506.606 5.922 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702872 HGHPUCUIAQFLKD-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OCc2cccc(C)c2)cc1 1865705769 FJVHNTVZADYFOJ-XMMPIXPASA-N 562.548 6.014 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706719 DCRGASCUIHLEME-QHCPKHFHSA-N 514.969 5.442 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1 1865706973 KGNVAHQWWSMKAU-SANMLTNESA-N 543.593 6.503 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@H]2C(C)C)n1 1868253533 KRLFPBWQEMRAEX-MUUNZHRXSA-N 519.671 5.759 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)n2)cc1 1868527682 GBCICPNUFQHRFY-QFIPXVFZSA-N 537.645 6.582 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2cc(I)sn2)s1 1909889735 UKSMCXYIROONMD-ZETCQYMHSA-N 543.869 5.819 50 10 KKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569608 XRDSZRZRFBZQGH-POYBYMJQSA-N 543.891 7.297 50 10 KKGE Clc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924570164 FZBFCUPUEZPYGW-BYPYZUCNSA-N 564.771 7.888 50 10 KKGE Cc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1C 1924596907 VLGJKUKXYNWIKR-SNVBAGLBSA-N 531.933 7.331 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1csc(Br)c1Br 1925546745 QSMNUXRXYNCRND-BYPYZUCNSA-N 564.771 7.888 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(I)c(Br)c1 1925559563 CFMRZXBTPKJJFD-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE F[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984586448 QSBZEGZVTBWXEP-ZAFYKAAXSA-N 513.768 6.372 50 10 KKGE N#CC(=Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(F)c(F)c3)cc2)cc1 2053614777 KDVVXGWQOYOZKY-UHFFFAOYSA-N 630.579 6.167 50 10 KKGE O=S1(=O)CC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498730 CMOIGKHGPXZOQA-WKEGUHRASA-N 590.751 5.360 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(Br)cc1I 2086139508 PLSORPZNFFHPSW-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2206405668 OFFCJOGQCMLBEX-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206409135 OBXPOLKTVAHPET-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE Brc1sc([C@@H]2CN(C3CC3)C[C@@H]2Br)c(Br)c1Br 2216417266 FDWGXIKWHWBZIE-RQJHMYQMSA-N 508.899 5.361 50 10 KKGE Clc1csc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Cl 2224324473 VNNLQJHEASDXMI-SSDOTTSWSA-N 504.285 8.262 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2233975734 LNEPWLCBUWHLRL-CYBMUJFWSA-N 533.830 7.045 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)cc1C 2236024773 OOUVDFNREIVYFB-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Fc1cc(F)c([C@H](Br)c2c(Br)cccc2Br)c(F)c1Br 2236110866 RUSOKKLHUFJDFN-GFCCVEGCSA-N 537.793 6.876 50 10 KKGE COc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1I 2285011036 PSSOHTYTOWVTQP-LBPRGKRZSA-N 530.425 6.394 50 10 KKGE COc1cccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1 2297308480 ADTHHTAUXQSQSH-UHFFFAOYSA-N 500.396 6.315 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1 2313521590 YBXTVMUZMKXYSZ-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313567855 MKZPKNBPJMOGAZ-UHFFFAOYSA-N 522.355 5.799 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 2313631179 LTMUKISCMXCHSN-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314450070 VTRONBFIEJMAAV-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)Cc2ccccc2I)c1 2314454026 BTHNTVVKYRHGFZ-IBGZPJMESA-N 572.078 7.311 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl 2314475958 GHPAUBMQHAONAW-UHFFFAOYSA-N 532.065 7.018 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593047 GLMBXHRSHPFDMP-DWXRJYCRSA-N 550.511 6.859 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593736 SDQOFPRSHVZNGY-HSZRJFAPSA-N 536.451 5.402 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccc(Cl)cc1 2331417198 XQORSKFSUHEMRJ-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE CC1(C)COC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336200710 NEIWIUUVSLSHFJ-INWYIAFRSA-N 540.315 6.689 50 10 KKGE FC1CC2(C1)CC(CBr)(Cc1ccc(I)c(Br)c1)C2 2349838852 DRONBDFDTJTRLN-UHFFFAOYSA-N 502.003 5.890 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1Cl 2365186207 OCNDMQPTBZSTKI-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)sc2Br)c1Br 2365189928 ZRSRNFVFYVXMBS-JTQLQIEISA-N 612.801 7.599 50 10 KKGE FC1(F)CC2(C1)CC(CBr)(Cc1ccc(I)c(Br)c1)C2 2377359405 GOQNMSHMEZOBKI-UHFFFAOYSA-N 519.993 6.187 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 1195812 USQQROAJYDSRCD-YBFXNURJSA-N 537.366 5.289 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2Br)c2ccccc12 12483076 OXJANKNKTAXLPR-BHGWPJFGSA-N 506.194 5.211 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1Br 12492730 SEMLVDXDDSGGMY-UHFFFAOYSA-N 515.235 5.233 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N1CCCCC1 19928896 YBPYZQSRJXJPRA-NCELDCMTSA-N 506.581 6.177 50 10 KKGE N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 33339805 HJYRMIVKPKSCST-QNGOZBTKSA-N 505.559 6.132 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 35131366 RJJSDZXBCKTZFF-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1 35519263 YBDKNCYSGROFMI-HAVVHWLPSA-N 515.041 8.534 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38659655 OGUMMPQAESGHIJ-WRHNGFHOSA-N 514.578 5.247 50 10 KKGE CCCCOc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40620096 QCAZROVJPLVJGR-UHFFFAOYSA-N 521.361 5.136 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)[C@@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc(C)c1Cl 40844827 WSJMLOCLRYXPPE-LJAQVGFWSA-N 513.037 6.099 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 58893869 CLSPQYYLGHOENS-WGNDPNKDSA-N 501.410 5.935 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914904 QWHPSXLAJRAETO-HHHXNRCGSA-N 501.067 5.630 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2sc3ccccc3c2Cl)cc1Br 100163924 CPKRNPMXTDWZLG-UHFFFAOYSA-N 540.892 5.445 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 100235508 CTBJULGVRSMAGZ-POBUXNOSSA-N 559.432 5.538 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C1 101014195 ICHWGOBIVMRYHR-LRTVDTKTSA-N 576.726 6.157 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245626 HVZITCSIQTZPJC-MIXNUDJGSA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101336685 SJHRXKVHHSFSKO-FDAWAROLSA-N 601.062 7.157 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Br)c1 101363481 OTWNBDLDBGJZES-QHCPKHFHSA-N 546.204 5.958 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101375492 MJZOGONIMIWNNA-SSEXGKCCSA-N 625.549 8.187 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1 101378071 VZTGTCIPEPOPSF-MUUNZHRXSA-N 500.570 6.612 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380072 GQUONUZTXAZGBQ-PGUFJCEWSA-N 599.086 7.875 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380557 GCMWJNFMENGACD-DEOSSOPVSA-N 612.482 6.303 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101389361 SSMMULSWOZDCSQ-JGCGQSQUSA-N 611.582 5.914 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 102221857 OMCCAGBADULUQA-NDENLUEZSA-N 533.415 6.468 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2cccc(Br)c2)cc1OC 102780461 JWWMPTDCZICOQE-RUZDIDTESA-N 551.909 5.266 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741647 KWRGMXJMBZTUJJ-FNBPXTNNSA-N 549.406 5.422 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl 103880088 FUEXCRQGPHVNGF-WKULSOCRSA-N 523.814 6.920 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150388161 WXJYUHFOAQDBFZ-UHFFFAOYSA-N 664.203 5.932 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150460888 QUQIBPRBPBVPTP-DEOSSOPVSA-N 628.937 6.817 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462108 MMXXGYWRQZAFEG-FZCLKQLMSA-N 638.334 8.716 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206680035 WJZLCKJHSMQZFX-WWSBGNKQSA-N 514.578 5.699 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c1 214261800 MROJRZYNDLZIKE-CPYLFOLBSA-N 508.622 6.109 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214324159 YFCPRRFZPXGNAD-QCOJXGBLSA-N 522.605 5.018 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214332268 ZEWLUFBNNCGDPT-CIGKTAFOSA-N 526.640 6.818 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1Br 224863646 DGLINCVAPFIDNQ-SNVBAGLBSA-N 549.904 6.537 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(F)cc1I 233779125 UIFNKSZAQPYZOL-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)s1 235811975 PHZXQGLCYOHNLW-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 236069066 ZYJNCNZZKJATFA-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)cc1CN1CCSCC1 252642765 ZPUDXLSLWYIOJW-UHFFFAOYSA-N 575.532 5.986 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 254657316 KUGXTFXOTUUUTG-UHFFFAOYSA-N 551.628 5.113 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1sccc1I 311119362 XCVPTEQLPXLEOJ-LBPRGKRZSA-N 502.009 5.998 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 380109611 OSMCVZMBQUEUAV-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(I)ccc2F)C1 382713638 IQWXMOGVYWDURJ-PBHICJAKSA-N 565.164 5.218 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1Br 383269554 NYQHOVAVLZILJD-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE CN(C)[P@](=O)(Cl)OC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 616587188 HRNHOEBQNIMEGD-HRFFCBRLSA-N 722.186 7.195 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@H]1CCCCO1)O[C@H]1CCCCO1 642881644 OABDXHJQCAVVLW-HJGCRBBJSA-N 709.075 8.802 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(I)cc2c1OCC2 721588371 OMRWXTCXQRYLRB-CQSZACIVSA-N 575.409 5.921 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)c(C)c1 725423911 GLBWUHBBVOTANX-UHFFFAOYSA-N 639.221 7.832 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 725432823 SIEKEPWMKCNDQJ-JOCHJYFZSA-N 674.704 6.092 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 1083954480 LWNOGGPIFBUSDK-UHFFFAOYSA-N 521.770 5.358 50 10 KKGE Nn1c(SCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccc(Br)cc1 1083987291 IRZPOHHDMYEEET-UHFFFAOYSA-N 616.339 5.005 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1083987865 NVUMQDRDMFZWME-UQARTHHBSA-N 520.073 7.079 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Br)cc1 1084041544 NHHHSTSODYENBY-UDWIEESQSA-N 617.281 6.886 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084281809 MQMLEGBGGVEJDR-UHFFFAOYSA-N 603.959 6.784 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1CC=C 1084439199 UIRGOHCETKJONW-QHCPKHFHSA-N 501.421 5.105 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 1084482005 RQSRYRVHUZSGRL-VGOFMYFVSA-N 590.053 5.390 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1084506015 RQWHGCNEMJNUTN-DEOSSOPVSA-N 729.309 5.746 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1c(Cl)cccc1Cl 1084538153 BWNFPTPRIWJCKZ-UHFFFAOYSA-N 666.221 7.099 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084601923 XOYJUMIKSYHTEJ-LPYMAVHISA-N 507.417 7.164 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c([N+](=O)[O-])cc1OCc1ccccc1 1084646418 MSFBGSYRLWZDOL-UHFFFAOYSA-N 524.327 5.455 50 10 KKGE O=[N+]([O-])c1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)ccc1Br 1614620267 DEAVNUJFQJYFPL-CVEARBPZSA-N 501.162 5.008 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744891 MALZVJXARQCBRG-UHFFFAOYSA-N 534.528 5.725 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772746973 BZMLELLLWOYQDE-UHFFFAOYSA-N 564.041 7.910 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748635 ZSEPTIKZBARNDG-UHFFFAOYSA-N 513.797 5.483 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1O 1772753871 BJVRTUZWJMEHGO-UHFFFAOYSA-N 534.204 5.122 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865691430 RWUBOZCXHSNNHZ-JOCHJYFZSA-N 527.394 5.157 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865692431 BLMWDPJNUIWTTJ-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3cc(C)ccc3C)cc2)cc1 1865694133 UPCBFORHAQQTMK-JGCGQSQUSA-N 552.678 7.321 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865702087 MIRPYHOZLWEFFZ-QHCPKHFHSA-N 506.448 5.652 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704953 IQTZAPFQEHYRGM-MHZLTWQESA-N 575.496 7.246 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708315 TYGFCMOYCYYAQU-XMMPIXPASA-N 559.420 5.546 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710331 VPYDBTMCLREBIX-QFIPXVFZSA-N 544.365 5.437 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C)c1-c1ccc(Br)cc1 1866128487 UXCLQJNHIRYSBA-SFQUDFHCSA-N 529.843 6.862 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(C(=O)c3c[nH]c4ccccc34)CC2)n1 1868253272 DXVGCFJXDYSTJC-UHFFFAOYSA-N 512.639 5.563 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@@H]2c2ccccc2)OCO4)n1 1868301330 NVRGUVBGUVGRMN-XIFFEERXSA-N 569.690 7.650 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(CCCOC)[C@H](C)C3)n2)cc1 1868528345 RABODACTPPSQPU-SZPZYZBQSA-N 532.714 5.795 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)n2)cc1 1868545371 XKPWWSDMSWICLO-NDEPHWFRSA-N 560.727 6.704 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872751571 NNDCWNPOYGIPIC-IRMDRMDNSA-N 501.652 6.519 50 10 KKGE FC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924615703 FIBJHMFTSWMSGS-NPWHJSNTSA-N 513.890 7.000 50 10 KKGE Brc1cnsc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924616009 JTMPSFGEKOKGJP-SCSAIBSYSA-N 575.765 6.739 50 10 KKGE CCC[C@H](CCC[C@H](O[Si](C)(C)C)[C@H](CCCCC=C[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C)O[Si](C)(C)C 1933278080 JYEGXNRWPXAYNW-IXNRCNHTSA-N 750.448 10.310 50 10 KKGE ClC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2025782232 HCTXHEULASFSQB-JTQLQIEISA-N 575.158 7.334 50 10 KKGE O=C(c1ccc(Br)cc1I)N(Cc1ccccc1)C1(CBr)CCC1 2026219748 YFKBFRODFZUTAW-UHFFFAOYSA-N 563.071 6.014 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC(=O)c1ccc(OC)cc1 2053614347 MWDGUNNJDSFQGP-UHFFFAOYSA-N 629.363 5.077 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(I)sn2)cc1Br 2082783614 UEUZJHSJDPQCAV-LLVKDONJSA-N 506.960 5.142 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12COC[C@@H]1C2 2085492213 IAMWEZDGJBLFME-ZTWXUTTESA-N 524.272 6.053 50 10 KKGE Cl[C@H](c1cc(Br)cs1)c1c(Br)c(Br)cc(Br)c1Br 2085493844 HSHVGMJHLSPYRK-LLVKDONJSA-N 603.193 7.889 50 10 KKGE C[C@@H]1COC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495680 RVUCIMHJVMAFNB-YZGOCOMISA-N 526.288 6.299 50 10 KKGE CN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2085499892 KWVWSNZIOIQSCK-ZWBHMBAVSA-N 569.755 6.171 50 10 KKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470401 GTRLWTGFGUQWJU-AMXGMDGSSA-N 582.794 7.855 50 10 KKGE CN(C(=O)c1cc(I)ccc1Br)[C@@H]1CCCCC[C@@H]1Br 2172546713 IINAMHGRONNUQH-UONOGXRCSA-N 515.027 5.222 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2201081689 JKBXNXDQCDTBAL-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE CCOc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(Br)c1 2207273303 SXVYNVJHVRAOQS-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(I)cc1 2218596537 GCCFLLPVTHONNZ-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2219002763 KKTATQCZZHZQKP-NSHDSACASA-N 521.869 6.967 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2ccc(F)c(Br)c2F)c1 2232219049 BBPZVUSGINVSPS-LBPRGKRZSA-N 501.934 6.125 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Cl 2232529569 XWIMCCLJHMXQNJ-CQSZACIVSA-N 501.871 7.620 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)s1 2233014097 AMYCRIGVQSWWFQ-CYBMUJFWSA-N 503.481 6.900 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2F)c(C)c1Br 2235609138 MUVYCFXMUSEBKR-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1ccc(Cl)c(I)c1 2256330914 FSGBIAULRGHACS-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE CS(=O)(=O)C1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2257543542 ZSPUGYHPKUQMJA-QIYZCZBYSA-N 545.938 5.295 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nscc1Br 2260001975 QPYQUOMNELZLKA-QMMMGPOBSA-N 526.820 6.193 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2293410464 YUZXUDSLNLAZOS-UHFFFAOYSA-N 572.086 6.882 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 2294171824 BOEBLNASPILJHU-UHFFFAOYSA-N 516.428 7.526 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507193 XYGHEQLKLQIUTM-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl 2296648921 HKAFRWWMXCFRHU-UHFFFAOYSA-N 563.239 5.050 50 10 KKGE Brc1cc(CNCCCCCCI)ccc1I 2306218691 CXKVQYKYJWZNNB-UHFFFAOYSA-N 522.006 5.139 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518703 PALINBPIKBBPSQ-UHFFFAOYSA-N 613.666 7.385 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556201 QRQMTAQJBIYWBH-UHFFFAOYSA-N 644.282 6.519 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(C)c1 2313568685 VZSUXBCEDACSSE-UHFFFAOYSA-N 552.412 6.431 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571478 XGNBPOQYOLMCDT-UHFFFAOYSA-N 700.101 7.199 50 10 KKGE Clc1cc(Br)ccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314448272 GNVPDIIRMIQEJH-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1I 2314449243 OMBUAWTXZGTVRF-HXUWFJFHSA-N 572.078 7.425 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](CC)C2 2314571805 MHFAQBVPKBCSLQ-HXUWFJFHSA-N 544.673 6.573 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314617173 SCWVWTZCSUAWMW-UHFFFAOYSA-N 558.638 6.048 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314618734 SPCHIHAFKXYARE-UHFFFAOYSA-N 557.654 6.070 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314620404 PIKWKHDGTODQHV-DEOSSOPVSA-N 649.748 5.891 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634674 WWCONHTYUAXDRJ-SSEXGKCCSA-N 524.617 6.228 50 10 KKGE Cc1nc(OCc2cc(I)ccc2Br)sc1CBr 2319166657 HVJKERQFPQHPJN-UHFFFAOYSA-N 502.997 5.293 50 10 KKGE CC(C)(C)c1csc(C(C#N)=C(O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 2331306022 AECIIYVNUQZXKG-UHFFFAOYSA-N 505.210 6.143 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)c(OC)cc1Cl 2331377431 XZOFKXBTHOHRBZ-UHFFFAOYSA-N 502.892 5.555 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331445890 XUSJYNQAVSPAOT-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336083393 JUJNGKQCYRLHHH-NRFANRHFSA-N 559.523 8.237 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1sc(C)c(Br)c1C 2365234883 YZUZQAQGMGVRMQ-LBPRGKRZSA-N 505.472 7.428 50 10 KKGE Clc1ccc([C@@H](CBr)OCc2ccc(I)c(Br)c2)cc1 2377621769 KSGLUGCZRXAOED-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 33378112 MHWNWIJOKILUDV-OQRYGUKSSA-N 518.566 5.255 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)oc2ccccc12 38700425 BSJDODZZNXIEMB-GDLZYMKVSA-N 514.537 6.971 50 10 KKGE O=C(O)c1ccccc1C(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 39899593 PKCDXOCLNAPMQC-RPPGKUMJSA-N 509.747 5.175 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2ccccc2c1 58895165 HDJCRCFRPOFVNT-HCCFGXPJSA-N 522.645 6.510 50 10 KKGE N#CC(/C(O)=N/c1cccc2ccccc12)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968648 PDZPBACEAPVEKE-AHCSBEPMSA-N 554.469 7.317 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C 100186747 KDBRLXBSPDZOMD-UHFFFAOYSA-N 564.546 5.555 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 100193962 USUIRFKLDGHIRN-UHFFFAOYSA-N 526.456 5.100 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(I)cc2)cs1 101034288 FEJMVQZACQVJSI-XDHOZWIPSA-N 608.417 6.405 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OCC)cc1 101241854 KJQAUBHSJLNBCJ-GHIWRQRASA-N 535.975 5.486 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246235 LUEFTDRCHKAMQU-RAMZYJDASA-N 518.038 6.112 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379403 PBHBHQNPAAUSLY-PMERELPUSA-N 557.433 6.939 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380068 JGBWNDSOIIELKV-HKBQPEDESA-N 553.014 6.294 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381113 GEHXRVBBSAOGGB-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383511 HOBQCYQILVLXPX-PMERELPUSA-N 557.433 6.939 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386022 IQBXHTDRMRKGOI-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388104 HLWJNBKFUHINTF-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2)c1cccc(C)c1 101612334 IFRIFIPHYGGLEX-MWAVMZGNSA-N 528.436 6.106 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 101690803 BUYKIIVGPXRRBE-MQLQUWDCSA-N 534.568 5.709 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1OC 101697727 IEUFFHDMIYWSKN-DMFVVVJASA-N 544.604 5.708 50 10 KKGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 102845436 IQJZJSINFBCHSW-OOAXWGSJSA-N 532.625 5.240 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)Nc2ccccc2C)c1C 103628368 STLCXPLWFKKSTI-HKWRFOASSA-N 528.659 6.894 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 103876813 XUFOTWUOTLTENX-KKMKTNMSSA-N 562.645 6.954 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccccc1 105226907 QUFOBIIFQMUWHJ-VYVDHXHBSA-N 540.255 6.575 50 10 KKGE CCOc1cc(/C=N\NC(=O)COc2ccc3cc(Br)ccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442590 JKKLIQMKWREWGT-FZPRHHONSA-N 637.483 5.775 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 163904303 UNACZPWHYJNCDO-IUQVKIOSSA-N 703.802 10.608 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 164624011 CZZNMRGPUOMVLE-CHSHITCJSA-N 677.426 9.264 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 164722658 VCVOPTPJUQEYMK-ZDLGFXPLSA-N 638.218 6.468 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205659408 UXQGSKVMFHLNDW-IFCBZFTLSA-N 536.672 7.246 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214258150 ZOQYRCPQUFVZNP-YQUKCCFRSA-N 508.622 6.026 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 214304933 USCJBPFNTGWIBR-XYGWBWBKSA-N 542.611 5.484 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214343779 KHHNIWAMJPYPFS-UEKTYDJUSA-N 500.639 6.788 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254307996 OGZABAXHWOGWPQ-NZOCAQQHSA-N 582.660 6.046 50 10 KKGE CC(=NNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254404008 VKWUIYZLIIKZEB-UHFFFAOYSA-N 539.451 6.208 50 10 KKGE O=C(NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254838492 MUEYGLSTKLSTBD-UHFFFAOYSA-N 549.608 5.624 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)[C@H]2Br 256018949 BTNYCBPKSJUSQW-ZLIFDBKOSA-N 524.047 5.040 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019823 GZULQEGYIKAKAS-CHDQUJHISA-N 700.464 7.482 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1 256028469 OLEIVQQYJXUNIH-UHFFFAOYSA-N 595.588 7.087 50 10 KKGE O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@@H]2C[C@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 256464224 VLVPZHPCZCEGRU-CUWHBBLKSA-N 829.308 5.569 50 10 KKGE Cl[C@H](c1cc(Br)c2c(c1)CCCO2)c1cc(Br)c(Br)s1 689609582 GHHWSIUVGKRNEL-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(I)c(O)c1 725387502 MWRLKYXQUWVXQN-UHFFFAOYSA-N 617.874 7.539 50 10 KKGE CCCCCCOc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1081086774 IXFZFPNNWMMJEF-UHFFFAOYSA-N 509.444 6.751 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cc3ccccc3cc2O)c1 1083904727 WEJYRHCXLUXBKZ-UHFFFAOYSA-N 525.439 6.037 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3cccc(Br)c3)o2)cc1 1083917540 JWJRDFFSQTWXHK-UHFFFAOYSA-N 678.392 6.137 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CSCc2ccccc2)cc1 1084549489 UPBKKPARKYWPJW-UHFFFAOYSA-N 501.051 7.116 50 10 KKGE CC(=O)NC[C@H](I)C/C(C)=C1\O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2[C@H]1C 1565535803 KGBSGBJFEOXATN-JIXFYDKMSA-N 623.616 6.746 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749821 PQXSTDADMHVSGM-UHFFFAOYSA-N 548.393 5.354 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 1772755106 NKEXFXSWULJZPN-UHFFFAOYSA-N 671.853 8.363 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865687215 MBHYDENFNGCQRY-XMMPIXPASA-N 550.512 5.895 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688158 LLWSVOQRPJXIIK-PMERELPUSA-N 534.660 6.307 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865690221 LTMTUSFTDUTNGB-LJAQVGFWSA-N 512.613 7.090 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc1OC 1865693326 UTPYGJLOJIYXNP-QHCPKHFHSA-N 523.431 5.408 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865696011 BFRACIRTLDPHCX-SANMLTNESA-N 527.024 6.598 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698152 LRMWVCMOJZDLOJ-HSZRJFAPSA-N 571.903 6.314 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865702674 YZTPVIOEZYXIFF-AREMUKBSSA-N 544.486 6.970 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704585 ZGEIWCFWKMIZRK-XIFFEERXSA-N 578.647 7.688 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706386 VKUGZKNXDJJVSK-HHHXNRCGSA-N 536.632 6.083 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711711 GKJFBTUFFWMRKH-MHZLTWQESA-N 500.558 5.928 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711917 LKHFEOZLYAWSFE-SANMLTNESA-N 514.988 6.083 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129400 RCUHMOJLLOUPKE-LFIBNONCSA-N 560.267 6.662 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccncc2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866696215 UVYCEIIVSRNZGI-IHLOFXLRSA-N 564.667 5.273 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)C2 1868365907 YHIBTHWQYUQFDJ-UHFFFAOYSA-N 563.727 7.700 50 10 KKGE Brc1ccc2cc([C@@H](Br)c3sc(Br)cc3Br)ccc2c1 1922890670 FTWFONVJCJWJCY-CQSZACIVSA-N 539.912 7.673 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 1923066567 RCDKAQVHWPNRSE-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1c(Br)cccc1Br 1924063174 NHZCJVJITMGWAI-XLKFXECMSA-N 512.865 6.609 50 10 KKGE FC(F)(F)C(F)(F)C[C@H](Br)c1c(Br)sc(Br)c1Br 1924611623 CWQPJPNTFGGURW-REOHCLBHSA-N 545.785 7.059 50 10 KKGE C[C@H](CC(C)(C)C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611643 DGBPVZCZSLJHCU-HTRCEHHLSA-N 511.943 7.544 50 10 KKGE CO[C@@H]1C[C@]2([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@@H]12 1951245292 HVOWWFINYLJFLV-QLPOTSPLSA-N 509.883 5.897 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)cs2)c1Br 2024291463 AOEWCFIQEGJYJC-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)s1 2032959317 ZQOIZMQKVMPHOI-QMMMGPOBSA-N 539.934 6.728 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3ccccc3I)cc2Br)c1 2053623053 CAOXYCPWUGIWPE-UHFFFAOYSA-N 652.124 7.249 50 10 KKGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](NC(=O)CCCCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2054724665 MLRLOIWXHCPWFF-RASJINCSSA-N 751.431 5.637 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)ccc2Br)c(Br)nn1C 2067860281 LCCZEPGJUNUPMU-LLVKDONJSA-N 501.842 5.500 50 10 KKGE Cn1ncc2cc([C@@H](Br)c3c(Br)sc(Br)c3Br)sc21 2118612089 UNELKGKBLQUXIA-SSDOTTSWSA-N 549.933 6.468 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)ccc2Br)c1Br 2138852168 MNHASUFIJLXREI-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141468548 LCHWCFLXAUUMIC-LLVKDONJSA-N 580.709 7.360 50 10 KKGE C[C@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469270 UFXPKPKCWTZECT-PHNJOPHVSA-N 552.248 7.605 50 10 KKGE FC(F)(F)C(F)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469789 CDDDNFURNRVUIA-ZETCQYMHSA-N 604.625 7.370 50 10 KKGE CCCC[C@@H](CC)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471373 QRGHMIOYKJXEHW-PELKAZGASA-N 584.810 8.389 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CC2(CCCCC2)CO1 2166260562 JYUIWYZSWHYCGG-KCJUWKMLSA-N 507.513 7.055 50 10 KKGE C[C@H](Br)CCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2189279380 OLJHHPRLZJPDFG-QMMMGPOBSA-N 577.884 5.503 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CCCC[C@H]21 2206393795 BGCHDCXKEHZNNG-WGKISQMNSA-N 550.354 7.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 2206395749 QCGKGFDAKZZHEN-UFBFGSQYSA-N 594.805 8.143 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2224055437 QGYJKSAVBMKFIK-VIFPVBQESA-N 629.775 7.433 50 10 KKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2232583139 YMHGJEFRWZXVTF-OBXARNEKSA-N 608.710 7.761 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)s1 2233023972 UNKPCVXEIBVPPA-CYBMUJFWSA-N 594.932 6.899 50 10 KKGE CCc1cc([C@H](Br)c2cc(I)ccc2Br)sc1Br 2255989466 TWWBKMWICQCZIV-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE Cc1csc([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2263511330 RTJWZQFLERQUHL-LLVKDONJSA-N 517.906 7.023 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2288373457 JDAQIUOEKDRPNT-JTQLQIEISA-N 537.822 5.779 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)c(Br)c1 2288495160 QBRQHYYXVCPBSO-NSHDSACASA-N 554.248 7.390 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2295172615 LWVGQPZTCYUHEZ-UHFFFAOYSA-N 516.178 6.521 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC(C)=O 2296048058 SIPNWTSEJCIPFV-UHFFFAOYSA-N 553.390 5.686 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)cc1 2296506701 AYDOKPPTHJEHAW-DEOSSOPVSA-N 566.466 6.235 50 10 KKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 2296507043 QIGYJXJZMWAPMT-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)nc2ccccc21 2296546392 WXWBAEFNCOODNL-UHFFFAOYSA-N 507.597 7.069 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@H]1CCCO1 2296705949 BZABBPOVUIHSDM-GDLZYMKVSA-N 539.035 5.974 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314490262 WJHMOBXEAISPDK-UHFFFAOYSA-N 577.463 7.596 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591702 BMWVXLLOHHABBB-RUZDIDTESA-N 502.039 6.276 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592472 UTYRBCACOVAJQY-DEOSSOPVSA-N 538.456 6.457 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314617884 CJRYJXFMUQWLCK-QHCPKHFHSA-N 591.693 5.143 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314618469 OCQAUOQRZADHNS-SSEXGKCCSA-N 570.649 5.890 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646856 RNWQYBPLUFQZSF-JGCGQSQUSA-N 701.204 6.688 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(I)ccc2Br)C1 2319224068 RTXKMVRRLVMHTI-SFHVURJKSA-N 636.106 5.775 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C)c1-c1ccc(Br)cc1 2329655777 UXCLQJNHIRYSBA-UHFFFAOYSA-N 529.843 6.862 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 2331364243 WPTFHLKFEHBBKD-UHFFFAOYSA-N 507.311 6.200 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1Cl 2331397861 APIPZOFVENOFQZ-UHFFFAOYSA-N 507.311 6.200 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1Cl 2331398455 WUYHDZDWGILKRI-CQSZACIVSA-N 516.406 5.980 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)sc1Br 2339649506 WBOBHVPQFFBHNQ-SECBINFHSA-N 600.765 7.730 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Cl)cc2I)c1Br 2340064047 CZGVZLLFHGDNGO-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE BrCC(CBr)(Cc1nc(Br)cs1)c1ccccc1Br 2342917210 BDSIPYOCDBTQOW-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Cc1ccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)cc1I 2360487197 RXYKFLPTNKVFLM-ZDUSSCGKSA-N 508.383 7.136 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2ccc(Cl)cc2)c1Br 2362230983 UFHDTIFTFFKWPT-VIFPVBQESA-N 505.834 7.336 50 10 KKGE COc1ccc2cc(C(=O)NCc3ccccc3)/c(=N/NC(=O)c3ccccc3Nc3ccccc3)oc2c1 3028150 ZRILTENXQMLUHJ-LLZINOMRSA-N 518.573 5.361 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1cccc2ccccc12 12491300 BOVSSLILQDSLAW-LGJNPRDNSA-N 512.201 6.047 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(Br)c1 38651498 MEYMTTJGVQZRQV-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccc(F)cc3)nc12 39992972 VVXLAZIAAFGAFR-FOWTUZBSSA-N 508.431 5.499 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccc(C)cc1 40911171 JSTRCZZNCFCAAG-HNSNBQBZSA-N 516.682 6.826 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100235320 DMAVOQKGZVIYTK-FVNYZOMQSA-N 620.371 7.426 50 10 KKGE CC[C@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100251990 IDTNHMFMTJTORD-IBGZPJMESA-N 546.693 5.363 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 100452461 NGMMGZMERHELPP-CHVMBPBASA-N 546.259 5.755 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)c1 100928743 YRIORVGVWXIYKQ-KGENOOAVSA-N 536.407 5.205 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243940 DXSDJKWBKYBJEY-IYXNLAPBSA-N 566.510 6.696 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341006 CNMMBGSHUVTSEB-MTDXEUNCSA-N 552.631 5.182 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101377211 HALZIFDXWBAOBN-QFIPXVFZSA-N 574.502 6.154 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1 101377841 ARTRXUFHXIZMJK-ZJUCSZFWSA-N 538.644 6.881 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379039 NWLXJYTVUIWQKW-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380983 CMEVHEBXVQSRAD-YTTGMZPUSA-N 550.586 6.170 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381097 YVBYKVOGORYVQN-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccc(Cl)cc12 101398393 BLXLXMFFJGOTTQ-SSEXGKCCSA-N 597.454 8.064 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 101596271 NVDWCUNGPXCNOS-STKMKYKTSA-N 531.971 6.896 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@H]5C)c(C)c43)coc2c1 101620151 YJNNMMHRBQRCHE-XNZVTIHPSA-N 541.623 6.471 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)Nc2ccccc2)c1C 103628404 HUHLOIAXDDDUTQ-XDJHFCHBSA-N 514.632 6.586 50 10 KKGE Cc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 103683706 HNVYDILJPGMXJV-DPNNOFEESA-N 617.986 6.438 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 103741448 OCCIUYDZUSTTNG-SCIJIFGBSA-N 583.851 6.076 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 103878564 USGWSDXSOHNVFN-LUOAPIJWSA-N 563.191 6.753 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 103880138 YNAXVQFRMVYQDO-JEPNHJGPSA-N 582.473 7.697 50 10 KKGE O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 105052063 XWFUEBWZNIXGKY-KNBZMSCYSA-N 588.442 6.575 50 10 KKGE CCOC(=O)/C(C#N)=C(/Nc1ccc(Cl)cc1)SS/C(Nc1ccc(Cl)cc1)=C(/C#N)C(=O)OCC 108816100 BAHQJQYJGZNYHJ-WRBBJXAJSA-N 563.488 6.495 50 10 KKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 109811285 AUTPODSUHIKNDA-BOPFTXTBSA-N 517.429 6.731 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430217 QONCNZDDZGSWJC-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 150485985 WSYZIBYVMKZLEK-GDLZYMKVSA-N 637.585 9.003 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 150498029 ROBYBCBCAXKZMW-DFKUXCBWSA-N 679.799 5.422 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1OCC 205656801 ZEMDIEFLWODJKC-GRIRWOKCSA-N 510.590 6.101 50 10 KKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 206986953 GXWVTLZRVRIFEF-ZHZULCJRSA-N 520.607 5.943 50 10 KKGE CO[C@]1(C)O[C@@H]2O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 207614371 KJOXQJMJZSWNTR-HBWHCFBTSA-N 572.815 6.810 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214313696 UHXXMBXKOFAFSJ-KMTRPZSJSA-N 632.746 5.147 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C2=O)cc1 214401236 BFXRXNPSNZHYDS-QRQIAZFYSA-N 546.602 5.830 50 10 KKGE C/C(C=NNC(=O)CNc1cccc2ccccc12)=C/c1ccc(/C=C(/C)C=NNC(=O)CNc2cccc3ccccc23)cc1 254372585 RINRJDWQJOBHBI-ONOYNLPSSA-N 608.746 7.228 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C\c3ccccc3)n2-c2ccccc2)cc1OC 254558422 IFIFJJIRNOSKES-RSLOLVAESA-N 513.623 5.249 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1 254701051 GXIUQBBUXRVOSR-UHFFFAOYSA-N 540.616 6.166 50 10 KKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)ccc1OCCCC 254757610 CAWXCNUHIPDQNG-UHFFFAOYSA-N 510.226 5.719 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(OC)cc(OC)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254773507 CMLZPXWNRYOQKX-UHFFFAOYSA-N 589.718 5.509 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cc(I)cc(I)c1O 254794701 JIYSGARBGWEEMD-UHFFFAOYSA-N 718.405 6.141 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)CNc2cccc(C)c2)cc(OC)c1OC 254815032 ZJSMNVXGCGWDRV-UHFFFAOYSA-N 635.309 5.327 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024933 KCNRWKPWPLPNNJ-RONQTQCPSA-N 686.698 11.661 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 256028629 ZBLDGQHRZAQMDD-UHFFFAOYSA-N 529.474 6.333 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 300467567 NZOPWXKWZVARRD-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)c1nnc(CO[Si](C)(C)C(C)(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 504595416 LBACDBSTKSTSOX-LKDZJTDUSA-N 643.940 8.164 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504618342 UKWGOBGGUGJZAH-CKKODAGSSA-N 551.719 10.118 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 1083817528 LAVSLNMQPNHPSL-UBIIGGBUSA-N 697.001 9.876 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083818331 AUHUBWQSDUBDNK-VAFBSOEGSA-N 602.882 6.424 50 10 KKGE CCN(CC)c1ccc([C@@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 1084006263 VTXRFBOAMCQPRE-OXNPYBTPSA-N 617.237 5.571 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CSCc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084092452 ZHCLOSKNAHFGTC-WFLWKIQJSA-N 603.788 8.118 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1ccc(I)cc1 1084122585 RXWMSJAGJGOFAO-UHFFFAOYSA-N 657.961 6.803 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 1084320919 VIMDWXMEPIHVKL-HYARGMPZSA-N 505.412 6.589 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1Br 1084375209 FWJCOFAZTDOFAD-UHFFFAOYSA-N 566.477 5.098 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084437640 PPRXJFDLDJFYRL-QPEQYQDCSA-N 655.188 6.761 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747997 MVZCRHLTCIRHCU-UHFFFAOYSA-N 536.755 6.146 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1865684205 NHEZTIJQUVPAHH-MRXNPFEDSA-N 509.713 5.584 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OCC 1865691739 ZWPZRMTVMAJQPU-QHCPKHFHSA-N 526.559 6.136 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865691788 BADZAZVXWKHKAZ-HSZRJFAPSA-N 557.876 6.392 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865693764 YNYXYXHVXKBDRI-HSZRJFAPSA-N 557.876 6.392 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3cccc(Cl)c3)cc2)cc1 1865694001 STIMFONEFMQBGR-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865701728 CXYWHWKYZXZHKE-HHHXNRCGSA-N 505.622 5.921 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702413 VGVHNYXACIGAMK-QHCPKHFHSA-N 549.375 5.866 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703848 GVKDWEIGAKEIOD-HKBQPEDESA-N 542.639 6.784 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)c1OCc1cccc(C)c1 1865704885 GXGQFABLIZCKDA-MHZLTWQESA-N 527.024 6.007 50 10 KKGE CSCC[C@H](NC(=O)c1ccc2oc(-c3ccc(C)cc3)nc2c1)C(=O)Nc1ccc(SC#N)cc1 1866883363 LBVZEEZRUGQBLI-QFIPXVFZSA-N 516.648 5.867 50 10 KKGE CC[C@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866948991 IQEKXBQBCMJIOV-DQEYMECFSA-N 524.111 6.464 50 10 KKGE CCC[C@@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867197667 KVUKTLGZYRLIJP-FGZHOGPDSA-N 502.478 6.076 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867215313 XQNBZZDROLTXNI-UZUQRXQVSA-N 507.587 5.081 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1868301117 KZVYWRXSDWZHII-VWLOTQADSA-N 514.054 7.000 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccnc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868413908 FYBRQJVVJYNIKF-HSZRJFAPSA-N 501.015 6.087 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(Cl)c4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868455782 BQSBAQJCLFHCKL-UHFFFAOYSA-N 559.114 7.008 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(Cl)cc1 1873498579 WGGUJIZQZXCGCB-KBVAKVRCSA-N 502.014 6.442 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Br 1923065570 FDVRMQPOEZEIBM-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE CCC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609426 XMLWWUQEPVXSLF-ZETCQYMHSA-N 533.896 7.543 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)s1 1948822919 IPDGQDAVFLYTMD-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CC1(C[C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 2003177647 YTENMHWVDBWGNG-SSDOTTSWSA-N 509.927 7.442 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1c(Br)cccc1Br 2033085230 WMFFAMLHLFBBCN-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 2053612227 BWCPAPJQTZKTLY-UHFFFAOYSA-N 569.355 5.723 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl)Cc1ccccc1 2059290683 BYXHMGCGOHYPPT-UHFFFAOYSA-N 556.353 6.211 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1ccc(Br)cc1Br 2117894253 KTJLCMMQMDIROT-JTQLQIEISA-N 503.016 5.325 50 10 KKGE Cc1scc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2141469469 VMIPYSULCSFOOQ-CYBMUJFWSA-N 552.351 7.743 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H](C1)O2 2206396586 YPLXCIJALQHVIO-RFSKQPJPSA-N 552.326 6.974 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccccc1I 2218596069 CHUIWWPNDGXEPP-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(C)c1Br 2218964247 GHTDYOCIDVXVHE-QMMMGPOBSA-N 558.380 7.805 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)nc1Br 2224309213 AJXJQGQSIBIFHY-MRVPVSSYSA-N 512.254 6.390 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(F)c2)c(C)c1Br 2235607351 FVJXUVGEPZQGQW-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2248257084 GMPDQPNFBGRTQL-SFHVURJKSA-N 520.636 6.007 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(Cl)sc(Br)c1Cl 2255965748 YSOOHZCIKNIEHN-MRVPVSSYSA-N 500.385 6.889 50 10 KKGE Brc1cc2sc([C@H](Br)c3ccc(I)cc3)cc2s1 2263562620 DNHBKKIONYFOKK-CYBMUJFWSA-N 514.045 6.814 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1scc(Br)c1Br 2264356170 IWWZAVQKSHVXAX-VIFPVBQESA-N 554.323 7.182 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 2277879837 UINZBXOIIZBLMZ-LURJTMIESA-N 519.427 7.491 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)c(I)c1 2288350656 BBLGUWUYIYEDBI-LBPRGKRZSA-N 556.797 7.076 50 10 KKGE CCOC(=O)C(C#N)=Cc1cc(Br)c(OCCOc2ccc(Br)cc2)c(OC)c1 2293512319 APQHMDCKNSGBBK-UHFFFAOYSA-N 525.193 5.148 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2I)c1 2301084639 WEDWWPKGIVIITD-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE ClC[C@@H](I)[C@H](CCl)OCc1c(Br)cccc1Br 2302080058 NPJPSKZMXNHOJH-MNOVXSKESA-N 516.826 5.378 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1 2313548735 DLKOBNWURBXIBV-UHFFFAOYSA-N 523.589 6.877 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Br)c1 2313556535 CFLXISJDMYZIPG-UHFFFAOYSA-N 593.319 6.846 50 10 KKGE Clc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314452151 KGWRLSFIXPIPNM-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314619745 DQXHASNEVMUDRG-UHFFFAOYSA-N 685.564 6.597 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c2ccccc2)cc1 2331410907 PNUVTOLNTDPGFW-UHFFFAOYSA-N 515.034 7.904 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2COC3(CCC3)CO2)c1Br 2338786265 ZYUONXCCNQLEED-SVRRBLITSA-N 539.909 5.810 50 10 KKGE CCc1nc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2360421898 FPLCQBQSAYIEIZ-SECBINFHSA-N 526.878 7.161 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365599220 VBRAVKCAYSBCJK-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE C[C@@](CBr)(OCc1cccc(I)c1)c1ccccc1Br 2367347277 ZZFWFMDHTCIWEH-INIZCTEOSA-N 510.007 5.881 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660756 SMOXHLDDEQEAGJ-PMERELPUSA-N 516.597 7.214 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)CC1 38687871 VJUNZAVFMWSVEO-KRFIBBNCSA-N 509.444 6.569 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1 40889026 OIWNORPTHUPQQD-MUFRIFMGSA-N 519.395 5.719 50 10 KKGE Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)c(C)c3C)o2)ccc1Br 58832664 UTVDIXBIVGFXFN-GZTJUZNOSA-N 514.217 6.943 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 58892479 OQLBFEOXVONACA-CHVMBPBASA-N 501.808 5.645 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97915153 MIBQFJUSRSCGCL-NDEPHWFRSA-N 533.540 7.057 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 100173349 INOYIVCRZLODSB-UHFFFAOYSA-N 603.583 5.876 50 10 KKGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cc(Br)ccc1OCCc1ccccc1 100206085 GNMDBGXLHWIPMN-UHFFFAOYSA-N 529.434 5.664 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 100869765 VPSUNASHQXBFRY-MTDXEUNCSA-N 500.592 5.141 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245127 IJWNYSAXQNZMJP-MZOFLMDJSA-N 537.563 6.087 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101334398 JFHBVUADKDWZFC-AXVUACOQSA-N 506.606 5.562 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101367758 RWWZSCXCARCYGN-YTTGMZPUSA-N 534.612 6.394 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc(OC)c1OC 101368748 GDCPRZWXBKCGED-PMERELPUSA-N 548.595 5.668 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)ccc1Cl 101379240 NMCIBPFGNCJJNY-HKBQPEDESA-N 587.459 7.083 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101385791 RCALUVHGQFUHEJ-RQZFFVEVSA-N 601.030 6.658 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101389055 AGDLDGIWCJJDLD-UMSFTDKQSA-N 586.619 7.394 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389315 NSSSNPOOCJQXBN-SSEXGKCCSA-N 554.549 6.380 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1Cl 101390055 NIUVDDVVRYNTRY-MHZLTWQESA-N 551.470 7.733 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCC)cc1Cl 101390647 CYLZOFFXYMJFST-AREMUKBSSA-N 553.442 7.008 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 101391896 KBJHZNDKQXUQNL-HSZRJFAPSA-N 540.359 6.128 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101397168 JEWOHEWRLRWVML-MHZLTWQESA-N 607.559 8.995 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397864 PUZZPPJMJZTVTI-PMERELPUSA-N 560.537 5.948 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101398335 GEYNZAPTRQDNHW-NDEPHWFRSA-N 599.495 8.224 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599656 ASZBILJJYRICIP-MTDXEUNCSA-N 578.250 5.203 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 101618729 DDPTWFRZFDQBSO-MDAYZVFASA-N 530.584 6.651 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C/c2ccccc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1 101639086 QXLHVKBUKVLPPR-CBEFOCLBSA-N 500.554 5.862 50 10 KKGE COC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102419929 CWCBLZNODRJOMZ-KAMYIIQDSA-N 508.353 5.442 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)ccc1OC(C)C 102778976 IQCGNGHYOAQGKD-GWCPKJKKSA-N 545.076 5.215 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 103722016 DLMQXKJOZJROFL-JSLDZMDGSA-N 604.589 7.692 50 10 KKGE O=C(N/N=C/c1cccc(Br)c1)c1ccc(-c2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)cc1 103756241 QBVCTPCAZMSWNG-LTTYKRRRSA-N 604.302 6.406 50 10 KKGE Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=N/NC(=O)c5ccc(Cl)cc5)cc4[N+](=O)[O-])sc3c2)cc1 103806254 UCZLLZUMLKHFTR-WCMJOSRZSA-N 602.097 7.334 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1 103816559 FFLCMHROXNOMJO-CIAFOILYSA-N 572.459 7.631 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 103878514 DHFSQBLUKPLTNN-UVHMKAGCSA-N 542.227 6.609 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)sc2c1CCCC2 103882705 XRVDIGVEMJJPIP-LYBHJNIJSA-N 542.705 5.467 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)cc2)sc2c1CCCC2 150485717 JBBXBEIUIIFCQR-NOAFBTIOSA-N 724.663 7.868 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 162431594 HJBHGUKUSGPMFH-XAZZYMPDSA-N 676.968 6.057 50 10 KKGE CCN(CC)CCNC(=O)c1ccc(Cl)cc1SSc1cc(Cl)ccc1C(=O)NCCN(CC)CC 205601876 QDHBRHPYQNECMT-UHFFFAOYSA-N 571.640 5.936 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1OC 214371952 PAZPWVZVMQPHBG-VQNDASPWSA-N 668.725 7.110 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C2=O)cc1 214403309 UFRHUOIQXFYPSO-RGXNXFOYSA-N 586.692 6.479 50 10 KKGE CCCOc1ccc([C@H](Br)c2cccc(I)c2)cc1Br 229007530 RGTIZLVDWKWFBH-MRXNPFEDSA-N 510.007 6.327 50 10 KKGE Cc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1I 236009859 NCHXSJNKSGETGT-AWEZNQCLSA-N 522.043 7.061 50 10 KKGE CCN(CC)c1c(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)c(C)nn1-c1ccccc1 253576232 VOFDIQQGLBLBRH-DFKUXCBWSA-N 541.746 6.903 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253577011 WOBGZHURVJDAID-HNSNBQBZSA-N 695.635 5.408 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)sc2c1CC[C@@H](C)C2 254297866 VWPYGKQJDVKBOA-LJQANCHMSA-N 583.666 5.511 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cccc(Br)c1 256028249 AWEMXKLHQRTSQI-UHFFFAOYSA-N 569.506 5.798 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c(Br)s1 309835073 IHAQGZJQIWLYCY-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1cc(I)cc2c1OCC2 312412712 XGZWHOQIDDEMAZ-CQSZACIVSA-N 528.409 6.079 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)ccc2I)c(C)c1Br 312458254 SIPNRBDGSAAOFP-INIZCTEOSA-N 572.904 7.226 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CBr)[C@H](c2cc(Br)ccc2I)C1 382703235 DKMKRUSUKVOAID-GXFFZTMASA-N 545.053 5.399 50 10 KKGE C[C@H](CCCO[S@@](=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 575627497 WSBINBUDUYSHJN-XPTUFWJFSA-N 599.010 10.112 50 10 KKGE in-vitro CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591400 YXADDVIQROVGOJ-JLMDMGSGSA-N 630.892 6.196 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 1083889057 YJDCZFOENPUTAW-DEOSSOPVSA-N 525.443 5.699 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1OC 1083981472 UYVBYXNZYDJHFW-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE O=C(NN=Cc1cc(Br)c(N2CCCC2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1084331554 AYRAKLDHPBIWKB-UHFFFAOYSA-N 579.498 7.531 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 1084373278 CHRDHPWHGOKHSN-UHFFFAOYSA-N 550.058 7.458 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 1084553823 GPUWAOMLVGDEHR-XDHOZWIPSA-N 558.803 6.468 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(I)cc1 1084572839 IEPUREZNQKKTCT-MUUNZHRXSA-N 642.534 6.360 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084572884 XUYAWTPYPHHCOR-UHFFFAOYSA-N 593.061 5.163 50 10 KKGE CC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N/N=C(/C(=O)c1ccccc1)c1ccccc1 1088570528 COZZARTXXUBGFJ-HPGPRJGTSA-N 525.612 6.729 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744164 RBEIFQYWIILZRS-UHFFFAOYSA-N 501.768 5.122 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cnc3c(O)nc(NC(=O)COc4ccccc4)nc32)O1 1775953504 MNJJIVKJWYMOEF-YBZKQSBQSA-N 756.980 7.763 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(Br)c1O 1865688167 LTOWDRFFMFHXRV-QFIPXVFZSA-N 563.839 6.278 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865688294 OOQMKAPBIMYDCP-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865702851 GQQPIHCXCYXJMU-SANMLTNESA-N 510.569 5.753 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c(OC)c1 1865708621 ZLLCBRLZUZNIFF-QGZVFWFLSA-N 511.287 5.433 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711581 BSSIIJOSXLGCIY-SANMLTNESA-N 517.416 6.344 50 10 KKGE CC[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866601270 ODNUJQFUDWGYJD-QHCPKHFHSA-N 524.712 5.195 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866643372 NPSAVNPONABGAD-AREMUKBSSA-N 526.618 5.146 50 10 KKGE CC/C(=C\C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866687191 DIAZSFWEVZJYKP-DHCKTRPCSA-N 531.703 6.119 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccc(Cl)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866758923 XXPZKMWZKRTILF-VSGBNLITSA-N 564.107 6.334 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](CC(C)C)c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867110501 UDWBAVSXIMZPDH-OUTSHDOLSA-N 561.679 6.210 50 10 KKGE C[C@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872753999 XRWFBFAWGCHSID-XDPRFGBZSA-N 507.615 7.005 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872755049 WAIJDAUYLRRKBU-DJUDNFEDSA-N 503.580 5.068 50 10 KKGE CS(=O)(=O)c1sccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924571868 VIHZEOJSBXBMAE-LURJTMIESA-N 573.973 5.985 50 10 KKGE Brc1csc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1Br 2033619568 LNDJKRLCPURFJM-JTQLQIEISA-N 535.946 7.459 50 10 KKGE Cc1c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)nn1C 2067854639 HTESHKNMONOTRK-SSDOTTSWSA-N 542.316 6.168 50 10 KKGE CC(C)(C)C1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2071924649 UBSUFCPLLOYPEL-SECBINFHSA-N 523.954 7.688 50 10 KKGE Cl[C@@H](C[C@@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2085496523 RRYNJNFNGCZBFP-RCOVLWMOSA-N 526.288 6.586 50 10 KKGE COc1sc([C@H](Br)c2ccc(Br)cc2I)cc1Br 2086138787 GGDLRBWILHWNPQ-LLVKDONJSA-N 566.878 6.371 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)oc1C 2141469506 VPEIPBHNKZLNIX-CYBMUJFWSA-N 536.283 7.275 50 10 KKGE C[C@H](C1CCCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475810 RXBGDPNZBKLTSO-KRTXAFLBSA-N 582.794 7.999 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cccc(Br)c2Br)cc1Cl 2148748198 AGUZHNAKUWKXHN-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE Clc1cc2c(cc1[C@@H](Br)c1csc(Br)c1Br)OCCO2 2150344954 XGOJDTIHPIOSAU-LLVKDONJSA-N 503.437 6.182 50 10 KKGE CC(C)(C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2206396095 SETKRPBNUXZSFM-SSDOTTSWSA-N 566.275 7.995 50 10 KKGE COc1ccc(Br)c(CBr)c1OC[C@@H]1CC1(Br)Br 2220454491 UAOIYAATRLTJNC-ZETCQYMHSA-N 507.842 5.237 50 10 KKGE Cc1cccc([C@@H](Cl)c2cc(Br)c(Br)cc2F)c1I 2225633400 JIYKUPOZQYOPFL-CYBMUJFWSA-N 518.389 6.592 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)c(C)s2)c1Br 2226089363 PEDCGZLPACFGIE-CQSZACIVSA-N 531.933 7.445 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232512522 UMWBJUXBENGZAP-LLVKDONJSA-N 526.252 7.795 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1C1CC(COCc2ccccc2)C1 2234070071 UTAHYVPIGKNPAV-UHFFFAOYSA-N 512.673 6.511 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)cc1I 2269549205 XWNMMODNMIMEDL-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE CN(Cc1cccc(I)c1)c1cc(Br)cc(F)c1CBr 2280263895 LAQVUHJZTHSXJV-UHFFFAOYSA-N 512.986 5.724 50 10 KKGE COc1ccc([C@@H](Br)c2cc(F)c(Br)cc2F)cc1I 2285016312 XZKUWTYAARLPMT-CQSZACIVSA-N 517.933 5.825 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3ccccc3Cl)ccc2O)cc1 2295489470 JUSOEWWQMGJBQR-UHFFFAOYSA-N 567.049 6.448 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 2296042396 NYFWLIRHFUAYGL-UHFFFAOYSA-N 530.649 8.041 50 10 KKGE CC(C=NNC(=O)CNc1cccc(C)c1)=Cc1ccc(C=C(C)C=NNC(=O)CNc2cccc(C)c2)cc1 2296646500 FWRQXFYCCMOZEG-UHFFFAOYSA-N 536.680 5.538 50 10 KKGE O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)NN=CC(Br)=Cc1ccccc1 2296934848 BEAKXPKPALTENU-UHFFFAOYSA-N 587.330 6.871 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2297456682 KYOMJMPBAWEAKT-XMMPIXPASA-N 515.566 5.067 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2297468383 JLCXIRLXPSRUMP-QHCPKHFHSA-N 526.420 6.506 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)C1=CNc1ccc(-c2ccc(NC=C3C(C)=C(C#N)c4nc5ccccc5n4[C@H]3O)cc2)cc1 2297532122 SLFVAYAXFQWWPL-ZAQUEYBZSA-N 654.734 7.648 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567325 IYBNDBFQEGAKJC-UHFFFAOYSA-N 526.851 6.482 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 2313567415 GWEQRSNMGWVGFY-UHFFFAOYSA-N 746.124 6.934 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc(F)c3)c(I)c2)cc1 2313567429 HGOUHZOMXDZTDS-UHFFFAOYSA-N 512.322 5.863 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C)cc1 2313568643 VPTWEBVMWYBUGG-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C1 2314479478 YOBOVAWPFVWLGS-HSZRJFAPSA-N 562.699 5.911 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591692 BJQULPYGGIKIBJ-RUZDIDTESA-N 552.483 6.766 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591713 BTWHKFAYEIGBIF-MHZLTWQESA-N 511.647 5.939 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591797 FDBLTGOPVDJNIO-RUZDIDTESA-N 552.483 6.629 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592505 VVKVWXJWLJJTOJ-MHZLTWQESA-N 527.646 5.892 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593266 KLBDIGNUQALGRI-XHCCPWGMSA-N 564.538 7.420 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593365 LVKQUEITSRYJDS-XMMPIXPASA-N 536.484 6.353 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 2314618323 LIXNPZWQCMFXES-UHFFFAOYSA-N 526.662 5.670 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634030 CYIPHWDEYNTGEU-SANMLTNESA-N 507.373 6.229 50 10 KKGE Clc1nccc(Oc2cc(Br)cc(I)c2)c1CBr 2321464934 LNWKOSKGUOHCCH-UHFFFAOYSA-N 503.359 5.789 50 10 KKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccs3)cs2)c(Br)c1 2331326717 LVGRKUCHLXXHBS-UHFFFAOYSA-N 503.487 7.583 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)cc2C1=O 2331410965 XZYTUXYZGRYQRJ-UHFFFAOYSA-N 509.971 5.054 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)ccc3F)n2)cc1OCCC 2331438037 SSZFXVRFNDZGIX-UHFFFAOYSA-N 501.421 7.353 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(Br)c1Br 2339645443 IAQUOQZNWQLLDB-QMMMGPOBSA-N 600.765 7.730 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)Cc1cccc(Br)c1 2360425740 FLDVSVRMIPTNEJ-SECBINFHSA-N 505.834 7.336 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2COCCC2(F)F)c1Br 2362228108 LTLXMJSGCABLDY-SSDLBLMSSA-N 501.362 6.112 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)sc2Br)c1Br 2365189929 ZRSRNFVFYVXMBS-SNVBAGLBSA-N 612.801 7.599 50 10 KKGE Clc1cc(Br)c(OCc2ccc(I)c(Br)c2)c(CBr)c1 2377289089 ZTDJJNLUGFPAQV-UHFFFAOYSA-N 595.294 6.944 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN=C/C(Br)=C\c1ccccc1 2703579 MBTWZUCSAIJNOM-MLXBJGBRSA-N 539.886 6.368 50 10 KKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)cc1 12273818 NABLYYONOSCHKZ-RMNOPMHCSA-N 518.038 6.030 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cn[nH]c1-c1cccc([N+](=O)[O-])c1 35516563 JTUGDYARFHZHBP-WQRHYEAKSA-N 513.535 5.436 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38660307 QFYKZEIOLVWNLD-PMERELPUSA-N 528.605 5.639 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38681812 HOXPITITMBMCQU-ACSYHNTCSA-N 512.606 6.190 50 10 KKGE CCCCc1ccc(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])cc1 40581322 OVWCPARYYSBSFM-UHFFFAOYSA-N 505.362 5.300 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822650 GDNZXGRVMUAKID-DNGXXSEMSA-N 505.618 7.101 50 10 KKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 40948698 MSDOABGARDTJAK-XDHOZWIPSA-N 516.388 5.426 50 10 KKGE CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)cc1 96401685 AEUWMIXQJUIVPA-OYKKKHCWSA-N 513.594 5.303 50 10 KKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc2ccccc2c1 100061999 KGQRSJDQWHLHCX-JFLMPSFJSA-N 526.228 6.437 50 10 KKGE CC(/C=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)=C\c1ccco1 100089309 UBDOCHVMWDHSGB-OOLSEVNRSA-N 522.428 5.587 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 100553064 LWUROOUYMHVPCL-KBVAKVRCSA-N 562.851 6.698 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242542 IJIMOZBDNDHWRR-YDYXIROLSA-N 552.450 5.183 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246166 ZWPNQTXTMMHVEA-MZOFLMDJSA-N 572.008 6.741 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 101336658 GDBIJWZGHLXECV-RDRPBHBLSA-N 546.627 6.412 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 101339894 VZHFXMBVROVWKN-NDZAJKAJSA-N 572.665 6.438 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340757 DOTJAMBZLMQNHS-VUTHCHCSSA-N 577.084 7.164 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369485 PRZOZVBLOFPAHI-UMSFTDKQSA-N 550.614 7.435 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101369770 RVFNBQZYJRWNRY-LJQANCHMSA-N 598.697 7.719 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101381019 JKABFRYTCUCCAD-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 101385703 LQGQCEVEKJPDCA-LJAQVGFWSA-N 583.984 6.273 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccc(F)cc1 101389267 HKZYTLNRNSOLOX-HKBQPEDESA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(F)cc1 101389426 TZSZYMCYUJDILV-MUUNZHRXSA-N 542.588 6.302 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 101397237 YJVLGRKFYVLIAJ-XGHGPEJISA-N 544.736 8.156 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCC)c(Cl)c3)ccc21 101397314 QIWSVZWCSAYTRH-MUUNZHRXSA-N 581.496 7.789 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1Br 101761580 IEATZCVFDKTLDL-KGENOOAVSA-N 589.313 8.210 50 10 KKGE O=C(/C=C/c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 102999762 AUAZMUPOTCSMFL-OBGWFSINSA-N 616.621 6.196 50 10 KKGE N#CC1=C(N)n2c(s/c(=C/c3c4ccccc4cc4ccccc34)c2=O)=C(C#N)[C@@H]1c1c2ccccc2cc2ccccc12 103757674 FFYULGJOUHATEZ-XJNHXSSVSA-N 582.688 6.474 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 103876932 DBZAKOZBHRWEMA-FNTLCPBMSA-N 547.662 7.400 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(I)c2)cc1 103887685 HYMBSHCJILVECC-HAHDFKILSA-N 544.392 6.878 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(C)c1 103887865 FHCSBRWYRBSITF-MTJSOVHGSA-N 538.385 6.041 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1cccc2ccccc12 150578511 QMZYBJOGRXZLTK-MTJSOVHGSA-N 653.860 7.529 50 10 KKGE O=C(c1ccccc1Br)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 164608605 BYEMNKFXDKKKMY-WCWDXBQESA-N 632.037 7.004 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205782108 INABXHIOXJUFLQ-QVKATGLSSA-N 664.809 5.967 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214277162 PMCNYTZIEZXLBP-MIXAMLLLSA-N 528.612 6.039 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214338219 UPUXVCSIDYUZEA-ZKEUWGQUSA-N 608.673 7.611 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C2=O)cc1 214393591 FPHHTEGJQKNVGB-RGXNXFOYSA-N 600.719 7.074 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 214399518 DLZULTNNWOSPPM-VEILYXNESA-N 559.582 5.291 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 236068095 BRBDXRXZKNDPLH-JTQLQIEISA-N 524.297 7.173 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498451 MPDRBMWFDJELIO-UTGSNZKFSA-N 742.806 13.221 50 10 KKGE biogenic COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCC(=O)OC(C)(C)C)cc2)cc1 254297293 MYVPLMHRHXHISM-UHFFFAOYSA-N 629.735 5.575 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)s2)cc1 254631091 PIHOKCVBHOKFLY-UHFFFAOYSA-N 542.796 6.682 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 254808407 ILJBSOOHXKRLDW-UHFFFAOYSA-N 572.603 5.906 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@@H]23)ccc1OCC(C)C 256027244 VEAGAZNBOZXMBZ-SXLGDUGKSA-N 503.667 5.037 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1 575416946 FZTPBALCQSLXDA-NIAOPJFLSA-N 769.218 10.984 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616584539 DJWYSLVSBLMOCS-CPBLHNKASA-N 795.947 7.144 50 10 KKGE Brc1csc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 705446907 CRQKNZPGRUXQJA-JTQLQIEISA-N 578.889 6.297 50 10 KKGE Oc1nc2cc([C@H](Cl)c3scc(Br)c3Br)c(Br)cc2[nH]1 705466327 SZLOTBLOHSLERV-JTQLQIEISA-N 501.425 5.946 50 10 KKGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c1C 1083939282 VZRBUXCTXOUAOB-UHFFFAOYSA-N 511.332 5.284 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl 1084273433 MGMWDFOSMOJZKC-GDNBJRDFSA-N 522.215 7.433 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084299561 PTJWFOTZAXAJLZ-UHFFFAOYSA-N 583.766 5.111 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084333791 VIQQNEZZAWMCSI-UHFFFAOYSA-N 725.876 7.651 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)ccc1OCc1ccccc1Cl 1084392013 IRODXNUZWBYCBQ-UHFFFAOYSA-N 572.061 6.271 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084568926 LWJYLJDGRIMHKZ-UHFFFAOYSA-N 629.360 5.568 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084629544 ZGYLAWTZILVICO-GIDUJCDVSA-N 580.649 7.263 50 10 KKGE CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC=C(C)C(=O)N2)O4)N(CC)CC 1548337570 OPFFQPAPHBUEBG-FTWDIHMYSA-N 868.034 5.923 50 10 KKGE N#C/C(=C/N(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccs1)C(=O)c1cccc(C(F)(F)F)c1 1615949225 GMSPTTNIPRUFIB-SDXDJHTJSA-N 539.000 5.987 50 10 KKGE CCC(=O)Nc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1O[Si](C(C)C)(C(C)C)C(C)C 1616174480 VFAHKRYTIMJHNI-UHFFFAOYSA-N 507.908 9.282 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 1772760350 FIFMDKYUJNSZHA-UHFFFAOYSA-N 518.063 6.924 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865690774 AVCROWVQXFTSNR-AREMUKBSSA-N 579.539 6.751 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865691361 QAQFJTKWLCSQIK-QHCPKHFHSA-N 537.458 5.911 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865693065 RCIBRUPFMAHXLK-QFIPXVFZSA-N 543.849 6.002 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865695895 IULVUIOAGDSPHL-OAQYLSRUSA-N 577.401 6.449 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696419 GKVCAAQZSLPOBI-QFIPXVFZSA-N 523.431 5.601 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1 1865703415 VIZBTNDWLSLEJM-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OC(=O)c1ccccc1 1865705222 OYMWBIZLIWQZKL-HSZRJFAPSA-N 564.495 5.535 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131546 AAYQVNODLYZJFM-GZTJUZNOSA-N 511.397 5.909 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866667622 SGFORNSRVGFJKJ-RUZDIDTESA-N 531.037 5.785 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccn2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866687505 GBMRNLSUIQCCLQ-IHLOFXLRSA-N 564.667 5.273 50 10 KKGE CC(C)c1ccc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866742851 QCTAMJFZEYOLFV-URLMMPGGSA-N 513.707 6.879 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866744242 XHTZLAHKHRUGFB-FTJBHMTQSA-N 505.615 5.600 50 10 KKGE CC(C)c1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)CC2 1868564854 FRRNUBGYTZXWQQ-XIFFEERXSA-N 554.723 8.131 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)sc1Br 1923048110 FNYYXNIZZJMRPM-YFKPBYRVSA-N 609.222 7.997 50 10 KKGE Clc1csc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924570095 DYNXXSYHJDLTEW-ZCFIWIBFSA-N 520.320 7.732 50 10 KKGE Cc1sc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924571314 QKQZDOKQCNIRKH-QMMMGPOBSA-N 544.353 7.496 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)s1 1924586122 UKHPNUZUIUVHQM-LURJTMIESA-N 520.320 7.732 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC3CCC2CC3)c1Br 1924591432 RGURBZCPPWDEJT-VUMZSGCYSA-N 521.938 7.298 50 10 KKGE C=C(C=O)C[C@@H]1CC[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1 1933253025 FSYYQLUMHHYULB-YDNQZRNLSA-N 851.087 6.980 50 10 KKGE CO[C@@H]1CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2006342409 XMWVXVFPJKXFFX-BBVRLYRLSA-N 511.899 6.287 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC23CC3)c1Br 2025779446 HIJLQTDHBJSVDG-SSDLBLMSSA-N 552.724 6.973 50 10 KKGE COc1cc([C@]2(O)CSC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N2c2ccccc2)cc(OC)c1OC 2053622669 JSDRROIIUKUVTG-HHHXNRCGSA-N 538.025 5.138 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccccc1 2053623127 GJPDEEGIFYOPBI-UHFFFAOYSA-N 569.355 5.723 50 10 KKGE Clc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)cc1 2086145025 HYEMDZWXCINXSW-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE O=C(Nc1c(I)cc(I)cc1I)[C@@H](Br)C1CCCC1 2110720026 AIDUZTHDCMPDCH-NSHDSACASA-N 659.869 5.393 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1ccc(I)c(Br)c1 2117888767 UFPUABRNEUSCFT-JTQLQIEISA-N 550.016 5.167 50 10 KKGE CCC(CC)(CC)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472502 FDWOKYQURKWAKC-CYBMUJFWSA-N 584.810 8.389 50 10 KKGE COc1csc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141477600 SEGXBECKLJOELU-GFCCVEGCSA-N 554.323 7.135 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Cl)ccc2I)c1Br 2201079056 QFAKFVDSGTWNDP-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)c(Cl)c1Cl 2203432811 KKPCVWGNXBWMJB-GFCCVEGCSA-N 506.392 6.744 50 10 KKGE C[C@H]1O[C@@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206396841 BKZZOFQQLNDOLE-JRXORCGPSA-N 552.326 6.974 50 10 KKGE Cn1ncc([C@H](Cl)c2cc(Br)c(Br)cc2F)c1I 2218595928 BWHAWVTZNOUVAZ-SNVBAGLBSA-N 508.354 5.017 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)s1 2233024261 VQKSOKWAXVDTRA-CYBMUJFWSA-N 547.932 7.056 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(Br)cc1Br 2258112438 SMUZQTZVOYIWBZ-LLVKDONJSA-N 521.869 6.967 50 10 KKGE BrCCCCCCCOc1c(I)cc(I)cc1I 2263167072 PHKBHRZYJPNYDD-UHFFFAOYSA-N 648.886 6.225 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cccc(I)c2)cc1Br 2295431595 YEQYEKQAXVYKHO-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(OC)c1OC 2295934422 VIKWNOHBXANLOS-UHFFFAOYSA-N 588.129 7.895 50 10 KKGE Cc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@@H](C=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)[C@@H]3C2=O)cc1 2297460340 HUSONRRFIFIIQC-PUZWTLIVSA-N 536.440 6.190 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 2297730734 XAAJGJUOVWIONS-UHFFFAOYSA-N 544.011 5.143 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)c(I)c1 2303547664 YDCDDEWXXLOMOA-OAHLLOKOSA-N 522.608 5.045 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(C)c1 2313571050 MEDLTAQAGYZBAD-UHFFFAOYSA-N 501.797 7.089 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1C 2313676902 WAPYUHRXLQYPIK-UHFFFAOYSA-N 540.255 6.953 50 10 KKGE Cc1c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)nn1C 2314446232 SGVNMAJZCBSIPJ-SFHVURJKSA-N 529.070 6.317 50 10 KKGE Cc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314449521 QQTSYEOMLIEZNW-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 2314490284 WNTIBKLLMQGBLQ-UHFFFAOYSA-N 500.511 5.939 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314616953 NTTUGPFCOCIDJL-UHFFFAOYSA-N 584.720 7.374 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314616994 OOKWKFLRWCKAQP-FQEVSTJZSA-N 518.617 5.788 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1 2314808193 XSQGSCMMVURGKW-UHFFFAOYSA-N 530.621 5.964 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OCCCc2cc(Cl)cc(Cl)c2)[C@H](I)C1 2318686905 AWBJZMHAPCAYLJ-CVEARBPZSA-N 500.204 5.366 50 10 KKGE Cc1scc([C@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2320486955 UXKFMDCGAXOWKE-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 2331430325 FBQAFCRZNPQHDD-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 2331459921 BCOHQJRZRLORGP-UHFFFAOYSA-N 522.468 7.696 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(I)c2)c1Br 2337088196 JGMPVBRHMRJZDV-NSHDSACASA-N 583.258 7.093 50 10 KKGE Clc1ccc(I)cc1COc1ccc(Br)cc1CBr 2352349689 CVMUCEFMVZWIBC-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE FC(F)(F)c1ccccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361179391 VQYOLDJMKFUUIB-FQEVSTJZSA-N 500.152 7.531 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1Cl 2373270 KMORUQHOFFOHIP-HKCIZPCWSA-N 502.039 6.330 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2OCCc2ccccc2)cc1 10510969 PNTDHOGBIGYNRF-UHFFFAOYSA-N 519.667 5.217 50 10 KKGE N#C/C(C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)=C1\NC(c2ccc(Cl)cc2)=CS1 22938699 LOSHWYYYBZGLGA-BXVZCJGGSA-N 527.093 5.686 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 34983878 MKXYEQMXTPESOS-PTGBLXJZSA-N 501.590 6.677 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 38605525 HODHBLVCJUWWEW-WPWMEQJKSA-N 508.622 5.966 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38650687 RXDHGGGMNNYRNY-HHHXNRCGSA-N 518.997 5.948 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1OC 38658980 BBWUSHLOAZXMMJ-HHHXNRCGSA-N 500.551 5.030 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38688731 VQKFCZNDUKGKQO-QHCPKHFHSA-N 518.978 6.009 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 39858838 SNFSLRCUEPSSKY-KAMYIIQDSA-N 511.752 5.993 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1OC 41013222 ZBYZQJLEBMAOKR-LPYMAVHISA-N 516.619 6.033 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 58890631 ZCFRKDCHAOJUPH-VDCJOGLISA-N 506.606 5.509 50 10 KKGE O=C(CCc1ccc2c(c1)OCO2)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 59146482 QBFUUNFKFBWLFD-XPXRSFDGSA-N 503.558 5.005 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 59502635 FQXHOBODUPJMME-CZYCKNNWSA-N 503.474 6.495 50 10 KKGE C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 59680056 RRUBDLITGVERMU-FOKLQQMPSA-N 508.166 5.295 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914586 INWTZXSQUUORPN-SANMLTNESA-N 521.485 5.895 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 100235965 AAEOLSXPGIRUGD-XGUCDPIRSA-N 591.502 6.553 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc(F)c2)c(I)c1 100452314 ZBYHAJDGTCNWGF-OADPBGPJSA-N 611.249 5.736 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245188 NYJUXQMFAMNTFS-IDJUBOEBSA-N 501.583 5.598 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245384 XJIYTEUVMFAPFH-GHRJURJJSA-N 509.675 6.746 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101337642 NQNXYRDDEILACP-QTLXFUBLSA-N 540.623 6.216 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340751 IZCFJLBXYPGLOL-NJZRLIGZSA-N 605.138 7.944 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1 101367248 KKZBDDPNWZCYCI-SSEXGKCCSA-N 534.568 5.720 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101367748 AMLNVHQXJMYASM-WRHNGFHOSA-N 532.568 5.604 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 101374143 LYZRBSPITJEVQZ-LJAQVGFWSA-N 549.023 6.120 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 101374687 KIUNDJFSFPQTTG-JGCGQSQUSA-N 556.659 6.474 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381319 PWYCQYNJBVBMGJ-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384095 UNTFBIIUSYWMKC-HKBQPEDESA-N 552.558 5.616 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385231 NLSMFVQUUHYMNN-PWFRWNHDSA-N 558.634 6.728 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385401 VBFNGEIUPWZIBN-DHUJRADRSA-N 604.703 7.083 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385935 CZBDPFJVQYAONA-XIFFEERXSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101388994 JLAIFWNOSWWLGO-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101393622 IQHIPYYZIAUOPD-XMMPIXPASA-N 610.258 6.712 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCC(C)C 101395457 RWXLNYZEAVTHCQ-HHHXNRCGSA-N 575.086 7.344 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2c1 101398691 UWANCNSIDVMPRQ-YTTGMZPUSA-N 574.608 7.459 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399456 RADCQJIVOVYATD-HKBQPEDESA-N 594.570 7.044 50 10 KKGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101472854 YXTYACWCMTWQFB-UHFFFAOYSA-N 599.695 5.572 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccc(Cl)cc1 101649544 SHGQQHSUHSVAST-KKMKTNMSSA-N 582.676 5.982 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1CC 101751317 UTFBWAXLDGMGTB-UDWIEESQSA-N 553.409 5.211 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Cl)cc1 101906878 WDPZGBPMFPLJBT-NVMNQCDNSA-N 533.647 7.517 50 10 KKGE N#C/C(=C\c1ccc(I)cc1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102620508 GVLDRVJGNKPQCB-FOWTUZBSSA-N 573.868 7.446 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccccc2)cc1 102666405 OAUFOFXWQHPNLU-BSSRNLCFSA-N 565.573 5.947 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1I 103729224 JAJCOTIOPQDYAF-ALQBTCKLSA-N 614.487 5.894 50 10 KKGE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3ccc(N(CCCl)CCCl)cc3)C2=O)cc1C 103812911 WXMAZNPDZKCULK-AQTBWJFISA-N 539.257 5.016 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(O)c(I)c2)cc1 103878591 WPJIBUPWFXSPMB-JVWAILMASA-N 521.358 5.527 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 105509695 KWBVPGOKSPTIQO-KWOFBBSJSA-N 554.312 7.010 50 10 KKGE COC[C@H]1C[C@@H](C(=O)OCC(=O)c2ccc3c(c2)COc2cc4c(cc2-3)CC[C@H](Br)C4=O)N(C(=O)OC(C)(C)C)C1 141073938 RNASTNSTOJLQQE-HDBFHEOPSA-N 628.516 5.136 50 10 KKGE Cn1c(Cl)c(/C=N\NC(=O)CSCc2ccc(Br)cc2)c(/C=N/NC(=O)CSCc2ccc(Br)cc2)c1Cl 150481076 ZVAHZQXQYRIIIB-HBRCHDJDSA-N 720.340 6.624 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 150484318 BKMCECWQNCRSNZ-HKBQPEDESA-N 631.454 6.378 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 150486222 ZJVMOFUGHPAEHB-JGCGQSQUSA-N 653.603 8.967 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1)CCCC2 232484149 KKWCLXBEDXMJMT-KRWDZBQOSA-N 506.019 6.417 50 10 KKGE COc1cc(C=NNC(=O)c2ccncc2)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 252626746 REWMZPDJUKXAJM-UHFFFAOYSA-N 508.018 6.013 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@H](C[C@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O 253608987 OIGMHIMRSGHQEE-QCIZJFCVSA-N 926.263 6.456 50 10 KKGE COc1cc(C(C)=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)ccc1O 254294125 GSJHRWLXWNTNSN-UHFFFAOYSA-N 510.666 5.330 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=Cc1cccc(OCc2ccccc2)c1 254500805 KZCAFBAKFZDXRY-UHFFFAOYSA-N 556.738 6.805 50 10 KKGE N#Cc1ccc(-c2ccc(OCC(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)cc2)cc1 254572612 HZZZCLSGQGAUOS-UHFFFAOYSA-N 527.675 5.930 50 10 KKGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)c2)cc(OC)c1OC 254761021 OVRSTRRVADPWAH-UHFFFAOYSA-N 576.690 6.175 50 10 KKGE CC(=NNC(=O)c1cc(C)nc2c(C)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254899189 XEDVUEMTTBMJHI-UHFFFAOYSA-N 528.428 5.777 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c(F)c1F 398611596 ZRXJYHKVTWITKY-LLVKDONJSA-N 537.793 6.876 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(O)C[C@@H](O[Si](CC)(CC)CC)C(C)=C(C(=O)C(=O)[C@@]12C)C3(C)C 504780725 MGJAFORIYQRETF-SRWYQLGNSA-N 771.109 7.349 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](OC(=O)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1 575180618 SQYDVNQVPKAIHH-CDCCBSOTSA-N 590.822 5.028 50 10 KKGE C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)c6ccccc6)[C@@H]5CC[C@]24C)[C@H]13 653746701 PSSOOMBYWXJQPV-RWWGSWNDSA-N 590.776 7.534 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 725274343 WMLHPKKDUWBVOM-UHFFFAOYSA-N 523.430 7.027 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1 1083877699 CQXABQMITDQATE-QHCPKHFHSA-N 558.416 5.233 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(I)cc1 1083891131 GGYSIGAGTPHWJX-UHFFFAOYSA-N 720.405 8.171 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1083891737 CYBCPDAKTJHQJA-NDEPHWFRSA-N 561.635 5.664 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)COc4ccccc4OC)cc3[C@@H]3C=CC[C@@H]32)cc1 1084245684 IOBCBAODJCEWDY-QEGDFHJFSA-N 525.605 5.228 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)cc3)cc2)cc1 1084283375 RFRSMIRTFGKAQF-UHFFFAOYSA-N 562.091 5.958 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC 1084285187 NAGCMTFBJKGTGE-UHFFFAOYSA-N 546.465 6.777 50 10 KKGE O=C(NN=Cc1ccccc1Br)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1084341089 XRQDNZRJTKMRMX-UHFFFAOYSA-N 512.407 5.984 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 1084413574 UFNMNTPKBOHKSI-JOCHJYFZSA-N 501.366 5.235 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Cl)CCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537979 FRORSYDIKBYDEQ-RTYCRPBZSA-N 505.227 9.635 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Br)cc3)CCC4)ccc21 1772744133 UQHVVXXJJCXDIH-UHFFFAOYSA-N 583.486 7.201 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865688676 YEATVZVCVXGOJL-AREMUKBSSA-N 578.566 6.594 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865689215 MUIQUIAXATZVPS-SFHVURJKSA-N 522.186 5.182 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865692833 JMFMBIAVWMVGQW-SFHVURJKSA-N 539.341 6.213 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697345 QFYYPQISAPBKHB-NDEPHWFRSA-N 506.606 5.673 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701622 ZWTJVLSLXKNOLV-GOSISDBHSA-N 548.210 5.082 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702021 KVJZNAXIHMSLBV-LJQANCHMSA-N 522.205 6.251 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1cc(Br)ccc1F 1865702190 PAVMOZOFPHQOGL-JOCHJYFZSA-N 519.349 5.857 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1C 1865703255 RQVGLLAYDLALFP-SANMLTNESA-N 578.566 6.594 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865705004 JYQRFIRYFJWCIX-HHHXNRCGSA-N 527.024 6.007 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130309 NRVLTZNTXQCBTC-GZTJUZNOSA-N 507.524 5.063 50 10 KKGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866902949 NFWLCZHGTHXCSP-NDEPHWFRSA-N 587.721 5.073 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867179586 RJGITHIVMUHAHC-MHZLTWQESA-N 542.636 5.833 50 10 KKGE CSCC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867181936 CQDAQRSOOFZXQW-QHCPKHFHSA-N 522.696 5.766 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)nc(Cc3ccccc3)n2)cc1 1868207619 PJGTVCBLVOUFOT-HHHXNRCGSA-N 522.653 5.943 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433527 MWINFGCXISQJAM-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)n2)c1 1868505969 OQEBCUCEVRRMDR-RUZDIDTESA-N 574.504 6.809 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2)c1 1868506339 VJTQPAZQFLBOEY-RUZDIDTESA-N 530.053 6.700 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 1872754650 CHFOPUPGJTVCJG-NWIBBQCFSA-N 517.607 5.458 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915129490 AEJXEJYXUCTJLM-AWEZNQCLSA-N 504.060 6.028 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922897315 MOUDOBLXIMYOIC-LLVKDONJSA-N 517.906 7.137 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923067873 JXKUZBWPOIYVTL-ZCFIWIBFSA-N 503.359 7.023 50 10 KKGE Cl[C@@H](c1cc2c(s1)CCCC2)c1c(Br)sc(Br)c1Br 1924600306 PPXVGNBYIAPLCX-NSHDSACASA-N 505.522 7.304 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924600336 QBSYFSFJKXVURN-SNVBAGLBSA-N 572.769 8.088 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995047461 HMDUTARAPDISEF-JTQLQIEISA-N 540.713 6.973 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1sc(Br)c(C)c1Br 2065891308 XIQZQCAOAGUPAL-QMMMGPOBSA-N 521.898 5.870 50 10 KKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@@H]1CCCCC[C@H]1Br 2172539593 LGAOYCVZSUPXFJ-BXUZGUMPSA-N 515.027 5.222 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)cc2Br)c1Br 2201081232 FFOUCTAXDWCREM-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cccc(Br)c1Br 2203001676 IAMPXGRCGDQRJU-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206408237 HYFODMNQNPYWFJ-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE CC1(C)CCCN(C(=O)c2ccc(Br)cc2I)[C@@H]1CBr 2207263709 ZSRGEUAVUAPAIP-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE CC1(C)CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162227 UCYOZGPZDRNJPI-NOZJJQNGSA-N 554.342 7.364 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1scc(Br)c1Cl 2246465380 BMVZOYSEMMKTLF-BYPYZUCNSA-N 520.320 7.779 50 10 KKGE Brc1ccccc1[C@H](CI)OC1CCN(Cc2ccccc2)CC1 2250381801 BAVFSEYWOCPIGS-FQEVSTJZSA-N 500.218 5.606 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 2255962475 DLIBYOIQSFDQLQ-QMMMGPOBSA-N 589.287 7.155 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCC(=O)O)c(I)c2)cc1Cl 2294187471 TWIOZOPXCXPSNF-UHFFFAOYSA-N 575.584 5.025 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(=O)OCC)c1C 2296790155 SOOVAKZQVVHWCV-UHFFFAOYSA-N 507.637 6.293 50 10 KKGE COc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3C)C2=O)cc1 2297368847 ZEQDHPQAFAFMTJ-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl 2297491198 WVERKLUCODLDQA-UHFFFAOYSA-N 500.904 6.882 50 10 KKGE CC(=O)Oc1ccc(-c2ccc(C=NNC(=O)C34C[C@H]5C[C@@H](C3)CC(c3ccc(C)cc3)(C5)C4)cc2)cc1 2297736679 XSZPBTBILPCDDH-CMUINETFSA-N 506.646 6.576 50 10 KKGE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C(C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 2313624453 SUSSYYIKALTCMY-QGZVFWFLSA-N 525.472 5.090 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314490612 ZKDRCXBVEDRZAX-UHFFFAOYSA-N 583.072 8.640 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)c(C)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592598 YJAPHNHINPEIJN-NDEPHWFRSA-N 525.674 6.500 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593041 GKHHSMXFUCCSDF-PZGXJGMVSA-N 539.701 6.512 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314617147 RQCRPHISKNIHAP-UHFFFAOYSA-N 588.689 6.563 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314618728 SLWVQONSGJJOGD-MHZLTWQESA-N 514.585 5.464 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643090 BBUSKGFODONFHK-PGUFJCEWSA-N 572.661 7.118 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 2314770926 HTXMECWIYNITPV-HXUWFJFHSA-N 516.594 5.572 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N[C@H](CCCl)COCc2ccccc2)cc1Br 2343792937 OLVGYSFDPOJLSO-OAHLLOKOSA-N 525.690 5.013 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360493088 OTQXPUKAFIVLFR-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCc2scc(Br)c2C1 2361580510 HEKDLXNNWJYGFQ-UHFFFAOYSA-N 500.481 6.384 50 10 KKGE CC12CC(C1)[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362895235 QAPFGBTZTFURHR-RTUBUFATSA-N 596.777 6.988 50 10 KKGE O=S(=O)(CC1(CBr)CCCCC1)c1cc(I)ccc1Br 2363726946 DSSPKOASEBMJTO-UHFFFAOYSA-N 536.067 5.173 50 10 KKGE BrCc1c(Oc2cc(Br)cc(I)c2)nc2ccccn12 2364107693 VCMUDOVANOBVLJ-UHFFFAOYSA-N 507.951 5.389 50 10 KKGE Clc1cccc([C@H](CI)OCc2c(Br)cccc2Br)c1 2366145790 XZXQCHBEHHWEEY-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 33779574 QPAUPVFPBROVGY-GPSDDGMOSA-N 508.430 5.736 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NC1CCCCC1 35446081 HERNKFOYJCNUDV-BWAHOGKJSA-N 520.608 6.613 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 35446667 HTJHUAMJJPZRPA-ONUIUJJFSA-N 504.011 6.320 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1Cl 38603432 BGJQACDCDGBQQN-LFVJCYFKSA-N 529.040 6.374 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCCC(C)C 38660336 KVKQNMKRHFNGFX-MUUNZHRXSA-N 514.578 5.566 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OCC 38679309 OROBGKCIYBXDKE-LJAQVGFWSA-N 506.558 6.075 50 10 KKGE O=C(NN(c1ccccc1)c1ccccc1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852323 UOAWNMALISDZQY-UHFFFAOYSA-N 504.537 7.103 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2C)ccc1OCc1c(Cl)cccc1Cl 40888734 BKIQZOGEERPZFP-VFLNYLIXSA-N 501.410 6.035 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 58895444 LYGHPFXUWYQNEB-WGNDPNKDSA-N 501.410 5.935 50 10 KKGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCC(C)CC2)c2ccc(OC(C)C)c(OC)c2)c1 97914777 QSKGQJVBAHFIHX-NRSFRHGKSA-N 531.093 5.495 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 97962772 DWPPLQPSLMSBNO-QOWYQCBPSA-N 578.072 5.244 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2=O)cc1OC 101339162 DBYFXFIEYIPCNY-OVVQPSECSA-N 562.601 5.531 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 101340391 FFOSHJYQFSKQEV-AFUMVMLFSA-N 577.464 6.425 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1OC 101366663 UZZREGOAAARUBN-DEOSSOPVSA-N 527.360 5.213 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378689 NAUFFUXODUNWKW-XIFFEERXSA-N 560.650 7.190 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379735 LMJMEWNJKRWNMB-LUASRANXSA-N 591.107 8.053 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387674 IGATYIMRNBUYOF-HKBQPEDESA-N 550.586 6.549 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388559 AZAPIYFDGWPCKB-XIFFEERXSA-N 613.066 6.529 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101394820 UVBSDOYYTULUAE-JGCGQSQUSA-N 580.681 7.709 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101397742 DPTNEASZGIRAHG-PMERELPUSA-N 560.537 5.948 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)CC1 101399468 NVMJNQUJNPYLRI-YMTJQWSASA-N 584.688 7.533 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405912 DSWWTULHPLGXRN-MODQRLIRSA-N 600.656 5.202 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1 102621564 ZMBQOGNSOSHSDM-UXAZKMGBSA-N 591.737 6.243 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 103876798 VGEPTYFVUMZMPS-QLQYKETESA-N 543.070 7.873 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1ccccc1I)OCCO2 109865628 YNSVHJIDGKINNL-HNNXBMFYSA-N 509.963 5.309 50 10 KKGE Fc1ccc(CC(CBr)(CBr)c2ccccc2Br)c(Br)c1 118879026 FDSQWAUMFSPIJH-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE COc1cc(COc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)c(OC)c(COc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)c1 150431305 QRAROORGJBHMHL-RIVOPQIESA-N 670.766 6.247 50 10 KKGE CCCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)N=[N+]=[N-] 198722012 XIAFYLGSFHUSBQ-OZNIXHKMSA-N 572.040 10.530 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(C2CCCCC2)(C2CCCCC2)C2CCCCC2)O[C@H]1N1CCC(=O)NC1=O 204906812 NXFLDYPAAWUSED-WPFAILKGSA-N 620.948 6.901 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206499041 JTTARHVVRXJQHO-IHFHZXHXSA-N 513.546 5.372 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 214232586 ITBNRYHKGLVMQU-JLPGSUDCSA-N 539.592 5.629 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214279210 OGAJWQMHJFKNSE-CEUNXORHSA-N 544.680 6.834 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214305785 NIXSAJMLLWFZSA-VEILYXNESA-N 538.648 5.734 50 10 KKGE COc1c(C)cc([C@H](Br)c2cc(I)ccc2Br)cc1C 234926393 LVASTRFJAYBXEP-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Cc1cccc([C@H](Cl)c2cc(Br)sc2Br)c1I 235904248 BCDSIBHQEQTTSY-JTQLQIEISA-N 506.428 6.514 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1cc(Br)cc2c1OCC2 236031006 BISPAHBIVRUNQU-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(S[C@@H](C)C(=O)NNC(=O)C(C)C)[nH]1 253575602 UUIFRWLBVQVDGI-UKZVYPLNSA-N 634.855 5.501 50 10 KKGE N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NN=Cc1c(O)ccc2oc3c(c12)CCCC3 254746427 DSYRNPZDMQYXEE-UHFFFAOYSA-N 558.663 6.860 50 10 KKGE CCCCCCCCCCCc1nnc(SCC(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)n1-c1ccccc1 254869939 PCCBFUDYPBVEEV-RKFAMLTESA-N 637.850 8.202 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019789 DPPBQRWZBNPFDR-VKRDWETFSA-N 762.561 6.714 50 10 KKGE CC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 256069042 SQMOQKQEYJNUJJ-DLRRGVHTSA-N 635.047 8.979 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34C=C[C@]5(C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@@]3(C)CC[C@]12C)OO4 616588629 IAFGRXRTUBXMRK-MAFJSZSKSA-N 618.852 5.078 50 10 KKGE Cc1nccn1C(=O)OC[C@]1(C)C=C(C=O)[C@]2(C)[C@H]3C[C@@H](F)[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 653736010 KDQORDIHEHLXHX-SFHXUAMPSA-N 594.768 6.866 50 10 KKGE C[C@@H]1CN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 725238780 PRNPRFDKTPEMCG-JIPXPUAJSA-N 584.138 6.321 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 725437831 BGSMEQQSDGMXKP-RUZDIDTESA-N 634.365 6.552 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccccc3C)c2C)cc1 725442532 WULWAKJHBKJXLI-UHFFFAOYSA-N 500.462 5.557 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 1083910230 PPSFQHMWHOZOHY-UHFFFAOYSA-N 523.964 5.403 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2cc(C)cc(C)c2)cc1OC 1083937774 HVECWJUKUZHZAD-UHFFFAOYSA-N 653.599 5.836 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc2ccccc12 1083995847 DIUPSVGNQOPKRG-UHFFFAOYSA-N 579.700 8.348 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1 1084022921 OLZWOIAQHMZZBR-UHFFFAOYSA-N 552.639 7.498 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1I 1084097576 JRMZKVUFZKRMLW-UHFFFAOYSA-N 531.353 5.659 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cccc(C)c3)c2C)cc1 1084115210 QDEGTCVHWVULIS-UHFFFAOYSA-N 500.462 5.557 50 10 KKGE CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 1084130658 WFOPUEBTDLGNRE-UHFFFAOYSA-N 544.655 6.801 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2Cl)c1C)S(=O)(=O)c1ccccc1 1084333687 ZWEHWBMBHSBKLM-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c(C)c1 1084479860 CXNMDMMWIQEKFY-UHFFFAOYSA-N 569.547 6.796 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)cc2)cc1 1084616764 ADWRKIVWSAZYTF-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE CC1(C)CC[C@@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@@H](O)[C@H](Br)C(C)(C)[C@H]6CC[C@@]54C)[C@H]2[C@@H]1OC3 1565534814 KJMGDBGFBNCRQT-GKAWYUIKSA-N 521.624 7.611 50 10 KKGE C[C@]12CC/C(=N\NC(=O)c3ccncc3)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\NC(=O)c3ccncc3)CC[C@H]12 1614465136 LTANJFVUAIWDNA-JQUBFVJKSA-N 526.685 5.391 50 10 KKGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718440 AZMWTPJALNOOST-GOSISDBHSA-N 576.289 5.225 50 10 KKGE COc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)c1 1772749952 SOSHQRNTIZUMHZ-UHFFFAOYSA-N 521.577 6.735 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2c1CC[C@H](C)C2 1772752772 WALNXOFNBJCPJQ-KRWDZBQOSA-N 556.084 6.446 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772755934 IYZQBTKYABADAB-KRWDZBQOSA-N 535.855 6.769 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)ccc1O 1865681790 WZJFFWQIUUDFKR-MUUNZHRXSA-N 530.584 6.024 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1ccc(C)cc1 1865687913 CYPIEGKYENMSNZ-MHZLTWQESA-N 506.606 6.074 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688520 UHNVRJPKAPMOBQ-HHHXNRCGSA-N 507.594 5.068 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865689530 BLTHDORJXZJTHS-AREMUKBSSA-N 527.024 6.598 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865690705 ZENNWTCFBPODGT-VWLOTQADSA-N 547.442 6.531 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691456 SGUNJAADBMDBLY-DEOSSOPVSA-N 510.997 5.692 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1 1865692596 DCEOGWQUJKTZJU-RUZDIDTESA-N 512.997 6.208 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865695040 IEJIZYVEOPJEKE-IBGZPJMESA-N 504.896 5.229 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695058 INCQPDOPUQGQFR-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695701 GSAXUJZAJSMOQA-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696688 JAIYORNYZLBZTD-MUUNZHRXSA-N 521.621 5.458 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697307 PWUBJNUHQMTQFF-SSEXGKCCSA-N 534.660 6.122 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705734 DLDNVXBDRUZPGU-AREMUKBSSA-N 515.529 5.827 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706794 FUJAUBAWKFKWBT-RUZDIDTESA-N 528.996 5.496 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(Cl)c1O 1865707278 SJYXPCRJHISJTQ-DEOSSOPVSA-N 512.997 5.801 50 10 KKGE CSCC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997543 SVGOAGHWUOGPOO-RTWAWAEBSA-N 510.512 6.183 50 10 KKGE CC1(C)COC[C@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414579 NIHWZHLRCRVYIY-QHCPKHFHSA-N 542.108 7.340 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)c3ccc(OC)c(C)c3)n2)cc1 1868527678 FUXWYRGIMDDHOA-MHZLTWQESA-N 565.699 7.028 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872745167 XWBSSJBTSIOZDD-JRURIKFDSA-N 517.676 6.363 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758196 PGCFRRFFPIEFJC-SEDGDDRASA-N 518.019 6.225 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cccc2Br)c1Br 1922896258 CWUCWBAVLKGHSB-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 1924584800 CNXKLFIHAHRXEI-YFKPBYRVSA-N 544.353 7.543 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 1924600388 CTTHPVXASABHOM-OAHLLOKOSA-N 595.976 8.099 50 10 KKGE Brc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924605817 XNDOMUKWPFJAJZ-LURJTMIESA-N 574.777 7.344 50 10 KKGE FC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995048874 VBAVOIGFQJTSHL-VIFPVBQESA-N 544.676 6.675 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1CBr)Cc1ccccc1 2009621986 LSXVLEJZIVFHDY-UHFFFAOYSA-N 505.453 5.044 50 10 KKGE N#CC(=CNc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl 2041576644 VOZPPTGLXOCSLY-UHFFFAOYSA-N 513.324 7.055 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=CC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 2042445812 XUYDSUWSEHZVJC-UHFFFAOYSA-N 526.959 5.058 50 10 KKGE C[C@H](CCCCCBr)NC(=O)c1cc(Br)ccc1I 2117892258 CTPULTFOCGZNLY-SNVBAGLBSA-N 503.016 5.127 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)oc1Br 2136374210 KAGGIJXAYNJCND-CYBMUJFWSA-N 515.865 6.977 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c(F)c1Cl 2136967898 ZNEQKJUXOPNTEJ-QMMMGPOBSA-N 515.826 7.295 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2ccc(Br)c(C)c2Br)c1 2138848378 ASMYWBAVSNDCFL-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c(F)c1Cl 2201608392 NGYSZWKCSMRLLB-NSHDSACASA-N 554.248 7.390 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(C)c1I 2202997595 AGTBMSDOCWKFIH-CYBMUJFWSA-N 530.425 6.508 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2203011681 PQWKLYKMQYPFOO-ZDUSSCGKSA-N 548.294 7.120 50 10 KKGE CCn1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2206394557 HZVVUPSRVICHKX-NSHDSACASA-N 615.183 7.044 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@@H]32)c1Br 2206397741 MHTILAHWXYDWCL-HWFMCPSMSA-N 594.761 6.596 50 10 KKGE FC1(F)[C@@H]2COC[C@]21[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397785 MVFRSYXDQLAOHJ-DIMCTHFVSA-N 560.252 6.298 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1I 2217864219 IKLSIVFEPITGKZ-SECBINFHSA-N 629.775 7.433 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2218595659 ABSAWPDXTYUJAE-LBPRGKRZSA-N 521.869 6.967 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 2225635713 WTGYFOBKIVLLQB-CYBMUJFWSA-N 583.258 7.046 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)cc1Cl 2295402935 RGWWZLXELSKWNP-AWEZNQCLSA-N 515.517 7.934 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=CC=Cc1ccccc1 2297100692 ZRBKVJICESHKHH-UHFFFAOYSA-N 518.646 5.940 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 2314415158 ZJZFPMBZICCBNI-UHFFFAOYSA-N 510.622 7.792 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1I 2314449242 OMBUAWTXZGTVRF-FQEVSTJZSA-N 572.078 7.425 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)c1 2314476759 VERHXAQNGSJDGC-UHFFFAOYSA-N 539.661 5.424 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591761 DJEUGNZWTOYMJQ-RUZDIDTESA-N 546.490 6.385 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594106 ZDKXLIJDCZAKCF-DCFHFQCYSA-N 530.093 6.767 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314617370 WZTFTAGVQGYHFB-UHFFFAOYSA-N 506.606 5.781 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314619118 ZYICXFRRRBMRHH-UHFFFAOYSA-N 546.627 6.268 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643226 JOFSWPZEPPWIGE-UUWRZZSWSA-N 593.079 7.463 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccccc1I 2316178405 PAXAVTRYXBDISX-CQSZACIVSA-N 500.037 6.552 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc(Br)c2)cs1 2331431955 HJWWODCWHWCTNC-UHFFFAOYSA-N 523.455 8.369 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1 2331450730 SQDUXXMJTUGYPW-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Cc1csc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2335290280 PAGHPPLJLXWNNX-JTQLQIEISA-N 511.863 7.512 50 10 KKGE ClCc1ccc(OCc2ccc(I)c(Br)c2)c(Br)c1 2349805034 UBABWWPTSPFELK-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE Fc1ccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(I)c1 2360428139 ZBRKGQYLCZFUSU-NSHDSACASA-N 556.797 7.123 50 10 KKGE Brc1ccc([C@@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362237056 DXHVPHICUQESSI-OAHLLOKOSA-N 574.876 6.667 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cn(C)nc2Br)c1Br 2365195083 YJMVICHKCUJNFG-JTQLQIEISA-N 531.868 5.509 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1scc(Br)c1Br)CCCO2 2369616805 VCQAEDXXHKFMNJ-GFCCVEGCSA-N 545.916 6.845 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 7018841 GKARXHQCKRTHNM-QPQMVVSWSA-N 552.881 5.845 50 10 KKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 10683729 SSMWBBUAEXJJJX-DYESRHJHSA-N 519.480 5.644 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38685165 CTSYJHTYRSRADQ-CLYVBNDRSA-N 502.542 5.596 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc21 38686228 CUIUNDOFSBPTJF-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 39885020 FRDVWJNDFSVUNS-NTEUORMPSA-N 502.220 8.204 50 10 KKGE Cn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nc2ccccc21 58990446 YCICHPHJJWKRNE-VULFUBBASA-N 509.429 5.157 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100147143 VLCQTQDVHMWALD-UHFFFAOYSA-N 550.519 5.246 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1Br 100173404 IKRCBRZYELUEJS-GOSISDBHSA-N 564.546 5.636 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 101013285 RFQIFXZLXMFIHN-BRPDVVIDSA-N 572.712 5.361 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 101115310 JJVGDHJKTUMCKC-SDXDJHTJSA-N 532.522 6.349 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 101338992 JIESKODGPGQTCS-ZTKZIYFRSA-N 597.741 5.495 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 101368679 WEKAXXYUJKLSAE-NDEPHWFRSA-N 544.604 5.212 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101372921 SPAZETQFDXPSIC-MHZLTWQESA-N 549.421 5.831 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101374130 UDGKZFYKZUHXHT-QHCPKHFHSA-N 604.528 6.162 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(C)cccc5C)ccc43)cc2)cc1 101378662 LZJPHBCKWJOQON-JGCGQSQUSA-N 546.623 6.393 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378696 ODFKWNMTJQBMOS-UUWRZZSWSA-N 574.677 7.580 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378914 WKSBYVLORLNPSB-XIFFEERXSA-N 560.650 7.190 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(Cl)c5)ccc43)cc2)cc1 101378939 JSFDOQYLARRMOF-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385527 AYVHXTRYVYIMRX-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386770 DOMVBRGFLMTKTG-FZYZMVIOSA-N 584.575 6.143 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389021 NANKZTXWZUAOGJ-XIFFEERXSA-N 594.639 7.028 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393797 NMXTZPANAMVNGE-NDEPHWFRSA-N 524.960 6.578 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(Cl)ccc6c5Cl)ccc43)cc2)cc1 101397394 ZFUFFZBIIXNRJR-LJAQVGFWSA-N 613.522 8.533 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397877 YAZGBAHEQPKRIJ-KYJUHHDHSA-N 550.542 5.368 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 102419664 SLRLGDUPODJGFF-CYVLTUHYSA-N 509.974 6.777 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 102666217 CGVYTGAQEVVDFD-QIBQIDICSA-N 522.457 5.779 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1I 102934437 MBMRFYJAVLIJHV-BOPFTXTBSA-N 549.195 6.723 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103729460 JMYGGZOVBSAKED-UXHLAJHPSA-N 539.548 5.448 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 105071575 JXCPNGXUAXFNAL-ATZGPIRCSA-N 563.437 6.873 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(Br)ccc1Br 122331514 XDNWWMFQSGZVTJ-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150463886 DDMNOPOSYFHSRZ-SGKMTROSSA-N 660.752 5.338 50 10 KKGE C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)CC(=O)N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 163777388 LHMLAZXXRXFKSK-CDMFRZDWSA-N 636.837 6.845 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1 163807603 LVPKRQHCULWWSD-IPBVOBEMSA-N 719.086 6.887 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164013903 KKIIWNZWYACVGX-ZYGDQOFCSA-N 675.661 5.616 50 10 KKGE C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 199255038 PJXWXHJDJODISP-JSXRDJHFSA-N 541.071 6.076 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)ccc2Br)ccc1I 232341421 MSDFIRYOIPTEMW-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 234862423 FJCRNEMYBCVHFU-LLVKDONJSA-N 537.868 6.668 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@H](O)[C@@H](Br)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3 253388570 KJMGDBGFBNCRQT-DRCWKFQASA-N 521.624 7.611 50 10 KKGE O=C(CCn1c2ccccc2c2ccccc21)NN=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 254377850 JOHTXUHJYQZQSZ-MHZLTWQESA-N 580.688 6.883 50 10 KKGE CC1(C)[C@]2(C(=O)O/N=C3\C[C@@H]4CC[C@@]3(C)[C@@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@@H]2Br 256020109 YPMAEAXWRRXLMA-OYMMUFCFSA-N 633.057 6.793 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1ccc(Cl)cc1Cl 256028532 SPWZJMQTEBXCPO-UHFFFAOYSA-N 577.313 5.020 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)c1 616673051 UGBDIYGXPMKFRU-NDEPHWFRSA-N 525.926 8.419 50 10 KKGE CC(C)(C)c1ccccc1NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237348 DUGPDEZLBXEOJA-JOCHJYFZSA-N 508.993 7.016 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 1083927123 GRZGNNPSWQIATQ-UHFFFAOYSA-N 572.467 8.242 50 10 KKGE C#CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 1084078574 LUTDZRZPZWCVTH-UHFFFAOYSA-N 552.472 6.720 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1F 1084246482 UAGYPYOWMAOKGA-CXUHLZMHSA-N 597.211 6.870 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 1084270276 RWMORSJYTHBCFQ-UHFFFAOYSA-N 661.007 7.279 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747383 HCIBCPPNPJRCCI-UHFFFAOYSA-N 506.946 5.213 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749010 GFLHQSRKGGGDOK-UHFFFAOYSA-N 537.399 6.503 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772755763 RBXUVPAHPGBHSX-UHFFFAOYSA-N 501.808 5.773 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccccc1C 1772756023 XTIJGADTVDCNSJ-UHFFFAOYSA-N 525.443 5.963 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 1857657185 LMCNYCSDWPLKPZ-SDIKKSMWSA-N 505.227 9.203 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccc(Cl)c(Cl)c3)cc2)cc1 1865692726 HRGCAWLPRHQPPG-GDLZYMKVSA-N 579.487 7.952 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865692998 KLUUFOSBRAHKTM-DEOSSOPVSA-N 512.997 6.208 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695281 NCQSRZSOCYCFLZ-LJAQVGFWSA-N 573.068 6.791 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703895 ICTAZMRLKUITJC-VWLOTQADSA-N 547.442 6.683 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708354 UXGDTFPKWQWKKT-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712328 VRUCFFIWDNHZOG-AREMUKBSSA-N 531.443 6.598 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)C[C@@H]2c2cc(Cl)ccc21 1868564706 DLCVARCJOYECSZ-RUZDIDTESA-N 568.106 6.190 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cc(Br)sc2Br)cc1Br 1901654107 NSEVWMFHRWMDFO-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1c(Br)cccc1Br 1901795766 VBQJFFBSCLRGRT-MRXNPFEDSA-N 563.068 5.447 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(Br)c2Br)c1Br 1922912799 QVRHLLIYUIFOOC-JTQLQIEISA-N 538.324 7.435 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924600349 QGCMIQUCUHMDQR-SECBINFHSA-N 598.774 7.291 50 10 KKGE Cl[C@H](c1ccc2sccc2c1)c1c(Br)sc(Br)c1Br 1924604656 GBTKHCLCVLWQHS-LLVKDONJSA-N 501.490 7.579 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1sccc1I 1948505908 XEAKIRHILAHBCE-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CCC(CC)(CC)[C@H](Br)c1c(Br)sc(Br)c1Br 2011188963 SIGSWMJWPJECQT-SECBINFHSA-N 511.943 7.688 50 10 KKGE CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012747 JNQCVHANFYXNMP-IQGKRCQISA-N 630.590 10.101 50 10 KKGE N#CC(=C1N[C@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 2040498631 ASDUWEGXRQTMRO-CTNGQTDRSA-N 536.398 6.143 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)ccc2Br)nn(C)c1Br 2049257935 IKKGTAHTGSKXNN-JTQLQIEISA-N 501.842 5.500 50 10 KKGE CCO[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494231 KPKIIKVLOJVGMO-RHFNHBFPSA-N 570.739 6.598 50 10 KKGE Brc1ccc([C@H](Br)c2cc3sccc3s2)c(I)c1 2086145111 ISZKBELEFNXUGD-ZDUSSCGKSA-N 514.045 6.814 50 10 KKGE FC1(F)C[C@]12C[C@@H]2[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472099 ZUEKVJVKWZTQMY-OOWWRKSUSA-N 588.704 7.218 50 10 KKGE COc1cc(F)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2202914960 ZBYFJSFVIANEPB-CQSZACIVSA-N 534.388 6.292 50 10 KKGE FC1(F)[C@@H]2[C@@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]21 2206396435 WQQRLGJRSVACDQ-KWRDXHJWSA-N 602.731 7.464 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1Cl 2232528909 VIOZIMPIYFBTOJ-AWEZNQCLSA-N 546.322 7.729 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cccc2I)c(C)c1Br 2255966187 OZLOXUNFPPDFJT-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE CC(C=NNC(=O)CNc1ccc(C)cc1)=Cc1ccc(C=C(C)C=NNC(=O)CNc2ccc(C)cc2)cc1 2296646578 YOJAOIFOIXVWSI-UHFFFAOYSA-N 536.680 5.538 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296789910 AUJHMJDFNSLZOC-SFHVURJKSA-N 535.691 6.905 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)ccc1OCC(=O)c1ccccc1 2296790083 MWBQGZZMJDRQCN-UHFFFAOYSA-N 599.462 7.013 50 10 KKGE COc1ccccc1OCCn1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc21 2296936054 WLJNWKPFWCLXHH-UHFFFAOYSA-N 521.602 5.897 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12 2297534120 GLVBTPLUQGNACG-UHFFFAOYSA-N 642.415 7.987 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2sc(Cl)cc2I)n1C 2300955476 MQXIQEKYNWJUIY-ZETCQYMHSA-N 510.420 5.295 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1sccc1I 2313819161 NGYFRDLDZPFQMM-SECBINFHSA-N 544.836 7.045 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(C)c1Br 2314445138 PXFRQVAPRLYGHD-IBGZPJMESA-N 500.683 7.797 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCc1ccccc1 2314476465 PATHLHDEIJVMHR-UHFFFAOYSA-N 565.699 5.327 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cl 2314532872 NQQMOERZGGOZTP-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Br)c1 2314533595 SDIPZZMQVSCLEN-UHFFFAOYSA-N 531.366 5.112 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1C 2314533904 VAYZYQRCFVSPBY-UHFFFAOYSA-N 519.388 6.265 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591667 AUYYIJDNKKKAFS-VWLOTQADSA-N 535.591 6.641 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593867 VDOXAVRMWYGDPF-VWLOTQADSA-N 570.036 6.718 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314618029 GBMWKTFVGPTESD-SSEXGKCCSA-N 588.639 6.029 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314618755 SXNSINDFYWDZJW-UHFFFAOYSA-N 557.654 6.152 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)sn1 2317405060 WXVVSGLNJOFSGE-VIFPVBQESA-N 522.857 6.362 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(I)c1 2317772394 BZXRGSQLADWMMZ-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)cc1Cl 2331397467 GGXJAFOQNKENDD-UHFFFAOYSA-N 511.430 7.931 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 2333303765 SHQYFAOPZQJDCW-QUYDWZKXSA-N 582.750 6.740 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336044443 ODXRFRYCODHLAU-LJQANCHMSA-N 559.523 8.123 50 10 KKGE CC[C@](C)(C(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336594375 BCOVLLMZZFNLQN-PWSUYJOCSA-N 548.285 7.698 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2c(Br)cnn2C)c1Br 2365188176 IUWFQGVHRILQAQ-JTQLQIEISA-N 531.868 5.509 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29491578 XVCORLQHZFTCOI-QLYXXIJNSA-N 588.737 6.775 50 10 KKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 33568597 LMXICJNSUFDLPW-NCELDCMTSA-N 511.541 6.660 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 35446216 UBBSDEAPGSRKHO-ULJHMMPZSA-N 510.569 5.317 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 38603980 UBBPJWPLHVDKPS-LPYMAVHISA-N 527.448 6.754 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38660211 FPVSCCQDDAGCSZ-SANMLTNESA-N 515.522 5.220 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38680027 PPGHFSLBABSLGA-CPJLOUKISA-N 523.416 6.708 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 40934376 ZYZBGSNOGHNDGX-KOEQRZSOSA-N 522.557 5.553 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1 58889223 LOGBUMHTSQKGTK-RJNBOEKGSA-N 501.808 5.645 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 100189047 OUGNPWRODCRLGQ-UHFFFAOYSA-N 540.483 5.096 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 100236142 MKALJBRRZSWSOZ-POBUXNOSSA-N 585.451 5.098 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 100237697 DUQLEIBSEWCUKE-OPJDEBTLSA-N 603.413 5.141 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100288071 LUUAMHBJIUESIJ-HNNXBMFYSA-N 564.274 5.484 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 100452279 PXGFPSJNBKVVND-OADPBGPJSA-N 536.253 6.299 50 10 KKGE Cc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)C[C@H](c2ccccc2)C3)c(C)s1 100716597 YVAPLEWWMYEIBY-WXTAPIANSA-N 548.481 6.965 50 10 KKGE O=C(N/N=c1/oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1cccc(Br)c1 101124177 BRSBMKYXKHXRAS-GKPLWNPISA-N 526.415 6.871 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCCC(C)C 101374956 GSSITSLETLKBCJ-JKDJLUCVSA-N 559.062 7.001 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381218 LWMJRNPGBUOIQU-YTTGMZPUSA-N 615.513 8.189 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385473 CLCTYZDRDDYNRT-AOXBRHMESA-N 604.703 7.297 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386883 VISXGZGVCKYDNP-UMSFTDKQSA-N 594.639 6.739 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387621 AZHYDIPJPJNIIK-YTTGMZPUSA-N 546.623 6.719 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101393165 PRASYZRNEWWWBU-GDLZYMKVSA-N 552.583 5.808 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCC(C)C 101395490 VEZINYKWXUUSCF-NDEPHWFRSA-N 538.556 5.274 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399161 DRIDHEXSTWGWCF-JSOSNVBQSA-N 597.023 5.891 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613722 PZNJHODPUBDCOG-FEZSWGLMSA-N 585.458 5.563 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614103 NIPMOILCZQPCIN-MDUFYKDISA-N 539.405 5.337 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl 101906077 ONOBNZMSTMAPRQ-MFOYZWKCSA-N 532.221 6.889 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 102832671 AGICTHKWSIXCKU-QXPFVDMISA-N 550.055 6.024 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 103887483 SQMCKJSGSWKSMY-ZDLGFXPLSA-N 607.673 7.140 50 10 KKGE CC[C@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@]2(Br)C1 118921101 MYLPOKATQGVMSF-DOPORJSJSA-N 644.617 10.347 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150462267 GLUVIJJWTGWROR-WJOKGBTCSA-N 627.480 8.073 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)COc4ccc(Br)cc4Br)c3C)sc3c2CCCC3)cc1 163792588 NANYBXAHUFBGJC-AABVJFSESA-N 698.481 7.649 50 10 KKGE COC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206303861 UZIRMHJCEJNBNL-WFWALWOCSA-N 513.546 5.290 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214249711 WEVRKCYZLOKCJH-MIXAMLLLSA-N 528.612 6.119 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214335002 BTQDLPCCSNMADZ-KZHXZKIASA-N 584.720 7.852 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214357264 RBLZHOJCEZQTJQ-IWIPYMOSSA-N 537.576 5.381 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(OC)c1Br 234992835 BIEFHODFFFFQQN-JTQLQIEISA-N 549.904 6.537 50 10 KKGE O=C(NN=Cc1cc(Cc2ccc(O)c(C=NNC(=O)c3ccc(Cl)cc3)c2)ccc1O)c1ccc(Cl)cc1 252625381 QIYJVUIMDQBUDH-UHFFFAOYSA-N 561.425 5.523 50 10 KKGE O=C(COc1cccc(Br)c1)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1 254438557 ZIOZPVXJKZTVOT-UHFFFAOYSA-N 731.191 6.942 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 254699226 MBUFUWVKSJFTHK-UHFFFAOYSA-N 576.653 5.519 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 254854663 RZCOUDYYKGBHCA-UHFFFAOYSA-N 574.707 5.049 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254855423 VWWABGKZJXXWBJ-UHFFFAOYSA-N 571.762 7.635 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C\c3ccccc3)nnc2-c2ccccc2)cc1 254866239 CAFFUOLNXXBYED-INGPAJSMSA-N 562.493 5.963 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@H](O)[C@]1(C)O 256001227 SGGANCFJEHZNCI-SQVCRYJKSA-N 979.452 7.344 50 10 KKGE Fc1cc(F)c(F)c([C@H](Br)c2cc(I)ccc2Br)c1F 396115857 XIROMWDMCMELBF-LLVKDONJSA-N 523.887 6.094 50 10 KKGE CC(=O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 575232293 LCXLHTFPYBKMHM-ITKOTJEWSA-N 645.159 8.965 50 10 KKGE in-vitro CCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 725390357 NHZCWIWCFOYKOI-GGAORHGYSA-N 507.412 6.043 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 1083962966 QHCVSRWXSSQDFH-WJOKGBTCSA-N 594.539 7.343 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12 1084105296 IKTHUMLCQVHWBH-UHFFFAOYSA-N 527.671 6.670 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1 1084288730 KVTZJNIISFIMNA-UHFFFAOYSA-N 579.122 5.800 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cccs2)cc1 1084320895 MHMLFTPTGUSLGB-UHFFFAOYSA-N 524.067 5.869 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084360318 USFZQFHWKKIKCR-UHFFFAOYSA-N 589.039 6.112 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl 1084481356 ZVQRHKUVHFOEEA-UHFFFAOYSA-N 662.437 6.547 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2Br)c2ccc(C)c(Cl)c2)cc1 1084493564 VCRIUDKGJHCOEI-UHFFFAOYSA-N 534.863 5.065 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(I)c2)cc1 1084577585 IOWMJKCMRXFUCS-UHFFFAOYSA-N 629.473 7.539 50 10 KKGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2Sc2cccc3cccnc23)cc(OC)c1OC 1084640569 LUAWILJOVLQYKX-UHFFFAOYSA-N 518.551 5.084 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1 1084654629 NGGRNZSTORPNOL-UHFFFAOYSA-N 567.867 7.319 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 1772755188 SVWDGBLKLBTNSS-UHFFFAOYSA-N 503.649 6.030 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682539 QZMHQYCTJBACCV-MHZLTWQESA-N 519.004 6.632 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686259 SODYTYCIZCCRNM-QHCPKHFHSA-N 572.279 7.439 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686947 FSXZGCWGWYRXTN-SANMLTNESA-N 557.448 6.003 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687303 OCESIKINDKKPTO-WJOKGBTCSA-N 570.649 6.662 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCCc1ccccc1 1865688111 JRDQGMJFKAFZCZ-SANMLTNESA-N 560.576 6.107 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689039 IJRIZJBDSRPZGB-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865690984 GQYLKYDFXZNOCS-JOCHJYFZSA-N 523.431 5.272 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865691186 LVWKOSDRTJPEBT-HKBQPEDESA-N 578.713 7.101 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691565 VNOYUFHSYZMOJQ-SANMLTNESA-N 555.506 6.986 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865693667 XTQSHILPYIBTFZ-HHHXNRCGSA-N 573.491 6.892 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OC 1865697497 UUQJTKCRIPQONW-MHZLTWQESA-N 506.606 6.004 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697862 DFDYWLDFJNTOQX-JOCHJYFZSA-N 557.876 5.924 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1 1865701038 KHMVUHPUHAFRJE-HHHXNRCGSA-N 530.987 5.838 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865701713 CKXSZABRXQDFOQ-HXUWFJFHSA-N 536.385 6.321 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702694 ZRQFERYFWGOALH-JOCHJYFZSA-N 551.803 6.321 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865702831 GIIHGRNSTSYNJE-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 1865703828 GNSFVNGQNHSYLG-RUZDIDTESA-N 564.995 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc(Cl)c1O 1865706918 IRCRYOXUWCQMMU-NRFANRHFSA-N 539.806 6.432 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707300 SWJONAMAWIBOBK-GDLZYMKVSA-N 503.650 6.047 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865709300 UARLAURZYRQLOV-HKBQPEDESA-N 565.674 5.588 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866661039 MAHSGQZKEBWHLS-VWLOTQADSA-N 549.027 5.924 50 10 KKGE CC(C)[C@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866749093 PHLROSMFHNITQH-SVBPBHIXSA-N 535.710 6.585 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867182834 XPLNLXOIDIJEOO-MUUNZHRXSA-N 538.673 6.255 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868301733 VXWGBGJVNBSXJS-DHIUTWEWSA-N 506.679 6.872 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCCc4ccc(N5CCCC5)cc43)n2)cc1 1868544785 KJIFMCDRAYMFCK-UHFFFAOYSA-N 560.771 8.442 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)n1 1872756316 XBXGFAYOFPRMTD-XDOYNYLZSA-N 502.552 5.413 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OCc4ccccc4)c3)n2)cc1OCCC 1872789957 AOVSBLSMMOIJGQ-YZSQISJMSA-N 510.659 8.031 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 1873794825 CFBHJHKRBVJLSU-PXGAOIJESA-N 508.446 5.962 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(Br)c2F)c1Br 1922896896 JFSDBBQMJAHBFB-SECBINFHSA-N 521.869 6.967 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(I)ccc1Br 2030224163 XEFSMNSZPFCJJD-CYBMUJFWSA-N 564.906 6.924 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085493408 BOUFVFDFIOARAR-NXEZZACHSA-N 532.242 7.062 50 10 KKGE BrCc1cccc(Br)c1OCc1ccc(Br)cc1Br 2092267698 RAFPRENEHNLPJZ-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE COCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 2134740771 HOFFGIKTWMISPN-SNVBAGLBSA-N 533.905 6.666 50 10 KKGE Cc1csc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Br 2136370075 HKNWQPOYSYKQNC-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471656 UTAHASODWJAADE-WAYXCLAOSA-N 584.766 6.986 50 10 KKGE BrCC(CBr)(Cc1cc(Br)ccc1Br)C1CCOCC1 2175151874 HZHOPGFVBDCKIA-UHFFFAOYSA-N 533.924 5.957 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1Br 2206393933 CTGONWPMKONINB-GMVJNNPSSA-N 598.749 5.834 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206395448 OGMCAFDDUOWPHW-LLVKDONJSA-N 676.060 8.637 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2206580332 QTKLSICVKNXYQZ-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(Br)cc1I 2207267325 KVUSJODDRSIWGB-CQSZACIVSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)cc2)c(C)c1Br 2227353967 VLXIQCRONAMYLL-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)s1 2233017760 CDTVABZTPOOXCY-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2257224905 UGMAMHVPSXTYRP-XPUUQOCRSA-N 523.910 6.431 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1I 2285004921 DZSFSPCMDAMPRB-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293198286 QHDXEQMIJOEQPL-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198403 IBOJOJXKNCSZBK-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 2296506692 ABFFFRVBNOEEKX-XMMPIXPASA-N 532.021 5.582 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 2296506774 DVHFPFQATOWSPO-VWLOTQADSA-N 502.039 6.330 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 2296727005 FXUPAIDMRIIWKV-UHFFFAOYSA-N 579.458 5.645 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790185 VHFMVNKYPMPDHF-SFHVURJKSA-N 526.127 7.829 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2OC(=O)c2ccc(Br)cc2)cc1 2297321418 WATPKOVJJYARED-UHFFFAOYSA-N 735.389 6.326 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(Br)C2)c1Br 2300179818 XNRPPYBGWCWKKA-UDSLYJHRSA-N 514.252 6.614 50 10 KKGE C[C@@H]1C[C@@]2([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2312064005 MZDJDHOBYQNASX-PLSZNQMNSA-N 566.751 7.219 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 2313518567 JJPAQUUEOLUVPI-UHFFFAOYSA-N 603.254 5.865 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521449 OVSJYCHTPOKFPI-UHFFFAOYSA-N 583.382 6.031 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568637 XIZSLHSTUOQWSL-UHFFFAOYSA-N 662.753 6.542 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2F)cc1 2313571114 NQGHHURPAVDMKY-UHFFFAOYSA-N 534.418 7.665 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592568 XTMAFSXVLBAHPC-VWLOTQADSA-N 502.039 6.276 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C(C)=C(C#N)C1=O 2314610099 CPOKWJWBZZLEKX-HSZRJFAPSA-N 597.741 5.352 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 2314616680 HDZHLSUYVIOMQF-UHFFFAOYSA-N 524.596 6.002 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616858 LFLZAYVNSWAMKU-UHFFFAOYSA-N 700.795 8.124 50 10 KKGE COc1cc(Cl)c(C)cc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324609741 WCKHJRAEFUVPDY-UHFFFAOYSA-N 501.030 5.410 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1Cl 2331044511 UZKJUTARXHQWEZ-UHFFFAOYSA-N 510.034 7.200 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2c1 2331046567 ULJFYAXYMNMLHY-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 2331345912 JCRMBLCVTBWBAO-UHFFFAOYSA-N 508.556 6.926 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OC(C)=O 2331353985 VXFDBUDCYFLQKG-UHFFFAOYSA-N 504.608 6.691 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 2331364615 QLKPKMHDRYNSJL-SFHVURJKSA-N 508.043 6.552 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c(OC)cc1Cl 2331377350 NSYDHOICVQLKNA-UHFFFAOYSA-N 502.892 5.555 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1Cl 2331377502 FQWDAUOKOFMBLK-UHFFFAOYSA-N 502.979 6.662 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331411070 KHADJFNGYTVAQY-JLCFBVMHSA-N 507.999 5.976 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@@H]2CCCO[C@@H]21 2333303599 LOAOIQRVFYRWBR-ZRGCEPCHSA-N 538.299 6.442 50 10 KKGE BrCc1c(Oc2cc(Br)cc(I)c2)nc2sccn12 2338758914 UQDZIADSYJACHX-UHFFFAOYSA-N 513.980 5.450 50 10 KKGE Clc1ccc([C@@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2349843433 VPIWFRCEHPXJFE-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2nc(C)sc2Br)c1Br 2365216304 STNFDKQMBLMCEY-SECBINFHSA-N 548.920 6.540 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Cl)cc1I 2365595227 HWIVGSUHLIUDIA-LLVKDONJSA-N 573.252 7.637 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(F)c1 2367458829 KFYCNNIVMBAMSB-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)c1C 38678831 XIJYSXZSAPLHAH-VWLOTQADSA-N 505.368 5.269 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 38683786 FXEPOEBHBRECHA-SANMLTNESA-N 504.970 5.965 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38685566 GHHQXLPWKZHAGY-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 100206168 DZCIOOQIDYJVOV-UHFFFAOYSA-N 564.480 5.664 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 100237877 NASADKZARCPNTQ-WYDFGVIMSA-N 588.442 5.241 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 101336246 AYGXOBHQAYWELJ-ZTKZIYFRSA-N 552.675 6.126 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101337704 XXVSWRQVXDWWOQ-KUMIJIMYSA-N 590.683 7.472 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339131 XRPNAGMLNRGIGU-ZTKZIYFRSA-N 588.664 5.790 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341327 QDRVVFMJESMVAI-TURZUDJPSA-N 568.699 5.977 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101376984 XAGHZPQVBNCXHT-NDEPHWFRSA-N 553.442 6.765 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381168 MBOQJUZGPXUQGW-NDEPHWFRSA-N 612.296 8.317 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381541 HSDCOPBTQDJQIT-IFQLAXCMSA-N 534.999 6.756 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 101381906 WJVPPIXLAHRLKQ-JGCGQSQUSA-N 544.651 7.309 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101385959 DPSNCENOHCYGOK-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccc(F)cc12 101398418 NJONQLSYRACZGO-PMERELPUSA-N 580.999 7.550 50 10 KKGE O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 101647167 ADHFTWNODWTAPJ-SLMZUGIISA-N 533.209 5.202 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1 102933384 LVAHAPSJKCSHGU-YVLHZVERSA-N 573.318 5.472 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC#N 103877383 NJOOREGHWXXBCN-FDAWAROLSA-N 590.421 5.732 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103877968 OGXDEXXHRCKVPP-UZWMFBFFSA-N 558.476 6.943 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150479201 KKFVNFMHRDNVLB-LJAQVGFWSA-N 656.349 8.715 50 10 KKGE CCCC[C@@H](CC)COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)cc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 196302998 GBXUVXOGJJQZOR-VZUYHUTRSA-N 786.977 11.279 50 10 KKGE CC1(C)OCc2cc([C@@H]3CN(CCCCCCOCCO[Si](C)(C)C(C)(C)C)C(=O)O3)ccc2O1 198013660 SJCPLGWEKRHDOC-DEOSSOPVSA-N 507.744 6.424 50 10 KKGE O=C(CCN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 211936252 NBFRJOZRDMDKNF-NBVRZTHBSA-N 537.132 5.261 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C2=O)cc1OC 214369395 YMVOXQPQHRYUAA-IMRQLAEWSA-N 602.647 5.163 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1Br 236170842 WZRQSBVVCNMMMH-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254287771 GGVAJLDIZKITQV-HLSVZTPISA-N 551.603 5.622 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)ccc1OCc1ccccc1 254442879 PCJCKWHDNYWJGJ-UHFFFAOYSA-N 624.788 6.464 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254531973 SHWFPFKZQTULME-QXJWQFGSSA-N 555.704 6.157 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(=O)O)cc3)n2-c2ccccc2)cc1 254619112 IFTPTSSUMXBXIB-UHFFFAOYSA-N 513.623 5.172 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2OC)cc1 254630005 ODVUJIKCPWDAOZ-UHFFFAOYSA-N 538.600 5.964 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cccc([N+](=O)[O-])c4)S(=O)(=O)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 254742755 SKHFGGLUJKSTAS-WIAUUWKYSA-N 679.755 5.944 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C)[C@H]2Br 256019938 MXZBYHNXKPRTPT-KOYFVTJOSA-N 644.444 8.344 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CCC(=O)NN=Cc3ccc4c(c3)c3ccccc3n4CC)ccc21 257354212 WKAUPNOXRBOXRG-UHFFFAOYSA-N 556.670 6.323 50 10 KKGE CCCOc1ccc([C@@H](Br)c2cnn(C)c2I)cc1Br 379220337 SLBWBPIWAXFGEC-CYBMUJFWSA-N 513.999 5.060 50 10 KKGE CC(C)(C)OC(=O)N1CCC([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OCCl)CC1 616575045 UXMSOXKHFDTICS-DEOSSOPVSA-N 529.033 5.280 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 724925846 WLNTVNMHTFTZNY-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237599 KURQQUYBLQYHLI-XUZZJYLKSA-N 537.003 6.282 50 10 KKGE O=C(CCl)N(c1cccc(C(F)(F)F)c1)[C@@H](C(=O)N1CCCC[C@@H]1c1ccccc1)c1cccs1 725240307 XRADZRBVVKUYBE-ZJSXRUAMSA-N 521.004 6.834 50 10 KKGE CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(N=C=O)C[C@H]4[C@]3(C)CC[C@]12C 888105659 PWHXPNFFQWDJKJ-CDKFMWKUSA-N 547.692 6.727 50 10 KKGE CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCC4=C2C(NCC2SCCCS2)=C[CH-][CH-]4)CC3)cc(C(C)(C)C)c1 953000672 LKNXSMAKNHFDEV-DPDRHGIRSA-N 776.193 12.001 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1083918938 RSRFYQMWXPACMZ-XMMPIXPASA-N 614.751 7.351 50 10 KKGE COc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1083956829 YCDISUUCPNJACX-UHFFFAOYSA-N 561.379 5.668 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1083983433 UJEHQDNHPPEVKN-RGVLZGJSSA-N 660.737 7.033 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084216078 KTKXHPYMVWWYIV-IBGZPJMESA-N 690.995 6.446 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084239604 IMQLJSTVYMUELP-KGENOOAVSA-N 599.298 6.185 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084289421 OYUXIAGTIUJWHK-UHFFFAOYSA-N 585.505 6.569 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(C)cc3)cc2Br)cc1 1084333018 XZYZSZKTWIBQFN-SANMLTNESA-N 569.496 6.098 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)N[C@@H](C)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084356903 UNPAKZXTHKHKSR-NRFANRHFSA-N 627.550 5.613 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 1084409281 RGXMSPVVIABMGP-VGOFMYFVSA-N 501.151 5.172 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl 1084443074 RLJBTWPVJQQAQO-MKMNVTDBSA-N 531.177 5.181 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Br)cc1 1084532390 VZRLXIHFAAKFDT-XQNSMLJCSA-N 672.361 6.287 50 10 KKGE O=C(CSCc1ccccc1Cl)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084574344 QGQSVJCWBPFKEM-UHFFFAOYSA-N 502.423 5.394 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)c1 1772743889 MUADRIWVIWLTII-UHFFFAOYSA-N 523.427 6.472 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746439 FNOFANIBQVDRAJ-UHFFFAOYSA-N 521.433 5.953 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@H]2CCCCO2)C[C@@H]1C[C@H]3O 1848440644 QENLZIAWWAHCNU-ZPJAIJBSSA-N 590.962 8.493 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691423 RLRCBFPIJHUOSE-SANMLTNESA-N 507.034 6.079 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703364 UUDUAVSUCUTAGB-AREMUKBSSA-N 561.469 7.073 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704994 JWLVZBYZRKSKLX-HKBQPEDESA-N 556.666 7.092 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707454 XGFZOSSZQDGRRU-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711254 UDJKCXFZVLOJJA-HSZRJFAPSA-N 554.931 6.636 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711853 JGEGIIJNSGFTAS-XMMPIXPASA-N 516.960 5.626 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c2ccccc2)cc1 1866568700 QEWQWPGSMRAFQP-HHHXNRCGSA-N 566.733 7.150 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)Cc1ccncc1 1867087464 MEYBBTLUEUPYTG-AREMUKBSSA-N 545.665 5.278 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868207550 NIKVZYVGVXHDTA-IBVKSMDESA-N 511.626 6.490 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)c(Br)c1 1872817948 FBGFAEKASWZYFO-FXBPSFAMSA-N 505.384 7.065 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OC)c(OCc2cccc(Cl)c2)c1 1873793337 JYRVOJAUDPNRCM-XCCYOMQZSA-N 504.027 5.317 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)[C@@H]1C 1924591536 SBIMOEMDCKHQCF-XLKNOJSPSA-N 525.926 6.531 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@H]2C[C@H]23)c1Br 1924614578 PLUFDBJZSANFJX-OKPYYQQTSA-N 521.894 5.895 50 10 KKGE CC12CC([C@H](Br)c3c(Br)sc(Br)c3Br)(CCO1)C2 2046403661 PPCICNGMDWXPMP-HUUUCTMMSA-N 523.910 6.431 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C\[C@H](OCc1ccccc1)[C@@H](F)[C@H](OS(C)(=O)=O)[C@H](COCc1ccccc1)OCc1ccccc1 2065316151 CMHRNCKCIHDRBI-VIAHNTRSSA-N 659.893 7.065 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1Br 2072061428 QJAPXOJDQQYTAG-NSHDSACASA-N 519.878 6.529 50 10 KKGE Cl[C@@H](c1cscc1OCc1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2085496456 WSRTXCZIUZGKJC-SFHVURJKSA-N 630.421 8.705 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2137654529 ISJUGKPEVOTCHB-CYBMUJFWSA-N 532.295 7.420 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2141468281 IRZOTJDAUXJDCP-GOSISDBHSA-N 668.843 8.800 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]2CC[C@H]1O2 2141468809 NVXCNKPVNWZNMG-YGDJMMPJSA-N 538.299 6.584 50 10 KKGE O=C(c1cc(Br)ccc1I)N(CCBr)Cc1cccs1 2171090391 IJJUNRDVSKSCAL-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE COc1c(Br)cc([C@@H](Br)c2csc(I)c2)c(OC)c1C 2295432603 JRPCJNGIFMRQHE-LBPRGKRZSA-N 532.035 5.925 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OC)cc1 2295879983 FREVVFOLKJSJHF-UHFFFAOYSA-N 511.397 5.909 50 10 KKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1scc(Br)c1Br 2299505046 SONNWPUFBJBSCM-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2sc(Cl)cc2I)c1 2301082061 VXOKEGUBPHSCQV-NSHDSACASA-N 508.977 6.247 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)c1 2313561189 YMSLBMCPYFYEDJ-UHFFFAOYSA-N 679.252 6.546 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2s1 2314414481 ADEDPBSAIWLWDX-UHFFFAOYSA-N 528.612 7.931 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593599 PVDRORIKBQSNQA-DEOSSOPVSA-N 538.456 5.745 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c1 2314618620 QMAZJXALGGKLFJ-UHFFFAOYSA-N 538.648 5.735 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 2314646868 SGNGQIWQHVJIPF-JGCGQSQUSA-N 714.775 6.183 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 2314777463 GHSPWLVXMWWHLW-UHFFFAOYSA-N 525.026 5.693 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)C(=Cc3ccccc3)c3ccccc3)n2)cc1Cl 2331378560 APNNSHIBXCHATN-UHFFFAOYSA-N 501.007 7.514 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 2331445585 NXXFJCXCNHRBNL-UHFFFAOYSA-N 511.485 7.831 50 10 KKGE CC[C@@](C)(C(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2336594373 BCOVLLMZZFNLQN-CMPLNLGQSA-N 548.285 7.698 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1cc(Br)cc(I)c1 2338886976 KQJXLVLYZCCXQB-MELADBBJSA-N 504.000 5.010 50 10 KKGE Cc1nn(C)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362226536 ZVQXOAMLCSSISF-JTQLQIEISA-N 509.826 6.137 50 10 KKGE COc1cc(CBr)cc(Oc2c(I)cc(Cl)cc2I)n1 2364729382 TYFBVTDJDBXAPU-UHFFFAOYSA-N 580.385 5.640 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)c1 2326363 ZYWGZBZDDRSFHH-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br 14041283 IJXGWOIQFFBFBZ-UHFFFAOYSA-N 516.436 5.222 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38660108 PXFBWHVIAJUPCN-AREMUKBSSA-N 515.522 5.220 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38688567 PPJFQVRVTYHESK-XMMPIXPASA-N 514.990 6.557 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1OC 40927093 OWAYQGOARUQQTI-KGENOOAVSA-N 510.059 7.285 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 58894884 CUQNHZYCFAURIA-APTYXWLQSA-N 529.008 5.819 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100173450 SINKUFBCTHEQCK-UHFFFAOYSA-N 584.536 5.937 50 10 KKGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(Cl)cc1Cl 100207310 QXJJTVYLIJEUFH-UHFFFAOYSA-N 567.292 5.327 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101333102 YXGDSJAEZRLOFM-RHKYMZEHSA-N 506.606 5.564 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101334909 JJKXZEFDDPZFPB-WPWMEQJKSA-N 500.558 5.340 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(Br)cc1 101363680 IWFJFEWTOJBWNG-OAQYLSRUSA-N 526.184 5.649 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 101368677 WEKAXXYUJKLSAE-MUUNZHRXSA-N 544.604 5.212 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 101376051 TWKNOFGBGUBHAI-AREMUKBSSA-N 533.422 6.311 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1 101377649 SSKLXJYRUSAKMX-NDEPHWFRSA-N 517.025 7.127 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380538 VAVTZIUQEPYKIN-KATKFWMUSA-N 578.640 7.119 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385430 AHFJAAGDOYZKAY-UMSFTDKQSA-N 590.676 7.199 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1 101712584 BEOKPPRQZHRXPC-WSDLNYQXSA-N 574.431 5.482 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCCc1ccccc1 101712970 ORCSVNXJMYENEI-UZWMFBFFSA-N 559.460 6.275 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C(C)(C)C)cc1 101758256 PCBHETQQFCBHMB-OCSSWDANSA-N 546.718 6.333 50 10 KKGE Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C(C#N)=C\c4cc(C)n(CCC(C)C)c4C)cc3)sc2c1 103071062 YWMOIJIVXMOQRS-XYGWBWBKSA-N 540.689 6.825 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 103700471 QKEHGRWMJNXGMB-OKCVXOCRSA-N 530.719 6.159 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(CC(=O)NCCC)c3ccccc32)cc1 103734015 GXLBIIHWMDHQEQ-VEWQFJOQSA-N 520.674 5.213 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F 103877757 MQYLLFBFYXCENJ-KVSWJAHQSA-N 576.216 6.448 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 105660353 LYQVMCMHFABWOM-PCLIKHOPSA-N 500.646 6.186 50 10 KKGE O=C(O)c1ccc(Oc2ccc(Oc3ccc4c(c3)C(=O)N(c3cccc(Oc5ccc6c(c5)C(=O)OC6=O)c3)C4=O)cc2)cc1 105684980 BULGVAVSSVVSEP-UHFFFAOYSA-N 613.534 6.873 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150480785 UNBLOCRTHZKVQZ-NRFANRHFSA-N 642.750 8.335 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(OC)cc2)c1 198742297 ZINRIYZJCPZBSM-GZZLJNBRSA-N 537.701 6.182 50 10 KKGE CC(C)(C)OO[Si]1(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O[Si](OOC(C)(C)C)(OOC(C)(C)C)O1 205562915 DMPZDDZKJAGVRW-UHFFFAOYSA-N 889.252 7.782 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 205662093 GTBLSTXKOQVHTH-SONAIEKUSA-N 544.607 6.420 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 205669968 ONDHWNSJUNMDQR-SQMNPIEXSA-N 588.660 6.818 50 10 KKGE COCc1cc(C)nc(OCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)c1C#N 252616971 KJTKTRBQFJATOQ-UHFFFAOYSA-N 569.665 6.370 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254292956 VIXBUYRCIOBLBD-UHFFFAOYSA-N 537.701 6.182 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(SCc4ccccc4)s3)ccc21 254557671 NARGIOFWVXIBOU-UHFFFAOYSA-N 517.705 6.201 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@H](O)/C1=C/Nc1cccc(N/C=C2\C(C)=C(C#N)c3nc4ccccc4n3[C@@H]2O)c1 254703203 QKPXRAGTEDXSSD-ZNZGEHMOSA-N 578.636 5.981 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2ccccc12 254881156 GIJWNDXNPJBJMR-UHFFFAOYSA-N 589.733 6.563 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 256018174 AAKKHAXJXUWMMF-XKAZDTCBSA-N 570.447 7.489 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@H]2Br 256019952 NVZRELAZJSDKMQ-KOYFVTJOSA-N 706.541 7.576 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Cl)c(Br)c2)C1 394650052 XEQGOGOOFASEKV-VXGBXAGGSA-N 500.602 5.488 50 10 KKGE Oc1nc2ccc([C@@H](Br)c3ccc(I)c(Br)c3)cc2o1 721573971 UVWOBQGAYKFXHY-ZDUSSCGKSA-N 508.935 5.385 50 10 KKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)c1ccccc1NC(=O)c1ccco1)c1ccccc1 1083987680 XNCHZYDRRFBBOR-UHFFFAOYSA-N 532.350 5.278 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084132675 RMPJUIDNUFDCOM-UHFFFAOYSA-N 662.437 6.547 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084257401 KRFVPTZQYCVOCT-UHFFFAOYSA-N 608.116 5.672 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)cc2)S(C)(=O)=O)cc1C 1084267556 SPAHQQRIBOZBGM-UHFFFAOYSA-N 541.673 5.613 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 1084375868 ZXUCEBMJHIQTQB-UHFFFAOYSA-N 541.692 6.766 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 1084406860 NENZATAKAGQNBE-UHFFFAOYSA-N 658.416 5.960 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084476550 LLPVEZASMACUJQ-KGENOOAVSA-N 626.305 5.955 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084540245 TYIDFIQSMCUTDD-LICLKQGHSA-N 591.245 7.187 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(C)cc(C)c2)cc1OC 1084549625 PMCMFLSKYDNKNW-UHFFFAOYSA-N 643.593 6.381 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1Cl 1084553172 HKTSOBJTPZWIAB-RGVLZGJSSA-N 572.830 6.695 50 10 KKGE Cc1ccc(Cn2cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)cc1 1084594183 ACZFXBDGKDBEGQ-UHFFFAOYSA-N 522.652 7.528 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653096 CVEMKBHPDGQINQ-HGRRPONHSA-N 530.093 6.767 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cc2)cc1OC 1772720577 RNXQADMMVANNMC-UHFFFAOYSA-N 610.464 6.665 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749984 TWXQZADTAXELLH-UHFFFAOYSA-N 554.352 6.402 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 1772760452 NRAAXWSXMPMHTB-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 1775963162 CBYATNWDDXHUQS-BYQDFAIGSA-N 781.541 9.191 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688392 QYWOCCSRIAIHBY-MUUNZHRXSA-N 524.596 5.481 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688712 YWNHNEUJMCIDLG-HSZRJFAPSA-N 501.384 5.577 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(OC)c1OC 1865691834 CFUJVRJESKPMAE-AREMUKBSSA-N 522.605 5.459 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccc(C)cc3)cc2)cc1 1865692496 GMNGWYFQZGXGGS-RUZDIDTESA-N 530.550 6.364 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1Cl 1865704003 KMEVRACJTZLXPK-MHZLTWQESA-N 565.432 6.492 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccccc3)on2)cc1 1866825934 RGVRAVGJWCLPFW-XMMPIXPASA-N 514.632 5.585 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866967138 ABLADSCTDIDFFF-SXOMAYOGSA-N 533.625 5.430 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434092 XRAZZDHECSLALP-AREMUKBSSA-N 543.071 6.672 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)[C@@H](c2ccccc2)c2ccccc21 1868455818 CTRBZVABZYWULO-YTTGMZPUSA-N 557.698 8.487 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OC 1872793729 PZRCUEDSEYPHIQ-CJLVFECKSA-N 506.668 7.639 50 10 KKGE CC(C)(SC[C@H]1C[C@@H]1Br)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1893196241 OBHMHTYKPMFPLW-OREJSRFESA-N 504.446 5.274 50 10 KKGE O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915171827 HLMSEYOPYMEZRR-KRWDZBQOSA-N 542.120 6.120 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066934 WUFQOGGJOLMYLF-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1950881616 HXBFXFHUDKZMCC-ZCFIWIBFSA-N 588.804 7.652 50 10 KKGE C[C@@H](CBr)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951706955 DIMVBFUVVYTXLH-ZETCQYMHSA-N 691.911 6.346 50 10 KKGE O=C(O)[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](CCCC[C@H]2CCSS2)C1 1952428014 VGOSUAQZFYZQCA-HKBOAZHASA-N 511.709 6.815 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1cccc(C(F)(F)F)c1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2042446543 GOPJQOVJFYPZAU-QLKFWGTOSA-N 598.613 7.963 50 10 KKGE C[C@@H](NCCSSCCNC(=O)OC(C)(C)C)c1ccc(Br)cc1Br 2061265329 ZJCBLUNJDUXSQY-GFCCVEGCSA-N 514.349 5.768 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2csc(Br)c2Br)c1Br 2083330232 MGSXSECBIXFVSX-JTQLQIEISA-N 582.775 7.591 50 10 KKGE COC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085493929 IZDNDWINQWTEKD-LLVKDONJSA-N 570.739 6.742 50 10 KKGE O=S1(=O)CC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498728 CMOIGKHGPXZOQA-QUBYGPBYSA-N 590.751 5.360 50 10 KKGE Cc1cc(C)c([C@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2150493898 NUTBCLPOVZDCMO-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cn1nc(COc2c(Br)cc(Cl)cc2CBr)c(Br)c1Cl 2153005869 VDKZEEIRCDIKCQ-UHFFFAOYSA-N 507.835 5.726 50 10 KKGE Cn1nc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1Cl 2167051333 UGYGITSBUSFLGI-YFKPBYRVSA-N 517.390 6.163 50 10 KKGE Fc1ccc(Br)c(CO[C@@H](CI)c2ccc(Br)cc2)c1 2206281265 ZEHUAKKIMHFULQ-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE C[C@H]1C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206396569 YLMKNTYUOLKTOK-WEKTVSAVSA-N 554.342 7.220 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCCCCC1 2206406398 ZCDYZADFBNQMKA-HNNXBMFYSA-N 552.370 8.377 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232511431 KFTRKRZYFUFLQJ-NSHDSACASA-N 573.252 7.637 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2Br)cc1I 2269544818 PJNMGXJIMCYTJC-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Clc1ccc(Br)cc1CO[C@H](CI)c1cccc(Br)c1 2295172777 BFQCUDDSCZOICG-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE COc1c(C)cc(C)cc1[C@H](Br)c1cc(I)ccc1Br 2295302607 ZOOYGIBSPKQFKZ-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccccc3)n2-c2ccc(OC)cc2)cc1 2296412343 GYVPSAGCDCRSSL-UHFFFAOYSA-N 513.623 5.249 50 10 KKGE Cc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2299511492 VQOPKEVKDGKBCX-GOSISDBHSA-N 531.107 7.645 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc2ccccc12 2313566831 BLHAPJXWFHVNHX-UHFFFAOYSA-N 552.074 6.727 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1 2313568069 OSFDOECRDGMNAV-UHFFFAOYSA-N 617.281 6.886 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591904 HIUVUUWHHWJYSU-XMMPIXPASA-N 538.456 6.375 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314617188 SIFYDEXBJMNNPD-UHFFFAOYSA-N 520.633 6.171 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314617850 BVECAKUHOIUIAX-XMMPIXPASA-N 574.656 7.211 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314619620 CMKOBJZFRDDDRH-UHFFFAOYSA-N 612.111 5.235 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 2314737498 PJQWNMLIXOVMGS-UHFFFAOYSA-N 567.436 5.556 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(I)c1 2317773278 BTZZFADQOKCICC-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccs2)cs1 2331327433 FQPJFWQUYXXNBB-UHFFFAOYSA-N 500.399 5.503 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2333277767 HAYVDHBKYABBBI-KOJDSISCSA-N 645.174 11.764 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1scc(Cl)c1Cl 2339654034 OSXWCZBYGOQEFU-SECBINFHSA-N 511.863 7.512 50 10 KKGE COC1(C(F)F)CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2343013761 INIPXHJEXDQYKL-CTPQFPNMSA-N 547.879 6.532 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360482160 UQCPNNXEQGTGPN-NSHDSACASA-N 556.797 7.123 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Cl)ccc1I 2360495061 YJPACUMBSUMGFF-LBPRGKRZSA-N 528.801 7.481 50 10 KKGE Clc1ccc(C[C@H](CBr)Cc2ccc(Br)cc2)cc1I 2362381588 XSQCKNYTBNLUOI-CYBMUJFWSA-N 528.453 6.503 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 33568798 PRUQUMSQLZLCHK-RBPAETEQSA-N 508.650 8.230 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 38605578 HMXXBLBJGNKZCG-ZVHZXABRSA-N 529.040 6.230 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38684313 CESOVVOTPXTHDA-NDEPHWFRSA-N 516.569 6.231 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38684796 NPRQYJKVIWJOGZ-AREMUKBSSA-N 523.416 7.000 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 38700409 VFXZYBNKFBYQRO-SWFUTCNKSA-N 532.681 6.994 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1C 40924463 OPGGPCLDGCSVQP-RWPZCVJISA-N 503.649 5.949 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 40959242 BDSGGAHZRNFAJB-ZTKZIYFRSA-N 517.508 7.015 50 10 KKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 48572124 CXCGGLAOZUKJCI-JFLMPSFJSA-N 501.808 6.234 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914982 SJYLDCRVDFQSBJ-MHZLTWQESA-N 519.057 5.771 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206101 JGZURLAMDBZMAX-UHFFFAOYSA-N 598.291 5.826 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 100236163 RNECQKBNBJACFT-ABZYITTCSA-N 555.425 5.089 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(I)c2)cc1 100237744 VJYAOXIVQAUYGK-WGNDPNKDSA-N 576.406 5.372 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 101286675 WZHAUVGRERZWNM-UXHLAJHPSA-N 558.613 6.344 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101293449 PHFLIYSWIQHZAY-MGBGTMOVSA-N 609.078 7.320 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C2=O)cc1OC 101339141 KIXGYZZJQFHEOZ-ZXVVBBHZSA-N 544.611 5.391 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2=O)cc1OC 101339171 QXBZQNDHOORMPO-OVVQPSECSA-N 579.056 6.045 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCCC(C)C 101368370 RNAXJQSEVHMAQP-WJOKGBTCSA-N 534.612 6.711 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OCC 101370575 TVNIGEUOUOKUJU-HHHXNRCGSA-N 555.414 5.993 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OCC 101374553 YTLMDUCEJMIUOB-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 101377641 KAPXNWLDUMFXMO-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(F)cc1 101387285 LJXSYAURFZHLGQ-MGBGTMOVSA-N 580.612 6.233 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OCC)c1 101762392 KHGWDUWPJDNTTJ-KGENOOAVSA-N 544.442 6.206 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(=O)OCC)c1C 102924615 SOOVAKZQVVHWCV-QGOAFFKASA-N 507.637 6.293 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)Nc2ccccc2)c1C 102924915 LUNVSRCRFPWNOF-RCCKNPSSSA-N 542.686 7.202 50 10 KKGE Cc1ccc(NC(=O)CN2C(=O)/C(=N/NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c3ccccc32)cc1 103732161 LLYUXQJFUFBQKD-BQNXFWFHSA-N 560.654 5.206 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789487 IHWVBMOETQOZLO-CJLVFECKSA-N 547.409 5.192 50 10 KKGE Clc1ccccc1C(CBr)(CBr)Cc1ccc(I)cc1 118877852 UVYXDJUZYJKFCG-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400668 DJHHYVULPZJTHK-QFSJPRKCSA-N 881.962 8.935 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)cc1 150411058 AOFMLYBWJOMRHU-PNVIYYTESA-N 746.845 7.197 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461545 IMUBCHWIWSEHNV-YTTGMZPUSA-N 641.507 8.381 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462716 OJBZRVBJUUDBDR-XMMPIXPASA-N 663.382 7.470 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463058 IGJILVKKZIRYGV-WJOKGBTCSA-N 641.463 7.125 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c(OC)c1 150489202 LLYHKHWEYWTTPD-LJQANCHMSA-N 630.695 7.173 50 10 KKGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C(=O)NCCSSCCC(=O)O)c(F)c1F 195813654 FJKANRXSLHOXFW-GTJGBCSESA-N 979.159 5.621 50 10 KKGE in-vitro COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 205651000 LNCYIBJQPVPNFU-HOTMZJGBSA-N 540.616 5.966 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)[C@H](OC(=S)Oc3ccccc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 206559240 QUXFYGIIXJYECI-JGBXXWGASA-N 776.077 8.261 50 10 KKGE in-vitro CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214387136 QRFRJZCHSAJPHM-MZFJOGFUSA-N 620.665 6.639 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]12 218947245 YWYUPQAVHUSVGI-DODWDDCBSA-N 546.868 9.109 50 10 KKGE CCCC[C@@H](CC)CO[Si](CCCNCCN)(OC[C@H](CC)CCCC)OC[C@H](CC)CCCC 248252096 JJJXKZYKNMHSMY-MPFGFTFXSA-N 516.928 7.563 50 10 KKGE CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1cccc(NC(=O)c2ccc(C)o2)c1 252624759 PUOJYXFRKDBCBJ-UHFFFAOYSA-N 516.601 6.826 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccc2ccccc12 254295575 BVAXYPXYOKUVMA-UHFFFAOYSA-N 538.698 6.112 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2C2CCCCC2)cc1 254305307 FXPWKYZKHHCFHQ-LWGHUWBISA-N 504.616 5.574 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254699546 XVCBBBKOFCQTKV-UHFFFAOYSA-N 542.764 9.299 50 10 KKGE O=C(N=C(C=C1C=CC(=[N+]([O-])O)C=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 585660820 KKHLNQRUQGUQLU-UHFFFAOYSA-N 529.556 5.612 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586737 HODUUTHQNQITGS-DHUFUDIASA-N 779.062 9.261 50 10 KKGE Brc1cc([C@@H](Br)c2ccc3c(c2)CCCO3)ccc1I 721570879 BVYMAAZAWUKYLI-INIZCTEOSA-N 507.991 5.863 50 10 KKGE COc1cccc2c1CC[C@@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237963 OJQZPXQTPPDTPK-HOYKHHGWSA-N 537.003 5.762 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 1083805642 GPLFLRPEMRRWIR-NAGVQBNSSA-N 898.131 9.843 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 1083852562 WNLFFBYKQJFHNZ-UHFFFAOYSA-N 539.429 7.420 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 1083906045 BLBUWFRKLJOCCF-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 1083931671 NMDGPEJNZUEQJT-UHFFFAOYSA-N 592.671 6.963 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1083987588 FIPBZAAUKFDJHJ-SFHVURJKSA-N 569.062 5.672 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084131852 PAVYMSIPJBEIQA-QFIPXVFZSA-N 613.279 6.150 50 10 KKGE CC(=NNC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NNC(=O)c5cccc(Cl)c5)CC[C@]4(C)[C@@H]3C[C@@H](C)[C@@H]12 1084248795 HHBZLPGKWFBREO-QQZUKFPBSA-N 619.637 8.320 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc(F)c1 1084377173 GPTKIBSYUHTAPC-UHFFFAOYSA-N 547.615 6.659 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 1084600520 LVQJUQFUXZXSIJ-UHFFFAOYSA-N 501.590 6.075 50 10 KKGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084636979 VFFHBXRSXPOTED-UHFFFAOYSA-N 579.053 5.467 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@H](OC(=O)C[C@H](C)CC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536473 VKBCMZKYIQGGGT-DMWNVSHZSA-N 644.617 10.635 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694721 RBMVRWCQLYHGIC-RHSMWYFYSA-N 521.171 6.215 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745252 VDSFDNYBGWYMDI-UHFFFAOYSA-N 524.533 6.011 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682368 MZARHGUUAMZHNH-HSZRJFAPSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683259 BQLOADISTZMSIL-QFIPXVFZSA-N 568.258 6.835 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865693534 WSZCIAVHPKJHCJ-VWLOTQADSA-N 559.464 6.366 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OC 1865694752 AUWGWTGOEFQZQI-RUZDIDTESA-N 528.996 5.827 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(Br)c1OC(C)C 1865696797 KQFVGNFZVJRVCK-QFIPXVFZSA-N 527.394 5.155 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700728 CBKBOBSZPDSVNU-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702263 QZEZSYVQOXMAMK-HXUWFJFHSA-N 519.777 5.796 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704893 HDWYDODETROWNV-SANMLTNESA-N 527.024 6.266 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707347 UYXMYVUMNWBOIH-QFIPXVFZSA-N 535.387 5.787 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865711160 RAGJIRWENBBUTI-INIZCTEOSA-N 533.259 6.494 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866753029 SLNQTSVVXYVOBM-IZLXSDGUSA-N 547.652 5.820 50 10 KKGE CCC[C@@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1866931917 USWQCUMHHIVTST-HHHXNRCGSA-N 524.646 6.037 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867003203 CBZOFKUMHIKWDP-IZLXSDGUSA-N 531.653 6.047 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@@H]3c3cn(C)c4ccccc34)n2)c1 1868506173 SHQGTIBXQIRPJI-LJAQVGFWSA-N 561.671 5.638 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1C 1872746607 PPZNXQHTQFDYKZ-XFAQLUQMSA-N 521.598 5.827 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OCC)c1OCC 1872748807 OOEQJMUHGLLKBB-JWGURIENSA-N 505.423 7.263 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)c(Br)c1 1872752732 PUTUEYIAUOQSBM-FXBPSFAMSA-N 517.420 6.935 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 1872754935 QKFUMNOAQYZMIB-MBDQKHHZSA-N 519.648 5.646 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1c(Br)cccc1Br 1901795624 TWDAQUQPEGQEDD-MRXNPFEDSA-N 516.068 5.407 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915298374 SGFGAIDSPKJBIL-GOSISDBHSA-N 520.636 6.007 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 1923067161 ZEDAHDHMUJRLOI-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE CC(C)(C)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782535 NLKPTDKAJMJDAD-MRVPVSSYSA-N 512.305 7.453 50 10 KKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)N(c2c(CBr)ccc(Br)c2Cl)C1 2098116087 GHOZJYRLFZTEMI-JKSUJKDBSA-N 500.706 6.344 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)c(F)c1Cl 2201616834 WXAIPJOWWYNKOA-LLVKDONJSA-N 554.248 7.390 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395276 NHDZIDWFMGZLLU-CPFXQGKDSA-N 608.710 7.761 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2213747426 XSYXRHSOFPRYTI-MRVPVSSYSA-N 544.353 7.496 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2C)cc1I 2224625348 DRSRAYNIYGLIQU-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(I)sn1 2269597066 AKKQZEKJDZNMDJ-ZDUSSCGKSA-N 517.024 5.620 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1 2278103481 VEQZUIORIMWLGN-CYBMUJFWSA-N 545.941 7.735 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 2294511023 VCIIBHMCLVVJIY-UHFFFAOYSA-N 520.916 5.981 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2296506986 OFIALDMDUKNJGY-RUZDIDTESA-N 546.048 5.890 50 10 KKGE COC(=O)c1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 2297624615 NIAYYFJFJCOFBM-UHFFFAOYSA-N 536.338 5.269 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1scc(Br)c1Br 2299505045 SONNWPUFBJBSCM-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cccc(Br)c2Br)s1 2300953090 FLLAFGQKXMQGLR-JTQLQIEISA-N 571.297 7.015 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570795 GMRVIUKCLSYFPC-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1 2314478018 FIWYWKYJNBFNPI-UHFFFAOYSA-N 510.622 7.792 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314500592 PEYHICKDMKOFEY-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@@H](C)C2 2314571986 PZYAQWSGYCGJQF-MRXNPFEDSA-N 546.048 7.057 50 10 KKGE CC12CC(C1)[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927227 FKUWVCQLZKQWIE-XRBXBCIPSA-N 523.910 6.287 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCCC[C@@H]1I 2319215415 YNMBQOSRPTWZJA-KBPBESRZSA-N 535.001 5.707 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083547 KUAUGCJKQDLTEP-IBGZPJMESA-N 559.523 8.123 50 10 KKGE Brc1ccc([C@H](CI)OCc2c(Br)cccc2Br)cc1 2366145141 NXEVKYRGLIAGIG-HNNXBMFYSA-N 574.876 6.667 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3086980 STIJPVJQQJOMCM-UVHMKAGCSA-N 576.787 5.158 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1 38649706 NPFQFHPCRINICF-DEOSSOPVSA-N 503.396 6.184 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 40841266 VREIJCBCLFSHIZ-HAVVHWLPSA-N 517.025 7.084 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)=C2N2CCOCC2)cc1 97984612 LPUVZZZJMYEFTJ-SFDFQISYSA-N 564.702 6.700 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3NC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 100210903 ZKMCFBXOFWVJMV-OKCVXOCRSA-N 560.950 5.701 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]2Br 100921875 GLINZRHBGBMBIC-RLCCDNCMSA-N 548.928 6.618 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 101243531 FLSVDXHRVUEYES-GIRXHADGSA-N 539.701 6.341 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101307541 CDGNGERLNPGMPF-NDEPHWFRSA-N 536.584 6.369 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101337697 UPUXVCSIDYUZEA-NTESWFFVSA-N 608.673 7.611 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 101384401 IBWFDPFYRUCICL-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387026 OFHFCGSRQCVFRJ-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101390695 HKBBGKYGVWTLGL-VWLOTQADSA-N 531.033 7.089 50 10 KKGE CCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 101727116 ZVEJYRLWUISGCK-DHRITJCHSA-N 534.501 6.003 50 10 KKGE COc1cccc(N2C(c3ccc(C)cc3)=C(c3ccc(C)cc3)S/C2=C(\C#N)c2nc3ccccc3s2)c1 102924514 OVQPOXNIXASWID-MUGXBBEHSA-N 543.717 8.893 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccccc1 103755213 MLZCGXIMMBNMES-FYJGNVAPSA-N 538.385 6.123 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 103796115 ZUZWYJNQZUCAQP-ODNPBWNPSA-N 594.067 7.186 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1cccn1-c1ccc(Cl)cc1 103870173 QFPQRZQTPANZEV-KKMKTNMSSA-N 562.649 5.733 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 103878715 YSNRMKKGFNGRPF-ALQBTCKLSA-N 551.046 6.976 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883290 XIDCSTWFTGLRBL-LGUFXXKBSA-N 599.472 6.279 50 10 KKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1I 103887559 TTYAGWOFOPSLAH-DHDCSXOGSA-N 523.168 5.473 50 10 KKGE Cc1nc2ccccc2n1CC(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccc(Br)cc21 105020639 SPLRTLFPQNZKIR-MDVFONAFSA-N 552.432 5.328 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 105067248 LICSQMCWSAEQOM-BIZUNTBRSA-N 586.073 5.766 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)c(Br)s1 125677582 VFXNGOHPXVELKK-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 150417842 VFUQHYCZPWLCSN-UHFFFAOYSA-N 677.187 6.589 50 10 KKGE CCCCCCCCCCCC[Si](C)(O[Si](C)(CCCCCCCCCCCC)c1ccccc1)c1ccccc1 207386655 PBFZZPGAPFSDTL-UHFFFAOYSA-N 595.117 11.810 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214365884 WZTQGBOZCCINRD-NVYRNGPJSA-N 623.779 5.885 50 10 KKGE Clc1cc([C@H](Br)c2cc(Cl)c(Br)s2)ccc1I 232344708 VDXZNMNBWZWQDM-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)s1 235821691 ADAVIQWZXKYUJX-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1Cl 236062348 OKDJCDAXPCCGPL-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)cc1F 236224505 BDGGULORDFEMLX-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc4ccccc34)n2-c2ccccc2)cc1 254517517 BDTULEQCBYKJEI-UHFFFAOYSA-N 507.619 5.729 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254517775 TUOJVIAPMBXJLT-UHFFFAOYSA-N 523.674 5.710 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)c2ccc(C)cc2)cc1 254748613 ASAAFRWZXHUSIM-UHFFFAOYSA-N 529.687 5.314 50 10 KKGE Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@@H](I)[C@]1(O)C(=O)O 255966325 CBVZKAGLPGRMNW-LQNXUBFPSA-N 709.105 5.774 50 10 KKGE in-vitro O=C1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)c(Br)cc2N1 312266418 MXTPWXWJGOWMGD-GFCCVEGCSA-N 544.888 6.015 50 10 KKGE Clc1ccc(I)c(CC(CBr)(CBr)c2ccccc2)c1 405295853 KRUXCQLERTZMHB-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)s1 688142905 FCXJIWTXHSHURN-LBPRGKRZSA-N 533.905 6.666 50 10 KKGE COC(=O)C12CC3C[C@@H](C1)C(NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)[C@@H](C3)C2 725237820 NKENXLRVBKCJRK-CXQIBOMQSA-N 569.045 5.564 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 725408241 YBDUQTJZJYLATB-UHFFFAOYSA-N 607.574 6.326 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 725415746 SIQMACDFLVTPJN-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 725441207 KBUODVWHRZPPRJ-XMMPIXPASA-N 655.302 6.134 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)N1CCN(c2ccccc2)CC1 1084022884 OZRLIEKJXGFFIF-CJLVFECKSA-N 628.308 5.888 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 1084027828 NIVSPWZQWMSKEA-RQZCQDPDSA-N 542.773 6.144 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1084045718 QCHGDHJBFZEWNM-OAQYLSRUSA-N 652.562 5.891 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 1084180755 GKJSRHAATQTOMZ-MGBGTMOVSA-N 578.112 7.827 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084225832 ATGVPSVOXGQTKQ-UHFFFAOYSA-N 681.962 7.183 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)c2C)sc2c1CCCC2 1084305956 RQWXHUORBQWZBQ-HSZRJFAPSA-N 507.656 5.175 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1ccccc1Br 1084437729 DEHOAVVWQBLAAJ-UHFFFAOYSA-N 695.520 6.655 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(I)c2)cc1 1084445547 YNKFWTADBCRZCJ-XMMPIXPASA-N 576.406 5.372 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 1084533063 VMZKYWQSVJOJAG-UHFFFAOYSA-N 508.361 5.921 50 10 KKGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718601 JNVFBVHUOARHPP-GOSISDBHSA-N 620.740 5.334 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1OC 1772752547 BJJCGFUXDVMFCP-UHFFFAOYSA-N 528.241 5.318 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1Cl 1772755148 PVOPWXKHNFVYCJ-UHFFFAOYSA-N 602.963 7.056 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1c(Cl)ccc(Cl)c1Cl 1772760456 NZUUQABNJGWCJK-UHFFFAOYSA-N 549.867 6.353 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682003 CWIZLXDXCQHOFX-MHZLTWQESA-N 519.004 6.632 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684193 NAEXKNFMWGKZDT-LJQANCHMSA-N 504.215 6.112 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687786 AKCMNYYCHPEEOD-MUUNZHRXSA-N 567.020 6.779 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865691446 SCCUCLSTUKJTII-FQEVSTJZSA-N 518.923 5.950 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865693778 YTWBBQMIRWPWOL-FQEVSTJZSA-N 577.401 6.368 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694316 WNFSZAJDZJNFRF-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697456 SXNVXWNSVFIAJW-JOCHJYFZSA-N 541.421 5.411 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700696 BJAMECRFNWFPMD-RUZDIDTESA-N 503.389 6.285 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701329 SJTHQONXQWNCCS-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865704103 NHRDNGCHYZLZGQ-LJQANCHMSA-N 539.341 6.034 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705098 MEYZSPWIZMHGFW-AREMUKBSSA-N 510.569 5.751 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707586 AFYKULJUEDCFDB-MUUNZHRXSA-N 530.584 5.936 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865712976 NLYDFOUUYOLCON-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE CSCC[C@@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034275 MSHNQTPOSMPPEJ-LEWJYISDSA-N 574.526 5.112 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434093 XRAZZDHECSLALP-SANMLTNESA-N 543.071 6.672 50 10 KKGE Cc1ccc(C)c2c1C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868434266 ZNXHCYGNTZIIML-GOSISDBHSA-N 512.082 8.061 50 10 KKGE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544394 DCYVJWXBEOONRC-NDEPHWFRSA-N 523.710 7.241 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872755858 JWPNLNAJDZSMKK-RITGCEONSA-N 513.663 6.920 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc(F)cc2F)cs1 1872817918 DALSXPKQRBVGSB-LVWGJNHUSA-N 513.525 5.877 50 10 KKGE Fc1ccc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924589208 AJJTXSCZNFFVBP-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE CCOC1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615865 HMPMHDSYJWBFNZ-QIECLKSESA-N 511.899 6.287 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)cccc2Br)sc1Br 1945323007 PDKCJFSPHIKXBC-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1nn(C)c([C@H](Br)c2cc(Br)c(Br)s2)c1Br 2017383915 HPSJNBZSLIJXOY-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE Cc1sc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2026221144 JMTZDUPECWNLBM-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012776 RPSDMMBNHUZTKP-WWOSETIMSA-N 602.536 9.320 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(I)sn2)c(C)c1Br 2056487592 MUUYAJSXKDMJBG-CYBMUJFWSA-N 501.025 5.920 50 10 KKGE COc1cc([C@H](N[S@@](=O)C(C)(C)C)c2cccc3ccccc23)c(P(c2ccccc2)c2ccccc2)cc1OC 2080746411 GDVFMOUEWXCVPL-HQIVZWIISA-N 581.718 6.756 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(I)cc2)c1Br 2083317198 DIBCZQPRWMUEEW-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2C[C@H]3C[C@@H]3C2)c1Br 2085496976 YWILNRBTTVDUDU-WHHMAUIRSA-N 566.751 7.219 50 10 KKGE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)CN1c1c(CBr)ccc(Br)c1Cl 2098116080 GHOZJYRLFZTEMI-CVEARBPZSA-N 500.706 6.344 50 10 KKGE FC(F)(F)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469764 WVEMMYWZWDZSCW-SECBINFHSA-N 550.232 7.359 50 10 KKGE C[C@]12C[C@]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141475536 ONTNMYNKAZJTAC-AVGNSLFASA-N 582.750 6.742 50 10 KKGE CN(Cc1sccc1Br)S(=O)(=O)c1cc(CBr)sc1Br 2179790667 HNRRHVJYWPJNKF-UHFFFAOYSA-N 524.119 5.050 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2224307045 JZSISLKXPBVNPA-QMMMGPOBSA-N 559.254 6.232 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 2225615743 LAXLNBZEXFARRO-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE Cc1cc(C)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2225933014 WXKLCPWIRMUHPO-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2237440408 RNPPVMXXRUDNCX-ZDUSSCGKSA-N 501.871 7.506 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(I)cc2c1OCC2 2282895151 UTTYTXURIGFECW-CQSZACIVSA-N 558.954 5.454 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293744126 DAPCBHJHLFBTCO-UHFFFAOYSA-N 539.705 6.538 50 10 KKGE COc1cc(C=C(C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1 2294284539 BDALJGCZDWKTET-UHFFFAOYSA-N 508.328 5.448 50 10 KKGE CNC(=O)c1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)sc2c1CCCC2 2297497745 BKKBSKLFNWVJBO-UHFFFAOYSA-N 521.646 5.693 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571031 LUHWECDCXMLEKZ-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314449729 SHQOKPDWTAYTHK-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2314532931 OAUYZDLQDIDZJC-UHFFFAOYSA-N 557.448 6.401 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593144 IFCYFNCDHRPOER-CCLHPLFOSA-N 513.638 6.253 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593545 OUXVIUVNUGKLTE-VWLOTQADSA-N 536.484 6.298 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314616870 LNYWNFQRPSQSOG-UHFFFAOYSA-N 556.666 6.675 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314618654 RBQHTISZNITYNU-NRFANRHFSA-N 502.549 6.032 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C3C(=O)N([C@H]4CCS(=O)(=O)C4)C(=O)C(C#N)=C3c3ccccc3)oc12 2314646707 KGMDNFHSJBQIMU-SANMLTNESA-N 630.682 5.211 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646997 YNGHWILXGVZJSA-MUUNZHRXSA-N 634.783 5.958 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281205 SUTNBNTYYCKEMH-UHFFFAOYSA-N 515.978 7.457 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(F)cccc1I 2365228486 PWQQEVKKNILJPD-GFCCVEGCSA-N 580.830 6.887 50 10 KKGE CCOc1ccc(N/C(SCc2ccc(C)cc2C)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058830 OGMZPSOYTZGPDB-XLVZBRSZSA-N 515.635 5.828 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 14029210 OAKGNJCXROTLOQ-UHFFFAOYSA-N 505.640 5.174 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)sc2c1CCCC2 33409448 LPHWORMMADMCAE-MOSHPQCFSA-N 522.070 6.719 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCCC(C)C 38660346 BDTBPVANJIAYLA-MHZLTWQESA-N 518.997 6.211 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678691 KRAYYHPHCWXODG-XMMPIXPASA-N 505.368 5.269 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683484 DEHNWALPZPIQCW-MHZLTWQESA-N 512.562 5.480 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)c1 38684695 MIVHWCSBLKCRPE-SSEXGKCCSA-N 512.606 5.931 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38685071 OSWXYQSFHUAZFI-VWLOTQADSA-N 519.395 6.065 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OC 40853316 HQKIVHYSTOZFBO-NLAJEHQSSA-N 507.583 5.752 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 58891756 GVWPENUFQUKVFC-MAGAZJOKSA-N 507.428 5.721 50 10 KKGE COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 59304810 RPUFWQSIZYNQSC-UZWMFBFFSA-N 503.558 6.263 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 100121994 APCZDZQEIYBEMC-TVGVDIJASA-N 550.486 6.944 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100185849 JNPLPWZDLOIZHV-UHFFFAOYSA-N 562.686 5.664 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 100234660 JMPISPHUEHZBNT-OPJDEBTLSA-N 556.413 5.299 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 100335502 VHRYTALRNCRXOL-GIJQJNRQSA-N 593.248 7.040 50 10 KKGE Cc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1C 100869298 WESPDTFIEMSQLQ-DOPJRALCSA-N 508.092 5.928 50 10 KKGE N#C/C(=C(/O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 100989744 LQWSOHLWUXFNAI-PGMHBOJBSA-N 518.219 8.089 50 10 KKGE O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 101099298 UKMIIBLGDUOQRR-UHFFFAOYSA-N 535.309 5.631 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101293624 KBJUMCTYNSDOFZ-HKBQPEDESA-N 599.470 7.575 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101367944 OVKXJLDHKVLICG-LJAQVGFWSA-N 593.474 6.229 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 101375428 QXPZWAWOLQWJNT-MGBGTMOVSA-N 584.713 7.661 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387355 WUBZQORIDPLRBH-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387881 ARCMCPPEZXNQPR-BHVANESWSA-N 618.730 7.473 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 101391942 HFVKTMXBNATTNA-HXUWFJFHSA-N 596.706 8.606 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)c(C)c2cc1Cl 101392099 VHJPRILZWSQGPT-XMMPIXPASA-N 539.802 7.447 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101393168 PRASYZRNEWWWBU-LJAQVGFWSA-N 552.583 5.808 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)oc2ccc(Br)cc12 101396420 GSKBEXDOPFBTJH-MUUNZHRXSA-N 587.470 7.366 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399015 XVDSKMAAWJWZBD-YTTGMZPUSA-N 572.617 7.075 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612156 VBQDSKXGVJVAAS-RDRPBHBLSA-N 520.800 6.036 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)COc5ccc(Cl)cc5Cl)c(C)c43)coc2c1 101620437 CTIAPDQKCBMIJR-QNKGDIEWSA-N 611.482 5.497 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCc1ccccc1 101727079 UKGSESBKTABHGE-MUFRIFMGSA-N 582.545 6.445 50 10 KKGE Cc1ccc(Cl)c2c1NC(=O)/C2=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103724973 WJMVNGCYRCLXFM-UHFFFAOYSA-N 555.678 5.160 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 103742778 ZNOWBQSAGQMQFQ-SLSCBCEPSA-N 526.420 5.875 50 10 KKGE Fc1ccc(CC(CBr)(CBr)c2cccc(Br)c2)c(Br)c1 118878826 JPHJCEIMOPOHQZ-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)s2)cc1Br 128839216 RFBMJILTFZMUAK-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1 150431098 XWJWWXSAIMRTFA-ABZYITTCSA-N 684.312 5.837 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 150432042 GCXYNVWQJFFHAU-ZSYYNXLFSA-N 647.466 5.540 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433372 CUVSHMMKNOQBSW-SSEXGKCCSA-N 686.375 8.724 50 10 KKGE N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3ccc(F)c(F)c3)cc2)cc1 150456170 KDVVXGWQOYOZKY-JFMUQQRKSA-N 630.579 6.167 50 10 KKGE CCCCc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 207131069 XTMXOPGNOYBADM-CLCOLTQESA-N 518.635 5.766 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 221681587 AQLURWHBCUUICR-YVMHFRLHSA-N 710.852 7.267 50 10 KKGE O=[N+]([O-])c1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1 232473989 TXRXKLFFWRJTTA-ZDUSSCGKSA-N 510.951 5.641 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1ccc(NC(=O)C2CCC2)cc1 252617921 LBIINAAOHLVICO-UHFFFAOYSA-N 500.382 6.058 50 10 KKGE Cc1c(Br)cc(C(C)C)c(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c1Br 252622085 NOHGVOBSGVBRAI-UHFFFAOYSA-N 597.351 7.176 50 10 KKGE CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(C)(C)C)c3)c3ccccc3n2)cc1 252627878 SDFDHVHMVLAYHD-OAQYLSRUSA-N 520.677 7.554 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1Cl 252643235 ZTNQYNSFBOONMO-UHFFFAOYSA-N 501.366 5.449 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 254594287 BDJAOKYULIOBJM-IGFXRCSUSA-N 604.707 6.072 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254843136 AOJVULKCEGFAMO-UHFFFAOYSA-N 558.682 6.990 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1 254907399 HPSQFPSLBDMSAY-UQYWHXBZSA-N 504.637 5.135 50 10 KKGE CCn1cc(C(=O)NN=C(Cc2ccc3ccccc3c2)C(F)(F)F)c(=O)c2cc(F)c(N3CCCC3)cc21 263625503 OCFQINOKZUGPKX-UHFFFAOYSA-N 538.545 5.805 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1I 393635477 MLQUOJJPQIPGAY-JTQLQIEISA-N 508.354 5.064 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584195 AQLURWHBCUUICR-HJEWVGAYSA-N 710.852 7.267 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590371 QXQZQDMMTWVWDX-ZZKMFNJSSA-N 654.920 8.706 50 10 KKGE CC(=NNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725380086 ZEFBEQYBWIQMLS-ANCUJIGRSA-N 730.312 5.771 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 725399840 XIWUJZXNUCMWLN-UHFFFAOYSA-N 585.513 6.110 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc(F)cc4)c3C)sc3c2CCCC3)cc1 1083866620 JWTPMFMHVJCZTO-UHFFFAOYSA-N 528.653 6.498 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1 1083914337 AELGVVIJIHEAQN-UHFFFAOYSA-N 626.526 8.096 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cccc3c2OCCO3)cc1)S(=O)(=O)c1ccccc1 1084117544 SLTMEQRHZSHCPK-UHFFFAOYSA-N 576.074 5.579 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084121212 SZSFCZYCGYTVEZ-UHFFFAOYSA-N 583.483 5.341 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1Cl 1084125608 DQPJOTVZMNHTBG-MHWRWJLKSA-N 502.785 6.387 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 1084322940 RGFZGLPZSJDLEN-VXLYETTFSA-N 561.217 5.781 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1 1084443714 JTMXULVSFXQBBS-CIAFOILYSA-N 586.857 7.085 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc(Cl)c1Cl 1084452902 WDLJWKGFYBNUJI-UHFFFAOYSA-N 520.485 7.354 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)c1 1084603570 NHKOGKQLGHZOOV-UHFFFAOYSA-N 639.221 7.832 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748603 BJXIFFBNUHSVAG-UHFFFAOYSA-N 528.008 6.685 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NN(c5ccccc5)c5ccccc5)c(C)c43)coc2c1 1772751638 IITZLEDRGNEDKS-UHFFFAOYSA-N 560.654 6.833 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865688195 MWNRGQLIMOAKNW-QHCPKHFHSA-N 504.512 5.947 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688202 MYMJGVXLZAFUNG-HHHXNRCGSA-N 569.448 7.235 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OCC 1865689116 KDIFXOUAYJHUDR-HHHXNRCGSA-N 540.595 5.762 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 1865689163 LINKCXZINDWLGC-VWLOTQADSA-N 547.442 6.683 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865691024 HGGKUWMMMJAWOD-HHHXNRCGSA-N 504.590 5.698 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865691063 IHVKRLXPDIOWGR-XMMPIXPASA-N 571.903 6.783 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865691245 NQNJAHRVINHPFV-QHCPKHFHSA-N 542.558 6.086 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865692151 JLFYBNFRZRINRC-JOCHJYFZSA-N 557.876 5.925 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865694395 XMVVLXQLYXTPNY-VWLOTQADSA-N 543.023 6.217 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865695569 DXIXIGPFTOHEMO-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695747 SHDPVABJSNJWTN-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865696126 JZCNYNHQHJJCBZ-IBGZPJMESA-N 515.795 5.173 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700565 XMEHYMCAGQKIEV-VWLOTQADSA-N 507.981 5.960 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704215 QIJMVQFLDZFCLJ-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706264 ROVBKNVHQMWART-DEOSSOPVSA-N 514.969 5.193 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866128162 AJJJOFCOUICHSN-FOWTUZBSSA-N 529.843 6.726 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866656605 FEXTYHQODSDTRM-VWLOTQADSA-N 532.572 5.410 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866674581 ZHMHRAVKSPCAES-AREMUKBSSA-N 526.618 5.141 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3Cc3ccc(Br)cc3)n2)c1 1868505019 CDJXLZXCKFXBMC-DEOSSOPVSA-N 572.532 7.443 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2C[C@H]2Br)c1Br 1900361594 IDQPKVUTFPNEEF-JJXKXHSHSA-N 500.225 6.224 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924596429 OKLWBEWAAOVEDC-VIFPVBQESA-N 537.868 6.668 50 10 KKGE CC[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616552 QIIHWGGQYZRURF-KCJUWKMLSA-N 511.899 6.431 50 10 KKGE Clc1sc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)c1Cl 1925589475 UFDXIIDHKHDBIG-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2038997468 TZNXLHCAUSKFEN-HWGYLAOUSA-N 523.910 6.429 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 2069467169 YCOIJPSIDUQDNN-CAIWENDOSA-N 812.448 5.694 50 10 KKGE CN([C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1P(c1ccccc1)c1ccccc1)[S@@](=O)C(C)(C)C 2080760427 OGGSROVWKWCEQW-ZMEFLVBSSA-N 595.833 8.277 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)c1 2086150180 XQANZGBJUWGGKN-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC3(CCCC3)CO2)c1Br 2109977441 AUEXIUPWABYFHK-APPZFPTMSA-N 537.937 6.821 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648988 YOIAABCWNPOZOR-KCJUWKMLSA-N 501.456 7.531 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1C1CCC1 2141470039 DLIDZZCIVGUWPU-GIHMMQTOSA-N 536.327 7.453 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)cc2Cl)c1Br 2201077830 KFFYCBWFXSGKNF-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@@H]2CC[C@H](C1)O2 2206396583 YPLXCIJALQHVIO-ABQIWIFZSA-N 552.326 6.974 50 10 KKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398261 SOIRWDOEVWGSBF-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1 2224052078 JYROZPVXLNHXBP-VIFPVBQESA-N 540.873 7.215 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232526493 ILSQLEMDDOFVDJ-JTQLQIEISA-N 542.345 8.334 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Br)ccc1Br 2255959607 JTFNOTGEDNPOBL-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198185 GAAPAZQOAGJJRC-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)c(Br)c(Br)c1O 2293579784 KNMKNUSKXZMTQH-UHFFFAOYSA-N 650.755 5.566 50 10 KKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccccc1Br 2297331613 ZICJVMGEDYRVAH-UHFFFAOYSA-N 500.972 5.225 50 10 KKGE N#CC(=Cc1ccc2c(c1)OCO2)C(=O)O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 2297486824 SMBKGZUJDDXIFU-QHCPKHFHSA-N 528.870 5.918 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521323 GMLRSFFRQZYMIY-UHFFFAOYSA-N 515.778 6.905 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1F 2313567505 KOGJNNPQVJFDAC-UHFFFAOYSA-N 564.455 5.822 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 2313630750 GEJCGJWGEFGZLI-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592317 QQUJMAMMHDWTNF-HSZRJFAPSA-N 538.456 6.457 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314592433 TUXKSZALSMPDQA-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593392 MHPILYCZCCMBNE-QHCPKHFHSA-N 542.444 5.728 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OCC)cc1 2314594031 XRZJYCLGYTXPNX-NRFANRHFSA-N 502.423 5.121 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314617849 BVECAKUHOIUIAX-DEOSSOPVSA-N 574.656 7.211 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634536 GXTBPZYSAILNDQ-LJAQVGFWSA-N 510.590 5.838 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643212 IOKFIOQFWLIIEX-HKBQPEDESA-N 603.889 8.063 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OCC)c1 2314737239 TXOWUJQABHCMHO-UHFFFAOYSA-N 567.636 6.807 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2occc2Br)c1Br 2315439177 ARVNPSUFEITZRA-SECBINFHSA-N 526.219 6.844 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(Br)ncn2C)c1Br 2315625589 OXOFKGPKYFMIPO-SNVBAGLBSA-N 501.842 5.500 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)cc1Cl 2331377352 NVTBNYOWFIRYBX-NSHDSACASA-N 511.814 7.048 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OC 2331467660 RTEHZRDZOLWDDG-UHFFFAOYSA-N 517.478 8.157 50 10 KKGE Cc1scc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 2343552841 IKJVVZCWRHRQJX-CYBMUJFWSA-N 514.020 5.843 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)ccc2Cl)c1Br 2362249478 GZAOGKXYMKKABT-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE CCN(C[C@](C)(CBr)OCc1c(OC)ncc(Br)c1C)C(=O)OC(C)(C)C 2368197501 HUWYLGAYVMEVKU-IBGZPJMESA-N 510.267 5.088 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccc(I)cc1 2380942827 USVVQXIWYPUUBU-QGZVFWFLSA-N 508.035 6.970 50 10 KKGE C=CCc1cc(C=NNC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)cc(OCC)c1OCc1ccccc1Cl 8451702 WIIJPZOOUQEEJQ-MUUNZHRXSA-N 568.139 5.941 50 10 KKGE COc1cc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc(Br)c1O 9693574 MAVSKTTYGVSMCR-OAHLLOKOSA-N 506.809 5.036 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 38679983 JHWRQZRNBOPPOO-VWLOTQADSA-N 509.389 6.319 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38685191 JEPJXBHGJDBHJM-PMERELPUSA-N 526.633 6.366 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccc6c(c5)OCO6)c(C)c43)coc2c1C 40826629 GUFWTVLCMXZLBJ-WEMUVCOSSA-N 527.577 5.009 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59146370 WIXNPYGNSHMUOF-QEEGLZPVSA-N 518.400 5.981 50 10 KKGE CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 72399859 ZIFSFLGSUTZFCP-JOYVSDHBSA-N 592.759 5.435 50 10 KKGE in-vitro CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97915121 IMWDYVLXZBSQHD-SANMLTNESA-N 505.486 6.277 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2c(=O)[nH]1 100920301 RSNBQDLAVVDCJG-PTGBLXJZSA-N 562.655 5.015 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)C[C@H](C)O1 101013835 YRMXEMKFPHHWGW-GORZKMDOSA-N 623.156 5.329 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244854 AGIHOSKJWQVLFO-DXTZOESMSA-N 522.457 6.675 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101333341 KZQNQPAOFAOOOL-TWKHWXDSSA-N 574.656 7.040 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101333873 IYHKAWGAMZZFKP-STBIYBPSSA-N 546.602 6.258 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1Cl 101335626 UGVJEUNYKJVYMX-LFVJCYFKSA-N 545.039 5.610 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 101339193 ASWXSPVFYHOQTQ-YZSQISJMSA-N 592.627 5.539 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 101369095 MRDZYXVRORIAAU-XGCWNURASA-N 563.448 6.172 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101376142 ZHOUSFZPOZNCPI-HHHXNRCGSA-N 567.469 7.254 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381893 KBZQUMUQLQRDMI-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385448 PSHBRQPZFZPYAB-UMSFTDKQSA-N 576.649 6.348 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)oc2cc(Br)ccc12 101391922 VIMICGDUCYVCAW-HSZRJFAPSA-N 546.333 5.849 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)oc2c1 101394124 KTVMKIAOHLYMOR-RUZDIDTESA-N 529.390 6.558 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101395834 NZMKJGAJONLLJG-WJOKGBTCSA-N 601.099 7.964 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 101662948 TXMQVVTYJBFLDL-KCSSXMTESA-N 538.445 6.648 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 102834454 GFXPVGOKYMZPFW-GQPXRJKTSA-N 559.069 7.556 50 10 KKGE CCOc1ccc(/C=N/NC(=O)CSc2nc3scc(-c4ccc(C(C)C)cc4)c3c(=O)[nH]2)cc1OC 103707653 UKATYBSIHYCVLD-XODNFHPESA-N 536.679 5.425 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 150416303 CRVZBSDOFBDJGF-IRXDYDNUSA-N 650.387 5.561 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 150422097 HSVYWHIABHCXOA-RQZCQDPDSA-N 627.693 7.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479615 XCVPFRPZEYEXGA-DEOSSOPVSA-N 745.657 10.042 50 10 KKGE COc1ccc(C(OCCOCCCSSCCCOCCOP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 150664165 GXVLBWDZYQWKFD-UHFFFAOYSA-N 773.011 9.500 50 10 KKGE in-vitro O=C(Nc1c(I)cc(I)cc1I)[C@@H](Cl)c1ccccc1 154521110 PPBRZLHZOPWSFF-LBPRGKRZSA-N 623.397 5.419 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Br)cc1 164640833 HVDVKTVFXGGHOK-KVSWJAHQSA-N 637.122 7.072 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 170152703 PPFHNIVPOLWPCF-MJCUULBUSA-N 541.071 6.075 50 10 KKGE in-vitro CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1 207146966 GZIDTJIHJMEGMQ-NDENLUEZSA-N 536.579 6.689 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 214224854 XXYIYJXNSDMHIZ-HAHDFKILSA-N 525.565 5.239 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214383206 ILUKDXFSMUHAHC-YSMPRRRNSA-N 510.565 5.904 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 221320748 PTBKEUDRTSQWJU-SLXFIYITSA-N 699.178 10.693 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)cc(Br)c1 236230057 AVYUZAAHQJRLQH-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3cc(Br)ccc3F)s2)cc1 254311531 GBAASTTUWRESAH-UHFFFAOYSA-N 511.467 5.283 50 10 KKGE C/C(C=NNC(=O)CNc1cccc2ccccc12)=C\c1ccc(/C=C(\C)C=NNC(=O)CNc2cccc3ccccc23)cc1 254372587 RINRJDWQJOBHBI-YZXOAWDUSA-N 608.746 7.228 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)COc2cccc(Cl)c2)c1 254383611 DBSRGTMTELQFQH-UHFFFAOYSA-N 580.660 5.922 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)o1)c1ccccc1Br 394276839 YLISHIARJJWVFA-UHFFFAOYSA-N 515.865 6.075 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)c(F)c1F 398579201 KUMRIIRLHYTTBM-LLVKDONJSA-N 584.793 6.718 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C=O)[C@@H]3C[C@H](Br)[C@]2(Br)C1 605692510 CLWWIOYWYDVVRU-HGAOHPNNSA-N 532.357 6.303 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCN1c2ccccc2CC[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616669221 OBYZMOFZCJSOAD-MUUNZHRXSA-N 511.899 8.724 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(C)c1NS(=O)(=O)c1cccs1)C(=O)O 675031803 OCGAUJFQXPTYQA-RZVXFNBMSA-N 551.646 5.016 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(Br)cc2c1OCCC2 688412374 OPINAIMIYAWZBR-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE Cc1cccc([C@@H](Br)c2ccc(F)c(Br)c2F)c1I 691637564 WVCXKSFEYBPNHU-NSHDSACASA-N 501.934 6.125 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721589321 SNSVLBBXJPBZAQ-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE CC(C)(C)Oc1cccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)c1 725238942 ZHVKTWQFSUPGDY-JOCHJYFZSA-N 524.992 6.896 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 725388693 AJZPYVIPMOXHHU-YTTGMZPUSA-N 550.659 5.907 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)cc2)S(C)(=O)=O)cc1C 725414438 FSWDIKQPPNDCML-UHFFFAOYSA-N 597.568 6.748 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 936069085 HRYAQLIYKSXPET-XMSTWNTJSA-N 988.212 11.054 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 1083892687 MURQNHZPUCHAOC-UHFFFAOYSA-N 520.181 5.291 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)c1 1083908856 BZFLIIJNNVMRTI-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 1083924042 HQLSFJYKGBFBJP-HSZRJFAPSA-N 590.312 6.153 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1084039600 GGGSUXOWNLEZTR-UHFFFAOYSA-N 519.646 6.681 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1 1084088968 LVCFXQCVRJPDEO-UHFFFAOYSA-N 603.685 7.525 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084199440 IBQVINIGVCVRRX-OVCLIPMQSA-N 646.081 7.624 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084358839 BLKXOYRKUBUXAD-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc(O)c(Br)c1)NN=Cc1ccc(O)c(Br)c1 1084458491 BPNATMROWADUHA-UHFFFAOYSA-N 624.374 6.124 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c1C 1084644839 CYPYPZMJEGJGOJ-UHFFFAOYSA-N 523.475 5.070 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 1565517943 CIPJOORYERBWQL-UHFFFAOYSA-N 645.745 6.055 50 10 KKGE CC[C@H]1C=C([N]NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)Oc2cc3c(cc21)CCC1(CCCCC1)O3 1614106859 AGNXIAOJZNIBNH-NRUKRWIHSA-N 600.761 6.106 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614615803 PRQGUTCFHIXHCX-RHSMWYFYSA-N 500.720 5.035 50 10 KKGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@]2(C)CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O)OO 1615257441 JZASRXZWIPRQHB-BGLUGSSNSA-N 680.876 5.263 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 1772755151 QBCPCXGIBIPLJU-UHFFFAOYSA-N 655.398 7.849 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688273 OINVJTNCMKEMDA-QHCPKHFHSA-N 577.866 6.337 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865689785 WNOMVJLVSSOPNL-HXUWFJFHSA-N 502.468 5.105 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865692223 CZFDONPSXOBELU-NDEPHWFRSA-N 555.078 7.048 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715188 YTBPOBMNJSHEAH-HSZRJFAPSA-N 529.940 5.092 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866986293 ZVHNIBPWKDLACZ-LOSJGSFVSA-N 542.488 6.378 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C1 1868414048 GXOAVNQLLYMXND-LJQANCHMSA-N 528.081 7.843 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745282 GAVACYDQWGFCAZ-GHIWRQRASA-N 503.580 5.331 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748853 PXLIETYLUIDBGH-DJFNHCPNSA-N 514.390 5.749 50 10 KKGE CCOc1ccc(CC/C(O)=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OC 1872756366 IVHRMWDRLZDYQS-JZJYNLBNSA-N 501.004 6.313 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1Cl 1872757611 NTBQWRPHGZHSEN-JXAWBTAJSA-N 504.839 7.460 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 1872758146 NDYLZEPRNFALHN-PYCFMQQDSA-N 503.992 6.271 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c2ccccc12 1872795213 SYVPOQPNDKQLKV-CJLVFECKSA-N 509.030 8.268 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C[C@H](Br)COCc1ccccc1 1904344596 WPXDNSLGPRCJRJ-INIZCTEOSA-N 553.076 5.466 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCO[C@H]32)c1Br 1907587806 MANNIOQGIYATDI-BBERBSMNSA-N 509.883 5.897 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)Cc1ccc(Br)cc1 1923065784 HJVLIALXGUDBGC-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE Clc1cc([C@H](Br)Cc2ccccc2I)sc1Br 1940447805 QLCFYVFRVGNMAW-MRVPVSSYSA-N 506.428 6.447 50 10 KKGE CC(C)(F)[C@](C)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 2003229573 BSMSPTPOFURSKC-QUBYGPBYSA-N 519.869 6.948 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(I)sn1 2007646022 VIPXIJHQWLCKMU-JTQLQIEISA-N 511.379 5.787 50 10 KKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2013840542 XUKBUCXLDZIXPH-FSDSQADBSA-N 511.899 6.287 50 10 KKGE CC1(C)CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2039359442 KGRYFBXHZUGPAE-VIFPVBQESA-N 523.954 7.688 50 10 KKGE Cc1nc(C[C@@H](Br)c2cc(I)ccc2Br)sc1C 2085798449 RDTAYKBZPJOITG-GFCCVEGCSA-N 501.025 5.806 50 10 KKGE Cl[C@H](c1ccc2sncc2c1)c1c(Br)sc(Br)c1Br 2120655571 FJXUNRLQPVADHN-SNVBAGLBSA-N 502.478 6.974 50 10 KKGE C[C@@H]1C[C@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141469249 TZKJPZGOKVFLQA-XSSZXYGBSA-N 540.315 6.832 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2CCCCC2)c1Br 2141470667 JFVPKDTWDCUFKQ-VIFPVBQESA-N 582.794 8.143 50 10 KKGE CC(F)(F)CCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141474022 WJAPTZPMISLIMH-QMMMGPOBSA-N 548.285 7.842 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1Cl 2142286593 FMNDSFTYQBKQIO-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sccc2I)c(C)c1Br 2220156494 HQHAGBKNHCZFAB-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2)c(C)c1Br 2227350641 IKSHDVZJHFVYML-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)sc(C)c2C)c(C)c1Br 2235597285 BLXLTFPQUBLRFL-CQSZACIVSA-N 501.509 7.597 50 10 KKGE Cc1cc(Br)c(CBr)c(OCCOCCOCCOCc2ccccc2)c1 2236084214 GZAPMKQLKGOANY-UHFFFAOYSA-N 502.243 5.281 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(C)c(I)c2)c(Br)c1Cl 2283550524 FYLHEVAQBXSPAE-ZDUSSCGKSA-N 530.425 6.508 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C(C)C=Cc2ccc3c(c2)OCO3)cc1 2293188305 GYRUEXVVEXSNKD-UHFFFAOYSA-N 524.621 5.238 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1Cl 2296506805 FWYKNXAYAOOBSF-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CC(C=NNC(=O)CNc1c(Br)cc(Br)cc1Br)=Cc1ccc(C(C)C)cc1 2296646542 NDOSVTCZDOPACK-UHFFFAOYSA-N 572.139 6.715 50 10 KKGE Fc1cccc([C@H](Cl)c2sc(Cl)cc2I)c1I 2300949700 PEVLCUATZFZQAR-VIFPVBQESA-N 512.940 6.078 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556960 PKWOKOIRMORVJA-UHFFFAOYSA-N 597.456 6.771 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 2313568095 RGFZGLPZSJDLEN-UHFFFAOYSA-N 561.217 5.781 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314486863 FOKQTJTVMKBGIE-UHFFFAOYSA-N 552.409 7.551 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(Cl)cc3Cl)nc12 2314532076 GFBYGRURHBIBLQ-UHFFFAOYSA-N 525.779 6.301 50 10 KKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314548693 VDXRUHUWIKTVDM-UHFFFAOYSA-N 502.551 6.599 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591976 IUZZBIDXKAWBGJ-XMMPIXPASA-N 553.562 5.788 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592528 WRKBCLVPAFMHQA-XMMPIXPASA-N 564.461 5.531 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314618428 NKYMMGRBQWFRNO-UHFFFAOYSA-N 529.420 5.600 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314620554 QLNGZCBHKPKPPO-UHFFFAOYSA-N 576.697 7.363 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)nc2scc(-c3ccccc3)c2c1=O 2320486387 GFNGFKXAZRDOLN-UHFFFAOYSA-N 601.153 6.786 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331232688 UEVULFXYHHEGBX-PPHZAIPVSA-N 519.626 6.981 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1OC 2331323577 HEIJDCYIVIPUNT-IBGZPJMESA-N 519.623 5.028 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 2331381195 UWHXBXJVEFCCDT-NSHDSACASA-N 511.814 7.048 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC 2331404063 WFYCPOAZPKBEHE-UHFFFAOYSA-N 520.394 5.365 50 10 KKGE Cl[C@@H](C[C@@]12CCC[C@@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2333303358 ABPOVOJTTROOQB-IMIVBSTGSA-N 536.327 7.597 50 10 KKGE C[C@@]1(CBr)CC(F)(F)CN1Cc1ccc(I)c(Br)c1 2349852390 KWLBFZNNGWBPRB-LBPRGKRZSA-N 508.970 5.048 50 10 KKGE Cc1cccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c1I 2365186624 SCRIIQZOKSNRJS-GFCCVEGCSA-N 576.867 7.056 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2365596460 VMVXWNFMBZAUCJ-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Cc1ccc([C@@H](CBr)OCc2cc(I)ccc2Br)cc1 2367602034 PDUYDRJWUQAECM-MRXNPFEDSA-N 510.007 6.015 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 2369431604 TYYBPYUBWFJVHD-OAHLLOKOSA-N 509.160 5.568 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1Cl 2358655 OTGCHKJUHHNDAK-CTHAODRQSA-N 508.430 6.367 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38682486 AKGQFNFSNACNBY-HHHXNRCGSA-N 500.620 5.909 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)c1 38684737 HEIBSPOQANBQHW-NDEPHWFRSA-N 502.998 6.131 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687040 BTDBWLHGQKYIFQ-DEOSSOPVSA-N 501.007 7.115 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38687585 WTJAJKHYNIEUPO-NDEPHWFRSA-N 508.574 6.666 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)cc1 39992924 DLQYGQUVPRCXPV-OQKWZONESA-N 522.561 5.080 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)c1 40530086 QJTACLNWUAZPRY-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)cc(Br)c1OCc1ccccc1 40912393 IXYHXBMZPATVTM-UVHMKAGCSA-N 517.807 5.528 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)cc1 97915150 ADPDYZLZEZRQBP-GDLZYMKVSA-N 513.122 6.712 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(C)c1 100235658 JJSSTYZZFLIZNC-OSGOCAMQSA-N 565.508 6.428 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 100360591 GIAHTCBWJHAQJH-XDHOZWIPSA-N 540.357 5.433 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 100987071 WGGVSWSVOVYDKK-OCSSWDANSA-N 548.596 6.538 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CCCC2 101033303 DMNQOWSJUIHYMA-HEHNFIMWSA-N 552.656 6.211 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245334 AFOKHCAZVICCGF-NNHPPCHPSA-N 570.036 7.349 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246048 MLPWQURPZKXJQC-HFVAWESISA-N 549.618 7.202 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339715 IJFZLGKKYQLEMG-JVWAILMASA-N 574.662 6.172 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101374151 AGKUFIMXXJKHLV-HHHXNRCGSA-N 563.994 6.263 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379259 WFGDMKRCZDEFMV-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380022 FIHQTJZLCUPCHX-KATKFWMUSA-N 595.095 7.633 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1F 101388912 REDGFRRRLPFNBX-KACQLMOOSA-N 562.597 6.640 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@H]5C)c(C)c43)coc2c1C 101619629 AETGYJYCAWQUGQ-KEFGSIFQSA-N 541.623 6.471 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4c(s3)C[C@@H](C)CC4)ccc21 102940720 WNZPZFVYQIAJRS-WPJOPHNKSA-N 539.708 8.313 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1I 103728900 MAUAVEHZQQUYKW-GESPGMLMSA-N 573.206 5.025 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1 103879080 RHJSXHZUHLAFBP-QLQYKETESA-N 608.536 7.875 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)s1)c1ccccc1Br 118672036 OQQSNLNDBROEFE-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE CCCCCCCCCCCCC(=O)N/N=C/C1=CC(OC)=C/C(=C\NNC(=O)CCCCCCCCCCCC)C1=O 137887069 DEWUTUAZWUYGBK-RREAEDJISA-N 600.889 8.255 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 150486443 CJLOCVFCRGKKCW-AREMUKBSSA-N 643.976 8.876 50 10 KKGE Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C\NNC(=O)c1ccncc1)C(=O)C(O)=C3C(C)C)/C(=C\NNC(=O)c1ccncc1)C(=O)C(O)=C2C(C)C 150649249 RXHCVUPWXGJPSU-XUIWWLCJSA-N 756.816 5.738 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 214313639 UHXXMBXKOFAFSJ-PRMIBHTQSA-N 632.746 5.147 50 10 KKGE O=C(Nc1ccc(CCBr)cc1)c1cc(Br)ccc1I 232464542 CRXFDNDBBVJSLR-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2Cl)cc(C(C)(C)C)c1O 252637792 XWFDYMRTSZTEIP-MRCMVAADSA-N 538.113 6.623 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1 254378228 OASKQWHAOSKFFT-UHFFFAOYSA-N 689.980 6.485 50 10 KKGE O=C(NN=Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 254478480 AFQAEWVZNXZPRH-UHFFFAOYSA-N 515.569 6.300 50 10 KKGE COc1cc(C=NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 254792291 UXELRRXXQXXZJV-PMACEKPBSA-N 534.632 5.174 50 10 KKGE CC(C)c1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256019318 UHLGNTHJWCOSTN-MDASCCDHSA-N 522.119 6.434 50 10 KKGE Cc1nc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)sc1C 256022837 UYACKOPGHIHOAE-TURNYIBQSA-N 515.109 5.384 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1cccc(C)c1 256028484 PHNGURUHRNIFSO-UHFFFAOYSA-N 583.533 6.106 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccccc2I)C1 394514543 GJNYWTHBCWQQRB-DOTOQJQBSA-N 547.174 5.078 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc4ccccc34)cc2Br)cc1 725409905 LITBCKRRUDRUOB-MUUNZHRXSA-N 591.502 6.553 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(Br)c(C)o2)cc1)S(=O)(=O)c1ccccc1 725416954 WUHVCYQMBKWGMQ-UHFFFAOYSA-N 600.922 6.472 50 10 KKGE CCC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1 1084434805 XQJLVZYKUQTDDK-UHFFFAOYSA-N 584.016 5.502 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084575147 AADUKIOUHOTJTH-AREMUKBSSA-N 586.765 6.987 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 1084616101 AJFHTVWXGDXRSJ-UHFFFAOYSA-N 531.528 6.392 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 1614653453 AZCPOSVKAVQUFN-IMFYXPRTSA-N 537.729 6.895 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742949 REQONEPKGBBMIU-UIZJGYIGSA-N 566.510 6.696 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Br)cc2)CCC3)cc1 1772743932 OLIDDSKKPKQXRE-UHFFFAOYSA-N 538.398 5.250 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NN(c5ccccc5)c5ccccc5)c(C)c43)coc2c1C 1772751598 GXJOVIJFMIASDD-UHFFFAOYSA-N 560.654 6.833 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 1865688889 DIFFCJIAMSWXMP-NDEPHWFRSA-N 571.475 6.448 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690203 LFAJXWBSXMLFKU-SANMLTNESA-N 514.988 6.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OC(C)C 1865697109 NKEDYBDIKHKZQW-FQEVSTJZSA-N 502.468 5.103 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703661 YKAZEOWIAMJENE-LJAQVGFWSA-N 550.659 6.473 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703846 GTNIJOIDBGUFOQ-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707546 ZDHNRXONGYBBQK-JGCGQSQUSA-N 539.683 7.223 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711521 AOFUWGFAGCQCAT-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866765414 WVCBFPASZTYQSJ-WDYNHAJCSA-N 541.623 6.426 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(F)cc2)cc1OC 1867222670 XRJHNLHCRFVUGW-JOMNFKBKSA-N 569.658 6.434 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342567 WICRKGJYMNTADF-HHHXNRCGSA-N 517.699 6.868 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)nc(-c3ccccc3Cl)n2)cc1 1868414035 GQXJGRWOCKEHHW-WJOKGBTCSA-N 564.089 8.405 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(Cl)cc2)cs1 1872748395 VQHUZUFTDRZQJX-VLGSPTGOSA-N 500.761 5.315 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)c(F)c5)cs4)cc3C2=O)c(C)c1 1872751503 KYKVLFATRMEEQY-QQTULTPQSA-N 513.525 6.456 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 1872752153 PELDSASFPLVXTJ-PUOGRZEHSA-N 501.995 6.471 50 10 KKGE Brc1cc(COCCCCCI)ccc1I 1904371582 KORBWYBXXQLLIA-UHFFFAOYSA-N 508.963 5.176 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1916383528 KUADTQVQETWBBI-QGZVFWFLSA-N 520.059 5.264 50 10 KKGE Clc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924582800 BAPVKOFPTVQGCN-QMMMGPOBSA-N 524.297 7.173 50 10 KKGE Cc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1I 1925583288 CAGJMZUHJNVVIX-QMMMGPOBSA-N 540.873 7.215 50 10 KKGE O=C(N[C@@H](CP(c1ccccc1)c1ccccc1)C1=CCC=C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2080763737 PBTSAKUSOPAKHX-VWLOTQADSA-N 533.452 6.842 50 10 KKGE Clc1nsc(COc2c(Br)cc(Br)cc2CBr)c1Cl 2110935502 VBSDITHLNJHTNI-UHFFFAOYSA-N 510.860 6.449 50 10 KKGE CC(C)(C)[C@@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2133383567 FNUFWOMQIITKHC-CQSZACIVSA-N 502.032 5.086 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Cl)c2sc(Br)cc2Br)c1 2172409102 TTZMEDHJZZHXQL-JTQLQIEISA-N 513.398 7.383 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 2175011027 SJLRRQUDWXNBAY-ZWKOPEQDSA-N 585.445 5.649 50 10 KKGE FC(F)(F)CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206398604 WUCPYLQLLRKFRC-SNVBAGLBSA-N 608.710 7.905 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)cc3c2OCC3)c(C)c1Br 2234464113 KWGICKWSPCKNLF-CYBMUJFWSA-N 528.047 6.151 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1scc(Br)c1Br 2264356498 NALJVERCUUQKJC-JTQLQIEISA-N 509.872 7.026 50 10 KKGE COc1ccc([C@@H](Br)c2ccccc2I)c(Br)c1Cl 2268264083 OXNIWFYVPXBYKE-LBPRGKRZSA-N 516.398 6.200 50 10 KKGE COCC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC(F)(F)C1 2278211576 PGBGDIOCXRYAJL-SSDOTTSWSA-N 503.428 6.424 50 10 KKGE Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2293228319 ULSKZEAGDMEDFC-UHFFFAOYSA-N 532.021 6.563 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2295869846 NPUHFBXGQDRZKS-UHFFFAOYSA-N 523.452 7.023 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 2296001945 JIXMRXUJMGLENG-JOCHJYFZSA-N 596.845 7.731 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2296466029 CLQAKMHWMGGABT-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2297459150 JBJMIZBJOBUGMB-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1 2297710107 RJNQAUDYESKCNP-UHFFFAOYSA-N 561.057 6.616 50 10 KKGE FC1(F)[C@@H]2CC[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2308643618 XBWSKTCTPUMMPT-ZCBVHYEASA-N 529.864 6.763 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccc(Br)cc1 2313676670 QJLMLIMGMOVGLP-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)cc1 2314477885 BGPPLUJGFMKKNE-UHFFFAOYSA-N 521.624 7.378 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592381 SCUHIVLSFORBKE-HHHXNRCGSA-N 511.647 6.192 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314610734 LTFPGUAEARBKGF-UHFFFAOYSA-N 574.656 7.040 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C(C)=C(C#N)C1=O 2314611257 RRQOUTSSSZBRIN-UHFFFAOYSA-N 536.676 6.809 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314611302 SPIFQOQXAQHMTJ-UHFFFAOYSA-N 514.585 5.649 50 10 KKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314616453 AWQXNCPPZJVBSE-UHFFFAOYSA-N 539.459 6.896 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314619924 HDTXUVRXCFPALJ-UHFFFAOYSA-N 583.873 6.748 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314620401 PFVIYKQQNIRCAE-UHFFFAOYSA-N 590.611 5.413 50 10 KKGE C[C@H]1CCc2c(sc3nc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)n(-c4ccccc4)c(=O)c23)C1 2320729579 XJUSWZJEBNTVDZ-INIZCTEOSA-N 542.711 6.186 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OCCC 2331293507 SSWXXFGLEGUDJV-QFIPXVFZSA-N 517.651 6.229 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311927 MXTBEQCDVWXYFP-UHFFFAOYSA-N 500.234 8.076 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2331431935 FRUVNAYWXQWUJU-UHFFFAOYSA-N 507.840 7.869 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)c1 2331450443 KPBHSEZJCRTOOZ-UHFFFAOYSA-N 512.631 6.912 50 10 KKGE CC1CCC(CI)(OCc2cc(Br)cc(Br)c2)CC1 2337097904 NOQTWYDRKBEJFV-UHFFFAOYSA-N 502.028 6.112 50 10 KKGE COc1ccc(C[C@@H](Br)c2sc(Cl)cc2I)c(Br)c1 2338888878 IQUTVORIBKFSAS-SNVBAGLBSA-N 536.454 6.456 50 10 KKGE BrC[C@H](OCc1cc(Br)cc(Br)c1)c1ccccc1Br 2362241415 XBTZMUFKGBFRMC-HNNXBMFYSA-N 527.876 6.627 50 10 KKGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)C(=O)NC1CCCCC1 2200004 YWHGZTUICNOAJL-QOMWVZHYSA-N 517.633 5.257 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)cc2)cc1 33380622 PGDUOJRNIFVBJE-NHFJDJAPSA-N 516.645 6.783 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 38679394 XXJYQXVATULRPK-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1F 38686896 MKZJPVMJCRPTOZ-HHHXNRCGSA-N 512.493 5.444 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 39858556 VTTGITAEXSZXPK-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE O=C(OC[C@H]1O[C@@H](Cl)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 72131056 XVLSIQHWHHLLPV-WZYRSQIMSA-N 584.235 6.219 50 10 KKGE in-vitro COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1OC 100869887 IXZSLDQUDDIZQC-FMFFXOCNSA-N 531.568 5.902 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]2Br 100921830 JBUQPVQGHXJXSX-WTNAPCKOSA-N 606.580 7.757 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240981 VOEKGRPSBSFWDD-SJCFVWOQSA-N 516.066 6.206 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241115 PVDRORIKBQSNQA-MZOFLMDJSA-N 538.456 5.745 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 101286692 MOEOYXONJTXXNJ-STBIYBPSSA-N 541.611 5.600 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101332270 PCXFVVWVODHZAL-WGOQTCKBSA-N 535.003 5.994 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1 101367343 SVJZNHSHOZDVOT-GDLZYMKVSA-N 549.539 5.620 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5Cl)ccc43)cc2)cc1 101378658 CHFAGBORXKZSDN-HKBQPEDESA-N 553.014 6.430 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380544 KLJYKDJGYFKIFS-PMERELPUSA-N 536.559 6.241 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384579 XFJCZMIWKPFRTG-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387335 SRGHTQZDIQRAOH-VTLMBFNKSA-N 594.639 6.567 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)oc2ccc(F)cc12 101391518 UROAODSNFGWGBX-QHCPKHFHSA-N 519.326 6.080 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101395130 FJLPNAFPXHIRRO-NRFANRHFSA-N 585.852 7.085 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398238 GQTVJYXTZSKXDA-WJOKGBTCSA-N 615.513 8.107 50 10 KKGE Cc1ccc(-n2c([C@@H](C)N(CCc3ccccc3)C(=O)[C@@H](Cl)c3ccccc3)nc3ccccc3c2=O)cc1C 101983833 FDKFVQDYORMQQZ-NJHZRGNWSA-N 550.102 7.115 50 10 KKGE CCc1cccc(CC)c1-n1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nnc1-c1cccnc1 103103849 LHOXQLJUUKKJBT-SZXQPVLSSA-N 524.675 6.068 50 10 KKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104799981 WGCLWLOFDINEEV-UYRXBGFRSA-N 517.522 7.302 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 104990009 ZXUCEBMJHIQTQB-NMSHJFGGSA-N 541.692 6.766 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1ccc(I)cc1)OCCO2 109865369 LCAVWIBZXFTNTC-OAHLLOKOSA-N 509.963 5.309 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205661392 HUXNSGSUVQEDPL-VZIOTQQASA-N 564.726 8.170 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 214286058 HAJBUSFOHFDQLV-UQQQWYQISA-N 512.635 5.280 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214318521 WKMQVBMXQAHAQV-UXLQVQPCSA-N 530.584 5.557 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214353561 VOHKPKBMMPDJCG-MIXAMLLLSA-N 544.586 6.036 50 10 KKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5O[C@]6(CC[C@H](C)CO6)[C@@H](C)[C@@H]54)[C@@H]3[C@H](Br)C(=O)[C@@]2(O)C1 253530604 NZMXPNPAWOZZDY-AQCBAAMWSA-N 567.561 5.032 50 10 KKGE biogenic COc1cc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 254379317 GZZXTADZVRBNDC-UHFFFAOYSA-N 538.648 5.809 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 254484381 MVIOINYFAFQMGZ-UHFFFAOYSA-N 519.215 7.375 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12)c1cccc(NC(=O)C(F)(F)F)c1 254911900 RCYZSNJZEDOUQJ-UHFFFAOYSA-N 524.930 6.518 50 10 KKGE Clc1ccc(I)c(COc2ccc(Br)c(CBr)c2)c1 405306858 QUWRWQFSOIMFNZ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OC)ccc2n1Cc1ccc(CBr)cc1 498049384 RDYNEQWGPWNVKI-UHFFFAOYSA-N 546.571 7.616 50 10 KKGE C[C@H]([C]1C=CC=C1c1ccccc1P(c1ccccc1)c1ccccc1)P([C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 604982874 CGFLFABMIGBJIL-LLPVLNAOSA-N 573.721 9.220 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@](O)(c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 605699582 GMAAWBBEKMFGHB-BLTWGMEHSA-N 709.190 8.687 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c2ccccc21 616675940 UGEIKZJEAQFEKU-SANMLTNESA-N 511.899 8.572 50 10 KKGE c1ccc(P(c2ccccc2)c2ccccc2-c2c(P(C3CCCCC3)C3CCCCC3)ccc3c2OCO3)cc1 642813918 FTYIHYGWQUMKFZ-UHFFFAOYSA-N 578.673 8.613 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1scc(Br)c1Br 705448085 PNLKOZKLTLSJKY-NSHDSACASA-N 533.905 6.919 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Cl 1083936776 LCILOBCIUIHGBT-WOJGMQOQSA-N 544.776 6.078 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 1083962952 LTEHQMDPMQKXHE-XMMPIXPASA-N 541.442 5.399 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 1083978727 WHXSQQAHFXGDPO-UHFFFAOYSA-N 626.960 6.579 50 10 KKGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c(Cl)nc2c1 1083989216 CNHZPLFYOWVVQE-UHFFFAOYSA-N 587.883 5.005 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084117747 JUOFAUKODFQRKG-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084289670 HBHDFSWIHNTFGM-HHHXNRCGSA-N 516.594 5.055 50 10 KKGE Cc1cccc(NC(=O)Cn2cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)c1 1084597118 ZEBJTVSLYJZALZ-UHFFFAOYSA-N 565.677 7.118 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1084625397 ZRUYCFLRWPXGNG-UHFFFAOYSA-N 622.515 7.679 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 1565517621 VBGJRZHYERFZKV-UHFFFAOYSA-N 522.558 6.006 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1565536333 ZKUCDSCKSARUCE-HKJRJGLYSA-N 826.968 15.850 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653265 CDIQGLBDCVAPNZ-NOVAABBUSA-N 552.483 6.306 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 1772756143 ZMYSMUFRKXDDAA-UHFFFAOYSA-N 505.453 5.853 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686126 RQEFOAUFLFDBMJ-XMMPIXPASA-N 517.416 6.440 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686392 UYKXWVCJSYQBQT-HSZRJFAPSA-N 503.389 6.381 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865690923 FBPUZMPGWUWUOJ-QHCPKHFHSA-N 567.484 5.993 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865691821 BZUUULIAGAKYHJ-VWLOTQADSA-N 559.022 5.504 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(OC)c1OC 1865692674 OOBZTYSHEFPWDT-QHCPKHFHSA-N 514.969 5.437 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865693450 VRZWHUSERMBIAG-HSZRJFAPSA-N 571.903 6.315 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865696303 LVHVOZFPYCCIOF-AREMUKBSSA-N 516.642 6.010 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696379 FGPARUXEPFFHBP-QHCPKHFHSA-N 513.425 5.815 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)cc(Br)c1O 1865701127 MMKOPODFYJCZHW-MRXNPFEDSA-N 516.193 5.019 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1C 1865703456 VXBFUQUZKLRZFR-GDLZYMKVSA-N 524.596 5.883 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865703987 KDECFLMATQRGQU-NDEPHWFRSA-N 562.029 6.393 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1 1865704657 BDECVWHYSCITFY-XMMPIXPASA-N 544.533 6.004 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704805 FDROFBDGSQKZII-VWLOTQADSA-N 512.997 6.207 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704823 FNGZQQPJDDCUFQ-SANMLTNESA-N 541.007 5.593 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1865713990 AIMSHIMLVKHNDJ-INIZCTEOSA-N 509.713 5.584 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](C)c2ccc(Cl)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866716792 UNXSVLIOOYLTEN-HFJWLAOPSA-N 536.053 5.698 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1sccc1I 1899884222 RDXRQPYBCVLKNM-KRWDZBQOSA-N 564.080 7.179 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924599576 JLFUKVAJLXDRLD-MRVPVSSYSA-N 604.728 7.561 50 10 KKGE Fc1ccc2cc([C@H](Br)c3c(Br)sc(Br)c3Br)sc2c1 1924602500 YCZMKCNLFBRTFN-JTQLQIEISA-N 563.931 7.874 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@@H](O)CBr)c1I 1951626276 VKCCIBAYGIGEAO-QMMMGPOBSA-N 693.883 5.276 50 10 KKGE CCOc1c(Br)cc(Br)cc1C[C@@H](CBr)NC(=O)OC(C)(C)C 1984039346 ICIQBULLYHCTMG-LBPRGKRZSA-N 516.068 5.441 50 10 KKGE CCCOC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 2001716979 BUHYLVQVVYEBFC-MRVPVSSYSA-N 511.899 6.431 50 10 KKGE CN([C@@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)c1cccc2ccccc12)[S@@](=O)C(C)(C)C 2080770627 JJQYEZQPZNFFOF-CGROZPHXSA-N 667.855 9.513 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 2137048219 GJNPNUXFCDMWKP-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE CC[C@@]12CC[C@@]([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2137169350 HUWODYZJOYDDIP-ICCXJUOJSA-N 537.937 6.821 50 10 KKGE CCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2141467822 CPPSZOZNURNMKQ-HKSSTPRTSA-N 539.331 6.405 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141468549 LCHWCFLXAUUMIC-NSHDSACASA-N 580.709 7.360 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2142277685 SSOHHGGTMAXSCB-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE BrCC(CBr)(Cc1c(Br)cccc1Br)c1ccccc1 2150502866 FSGOGUXPBRIROS-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CC1(C)COc2c([C@H](Br)c3cscc3OCc3ccccc3)cc(Br)cc21 2156307233 VMRPUFNMEIWSNV-FQEVSTJZSA-N 508.275 7.244 50 10 KKGE FC1(F)CC12CC([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206397127 FIQPCPCFMBHGIR-RVUVVNSJSA-N 558.280 7.452 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 2206398894 ZZQCBRKPMXNMKA-XKNYDFJKSA-N 594.805 7.999 50 10 KKGE Clc1cc(CC(CBr)(CBr)C2CCCCC2)ccc1I 2208035801 HTUAIZTVBJVHOH-UHFFFAOYSA-N 534.501 6.844 50 10 KKGE C[P@]1(=O)C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2212199725 FUPIIHVOVSFJNB-LYYLLCSYSA-N 515.827 5.889 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2225617953 WXMRYGJWRAZXMI-ZDUSSCGKSA-N 583.258 7.046 50 10 KKGE CCc1nc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)c(Br)s1 2232531197 YVRDDBLCBQBHPJ-LLVKDONJSA-N 502.497 6.985 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(C)ccc2I)cc1Br 2241003052 YNYFECJMPXTVIE-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE C=CC[C@]1(CBr)CCCN(c2ncc(I)cc2Br)C1 2272107711 GBRYGKJTYPFNMH-CQSZACIVSA-N 500.016 5.006 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277966320 RRQWZCUEPPGMFW-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)c(C)c1F 2279145690 AXTSOCFVQIUZHZ-CQSZACIVSA-N 576.867 7.056 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)cccc1Br 2288479819 ATYUZPHJDZPIIQ-GFCCVEGCSA-N 554.248 7.343 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295333367 JKTVKZNZJZTBDL-ZDUSSCGKSA-N 529.867 7.100 50 10 KKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 2295934315 AAWUNMGIOIQVKS-UHFFFAOYSA-N 592.073 6.714 50 10 KKGE Cc1cc([C@@H](Cl)c2sc(Cl)cc2I)ccc1I 2300953396 IZJFWAJKMIFMPS-LLVKDONJSA-N 508.977 6.247 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(C)cc1 2313518227 WZJWDMPEKKFKCW-UHFFFAOYSA-N 566.439 6.740 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1F 2313570710 DNSNOYKBYGTBMA-UHFFFAOYSA-N 564.238 7.418 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314591963 IQSDTCCOWHSXNV-SANMLTNESA-N 550.511 7.490 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593815 UAXFMBWWFJSJFB-SIBVEZHUSA-N 516.066 6.206 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c1 2314610820 MROJRZYNDLZIKE-NRFANRHFSA-N 508.622 6.109 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634743 FAULJAWSNWFJJA-HHHXNRCGSA-N 519.384 6.395 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 2331239076 NEMLONQLEFMELT-XMMPIXPASA-N 511.628 6.174 50 10 KKGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccs4)cs3)cc2C1=O 2331326770 POBQVEJEGZKQPA-UHFFFAOYSA-N 511.628 6.747 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)CC1=O 2331385595 SPVKUWLOYWFKSC-IBGZPJMESA-N 503.624 5.798 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Cl)c(C(C)(C)C)c1 14661751 VMXDUAICECBVFV-UHFFFAOYSA-N 525.871 5.303 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 33670428 SRDFADIMTWNWCT-PGMHBOJBSA-N 509.631 6.352 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)ccc1Cl 38679864 YMKGIMYNDVBYGT-HSZRJFAPSA-N 515.780 6.158 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C3CCC(CCCC)CC3)ccc21 38700835 ITJNMVQSFJUDSF-NRVWMRPUSA-N 502.655 6.986 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 40530140 VVPKMBZMMILMST-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812949 FXJFFHTWZHNZRP-NDZAJKAJSA-N 517.383 5.621 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 40851034 UIPKJGGZRSSOIF-OGDGDXASSA-N 514.965 5.639 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 40878669 UXZLCKSFMUGGRW-KGENOOAVSA-N 502.567 5.102 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100061871 ATSZWLPKWDUWLO-VULFUBBASA-N 533.264 5.740 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 100237294 VPHCMFMMFDTCST-KVUWKNAUSA-N 541.988 5.198 50 10 KKGE COc1cc(/C=N/NC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1Br 100869574 MDSVYLMKRJLIBE-OKCVXOCRSA-N 617.294 5.100 50 10 KKGE Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)o2)c([N+](=O)[O-])c1 101034127 OYMBVSUGRZTVBC-MHWRWJLKSA-N 560.385 7.220 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 101036775 YQGSMGVCDAIVNW-VWLOTQADSA-N 571.514 8.635 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245238 CMYKVORSOLYPMG-RAMZYJDASA-N 551.590 6.478 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101295922 GQDKLIHKPYHBIM-SANMLTNESA-N 557.400 6.506 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)c1 101376272 JVQSWAYFUNVVSY-NDEPHWFRSA-N 529.549 5.366 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1 101377654 KSSAFROVUNZZCE-MUUNZHRXSA-N 517.025 7.127 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380512 QENGHIDSXZNWBT-XIFFEERXSA-N 564.613 6.731 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc(OC)c1OC 101380777 FCECSVKXFHZGGM-PMERELPUSA-N 582.584 5.868 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101381038 RPEAVEGZHZCSDI-HKBQPEDESA-N 536.559 5.780 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc(C)c1Cl 101384372 MLYJREQOCHWQJI-HKBQPEDESA-N 585.031 6.878 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385069 QIODUMLTGVDDTE-SSEXGKCCSA-N 557.433 6.939 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385496 HTUXBXLJKABXMV-XIFFEERXSA-N 562.622 5.958 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101389514 RYSZUOFAQGGCKL-QTYPKTMWSA-N 598.602 6.534 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 101390841 MUEZYDFXPJQMTC-MHZLTWQESA-N 528.992 7.011 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101393091 ILWFWFKZQSCTIP-LJAQVGFWSA-N 573.045 7.328 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)oc2ccc(Cl)cc12 101396412 FOUZUCKXVNVBIW-MUUNZHRXSA-N 543.019 7.257 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405909 LQUNLPPNHYDQQE-QTMOJHABSA-N 620.756 5.568 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC4)ccc21 101606904 OGWVLUDVVKQYIL-YQCHCMBFSA-N 563.614 6.276 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 102035434 GJRWLCWLZKKYKY-PCFYVVMJSA-N 553.062 5.906 50 10 KKGE COc1ccc(Br)cc1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103741542 ZPNCIQUOBRQSDR-MUDSWDHVSA-N 551.504 6.967 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)c1 103797185 TWVHLXILSDYANB-ZSNJKBEMSA-N 612.955 8.520 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 104951924 MPKVDYNDLZOJSR-WQRHYEAKSA-N 536.426 6.525 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463251 FXWDFZQUKOKKDL-XIFFEERXSA-N 655.534 8.690 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 205651021 LFRRHRCVYCSHSS-JJTYUNECSA-N 566.698 7.255 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214435006 ZILWUSVPIRRORM-GTWSWNCMSA-N 634.664 5.429 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1 232483187 SVWCNUDCTWZZCX-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE COc1ccc2nc(Cl)c(C=NNC(=O)COc3c(Cl)cc(Cl)cc3-c3cnn(-c4ccccc4)c3)cc2c1 252638763 YGDWQUAJPZHSAO-UHFFFAOYSA-N 580.859 6.585 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C)s3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254594681 TVMNHJQQCQJYCT-UHFFFAOYSA-N 503.697 6.153 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254762774 LZSUDMPUMVBSTN-DTKIUWMFSA-N 515.639 5.741 50 10 KKGE CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C\CCCCCCCC 256109239 LIBNDJOBAGMROQ-AELFOWGFSA-N 637.430 12.531 50 10 KKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2cc(I)ccc2Br)C1 693890274 HJUANBUAQQBPAH-MWLCHTKSSA-N 515.027 5.126 50 10 KKGE Brc1cc([C@@H](Br)c2cccc3ccccc23)ccc1I 721573297 QTUKNMVHHSBVLM-QGZVFWFLSA-N 501.987 6.691 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc3ncn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)c32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 888084786 UDVSLNPMAIZCSA-HYUUEHCLSA-N 776.125 8.704 50 10 KKGE COc1ccc2cc([C@H](C)C(=O)NN=Cc3c(SC)sc(SC)c3C=NNC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 1083921064 MEUVMYLFGUPQHN-SZPZYZBQSA-N 684.909 8.023 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)cc1 1083981533 PHLSYJZAIFLWIW-KUMOORNYSA-N 548.437 5.816 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1083999075 BRBNFSRSEHLSPK-IBGZPJMESA-N 672.549 5.492 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)cc1 1084115109 XXIVXZUJAIUFQX-UHFFFAOYSA-N 610.711 6.401 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084222440 WSQLELKMRIPTRW-JOCHJYFZSA-N 570.698 6.952 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl 1084332952 XDFGTRCYEKWCKL-LICLKQGHSA-N 532.221 6.889 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 1084506164 ZBMJKCZKEDPGLE-QFIPXVFZSA-N 664.409 5.271 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1C 1084562644 ADJHWQYMMAPRCC-UHFFFAOYSA-N 560.561 7.671 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cncc(Br)c3)CCC4)ccc21 1772747974 UGBQFKLCDZXDIQ-UHFFFAOYSA-N 584.474 6.596 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865691508 UKUCGLBBQCPKPY-GDLZYMKVSA-N 552.650 6.923 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865693891 RNAFHGCDVNGPJD-SSEXGKCCSA-N 548.687 7.011 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865694225 WBCFHEOXDDMZNO-OAQYLSRUSA-N 512.532 5.583 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698066 JKBQVGIRVWCFPH-NRFANRHFSA-N 543.849 5.865 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)c(OCC)c1 1865703660 YKAZEOWIAMJENE-GDLZYMKVSA-N 550.659 6.473 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703766 FIXAGZHTRFYLCB-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714375 IOXMHZGWTCDNSE-QHCPKHFHSA-N 530.968 5.142 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 1866938190 BWDLHKFJBXJSHD-GVAUOCQISA-N 505.640 5.559 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)c1 1868301100 KQQMBTNBTCGSHA-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](Oc4ccccc4)C3)n2)cc1 1868544883 MTJCGYSKBJPPED-HHHXNRCGSA-N 535.717 7.806 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 1872749879 LMJURZHQUFFAQR-FXEAUDGPSA-N 505.599 6.127 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750540 GSKDIOXRPKYXOM-IIPXAIGGSA-N 501.608 5.740 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OCC)c1 1872755630 XGOVLXJAYPNKBW-KZTWWEKUSA-N 503.624 6.010 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 1872758302 UNOZBOVPRRWUBE-OKPNVDCHSA-N 501.652 6.624 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)N/N=C/c2cccc3[nH]ccc23)cc1 1873497170 MGPJUYUSHJEJDK-SRLBMSEASA-N 510.638 6.585 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940693 CSYABNZOQYOACU-MNDPQUGUSA-N 520.792 6.786 50 10 KKGE C[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H](C)O1 1924614785 RBAASUMLMDJJDP-SZACMFPPSA-N 525.926 6.675 50 10 KKGE Brc1cccnc1C[C@@H](Br)c1scc(Br)c1Br 1924865848 OHLYUQRQLGVFEK-SSDOTTSWSA-N 504.867 6.109 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 2003557571 HQDHEDAQORZPJD-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(I)sn2)c1Br 2024281368 DRKJBUZVXCNVLU-NSHDSACASA-N 507.416 5.909 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)Cc1ccccc1I 2030214370 XMBMVXOICGMKEM-NSHDSACASA-N 500.037 6.356 50 10 KKGE Cl[C@H](c1ccsc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492463 LVJJFUNTGKSHNP-SNVBAGLBSA-N 603.193 7.889 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2085499891 KWVWSNZIOIQSCK-WPOIXZHQSA-N 569.755 6.171 50 10 KKGE CCCC[C@H](C)CC[C@@H](Br)c1c(Br)sc(Br)c1Br 2086056522 IPFGCSDCUPECPN-DTWKUNHWSA-N 525.970 8.078 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1Br)c1ccc(Br)cc1 2092336621 ZRGQDFAZJVRIEP-GFCCVEGCSA-N 511.877 6.695 50 10 KKGE CO[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471006 MZLMTZPRBORBSG-AMXGMDGSSA-N 584.766 6.988 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)c(C)cc1Br 2142287266 CHVAAKOERPAXPT-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE Clc1cc(I)c(Oc2c(CBr)ccc(Br)c2Cl)c(I)c1 2154375312 GIVVWALLJGMZBK-UHFFFAOYSA-N 662.712 7.652 50 10 KKGE CC1(C)C[C@@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206394357 GWAUTYAPPLEMOD-SFYZADRCSA-N 598.793 7.378 50 10 KKGE CC[C@H](CC(F)(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395888 QUXWFWIPIPGSBC-BLTYZCFWSA-N 566.275 7.995 50 10 KKGE CS(=O)(=O)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206397590 LBEHOKAORWHZPF-LLVKDONJSA-N 574.354 5.984 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398925 AHUBCVKLHSPZOU-PELKAZGASA-N 618.805 6.140 50 10 KKGE CC(C)(C)OC1CC(C[C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2232948363 ANISINHTZJRYHU-HACHORDNSA-N 509.529 7.346 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2C)cc1I 2257369128 LPGJHQQXFMBCMA-ZDUSSCGKSA-N 502.009 5.917 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC(Br)=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293713048 MPXYPZNBRLABOI-UHFFFAOYSA-N 604.574 6.871 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295459779 XIDFGKOKAOTFJW-UHFFFAOYSA-N 570.192 7.899 50 10 KKGE COc1ccc(-c2nn(Cc3c(Cl)cccc3Cl)cc2C=C(C#N)C(=O)NCc2cccnc2)cc1OC 2295692895 FVCGCOISWMXBHY-UHFFFAOYSA-N 548.430 5.541 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 2296645872 RNLDPHTZAJVDRT-UHFFFAOYSA-N 546.671 6.033 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(OC)c1OC 2297710158 ANTKAHJXLHJDKM-UHFFFAOYSA-N 781.410 6.107 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(Br)c(Cl)c2)s1 2300954444 XRZAUWXHXAHETI-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2cccc(Br)c2Br)s1 2300955804 QMHUBYRWRDEWHS-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313557155 VNWMOKLEOXHBHM-UHFFFAOYSA-N 575.419 5.692 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 2313571394 VHFSJVLGKRGARP-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)o2)c([N+](=O)[O-])c1 2314489663 UTMYODAOPYNVJL-UHFFFAOYSA-N 515.934 7.111 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=CNc1c(Br)cc([N+](=O)[O-])cc1Br 2314585846 XJAIONCONXPKPP-CYBMUJFWSA-N 560.202 5.386 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593138 HZLABPFQGLRZFV-RXFWQSSRSA-N 560.517 6.370 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314610889 NXSJUBPSGSNJCK-UHFFFAOYSA-N 577.084 7.164 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1Cl 2314619985 ISOHFGQKJJDESJ-UHFFFAOYSA-N 611.529 7.817 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634772 JIWQOZXCTWBMDY-LJAQVGFWSA-N 549.454 7.399 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643245 KYIVPVQMLHQRKU-XIFFEERXSA-N 579.052 7.155 50 10 KKGE CCCc1ccc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 2314770724 VMKYVPWSMQZIBE-UHFFFAOYSA-N 523.383 5.202 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)C2(Br)CCC2)c1Br 2317404870 WENNLRMUIQFHLU-LBPRGKRZSA-N 505.870 6.282 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)nc(O)c2cc1OC 2331044404 CXXNZYAVRZRPDE-UHFFFAOYSA-N 552.370 5.951 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331241579 ZZMNOHLGDWEWDX-UHFFFAOYSA-N 507.571 6.028 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc(OC)c(OC)c(OC)c3)n2)cc1OCCC 2331293336 YBWVLMYKYWAAMD-UHFFFAOYSA-N 510.612 6.363 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360480930 GPWDKQJHDMMYQN-JTQLQIEISA-N 509.826 6.358 50 10 KKGE COc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 2364188519 NZHMBAAQIFMDJB-VIFPVBQESA-N 568.350 7.376 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1790160 VBTKEAZJMGCWOW-KVHSSYOWSA-N 591.289 6.960 50 10 KKGE CCCC(=O)OCC(=O)[C@@]1(OC(=O)CCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 4213734 HUXCOHMTWUSXGY-GAPIFECDSA-N 567.550 6.114 50 10 KKGE biogenic,in-man COc1ccc(C=NNC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1COc1c(C)cccc1C 8399499 YGZHSYWQRAERJE-UHFFFAOYSA-N 524.617 6.316 50 10 KKGE CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CCC(=O)Nc1ccc(I)cc1C 27498037 CFCKFXPSKVLLEA-XHDRYZQBSA-N 517.411 5.647 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)sc2c1CCN(Cc1ccccc1)C2 33626920 CMKBORJSQWUQFA-ZHZULCJRSA-N 506.027 5.682 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38649401 XYBRBWJNCSOCCQ-AREMUKBSSA-N 519.395 5.775 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38649676 UCJFMZFOJPAFSF-HKBQPEDESA-N 500.598 6.766 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)cc1OC 38657200 XIIIFIRNXPPUKV-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc21 38660693 NJSNHSHHTDAIND-QFIPXVFZSA-N 511.759 5.548 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 38683954 BNXSHSKWYUZPTN-MUUNZHRXSA-N 518.997 5.894 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 38701205 SPWFTYIDSHCYDJ-HSZRJFAPSA-N 511.361 5.838 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39858653 DBEFGRZLUYFTLT-RGEXLXHISA-N 518.495 5.922 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 40927377 ZTCGXGPGXICAQV-OQKWZONESA-N 518.635 6.633 50 10 KKGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59335957 RDAAMUXQFZEGSG-YHYXMXQVSA-N 504.993 6.073 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)c4ccccc4O)c3C)sc3c2CCCC3)cc1 59678951 JAJGVDPZYFIPPY-KBVAKVRCSA-N 526.662 6.065 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Br)cc1 100141810 PUFASCBMZOUJLS-PLIDZJGOSA-N 560.286 6.063 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100190970 MAAIXVDZYPPQOO-UHFFFAOYSA-N 570.509 5.402 50 10 KKGE CCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100225177 RCRLYICKTSUMQA-UHFFFAOYSA-N 578.301 5.658 50 10 KKGE COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC 100869918 DQJPTIINCPDDIU-OKCVXOCRSA-N 561.418 5.548 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)sc2c1CCCC2 101033224 FKGSKEWFFRUTBS-CAPFRKAQSA-N 557.075 6.855 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 101334757 CURRZSQFXXPMGR-BGEOKWEGSA-N 597.741 5.208 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101336663 SPZYNCHCODYFPA-JVWAILMASA-N 532.600 6.020 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101339015 GALOBLVRWMYNKP-RDRPBHBLSA-N 534.660 6.560 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379335 YUUINDPGZHKGTD-MGBGTMOVSA-N 581.068 7.245 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379823 DDRJLPWUHWZZBD-HKBQPEDESA-N 567.041 7.144 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 101382369 KIVGGRZPXOIRGF-XIFFEERXSA-N 560.650 7.190 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385851 JOGPUXBNQMZYTN-XIFFEERXSA-N 597.067 6.747 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386745 YLHDXTULODMQFA-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387052 ZJCNQQPPWQQQPH-HKBQPEDESA-N 621.448 6.923 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c(OC)c1 101392178 DSBJLTZJDIWNLE-HSZRJFAPSA-N 553.423 6.663 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c(OC)c1 101392212 JFSZHJDKPLIMIX-QHCPKHFHSA-N 527.360 5.457 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 101397176 YJNWGUDUUCGMTN-LOYHVIPDSA-N 540.616 5.999 50 10 KKGE Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1Oc1ccc(Br)c2cccnc12 101570119 QYPOHQODBFPCCX-UHFFFAOYSA-N 520.174 5.226 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl 102007300 YICZVPYBMQTKNW-IPBVOBEMSA-N 594.318 6.462 50 10 KKGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102924328 ITCDUFMBYYYDHE-NTCAYCPXSA-N 612.512 5.913 50 10 KKGE COc1cccc(N/C(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)=C(/C#N)c2nc3ccccc3s2)c1 102930967 UTJZVUQTADTNMU-ZGXBEWPRSA-N 553.694 6.864 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)sc2c1CCCC2 102935343 JXHFOMUBWYVIMS-XBEYGGDISA-N 578.134 6.309 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccncc4)cc3[N+](=O)[O-])sc2c1 103806422 NQGOGZITIAOCMF-OKCVXOCRSA-N 568.640 6.075 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2cc(Br)ccc2o1 103877177 QASQYJIBCFYHCG-LUOAPIJWSA-N 607.642 6.862 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Br)c1OC(=O)c1ccc(OC)cc1 110396894 YCPHLJVQHAGXHV-PDGQHHTCSA-N 535.419 6.749 50 10 KKGE Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C\NNC(=O)c1ccncc1)C(=O)C(O)=C3C(C)C)/C(=C/NNC(=O)c1ccncc1)C(=O)C(O)=C2C(C)C 150649252 RXHCVUPWXGJPSU-HJVIKEODSA-N 756.816 5.738 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206685173 DHBVLEKAAFQXHP-KZOXRWGYSA-N 572.658 6.488 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 214291070 RMHMGDUMLTUQEC-UQQQWYQISA-N 512.635 5.280 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Cl)c1cc(Br)sc1Br 235023075 YNGPBAUYXPPPIE-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(I)c1 236263354 KCOMHIJFJPRXAJ-JTQLQIEISA-N 510.391 6.345 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccncc4)cc3)c3ccccc3n2)cc1 252588981 AGLHTXKYSHRMEU-UHFFFAOYSA-N 513.601 6.266 50 10 KKGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)Oc2ccccc2)cc1)c1ccc(C(=O)Oc2ccccc2)cc1 253576148 VLZLIBBOSRTLDE-UHFFFAOYSA-N 582.845 7.226 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CNc1cccc2ccccc12 253576707 WDVKDJXODNVIIJ-HWLOXFRGSA-N 562.762 7.368 50 10 KKGE COc1ccc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)c2)cc1 254308477 ITRLRNZOBMDUIC-UHFFFAOYSA-N 510.546 5.023 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 254386362 RYGBTBAZCTXERG-YCWXJVGVSA-N 514.576 7.882 50 10 KKGE CCCCOc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 254583767 UWHYTVXJNFBQEH-UHFFFAOYSA-N 504.583 5.646 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2C=NNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1OC 254714394 WQAKCOVHFDVUQV-UHFFFAOYSA-N 664.228 5.745 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 254821812 KKXASNZOGLSIRY-UHFFFAOYSA-N 524.584 5.922 50 10 KKGE Cc1ccccc1COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccccc2)s1 256028570 VRMYTQXGUCNQSV-UHFFFAOYSA-N 553.507 6.097 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 256825139 QNPRMZLAAWKAPQ-FQBWDSEVSA-N 787.990 7.753 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@H]23)N(C)C1 504779006 QPYJMHIDEUSFNK-SZSBPNDASA-N 807.813 7.094 50 10 KKGE in-vitro Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cc(Br)c(C)o3)cc2)c2cccc(Cl)c2)cc1 1083909591 JXIRKLSQWUKTLX-UHFFFAOYSA-N 600.922 6.472 50 10 KKGE COC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1083917513 WLUICJHBORXTTR-UHFFFAOYSA-N 625.317 6.293 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 1083930217 DGURHBORBBXBNS-UHFFFAOYSA-N 579.520 5.587 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2cccc(Cl)c2)cc1 1083946053 BEGWMHLNUURLHK-UHFFFAOYSA-N 603.066 6.420 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 1084033312 BSQYOTHRNZUQIA-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 1084047147 AIIZQOISAGMTJU-SZDIMRPLSA-N 507.388 5.783 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084082580 ZLFXMUDKMXPAIN-UHFFFAOYSA-N 669.613 5.737 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 1084093022 IWULOCACPZYDJZ-HKBQPEDESA-N 604.545 6.798 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(C)cc(C)c2)cc1OC 1084156966 VZRUAAOVPNXOAS-UHFFFAOYSA-N 653.599 5.836 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084232500 UEYZHCWNYRWRHS-WLRTZDKTSA-N 627.047 5.777 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084416652 WAHAYAHWKTZPRF-XQNSMLJCSA-N 547.011 5.482 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N 1084475792 WPIJIBMLAPJAPC-GIJQJNRQSA-N 557.231 6.761 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2OC)ccc1OCc1c(Cl)cccc1Cl 1084596555 BKPHGZGMHCOEOX-UHFFFAOYSA-N 516.381 5.069 50 10 KKGE C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@H]1[C@H]2C[C@H](O)[C@@]2(C)[C@@H]1CC[C@]2(C)CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1615950331 UVXRBEYIDJOLOR-CYKQOMMMSA-N 581.581 5.281 50 10 KKGE C=CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718462 BKUPEHCWBMXHKC-FLHDMAHXSA-N 541.800 5.124 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc([N+](=O)[O-])c2)CCC3)c(Br)c1 1772745955 MDRQPTDWPHEPBV-UHFFFAOYSA-N 525.359 5.290 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695521 DMILPQHHINFDHY-QHCPKHFHSA-N 575.419 5.251 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865696566 HUOPTTYABSOBPH-GOSISDBHSA-N 567.337 5.477 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698315 PWZOGQSVSOOALE-VWLOTQADSA-N 565.512 6.277 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703967 JQYLBLWWRHGFBL-SANMLTNESA-N 500.961 5.830 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704043 LHPARYSXHMKDNW-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714047 BGQKDMIDOLSHHN-QFIPXVFZSA-N 578.264 6.291 50 10 KKGE CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(SC#N)cc1 1866811593 QCWJNXXPPYSDAY-QHCPKHFHSA-N 515.701 5.035 50 10 KKGE CSCC[C@@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046544 QAFKROLPRWLPFF-YADHBBJMSA-N 567.762 5.190 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867070552 XITZASGCMZITKP-DEOSSOPVSA-N 546.649 5.527 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc(Oc5ccccc5)cc4)CC3)nc(-c3ccccc3)n2)cc1 1868365340 OTBWIZAMJRQZNS-UHFFFAOYSA-N 556.695 7.579 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)C[C@H]2c2cc(Cl)ccc21 1868365764 XBBAOVPSSSJRGC-SANMLTNESA-N 567.118 6.795 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)cc1OC 1872791964 ZNJCIGOPZLQZIL-PXLXIMEGSA-N 519.667 6.227 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2scc(Br)c2Br)s1 1900923721 DXALQWDOQGBDHU-SSDOTTSWSA-N 577.326 7.077 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1916352637 BMDSHXJNZKQNRM-OAHLLOKOSA-N 509.160 5.520 50 10 KKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583267 IADPXXLKTPVJRG-JKMUOGBPSA-N 511.899 6.144 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925600973 UHFPSBYGBCXTTR-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1c(Br)cccc1Br 1945322801 NZWABSHOXQIFHX-JTQLQIEISA-N 524.297 7.126 50 10 KKGE CO[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780233 QFDVUAUUZAADHM-QNKWNIQHSA-N 512.261 6.051 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1csc(I)c1 2029251845 MWPCPZISRZNTQZ-CYBMUJFWSA-N 502.009 5.917 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2[C@H]3CCCCC[C@H]23)c1Br 2048338450 VHWWRKZLKBLGMR-MHYGZLNHSA-N 521.938 7.298 50 10 KKGE COc1cccc(NC(SCC(=O)Nc2ccc(Br)c(C)c2)=C(C#N)c2nc3ccccc3s2)c1 2053623272 OZLYGMWFMBIJRW-UHFFFAOYSA-N 565.518 7.052 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12 2053623302 QHTVPTRMXWNGDN-UHFFFAOYSA-N 619.415 6.876 50 10 KKGE CC(C)c1cc(C(C)C)c([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)c(C(C)C)c1 2080760007 HVYVKRIMWAYKQQ-SEAIMCLSSA-N 611.876 9.298 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1cccc(Br)c1Br 2083337796 KNSKUUBEICFRRX-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@@H]2CCO[C@@H]21 2085493306 AKSJBKVAIFXUJK-AYIQHRPESA-N 524.272 6.051 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2ccc(Br)cc2I)c1 2086150179 XQANZGBJUWGGKN-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE Cl[C@H](CC[C@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2141469987 YDSGKZSNIZEUPR-OIBJUYFYSA-N 540.315 6.833 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3csc(Br)c3Br)c2O1 2150345470 NDCAOZDMUOUBCR-KSBSHMNSSA-N 545.916 6.843 50 10 KKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2179827704 IDDHSGVSSYWRMH-UHFFFAOYSA-N 519.299 5.268 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1F 2206397147 FTZBIULWLAHCRM-GFCCVEGCSA-N 594.736 7.668 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2225614898 AOAWQQROQRKMHI-CYBMUJFWSA-N 580.709 7.360 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225634270 OCGHFWABQXDUPS-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225635310 UNVHFCWYVATASC-CQSZACIVSA-N 515.840 6.906 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1C 2236015593 HKNOWFMSVNXWIE-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Clc1cc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)ccc1I 2277962807 LYVCRWSBXDNJCK-LBPRGKRZSA-N 534.844 6.992 50 10 KKGE CC(C)(C)[Si](OCCCCCCCCCC=C(F)C(=O)N[C@H]1C[C@@H]1NC(=O)C(F)=CCCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1 2294819191 YCNBWNBYXDAZRZ-XFSNFYKNSA-N 977.483 12.461 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1sc(C)cc1Br 2295361878 FPAVCLBBMCUOSP-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1 2295459585 AZOFXKBWFBABBM-UHFFFAOYSA-N 565.376 5.319 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cc(OCC)c(OC(C)C)cc2Br)s1 2295669926 MHQAROBZMOBMQH-UHFFFAOYSA-N 535.460 5.981 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 2295937251 DMKXETZSLMTCCR-UHFFFAOYSA-N 610.917 7.459 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NCCCn1ccnc1 2296546027 IEIBZAOVSMEPMY-UHFFFAOYSA-N 563.061 6.082 50 10 KKGE N#CC(=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 2297506316 ZXRUPYXPCBTORB-UHFFFAOYSA-N 528.362 6.635 50 10 KKGE Cc1cc(=NNC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)oc2cc3c(cc12)CCC1(CCCCC1)O3 2297660604 XHOPPIZNZLDSAJ-HZCBDIJESA-N 537.701 6.032 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521581 XSBBHHOBPWYDFC-UHFFFAOYSA-N 574.302 7.896 50 10 KKGE C=CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397363 FFABXJJLIRRKCS-UHFFFAOYSA-N 531.248 5.869 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314448233 GGJDXXUEGBEAHG-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 2314482417 KQUFROUBPVNIKH-UHFFFAOYSA-N 515.418 6.916 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314486970 FWZGELIOYCWZFA-UHFFFAOYSA-N 524.907 7.913 50 10 KKGE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 2314489158 OVGIWDXZWJQHFG-UHFFFAOYSA-N 609.239 6.440 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2314533352 QLFLDGBFTZHXCG-UHFFFAOYSA-N 555.310 5.814 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591759 DDNPXFMAPFAQFH-VWLOTQADSA-N 501.583 5.598 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314611469 UWGIXYVVOMKMAC-RUZDIDTESA-N 592.699 7.662 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 2314616929 MZRHBQQHSWRYED-UHFFFAOYSA-N 544.611 5.657 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1OCc1ccccc1 2317422195 HRBNQQQCKIMWFH-KRWDZBQOSA-N 549.097 7.784 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCC(=O)N(CC)CC 2331416711 MOFDQERINSYLFE-UHFFFAOYSA-N 515.679 6.399 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccccc1OCc1ccccc1 2335371949 QWNKBPBZFXISLB-GOSISDBHSA-N 519.035 7.958 50 10 KKGE CS(=O)(=O)c1cscc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336077846 LOCHEVSGYSFLTQ-LJQANCHMSA-N 516.276 5.977 50 10 KKGE FC1(F)C2(CCC2)[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2349865631 SONMGJVGEUIULG-ZDUSSCGKSA-N 505.966 5.797 50 10 KKGE Cc1ccc([C@@H](CI)OCc2c(Br)cccc2Br)cc1 2366145584 UYXIXPONXAOJNC-MRXNPFEDSA-N 510.007 6.213 50 10 KKGE COC(C)(C)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2369701395 TWIIRWFGIWPOBA-GFCCVEGCSA-N 598.793 7.378 50 10 KKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 1767481 BFEYAGMUGFPWQN-SXGWCWSVSA-N 525.373 6.755 50 10 KKGE N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)/C(C#N)=C/c3ccccc3)cc2)cc1 3287514 KLGODQMLEBFPKB-IABPKXMJSA-N 508.581 6.369 50 10 KKGE COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1Br 20247743 LTOBETUJTUSJKF-LGJNPRDNSA-N 509.828 5.697 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655384 CCPGYZRBSRDIQF-RUZDIDTESA-N 509.389 6.610 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)oc2c1C 38700576 MURIWFZCRGELHB-HSZRJFAPSA-N 519.384 7.102 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701242 HPVKOFDXXQXLDB-MHZLTWQESA-N 508.530 5.409 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 39858757 IZWGDZNMCGEPOM-JXAWBTAJSA-N 500.942 5.311 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)c(C)c2c1 40530266 CVHNHQNXHOVWBZ-NDEPHWFRSA-N 506.602 7.039 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812220 ISGUQYUXSOSJIG-WPWMEQJKSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccc([N+](=O)[O-])cc1)CCC2 40814782 DTOAALHFNCMRSI-OVVQPSECSA-N 516.341 5.030 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 58891458 IEXANRUHQVMHQU-QGFINPQDSA-N 517.025 6.435 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 59464383 DXCXPBIHTBDCLH-KBVAKVRCSA-N 518.400 6.589 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243809 SEOKCMASAUMCAE-IIXITYHRSA-N 511.647 5.697 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O 101335902 MBZXWVDBHYWSRJ-LFVJCYFKSA-N 500.986 5.212 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 101372075 MRPKAWDDWIAZQW-SSEXGKCCSA-N 546.595 5.996 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(F)cc5)ccc43)cc2)cc1 101378742 MNMUEFCIHANPKI-JCOAXYOVSA-N 550.586 6.304 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383627 QSGCKBOBNQGCSO-PMERELPUSA-N 601.428 6.370 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101385303 JQHFSQSAUCKSFR-SSEXGKCCSA-N 563.566 5.928 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101385995 BVKYDHWKNSWYPS-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387873 HCIWNHPOHBWCKG-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(Cl)c1 101391101 IUPBGLGBCLQQLX-FQEVSTJZSA-N 562.261 7.952 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101398596 QCMAMUABBKBYKT-MUUNZHRXSA-N 583.040 7.710 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399044 JKJRPEYPMUMEPG-JGCGQSQUSA-N 607.062 7.728 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 101609809 IKHRASSNEFJRIS-JGRMKTMXSA-N 537.616 5.846 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 101710498 RDAYXGPBXKJLFT-HZHRSRAPSA-N 604.444 6.976 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 101713120 VELJWCBBXFMWOY-MZJWZYIUSA-N 562.258 5.815 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1Cl 101766273 PQTAYDDTXICTRW-FJEPWZHXSA-N 559.888 6.517 50 10 KKGE CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(SC#N)c1C 103925973 KHDLMUIMHAQKRV-UHFFFAOYSA-N 536.056 5.513 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 128194672 SPVMVDMEGUDNSG-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(F)cc2Br)cc1Br 128737392 QPFXGJVOHBLILZ-CQSZACIVSA-N 515.840 6.906 50 10 KKGE COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)ccc1OCc1ccc(Cl)cc1Cl 163623404 ZUIAMCWKHHJKDJ-XKJRVUDJSA-N 660.452 5.194 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(Br)nc3c(OCc4ccccc4)nc(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C 197965338 CGFIUJHZJRBUOX-BHDDXSALSA-N 664.794 7.450 50 10 KKGE in-vitro COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 205667634 NLSMFVQUUHYMNN-ZLONXLDTSA-N 558.634 6.728 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 205782221 RKKHEMVLNFTAFX-ACWBYSHRSA-N 696.785 6.044 50 10 KKGE Brc1cc([C@H](Br)c2ccc(Br)c3ccccc23)c(Br)s1 232482267 RVMHMNAFOKJIQB-CQSZACIVSA-N 539.912 7.673 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(S(=O)(=O)N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)cc3)ccc21 254303489 UESNQLGQILSVFC-QNLPTKCRSA-N 556.732 6.168 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1 254721479 NVUKKZWIFWODPN-UHFFFAOYSA-N 542.665 6.081 50 10 KKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)C(Cl)Cl)CC[C@@]34C)[C@@H]12 254770475 FFSDQBPIYFOSQY-FYSRYMDBSA-N 539.672 9.459 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(OC)cc3)ccc21 254835351 CLFNCPSBAPJCFV-UHFFFAOYSA-N 616.791 7.611 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Br)c(I)c1 312563098 KPKUEFVCZSGAHP-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)ccc2Cl)c1Br 312792044 HJNQDFDAJQKYBW-SECBINFHSA-N 513.398 7.430 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 616690443 MHXJUHJPOKOUKY-NDEPHWFRSA-N 507.772 6.587 50 10 KKGE c1ccc(P(c2ccccc2)c2c3ccccc3c(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1 642814378 XSTNHAPSXJAJDG-UHFFFAOYSA-N 528.591 9.318 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)s1 688146119 OBAGGLNPJLKRLM-GFCCVEGCSA-N 533.905 6.666 50 10 KKGE CC1(C)CC[C@H](CBr)N(C(=O)c2cc(Br)ccc2I)C1 701596151 OEMQXSWWUQCZAF-LLVKDONJSA-N 515.027 5.079 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1 721570833 BJRQHJKTDKQSHA-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE CC(=N/CCCP(c1ccccc1)c1ccccc1)/C(C)=N\CCCP(c1ccccc1)c1ccccc1 725387720 YBIQYOIZUIMNQU-YSVNBZGQSA-N 536.640 6.954 50 10 KKGE CC(=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1083964174 JVFGMVRFPCMCGH-AHPZMPFVSA-N 512.635 6.195 50 10 KKGE O=C(Cc1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl 1083985481 ZMHSVMIPPHGJMG-UHFFFAOYSA-N 506.183 5.668 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 1083987740 WIYYDMOQEKSNMU-UHFFFAOYSA-N 699.545 7.528 50 10 KKGE CN(C)c1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Br 1084005495 SCVJUOWAAOOHNP-UHFFFAOYSA-N 502.865 6.225 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2 1084274820 GSOCBLSFHPLNFQ-UHFFFAOYSA-N 521.440 6.179 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCC(=O)O 1084299579 VBLAIUDKWHTDQV-UHFFFAOYSA-N 576.447 5.841 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1)c1cccs1 1084416287 IPWWZOSGMPHHRN-UHFFFAOYSA-N 538.094 6.259 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 1084478585 PISXVRNJMNKNDD-UHFFFAOYSA-N 551.068 5.456 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084617479 JMYGGZOVBSAKED-UHFFFAOYSA-N 539.548 5.448 50 10 KKGE CN(C(=O)c1ccccc1Cl)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613985331 YXOUXZVYAPTBAS-RGSGVQHRSA-N 534.897 5.600 50 10 KKGE Cc1c(C(=O)NCc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750168 WBBLRQGDMHFCTL-UHFFFAOYSA-N 500.382 5.060 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772751801 ZBJDJLSFCBEAEW-UHFFFAOYSA-N 510.550 5.036 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)cc5C)c(C)c43)coc2c1 1772752052 SSFMWEMLOIQGJA-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 1772755252 XILJPLYPASGHEN-UHFFFAOYSA-N 508.068 6.593 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 1772760513 KFSFYAAIUHLZSS-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@H]2OC 1848355036 YGXDKYAIMAMUAT-BZYDMVQHSA-N 920.311 7.460 50 10 KKGE CC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665408 FYWPUSMWQOIDNY-YQRXUXLOSA-N 535.651 9.113 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865690753 ACJGHIKXXXCGLQ-SFHVURJKSA-N 549.347 5.669 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865693251 SZZZUTJAZKQBPI-XMMPIXPASA-N 514.969 5.437 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCc1ccccc1 1865694709 ZRHACGXUBRPIDZ-LJAQVGFWSA-N 550.659 6.411 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OC 1865697319 QAEMVXOQBXGXRP-MUUNZHRXSA-N 508.622 6.384 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1OC 1865701174 OHVSEGZZTMPLNU-INIZCTEOSA-N 511.287 5.433 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cc(Br)ccc1F 1865702373 UKGLHZDDCDALKZ-MRXNPFEDSA-N 511.248 5.209 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703348 UMJKYQNVCWTBST-PMERELPUSA-N 575.068 7.307 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866967137 ABLADSCTDIDFFF-SVBPBHIXSA-N 533.625 5.430 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867069110 LYLHCKTWTZCHOH-AREMUKBSSA-N 576.744 6.512 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)c1 1868434200 XTUKKWVLDQJRFD-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE COc1cccc(CCN2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)c1 1868455845 FCFZQIMEQYTTBU-UHFFFAOYSA-N 540.668 5.973 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc(C)n(C)n4)CC3)n2)c1 1868506380 WNAQPQLGWKOIHO-UHFFFAOYSA-N 512.643 5.290 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)nc(-c3cccnc3)n2)cc1 1868564516 CDOFDVPSDXEUMS-HSZRJFAPSA-N 545.466 6.196 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872744908 OADROBZEZDKUBW-ATJXCDBQSA-N 516.579 5.930 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)c(OCC)c3)n2)cc1 1872791042 SRPSTFVTZVDXNR-YZSQISJMSA-N 510.659 7.949 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 1872793398 XUNKIYWLORAZFH-NCELDCMTSA-N 510.659 8.634 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 1905661596 YOBKQAWGRXUPEC-JAGXHNFQSA-N 507.911 6.908 50 10 KKGE Clc1cc([C@H](Br)Cc2ccncc2Br)ccc1I 1924054316 YZUVBYXRRROQAP-SNVBAGLBSA-N 501.387 5.781 50 10 KKGE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924611657 DJCXVWLGMCRCIA-LFRCOYDSSA-N 507.911 6.764 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2C[C@@H]2C2CC2)c1Br 1924611758 FKRPLBOLZCZPDJ-BWZBUEFSSA-N 507.911 6.908 50 10 KKGE Fc1ccc(C(F)(F)F)cc1Cn1nc(CBr)c(I)c1C(F)(F)F 2079246167 YJGWTWRTSCHQQF-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE Cc1c([C@H](Br)c2ccc(Br)cc2Br)c(Br)nn1C 2083336483 AORJDFNGNUWQNV-LLVKDONJSA-N 501.842 5.500 50 10 KKGE F[C@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085493373 BABSLDSNKJEDCW-HTQZYQBOSA-N 542.184 6.917 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)co1 2085493700 FWOSJCUUVYOBJZ-SNVBAGLBSA-N 566.707 7.122 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@H]21 2085494872 OACXRLAIHJSMKI-XCVOJYJYSA-N 522.300 7.063 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(C2CC2)c(Br)s1 2113351116 LVNQUGVXEMRUHI-CYBMUJFWSA-N 516.011 6.616 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Br)cccc2Br)c1Br 2138861177 GJVRMFDRBROJNG-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3cc(Br)sc3Br)cc(Br)c2O1 2146630557 YBYJOFBIGLTMGB-QTTZVWFDSA-N 545.916 6.843 50 10 KKGE COc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Cl)cc1F 2168413446 RNLZHYBSTRXGNE-ZETCQYMHSA-N 507.444 6.753 50 10 KKGE O=C(N[C@H]1CCCC[C@H]1CCBr)c1ccc(Br)cc1I 2207259984 DINRDKAGELSWOA-HZMBPMFUSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)c(C)c1Br 2227358242 ZGZQCSMRJZUOHT-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@@H]1C 2234059234 SLCREIPUKQPHTF-YRVVQQKDSA-N 511.689 6.554 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)c(C)c1Br 2235606659 WXUQBTFNAHXRPA-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 2256136375 KCXDNXWBSOZYKX-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288346891 NDCUCQVWEZCEBL-NSHDSACASA-N 584.793 6.718 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198470 WLDPMPVKVZANKP-GOSISDBHSA-N 536.245 5.201 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1c(Cl)cccc1Br 2295278919 IKCYDVGMWFUVRQ-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE CCc1nn(C)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2295333450 KIUDLIPJENAXQT-NSHDSACASA-N 529.896 5.949 50 10 KKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c1 2296722548 DLZRTOPINLFGPP-UHFFFAOYSA-N 564.461 6.020 50 10 KKGE Cc1ccccc1OCCOCCOc1ccc(Br)cc1C=C(C#N)C(=O)NCc1ccccc1 2297499557 LXCNDAUZMPITTG-UHFFFAOYSA-N 535.438 5.455 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313566890 CSYRVQNHGXNPQF-UHFFFAOYSA-N 624.435 5.043 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 2313568100 RGXMSPVVIABMGP-UHFFFAOYSA-N 501.151 5.172 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314611732 ZKTWBHLWTRJILW-UHFFFAOYSA-N 583.714 5.106 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634370 JBTYHPVSKKVSPN-WJOKGBTCSA-N 536.628 6.394 50 10 KKGE O=C(CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)NN=CC=Cc1ccccc1 2320488247 QYJPTXSIUMAATG-UHFFFAOYSA-N 500.649 5.850 50 10 KKGE CCn1c(C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)nc2ccccc21 2331071890 XHCJJUKYSVMJTK-UHFFFAOYSA-N 527.249 7.769 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 2331397509 KIGTWDCBRIQROK-PBHICJAKSA-N 514.434 6.528 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1 2331429295 MDOZWEDLBKZTKZ-UHFFFAOYSA-N 503.668 5.936 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361177615 XXKKARFPPPLJRP-GOSISDBHSA-N 520.208 7.901 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)c(Br)nn2C)c1Br 2364229067 VFEFJZQAWNDAEN-JTQLQIEISA-N 594.765 6.571 50 10 KKGE BrC[C@]12CCC[C@H](CN(Cc3ccc(I)c(Br)c3)C1)C2 2377316888 NIEKULSASHAMHF-XJKSGUPXSA-N 513.055 5.441 50 10 KKGE CC1CCC([C@@H](CBr)NCc2ccc(I)c(Br)c2)CC1 2379755175 LJFFUITWMSVVFY-IJGSQOGDSA-N 515.071 5.733 50 10 KKGE N#CC(C(=O)Nc1ccc(Oc2ccccc2)cc1)=C(SCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1 3052466 DIMMFIZJGCMQLG-UHFFFAOYSA-N 577.558 9.326 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccc(C)cc4)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 15773781 LIJZLTXKPIULDW-LVWIFPILSA-N 518.617 6.132 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 28287404 GMDZBDFUKDLBMA-SDNWHVSQSA-N 515.418 6.916 50 10 KKGE CC(C)(C)c1cc([C@@H](Nc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 33353176 MMTLSVMPCGRALM-HKBQPEDESA-N 511.646 8.112 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 38700954 JRERMJZMIQBLRZ-NDEPHWFRSA-N 524.573 6.366 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815557 NHTSLZNRAWFYCN-IWBSIUBASA-N 512.009 6.482 50 10 KKGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)C(c1ccccc1)c1ccccc1 66202585 YKYQAIQEGXOXHS-WGOQTCKBSA-N 516.233 5.915 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 100063550 LETILNIMPUCNFR-YQYKVWLJSA-N 577.062 6.106 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245107 YRIXGFOGJQELSQ-NFHYYMBESA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101337768 CJRYJXFMUQWLCK-LNVYCVNDSA-N 591.693 5.143 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365146 YCXZOZSTLBNTHA-OAQYLSRUSA-N 516.178 6.193 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367263 AWZIQHIQDYBHQQ-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379170 UPUOQBHMHNWPOR-HKBQPEDESA-N 567.041 6.738 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 101393583 KUJUJNHCOLJHOY-VWLOTQADSA-N 545.389 6.258 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101394892 OCXHYYSMPMJTID-QFIPXVFZSA-N 539.465 7.367 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OC(C)(C)C)c1C 102924586 NPCCQCXZYITEFK-QGOAFFKASA-N 523.680 6.905 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741840 VSESMOASXMDVGC-GUNDDFSMSA-N 611.359 5.997 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 103879743 AAAMOHISMIURAP-HZQMBONKSA-N 613.714 7.621 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)O[C@H](c2cccnc2)P(=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)cc1 110550893 JBWIQTGKLBLKDA-KVNOHWGOSA-N 650.797 9.387 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sccc2Br)cc1Br 128842938 KJAISENCUYPNND-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 150430547 YPNPVMWDMYVJKO-ZZJXEYPFSA-N 702.302 5.977 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461955 ADPWHPDVJSCFQF-HKBQPEDESA-N 671.931 8.182 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 150463929 LUHVSQKRQYGCDO-YTTGMZPUSA-N 631.512 7.400 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)o1 162431111 LWBVOAIQGWOXQQ-UHRFHUGISA-N 660.513 5.623 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 163408260 NFEZVECVWYWEEM-OMUPBXIWSA-N 646.558 6.618 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214276782 CJGLDOXABPJIDU-QQXSKIMKSA-N 559.582 5.639 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(I)ccc3Br)ccc2O1 235766825 MDLHIGGCHWNYJM-XXFAHNHDSA-N 507.991 5.861 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccccc1Br 253566629 JEEXTXLHMSYHEO-RUMWWMSVSA-N 562.556 7.179 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3C)ccc21 254288252 CGZLAVTYEFLAKI-UHFFFAOYSA-N 545.668 6.064 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](CCI)[C@](C)(CCI)[C@H]3CC[C@]12C 254558244 KXOSGSAMSSIDCR-JJNQFABQSA-N 626.489 9.574 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccccc1 256028619 YHVRRAWYVHAHLR-UHFFFAOYSA-N 583.533 6.188 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Cl)c(Br)c2)c1Br 394475575 XBBONVNWYRVVMN-SECBINFHSA-N 513.398 7.430 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@H]2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 409421712 VAQLZJZVGRUENW-HHYCVDFBSA-N 729.292 13.315 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCCCCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC 1082888917 UOUAPQXSDRAYLM-DHQAUHHZSA-N 698.870 10.070 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cc(Br)ccc1O 1083923895 DDRZCMUXHYWSIJ-UHFFFAOYSA-N 537.477 6.664 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F 1083940566 YINSVMDQDLJDKA-XQNSMLJCSA-N 564.455 5.822 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)o1 1083950291 QMYMLYFDFLBBPZ-IBGZPJMESA-N 534.617 5.018 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1 1084387999 UQIPPVNBKKZKPG-UHFFFAOYSA-N 575.200 6.143 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc(Cl)c3)cc2)c2ccc(C)cc2)cc1Br 1084474361 VJOXCVHFGQWJEO-UHFFFAOYSA-N 626.960 6.579 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)cc1)S(=O)(=O)c1ccccc1 1084604689 HCUHAMNCBDSHSP-UHFFFAOYSA-N 629.157 7.354 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 1084622021 RRYGMULGVBETOD-UHFFFAOYSA-N 636.386 5.952 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 1084646391 AYCHOBMVCRTQBK-HSZRJFAPSA-N 545.861 6.044 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1c(Cl)cccc1Cl 1865686737 ZBRZNTISSIOYMW-OAQYLSRUSA-N 542.253 7.430 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865687941 DNIBVVKBPDVNBR-SANMLTNESA-N 504.977 6.573 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865690275 NGGKILIMOAONMT-OAQYLSRUSA-N 500.496 5.876 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865691960 GGBVERWNHKUZNE-HSZRJFAPSA-N 571.903 6.646 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695315 BJPQSYLVYXIRLP-LJQANCHMSA-N 515.795 5.173 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1OC(C)C 1865696933 LMXXNHIUYYDNTE-FQEVSTJZSA-N 518.923 5.618 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCCCc1ccccc1 1865697189 PADLPMWVIVHMKS-NDEPHWFRSA-N 527.024 6.073 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697629 YLDVYDLSMCWZKH-QFIPXVFZSA-N 557.876 5.925 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703326 TUTFKNJPZAEMTR-PMERELPUSA-N 569.105 7.042 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705733 DKKCHYDGQDNGJI-QFIPXVFZSA-N 501.905 5.517 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706690 CMUMWBSFWYDKLA-MUUNZHRXSA-N 542.058 6.531 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866811187 LUEFVYKRRZFNRC-SANMLTNESA-N 567.708 5.226 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866942016 HYKDOKRHFKZMRF-SSOJOUAXSA-N 566.477 5.417 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(Cl)c3)nc(-c3ccccc3)n2)cc1 1868365157 MHIZYNPCQGJZIM-WJOKGBTCSA-N 546.099 8.266 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 1868528138 NMIRAEXTFDHJFL-UHFFFAOYSA-N 566.687 7.226 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749839 KDPOWCPPLFJPSI-QVJTWOOLSA-N 501.608 6.102 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 1873920878 LQVOKKMIDSVAOE-IIPXAIGGSA-N 503.580 5.150 50 10 KKGE ClC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904344923 ZYQWOOYCDSQRHX-IBGZPJMESA-N 504.637 6.073 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 1924595844 FQRCKBRPIUBGTJ-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE CCCCCCCCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924600289 PMZZXTUXTJEKSQ-JTQLQIEISA-N 539.997 8.612 50 10 KKGE O=S1(=O)CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609210 UDRGGDHSYBWHCU-INEUFUBQSA-N 531.911 5.049 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1c(Br)sc(Br)c1Br 1924613590 KCQIHGSNDQCOHG-ZETCQYMHSA-N 585.324 7.163 50 10 KKGE O=S1(=O)CCC[C@H]([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 1924615919 IKPJRAOZSAYZLO-YLWLKBPMSA-N 501.487 5.140 50 10 KKGE C[C@H](CBr)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951706950 DIMVBFUVVYTXLH-SSDOTTSWSA-N 691.911 6.346 50 10 KKGE CC(C)[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497938 JQKWNOGZWUAKPV-OKTBNZSVSA-N 568.767 7.465 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc(CC2CC2)s1 2087639078 ANBGITXOMQTGPD-OAHLLOKOSA-N 512.048 6.552 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673089 HEAYQUNNPCPXFW-CYBMUJFWSA-N 529.917 7.397 50 10 KKGE CC1(C)C[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468620 LTXXAKUJMPMEKE-SREIQFSDSA-N 540.315 6.832 50 10 KKGE CCc1cscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472721 HIVNJGBXKOXMAN-NSHDSACASA-N 596.802 7.845 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)ccc1I 2142119088 PHXSKHGUHVQPAQ-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE CC(C)(C)c1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2207271879 KXLUPFSNQPGHBJ-MRXNPFEDSA-N 508.035 6.836 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232515733 BYEXWHNSVLZVFO-VIFPVBQESA-N 526.281 6.698 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CN(Cc2ccccc2)C[C@H]1C 2234059232 SLCREIPUKQPHTF-LAPQFRIASA-N 511.689 6.554 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCC23CCC3)c1Br 2247325219 BCXLYCDUTRMSSC-XPUUQOCRSA-N 507.911 7.052 50 10 KKGE Fc1cc(Br)ccc1CO[C@@H](CI)c1ccccc1Br 2281414907 UFQBBQXWJAIVKB-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(OCC)c2)c1 2294953972 QUEOLLRHGLLNPM-UHFFFAOYSA-N 521.411 6.371 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(Cl)c2)o1 2296500498 SPTFZWKNSWRJOO-UHFFFAOYSA-N 517.006 7.359 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 2296507122 ULIDCJJXUGCFDY-JOCHJYFZSA-N 562.400 7.077 50 10 KKGE C[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1 2297459421 QKJSKFUCAXEKTM-CYBMUJFWSA-N 510.413 5.540 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CCC4=CC(=NNC(=O)c5ccncc5)CC[C@@]43C)[C@H]1CCC2=NNC(=O)c1ccncc1 2297639537 ZYEHQFGKBKGWDM-UAUQZZRRSA-N 524.669 5.311 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301111310 OUZKPYHYTHHBGM-DEOSSOPVSA-N 549.531 5.095 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1 2313518104 IZDICUWQXCPOAJ-UHFFFAOYSA-N 584.308 7.352 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12 2313567834 LVXNGYQXCXYTDL-UHFFFAOYSA-N 588.445 7.276 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Br)cc1 2313570740 FFYFYZAINDDFRZ-UHFFFAOYSA-N 611.117 7.652 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=C(C=Cc1ccccc1)c1ccccc1 2313574220 YZPNVCJJMMMBMA-UHFFFAOYSA-N 528.244 6.133 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314618340 LPNVIANPHBOIIM-SANMLTNESA-N 625.128 8.125 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314618415 NFKOLZIYAMDHJI-UHFFFAOYSA-N 584.607 6.643 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314618435 NNIGDWQOBQXXCL-UHFFFAOYSA-N 532.600 6.104 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634402 MVWDVSBGPOYCDR-UUWRZZSWSA-N 580.725 7.789 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 2314728889 PPCYQMSLOPHXCT-UHFFFAOYSA-N 540.667 5.457 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)cc1OC 2314729062 TXZKFFUPNHWPGA-UHFFFAOYSA-N 503.551 5.784 50 10 KKGE O=C(CSc1nc(O)c2c(-c3ccc4c(c3)CCCC4)csc2n1)NN=Cc1ccc(Cl)cc1 2320488252 UJKTVKPVIANEQR-UHFFFAOYSA-N 509.056 5.839 50 10 KKGE C[C@H](NC(=O)C(C#N)=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 2324897012 LCLQWXMJTXYGQR-HHNYGXRFSA-N 508.710 5.522 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 2331376305 VDKOHDKFCNWTGU-UHFFFAOYSA-N 517.607 5.952 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)ccc1OCc1ccccc1C 2331484879 ZIQUISHOCJVKFI-UHFFFAOYSA-N 517.050 7.822 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccccc2Br)c1Br 2337112874 FXRUTFYWHODKMJ-NSHDSACASA-N 536.258 7.251 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Cl)c(I)c1 2360398790 BIHAWWGNMOIZPA-GFCCVEGCSA-N 528.801 7.481 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Cl)c1Br 2365177246 YAIPTHTYHDEQOF-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2c(Br)cccc2Br)c1 2366890515 RHLISTTUTQEMED-CQSZACIVSA-N 501.871 7.587 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 14041617 CRUPNHMHPSQAGB-UHFFFAOYSA-N 525.443 5.208 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38684374 PPPXPYBYLLKZAC-XMMPIXPASA-N 505.368 5.675 50 10 KKGE COc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815547 RSHRYKDKASJKOB-IWBSIUBASA-N 507.590 5.838 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1 58832879 CJZCJRDEACJGPI-ZMOGYAJESA-N 521.617 7.485 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 58891368 DZWVZGQFCCGVTE-SLLOZXFSSA-N 501.410 5.935 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1OC 97914972 YUAPDXIEIRGFRR-YZNIXAGQSA-N 541.132 6.509 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100186820 SEOKKABKKWWPAE-UHFFFAOYSA-N 621.779 5.539 50 10 KKGE Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3F)C3=C2C(=O)C[C@@H](c2ccccc2)C3)c(C)s1 100716607 YVAPLEWWMYEIBY-QYBDOPJKSA-N 548.481 6.965 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 100883621 WGGIZAHJAPHKBS-MIXAMLLLSA-N 586.500 7.763 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241395 RXGMGQWQLXQISF-IEQIIXMPSA-N 546.490 5.809 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101244034 YZGUGUANYDKRPV-FFPXFJIJSA-N 576.516 6.151 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246229 HWWHPXDMVOTKRS-IEQIIXMPSA-N 501.583 5.598 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101337024 ZJXLKCXSBOCHKI-CNVWFTDCSA-N 550.659 5.654 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101367821 YAMNLYAIERUDKF-WJOKGBTCSA-N 542.632 6.200 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCCC(C)C 101375101 GUDMIUVFAFNOHC-HKBQPEDESA-N 591.104 6.983 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381657 QOIMRHWZVAPTSJ-PMERELPUSA-N 549.539 5.376 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384988 PNKSWMSIEVXGGW-QTYPKTMWSA-N 615.513 7.726 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387999 VYASMPYSYSTISD-UMSFTDKQSA-N 576.649 6.348 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388244 XOPSEJKSRFVTMZ-XIFFEERXSA-N 611.094 7.542 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101395720 RWWROESUNTXPQW-YTTGMZPUSA-N 580.681 7.763 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399821 UNNHHIGCHGESDJ-XIFFEERXSA-N 621.089 8.118 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595593 HWVQWOQIXIQTEM-ZTKZIYFRSA-N 538.398 5.250 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c(OC)c1 101612052 PWEQYMWMOIIOFU-NDZAJKAJSA-N 546.407 5.400 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 101775362 IXEMRZVDTZZBDC-XDJHFCHBSA-N 526.998 5.085 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102933071 VWDUVDQSGNWRPB-PDGQHHTCSA-N 576.790 6.929 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2 103878406 HVTKCLPLMGKYHK-IPBVOBEMSA-N 602.235 6.038 50 10 KKGE COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 105159902 PVMQVLQCDNLYIW-YBFXNURJSA-N 546.248 6.567 50 10 KKGE Brc1cc(Br)c(O[C@H]2C[C@@H](Br)C23CCCC3)c(Br)c1 117316334 FDPFWMDHJBALPH-NEPJUHHUSA-N 517.881 6.449 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 150382988 CVZFHENZTRSVLB-OADPBGPJSA-N 658.249 5.578 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 150473980 GEOSGCCZFWRQJB-LTGZKZEYSA-N 631.533 6.796 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 150497996 ZILWUSVPIRRORM-AJBULDERSA-N 634.664 5.429 50 10 KKGE C[Si](C)(C)O[C@@H](c1ccccc1)[C@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195804175 OMZBKJRJXBECQK-ZPGRZCPFSA-N 566.781 8.576 50 10 KKGE Clc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1 236047222 XBFXBWHFLONHHS-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE CC[C@]1(C)[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 251327346 XQJZLNWPQOUKIS-NQBHXWOUSA-N 602.419 5.675 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 252607642 HDJCLNOHALMXRU-UHFFFAOYSA-N 523.814 6.364 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 252633371 WDGPOCYCIRYZMQ-UHFFFAOYSA-N 508.965 6.555 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)c2ccccc21 254556865 SZPZBDGIRWUUFD-UHFFFAOYSA-N 552.656 5.220 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254865206 ZSQUQKITEGEFQF-JCTCTBKHSA-N 525.678 6.148 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccc(Br)o1 378974305 MGAWXMZMSARLBB-UHFFFAOYSA-N 503.810 6.041 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Cl)cc(Br)c2)c1Br 380142150 PXOADQALEVLLLY-SECBINFHSA-N 513.398 7.430 50 10 KKGE Fc1cc(CCl)ccc1Oc1c(I)cc(Cl)cc1I 394204851 FNOBNQKINZAGGK-UHFFFAOYSA-N 522.910 6.219 50 10 KKGE Clc1ccc(I)c(C[C@@H](CBr)c2cccc(Br)c2)c1 405528996 LVBYLDDYCJEATN-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)C(=O)NCCSSCCC(=O)O)c(F)c1F 504144104 FJKANRXSLHOXFW-IDVQPSCUSA-N 979.159 5.621 50 10 KKGE O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@H](I)C[C@@H]12 504224046 YXECGMDYLGXYJR-MOZVGZSSSA-N 979.723 8.002 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)[nH]c(C=NNC(=O)NCc2ccco2)c1Cc1ccc(Cl)c(Cl)c1 585681065 DFBLWWQNQFLEBQ-UHFFFAOYSA-N 539.419 6.182 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)cc1OC 705466945 WPMWVVVGOBZSPN-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1scc(Br)c1Br)OCCO2 707840248 ZPIZTRAUNFPJSG-LLVKDONJSA-N 547.888 6.291 50 10 KKGE O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237552 JVMNLAJRPWFCKE-AREMUKBSSA-N 543.010 7.063 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083891075 JYJBSLLOBUWDSO-UHFFFAOYSA-N 601.122 7.260 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2OC)cc1 1083915606 GXGYMYWUDIZKIQ-UHFFFAOYSA-N 534.451 6.649 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1083964284 AHTGVTGLYALPCZ-LJAQVGFWSA-N 605.529 6.943 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc(Cl)c(Cl)c4)c3C)sc3c2CCCC3)cc1 1084015452 HJPLDKIPIIVLOH-UHFFFAOYSA-N 579.553 7.666 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1Cl 1084029318 HBJMBNCYLNMSIE-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1 1084122572 ODOYUIPZMZWNAB-UHFFFAOYSA-N 644.779 6.874 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc(C)c1 1084233440 TZBXYKHAMDEHFE-HZHRSRAPSA-N 521.444 7.554 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(Cl)c1Cl 1084326258 ABNOTVWXKXIIRB-UHFFFAOYSA-N 505.199 6.674 50 10 KKGE C=CCOc1cccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 1084419754 ZKEUQVFFLWSOGN-UHFFFAOYSA-N 551.974 5.269 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc(F)c1 1084448566 SDMCBOROTNMMDH-UHFFFAOYSA-N 587.695 8.062 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1084650461 VCZWDVWFOSDLSU-UHFFFAOYSA-N 552.543 5.229 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OCC 1865687183 LIVBTMQJSVQXBF-VWLOTQADSA-N 507.034 6.274 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(C)cc1 1865688564 VEDKDGDXFKFVGN-GDLZYMKVSA-N 573.068 6.791 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701590 YWJSKVAKHHDMNM-AREMUKBSSA-N 535.406 6.483 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703286 SKGRYWJSKKQANC-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704114 NOHAVQZZJUMUEB-AREMUKBSSA-N 531.443 6.598 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867215310 XQNBZZDROLTXNI-HXOBKFHXSA-N 507.587 5.081 50 10 KKGE COc1ccc(N(C)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1OC 1868434212 XZPYRVNFVHRNAV-UHFFFAOYSA-N 504.015 6.899 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CC(C)(C)C)CC3)n2)cc1 1868528356 RKCCBTUUAGXOJW-UHFFFAOYSA-N 502.688 6.027 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1872755045 VZOGOJIBYBJFKT-HWAZLRDOSA-N 503.624 6.010 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1Cl 1872794467 CTKNBZIAGLQDRM-WSDLNYQXSA-N 503.023 7.432 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1OCCC 1872817886 BUCOZKGWHWEQIF-CEUZYJICSA-N 506.668 7.771 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cnsc1Br 1900449263 BYWNRFANOMRAGW-BYPYZUCNSA-N 531.314 6.630 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1sccc1I 1923050511 WFLDBRSCLDKLAA-YFKPBYRVSA-N 532.875 6.921 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)Cc1ccccc1I 1923067293 ARQLWSMWRCGSPX-ZETCQYMHSA-N 540.873 7.054 50 10 KKGE CC(C)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924595644 BWECDTZQEHOZLG-LLVKDONJSA-N 531.933 7.643 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2Cc3ccccc3O2)c1Br 1924596085 IZKQQVQMNMISPP-SCZZXKLOSA-N 531.889 6.475 50 10 KKGE CC(C)CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924601324 WYEBKPASXMYWQD-NSHDSACASA-N 537.981 8.078 50 10 KKGE Cl[C@@H](Cc1ncccc1Br)c1cc(Br)ccc1I 1924859262 AOSAGQLOBAENRM-NSHDSACASA-N 501.387 5.734 50 10 KKGE CN([C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)C12CC3CC(CC(C3)C1)C2)[S@@](=O)C(C)(C)C 2080759998 HSEMHHXXQZSRQO-VUYHCVPCSA-N 675.919 9.528 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)c1C 2082883122 DNAKRKCOWOIZCW-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE ClCc1cc(Cl)cc(Br)c1OCc1cc(Br)ccc1Br 2175142512 QUDVAGYVCIXUQD-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 2203003047 QAUYOSJREUNEJC-CYBMUJFWSA-N 548.294 7.120 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206397194 GLNMYOYXZHKGRR-ZEONFMBXSA-N 564.259 7.605 50 10 KKGE Brc1sc(C[C@@H](Br)c2ccccc2)c(Br)c1Br 2216419951 LNXFXBQJENTVAB-MRVPVSSYSA-N 503.879 6.714 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2232833367 MRQCDWOXMZWWIF-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2232833502 BXEIAYQZZRPVSE-LBPRGKRZSA-N 702.642 8.134 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)c(C)c1Br 2235607850 HIMKEOPZGHOTFQ-CQSZACIVSA-N 546.322 7.729 50 10 KKGE Cc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277960473 IHGMRYZXMYRVJJ-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 2293202182 RDRJPAZPSHFQEW-UHFFFAOYSA-N 510.059 6.901 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 2296506922 LXTHIEOZYOVCKH-JOCHJYFZSA-N 606.851 7.186 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 2296507233 ZCEPYPUQTGYJBU-DEOSSOPVSA-N 566.466 6.235 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 2313568682 VYKVMMKNWRCNPO-UHFFFAOYSA-N 525.786 6.234 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568851 ZKTGLBCDYSYJEQ-UHFFFAOYSA-N 672.317 5.587 50 10 KKGE CCOc1ccc(NC(=O)COc2ccc(C=C(C#N)c3nc(O)c4ccccc4n3)cc2OCC)cc1 2314433893 WMRPKMNORCCGJR-UHFFFAOYSA-N 510.550 5.214 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)Cc2ccccc2Br)c1 2314452899 RJMZUFOVSDRBAO-HXUWFJFHSA-N 525.078 7.469 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314487615 DEVQYKLXJAMQRR-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(I)cc3)cs2)cc1OC 2314487711 HZYOWJSBBHFDLV-UHFFFAOYSA-N 516.404 6.666 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314489402 HHYVOTXTKRIVCZ-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643082 BAAGZHZMLCWDKB-MGBGTMOVSA-N 613.497 7.808 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 2314643356 VGQUOOLYKCSDQD-UUWRZZSWSA-N 574.633 6.428 50 10 KKGE COc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331019307 KHBDULAEWSROOG-UHFFFAOYSA-N 512.824 7.494 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1F 2331337623 NIFMLAIUWIGOLG-FQEVSTJZSA-N 509.584 5.168 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)ccc1OC(C)=O 2331412577 LFQGLWRLGHGODH-UHFFFAOYSA-N 508.552 5.276 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 2331459777 UOTDKRHCIYTZSC-UHFFFAOYSA-N 522.714 9.111 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336050729 MLPAUIZGJOKEPW-FQEVSTJZSA-N 502.580 7.397 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2CC(C(F)(F)F)C2)c1Br 2362223664 NSOWDWCALOCZHQ-UDSLYJHRSA-N 503.353 7.029 50 10 KKGE CS(=O)(=O)[C@H]1C[C@H]([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)C1 2362225142 UOVXKWOZBWRKCU-VGIXGZPDSA-N 513.448 5.263 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 935231 SJCASVRFBODCGU-NJEMLTPYSA-N 502.039 5.434 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9873433 LCFPZUGEPYPZIB-LEWJYISDSA-N 515.654 5.978 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1COc1cc(C)c(Cl)c(C)c1 20615840 UEYICMYIPYDDNJ-KKMKTNMSSA-N 517.807 5.776 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCCC(C)C 34983917 DNGCMVAOZQGSOS-MOHJPFBDSA-N 515.617 6.986 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 38655547 QIEDTHKOCQSHIQ-DEOSSOPVSA-N 515.780 6.158 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)ccc1Cl 38655952 CMCJEPLDEWMBEO-DEOSSOPVSA-N 515.780 6.158 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38701085 SJVLHDYKVNDRNU-AREMUKBSSA-N 512.949 6.397 50 10 KKGE O=C(COc1ccc2ccccc2c1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100061478 ASYDPPRCOWLBML-UHFFFAOYSA-N 558.226 5.123 50 10 KKGE Cc1cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc(C)c1Cl 100207245 UKDQPCSDTCSWON-UHFFFAOYSA-N 590.927 5.055 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc(C)c3)cc2Br)cc1 100233473 CFIUKJQKPQFXFV-WUKQQSQZSA-N 569.496 6.098 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335460 LGVXTGOFEYRJOU-RGVLZGJSSA-N 583.382 5.950 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(I)cc3)o2)cc1 100976366 UASRKSHECXVDTD-MWLSYYOVSA-N 558.460 6.794 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OCC)cc1 101241857 KJQAUBHSJLNBCJ-AZJLSSPBSA-N 535.975 5.486 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244166 ZIEKMOCFRPCMNC-ZFKOOEFLSA-N 516.066 6.261 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246699 ZWOIZOGCTCQANM-LVVXZCGBSA-N 513.619 5.467 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101293435 OMEMQLFNNAVEQK-MGBGTMOVSA-N 609.078 7.320 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336169 KDGCQVYNICMLNC-DFKUXCBWSA-N 580.729 6.906 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 101340746 JPJXFASBPZUOQZ-MFKUBSTISA-N 567.020 6.523 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 101367294 VLSQUDKPLDJCLG-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc(OC)c1OC 101369310 UGOFNXOPTAOWEJ-LJAQVGFWSA-N 550.567 5.942 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380114 FETQIWAPISAJTL-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382670 GJTNZABBNNPGOA-PMERELPUSA-N 617.883 6.884 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384582 MKGLARSHMPTCDL-WJOKGBTCSA-N 599.514 8.307 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101387301 RTWQASYYAJHTGE-XIFFEERXSA-N 594.639 7.030 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387988 NFJXEVOFYJBDKY-MGBGTMOVSA-N 581.068 6.992 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101395216 AHKKNMGZPZDQSY-SANMLTNESA-N 595.504 7.833 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 102665976 CEDKVQLAPZBVFF-GUNDDFSMSA-N 576.472 5.691 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 102933444 RCCPBAROUNRZOM-YVLHZVERSA-N 589.773 5.986 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc2c1CCCC2 103700521 UGDCAEATQJHLPM-SDNWHVSQSA-N 504.464 7.210 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741454 DMEKGWYSAUWVOJ-FNBPXTNNSA-N 556.844 6.307 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1F 103796874 NJFJHRBAXCABQU-ZSNJKBEMSA-N 612.499 7.706 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150389063 XZPZOJYTVQIWND-UHFFFAOYSA-N 670.383 5.640 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430377 GHWOXDXMMCVMGG-SSEXGKCCSA-N 632.456 7.317 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442209 WYZZGXYREHNHPJ-MGBGTMOVSA-N 635.116 8.427 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 150462854 MQVBAUPOSUFAQJ-JGCGQSQUSA-N 663.529 8.336 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1 161122955 DXXXBGNEBMJIMO-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE CCCCC1=C(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)[C@@H](C(Cl)(Cl)Cl)O[B-]1(CCCC)CCCC 195803888 YBNXWCFKIYSNLO-XIFFEERXSA-N 615.862 11.068 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)c1 205659674 PXQGULNPZJSMPL-GRIRWOKCSA-N 510.590 6.101 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205777557 YNGHWILXGVZJSA-AWUWXFTQSA-N 634.783 5.958 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c1 214279769 DKTNMXDBMGQHGY-COEJQBHMSA-N 605.720 5.362 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214360245 NAPRPUFEJSUGJL-GBAJOOFISA-N 518.617 5.706 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1Cl 252639560 YLTRJFHUGVSLFJ-UHFFFAOYSA-N 646.358 5.381 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)c3)CC[C@@]1(C)C(=O)[C@H]2Br 256019303 SJQCQMTVXCPUAI-XGFFMVSESA-N 622.398 5.881 50 10 KKGE Cc1c(-c2c(C)c(C(C)C)c3cc(O)c(O)c(C=NNC(=O)CCNC(=O)c4ccccc4)c3c2O)c(O)c2c(C=NNC(=O)CCNC(=O)c3ccccc3)c(O)c(O)cc2c1C(C)C 263632766 TVLOWNGYHAHANT-UHFFFAOYSA-N 896.998 7.298 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)cc1Br 300470858 DXGICBUOFVQVIR-AWEZNQCLSA-N 558.877 6.917 50 10 KKGE Fc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 380021470 UFGJRJACLDQAOR-ZDUSSCGKSA-N 511.954 5.612 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1F 398592706 PZSSWICDEMJTBF-LLVKDONJSA-N 540.342 6.609 50 10 KKGE CCOc1cc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 1082441861 DABWLMQNWNKOSJ-GHXNOFRVSA-N 532.774 6.607 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cc2ccccc2o1 1083857870 NELCYPMTXWGJPR-UHFFFAOYSA-N 530.749 6.034 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OCCCCCCCC)cc2)cc1 1083911865 GASAOMINKVYJOA-UHFFFAOYSA-N 508.747 8.709 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1 1083920951 SOCWZMRECOKXFI-UHFFFAOYSA-N 609.645 6.796 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)CNc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1 1083984644 JAOXFDLZVAFVSM-UHFFFAOYSA-N 567.759 6.774 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1 1084002590 FYYHWXKWHIGSRH-HKBQPEDESA-N 560.094 6.689 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1C#N 1084042164 OJNKQHOVAQHWBK-PCLIKHOPSA-N 571.475 5.554 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084086413 SVZSLYKKOCWEPB-UHFFFAOYSA-N 546.668 5.504 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccccc1OCc1cccc2ccccc12 1084120659 LEEZJNHFPUNGHA-UHFFFAOYSA-N 511.581 6.037 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCCC1 1084202896 GLBIGVOCGIJMQF-UHFFFAOYSA-N 700.802 7.761 50 10 KKGE COc1ccc2cc(C=NNC(=O)CN(c3cc(Cl)cc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1 1084287763 AXLDKOMXSNNQHQ-UHFFFAOYSA-N 591.904 5.858 50 10 KKGE COc1cc(C=NNC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084334384 VZFYNGUUIINAIU-UHFFFAOYSA-N 509.187 5.502 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084549629 RAXKINBHYJYMMR-UHFFFAOYSA-N 608.094 7.576 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1cc(I)cc(I)c1O)NN=Cc1cc(I)cc(I)c1O 1084626045 AFLOKVREQKOOKF-UHFFFAOYSA-N 970.166 7.018 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2 1772729462 PDYASQFUKNYHCS-UHFFFAOYSA-N 509.404 5.214 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 1772754188 QHTKLGPRLQBWAI-UHFFFAOYSA-N 519.480 6.099 50 10 KKGE CCOc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1O 1772754389 SXDAAKIJNOMRPY-UHFFFAOYSA-N 528.241 5.277 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865689927 GQKIXXHIPCQWKH-XMMPIXPASA-N 511.453 6.919 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690340 OWORPWYNINVQMD-PMERELPUSA-N 558.613 6.543 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694781 BHVQGLPWUXRLIJ-MHZLTWQESA-N 563.460 7.127 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865695969 VZFMKXZFDTWVFQ-AREMUKBSSA-N 521.061 6.333 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865698809 CXOPEBJPICXSSB-HXUWFJFHSA-N 509.418 6.443 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701086 LOMMITLDFBUQNK-HHHXNRCGSA-N 579.459 6.745 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703218 QGNIOWIWMWAMKN-RUZDIDTESA-N 517.416 6.539 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704802 FDHVBBNIGGEHAE-RUZDIDTESA-N 512.997 6.207 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c(OC)c1 1865707588 AGKQPQSPLORNQV-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131560 BDJIZKYUOYSESZ-CIAFOILYSA-N 535.463 6.779 50 10 KKGE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866678992 FGLAQYUDNDFPLZ-DEOSSOPVSA-N 518.683 6.377 50 10 KKGE CC[C@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867138576 RRUWZIFKQDCOKV-QRWLVFNGSA-N 504.450 5.448 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1Cl 1872756141 SFBCINROGWCDKY-ATVHPVEESA-N 502.206 7.304 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1OC 1873940944 OMKWFFRKKSIFRN-NSSPVPIHSA-N 519.420 7.249 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1c(Br)cccc1Br 1925546280 NTHPUFHOTLPGRM-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1csc(Br)c1Br 1925546734 QPOARGJGFWXWID-YFKPBYRVSA-N 520.320 7.732 50 10 KKGE CC(C)(CCF)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493776 GWCYUWJZSBTRSX-NSHDSACASA-N 530.295 7.402 50 10 KKGE C[C@@H]1C[C@@H]1CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497019 DGPNOYGPYMVKNS-CSMHCCOUSA-N 568.767 7.609 50 10 KKGE O=S1(=O)CC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498726 CMOIGKHGPXZOQA-LHLIQPBNSA-N 590.751 5.360 50 10 KKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1cc(Br)ccc1I 2163744924 CEWJVTKWVDLDBP-MNOVXSKESA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)c(F)c1Cl 2201617150 CYSJSJGXXMTKDR-LLVKDONJSA-N 509.797 7.281 50 10 KKGE CC[C@@H](C)c1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2207270821 DKWFZYBQJBPHBA-DIFFPNOSSA-N 508.035 7.052 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)c(C)c1Cl 2232512476 UIVRKHYHGZNRPU-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233978217 ZCBZDAWMYIXIRI-CQSZACIVSA-N 531.839 6.606 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CCN(Cc2ccccc2)[C@H]1C 2234057767 CFDGVYWCNCBTGB-NJSLBKSFSA-N 511.689 6.697 50 10 KKGE COc1ccc([C@H](Br)c2nc(C)sc2Br)cc1I 2257368787 JPZVOZXRSPHJPN-JTQLQIEISA-N 502.997 5.312 50 10 KKGE CC1CC2(C1)CC([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2259590856 VOLIREXRSALFPZ-OMLQMCLNSA-N 521.938 7.298 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1Br 2272726647 ASZYMKLOYVUDAJ-VIFPVBQESA-N 539.859 7.107 50 10 KKGE COc1ccc(C(=O)Oc2cccc(C=C(C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 2294510999 OJMNNDDWHPAOCJ-UHFFFAOYSA-N 500.860 6.132 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccc3ccccc23)c(OC)c1 2295459661 KXWXUSMOKBPSGL-UHFFFAOYSA-N 523.501 5.530 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(I)cc2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2296645899 YVRCELJHTNGDIY-UHFFFAOYSA-N 605.388 5.201 50 10 KKGE CC(C=NNC(=O)CNc1cc(Br)c(C)c(Br)c1)=Cc1ccc(C(C)C)cc1 2296734169 JMJOZYZHXMTKPU-UHFFFAOYSA-N 507.270 6.261 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1c(C#N)c(=N)[nH]n1-c1ccccc1 2297377739 OWUGYYIBIKWARI-UHFFFAOYSA-N 501.300 5.151 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1C 2313548819 GLOLRIMEMYVFGA-UHFFFAOYSA-N 521.617 7.485 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)O 2313571242 QNXRNDVNPVNXRN-UHFFFAOYSA-N 514.159 5.164 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2313631150 LHZBFMJSRYYTNX-UHFFFAOYSA-N 501.753 6.420 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccc(Br)cc1 2313681171 PXMIRGOHBNOCOO-UHFFFAOYSA-N 513.391 6.736 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C1 2314479452 XEGNYBGKMDNTGP-HSZRJFAPSA-N 557.720 5.316 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593737 SDQOFPRSHVZNGY-QHCPKHFHSA-N 536.451 5.402 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593863 VCKZORUJWHRCID-SIBVEZHUSA-N 550.511 6.914 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314620135 KIKMBTRYPOOTBT-UHFFFAOYSA-N 560.629 6.568 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 2314640740 UXGKEQYPHABODP-JGCGQSQUSA-N 514.581 6.411 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643359 VIXISSGUDBQQFO-MGBGTMOVSA-N 579.052 7.073 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccc(C)cc1 2331421803 UAXXKMZAUQFUCC-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Brc1cc(C[C@@H]2CCCCCCC[C@@H]2Br)ccc1I 2349778849 PEDSBWRDONOPIR-KBPBESRZSA-N 500.056 6.720 50 10 KKGE FC1(F)[C@@H]2CC[C@@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358264748 WQQRLGJRSVACDQ-LBAYDFSESA-N 602.731 7.464 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(Br)cc1Br 2360495034 YCOAMRBZXQEWAD-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE COc1c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)csc1C 2362222922 KJUYYGPPLROBII-JTQLQIEISA-N 507.444 6.867 50 10 KKGE COc1c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)csc1C 2362222923 KJUYYGPPLROBII-SNVBAGLBSA-N 507.444 6.867 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)c(F)c1Cl 2365597982 MHWPXKWXFQIZLG-NSHDSACASA-N 512.346 6.967 50 10 KKGE Clc1cccc([C@@H](CI)OCc2ccc(Cl)cc2I)c1 2365645823 SCZKXILXLVEGHP-OAHLLOKOSA-N 532.974 6.291 50 10 KKGE N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1 3663273 YGKUCFYIYXLXIG-GOSISDBHSA-N 528.781 6.488 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(Br)c1 38651461 QMSUIVCKUHLRND-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OC 38681967 OXFBVPDFYACCCS-NDEPHWFRSA-N 516.569 6.231 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684253 NVDAIBOOEHQEKP-PMERELPUSA-N 528.605 5.495 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38684307 LOMGMBBADZZWDV-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1 38686753 OYFKRTBBVGSASZ-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Br)c3)c(C)c2c1 38687885 MPMYMONINWTWAO-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@H](Br)C2=O 39752997 MKMBXXAIGNLKPZ-QPVYNBJUSA-N 509.488 5.079 50 10 KKGE C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 96610725 XSLCAMPVVCGIBH-WZZPSOHESA-N 522.270 6.937 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182133 JIFGHPZILLLDOX-UHFFFAOYSA-N 550.519 5.248 50 10 KKGE CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100194967 QMRJGHBFLZHUGX-UHFFFAOYSA-N 538.442 5.472 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)cc1 100200966 QXZRJZKCOIVAOZ-UHFFFAOYSA-N 557.735 6.671 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)COc1c(Cl)cc(Cl)cc1Br 100229577 HBCWWKYUVRFIEO-UHFFFAOYSA-N 545.044 5.448 50 10 KKGE CCOc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232122 QTRRQGNGFDYNKH-GRIZMQLISA-N 556.413 5.299 50 10 KKGE O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1 100476304 CRLKHAYYYLMAPI-BRJLIKDPSA-N 534.819 5.832 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 101241610 DIXBZWORLDSRDY-CKVBZJJFSA-N 510.457 5.301 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246034 GSYCSXDICBHOBL-SCHJHDHGSA-N 550.511 7.490 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101333508 DFLMLZXRWZTVNJ-VUTHCHCSSA-N 536.676 6.747 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101392719 AQEJWXDVRLMKQC-HSZRJFAPSA-N 567.450 7.053 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 101393058 SBWPXMAWXDUTPH-GDLZYMKVSA-N 611.522 7.797 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cc(C)ccc6c5Cl)ccc43)cc2)cc1 101397384 QWCOIOZYKGGSEL-SSEXGKCCSA-N 593.104 8.188 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)cc1 101604335 YOZLCMGEHKNEFW-TWKHWXDSSA-N 548.393 5.597 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1)C(=O)NCc1ccco1 101733132 VUALIRXNZSWLCC-MHWRWJLKSA-N 560.198 5.012 50 10 KKGE O=CN/C(=C(/S)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618779 KVSPBHWEDWXAFZ-CYYJNZCTSA-O 507.040 6.229 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665961 CFQGPYXFJOZPIB-XCQFTPQJSA-N 534.435 5.523 50 10 KKGE CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1 102808944 MHHXQPXVJNRTKO-NDEPHWFRSA-N 540.689 6.528 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102943199 XIBPLWSKASJMOA-XDLYJWAGSA-N 575.613 6.852 50 10 KKGE CC(=O)OP(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 105732609 MKCZTRHKAYZSDG-UHFFFAOYSA-N 597.635 7.087 50 10 KKGE Brc1cc([C@H](Br)c2ccccc2I)c(Br)s1 109312365 CSYGOFPGQMJPMH-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(Br)c(Br)s1 127780288 ICFXAJKZRDTMHP-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1Br 148990304 QIAFPQRAXZOJCW-JTQLQIEISA-N 524.297 7.173 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1 150383000 PHPCHFUHXOHZRH-MGCJZSHXSA-N 766.155 6.043 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1OC 150497468 LFLZAYVNSWAMKU-XPGZBYHPSA-N 700.795 8.124 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@H](NC(=O)c4ccccc4)N(C)C3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 195813752 NYYLNLXPSZHDLV-OMXXTNRHSA-N 780.007 7.126 50 10 KKGE ClCc1cc(CCl)cc(OCc2cccc(COc3cc(CCl)cc(CCl)c3)c2-c2ccccc2)c1 198758567 KDLYOBPQGYNZFO-UHFFFAOYSA-N 560.348 9.467 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206396643 YYEYXQNIWKWGPJ-ZXUMUPRXSA-N 544.607 6.116 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206434268 BUYKIIVGPXRRBE-AQRRZUFUSA-N 534.568 5.709 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1C 206508984 GQQMFVBSXOWVIG-IFLNWSKMSA-N 578.621 6.026 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1 206688256 ZNTOQLWHPDRVLI-WMGYAVBXSA-N 534.568 5.709 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 208279833 MHNHIGWCUNOEFZ-UZGUBXJASA-N 578.822 7.136 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214335641 MUKGFEMVTSKQSO-NRCSBPEHSA-N 570.693 7.380 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214375999 CDIRCYFJFCZPMO-QXPFVDMISA-N 631.758 5.815 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214379419 PZGAAPXATKTGJN-LRIZEKIPSA-N 640.743 8.372 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(F)cc2I)cc1Br 233819897 FEVBQJWRJAXHBX-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE Clc1ccc([C@H](Br)c2cc(I)ccc2Br)c(Cl)c1 236066337 SCYPINJOXISHPP-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(OC)cc3)cc2)cc1 252618388 LFSQXMFUWDIJMO-SSEXGKCCSA-N 539.035 6.477 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1CN1CCSCC1 252626897 RHWOUDQAIHQDJY-UHFFFAOYSA-N 510.663 5.532 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2C2CCCCC2)cc1 254344288 MCHLQGLLJHILAT-UHFFFAOYSA-N 539.705 6.580 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 254406549 DDISZPFVNPVLJI-UHFFFAOYSA-N 556.655 5.424 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nnc2-c2ccc(C)cc2)cc1 254438932 IFKMRKMFGBFNRL-UHFFFAOYSA-N 549.656 6.286 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nnc2-c2ccccc2)cc1 254625627 ZEJFJBHMIFHIJA-UHFFFAOYSA-N 533.657 6.064 50 10 KKGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 254736852 HOKHBRIQVMYINW-UHFFFAOYSA-N 563.683 5.417 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4[C@H](Br)[C@@H](Br)CC[C@]4(C)[C@@H]3CC[C@]12C 254759242 MJONUVUVBROXRW-OVSIMSPQSA-N 530.473 9.245 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccccc2OCc2ccccc2)cc1 254855440 YZUDPEFEAFFANZ-UHFFFAOYSA-N 544.607 6.801 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cccc(C)c2I)c(C)c1Br 312815849 SDOVGOKWLRLPOL-INIZCTEOSA-N 508.035 6.772 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2F)C1 382693167 QGJNAVDGLQYJTC-PBHICJAKSA-N 518.164 5.375 50 10 KKGE Cc1cccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)c1Br 382697063 BJDWZHZEKCBLQE-WMZOPIPTSA-N 514.201 5.545 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cccc(I)c2)C1 382710583 YBTBXXZMXGKVAF-WMZOPIPTSA-N 500.174 5.038 50 10 KKGE CC1(C)C[C@@H](Br)CCN(C(=O)c2ccc(I)c(Br)c2)C1 721579115 QCIWIIQNKVDDOL-NSHDSACASA-N 515.027 5.079 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 1082988581 WDMBZAFGOCGMRW-UQOVDVNPSA-N 602.239 5.050 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817674 XIJUVZWMRLQMRZ-LJSPMDRASA-N 834.994 7.822 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084048570 RTQDBRWUMVRGCH-OEAKJJBVSA-N 606.318 5.918 50 10 KKGE COc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1 1084098788 NHEJNOKSPFWGAO-UHFFFAOYSA-N 583.651 6.381 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 1084160293 NFKGYJUGWKZARL-ODLFYWEKSA-N 530.249 7.497 50 10 KKGE O=C(NN=Cc1cccn1-c1ccc(Br)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 1084183368 CMBQPZYSSLQGHF-UHFFFAOYSA-N 517.471 6.863 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1 1084354969 MTOQHHGROSXDJW-UHFFFAOYSA-N 560.470 6.028 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(NC(=O)c2ccccc2)c1 1084371154 KKIKFBULJHUERG-UHFFFAOYSA-N 514.050 7.039 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)c2cc(Cl)ccc2OC)cc1OC 1084400679 ZURITXSAUFBADD-UHFFFAOYSA-N 674.175 6.444 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084550679 NLNRTCIRRUTINR-YZSQISJMSA-N 725.368 6.884 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl 1084640354 LEGZWUWKQMRREL-UDWIEESQSA-N 572.830 6.776 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CCc2c(F)cncc2NC(=O)OCc2ccccc2)OC[C@@H]1CO[Si](C)(C)C(C)(C)C 1857788023 ZGXUGAJSQOEICI-RPWUZVMVSA-N 603.808 6.928 50 10 KKGE CN[C@@H](C(=O)OCc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(OC(C)=O)c1 1857790903 PIIPLYWSPZGWKA-LOYHVIPDSA-N 563.767 6.585 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682886 ZTUBXYGTHBTURH-HSZRJFAPSA-N 535.387 5.787 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 1865685424 IJWTYZQCSNPILD-RUZDIDTESA-N 509.396 7.217 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688007 GIPITXJUVYOTDH-WJOKGBTCSA-N 550.618 7.081 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865689284 ONLVXAQRGQFSFC-JOCHJYFZSA-N 509.404 5.213 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689745 DPYDVFKABVRFMM-QHCPKHFHSA-N 502.496 5.747 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865690821 BWKPEYFIXLHQDM-OAQYLSRUSA-N 543.849 5.866 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865692857 GHSPUMXTYAYKAK-NDEPHWFRSA-N 520.633 6.231 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693035 KTCKDIYXDAIJNF-MHZLTWQESA-N 511.025 6.584 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)c(Cl)c1 1865694221 VZGDLBXYRBILQM-VWLOTQADSA-N 577.468 6.539 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 1865704432 VQXVUKISOLGROA-MUUNZHRXSA-N 511.025 6.307 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704480 WXVXBQTZWGXRKA-HHHXNRCGSA-N 570.546 7.040 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865704599 ZQHONFIPJZEPTE-WJOKGBTCSA-N 556.666 7.165 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1OCc1cccc(C)c1 1865704890 HCJNQQSAGVFXIY-GDLZYMKVSA-N 575.068 7.307 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706476 XOVSETTYNADQOD-HSZRJFAPSA-N 548.386 6.040 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707801 GOZZNPFLMOHMSK-XMMPIXPASA-N 514.969 5.437 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865709066 MSVZRNFPZCNVQR-MUUNZHRXSA-N 573.694 5.223 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Br)cc1 1865714408 JPYZOXKITLURDK-RUZDIDTESA-N 519.402 6.673 50 10 KKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131820 PDWVVWDSXJLOKT-WOJGMQOQSA-N 506.356 5.264 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867215311 XQNBZZDROLTXNI-SBUREZEXSA-N 507.587 5.081 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5c(cc4[C@H]3c3ccccc3)OCO5)n2)cc1 1868321312 YTUXOXYPNFLKFB-MGBGTMOVSA-N 569.690 7.650 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(Cl)cc3Cl)n2)cc1 1872753054 FXGQPOQGBSEDFP-FLFQWRMESA-N 517.478 8.338 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c1 1872755046 VZOGOJIBYBJFKT-IRMDRMDNSA-N 503.624 6.010 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872793968 CPBHZXWDPGIJRS-UDWIEESQSA-N 507.442 8.077 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)s1 1922943649 WCXHFQVQGMPQFM-JTQLQIEISA-N 615.748 7.125 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1sc(Br)cc1Br 1922943697 WMUCFXKFNSSRHI-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924590385 IZFAWRGRXVYLMO-ZETCQYMHSA-N 525.832 6.798 50 10 KKGE CC[C@H](c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924596481 PBDQMTCNOFVBNL-MWLCHTKSSA-N 531.933 7.665 50 10 KKGE Cc1ccc(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924599662 KMBPUGKFAHIMSV-QMMMGPOBSA-N 539.859 7.107 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(N2C(=O)C(=CNNC(=O)c3ccc(COc4cccc5cccnc45)cc3)c3ccccc3C2=O)c1 2042445449 OOPBFUORLPHXSL-UHFFFAOYSA-N 675.767 5.307 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1C 2053623117 GBDQIPXQGRFLAH-UHFFFAOYSA-N 585.354 5.347 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccccc2OCc2ccccc2)c1Br 2083319451 ZALKOJYGWQYQQW-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Clc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141473365 OBPYAYPSBXTTOK-VIFPVBQESA-N 637.638 8.589 50 10 KKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1C(=O)c1cc(Br)ccc1I 2185101128 WBMIAHLYLMKCCY-WCQYABFASA-N 515.027 5.078 50 10 KKGE CC1(C)OCCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401676 YUVSHESLDGMJOW-HQJQHLMTSA-N 598.793 7.378 50 10 KKGE Cc1ccc(I)c(C(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1 2217402688 YVHHSCJOSQEPQZ-LJQANCHMSA-N 500.218 5.662 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)cc(Br)c2)c1C 2218788644 DURYPRLLOATRTN-NSHDSACASA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2225632969 GUYSWVJNLKNMPL-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Brc1cc2sc([C@@H](Br)c3ccccc3I)cc2s1 2263617266 DJAABJSVSJGROD-ZDUSSCGKSA-N 514.045 6.814 50 10 KKGE Cc1cccc(Oc2c(CBr)ccc(Br)c2Cl)c1I 2277895130 CCUNMLNAFJZTKZ-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818775 ZGOPKSBMLRPLLN-IITZCDEZSA-N 855.298 15.406 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2296500435 PMMIOUTWZBGDIS-UHFFFAOYSA-N 514.821 7.500 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=CC(C)=Cc1ccc(C(C)C)cc1 2297104911 LYCUZTDIHJOGIP-UHFFFAOYSA-N 538.721 6.650 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)COc1ccc(C(C)(C)C)cc1C 2297707828 PINMPJWMMZTYOU-UHFFFAOYSA-N 512.242 5.355 50 10 KKGE Brc1cc(CO[C@@H]2CCCC[C@H]2I)ccc1I 2306295620 AZKYTBUPFZSAKB-CHWSQXEVSA-N 520.974 5.317 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(I)cc1 2313568055 OLGZLEBDMYVMDI-UHFFFAOYSA-N 603.254 6.495 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631383 PHFHNNLGMNUVSG-UHFFFAOYSA-N 581.091 7.643 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592362 RUYZGHSOCMCBHH-DEOSSOPVSA-N 572.008 6.741 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593678 QXIYNMCWXLWCHK-QHCPKHFHSA-N 536.451 5.347 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618548 PKFWFTPCCRCRSZ-DEOSSOPVSA-N 542.639 6.682 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314621005 YKVDFGPINUGVOM-UHFFFAOYSA-N 629.091 7.703 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643124 CNHUFPDWDGNSQH-HKBQPEDESA-N 587.434 7.548 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643274 NNZUCIZNMIOLKM-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3cccc(Br)c3)c2C(=O)OCC)cc1 2329699342 GNWXWKVZGIDBQK-UHFFFAOYSA-N 539.451 6.689 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2)cc1 2331237853 LMVNFWWNQLUYIM-UHFFFAOYSA-N 500.623 8.395 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 2331376631 AJVCHLKDWKYZKY-AWEZNQCLSA-N 505.423 7.174 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331394535 ROTRHYXSCIKKEL-AREMUKBSSA-N 519.626 6.436 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2COCC[C@H]21 2333303523 IPNLRYSRXLXCHC-ZTWFDIKUSA-N 538.299 6.299 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(I)cc1 2339648098 HTVAPAPIHJBERX-GFCCVEGCSA-N 562.840 6.748 50 10 KKGE Cc1c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)nn(C)c1Br 2360481073 IKSQSBKOVOXARL-VIFPVBQESA-N 509.826 6.184 50 10 KKGE COc1c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)csc1Cl 2362223111 HRQSHOQYDJCIMU-QMMMGPOBSA-N 527.862 7.212 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)Cc2ccccc2I)c1Br 2362238179 USGWSPSGZTWAIZ-VIFPVBQESA-N 552.834 7.131 50 10 KKGE Cc1ccc([C@H](CI)OCc2ccc(Cl)cc2I)cc1 2365646256 XDWHQOVZQVFRNI-INIZCTEOSA-N 512.556 5.946 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2ccccc2I)c1 2381253437 IEYBDZNBANCTDC-OAHLLOKOSA-N 510.007 6.109 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651796 XYVSJZOYAYRZBD-CPJLOUKISA-N 519.395 5.603 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 38683879 YJCOGAVRKJEXBH-AREMUKBSSA-N 515.522 5.220 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)c1 39858850 CUYTZKAAZCYMPH-PDGQHHTCSA-N 519.388 6.265 50 10 KKGE CC(C)(C)[C@H](CBr)COc1c(Br)cc(Br)cc1Br 96871337 USESLFZDZSCPOG-MRVPVSSYSA-N 507.886 6.410 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100232747 RYSXKQGEHGZCRQ-XDHOZWIPSA-N 556.254 6.735 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 100452876 NJLCTOIYVCHHNU-DHCNTSDESA-N 526.247 6.843 50 10 KKGE CCCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870040 ZOUKMYPCWALSDP-WXKOKIAESA-N 628.818 6.058 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242086 OWLOHQJMYPZUCJ-YMGIJWJESA-N 526.445 5.891 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244173 WAYXTLUPEJHMNR-OSNVHYDOSA-N 516.066 6.261 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337714 OZQVXSSFQLTZJB-ZAVGGQCXSA-N 577.084 7.335 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101368073 CRRLMGCGNUJAIE-MGBGTMOVSA-N 548.639 6.784 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 101372315 MEPAIOGXRSEARH-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101394724 SQCSKWLBEKNNLI-AREMUKBSSA-N 559.416 6.730 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101394747 YOQRYGGMBQRFRS-MUUNZHRXSA-N 623.558 8.613 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101395928 XLNLWJPLBNRGSX-YTTGMZPUSA-N 580.681 7.845 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399636 USCWLQPJVHYCCC-MGBGTMOVSA-N 586.644 7.465 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399790 OGMCVPYYTBFPBE-ROJLCIKYSA-N 611.050 6.281 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 103563359 JSCRUPMAFJZAKH-WCMJOSRZSA-N 612.933 6.697 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 103876761 QEQVPRLITMKYAF-RQXXSLPSSA-N 614.702 7.831 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1 103878416 WNEPIKBRFYCUDL-KKMKTNMSSA-N 562.645 6.954 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1O 103880738 WYNKGUPBYKEGMJ-LQKURTRISA-N 551.384 5.535 50 10 KKGE O=[N+]([O-])c1ccc(OCc2ccccc2)cc1SSc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] 105415807 WDZPCSWWNDCGDM-UHFFFAOYSA-N 520.588 7.460 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 138244924 CEVMBOSEOFRVKF-YLMDWITQSA-N 507.715 6.942 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411522 ZSEMQBNSQJLBRE-DTNLCIQKSA-N 684.749 6.174 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 150440336 DTIPIGTYFDKJQC-DEOSSOPVSA-N 711.212 9.389 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 150446245 KHAUZSNCSLHEFJ-FOXLNIFNSA-N 688.870 6.239 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150462864 BQDUNFUFFBVFFH-WJOKGBTCSA-N 655.476 7.668 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150489371 OHWXWHJJVUKJSH-LJQANCHMSA-N 630.695 7.173 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1Cl 150498730 TZEOWYJAOCQPTB-IURWMYGYSA-N 651.435 8.100 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205781023 YWBUDWCHIOSEKV-IMASQNRCSA-N 676.795 5.952 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(I)ccc2Br)cc1Br 236265558 PHAGKJNHCIDPPU-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 247532674 PJXWXHJDJODISP-XSDIEEQYSA-N 541.071 6.076 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3)ccc21 254483394 BJGHDNGCWSPPCL-UHFFFAOYSA-N 531.641 5.756 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2OCc2ccc(C(=O)OC)cc2)cc1 254559467 DYFZVYFZZGXYMP-UHFFFAOYSA-N 587.654 5.016 50 10 KKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 254746851 LGKKZDRTRWLQAI-SQIFRWHFSA-N 539.705 6.456 50 10 KKGE C[C@H](C(=O)NN=Cc1c(Cl)cccc1Cl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 254751499 MAFXIORBFPOERM-SECBINFHSA-N 525.240 5.396 50 10 KKGE O=C(CCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 257351292 DCQCVVWVDUKNGO-UHFFFAOYSA-N 534.616 5.225 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc3ccccc3c2)cc1 263631428 YQIFGRCKJSCDDV-UHFFFAOYSA-N 504.590 6.010 50 10 KKGE CC(C)C(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2ncn([C@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@@H](CO[P@](=O)(Cl)N(C)C)O3)c2n1 616587709 RXKFVIDODWLSLB-IYIJGJDYSA-N 899.389 9.875 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2c3ccccc3CCN2CCO[Si](C)(C)C(C)(C)C)cc1 616678098 BGVRBUMYXHBAJS-GDLZYMKVSA-N 525.926 8.220 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3ccccc3I)c1)OCCC2 688380679 XVUWJXPSJPHDNR-HNNXBMFYSA-N 507.991 5.863 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 725392598 PEVMIWDZVYFRFS-UHFFFAOYSA-N 572.731 5.103 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1 1084147753 NBFGYJZGDMTXDU-AWEZNQCLSA-N 591.498 6.979 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccccc4O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 1084332997 PLTSUECRQBBSOX-UHFFFAOYSA-N 569.624 6.078 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 1084361961 HHCMNYSYPIKABQ-QGZVFWFLSA-N 503.451 6.602 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 1084458445 CGZSXVYHIWGQSH-UHFFFAOYSA-N 536.426 5.346 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084589146 DIQLTZJJQREOQG-UHFFFAOYSA-N 632.106 6.935 50 10 KKGE C[C@H](Oc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084636380 CEHAIYCQCHAOBX-INIZCTEOSA-N 532.232 5.708 50 10 KKGE CO[C@]1(C)O[C@@H]2O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2O1 1615855648 KJOXQJMJZSWNTR-PAQPNXMXSA-N 572.815 6.810 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)ON=C1C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3cc(Cl)c(Cl)cc3nc12 1772721778 SHRKUBGQSWSJGA-FFEAIGKASA-N 579.366 7.386 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747706 SNQBUZSVGWZTBP-UHFFFAOYSA-N 515.353 5.455 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 1775963163 CBYATNWDDXHUQS-FAONRBTBSA-N 781.541 9.191 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686212 SDKLCNQLOBKGAH-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCCc1ccccc1 1865688472 SMKJGDZTKGLXSW-MUUNZHRXSA-N 510.569 5.227 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865691265 OAVJAAIRHCHAMI-QHCPKHFHSA-N 555.448 5.801 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865691496 UFIVZPZBTWKNNG-AREMUKBSSA-N 504.606 5.819 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1 1865693650 XPXKTTNKRGRDRP-HSZRJFAPSA-N 507.432 5.984 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865694128 UOFZOULFUUADJV-RUZDIDTESA-N 526.568 5.372 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865696751 QVWXYKLZWDMUJI-JOCHJYFZSA-N 549.812 5.888 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705404 UXOBPSHHQWYUOX-AREMUKBSSA-N 575.452 6.578 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707691 DDLUPYHVOZWFHV-QFIPXVFZSA-N 515.367 5.234 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(Br)cc1 1865714155 FDOIPZHVHYAFIX-QFIPXVFZSA-N 501.359 5.718 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867052767 HTWOPFDKBIQFAW-DEOSSOPVSA-N 513.648 5.077 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@@H](CC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867219575 LLMVANMRCQSDFI-UIOOFZCWSA-N 522.070 6.367 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872751253 YXKUXHGIFHHMIJ-DMJQWXIHSA-N 519.804 6.257 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 1872751569 NNDCWNPOYGIPIC-BBSKCDMESA-N 501.652 6.519 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3ccccc3C(=O)c3ccccc3)n2)c(OC)cc1Cl 1872755098 YKSDZKVICDPDCQ-QOMWVZHYSA-N 502.979 6.662 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1C 1872756525 NTHCQOCWIXNGDF-RFBIWTDZSA-N 505.599 6.216 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872793017 DCANHAUSXDKOKH-PXLXIMEGSA-N 515.078 8.413 50 10 KKGE Fc1cccc([C@H](Br)c2sc(Br)cc2Br)c1Br 1922939635 IQLVCZLNSINTIW-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1I 1923041135 YWTOMSUMSZVMIT-RXMQYKEDSA-N 530.838 5.593 50 10 KKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC1 1924571120 OUTLWHFPUULCRE-VIFPVBQESA-N 525.926 6.678 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593242 CRVDQNXMALWQCG-SECBINFHSA-N 582.775 7.591 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924593711 HHWLWDOTSSOAQY-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE CCCOc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924600122 OQTFUBVUALUFHP-LBPRGKRZSA-N 503.481 7.153 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1OC 1924601953 PZPVAVWSBMEKLF-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@@H]3C2)c1Br 1924605341 POSHGWGAIALWBJ-YYWONIAYSA-N 507.911 6.908 50 10 KKGE CCCCCC[C@H](Cl)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](Cl)C[C@@H](Cl)CCCCCCCCCO[Si](C)(C)C 1933278092 PYMYVJXXZGZEFJ-FVYAUOJASA-N 664.464 11.582 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(Br)cc1 2042446127 UFEMZJLKGFTFAY-UHFFFAOYSA-N 520.408 6.149 50 10 KKGE Fc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)cc1C(F)(F)F 2079260799 OTEBWSIHDJOKMW-UHFFFAOYSA-N 516.980 5.549 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c(F)c1Cl 2081843028 BTTRKMLYFIIYOA-MRXNPFEDSA-N 508.609 7.506 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1I 2086021802 BUEGTIRVQOFYQZ-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Cn1cc(Br)c(COc2c(Br)cc(CBr)cc2Br)n1 2087325585 PSDIDSIXJRGMGO-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)cccc2Br)c(F)cc1Br 2094091846 YPBABZXSBGJBEH-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE C[C@@H](CCCCCBr)NC(=O)c1ccc(I)c(Br)c1 2117890579 YPNMOKBZBOXCCH-JTQLQIEISA-N 503.016 5.127 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cccc(I)c2)cc1Br 2137640749 SCRBTZULQYEWPR-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE CCc1occc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468266 IOIOKPCJTVUDCK-LLVKDONJSA-N 580.734 7.376 50 10 KKGE CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCOCC1 2141471617 UHPZQUXGEKSJHA-GFCCVEGCSA-N 540.315 6.833 50 10 KKGE Cc1nc(I)c(I)n1-c1cc(C(F)(F)F)ccc1CCl 2155775581 WRBIMMMSBUPKMA-UHFFFAOYSA-N 526.465 5.148 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(C2)CC2(CCC2)C3)c1Br 2157156888 UGLLEBKUXNJTLO-SNVBAGLBSA-N 547.976 7.832 50 10 KKGE BrC[C@@H](Cc1ccccc1Br)Cc1cc(Br)ccc1Br 2175146932 IZIUUASQKFPRGL-NSHDSACASA-N 525.904 6.770 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(F)cc2Br)c1Br 2201068220 DPEGHOKLRKXYPG-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394679 IMPJXWFGWPPTFF-CPDSJTNBSA-N 564.259 7.605 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2207260777 HRUBYUGPKOHKOA-AWEZNQCLSA-N 550.843 6.806 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1Cc1ccn(Cc2ccccc2)n1 2234056376 HDTDNFJLRHDBGX-CYBMUJFWSA-N 508.645 6.154 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)cc2c1OCCC2 2279293378 OVWZXZKERXTSMC-NSHDSACASA-N 501.465 6.736 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295336373 VQODDLZFWUJQLB-NSHDSACASA-N 550.285 7.445 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 2295672222 COYUTZVUOPEAEA-UHFFFAOYSA-N 537.563 6.881 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 2297555783 VKPJSEKDNMCPQE-UHFFFAOYSA-N 519.689 7.506 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2299500735 IIFWYCDOALWMJT-MHZLTWQESA-N 538.279 8.091 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(N(C)C)cc2)cc(Br)c1OCc1ccccc1Cl 2313511471 YOOJWLVNBHMWDD-UHFFFAOYSA-N 540.845 6.302 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313568805 YUZURNLTEIGXKU-UHFFFAOYSA-N 577.435 5.201 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1 2313571401 VNVDBZVXSKQLCD-UHFFFAOYSA-N 689.118 7.636 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2314476803 WGDVWWCTIMLQOQ-UHFFFAOYSA-N 558.642 5.672 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2314502890 MZBLCPAYCBRPSN-QGZVFWFLSA-N 546.122 7.294 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2 2314571607 INMZVNRKOCFOEF-UHFFFAOYSA-N 511.397 5.982 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592087 LSAWYSYOALMIRK-RUZDIDTESA-N 502.039 6.528 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592236 OOKQIZXBEXPKHW-HHHXNRCGSA-N 527.646 5.721 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314620405 PIKWKHDGTODQHV-XMMPIXPASA-N 649.748 5.891 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2c[nH]c3ccccc23)cs1 2331346686 CUYUNYAQXQCPIT-UHFFFAOYSA-N 510.018 8.030 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(Cl)c2C)cc1Br 2364438142 NVHAXELQPIIAKB-CQSZACIVSA-N 501.871 7.620 50 10 KKGE Brc1cc(CN2CC[C@@H]3[C@@H](Br)CCC[C@H]3C2)ccc1I 2377353118 FUKQEXWNNNLQDI-IHRRRGAJSA-N 513.055 5.439 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 11852122 KBSUIWRLYIZRAP-BOPFTXTBSA-N 524.827 6.955 50 10 KKGE C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 27528171 DCJDHUXJJBUAJW-HRJIBFCWSA-N 502.412 6.132 50 10 KKGE CCCCCCCCOc1ccc(-c2ccc(/C(C)=N/NC(=O)c3ccc(C(F)(F)F)o3)cc2)cc1 33355892 ZKLCTRUJXBNQBE-UZWMFBFFSA-N 500.561 7.859 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 33679663 OSTBBCYALCOILL-NVMNQCDNSA-N 512.349 6.343 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1 34704705 BLAZDPMHXVUMCN-ZRGSRPPYSA-N 506.183 6.047 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 38650902 NAQQQOVFJDXFPM-LJAQVGFWSA-N 504.542 5.712 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651448 HNDLAWRIBVNGPN-DEOSSOPVSA-N 503.396 6.184 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)c1 38684715 OIMCYMMTTYATIE-HKBQPEDESA-N 526.633 6.437 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CC(C)(C)NC(C)(C)C5)c(C)c43)coc2c1 40827021 OIEFTKNPURIEFD-STKMKYKTSA-N 532.685 5.389 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 40845455 HTEDDOVWBBLQSA-KNNQWDAGSA-N 521.639 5.793 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc2ccccc2c1 58892140 YAQXRFQRAVRIKB-LXVMRCOFSA-N 508.618 6.120 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2ccccc2c1 58895162 HDJCRCFRPOFVNT-KMOQAGLRSA-N 522.645 6.510 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100190632 LKDRBMKDCSKHRG-UHFFFAOYSA-N 570.509 5.256 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 100235044 WCTZCDNIPVGOLD-WHXCVRPHSA-N 617.409 5.429 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 100237303 VPHCMFMMFDTCST-KSWAXPHNSA-N 541.988 5.198 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1Cl 100238050 LMQULFHRVAOHJM-KPHTWCJLSA-N 537.056 6.019 50 10 KKGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 100391634 DQOMENJJKPGJRQ-ROMHNNFLSA-N 555.425 5.472 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101334298 IUPIVPVTWJSJEV-ZWFLUXFESA-N 560.629 6.648 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101340919 IWKSLJAANFOMRQ-LPYMAVHISA-N 516.956 5.859 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 101363593 OPMXRIFZATVLNL-SANMLTNESA-N 533.422 5.949 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 101370899 QGZXVLSBGWATNM-DXSBJVNVSA-N 532.210 7.137 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5Cl)ccc43)cc2)cc1 101378530 XCNQEEKLXXXPSI-HKBQPEDESA-N 587.459 7.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(F)cc1 101387397 NXGLKBGSORWJED-GDLZYMKVSA-N 567.529 5.759 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1F 101389132 HEINOMGLSIGUIN-XSJBNIOMSA-N 608.666 6.957 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1c(F)cccc1Cl 101394432 BUVHXGAQFRYMQO-LJQANCHMSA-N 580.251 8.091 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC4)ccc21 101614700 HJARASVVERHLSB-RQRWGXNHSA-N 596.503 6.958 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1c(Cl)cccc1Cl 101692774 MRGJFKSPRXKLKD-XKJRVUDJSA-N 566.279 6.489 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1OC 101713334 NMEBSSWJOKWJLB-YSURURNPSA-N 528.241 5.190 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc2cc3ccccc3cc2c1 103737724 WOCWUZUSDQHQHN-VYVUJPJFSA-N 542.702 8.502 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1 103876787 OLZWOIAQHMZZBR-IPBVOBEMSA-N 552.639 7.498 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccc(-c2ccc(I)cc2)o1 105677849 PBWBXXDSIJSXSQ-LSHDLFTRSA-N 564.386 5.312 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150431706 YILLEPZQVCDTBH-DXTDMJPYSA-N 671.359 6.938 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 150431928 AKUBVWXXJZBQIM-LPSZMKJGSA-N 652.529 6.785 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OCC 150484422 LPAHUGTVHJBVLO-WJOKGBTCSA-N 639.576 8.577 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 150572663 ZJMRJGBUBQWLCU-SAEPALGJSA-N 629.496 7.726 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(F)cc1Br 161104766 ARJVGWDOZPVITC-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205656685 LIFYTCYRFZHQCN-IWWZGYLZSA-N 524.617 6.410 50 10 KKGE CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCCCCCC)c(OC)c2)cc1 206234356 WMJFFEFYHMEPNG-QQTULTPQSA-N 506.643 6.937 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)=C\c1ccco1 254398422 OJPGCYUQPNRAHI-DCLHTABOSA-N 518.664 5.525 50 10 KKGE COc1cccc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1 254480335 YJWNIHAEEUXQKJ-UHFFFAOYSA-N 532.691 5.276 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254768670 BASXSEJLSPNZJS-UHFFFAOYSA-N 546.283 6.037 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 256281173 BLLAWDFADRSHFN-LOHBVJRFSA-N 591.664 6.972 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1080957854 DIMYHZDULFSWLS-HHLONEELSA-N 641.142 11.150 50 10 KKGE in-vitro N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1083913541 ROQTXQVTKRBSSC-UDWIEESQSA-N 650.198 7.353 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 1083942764 DJPYUJCAKDOWPS-MHZLTWQESA-N 547.608 5.274 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084116745 GONVZEWCLAYOCD-UHFFFAOYSA-N 542.705 5.872 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084231385 LGFCMWJHGBWAOR-XMMPIXPASA-N 633.439 5.150 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 1084283242 HJZQASDRKQLBNC-JOCHJYFZSA-N 583.253 6.141 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Br)cc1 1084506943 VYDZSHKSBKUZHO-CXUHLZMHSA-N 508.210 5.184 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccc(C)cc2)cc1 1084569560 YYXZDSLCJSYOFJ-UHFFFAOYSA-N 613.567 6.454 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 1772756062 YDCDPWYXWJNLPE-UHFFFAOYSA-N 519.480 6.243 50 10 KKGE CN[C@H]1CC[C@H](O[C@H]2C=CC=CC[C@@H](C)OC(=O)C[C@@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@H]2OC(C)=O)[C@H]3OC)O[C@@H]1C 1775955312 MGIACLJTFQJLSW-BOAUEJHMSA-N 985.339 5.741 50 10 KKGE in-vitro N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685063 DHIMJFLAJAESGP-MRXNPFEDSA-N 517.697 6.268 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865695050 ILCWIMQZLUXOBL-HSZRJFAPSA-N 513.425 5.816 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865695165 LPXQNEGNPKTBKX-NDEPHWFRSA-N 536.632 6.344 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695715 ROJUDJCLGLJSRN-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700843 FRPRILFQDJYPKA-MHZLTWQESA-N 532.003 6.385 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701071 KYZIJFFMNVPNOK-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701455 VZWCXIRTIRNUFK-SFHVURJKSA-N 560.246 5.417 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865701767 DUPKSIDQRFMMDA-SSEXGKCCSA-N 541.655 6.765 50 10 KKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705067 LEMIZJZPJHZYII-QHCPKHFHSA-N 541.435 5.998 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865710895 KYYUILGLARLWFG-VWLOTQADSA-N 563.441 6.149 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Br)cc1 1865714378 IRMKQMJSIHYIND-INIZCTEOSA-N 527.703 5.723 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866720408 KANJJMMVFNKKPZ-LOYHVIPDSA-N 555.700 6.052 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3ccc(C)c(C)c3)n(C)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866829029 AWZMTTNSMZLOPT-HHHXNRCGSA-N 567.671 5.182 50 10 KKGE COc1cccc(-c2cc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867145482 GXVIHCKPWREOFH-RUZDIDTESA-N 544.658 5.594 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(F)c3)nc(-c3ccccc3)n2)cc1 1868365489 QJUXUAAUFUGPHS-HKBQPEDESA-N 529.644 7.752 50 10 KKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433162 GOINQBFWQKAYHY-GOSISDBHSA-N 514.054 7.453 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745227 YKLITGSQZJCPTD-MCUCDYOISA-N 512.418 6.620 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccs2)cs1 1872750269 FQPJFWQUYXXNBB-ICFOKQHNSA-N 500.399 5.503 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)s1 1922893377 WGUWVXGQQKCPCY-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(CCCO3)C2)c1Br 1924569360 UIWNHZLVAAOWCC-BCIJWEBZSA-N 523.910 6.431 50 10 KKGE Cc1sccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924571660 TXTFTRDBHPSEIT-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE CC1(C)C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924613639 SPVILJNYCVRIBH-XPUUQOCRSA-N 539.953 7.065 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1Br 1943020848 CQIDQQCMWADXIK-SECBINFHSA-N 523.935 7.144 50 10 KKGE Cc1c([C@H](Cl)c2c(Br)sc(Br)c2Br)nn(C)c1Br 2049254974 DKXZIDQIXZQXFD-ZCFIWIBFSA-N 542.316 6.168 50 10 KKGE F[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494209 KNPSUCPOGJJVMX-DFEJBLNRSA-N 528.279 7.155 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@]23CCC[C@@H]2C3)c1Br 2141474360 ZSOACAHFTVKDHN-KZJPANMKSA-N 580.778 7.753 50 10 KKGE FC(F)(F)CCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474849 GENCJHDOBORZSA-YFKPBYRVSA-N 596.699 7.905 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)c(Cl)cc1F 2142288014 HNSLDYUSLQFOFE-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@@H](CBr)C1CCC1)c1cccc(Br)c1 2163057679 DEHPCSDHNGPDHV-QGZVFWFLSA-N 504.307 5.982 50 10 KKGE COc1ccc(Oc2cc(C)cc(Br)c2CBr)cc1I 2173451987 XSEREKHDJQHQAA-UHFFFAOYSA-N 511.979 6.058 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)c1Cl 2201622845 YJACHWBYGUAGDW-ZCFIWIBFSA-N 513.789 6.014 50 10 KKGE FC(F)c1cscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396964 CNCLFNALBKGODN-SECBINFHSA-N 618.755 8.220 50 10 KKGE Cc1c(Cl)cccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397822 NDRRQIPYXMAAQR-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE COCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206399109 CGYBVTMQEBKCDL-CYBMUJFWSA-N 598.793 7.379 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)c(C)c1Cl 2234470622 NGWJKHLNLCWKAH-CYBMUJFWSA-N 501.509 7.644 50 10 KKGE Brc1cc2sc([C@@H](Br)c3cc(I)sn3)cc2s1 2252899795 BPRNECRHTLFFMG-JTQLQIEISA-N 521.062 6.271 50 10 KKGE CS(=O)(=O)c1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2272853062 VPLYGKKRIPQVLY-SSDOTTSWSA-N 529.522 5.876 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)cc(Br)c2)c(Br)c1Cl 2283560995 KTDUYAVPEAEOQO-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)s1 2283581730 IMBKBPIIFANNEI-ZDUSSCGKSA-N 506.030 6.633 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2285945648 JQLKEVBYTBDLLX-ZDUSSCGKSA-N 509.797 7.281 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 2294619861 DCTNLRPKKDKVCF-UHFFFAOYSA-N 556.254 6.023 50 10 KKGE Fc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Br 2295334850 BSEYEKKKMHEXOZ-NSHDSACASA-N 550.285 7.445 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(=O)OCC)c1C 2296789934 CFRMJXPXPUCVIG-UHFFFAOYSA-N 523.680 6.709 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1 2297458607 KBWUJVCHEQDSKR-QHCPKHFHSA-N 597.332 6.585 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Br)cc1F 2297551414 ILDNFYPFDZKBEQ-UHFFFAOYSA-N 530.191 6.475 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313565332 RQQZCUUSONEYCA-UHFFFAOYSA-N 527.422 5.156 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 2313567848 MGVZDEDSLKNFQJ-UHFFFAOYSA-N 505.387 6.750 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570638 BPDDWERSADJXLR-UHFFFAOYSA-N 519.020 6.463 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314449498 QOLOPCZAQOXALE-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592245 OWOAUUKWRUPDNB-VWLOTQADSA-N 567.589 6.178 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593909 VWNKCIRAEPEIQL-BCHFMIIMSA-N 532.065 6.042 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594125 ZKJBEZNUCXWTHA-DEOSSOPVSA-N 540.472 6.452 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314618018 FYVHKTIOQAWKFN-UHFFFAOYSA-N 591.671 6.614 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 2314738003 FOQQPZOCNYVBSM-UHFFFAOYSA-N 540.616 5.643 50 10 KKGE C[Si](C)(CCC(F)(F)F)O[Si](CCC(F)(F)F)(O[Si](C)(C)CCC(F)(F)F)O[Si](C)(C)CCC(F)(F)F 2325712164 BKGOYPSHYQSACY-UHFFFAOYSA-N 638.787 9.400 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3ccccc3c2)cs1 2331238762 SYYDTDKMZDUTOB-CQSZACIVSA-N 511.828 7.639 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)COc3cc(Cl)ccc3Cl)n2)cc1 2331345532 RELASMPHFZCLMK-UHFFFAOYSA-N 517.478 8.338 50 10 KKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Cl 2336049273 BBWCRIOLYQVAII-HXUWFJFHSA-N 502.580 7.444 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)sc1Br 2337082458 MELXBXRGMZBACK-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1Br 2339649658 XNIJDKDHRDUOST-LBPRGKRZSA-N 515.840 6.906 50 10 KKGE CS(=O)(=O)c1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361177521 JXTCDVRTZYNTMB-NRFANRHFSA-N 510.247 5.916 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 8386112 LJHAGWBOHJEJCC-KEQPYLSLSA-N 577.660 5.492 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 16739791 ZJOLYYLRFOXWMF-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(F)cc2)cs1 35519506 QITRCEXAVVDTNT-SXGWCWSVSA-N 507.528 5.396 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 38606633 SKSQYYZMPWLYQD-HZHRSRAPSA-N 509.002 5.337 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 38701303 PKZDHTVTRJYZKF-WUFINQPMSA-N 512.562 5.219 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1cc(C(F)(F)F)ccc1Cl 40682721 KJGKBSXWRSBHKZ-UHFFFAOYSA-N 512.923 5.750 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1cccc2ccccc12 58892130 VUTNENQCQMAWDP-NKCUHTBRSA-N 508.618 6.120 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O 59336458 JLQMSOZFYZTHFF-WDZFZDKYSA-N 503.123 5.248 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 59485097 OTDXABGUAIEOGC-JAIQZWGSSA-N 511.803 5.913 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 100083304 HVNFFZNCJKLFBX-NSHDSACASA-N 547.302 5.156 50 10 KKGE COC(=O)c1ccccc1-c1ccc([C@H](Br)[C@@H](Br)c2ccc(-c3ccccc3C(=O)OC)cc2)cc1 100221864 MXTJPALAYURKDE-NSOVKSMOSA-N 608.326 8.166 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 100235430 LMUVPIBZPJWFLP-JFFJSXPNSA-N 575.887 6.053 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2ccccc2c1 100238130 ZRZYVTJLSFWXTE-HVAMYGNZSA-N 552.671 6.519 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034350 WLRVJGFNSAQXJN-RQZCQDPDSA-N 547.017 6.108 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242211 PJXRIDIRNOEBEQ-OGCOBRASSA-N 540.472 6.452 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244410 OUYIZNSNPLIBPT-MIXNUDJGSA-N 522.457 6.621 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101333382 DPMKUNSVUNSYQI-MTDXEUNCSA-N 522.649 6.417 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101339398 CDIRCYFJFCZPMO-RUMWWMSVSA-N 631.758 5.815 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362611 RESMCUUHOHQDMX-GHRAFVERSA-N 546.623 6.419 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101368888 CTHSBUYXICDWQY-CXFPURGVSA-N 533.378 5.303 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379979 WKHNUNMLJBAQKS-HKBQPEDESA-N 587.459 7.083 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(C)cc2)c1 101382468 PWYZKUNLWAQJHX-HKBQPEDESA-N 532.596 6.410 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388290 IXRVWYOFZCVUIR-UUWRZZSWSA-N 611.094 7.137 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101388846 MWEOTYOELYXFDP-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101391937 VXYUYSNUQZMPQY-NRFANRHFSA-N 562.261 7.952 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c(OC)c1 101392225 JHZJMRZEHPLEHH-AREMUKBSSA-N 530.964 6.158 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397642 XSMGXZHYLVMLJS-LOYHVIPDSA-N 566.997 5.883 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2c1 101397712 AYNRSHOLSOOEJH-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399653 KPZABJMNWGQENU-PGUFJCEWSA-N 614.698 8.082 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 101603455 NPBGYQVJJFHTFV-TWKHWXDSSA-N 528.392 5.794 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 101713675 KARUFRGEDQMYFS-QXUDOOCXSA-N 587.514 6.892 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 101775384 HMLKPLBXXJNJRY-XSFVSMFZSA-N 541.025 5.393 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)/C(C#N)=C\c1ccc(-c2cccc3ccccc23)o1 102406638 AIALTFNMJBFSSS-WCTVFOPTSA-N 513.722 10.031 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccc(Br)cc1 102935134 AYLJWQUOUVZJER-UNOMPAQXSA-N 552.381 5.889 50 10 KKGE Cc1cccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCN(C(=O)C(Cl)Cl)CC3)c2C)c1 103211090 YGSKBZMWIBISQH-UHFFFAOYSA-N 504.845 5.503 50 10 KKGE COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103742161 VEABBUZZTGLKHC-ILZYZTJVSA-N 565.113 6.191 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OC 103878508 IGFUDCWGHNIZEU-UXHLAJHPSA-N 532.438 6.386 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCC(=O)Nc1ccccc1 104800083 IWYUDRGODYBCGV-HAHDFKILSA-N 585.641 7.160 50 10 KKGE Cc1ccc(/C(CSc2nc3ccccc3s2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 105566562 XCMOZWRXRLPQEZ-QLYXXIJNSA-N 521.580 5.656 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484918 BTHOOLCGNBZXRK-ICOWSKBVSA-N 668.360 8.725 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 160692851 IWCLVDCIOAHHQU-HASSKWOGSA-N 651.213 7.897 50 10 KKGE CC[C@@]1(C)[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 227236797 PRFLYHAVMABXJO-NTZNESFSSA-N 505.870 6.305 50 10 KKGE CC(C)(C)c1ccc([C@H](Br)c2cc(I)ccc2Br)s1 232512090 LMOXJMIGSRNQAM-CQSZACIVSA-N 514.064 6.897 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nnc2-c2ccccc2)cc1 254472995 XEJPFJYBGZZJAX-UHFFFAOYSA-N 563.683 6.154 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 254652836 FBZZHLGGENBZGK-UHFFFAOYSA-N 513.619 5.447 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc3ccccc23)cc1OC 254906498 UWJXGHHYXUPQKJ-UHFFFAOYSA-N 534.568 5.759 50 10 KKGE ClCc1nc2cc(Br)cnc2n1-c1cc(Br)ccc1I 312225448 DBJBZISESSJBEG-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Br)cc(Br)c2)c1Br 380300009 GDTAUGSIHQSJFT-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OCC(Cl)COC(=O)CCCCCCC/C=C\CCCCCCCC 605693202 DAZPTUUOSKRURB-CLFAGFIQSA-N 639.446 12.755 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)cnn2C)cc1Br 693061627 NQXMQSJCGCDPHY-NSHDSACASA-N 501.842 5.500 50 10 KKGE Fc1cccc([C@H](Cl)c2cc(I)cc3c2OCC3)c1I 721707572 YXYGPTGCLRTOKG-ZDUSSCGKSA-N 514.503 5.298 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)c(F)c1F 721721079 YAVLDOWINWAZET-JTQLQIEISA-N 523.887 6.094 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 1083818480 XORYGFNCJVGENP-GLBOMYLVSA-N 795.014 9.608 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1083990386 MYDHYCOCBWXJQT-OALUTQOASA-N 601.666 5.505 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 1083996770 VDHFNVXYLLKRNW-JOCHJYFZSA-N 580.704 6.408 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1cccc(Br)c1 1084216027 NJTGEVIGRGTYAL-UHFFFAOYSA-N 608.521 7.282 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 1084308610 NGUIHKJCHRQAFT-HSZRJFAPSA-N 637.312 5.995 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1Br 1084439234 LAVRGHWZKUFFCX-UHFFFAOYSA-N 645.971 7.080 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084467438 LPIQIEZHQKLNJO-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(C(=O)O)cc3)cc2)c2ccc(C)cc2)cc1Br 1084616720 FMRQCTUIHLECHI-UHFFFAOYSA-N 636.524 5.624 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1 1084632393 YBEHBHBECKXJFP-HZHRSRAPSA-N 642.335 6.197 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccccc2OC(F)(F)F)C1 1614627000 TVXSQKKPZHSBFF-NVXWUHKLSA-N 505.274 5.372 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 1614653256 YYCUWXRBZPABBE-FUVRYODWSA-N 509.675 6.422 50 10 KKGE CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 1615811082 ABUHPHDFZWIMHE-VOGQMAIVSA-N 540.785 7.810 50 10 KKGE biogenic COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)c(OC)c1 1772749829 PWEQYMWMOIIOFU-UHFFFAOYSA-N 546.407 5.400 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687605 VSKJLTUESMCZRI-SANMLTNESA-N 547.442 6.547 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865691185 LVBKCJLAPXDDLF-QHCPKHFHSA-N 537.458 5.662 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc2ccccc12 1865691413 RCANFXUMQZQUDP-LJAQVGFWSA-N 526.596 6.484 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865693505 ORWHSYHJILSFRJ-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865694131 UOFZOULFUUADJV-VWLOTQADSA-N 526.568 5.372 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698356 QULMXJMGJQNABT-HSZRJFAPSA-N 555.448 5.799 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865700808 DTUWPKVUKJRIRO-HSZRJFAPSA-N 571.386 7.304 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865703350 UNMWGFWIVQPJQK-AREMUKBSSA-N 510.569 5.753 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704190 PSGIIGSNSCYAIG-MGBGTMOVSA-N 560.657 7.798 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)cc1 1866678287 PXMWSXQEXMAJGT-SANMLTNESA-N 512.591 5.271 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866767106 DHIMFUKYBHZBAM-KAYWLYCHSA-N 515.679 6.073 50 10 KKGE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866792821 WMQMNCAVOLYOSL-SANMLTNESA-N 501.652 5.698 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072654 ZYEWIUNLNGUNHN-RUZDIDTESA-N 542.686 5.691 50 10 KKGE COc1ccc2c(c1)C[C@@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868545085 QVFYJCPNYIWUOS-OAQYLSRUSA-N 535.717 8.097 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 1872750542 GSKDIOXRPKYXOM-PAEYTKSYSA-N 501.608 5.740 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872754025 YVNMNBKDGPOJPT-XMSLFVONSA-N 509.414 8.169 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)cc1Cl 1872756355 IOECMUQHLDLOCE-BKUYFWCQSA-N 503.920 5.356 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccccc1 1872780934 PUFXHVQWKCAAGN-HYARGMPZSA-N 517.448 7.614 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071144 GXSCVBQHLNFYQI-ZETCQYMHSA-N 544.353 7.543 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(F)c(F)c1F 1923072007 MKSJXUUWDIZSQN-RXMQYKEDSA-N 517.361 6.967 50 10 KKGE Cn1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)n1 1924572524 ZKDYWRZJRBORBS-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(I)c1 1924595807 FADGXMJZEXGKSZ-SECBINFHSA-N 589.287 7.108 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1ccc(Br)cc1Br 1925590707 ZJEIZRKNXKATIH-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C23CC(CCO2)C3)c1Br 2019895623 QNSXTLBQWUVBRB-GBZMYTLWSA-N 509.883 6.041 50 10 KKGE CCc1cccc(CC)c1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3S2)nnc1-c1cccnc1 2042439476 LHOXQLJUUKKJBT-UHFFFAOYSA-N 524.675 6.068 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2048340800 VHWWRKZLKBLGMR-CHIQAWFVSA-N 521.938 7.298 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2CCCCO2)C[C@@H]1C[C@H]3O 2070206445 QENLZIAWWAHCNU-QYWWZSIYSA-N 590.962 8.493 50 10 KKGE C[C@@H]1COCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471345 QIVRYBWHVJJHMI-AMXGMDGSSA-N 584.766 6.845 50 10 KKGE CC[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141474208 YGUUUKHFNHJZSG-OLZOCXBDSA-N 584.766 7.132 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]4C3)c1Br 2141474266 YPNGIHYAPLDGJJ-ZDHPNQEHSA-N 578.762 7.075 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2ccc(Br)cc2I)cc1Cl 2142292941 ZCHQUXABLVHYKS-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 2202351750 KGCOLJXYGVIXCA-CQSZACIVSA-N 550.843 6.853 50 10 KKGE FC(F)(F)CC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206396633 ZAJNUXGDWFTFDJ-SNVBAGLBSA-N 564.259 7.749 50 10 KKGE C[C@@H](CCOCc1ccccc1)n1c([C@@H](C)Cl)nc2cc(Br)c(Br)cc21 2225684606 CLFXKERXKFESSC-UONOGXRCSA-N 500.662 7.029 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2227350754 IRVMELWVKDFQIO-LBPRGKRZSA-N 552.351 7.790 50 10 KKGE C[C@@H]1CC[C@@H](C(C)(C)c2sc(Br)c(Br)c2Br)[C@@H](Br)C1 2230061826 MNOFRHNMSVPPHE-HLTSFMKQSA-N 537.981 7.513 50 10 KKGE C[C@H](C(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2247453752 BZFZKKCYVSOPGQ-KTCWOMIQSA-N 520.231 6.918 50 10 KKGE Clc1ccc([C@H](Br)Cc2ncccc2Br)cc1I 2256338913 MEEWBIKQAUZWFH-SNVBAGLBSA-N 501.387 5.781 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 2270432764 TZNPUNKSIPQYLZ-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE C[C@H](Br)CN(C(=O)c1cc(Br)ccc1I)C(C)(C)C 2272451493 JPNTUFCJSOIGTR-VIFPVBQESA-N 503.016 5.078 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 2272722041 PBYACXJKGPWHRB-VIFPVBQESA-N 560.277 7.405 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619848 BATHQWOEBMKIJF-UHFFFAOYSA-N 523.641 8.061 50 10 KKGE CC(C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)=Cc1ccc(C=C(C)C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 2296647319 UPRMNWRERHRDHA-UHFFFAOYSA-N 735.026 10.283 50 10 KKGE CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21 2297455786 XEJZACOQLZHDHW-UHFFFAOYSA-N 608.290 5.401 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2299504721 PNLYJMYBMAJTQQ-GOSISDBHSA-N 531.107 7.645 50 10 KKGE N#CC(=Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 2313557240 XTSQMWXFVDLVES-UHFFFAOYSA-N 516.960 5.244 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C4=NN(c5ccccc5)[C@H](N)[C@H]4C#N)c3C)sc3c2CCCC3)cc1 2313565042 NWVYKBFLVZHNGV-ZQAZVOLISA-N 599.764 6.803 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1F 2313565281 DNSQTSRAFIZZHX-UHFFFAOYSA-N 542.348 5.241 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314452305 LVUTVCZOWVMGDO-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 2314476665 SVJNLUBZUBQSHU-UHFFFAOYSA-N 541.051 7.316 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)NC1CCCCC1 2314478653 QAXYAWVONLYVAE-UHFFFAOYSA-N 537.063 7.128 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594108 ZDKXLIJDCZAKCF-NFQMXDRXSA-N 530.093 6.767 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 2314618803 UQAVKQUXQFGXJC-UHFFFAOYSA-N 536.632 5.431 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 2314643123 CKOIOEKGHIHQPE-YTTGMZPUSA-N 583.015 6.904 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OCc2ccccc2)c(OC)c1 2314754686 YPSGAVDUGRBZRG-UHFFFAOYSA-N 578.621 6.108 50 10 KKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2331254605 FNRSDRWJHNGSOU-UHFFFAOYSA-N 509.258 8.104 50 10 KKGE N#CC(=C(O)c1cccc(N2COc3ccc4ccccc4c3C2)c1)c1nc(-c2ccc(F)cc2)cs1 2331343725 NOFZPYCDCKSWJT-UHFFFAOYSA-N 505.574 7.409 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331362798 RVUFYCVOXCNTFT-HNNXBMFYSA-N 500.407 5.967 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cocc2Br)c1Br 2339658442 IGGKBGGKGPRLCO-NSHDSACASA-N 517.837 6.368 50 10 KKGE FC1(F)CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349807549 IIZXTNGEUGCGGA-GHMZBOCLSA-N 507.982 6.185 50 10 KKGE FC(F)(F)[C@@H]1C[C@H](Br)CCN1Cc1ccc(I)c(Br)c1 2377313724 DMKSMIWKXXQWEE-SKDRFNHKSA-N 526.960 5.344 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)c2)cc1 35446176 MFCJVGCCOPNTOY-CEUNXORHSA-N 524.624 6.650 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC 38684290 AMNSLFHLJAMFCE-GDLZYMKVSA-N 512.606 6.400 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 38688347 YJKJMPBWLQRHFT-JOCHJYFZSA-N 501.753 6.093 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 59202008 XIJBFUHOXIDANG-HYARGMPZSA-N 505.412 6.589 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 59460586 AHMBBHYXOWQTJZ-PLRJNAJWSA-N 511.357 5.425 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(F)cc1 59680305 HIWIWKCTRMVEHR-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 97984991 FVABYXDNFGEKKN-UZKGQRLGSA-N 524.499 5.466 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCCC(C)C)cc1 100189235 ASWAYMGWBNAJNG-UHFFFAOYSA-N 536.492 5.002 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 100233670 JHPCFGCTYMKEHG-LCVHJTKWSA-N 575.887 6.053 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 100234820 COIFMBWUECFJOM-BATDETSNSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 100236340 JCHMWQHTSOXMLH-KVUWKNAUSA-N 529.406 5.530 50 10 KKGE Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 100553714 DOGKYUCNVKQJAQ-BRJLIKDPSA-N 531.204 5.242 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246475 IVXYSDYBRDJTJU-NNHPPCHPSA-N 552.483 6.629 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101369381 ONRYPSWFSDLYND-MUUNZHRXSA-N 573.432 7.622 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1Cl 101370972 OTWDEHPCXTVODI-NRFANRHFSA-N 550.225 7.136 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373606 VJHDERCNZLJMCA-SANMLTNESA-N 539.415 6.618 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101373777 HDDQTSZSGYLLQU-JOCHJYFZSA-N 590.501 5.772 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 101375271 QXXZHOCSBGBPFR-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379692 STHXZQQVKRVXMA-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380003 GLZLZXJCYYZMGQ-XIFFEERXSA-N 581.068 7.245 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384753 VGYSQEWJRKXCDK-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389754 RPXLTPIRLZLLFX-WJOKGBTCSA-N 601.486 7.717 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101395375 KISCQEIIYBJZHF-WJOKGBTCSA-N 566.654 7.373 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCCC(C)C)c3)sc2c1 101396327 JMMDPIDAASEJRK-MHZLTWQESA-N 559.087 7.725 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6c(C)c(C)ccc6c5C)ccc43)c2)cc1 101398286 WUNSYOZMUDOYBP-JGCGQSQUSA-N 570.645 7.683 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1Cl 101727058 PVOPWXKHNFVYCJ-VFLNYLIXSA-N 602.963 7.056 50 10 KKGE C#CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C 103880808 WXUFBNLRQXTONX-DHRITJCHSA-N 516.189 5.462 50 10 KKGE O=C[C@H](c1ccc(-c2ccc([C@H](C=O)N(CCCl)CCCl)cc2)cc1)N(CCCl)CCCl 111444846 GFRHEOMWAJJZSF-PSWAGMNNSA-N 518.312 5.393 50 10 KKGE Fc1ccc(Br)c(CC(CBr)(CBr)c2ccccc2Br)c1 118878933 XGAKNOWCHCAWAK-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433608 OUSXVQZBWDHHOL-PMERELPUSA-N 632.456 7.317 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1Cl 150461227 NMFXUHDJTSEARP-MGBGTMOVSA-N 677.556 8.726 50 10 KKGE Cl[C@@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155256647 RURHTVYUFCHLKL-VXGBXAGGSA-N 614.430 5.819 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OCC)c1 206499584 DIKOBVLXAKTJNV-ALXOLRSRSA-N 541.600 6.070 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(Br)cc2Cl)c(Br)c1 236020506 CJOBPHMKIKBYRX-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE COc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC[C@H](NC(=O)C3CCN(C(=O)C(C)(C)CCl)CC3)CC2)cc1 252467608 VLGRGALQBONMDK-MCZWQBSQSA-N 568.158 5.269 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 254593129 LKRZIHJPWYDQGY-UHFFFAOYSA-N 586.714 5.500 50 10 KKGE CC1(C)[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 310439220 VSNCAQTVWJHZLH-ZJUUUORDSA-N 541.392 5.490 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Cl 380647572 YLPOEMBOFHLERW-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 575232633 KNWRANWQYPIVSF-RHZNFOOQSA-N 641.540 5.967 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1 725406520 DRNGWHBQBJACAF-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1O[C@@]13Oc4c(cccc4P(c4ccccc4C)c4ccccc4C)C[C@H]1CCC[C@H]3C2 936069278 TZSIXTZWBQWSIB-YDBHJEANSA-N 716.842 9.119 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 1083935415 JRSWCYNBUGBYFP-UHFFFAOYSA-N 569.547 6.796 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2cccc(Cl)c2)cc1 1084389286 BSGHWAMZTINNBN-UHFFFAOYSA-N 625.534 5.665 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cc2ccccc2o1 1084479189 JOWUMIGHYVVDGF-UHFFFAOYSA-N 501.739 6.331 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)NN=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 1084604080 CAGOOIJVCUBDFY-NIRLGUFMSA-N 696.001 6.564 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718571 HUENDTWGORXFCR-UNADZTKGSA-N 567.926 6.062 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743731 KKKGDQIRQYHHJH-UHFFFAOYSA-N 523.412 5.683 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1c(Cl)cccc1Cl 1772756499 DYWFKLFKVMSNRR-UHFFFAOYSA-N 600.724 7.143 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682745 WSRVEFSGLRXUQY-VWLOTQADSA-N 511.025 6.717 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686266 SXLMWWFYAYKARR-JOCHJYFZSA-N 521.379 6.271 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OCC 1865686843 CFUMDWYSYKKXTN-VWLOTQADSA-N 551.485 6.383 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865687345 PBAPVICOUABQBM-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865692734 HTIARJSZOVWUMZ-HSZRJFAPSA-N 543.421 5.927 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)c1 1865693102 HODDKYPBKWDDOS-AREMUKBSSA-N 510.569 5.753 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OC 1865694858 DIKFPICYFNURHK-GDLZYMKVSA-N 544.611 6.327 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696249 LGGYTZNTOIPBME-AREMUKBSSA-N 555.506 7.317 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865697136 NYXDTMNGYFQIQW-DEOSSOPVSA-N 545.437 5.976 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698644 ZLMLZZAHERFJHY-HSZRJFAPSA-N 537.458 5.910 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1F 1865702646 YGDWLLZRXCAZIA-JOCHJYFZSA-N 535.804 6.372 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1865711044 OPGHXNFIKGOXFF-IBGZPJMESA-N 500.402 6.281 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865711718 GNBJIASLZTXBEE-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)ccc2I)c1Br 1922945069 CEZRXTWJVGYZKP-SNVBAGLBSA-N 585.324 7.277 50 10 KKGE CCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)o1 1924583949 RAPWSBVTYZABPT-QMMMGPOBSA-N 507.867 6.675 50 10 KKGE O=C(N[C@@H](CBr)CC1CCCC1)c1cc(Br)ccc1I 1926734329 CPWGIQNBCWIXKY-GFCCVEGCSA-N 515.027 5.127 50 10 KKGE C[C@@]1(CI)CC[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)O1 1989167351 VNGHPZXZCLMYEW-OZXSUGGESA-N 514.403 6.890 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cn(C)nc2Br)c1Br 2083334058 LDSLDLYGPHZPMX-NSHDSACASA-N 501.842 5.500 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2203001469 LYRWFYYOLLSNOR-ZDUSSCGKSA-N 548.294 7.120 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206407409 CFGMYTIDZRIIDP-CYBMUJFWSA-N 676.060 8.590 50 10 KKGE O=C(c1ccc(Br)cc1I)N(CCBr)Cc1ccsc1 2207272606 OIPZPIUXSOZRIP-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2225615123 CWQLFAASFWPDMH-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Cl)c(C)c1Br 2235603068 GWXYZVZOULGGCM-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE CCc1cc([C@@H](Cl)c2ccc(Br)cc2I)sc1Br 2255976152 ADENXZOZGZRWJC-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1I 2256334900 CWFCTRLCGLBNHF-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(Cl)c2Br)c1Br 2267981878 BPYRQLRDQYZTGD-ZDUSSCGKSA-N 532.295 7.420 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1c(F)cccc1I 2282782376 BBPKVJDMIXVEKV-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1C 2297487585 VRHLXIFTMOYJJK-UHFFFAOYSA-N 569.525 5.741 50 10 KKGE CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)OC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2297616437 QKNVVRIXCFAAPG-UHFFFAOYSA-N 582.869 11.119 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 2313545974 SPCBVBJQZCPOND-UHFFFAOYSA-N 613.559 7.830 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1 2313567517 KVKLNWNELPSZFA-UHFFFAOYSA-N 513.641 6.403 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313630726 FRAXFUFWYPJMAF-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631293 NOKKCQWMGAIUPY-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314610391 HNNURMIFGJZKLS-UHFFFAOYSA-N 577.084 7.164 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314611121 RAPFSDPVCKZVAL-UHFFFAOYSA-N 514.585 5.649 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314616489 BZEPWUPNUKTLTQ-UHFFFAOYSA-N 547.438 6.682 50 10 KKGE COc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314618952 XIARLBLWAIUHFR-UHFFFAOYSA-N 509.002 5.335 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 2314646741 LUYBCDIXJFOGDB-WJOKGBTCSA-N 731.230 6.697 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OCC)c1 2314772572 KHGWDUWPJDNTTJ-UHFFFAOYSA-N 544.442 6.206 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc(Br)c1O 2321242165 COKDLSBWBRNNDE-UHFFFAOYSA-N 509.187 5.604 50 10 KKGE COc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1cccc(Cl)c1 2328796675 TXKXGLPKOLLBHS-NRFANRHFSA-N 504.027 5.317 50 10 KKGE N#CC(=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051500 BPZNZXWAFDDMOF-UHFFFAOYSA-N 526.552 6.950 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccccc2Cl)cs1 2331265891 MEDOZFOJQYEVLS-UHFFFAOYSA-N 511.990 6.252 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 2331318558 ZPNINJCFRNTWGM-UHFFFAOYSA-N 507.571 6.349 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(OC)cc3)n2)cc1 2331345476 NNNDYNQRWXLXFY-UHFFFAOYSA-N 506.668 7.820 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2333227923 NXUDOCUNEVFUGK-WEPGSUFJSA-N 618.822 7.805 50 10 KKGE Cn1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)n1 2337098923 TXJRBAWGUQXEPI-QMMMGPOBSA-N 540.250 5.984 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cccc(Br)c1Br 2360498267 YFZORYHJJGTKPW-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE ClCc1ccc(Br)c(Cl)c1OCc1cc(Br)cc(Br)c1 2362208863 FSMZCLWMULNBLS-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE CCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 38180200 NRMVASNTGLGCGY-QCWLDUFUSA-N 513.395 5.473 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1OC 38658920 WJORUZUEBOQYHR-VWLOTQADSA-N 520.969 5.177 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38660143 PNSNNDHWYZBRFU-GDLZYMKVSA-N 528.605 6.099 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1 38687579 KMZKGTPSBVWTRM-AREMUKBSSA-N 504.970 5.965 50 10 KKGE Cc1cc(O[C@H](C)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc(C)c1Cl 40960471 SPBKCJXTRPZYCQ-UETRGQPKSA-N 515.835 6.216 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 100237416 YGZJEZKWNBYMSK-LPSZMKJGSA-N 561.078 6.834 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)cc1 100237624 ZMESAXZICKNUAO-DVMDLWDRSA-N 613.452 5.113 50 10 KKGE CCN1C(=O)/C(=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(OC)ccc21 100870137 OEJRCJUBUZTSGM-QCWLDUFUSA-N 529.394 5.174 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccccc1 100883495 ZEVYXOGYDKZVGJ-DIBXZPPDSA-N 545.042 6.995 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246269 BLRCSCAIWRDZJL-OKBUYZRPSA-N 552.483 6.766 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101333373 UVTIUZUYRSWCNN-DCDUZGPOSA-N 611.768 5.742 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337607 QSNWBXHWEBVSQF-UJUJBVAOSA-N 546.602 6.431 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101338610 SDIJDNMGGAWVKP-NDZAJKAJSA-N 589.095 7.307 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 101339386 MZRHBQQHSWRYED-JVWAILMASA-N 544.611 5.657 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101340444 CHMNYKPRUPKBOX-CVKSISIWSA-N 546.558 5.242 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 101368134 NSZHETYMNJGQPH-WJOKGBTCSA-N 542.632 6.029 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)c1 101369036 PKTCUFXFMSNKRH-DEOSSOPVSA-N 521.367 5.294 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379000 RIWBJWCRFZRRTK-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OCC(C)C)cc5)ccc43)c2)cc1 101382258 BOABXNKCEIHHIY-MGBGTMOVSA-N 560.650 7.046 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383355 UFBMAPRSGLYTBS-JGCGQSQUSA-N 559.021 7.510 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101385497 KWASJULQCZFLBG-DIPNUNPCSA-N 608.694 7.538 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101394580 CEFPTCCHLOQZKS-MHZLTWQESA-N 581.452 6.793 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101397829 KGBQAORLLUWGQH-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399180 RLXNWLITSLQNTO-YTTGMZPUSA-N 607.062 7.728 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405779 IXSQKKGSLJSIBW-VJOZSWGJSA-N 553.423 5.170 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)cc1Cl 109836104 QTLJIBLKGGDDFO-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 109869742 ZZNURMQIWXYHJO-JTQLQIEISA-N 524.297 7.173 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 150488650 AXEOXKHIFDDYSY-RGVLZGJSSA-N 678.264 6.281 50 10 KKGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164645615 OGKNGNZCUYEAIV-PGGKNCGUSA-N 697.061 5.110 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 206545771 HNYWSXHOEDLNBH-ULJHMMPZSA-N 522.557 5.067 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214311204 USWUUQOWOVMGHT-GTWSWNCMSA-N 571.681 6.686 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214325509 WYWVTQKNDLBGFT-DETJWLHLSA-N 570.649 5.890 50 10 KKGE CCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530086 DCIQOWDTOXIBKI-PDGOGYCMSA-N 505.227 9.347 50 10 KKGE biogenic CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 254489994 PPEIKEYNQFNFNC-UHFFFAOYSA-N 537.611 6.493 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2OC)cc1 254593121 LGLGAAYCYANQLM-UHFFFAOYSA-N 554.599 5.421 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 254709754 AZDNCFHJDYAYSL-UHFFFAOYSA-N 544.637 5.391 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254855081 DTWBPLPTQYRFDJ-IJXWMGFQSA-N 665.772 6.474 50 10 KKGE O=C(N1[C@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@]1(Cl)c1cccnc1)N1[C@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@]1(Cl)c1cccnc1 256001326 SHJZHHTTXUUMMY-OMICENBGSA-N 849.278 8.989 50 10 KKGE Brc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)sc1Br 302516047 NZHIYLKDMLGJGM-NSHDSACASA-N 578.889 6.297 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCC2)c1cc(Br)ccc1I 308441983 YLCYNBSWFZGNMB-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1O 616584412 BQBSFIGNUFRIKX-KKEPKTHNSA-N 815.037 9.215 50 10 KKGE Brc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(Br)s1 721592126 DWICAYYJCPERPK-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)s1 721593817 LXQDBZCJVHSTJV-LLVKDONJSA-N 550.879 6.670 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085439 AVEUCVNGXYJNAM-WEAUAQJVSA-N 673.041 6.524 50 10 KKGE CCCCN(CCCC)c1ccc(/C=C\c2ccc(/C=C/C3=C(C#N)C(=C(C#N)C#N)O[C@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 888087650 SXFGKYGUYHUANQ-LKAZLVCOSA-N 744.883 11.527 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N 1083939261 KIEOMCODYLVBTC-UHFFFAOYSA-N 633.546 7.829 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Br)cc1 1083987808 IRODYSMUWZJYGY-UHFFFAOYSA-N 644.101 6.168 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1084052533 IOOOUKMZOPETEJ-UHFFFAOYSA-N 650.511 7.274 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084153288 JHDPIBHIGZCASO-DEOSSOPVSA-N 586.439 5.308 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084169106 TXKFAPPFBSGKMP-UHFFFAOYSA-N 504.593 5.481 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1F 1084192848 ZKLVWOQFMMITCZ-XDHOZWIPSA-N 560.250 7.748 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1 1084294811 YRAJTDKVZVDCCF-XDHOZWIPSA-N 560.250 7.748 50 10 KKGE CC1=NN(c2ccccc2)C(=O)[C@H]1C(=NNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 1084328497 OMQNKAIBLFSOGM-MUUNZHRXSA-N 537.019 6.092 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755953 VSEKEVSNFVRTLX-UHFFFAOYSA-N 533.507 6.634 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1OCC 1865687223 MFEXZQPBWQQVQY-NDEPHWFRSA-N 520.633 6.394 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCCc1ccccc1 1865687964 FDDRZHNKEZEWFX-RUZDIDTESA-N 546.549 6.048 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690088 IOVTZMQLUKDFGZ-IBGZPJMESA-N 523.342 6.595 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865691432 RXJNBHXYLGGWJI-HKBQPEDESA-N 562.714 7.401 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccccc3F)cc2)cc1 1865692539 GYAFAADIXXJOLP-XMMPIXPASA-N 534.513 6.195 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696322 ZCUVTGHOGFQHLW-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)c1 1865701549 YADZNQDGGDMAMY-NDEPHWFRSA-N 511.025 6.307 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701551 YBLOZOYPJPTCHB-SFHVURJKSA-N 568.628 5.481 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865703610 CMRKITAZMCQPKB-PMERELPUSA-N 542.639 6.919 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705490 WZFUKORWEUWZNN-HHHXNRCGSA-N 573.024 6.122 50 10 KKGE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867143780 OIXGUWHTGLXHQZ-LOSJGSFVSA-N 536.495 6.468 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@H]3C2)n1 1868300379 DJNKDPJECCMNBS-AREMUKBSSA-N 536.636 5.854 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(C(=O)c4c[nH]c5ccccc45)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433135 FULVDMSELFBUQR-UHFFFAOYSA-N 565.102 7.694 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccccc3Cl)nc2c1 1872728888 ZFXUVAMHCAYPRJ-XDHOZWIPSA-N 501.926 5.427 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Cl 1872756622 SPRLUFQEYDTISX-UZYVYHOESA-N 512.031 6.001 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873940964 PMAMIFZPVLVBJF-GYHWCHFESA-N 508.515 5.464 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cn(C)c(Br)n2)c1Br 1922907214 REWZCJMJMSLOFQ-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)s2)c1Br 1922934313 FIKBPABZELVWMY-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596522 PTHCMIAUBLXDJX-MRVPVSSYSA-N 647.644 8.045 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ns1 1983288707 CJLUZOGLKXOFLK-YFKPBYRVSA-N 575.765 6.739 50 10 KKGE Brc1ccc([C@@H](Br)c2csc(Br)c2Br)c(Br)c1 2024281065 DCYUPNIZJFLFCT-SECBINFHSA-N 568.748 7.282 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=CC(Br)=Cc3ccccc3)cc2)cc1 2042446288 AZCUMIYRMTVHGH-UHFFFAOYSA-N 528.428 5.038 50 10 KKGE CC(C)(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2071924650 UBSUFCPLLOYPEL-VIFPVBQESA-N 523.954 7.688 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2nn(C)cc2Br)c1Br 2083317641 IFOQNYKJLNTTHA-NSHDSACASA-N 501.842 5.500 50 10 KKGE CC(C)C(F)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495342 QEGZPIAYKBQLDR-JTQLQIEISA-N 534.258 7.308 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)sc2C)c1Br 2136373819 GGIIHEIEGTZMFM-CQSZACIVSA-N 531.933 7.445 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)cc1Cl 2139427286 WDRZVNYGARAYTO-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2142279333 OUBGJNLWKVDFPK-CQSZACIVSA-N 579.295 7.262 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3csc(Br)c3Br)cc(Br)c2O1 2150335754 DWBWDXHCQACTJJ-KSBSHMNSSA-N 545.916 6.843 50 10 KKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(I)c(Br)c1 2163750139 DFEPDKCJFCSYGK-ZYHUDNBSSA-N 515.027 5.127 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206394759 JJLYUKBHOJFISN-GFCCVEGCSA-N 662.154 7.809 50 10 KKGE CC[C@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206397258 HDDSZFWZUZDTJX-RKDXNWHRSA-N 598.837 8.635 50 10 KKGE CC1(C)OCCO[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399992 NYOQDNHUBWXWPX-RYUDHWBXSA-N 600.765 6.367 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(C)c(I)c2)cc1Br 2224621277 ASYYNTBXTFFKMW-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225616121 CTOJIDOCIUUNQH-NSHDSACASA-N 519.832 5.639 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)s1 2233034501 ABHSFNIUZIRQCC-CYBMUJFWSA-N 550.481 6.742 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2248216253 RMGQSHAHMNOORI-NSHDSACASA-N 506.428 6.561 50 10 KKGE CS(=O)(=O)C1CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2257524979 KBAUJFRPXLIYMZ-MPKXYMLHSA-N 501.487 5.139 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1COC2(CCC2)C1 2284848780 WUUVABMKAYUJAV-UHLUBPPHSA-N 552.326 6.976 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2293198360 ZPNWKTIRAOCRJC-RUZDIDTESA-N 536.484 6.087 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)S(=O)(=O)c1ccc(Br)cc1 2296724874 VFZYLCGSNQEUPS-UHFFFAOYSA-N 536.407 5.205 50 10 KKGE COc1cc(COc2ccc(C=NNC(=O)Cc3ccccc3)cc2)c(OC)c(COc2ccc(C=NNC(=O)Cc3ccccc3)cc2)c1 2297672201 QRAROORGJBHMHL-UHFFFAOYSA-N 670.766 6.247 50 10 KKGE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)cc1C 2313548514 WXMAZNPDZKCULK-UHFFFAOYSA-N 539.257 5.016 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc2ccccc12 2313567323 IXQUKIRNIRIXFY-UHFFFAOYSA-N 538.047 6.337 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2c(c1)OCO2 2313567989 QULVDEKDUQDMAY-UHFFFAOYSA-N 576.447 5.021 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3ccc(C)cc3)c2-c2ccccc2)cc1 2313568220 PTSLQYWFOHNWLO-UHFFFAOYSA-N 551.646 7.842 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C 2314476251 LNHPDIYWTNMJMU-UHFFFAOYSA-N 647.761 5.057 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591915 HQPYNZABQWHTAJ-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593797 SXBJNDIAFLZDKJ-IQGLISFBSA-N 501.583 5.138 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314617930 DFRXUEDQATYFGO-UHFFFAOYSA-N 558.638 5.747 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)cc1OC 2314793408 RJEYPBDFWNVLQO-GOSISDBHSA-N 521.708 6.987 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2csc(Br)c2)c1Br 2315459092 UBKZTSJRDGCDPB-SECBINFHSA-N 542.287 7.312 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2328796321 BIQYUKDUSVAAMR-SBUREZEXSA-N 504.027 5.317 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328796660 QOPGIKYGEAPWTN-QFIPXVFZSA-N 508.446 5.962 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc(Br)c1OC 2331267034 ZIXLIUVAWKFZGZ-UHFFFAOYSA-N 503.805 6.749 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1C 2331364684 WOHHDLAJSKEQRQ-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE C=CCc1cccc(/C=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1O 2695748 FZJAMPIZVVBNLZ-OKCVXOCRSA-N 544.702 5.311 50 10 KKGE COc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc(Br)c1O 9693518 XOCLTOSJCYTGTA-OAHLLOKOSA-N 506.809 5.036 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38684505 CHRYIFIMZTXYIB-WJOKGBTCSA-N 516.597 6.431 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)oc2ccc(F)cc12 38688289 AYHQNIILKBQUOI-HSZRJFAPSA-N 509.320 6.625 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)CC1 38700970 NNBJQYFNIGJTSE-JZNUIYJTSA-N 532.681 6.850 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1Cl 38701142 YHDWILDTCQYFQK-MHZLTWQESA-N 518.997 6.211 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38701309 PKZDHTVTRJYZKF-IZLXSDGUSA-N 512.562 5.219 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc5ccccc35)CCC4)c2n1 40813619 QCQIXJHWXKNRJI-IWBSIUBASA-N 503.558 6.287 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5cccc6ccccc56)c(C)c43)coc2c1C 40826757 FBTWYOUNSNNTQU-INKHBPHZSA-N 520.585 6.723 50 10 KKGE C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(Br)cc1 100055137 KEOSTLQEBDVAJW-NHDPSOOVSA-N 519.031 5.202 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccccc1Br)c1nc3cc(Cl)c(Cl)cc3nc12 101106566 GWMPUSKOVKROMX-MYODQAERSA-N 534.241 5.315 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242526 ACNTYSBNGZEEJK-YMGIJWJESA-N 541.551 5.440 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362382 LXAOIWUBWDJSMF-LXELRTFISA-N 534.999 6.756 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101367993 TYBXSKNEPOAKKS-XVWBKBPCSA-N 579.480 7.408 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101374900 KLFLBYPSPDJAQI-SSEXGKCCSA-N 546.595 5.852 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101375384 NHKQQIRYKNAFQB-DVXQOWGOSA-N 594.752 8.179 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383766 RIHXCKNNMXYVIL-HKBQPEDESA-N 550.586 6.631 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 101383817 FURQEOVVAKIHTI-GDLZYMKVSA-N 605.449 7.548 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101388815 UAELRIFXXRMZMH-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)sc2c1 101391395 AOQTYOIKUBIGPI-JOCHJYFZSA-N 551.849 7.063 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] 101459278 SSEUDBVXHLELRB-UHFFFAOYSA-N 518.144 5.264 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Oc6ccccc6)cc5)c(C)c43)coc2c1 101620084 WWDZIVUGFGGEES-KJFHWCLQSA-N 561.638 7.395 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 101633065 HUVFLYLOFZETGG-GSIMWQIESA-N 575.684 7.218 50 10 KKGE CCOc1ccccc1N/C(SCc1c(F)cccc1Cl)=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 101649826 YQKBOBNXWDHUBG-ZTKZIYFRSA-N 570.086 6.334 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 102666361 WBXKWOYQUXEBFR-PZHNNBNVSA-N 544.463 7.212 50 10 KKGE Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103741102 KLCXMMQKWNPSMG-IOXBOXJCSA-N 581.696 6.907 50 10 KKGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 103905012 ZOBWNAWPJDVOAU-VRZOZWGSSA-N 597.716 5.856 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150403903 YQNNSBASVFHZDP-SIBAOGJBSA-N 650.782 5.577 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 150484179 JUZUELJDKISLHT-WHXCVRPHSA-N 670.285 5.447 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 232655505 DTVSXTIOMCYCLX-QGZVFWFLSA-N 508.035 6.737 50 10 KKGE NS(=O)(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1cccc3ccccc13)N2 252394299 FNTGWNHFSNXSHE-KNQFCDCNSA-N 566.104 6.434 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O 253983053 VBJGTPSNFOGRFY-UHFFFAOYSA-N 530.606 5.488 50 10 KKGE COc1cc(C(=O)Oc2ccccc2C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 254573135 MIVMQIWAWXLALJ-UHFFFAOYSA-N 540.572 5.128 50 10 KKGE COc1cc(C=NNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)ccc1OC(=O)c1ccc(Cl)cc1Cl 254860458 OHFGLINQIGWYAY-UHFFFAOYSA-N 632.566 5.697 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(O)nc2=O)O[C@@H]1COC(=O)c1ccccc1 616584477 CGFVMKAPZDNEHQ-PXNOLCKYSA-N 662.797 5.755 50 10 KKGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@@H]1CCBr 721614344 AQGZNCRPEUAEMA-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 725413893 QSNLHENHJKJJRN-UHFFFAOYSA-N 522.402 6.772 50 10 KKGE C1=CC(P(C2=C[CH-][CH-]C=C2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=C[CH-][CH-]1 1083815542 PPUNQSFNULOOEG-UHFFFAOYSA-N 622.688 10.250 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1083999671 USJKSXFBKJBLRY-UHFFFAOYSA-N 643.925 8.120 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 1084197611 CKVSRBNQAMQTHG-UHFFFAOYSA-N 536.426 5.725 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084234719 UVIDLYWBBJNDIY-UHFFFAOYSA-N 648.557 8.015 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084357560 FEKVTALJQVFOJZ-UHFFFAOYSA-N 617.093 6.150 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084427202 KTHZGKKKBFHKHY-RQZCQDPDSA-N 638.245 7.030 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1 1084463533 WLGWDEZBNFLKHE-LPYMAVHISA-N 531.837 7.689 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)cc1 1084469478 ZMHWOGQYHJERKY-UHFFFAOYSA-N 816.275 8.767 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CCCc2ccccc2)cc1I 1084611873 PCJPHSBXWYRFSB-UHFFFAOYSA-N 523.374 5.215 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc2ccccc2c1 1084614628 TWQLFWDTAHUATJ-AWSUPERCSA-N 557.694 6.802 50 10 KKGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084653405 ZWPIBKDXRWIWSL-UHFFFAOYSA-N 598.736 5.779 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Cl)CC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538084 QPRLUWUASKOVRZ-NBBPMDFHSA-N 507.268 9.962 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 1772746566 XHALNXRXPSDTKW-UHFFFAOYSA-N 544.007 6.765 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682393 NOVCYQQBMCTYDB-SANMLTNESA-N 508.597 6.262 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688699 YPCYTLHPIJEGJV-MHZLTWQESA-N 527.024 5.936 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865690919 DZXPOLNDHYBTIT-NDEPHWFRSA-N 555.078 7.379 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865691011 HBJKRHBXMRXCBY-QHCPKHFHSA-N 523.431 5.603 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CCC)cc1OC 1865691074 INNWQGKYNYSKSZ-JOCHJYFZSA-N 531.495 6.194 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865691999 HAVCEEQYYNEAQA-VWLOTQADSA-N 546.986 5.635 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696846 RUJJIEXSXNPUHM-HHHXNRCGSA-N 569.533 7.377 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c2ccccc21 1865699457 UTVLSIPFLDALGY-XMMPIXPASA-N 512.400 6.556 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701073 KZQFEPNBTLTKQC-LJQANCHMSA-N 544.247 5.333 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccccc1C 1865703065 LZQNDQMUTKYIJE-LJAQVGFWSA-N 534.660 6.710 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705172 NZHMUEWSMPLINL-GDLZYMKVSA-N 526.596 6.415 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705369 TZXIXGAOXKZOGP-SSEXGKCCSA-N 548.687 6.615 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(Cl)c1O 1865707176 PZHAGTOAQHXWQH-INIZCTEOSA-N 511.287 5.189 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983988 WFPNSDVJICMBKO-RPLLCQBOSA-N 533.650 5.088 50 10 KKGE Cn1nc(C(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1-c1cc(F)ccc1F 1867104640 YGYQHVGMJHLMIC-XMMPIXPASA-N 503.534 5.048 50 10 KKGE Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867232309 QYTYWZCVWWFPKT-HSZRJFAPSA-N 508.441 5.239 50 10 KKGE COc1cc2c(cc1OC)[C@H](c1ccc(C(F)(F)F)cc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868480365 LUGSPWNXKIBPNT-LJAQVGFWSA-N 577.632 7.290 50 10 KKGE CC(C)(C)CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1868544830 LMRNMTZYLKAMNF-UHFFFAOYSA-N 514.743 6.926 50 10 KKGE C=CCOc1ccccc1OC/C(O)=C(\C#N)c1nc(-c2ccc(OCCCCCCC)cc2)cs1 1872753062 GHNPGDFTISLFBT-LCUIJRPUSA-N 504.652 7.596 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc(Br)c1 1923049474 LYSWNITTXMYZKJ-MRVPVSSYSA-N 524.297 7.173 50 10 KKGE CC1(C)CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924592133 WYOUQRPARLKBEW-VXNVDRBHSA-N 523.954 7.688 50 10 KKGE COc1sc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 1946721851 RKILOCUSABOMSA-QMMMGPOBSA-N 525.907 6.590 50 10 KKGE Clc1cc(I)c(Oc2cccnc2CBr)c(I)c1 2029341408 VZZXHTIWVUZOEQ-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCCC)OO 2059663309 VZVJELKWXFHACO-MYWIMKJPSA-O 843.157 12.157 50 10 KKGE Fc1cc([C@H](Br)c2ccc(Br)cc2Br)ccc1Br 2083335317 RXIWGRBQCCWRFV-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1Br)C1CCCC1 2092266223 UUHXXCWOJIFLCW-UHFFFAOYSA-N 517.925 6.721 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141473091 KZFLKRPJVALYEF-OPVBNTEQSA-N 584.766 6.988 50 10 KKGE FC(F)(CC1CC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473677 RZBNDVGTDBCIEL-NSHDSACASA-N 590.720 7.608 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)ccc1I 2142141557 WGJBDVBXEKNFSC-CQSZACIVSA-N 518.389 6.639 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1C 2206397568 KURHTWNHNXUBNC-CYBMUJFWSA-N 590.773 7.838 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399496 IKXJGHVVTJVQQJ-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE CC(F)(F)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206400836 STVDTIVAANLLCU-LLVKDONJSA-N 604.747 7.998 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csc(I)c1 2213491106 ARIPUUJKDKUYDZ-NSHDSACASA-N 554.842 6.501 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(C)c(C)c2Br)cc1I 2253509113 MQRNPIUKZBESDB-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198218 KWHGGSNGLINKGV-OAQYLSRUSA-N 542.842 5.438 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1csc(Br)c1Br 2295378853 UIWXMYKBPGUJGT-LLVKDONJSA-N 523.899 7.334 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 2296506823 GUKCINIYVVROFO-JOCHJYFZSA-N 563.293 7.365 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OC(C)(C)C)c1C 2296790089 NPCCQCXZYITEFK-UHFFFAOYSA-N 523.680 6.905 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2296854744 STXUEXBIIWLYLK-SFHVURJKSA-N 553.423 5.170 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2sc(Cl)cc2I)n1 2300956901 HACJFDMOVZYHLV-MRVPVSSYSA-N 510.420 5.469 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2sc(Cl)cc2I)n1 2300956902 HACJFDMOVZYHLV-QMMMGPOBSA-N 510.420 5.469 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)sc2c1CCCC2 2313568664 XRVDIGVEMJJPIP-UHFFFAOYSA-N 542.705 5.467 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314463481 YZBOBPDOWCNNLC-OAQYLSRUSA-N 527.627 7.269 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593263 KLBDIGNUQALGRI-PPHZAIPVSA-N 564.538 7.420 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314618015 FWYYIUHPAGODGW-HSZRJFAPSA-N 504.546 5.057 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634527 FLMJMWFGBFXODY-GDLZYMKVSA-N 531.008 6.364 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644621 XDJAGNIBJMJYQH-UUWRZZSWSA-N 643.523 7.817 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)c(Cl)c3)nc(O)c2cc1OC 2331044528 YFMASLHDIDRGBP-UHFFFAOYSA-N 508.361 6.303 50 10 KKGE CC(C)C[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331251010 GXRVGUKKEVSUFU-OAQYLSRUSA-N 512.418 6.620 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4)cc3)n2)cc1Cl 2331398336 ISZHTMTWUMPURE-UHFFFAOYSA-N 501.007 7.557 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)c(OCC)c1 2331473928 PCBPKRYBYKUSEC-UHFFFAOYSA-N 501.402 6.148 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2337088076 HRAJGIDBLQNCPO-VIFPVBQESA-N 532.281 7.810 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCCCCC[C@@H]21 2354874572 CDJKPCHJMLPBQD-QISWUMQESA-N 505.541 7.922 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)CCOCC1 2361167343 BPHVNMWNWZBRPO-SFHVURJKSA-N 508.172 6.823 50 10 KKGE Fc1cc(Cl)ccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228238 BRKGRPBAQAKSJZ-LLVKDONJSA-N 509.797 7.281 50 10 KKGE N#C/C(=C/Nc1ccc2oc(=O)ccc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 1791753 WXWNHRFTCKUDQG-PTNGSMBKSA-N 518.348 5.762 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2ccc(I)cc2)c(C(C)C)cc1Br 3167548 MHYQGTJESWYYAX-LSHDLFTRSA-N 515.189 5.015 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)c1 29491698 DQWVGJGNKCLJQU-YYADALCUSA-N 597.741 6.294 50 10 KKGE N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 33742634 GKJGBDGFDHNDNE-PDGQHHTCSA-N 508.430 6.930 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCc1ccco1 35446074 PVECCMMYDUOWMN-LFVJCYFKSA-N 518.548 6.074 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1OCCCC 38683131 YRPQDBHUIGPUAQ-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38701322 JISZKBPDSUOVQS-NDEPHWFRSA-N 526.564 6.887 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38701337 LLWDHWBFLCWAGX-LJAQVGFWSA-N 522.601 7.056 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 39858794 LFPUFTLGRSDFRY-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40822994 FGDLBLSASBGCDY-ZTKZIYFRSA-N 509.404 5.592 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1OC(C)C 97914791 FQDDHITWVLEYGK-UMFKEYKBSA-N 515.094 5.794 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Br)cc1 100236629 KSYDEHSTFIKPNE-VGBOAXCZSA-N 551.481 6.119 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1 100237853 QEKDKDOXMPNLCG-LCVHJTKWSA-N 606.432 5.381 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 100554236 RFHWTNZCADJYSK-KBVAKVRCSA-N 546.396 6.183 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101334363 SHZGEGAHJLVWQL-GQXLBWHRSA-N 577.084 7.162 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101338600 QFHQRPAAMPKARK-MZJWZYIUSA-N 506.650 5.875 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101340392 RWAJQPBXLCGWPD-YZSQISJMSA-N 540.591 5.647 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCCC(C)C 101374865 JUMSQWQIZDETGZ-MUUNZHRXSA-N 577.475 6.710 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380872 OEKCHTWGBTZPBH-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380963 GVPLOHFCTZOPKA-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101387296 KGFXVGVCOLWWMG-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)c(OCC)c1 101389701 NUXDJWDKDUIGOR-XIFFEERXSA-N 594.639 7.030 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2cc1C 101397891 DMUAEXIOIMJVQE-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)oc2c1 101398092 OUYIKJXFCNZHJH-HKBQPEDESA-N 542.591 7.066 50 10 KKGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccccc1Br 101492979 YXHHZHHHXRHNJY-UHFFFAOYSA-N 560.162 5.007 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc(Cl)c1OCCCOc1ccc(C)cc1C 102471119 DFXCGFRMMXTKGS-BKUYFWCQSA-N 626.156 6.372 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC 103649561 FGTJNAFWRXPSKC-BKUYFWCQSA-N 543.611 7.266 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 103878654 RWYDYBIHHJVHIM-KEIPNQJHSA-N 564.483 7.558 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 103879739 INTYZRGFVUDRBR-AUEPDCJTSA-N 604.036 5.891 50 10 KKGE COC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)sc(/C(C)=C/C#N)c1C 105568758 HYBUVFKNLUWBCY-JOBJLJCHSA-N 582.704 5.991 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 150382789 OOEYLLSLQBQZBG-MGCJZSHXSA-N 672.155 6.359 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(SSc2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1 150426843 XMUCJOZQNCEAFF-UHFFFAOYSA-N 628.830 7.700 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 150482765 VOHASDSHTJWRMK-HHHXNRCGSA-N 651.930 9.017 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485430 QDWQANISCBSAAB-XIFFEERXSA-N 645.539 8.053 50 10 KKGE CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164621922 PRUQINJAOWWMTL-OCSSWDANSA-N 675.308 6.825 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 195837163 WBCAJQRDYWOKNL-WMXGREIPSA-N 636.006 10.534 50 10 KKGE CCOC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c2c1 195988233 HDOZMUDURUBVGU-UHFFFAOYSA-N 542.748 8.559 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)c(OC)c1 206234007 SMIBIWCZAFVPDJ-BOPFTXTBSA-N 516.388 5.210 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 206679989 WJZLCKJHSMQZFX-FHIYBITRSA-N 514.578 5.699 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@@H](CC)C2 209399614 BLCDWQZRCRXKHM-VVZNPABPSA-N 542.579 7.264 50 10 KKGE CCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 233235368 JRBMLKIZNSTNBL-KPXOXKRLSA-N 618.418 5.054 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)sc1Cl 235860452 WOFKWAGNPQYMAY-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)cc1 252606789 GUSFPHWNOVXEKY-UHFFFAOYSA-N 512.561 5.625 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 252628446 SQJNFTLEALAWGI-UHFFFAOYSA-N 601.885 5.143 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)n2-c2ccc(C)cc2)cc1 254292563 MYIJWJUQBLLHKV-UHFFFAOYSA-N 535.677 5.596 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=CC=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 254307153 LHTRZCTUFSVHRW-UHFFFAOYSA-N 578.798 6.776 50 10 KKGE CCOC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256020116 ZEBMALKCYBSXBB-YFXJRYMSSA-N 603.145 6.608 50 10 KKGE CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 504153026 LJDJHYHISCPTMX-HCLFFONOSA-N 504.715 7.289 50 10 KKGE O=C(CCl)N(c1ccc(-c2ccc(N(C(=O)CCl)c3c(Cl)cccc3Cl)cc2)cc1)c1c(Cl)cccc1Cl 504430160 NUXYNRDUFNLXRF-UHFFFAOYSA-N 627.182 9.774 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2cccc(CCO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616593660 PSXUHVOXMKAPPG-AREMUKBSSA-N 510.795 6.922 50 10 KKGE CC(C)Oc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721573089 OGMZKSYZBXEOFR-MRXNPFEDSA-N 510.007 6.325 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 724910299 SAXLZMUWSHSZBP-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CC[C@H](Cl)c1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 725414476 SYHYJDGFFDRJIN-SANMLTNESA-N 549.074 8.002 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818419 QXQZQDMMTWVWDX-NREVGYPESA-N 654.920 8.706 50 10 KKGE O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 1083865886 DZLYGBMZQHBQGB-UHFFFAOYSA-N 510.299 5.680 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 1083886622 NHLFRCVBRPRYPX-PXLXIMEGSA-N 550.873 8.179 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Br)cc1 1083887330 YSCICNSTQOQIPI-UDWIEESQSA-N 570.281 7.043 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1F 1083964204 YRKYFBAUFJRYQO-UHFFFAOYSA-N 659.499 7.548 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1 1084027869 GVMSXHCIUMKAGM-LHLOQNFPSA-N 589.477 5.854 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl 1084074459 ZHSHHVWWTFUKQY-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1084133226 NRAIVVSCKZHIQP-DEOSSOPVSA-N 682.309 5.904 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1 1084214042 REPZPUPROMCBTC-UHFFFAOYSA-N 609.546 5.601 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1I 1084251788 DQTLPXCKZRQLPJ-UHFFFAOYSA-N 539.417 5.408 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084259723 KKIIWNZWYACVGX-RTBURBONSA-N 675.661 5.616 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(I)cc1 1084322908 BOIKGDMWIPGGSI-UHFFFAOYSA-N 653.698 7.195 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084635541 UDNNGFDJMSSSHC-UHFFFAOYSA-N 575.738 6.654 50 10 KKGE COc1ccccc1OCC(=O)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 1565517649 DKEHNKUQQKNOHM-UHFFFAOYSA-N 519.395 5.719 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720770 XWPLPVLDAJOFKG-UHFFFAOYSA-N 591.444 5.556 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5Br)c(C)c43)coc2c1C 1772751721 KWMTUDOWECWYHL-UHFFFAOYSA-N 591.462 5.188 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc6ncccc56)c(C)c43)coc2c1C 1772752081 UEJJPBAGAUHSBN-UHFFFAOYSA-N 520.589 6.151 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755796 SJDFTUKHWGESKF-UHFFFAOYSA-N 519.480 6.243 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1c(F)cccc1Cl 1865685906 OVRZJRYLXAJXEY-HNNXBMFYSA-N 501.242 5.753 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865690986 GRACXYNQXPOPHE-GDLZYMKVSA-N 569.105 7.438 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865696897 TVAHCCKFCPNNOS-QHCPKHFHSA-N 526.559 6.385 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704243 RASWDTYJQFPITD-NDEPHWFRSA-N 525.052 6.561 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)c1OCc1cccc(C)c1 1865705688 CELIUCWGAZXIKZ-JOCHJYFZSA-N 533.510 5.400 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865708844 HFCILYJAMQOPHU-HSZRJFAPSA-N 531.399 5.910 50 10 KKGE Cc1ccc(C(=O)CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)c1 1867096767 GNRSWSSZGXUOOC-RUZDIDTESA-N 503.599 5.345 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(c4ccccc4)[C@@H](C)C3)n2)cc1 1868320392 IKZQNQQJKSUIEJ-GOTSBHOMSA-N 506.679 6.872 50 10 KKGE CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1 1868414072 HTXPDUAGXVLEKT-HHHXNRCGSA-N 540.136 8.753 50 10 KKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868434267 ZNXHCYGNTZIIML-SFHVURJKSA-N 512.082 8.061 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868456024 HLHRGNVYAMDGLN-UHFFFAOYSA-N 504.635 5.148 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)n2)c1 1868505059 CSKCTWMQNHLJRB-JOCHJYFZSA-N 571.728 6.159 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(C(=O)c4ccc(OC)c(C)c4)CC3)n2)cc1 1868528532 UPEFXIIMKYLYPZ-UHFFFAOYSA-N 579.726 7.275 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H](C)N1c1ccccc1 1868544387 CWFTYHFGZFVKPR-PSWAGMNNSA-N 548.760 7.861 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(Br)cc1 1872727522 HFDFKZOQGYREBP-YBFXNURJSA-N 562.420 6.157 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1C 1872746619 QAWAAPRNJACTSW-QIAIEURZSA-N 505.821 6.803 50 10 KKGE Brc1coc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 1899877786 VUYTUQGLNMJDJS-GOSISDBHSA-N 501.012 6.868 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(Cl)cc2I)s1 1900918946 MXFQPLMOEYJICO-MRVPVSSYSA-N 512.457 6.623 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915301709 JCIHOOMUKCZVIJ-SFHVURJKSA-N 504.104 6.633 50 10 KKGE Clc1c(Br)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 1923055684 XICWQMYFSJDPPC-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE CCc1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924569589 XKKVFOSRQNOBNX-QMMMGPOBSA-N 523.935 7.144 50 10 KKGE Brc1scnc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924612274 KXNDPPTXEXMGOU-VKHMYHEASA-N 575.765 6.739 50 10 KKGE Brc1ccc(I)c([C@H](Br)Cc2ncccc2Br)c1 1924862509 WSORTVJVDXQJNM-LLVKDONJSA-N 545.838 5.890 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)CC(F)(F)F 2009621643 IETSQNBFGYITKL-UHFFFAOYSA-N 507.191 5.159 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cccc(F)c2I)c1C 2082883584 GVQRRGZHYHMXIF-LLVKDONJSA-N 504.000 6.355 50 10 KKGE CCC1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085494299 KXIODRUPTYGDFF-HKSSTPRTSA-N 524.316 7.453 50 10 KKGE Clc1cc([C@@H](Br)c2csc(Br)c2Br)c(Cl)c(Cl)c1Cl 2093948097 SIIOVBIEZBCKIL-ZCFIWIBFSA-N 548.736 8.371 50 10 KKGE FC1(F)C[C@]12CCC[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Cl)C2 2156118353 XXXFESJGTRSQHA-BLYIZYRKSA-N 513.467 7.578 50 10 KKGE C[C@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br 2179858642 REOHVGFWVVVDAN-OAHLLOKOSA-N 529.319 6.358 50 10 KKGE FC1(F)C2(CC2)C12CC([C@H](Br)c1c(Br)sc(Br)c1Cl)C2 2183919536 DOVVBSYNSJUUAR-GEHMTYFCSA-N 511.451 7.188 50 10 KKGE CC(C)([C@@H]1CCCO1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395539 OYQVSMOZMAOAOT-TVQRCGJNSA-N 554.342 7.222 50 10 KKGE Fc1cccc(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405060 FLYALVDYPAOEHP-LLVKDONJSA-N 550.285 7.398 50 10 KKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207273900 XVFTXHCNRWSCIF-CMPLNLGQSA-N 515.027 5.222 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 2227353267 FQHOGAMVYTURBV-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc(C)c1Br 2227420205 CZPSLEOSVTXDGV-JTQLQIEISA-N 552.351 7.790 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)c(Cl)c1Cl 2232513873 SNXFUBXPPZPLGI-NSHDSACASA-N 589.707 8.105 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1I 2256339246 QCACNDYRYXHUMQ-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(I)sn1 2259996638 XUZGMNWWMUABFR-QMMMGPOBSA-N 573.820 6.035 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)cc1Br 2267737523 HEMMCCYHKIVAAC-CQSZACIVSA-N 518.389 6.592 50 10 KKGE Cc1sc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1C 2278025806 TUMNIPBSLYKXBH-GFCCVEGCSA-N 501.128 7.650 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1scc(Br)c1Br 2285097446 XNPGTBNKFNKFMJ-CYBMUJFWSA-N 547.932 7.145 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 2296545373 LNYWPMFDEOUIRV-UHFFFAOYSA-N 505.983 5.404 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 2297506264 NLMMLTIYBDYIRY-UHFFFAOYSA-N 540.345 6.020 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc2ccccc12 2313556353 WVIKOCBYFFCETI-UHFFFAOYSA-N 501.586 6.175 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570876 IHYPILLFIKCWTH-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592238 OQRNGBMPPZUOIV-AREMUKBSSA-N 532.065 6.537 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593691 RDFAYXKRBAQOEP-MUUNZHRXSA-N 509.675 6.170 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314617520 ZQPKBOPAKIYRJO-UHFFFAOYSA-N 561.041 6.550 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620332 NDXYXEVIZRSRKL-UHFFFAOYSA-N 527.020 6.419 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643270 NLSMFVQUUHYMNN-UUWRZZSWSA-N 558.634 6.728 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cc1OC 2314728453 CWWBGPPXKANTTC-GOSISDBHSA-N 510.656 6.173 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csnc1Br 2317399874 KPGNQOHWESRNGZ-MRVPVSSYSA-N 522.857 6.362 50 10 KKGE Cc1ccc(NC=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Br)c1 2324609754 ZNYPKEGBYKZOPC-UHFFFAOYSA-N 515.455 5.511 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Br)n1 2331323541 BYRQLRCXHLWKAC-UHFFFAOYSA-N 519.848 7.195 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(OC)c1 2331385832 LQJZYSWWWIVRTK-UHFFFAOYSA-N 509.543 5.578 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)c2ccccc2)cc1 2331410915 QSYPOBSVTNBAJX-UHFFFAOYSA-N 501.007 7.514 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2339657380 XONZEZZUPFQHPV-VIFPVBQESA-N 556.314 7.621 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 3143481 PBFVMUBVRITULQ-JJHCKKGNSA-N 575.112 7.414 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 8567113 HUKYVRZWVXKQGB-UHFFFAOYSA-N 576.118 6.388 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642270 DLZLHRCNGUNLGZ-UHFFFAOYSA-N 525.443 5.915 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 38604044 OHRSMJRGGSOBKW-TURZUDJPSA-N 522.649 6.419 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1C 38660905 FYERVJSPTLTFOJ-WJOKGBTCSA-N 518.569 6.298 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 38681145 JSGFCLPTIPZZNJ-GDLZYMKVSA-N 526.589 5.876 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38685518 QTNXZVALBHXNBK-JRPXNJEYSA-N 526.633 6.409 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)c1 39858535 DAYWIJUZGDCVHC-JXAWBTAJSA-N 515.367 5.412 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 58894735 AIMWGLWFVBCVIK-ZHORMKCVSA-N 504.030 6.014 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335443 NWOQHZYXERCWNR-RGVLZGJSSA-N 536.382 6.107 50 10 KKGE CCN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C)c1ccccc1 100921620 MHJSIUAPNUVXNT-DOPJRALCSA-N 508.092 5.725 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244094 DDBJNKMQORSJMG-LSVFKTMXSA-N 523.702 6.731 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101293602 QLLBEOKYHXVHOK-YTTGMZPUSA-N 544.607 6.576 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 101339817 JEMDIKKNPIDDHD-FSJBWODESA-N 512.949 5.440 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 101339951 XVSGYZYDYIVNBG-QXUDOOCXSA-N 624.672 7.058 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1 101367505 STHHJWLYRKUGCS-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101368147 NWDWQKWUVAWHME-UKPGIYTDSA-N 556.659 6.418 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101368266 COVDIARIZOXDEE-LJAQVGFWSA-N 583.468 6.629 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374114 WDPVVFYDBJSKIV-ICACTRECSA-N 570.686 6.979 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101375451 AXORMKZYUQEWEI-JCOAXYOVSA-N 574.649 6.775 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386877 FTEVDMMHQDIREI-XIFFEERXSA-N 580.612 6.178 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccccc1Cl 101388071 XQVQQHAGSUAYMX-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(F)cc1 101389272 QQBWEQGJPQLBIX-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101393186 JCEHWYBBPLYWKT-SSEXGKCCSA-N 552.627 7.065 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)oc2ccccc12 101398086 ASWYFXPAZMIODB-PMERELPUSA-N 528.564 6.758 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C3CCCCC3)cc2)c2ccc(C)cc2)cc1Br 103749383 ZRGBGRWENBVLLK-UHFFFAOYSA-N 584.536 6.212 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 103789622 KIHDEHJHSGAOOI-FYJGNVAPSA-N 601.328 6.599 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)ccc1Br 103816537 CEPQEDVOVXVYPP-WSDLNYQXSA-N 586.486 7.939 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C4=NN(c5ccccc5)[C@@H](N)[C@@H]4C#N)c3C)sc3c2CCCC3)cc1 103871569 NWVYKBFLVZHNGV-LRIGQHIISA-N 599.764 6.803 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2F)c(I)c1)c1cc2ccccc2o1 103879242 QKHDHDHSNKXHLX-KKMKTNMSSA-N 593.190 6.282 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 104767895 DIYPIIYTLRNPBO-NDZAJKAJSA-N 538.504 6.382 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 150460258 VLMAJMWZZJYAIX-JGFAXXQYSA-N 648.741 5.253 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 164014451 NBEHBVVWPMJQJF-OKCVXOCRSA-N 632.521 7.134 50 10 KKGE C#CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164621007 KQJFBFFRYGOHEI-AUEPDCJTSA-N 649.020 5.180 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214261452 QELANEOAWGZUSZ-JXGPUUQSSA-N 560.629 6.648 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)sc1Br 235857021 IKKIAPGQMAJEBT-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)ccc2Br)sc1Cl 235863889 WOFKWAGNPQYMAY-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)cc1 254530295 GFZSQPDUDHDYOK-UHFFFAOYSA-N 556.626 5.497 50 10 KKGE COc1ccc(C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1CSc1ccccn1 254627222 QDEKKDOJWUKMJO-UHFFFAOYSA-N 526.449 5.698 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(/C=C\c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 254851539 OUBSJZNXCKQCTJ-LGPKRJEWSA-N 515.573 6.380 50 10 KKGE C=C(C)[C@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]12 504238353 PKAPKLCGHVIAEA-CMQOCULJSA-N 598.869 6.889 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Cl 721572859 NIJUALCSXXKJIZ-CQSZACIVSA-N 506.392 6.697 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 725410104 XSWMSBWAOTZYBF-XMMPIXPASA-N 610.332 6.706 50 10 KKGE CC[C@@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 725432662 KASDHRXLYQOAKZ-QORVZMAPSA-N 810.466 5.719 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 1083905506 KVJAQAIGOIMKAU-UHFFFAOYSA-N 516.601 6.322 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Br)cc1 1083939969 KSYDEHSTFIKPNE-HHHXNRCGSA-N 551.481 6.119 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1083971268 YQKZOXQOTKYIFG-UHFFFAOYSA-N 500.646 7.241 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)ccc1OCc1ccccc1 1083975320 FUVHWJHBCGFFEU-UHFFFAOYSA-N 572.061 6.326 50 10 KKGE COc1cccc(C(=O)NN=Cc2c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc3ccccc23)c1 1083989808 RCFUJRHMVOKVPY-UHFFFAOYSA-N 509.440 6.332 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084042237 XOOPZUPKOSOHDF-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 1084119649 LNPGKXBWOURZLA-YDZHTSKRSA-N 519.439 6.898 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084178999 QSBQSWVXOVSBAK-UHFFFAOYSA-N 737.525 7.719 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N1CCCCC1 1084203228 OTLSPFCDLYBCKQ-HSZRJFAPSA-N 709.662 5.796 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(NC(=O)c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084229083 AXLGCLUULZYOJP-UHFFFAOYSA-N 605.116 5.727 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(I)cc1 1084275548 URHASURJQKWJKC-HHHXNRCGSA-N 628.507 5.970 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084348369 VYVCWVDXGQAIBA-VXLYETTFSA-N 607.275 7.430 50 10 KKGE S=C(NCCNC(=S)SSC(Cl)(Cl)Cl)SSC(Cl)(Cl)Cl 1615945229 XBBRCLMKPYOTFX-UHFFFAOYSA-N 511.248 6.154 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1F 1772754909 QMSZGNFQQRAMFI-UHFFFAOYSA-N 556.084 6.823 50 10 KKGE C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](/N=C/c1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12 1857788325 HJVPMMQNVLOVDY-RJMSPFIXSA-N 828.145 11.909 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Cl 1865685602 KRMJFBRKBIGVRF-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865687085 JEUSGOPZQYMECD-MHZLTWQESA-N 541.051 6.988 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865691224 NCHDSCMKFNIYJX-DEOSSOPVSA-N 525.406 6.085 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865693212 SSHOAIUNMMKITO-QHCPKHFHSA-N 551.485 6.374 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865696728 QOYRVLIVQPYFDK-MHZLTWQESA-N 516.642 6.019 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703223 QIVFENCXLDNXEG-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703448 VWEKNRDAEFREKQ-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705064 LDUQBINLDWLYKU-AREMUKBSSA-N 508.578 5.562 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712302 VDJCASTVZFTPRL-JGCGQSQUSA-N 568.677 7.021 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)cc1 1866776883 PPZHYHSKRGTFTQ-WDYNHAJCSA-N 539.632 5.993 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1866995488 JYVCIUWBHBRSEG-RRPNLBNLSA-N 536.072 6.692 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867062391 ONCXEYKLECBFKP-LJAQVGFWSA-N 516.626 6.388 50 10 KKGE CCc1cccc(CC)c1N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cccs4)cs3)cc2C1=O 1872750729 POBQVEJEGZKQPA-DAFNUICNSA-N 511.628 6.747 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 1872757601 NFXKLUSSIMGKCA-JRCVOMKHSA-N 509.971 5.104 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OCCC)c(OC)c3)n2)cc1 1872781098 UYACOQYGZXMSLE-FYJGNVAPSA-N 511.485 7.777 50 10 KKGE O=C(c1ccc(Br)cc1I)N(CCBr)Cc1ccccc1 1906756629 BQPJXSVLWIXRDX-UHFFFAOYSA-N 523.006 5.091 50 10 KKGE C[C@@H](C1CCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924567995 AEQOLZHLFVIGED-IMTBSYHQSA-N 509.927 7.298 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579345 DEUBMQGSQIAJHP-UCORVYFPSA-N 505.842 6.763 50 10 KKGE CC(C)(C)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924584052 SLRDRPBLUQKVJJ-MRVPVSSYSA-N 511.943 7.544 50 10 KKGE FC(F)Oc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924602171 TTYSBXIFEQDPFV-MRVPVSSYSA-N 555.858 7.121 50 10 KKGE O=C(c1ccc(Br)cc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 2026219563 XGYOIYONBIEMLR-GOSISDBHSA-N 563.071 5.870 50 10 KKGE Cc1sc([C@@H](Br)Cc2ccccc2I)c(C)c1Br 2027332962 BOBUJJIZBFHUBL-NSHDSACASA-N 500.037 6.411 50 10 KKGE ClCCc1nc2cncc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2095446425 VTNOHHLZKFNOMS-UHFFFAOYSA-N 525.878 5.447 50 10 KKGE CN(C(=O)c1cc(I)ccc1Br)C1(CBr)CC(C)(C)C1 2164567715 NNEMVXUXHYADAF-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCCCCC2)c1Br 2199986475 FSHNSVNWDRHNAO-JBLDHEPKSA-N 549.992 8.078 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)c(C)c2Br)cc1Cl 2203687685 XUBRXCFYUXHYAW-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)c(F)c1Cl 2207260745 HNEOMKMKOLPNIF-LLVKDONJSA-N 556.797 7.076 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(C)c2C)cc1I 2217863075 ABETYSQSRBSXNH-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H](C)COCc1ccccc1 2225687994 SLYGNTZBBFJJGU-KGLIPLIRSA-N 500.662 6.714 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2cc(Cl)cc(Cl)c2)c1Br 2232161788 LFEXZUJSTAXNKG-SNVBAGLBSA-N 507.900 7.567 50 10 KKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(Br)c1Cl 2268261159 FLQOZAIJPJZTEM-MRVPVSSYSA-N 554.323 7.182 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(C)c2)c(Br)c1Cl 2283548942 JBFGHKMHLGATPH-CYBMUJFWSA-N 530.425 6.508 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288494985 NQOGKZVZUCRCCD-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc2sc(Br)cc2s1 2295510275 WWKWXSOBYUIDEV-ZDUSSCGKSA-N 503.025 7.250 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCc1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2295948577 NTMUGDRRYNWZRE-MHZLTWQESA-N 537.084 7.795 50 10 KKGE O=C(COc1ccc(Br)cc1[N+](=O)[O-])NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 2297708241 PQGZXXTUSMAJIU-UHFFFAOYSA-N 512.238 5.165 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 2314475713 AXOBYQYLEXRBCY-ZEQRLZLVSA-N 611.724 5.282 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCOCC3)c2)cc1 2314478149 HCKCADHGQXDDNZ-UHFFFAOYSA-N 504.590 5.193 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591634 AFOKHCAZVICCGF-RUZDIDTESA-N 570.036 7.349 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592126 MGYULIWKJNDLGF-AREMUKBSSA-N 550.511 7.490 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592780 BNNBVQFTDPZLMB-BVZFJXPGSA-N 518.038 5.652 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314616848 LAKPUGMFZLBXIU-UHFFFAOYSA-N 570.693 6.718 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314617053 PWSNNZJYKHJELU-UHFFFAOYSA-N 600.675 6.485 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 2314634865 XQIRYJSGNMKHKZ-JGCGQSQUSA-N 554.643 6.356 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331254768 YKLITGSQZJCPTD-ASSNKEHSSA-N 512.418 6.620 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1 2331273636 KKRGHANOMZDIJY-UHFFFAOYSA-N 517.610 7.278 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)N(CC)CC)c(OCC)c3)n2)cc1 2331441060 SPFMIUZGAULLPK-UHFFFAOYSA-N 505.640 5.919 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1OC(C)C 2331456893 SRRRBRIJEHUDBC-UHFFFAOYSA-N 505.437 7.586 50 10 KKGE Clc1ccc(C[C@@H](CBr)c2ccccc2Br)cc1I 2337225301 KIFMROMTTKNCKQ-NSHDSACASA-N 514.426 6.428 50 10 KKGE C[C@H]1CCC[C@@](CI)(OCc2cc(I)ccc2Br)C1 2341855577 CIEBTYDBBRJMMH-XHDPSFHLSA-N 549.028 5.954 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csc(C)c2Br)c1Br 2343566455 KXBBJISHKRTSNR-AWEZNQCLSA-N 531.933 7.445 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 7018831 GKARXHQCKRTHNM-GPSDDGMOSA-N 552.881 5.845 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12 8437035 OKTYEHNZRQCOEU-UHFFFAOYSA-N 543.417 7.090 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 38606308 CESNGCQBMCNQMI-OVVQPSECSA-N 522.605 5.041 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38606645 TZBGNEOSBHJDFG-WPWMEQJKSA-N 508.622 5.564 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 38688729 HOEHNRKOIJVUTI-HHHXNRCGSA-N 510.546 5.894 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 38701347 BZOGTFCUULWFKD-DEOSSOPVSA-N 517.006 6.699 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 40529964 IPNZMDQILREOQY-GDLZYMKVSA-N 510.634 6.846 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)c1 97499152 ZYPGXWAYXGZBBV-MOSHPQCFSA-N 507.384 5.981 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 100234353 GSLLHBMYUKKBQO-KMOVNDHPSA-N 588.664 7.082 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1 100918964 DWEFOAFZTVKXLF-IWAMZAKLSA-N 521.853 6.815 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 101035514 JCHSPANVCRWTQG-HKWRFOASSA-N 565.186 6.389 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101332268 JTOKCRCYDZTQDU-JVWAILMASA-N 518.548 5.479 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C1=O 101333357 JIUNLIVJOCCOKJ-VFCFBJKWSA-N 522.649 6.501 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 101333640 CFGPEKPEKXYHRZ-NDZAJKAJSA-N 550.703 7.055 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101337551 ANZHGESRYDDKHH-ADIMLFFHSA-N 519.004 6.546 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101337633 KNYKIELQQHPQHV-OCJNCGMCSA-N 570.693 7.236 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101360370 ANHXFYMVJHUWMG-HXUWFJFHSA-N 530.449 5.708 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101374892 KFXHELMMZPKRPN-SSEXGKCCSA-N 607.501 6.475 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385644 FBGQANWEZCGLAW-PJMDTWBYSA-N 579.052 7.073 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385657 OONSWSVZYODAQV-PTRALIJHSA-N 565.025 6.765 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101389173 DLGOHVKOPHDFEN-XIFFEERXSA-N 580.612 6.178 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101395617 FQNAKKKJHXMKEM-GDLZYMKVSA-N 603.140 8.268 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101395635 AUSNDQFQCTYIHF-MHZLTWQESA-N 623.558 8.613 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c(OC)c1 101595302 MKMQAUQXAWHJCI-TURZUDJPSA-N 526.387 5.090 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102665873 JKUSIKXGHYEEBT-UDXHRHDRSA-N 528.848 6.712 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(=O)OCC)c1C 102924554 LQYUEYNBAOJCTO-RVDMUPIBSA-N 512.569 5.418 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC(=O)c1ccc(OC)cc1 102933078 PPJUVMNYTQFOEX-YVLHZVERSA-N 556.358 6.074 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 150382984 SIEKEPWMKCNDQJ-MGCJZSHXSA-N 674.704 6.092 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 150478839 CHMMTKHDNOEDFJ-PNQUVVCRSA-N 637.408 7.709 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(/C=N/NC(=O)c3ccc(OCCCCCCCCCC)cc3)c(Cl)n(C(C)C)c2Cl)cc1 150481090 MBOOGHOJQGSGGV-VFAUKVELSA-N 782.898 11.943 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)oc2cc(Br)ccc12 150483008 ZUUDJOVZKNGSQX-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 150483366 TUJSKCIQUCEJQE-MHZLTWQESA-N 651.930 9.017 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1 164019568 UODSSBOMZATMQN-KBVAKVRCSA-N 646.707 6.875 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)OCC)cc2OCC)cc1OC 206288782 JQDNEUSZCBRTTN-JFWIQPJLSA-N 521.610 6.142 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214409445 AZULVVDSZNYLSY-GKVNEZTPSA-N 644.706 8.203 50 10 KKGE N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C[C@H](CCc3ccccc3)CC=C12 229998052 SRQCPSKVQAEBDF-RACUQHKRSA-N 524.422 5.008 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c1 232482789 FFXCKVJHFGJSTB-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2c[nH]c3ccccc23)n1-c1ccccc1 252589101 AGYZTHDPNWBXEH-IBGZPJMESA-N 635.535 5.905 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/NC(=O)C=C(Sc1ccccc1)Sc1ccccc1 253564234 GHDJFXFHLTVGBN-ZTKZIYFRSA-N 513.692 6.123 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 254297297 PJFADCZDLXFYMZ-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE O=C(NN=Cc1ccc2ccc3ccc(C=NNC(=O)/C(=C/c4ccccc4)NC(=O)c4ccccc4)nc3c2n1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 254704649 OMXMYKQQAJTHGN-FXEFGAPTSA-N 762.830 6.625 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccccc3OC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256020048 UEFGGDVYWXYYRV-KSADMFMESA-N 624.366 5.815 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccccc1C 256028350 GUDCSPARKAJXSO-UHFFFAOYSA-N 583.533 6.106 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)CC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 261492909 NCWFLSDWSHRVAI-JKSBVLOSSA-N 766.399 5.658 50 10 KKGE O=C1Cc2cc([C@H](Br)c3ccccc3I)c(Br)cc2N1 380194600 DABRKKVSRKSYHD-OAHLLOKOSA-N 506.963 5.033 50 10 KKGE C=C(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(C#CC(C)(C)OOC(C)(C)CC)OC(=O)C(=C)C 504693391 XSWFWWRZCMSVDA-MVWZSSHXSA-N 576.774 7.801 50 10 KKGE biogenic C[C@@H](C=O)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C 575232141 LJLHFLFQOZBNDD-CCLPMASLSA-N 561.012 9.855 50 10 KKGE in-vitro CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 616585741 FAGFLKDXAVYVFV-SHZNSVIDSA-N 672.973 7.366 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721609481 HCWQGUIBQCHTLM-CQSZACIVSA-N 579.295 7.215 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 725401108 NMJXWJOZAZROJV-JMIUGGIZSA-N 607.275 6.799 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1083966501 HHALBYLZHSRIOD-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OCc2ccc(I)cc2)cc1 1084025869 FVRVYFUBHRECLP-UHFFFAOYSA-N 534.781 5.686 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)c3cc4ccccc4o3)cc2I)c1 1084071556 CATVAPKBXWBDEQ-UHFFFAOYSA-N 589.227 6.451 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084393564 UORQCSNLGHUOBC-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1 1084488590 OQFFAUGNLIVCHP-UHFFFAOYSA-N 698.810 6.482 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084602765 RGIFAPJFRNUSEI-UHFFFAOYSA-N 585.517 6.106 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 1084634035 LHJNEXNUQUYRNS-DEOSSOPVSA-N 634.321 5.851 50 10 KKGE CC1=C(Cl)C(=O)[C@H](Cl)[C@H]([C@@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]3(Cl)CC(C)(C)O[C@@]23Cl)[C@H]1Cl 1615217006 KSFTZUJIAOUCAC-JZEUJPJFSA-N 537.953 6.477 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773634 VIQGGYZFTMULIY-VUCXXWHUSA-N 647.146 10.753 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748630 MMBLHAMNPRZRAZ-UHFFFAOYSA-N 555.034 5.305 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Br)cc5)c(C)c43)coc2c1C 1772752215 ZLGUUAKXCFGCSI-UHFFFAOYSA-N 548.437 6.365 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)ccc1OCc1c(Cl)cccc1Cl 1772754142 OYFXOKWSJKSAJT-UHFFFAOYSA-N 594.333 7.304 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440616 MNMYVJZZXQKBRM-KVKMOJRLSA-N 586.930 8.621 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687494 SIMVPAYEDSPKIG-MUUNZHRXSA-N 541.051 6.343 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687765 AATRIONYDOHVOR-OAQYLSRUSA-N 543.849 5.622 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688391 QYGPVHMVEQBEAT-QGZVFWFLSA-N 569.765 5.689 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689446 SDNXQNBSRLPUKX-HSZRJFAPSA-N 523.431 5.603 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689922 GPIQEOZCLXMPKA-RUZDIDTESA-N 503.389 6.285 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(C)cc2)cc1OC 1865691384 QPRDJKXFZLLLJE-AREMUKBSSA-N 579.539 7.082 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691498 UFZKSKJDWULNIC-RUZDIDTESA-N 525.024 6.082 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865691682 YUQQDUQODQGYSR-NRFANRHFSA-N 574.273 5.721 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865695971 VZFMKXZFDTWVFQ-SANMLTNESA-N 521.061 6.333 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865696201 YHSHNROVKRVNTB-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1c(Cl)cccc1Cl 1865703643 XTZYXYOYGFDTKJ-SANMLTNESA-N 562.457 6.332 50 10 KKGE CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865704776 DLEKKUGXQWLZQL-RUZDIDTESA-N 531.443 6.911 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709583 XZWXZJCPXANTIX-QFIPXVFZSA-N 533.371 5.771 50 10 KKGE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)c(OC)c1)C2=O)C(=O)Nc1ccc(SC#N)cc1 1866574003 AVBUIMJIHIIEEX-XMMPIXPASA-N 572.643 5.005 50 10 KKGE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867144195 QPLVZKIJODEQEH-DNQXCXABSA-N 522.468 6.078 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4cccc(C)c4nc32)n1 1868301743 WCEHYHQFIGDHBC-UHFFFAOYSA-N 500.631 7.320 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433428 LIWMPFGFXQDURU-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)ccc1F 1872749907 MXDCQYBPZNKAQQ-JVCXMKTPSA-N 519.601 7.717 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC 1872752682 NUUGQECEOLYDHH-XDOYNYLZSA-N 501.564 5.212 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)CC1=O 1872758769 PRPFUIDVPYDVEB-LXMSKGSXSA-N 509.631 6.689 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1 1872791853 UOTDKRHCIYTZSC-XHLNEMQHSA-N 522.714 9.111 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 1872793539 FLWPBYMHJPNWTL-OVCLIPMQSA-N 501.402 6.061 50 10 KKGE COc1cccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 1873795592 SGBJYDOJTIHJME-STBIYBPSSA-N 504.027 5.463 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1sccc1Br 1923071593 JZRGTROSLDIQIM-YFKPBYRVSA-N 530.326 7.235 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1Br 1924041993 YGAWXBAOHZCDTG-CLAHSXSESA-N 512.865 6.609 50 10 KKGE CC1(C)CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924571448 RTONOVAZMDKFDI-HTRCEHHLSA-N 509.927 7.298 50 10 KKGE CC1(C)CO[C@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615084 WEWUNMAXOLERNL-RQJHMYQMSA-N 525.926 6.677 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=CC(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2042444556 WXUYXBIMEOXHGB-UHFFFAOYSA-N 507.981 5.524 50 10 KKGE CC(C)C[C@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494217 KNQCQTCGQCRSHR-CPCISQLKSA-N 570.783 7.855 50 10 KKGE Cl[C@@H](c1ccoc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085494880 GEKKWQSAFMQLTG-JTQLQIEISA-N 587.125 7.420 50 10 KKGE Brc1ccsc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496416 WLPIKCDOABQLHH-JTQLQIEISA-N 647.644 8.045 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 2125299410 RTAGLDLTXBEVOC-ZCNNSNEGSA-N 503.775 5.440 50 10 KKGE CC(C)[C@@H]1CCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396352 VXZLFZMBWBDURN-UTEYVOQOSA-N 552.370 8.089 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2c(Br)cccc2Br)c1Br 2206399745 LDSTYKLFEUAYKX-CYBMUJFWSA-N 720.511 8.746 50 10 KKGE CC1(C)CCCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404963 CUIAKEYUAIYKIZ-XLKFXECMSA-N 552.370 8.233 50 10 KKGE BrCc1cc(Br)c(OCc2ncsc2Br)c(Br)c1 2219010652 ILHPHGUYHCFCHS-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCCCBr)CCN(C(=O)OC(C)(C)C)CC1 2227923637 XHHGDTNZUWTBPC-UHFFFAOYSA-N 534.580 5.902 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccccc1I 2263512767 FOGSNPFOQFQIPV-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE Cn1ncc([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1I 2263513925 UUGKZVWSDZGAPI-LLVKDONJSA-N 504.391 5.072 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)sc1Br 2272722040 PBYACXJKGPWHRB-SECBINFHSA-N 560.277 7.405 50 10 KKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(I)c1 2277964391 FEEXFJHSVRNHKD-ZDUSSCGKSA-N 562.840 6.634 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1 2297452992 BMMCNUDUAWHUPK-UHFFFAOYSA-N 526.368 5.808 50 10 KKGE CC(C)C(=O)N1CCN(C(=O)C(C#N)=C2SC=C(c3ccc(F)cc3)N2c2cccc(Cl)c2)CC1 2297486350 UAVMGRQCYDAPCA-UHFFFAOYSA-N 511.022 5.093 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299524616 FZLCLCQTDOJJPM-KRWDZBQOSA-N 532.095 7.040 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1 2313521375 JTMXULVSFXQBBS-UHFFFAOYSA-N 586.857 7.085 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1 2313521580 XRSPNUUGLYSNRO-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1 2313545828 IIVDMWCDRBEPER-UHFFFAOYSA-N 579.438 5.135 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 2313567695 MRPFPFMIPOXFHA-UHFFFAOYSA-N 545.602 5.281 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)c1 2313571506 XXPKANSBSQDUIF-UHFFFAOYSA-N 506.216 7.733 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2314482351 IPWGILXOSUYIRX-PMERELPUSA-N 513.557 6.496 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314489186 PJLRWGNLXHSGES-UHFFFAOYSA-N 591.468 6.217 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492397 SHJZIDGVGNRVOU-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314591936 IAHNYORCJHHLPT-SANMLTNESA-N 516.066 6.837 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616575 DZPCSYDKEFCVFW-UHFFFAOYSA-N 691.810 5.566 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1cc(C)c(Cl)c(C)c1 2314760649 TZDFUIBPNHBOSZ-UHFFFAOYSA-N 537.012 5.937 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1C 2331259026 APPATYYOADLXAM-UHFFFAOYSA-N 521.598 5.916 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 2331344717 HOFTWIKRXMIJOA-UHFFFAOYSA-N 501.479 8.501 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc2c(s1)CCSC2 2336052148 YJPNDOQEYAGPMW-OAQYLSRUSA-N 510.316 7.363 50 10 KKGE COc1ccc(C[C@H](Br)c2sc(Cl)cc2I)c(Br)c1 2338888877 IQUTVORIBKFSAS-JTQLQIEISA-N 536.454 6.456 50 10 KKGE BrC[C@H](Cc1ccc(I)c(Br)c1)c1ccccc1Br 2349857802 XMMFMYHMQSEUCT-NSHDSACASA-N 558.877 6.537 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)c1Br 2362233635 CIQLQEQASFVUDK-LLVKDONJSA-N 617.703 7.746 50 10 KKGE Fc1ccc(C(F)F)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2363676414 JTBPQRQAHKYZMA-HXUWFJFHSA-N 500.152 7.589 50 10 KKGE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CBr)cc1Br 2364377310 UISYINQTEDJAMS-UHFFFAOYSA-N 530.884 5.239 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1OCc1ccccc1 13920967 KZUWWUFQJWQJMA-WYMPLXKRSA-N 504.178 5.260 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 15401596 PQLKRBAXSRCYCE-QPQMVVSWSA-N 518.982 5.622 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 29503112 JFBOEZGFPHMHNX-ZXZUUZRVSA-N 600.766 5.853 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650915 YKFGKVZRFCNJMB-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1F 38686894 QPLINVZWWCJHFE-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccnc3)CCC4)ccc21 40814105 FTRMZTWSZHYTSH-GZZLJNBRSA-N 505.578 5.834 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1Cl 58989380 HRHZLKDTGXYZCO-ZTKZIYFRSA-N 504.059 5.729 50 10 KKGE CCN(CCOc1cc(CCl)c(OC)cc1CCl)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 60290600 JSZCTYRSAFDHAT-ZQHSETAFSA-N 517.413 7.402 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccccc2)C(=O)CCl)cc1OC 97914608 YQGSRYLRRANPFY-MHZLTWQESA-N 501.067 5.284 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)c(Br)c1 100083307 HVNFFZNCJKLFBX-LLVKDONJSA-N 547.302 5.156 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1ccccc1OCCOc1ccccc1 100161121 SXHIVTMJLLPTBS-UHFFFAOYSA-N 614.290 5.663 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227682 IXVNTEASDSNYJV-MTJSOVHGSA-N 583.382 5.400 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 100231901 PCYJGDBPBIROKP-XZJBEKIMSA-N 529.406 5.530 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 100234147 IWULOCACPZYDJZ-RDUMBWDMSA-N 604.545 6.798 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101374779 WJQDBMHZECMBHT-DEOSSOPVSA-N 618.555 6.552 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(F)c(F)c(F)c(F)c5F)ccc43)c2)cc1 101382501 QIZKDGYIFKBXAF-VWLOTQADSA-N 608.519 6.472 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1F 101386670 CTRUFWCYKWAPBD-GDLZYMKVSA-N 567.529 5.759 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101389647 PDJWWICFEXFTRL-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE CCCCCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 101651625 IFILVAPYZWIVGI-WOJBJXKFSA-N 511.254 6.262 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1 102107732 NWTGTNFKVZWQLS-ZSNIFBOXSA-N 553.446 5.490 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 102399911 RKDGVJWXFBXZPA-RGEXLXHISA-N 543.557 6.314 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 102924091 VUOFHMMVCDBNBI-NDENLUEZSA-N 521.425 7.451 50 10 KKGE N#C/C(=C1\SC=C(c2ccc(Br)cc2)N1Cc1ccccc1)c1nnc2n1CCCCC2 102942234 SJUIOMVXTVAYIP-NJNXFGOHSA-N 504.457 6.207 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1I 103733768 DQTLPXCKZRQLPJ-WKULSOCRSA-N 539.417 5.408 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1I 103740422 VDFFCPIYXDNHNO-MZJWZYIUSA-N 541.414 5.125 50 10 KKGE O=C(CSCc1ccccc1Cl)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103744177 RLPKGPYFGTUXBD-PJJLUWSFSA-N 526.061 6.230 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105060443 INNHNOUGYVGEEW-FABQOPTDSA-N 555.465 7.497 50 10 KKGE CC(C)(C)C(=O)N[C@@H](Sc1nccc(S[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)n1)C(Cl)Cl 106878258 BYJALRPWNAEGQU-SMDDNHRTSA-N 570.823 5.812 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)cc1Br 134300034 RFNQNPJKRMRUFI-GFCCVEGCSA-N 549.904 6.537 50 10 KKGE COc1cc([C@@H](Br)c2cccc(I)c2)c(OC)cc1Br 134303128 DSBGFXZIVGBUNX-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433078 OJDMPJINEIIKHR-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 150478768 NKEXFXSWULJZPN-QFDQHJFZSA-N 671.853 8.363 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 150484881 JEZWFIKCZPVYHK-VWLOTQADSA-N 629.949 8.486 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 164625697 YKLHOKALPZWDOK-ODNPBWNPSA-N 661.369 8.460 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214407856 STLPZHALJASBGU-DXJNIWACSA-N 588.683 7.204 50 10 KKGE O=C(OC[C@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 219897775 WISFGQOOKBVKPD-WYQCABFXSA-N 659.485 5.640 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1Br 224842754 IGIWTXKYOLIDSY-NSHDSACASA-N 505.453 6.381 50 10 KKGE N#C[C@@H](CC(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1 254354273 QVADNTMOMSXUBI-XMMPIXPASA-N 549.587 6.046 50 10 KKGE COc1ccc(C(=O)NN=C(C)c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(C(C)=NNC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 254873298 BMCQBEXQNOHVID-ZPGRZCPFSA-N 652.704 5.169 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(I)c(Cl)c2)c1Br 312385503 NUKQPTSSERTJCD-SECBINFHSA-N 560.398 7.272 50 10 KKGE Cc1cc(C)c(CCl)c(Oc2c(I)cc(Cl)cc2I)n1 380374389 NIWKBXWZWLAHNM-UHFFFAOYSA-N 533.962 6.092 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2I)[C@@H](CBr)C1 382714321 JDMWYVDDTKRKNN-YOEHRIQHSA-N 579.070 5.801 50 10 KKGE Cc1ccc(Oc2ccc(NC(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)cc2)cc1 725237632 LDSYJFBCNXAHPB-SANMLTNESA-N 559.009 7.819 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1 725400073 LNQFUYNEYUCSKD-RUZDIDTESA-N 602.469 5.550 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 725404237 UIWYWLOVWKCDLS-VWLOTQADSA-N 501.410 5.935 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)cc2)cc1C 1082990624 LQCWTHGGMDGZTQ-UHFFFAOYSA-N 610.139 7.605 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 1083912885 SXLRYCNZULTDHS-IWIPYMOSSA-N 511.419 7.344 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084052502 SCRMJZSXMXWHOZ-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccc(I)cc1 1084122592 VBRQLPXNOHJHPZ-PCLIKHOPSA-N 617.487 6.354 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 1084156185 XOVXGFDMTFOWTM-HHHXNRCGSA-N 520.601 5.504 50 10 KKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084322921 CRGMDWNEEQKWOP-UHFFFAOYSA-N 510.421 6.243 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(I)cc1 1084334339 FAYPVHCRGSNMQG-KGENOOAVSA-N 633.313 7.850 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1c(Cl)cccc1Cl 1084341009 SLZMJDXTSYXITO-UHFFFAOYSA-N 564.800 6.011 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccccc1C#N 1084344551 OTIZCTCXLAAVNC-FSJBWODESA-N 555.432 5.656 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(F)cc1 1084379345 LGLFVMVKOJEJGQ-HHHXNRCGSA-N 569.471 6.258 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2ccccc2)cc1 1084385036 ADWSJQVCCSXSGE-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C)S(=O)(=O)c1ccccc1 1084441347 LGKUFGAHCRIZJB-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 1084472690 OFZRKYMTQKKSKI-JOCHJYFZSA-N 515.379 5.140 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 1084511083 WDIXNQLNWGWFMV-UHFFFAOYSA-N 716.801 7.467 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084546513 LLBWHYAXGOJQMT-VWLOTQADSA-N 545.463 6.334 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)OCC 1084608826 BKFKNDYXSVBVBH-UHFFFAOYSA-N 565.670 6.286 50 10 KKGE CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@H]32)N(C)C1 1848432704 QPYJMHIDEUSFNK-DDMKUHEOSA-N 807.813 7.094 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865691019 HEAANYNRGALVIL-HXUWFJFHSA-N 509.404 5.348 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865691068 ILYLRGWMKGFGTQ-JOCHJYFZSA-N 537.458 5.984 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OCC 1865691593 VZLBTDOXNSKXQU-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1 1865693328 IWDPOZFTVIPHIX-IBGZPJMESA-N 506.887 5.750 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865696430 MNNHDMUXFLEQNR-PMERELPUSA-N 564.686 7.042 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702455 VQBBZQPTMIJIJH-IBGZPJMESA-N 532.211 5.707 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(N(CC)Cc2ccccc2)cc1 1865707286 SLIARAGMUYRDFL-MUUNZHRXSA-N 519.649 6.213 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711663 FAJAXYMCDFHNGB-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867134237 MGPCGRWZHLTMQA-WDYNHAJCSA-N 584.539 6.910 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868455815 CQMWBFLKPFUROO-DEOSSOPVSA-N 518.017 6.831 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@H]3C3CCCCC3)nc(-c3cccnc3)n2)cc1 1868564857 FXRSZURRYONGJB-JGCGQSQUSA-N 557.727 8.021 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Cl)c3)cs2)c(Br)c1 1872748376 VEOXXIRMYMFMGC-UZYVYHOESA-N 503.849 7.440 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 1872780562 CKXTZLWGLMBQPA-XQNSMLJCSA-N 500.465 7.663 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 1872784548 SWNFTYBTVIHFIB-HZHRSRAPSA-N 500.465 7.663 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873793740 WLDNFGHRAUHVTA-AKLYFZKISA-N 508.018 5.505 50 10 KKGE C[C@](CCl)(CI)OCc1cc(I)ccc1Br 1902314621 IBWNJEVOBBRONT-NSHDSACASA-N 529.381 5.003 50 10 KKGE O=C(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915312435 JTTIOTFKUZSMLU-GOSISDBHSA-N 516.071 6.028 50 10 KKGE Clc1ccc(C[C@@H](Br)c2cc(I)ccc2Br)nc1 1918240515 WHCNSTYMVXCTMH-CYBMUJFWSA-N 501.387 5.781 50 10 KKGE CC(C)(c1ccccc1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924597092 XMMBAQJXXPJITR-NSHDSACASA-N 531.933 7.449 50 10 KKGE CC1(C)[C@H]2CC[C@@H](C2)[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616787 STXZJKGBIUSAHJ-YIKMNZTOSA-N 535.965 7.544 50 10 KKGE CC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784253 SQHMUJMMQDLTEQ-OXOINMOOSA-N 554.740 7.219 50 10 KKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 2026217517 LBZLXZKRXOZJSS-GOSISDBHSA-N 520.636 5.960 50 10 KKGE C=CC[C@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@H]2OC 2037666384 YGXDKYAIMAMUAT-UPMUAMQWSA-N 920.311 7.460 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OCc1ccccc1C 2053612913 SOPIBIYUVQOXJO-UHFFFAOYSA-N 662.278 6.794 50 10 KKGE CCC(C)(C)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493071 WXAFGQKYYMTHCQ-SECBINFHSA-N 526.332 7.843 50 10 KKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)C1CCCCC1 2123369007 GHOKINDFMZZPFB-UHFFFAOYSA-N 501.284 5.868 50 10 KKGE CC(F)(F)[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470195 ZEPLHBZDADAEAU-ZDEZVYLVSA-N 590.720 7.464 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141477332 OUVCKXXGANIIHH-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2201874727 HWAULSCMFZEXSM-ZKQGETEISA-N 527.525 5.577 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 2202351890 KVGIKWFHYUDZFF-AWEZNQCLSA-N 548.294 7.120 50 10 KKGE CC[C@@H](C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206397256 HDDSZFWZUZDTJX-DTWKUNHWSA-N 598.837 8.635 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)c(Cl)c1Cl 2232508497 GEXXGLYMYDJCLJ-LLVKDONJSA-N 634.158 8.261 50 10 KKGE Cc1c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)nn(C)c1Br 2232512630 ODCHGDAHRZMHSX-MRVPVSSYSA-N 526.281 6.698 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(C)c(I)c2)cc1Br 2232833360 MQUDIMSTNOFALL-INIZCTEOSA-N 510.007 6.245 50 10 KKGE Cc1sc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(C)c1Br 2234465349 VTBTVELQLVFDGF-VIFPVBQESA-N 513.036 7.455 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 2240999935 DTHRICKPUUCZJG-INIZCTEOSA-N 507.991 5.781 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2282898178 AZXMJWKZOHQLTP-AWEZNQCLSA-N 550.285 7.559 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2283575356 VIWPEVWGKGTFSI-INIZCTEOSA-N 528.453 7.117 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1I 2293202246 VERSEDZKBDCHMS-UHFFFAOYSA-N 519.682 5.658 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2294609921 MHDCGSAUDKZQPU-UHFFFAOYSA-N 553.192 6.871 50 10 KKGE O=C(NC(=CSc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297497947 LTKWQJFMVROUKY-UHFFFAOYSA-O 551.071 7.655 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc(Br)sc2Br)c1 2299493881 MDSBEFDOJXGHGR-KRWDZBQOSA-N 595.976 8.099 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313546015 WFBCTJHUCCCMJX-UHFFFAOYSA-N 615.355 6.989 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592946 DUFAENSPMNGFDU-JOCHJYFZSA-N 534.003 6.211 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593686 RCEOSUWHCUFDEN-FQRUVTKNSA-N 549.618 6.626 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3C)C(C)=C(C#N)C2=O)cc1OC 2314616892 METWOBZVBDZUFQ-UHFFFAOYSA-N 616.718 6.487 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Br 2314618014 FWKDDJSUBLDXEB-OAQYLSRUSA-N 593.481 6.664 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 2314618173 INIKGWUVEYZXJA-VWLOTQADSA-N 619.747 5.923 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314619600 CHPYRGBPWWYAIF-DEOSSOPVSA-N 666.203 6.406 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 2331339280 UWQLBGOOWQLABD-FQEVSTJZSA-N 509.587 5.986 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)[C@@H](C)Oc2ccc(Cl)cc2Br)n1 2331373120 BOLFHYMDUCYJII-CQSZACIVSA-N 519.848 7.112 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccc(Cl)cc1 2331453850 SESCBKVTZNMTGR-UHFFFAOYSA-N 502.979 6.844 50 10 KKGE Clc1ccc(CC[C@@H](Br)c2ccccc2Br)c(I)c1 2341032437 MCFASMFWYQJANA-CQSZACIVSA-N 514.426 6.776 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)cc1Br 2365188740 NVWAMLOXHOYURD-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE CC(C)CO[C@H]1[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2377614904 MIIAZOOWBGGFFC-VHDGCEQUSA-N 518.027 5.147 50 10 KKGE O=C(N/N=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1sc2ccccc2c1Cl 2395793 AEGPTDSINHJHCL-IHMSYIQPSA-N 521.041 7.906 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13563019 RJDMMKWKUGAPRX-UDXHRHDRSA-N 512.393 6.197 50 10 KKGE Cc1ccccc1Cn1c(C(=O)N2CCN(C(=O)[C@@H](Cl)c3ccccc3)[C@@H](C)C2)cc2ccsc21 35844208 FDXNEFWQWVGSLM-CPJSRVTESA-N 506.071 5.713 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 48573808 KPBIHOGAUSEYFI-STBIYBPSSA-N 523.427 6.128 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 58891437 BJKFEUUUXGQWOJ-AKDZIANASA-N 510.974 5.010 50 10 KKGE Cc1ccc(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 59460509 KLADBULZZNJXGT-QLYXXIJNSA-N 505.512 5.187 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1 96577249 UWUPRKDQYVFCIZ-ATJXCDBQSA-N 507.634 6.962 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)ccc1OC(C)C 97914903 QWHPSXLAJRAETO-MHZLTWQESA-N 501.067 5.630 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100121976 NDYLHSLLXGRYET-LOADRWAISA-N 557.563 5.667 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 100145632 LAZWXPWFMQHOBQ-IDVIIUIWSA-N 558.638 5.828 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 100154398 UELDJUVTCXCWPP-UHFFFAOYSA-N 503.668 5.503 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100194293 VVHBFRTVRJWJEC-UHFFFAOYSA-N 556.482 5.012 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3F)cc2Br)cc1 100233421 NBWOSWTULQWGID-LCVHJTKWSA-N 559.432 5.538 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100327447 ZLLMIMVUHPSHBZ-HSMHNTNPSA-N 576.285 5.763 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034149 NTPSDMTZRAOYOP-GZTJUZNOSA-N 574.967 9.066 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@@H](CC)C2 101193861 BLCDWQZRCRXKHM-WDMNMGCXSA-N 542.579 7.264 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246548 MAKZUSJYVHPAAC-LVVXZCGBSA-N 532.065 6.537 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101293615 BTPNTZDZAVXEMA-WJOKGBTCSA-N 548.570 6.407 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101335229 GVAFWYYWHJHLCS-OVVQPSECSA-N 524.621 5.203 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCC(C)C 101374435 AVBXZEUORGRFKN-AREMUKBSSA-N 549.967 5.729 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381132 RVXYNMGVGABLPO-SSEXGKCCSA-N 591.422 6.914 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390014 VSVGXEFWARVZFX-DEOSSOPVSA-N 535.452 7.769 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)oc2c1 101397656 HLCVYQLIULESNK-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101398637 DFSKVHNMBAHEIY-LOYHVIPDSA-N 550.542 5.368 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1cccc(C(F)(F)F)c1)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2 102919183 GOPJQOVJFYPZAU-GLQRLXNTSA-N 598.613 7.963 50 10 KKGE N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 103446804 VZJQGSZSRIFDGT-FDBXNZQHSA-N 555.082 5.128 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl 103789392 CBTKNJMQSIZVTP-XQNSMLJCSA-N 536.459 6.227 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 103883674 KFLJLNCNFDLRGL-PXLXIMEGSA-N 577.435 5.201 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 105066800 HDFZXMZMVXCDRI-OCSSWDANSA-N 538.405 5.544 50 10 KKGE CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 105626892 OUWCJPSBMWQLAN-PPDIBHTLSA-N 549.208 5.697 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400441 DJMOBJZNPXKTPT-QFSJPRKCSA-N 890.026 8.151 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 150498058 UXZHVIUGYIAYDV-KDIMXHFCSA-N 641.794 5.367 50 10 KKGE C=CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164638367 ZSJSYHQTYONFOZ-AUEPDCJTSA-N 651.036 5.733 50 10 KKGE CCC[C@@H](C)c1nc(N2CCCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 169678445 MHLKGEAWDUTUAR-IBVKSMDESA-N 549.094 6.185 50 10 KKGE C[Si](C)(C)O[Si]1(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O1 196158878 FKYUCQIMXRPQRE-UHFFFAOYSA-N 889.860 8.621 50 10 KKGE Cc1cc(C)cc(P(C[C@H]2CC[C@@H]2CP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 207398926 REZOVLQIMMUCQH-KKLWWLSJSA-N 564.734 8.746 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 214272451 DXYGFTYVUFHIPN-PKAZHMFMSA-N 524.690 6.680 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214307847 WYQGYOYLEWQDFL-MIXAMLLLSA-N 552.675 6.042 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccccc1Cl)C(=O)NN=Cc1ccccc1OCc1ccccc1Cl 252623015 OIABQYUSZJMJCM-UHFFFAOYSA-N 575.452 5.752 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530916 DSFGYHDOOABSRG-RTIXYHAYSA-N 672.222 5.917 50 10 KKGE biogenic COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254429863 LIIHDEASOUUKHY-UHFFFAOYSA-N 545.665 5.197 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 254522526 CVGHEUMHGZYEMX-UHFFFAOYSA-N 509.562 5.327 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)C1 254716677 RIDOXIWGNBEEGE-RBISFHTESA-N 550.637 5.208 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)N=[N+]=[N-] 306146259 DFUOSUDIKSYZMW-QWJSBOCESA-N 523.879 9.902 50 10 KKGE CC(=O)c1cccc(N(C)P(I)(c2ccccc2)(c2ccccc2)c2ccccc2)c1 585668854 WUUCXJUSFQVENH-UHFFFAOYSA-N 537.381 6.120 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586788 HODUUTHQNQITGS-IFDRYBKASA-N 779.062 9.261 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)cc1 616691520 CTHZISXACYLFMR-MHZLTWQESA-N 526.914 8.246 50 10 KKGE COc1ccc(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721616468 UOXYCQYATMIUBI-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1083962633 PREYDKIGEAOOOQ-UHFFFAOYSA-N 553.990 5.493 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)c2ccc(C(C)C)cc2)cc1 1084013337 LXGQUXSPWRMUEH-UHFFFAOYSA-N 605.760 7.196 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084027247 NADSUVPSMLIKFH-UHFFFAOYSA-N 521.042 5.093 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 1084212860 HPHGXXZPMRHEJD-UHFFFAOYSA-N 606.698 7.353 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(F)c1)c1cc2cc(Br)ccc2o1 1084271706 XSOVWVYGVLQQTG-UHFFFAOYSA-N 546.190 6.440 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C)c1 1084276414 VDJXOFOXNAJALN-UHFFFAOYSA-N 500.646 7.241 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 1084436921 RBRQRIYMJVLTDE-CJLVFECKSA-N 547.409 5.192 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C)cc1 1084465742 XJOUEPJUBPEEDG-UHFFFAOYSA-N 540.357 5.697 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 1084530458 LHSBVNTUCAULQI-DEOSSOPVSA-N 525.443 5.699 50 10 KKGE COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 1084625407 MTPQCJCIMPUIBM-UHFFFAOYSA-N 533.382 5.896 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653108 HLPOWKMHRFCKSL-QNOVMCAUSA-N 530.093 6.767 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 1615961712 HUVFLYLOFZETGG-CXCSHNSDSA-N 575.684 7.218 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 1772724430 VIRUFCJMHHDFHR-NDEPHWFRSA-N 547.709 6.894 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683580 MXMPNWJVDGCMRH-HHHXNRCGSA-N 505.622 5.508 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1865688411 RGGBNKJVFHRREA-YTTGMZPUSA-N 542.639 6.838 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OCC 1865688836 CGYLBYYJOTYQLM-AREMUKBSSA-N 527.024 6.267 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865690191 LASIAFSEBXTUJL-MHZLTWQESA-N 524.596 6.143 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OCC 1865691121 JVFGAGLJDPBSGC-MHZLTWQESA-N 518.633 6.209 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692635 ODEFZVUFQPEXQR-DEOSSOPVSA-N 559.420 5.546 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865694751 AUGYRKMGIZXIHG-MHZLTWQESA-N 575.496 7.642 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696847 RUJJIEXSXNPUHM-MHZLTWQESA-N 569.533 7.377 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701084 LHUXAEIVRMLZRR-AREMUKBSSA-N 547.442 6.547 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866670938 UQHAHVRHRQZUBC-VWLOTQADSA-N 544.608 5.280 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@@H]2c2cn(C)c3ccccc23)n1 1868301779 XULKJLIRKSXWOV-LJAQVGFWSA-N 545.672 5.938 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)nc(O)c2cc1OC 1872727757 YFMASLHDIDRGBP-LICLKQGHSA-N 508.361 6.303 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872753196 LOXUBYGCEGKYRL-VYIQYICTSA-N 516.582 6.080 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(Br)c1O 1872792669 KUBPIHCHLOZXJT-QDEBKDIKSA-N 512.212 6.666 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)oc1Br 1923074209 IPZYYFCBOJMATQ-ZCFIWIBFSA-N 528.285 7.075 50 10 KKGE Cl[C@@H](c1ccccc1I)c1c(Br)sc(Br)c1Br 1924586373 XAUNDKKBLRXRRB-VIFPVBQESA-N 571.297 6.968 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1sc(Br)cc1Br 2003561683 XNIUQLYYEWKSSQ-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE CN([C@@H](c1cc2c(cc1P(c1ccccc1)c1ccccc1)OCO2)c1cccc2ccccc12)[S@@](=O)C(C)(C)C 2080758674 GGIJOJJRUYYYEK-HQIVZWIISA-N 579.702 6.810 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2scc(Br)c2Br)c1Br 2083334803 UMXDNLWOJSMBBM-NSHDSACASA-N 538.324 7.435 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2085499890 KWVWSNZIOIQSCK-WOKRAHDESA-N 569.755 6.171 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)cc2F)c1Br 2138848292 AKBLUSFIHFLADW-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cc1ccccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476620 DGFPDZUZRVYXBV-CQSZACIVSA-N 532.295 7.373 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 2165550904 GJAXCHKMESDSOD-ZWKOPEQDSA-N 632.445 5.300 50 10 KKGE CC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 2184814790 PYMRWNYCUUJIIV-VIFPVBQESA-N 553.886 7.632 50 10 KKGE Cc1ccc(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206403792 MSFVGVLTWKZOLK-LBPRGKRZSA-N 546.322 7.568 50 10 KKGE Cc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1I 2207101085 FSTIBAAMOVPLRZ-OAHLLOKOSA-N 554.991 5.623 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2coc(Br)c2)c(C)c1Br 2220148686 AIVPNLZGVRJVOJ-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(I)sn2)c(F)c1Br 2220510516 ONOSXBNUVXZHJV-SECBINFHSA-N 512.914 5.412 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccccc2I)c(C)c1Br 2227354758 XMVDDGXEIWTJJP-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(Br)cc(Cl)c(Cl)c1Cl 2232515067 YHBIOYUFQIPKCR-NSHDSACASA-N 528.801 7.481 50 10 KKGE C=CCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 2293198146 ZAXFHSSNTPYZTL-UHFFFAOYSA-N 524.573 5.111 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1OCc1ccccc1)c1cc(Br)sc1Br 2299499551 ZQBCIBZGVLGQJV-KRWDZBQOSA-N 551.525 7.943 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@@H]3CCO[C@@H]32)c1Br 2312064197 VYYXVJIZKBWIJP-AYIQHRPESA-N 568.723 6.208 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1 2313518137 MFDDVENUPOMRAJ-UHFFFAOYSA-N 552.412 6.350 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2313570664 CIECULKYHXZAJY-UHFFFAOYSA-N 568.891 9.317 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313683458 HFTYWIKUEGEMCV-UHFFFAOYSA-N 535.747 7.246 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 2314477998 DXKQLMYZLZWVPT-UHFFFAOYSA-N 510.597 6.972 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314488739 ORDPJDJDLSJLCZ-UHFFFAOYSA-N 501.907 6.802 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591642 AIGFGJJREBSDBF-DEOSSOPVSA-N 554.455 6.076 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592116 MDCLZJWZRRHNQD-DEOSSOPVSA-N 588.007 6.441 50 10 KKGE CNC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314593046 GKWWUXQQOLDOGR-HXUWFJFHSA-N 507.965 5.654 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594007 XLFGTVSIYAAAJE-WINIVTDRSA-N 564.538 7.420 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314610851 NBJOVNSQTWLPMY-JOCHJYFZSA-N 577.084 7.162 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 2314616483 BVQVOZJXXWCFNV-UHFFFAOYSA-N 651.163 7.224 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 2314634325 CTHSBUYXICDWQY-AREMUKBSSA-N 533.378 5.303 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 2314789695 VUSKNXGDXTVZEU-UHFFFAOYSA-N 513.432 5.689 50 10 KKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331231845 JSEYPJXPKUZLKY-MHZLTWQESA-N 519.626 6.981 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)n1 2331391890 RXVUTBMCRVIQPW-UHFFFAOYSA-N 507.999 5.982 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1OCCC 2331438025 RTDUOEQRVNLEEB-UHFFFAOYSA-N 507.568 6.131 50 10 KKGE CC1(C)CCC(C)(C)[C@H](Br)[C@H]1Cc1ccc(I)c(Br)c1 2377262709 BHAIRLDPKSLTQH-IUODEOHRSA-N 514.083 6.822 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14652701 KHPXIUYPYQPNAB-UHFFFAOYSA-N 504.208 5.165 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1 33568593 FLFLBFWZXYOWMU-SZXQPVLSSA-N 510.597 7.151 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c(OC)c1 38657188 QLWJXURKUZQETO-WRHNGFHOSA-N 514.578 5.418 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38681754 FCFKHCFRJYLALJ-MHZLTWQESA-N 504.970 5.640 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38684580 XFVHWJBISCTZIW-HHHXNRCGSA-N 516.981 5.724 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 38686501 VPKFMIKJBOUOLF-GDLZYMKVSA-N 504.542 5.712 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 38686862 AYDSZMKOCNFCII-PMERELPUSA-N 522.532 5.607 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 39884857 JXALQPPRBHFGRJ-OQLLNIDSSA-N 502.279 7.366 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 40530402 XYVJUUJAXIJSAM-MUUNZHRXSA-N 508.574 6.530 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(=C/c1ccccc1)c1ccccc1 40870005 FHLNQSYHGNXELJ-JUWMQZRYSA-N 514.581 6.065 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 40870049 KIOIMLSBXBYHPB-YBFXNURJSA-N 511.361 5.210 50 10 KKGE CCCCCOc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 59151632 CRGMDWNEEQKWOP-JVCXMKTPSA-N 510.421 6.243 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1sc2ccccc2c1Cl 100061485 NEUPNCITSKEIMB-UHFFFAOYSA-N 568.674 6.073 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 100237324 RFSQDFLHRXFLBH-ZZJXEYPFSA-N 535.855 6.588 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc2ccccc12 100238210 AUGSOCGGMHCWHK-UWNYQIKHSA-N 552.671 6.519 50 10 KKGE CC[C@@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100258694 JFZGUMOWKQOQBQ-CQSZACIVSA-N 609.340 5.257 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C1 101014164 JDHIFVYHWAXWEX-COCMXYBASA-N 557.720 5.125 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101231071 OBGOEFBBUOFJSP-RDRPBHBLSA-N 561.041 6.550 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 101336434 IMWAPRGMYANQJN-CVKSISIWSA-N 547.590 5.655 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)c(C)c3)C2=O)cc1OC 101339213 KBJWFHFXJULFQG-AJBULDERSA-N 630.745 6.735 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101341002 QNFJIWJWIRZWCA-JVWAILMASA-N 552.631 5.038 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101368356 LJQFJIYJIMQWAS-XBBWARJSSA-N 546.595 5.850 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)c1 101376771 YLZVCRCGSAZQRS-HHHXNRCGSA-N 530.577 5.329 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101377125 YKLSJLAVHIOAIY-MHZLTWQESA-N 567.469 7.398 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1F 101386859 YGGDVLRIKULQJG-YTTGMZPUSA-N 601.030 6.578 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387723 XKESRPMXJOVSMY-CJXZRDRPSA-N 627.524 8.117 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101392761 CHTNLJRJKKIHFR-SANMLTNESA-N 530.964 6.239 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613651 OYNMNWMIHBECFG-FEZSWGLMSA-N 589.433 6.582 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615183 IIIKRQFLRABBMC-IIHBXENTSA-N 610.280 6.107 50 10 KKGE Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103734106 OBRDGTVFUMICIS-JQAMDZJQSA-N 525.716 7.105 50 10 KKGE Brc1cccc(C[C@@H](Br)c2cc(Br)c(Br)s2)c1 128201110 MQDKPFIMJKVPIK-SECBINFHSA-N 503.879 6.714 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150402329 INABXHIOXJUFLQ-JGFAXXQYSA-N 664.809 5.967 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1cccc2ccccc12 150541768 GLVBTPLUQGNACG-XKZIYDEJSA-N 642.415 7.987 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205653278 MULJXNPYFJBGPZ-JCNBUMAZSA-N 512.562 5.330 50 10 KKGE COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 206562970 OLKPOVZVIGXVRC-XDURGXAYSA-N 596.881 5.985 50 10 KKGE in-vitro CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 207201218 RJEYPBDFWNVLQO-HJHGFDQJSA-N 521.708 6.987 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 214291851 MNCLTLFBGNJHKY-ITYLOYPMSA-N 526.662 5.670 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214306394 UQOKBZFJTXXVAM-RGXNXFOYSA-N 604.682 6.665 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 214369770 SMIFICFQDMGLDQ-GIBOGKFOSA-N 644.772 7.351 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1I 232343454 NKPPSOSRSLBWQA-JTQLQIEISA-N 571.297 7.015 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 245189615 XDBLYTWRNMYVCA-SAYRALIOSA-N 544.937 8.836 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 254316722 KYKTVVQBLDXLSA-YLKNSCKQSA-N 534.741 8.245 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 254458491 RUQWZLVMNPZZAT-UHFFFAOYSA-N 506.775 9.286 50 10 KKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(OC[C@@H]2CCCO2)cc1 254524605 MXHWTHMFNSGFLD-VWLOTQADSA-N 526.511 5.487 50 10 KKGE O=C(CCCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254617575 YTKFYSDCWQNOJD-UHFFFAOYSA-N 548.643 5.615 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cc(Br)ccc1O 254743961 HPAPFJYKMWNMFS-UHFFFAOYSA-N 529.221 6.831 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1OC 254772427 VZYPJLRASRNTDI-UHFFFAOYSA-N 510.546 5.119 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c(OCCC)c1 254795222 OZYOOYHMDCNJIH-UHFFFAOYSA-N 519.692 6.930 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](Br)[C@@H](Br)C[C@]4(C)[C@@H]3CC[C@@]12C 254851290 KFRQNXHOVDCRIV-MFDFQZJOSA-N 530.473 9.245 50 10 KKGE CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019908 LULQKOWJUIMTBL-JEBQAFNWSA-N 516.156 5.813 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C/c1ccc([N+](=O)[O-])o1 306146552 JTUXTPWYZXWOIB-GRUBJFEESA-N 630.445 5.580 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H]1O 575416032 OIGMHIMRSGHQEE-SXUXBNOUSA-N 926.263 6.456 50 10 KKGE COc1cccc2c1CC[C@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237976 OJQZPXQTPPDTPK-UUOWRZLLSA-N 537.003 5.762 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1C 725390910 JERWHPYFUQWYOD-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000312 IDKDEJKAOLGAAX-BMXZUVLWSA-N 604.619 6.173 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c2ccc(Br)cc2)cc1 1083846918 AMXDQMVVKSENFG-UHFFFAOYSA-N 669.985 5.774 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084033410 RIPLJBHXBZAPKV-UHFFFAOYSA-N 643.644 5.684 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(C)c1 1084156913 DOHJVKONUCHGIY-KOEQRZSOSA-N 607.492 5.833 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1c(Cl)cccc1Cl 1084172839 BJPKMODZZVYXRC-DHDCSXOGSA-N 522.215 7.433 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 1084284278 ZKRLDEAMHCMGHC-AREMUKBSSA-N 516.594 5.055 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1Cl 1084570926 BLXJXDRYKOGWAW-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 1084636227 YTJMUKHBSNVCCN-XMMPIXPASA-N 608.302 6.292 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 1772755197 UHVPYQHKEARAAM-UHFFFAOYSA-N 624.626 7.700 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1C 1772755229 VQKXRDJHZAANLJ-UHFFFAOYSA-N 616.990 7.364 50 10 KKGE CCOc1ccc(Cc2cc([C@@]3(O)O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C)ccc2Cl)cc1 1857790240 UTFIOIDDBKLFAJ-NKVOBILMSA-N 713.609 8.385 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OCC 1865687189 LQWMXRUMCJEBCX-MHZLTWQESA-N 500.643 5.988 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689231 NBGONJBDEQBSGO-VWLOTQADSA-N 548.430 5.942 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865691076 IOUKSJZWUGXCFM-AREMUKBSSA-N 525.008 6.043 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865691882 DDWSCBRFOMLZEO-HSZRJFAPSA-N 571.903 6.646 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(CC)nn2-c1ccc(Br)cc1 1865692085 AKJWXCFCCQBORC-OAQYLSRUSA-N 509.404 5.213 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865692951 QGYHKXMFELNFKB-NRFANRHFSA-N 539.430 5.264 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865694084 UFQFNLMAEGGPJL-SANMLTNESA-N 557.050 6.276 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)ccc1OC(C)C 1865697605 XXLBLOJUSWETPG-SANMLTNESA-N 545.014 6.405 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865703231 QVHQTNGCLUROFF-SANMLTNESA-N 545.014 6.406 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1C 1865703270 RYMVEBNOSZGECW-HKBQPEDESA-N 534.660 6.361 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710641 DEUDCWMCMNTWFD-SANMLTNESA-N 538.529 6.938 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713036 PBOFZCGMVXDAAO-DEOSSOPVSA-N 517.416 6.440 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866667356 NPDYIJFMTCTYLS-RUZDIDTESA-N 531.037 5.785 50 10 KKGE CC[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041352 ZKXVYPQTISXJJL-UXHICEINSA-N 529.485 5.534 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(Cl)c4)CC3)nc(Cc3ccccc3)n2)cc1 1868207029 DEIINDMZCIJJFB-UHFFFAOYSA-N 555.151 6.792 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)nc(-c3ccccc3)n2)cc1 1868364752 FNHXHXSELXFTPR-UHFFFAOYSA-N 521.606 5.634 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)n2)cc1 1868528230 QHNWJBGZQPEKCP-UHFFFAOYSA-N 558.689 5.069 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4nc5c(s4)CCCC5)CC3)nc(-c3cccnc3)n2)cc1 1868565128 INSSJKAVSWLYKE-UHFFFAOYSA-N 525.707 6.575 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)ccc1F 1872749992 RMKQRRLPZYYLAH-SILNSSARSA-N 507.812 7.325 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c1 1873921085 UOIBRWDTDTUPRV-SOFNNGJSSA-N 521.820 6.503 50 10 KKGE Fc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1Br 1922943127 VBTRQGVYKKPECS-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COc1ccc(Cl)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924601288 WMROHGIJAQXSGG-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2053612178 ZUFMOUFQBYZIHB-WUGFWJADSA-N 885.088 9.507 50 10 KKGE CC1(C)CC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085498702 CJOUOQHMAGNMSW-LDWIPMOCSA-N 568.767 7.609 50 10 KKGE FC(F)(C1CCOCC1)[C@@H](Br)c1c(Br)sc(Br)c1Cl 2128896051 MSIMQAXWQAMCDB-QMMMGPOBSA-N 503.428 6.424 50 10 KKGE CC(C)(C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2141469902 XPQSKKJUYWSNIQ-JTQLQIEISA-N 538.343 7.843 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2169667507 GOBKUAWKJZURNC-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE CC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2184815111 UXWWDADXOJNOOG-VIFPVBQESA-N 509.435 7.523 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)c(F)c1Cl 2201614636 IFXXZHVZPIGXPW-LLVKDONJSA-N 509.797 7.234 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2203688001 SNYJWVVADDXXHF-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE CC(C)[C@@H]1CCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396351 VXZLFZMBWBDURN-QQXLSSBLSA-N 552.370 8.089 50 10 KKGE Cc1cc(C)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397097 DYMBNZOAADNTPS-ZDUSSCGKSA-N 590.773 7.838 50 10 KKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1ccc(Br)cc1I 2207272187 NINHKJUUSFKRFM-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE CO[C@@H]1CC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2220513103 IEWKZDWXZPXHRZ-PTOCZWBJSA-N 526.288 6.442 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)c(Cl)c1Cl 2224311683 NAKONGSTZYHLQA-QMMMGPOBSA-N 593.187 8.480 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC(C(F)(F)F)C1 2264517688 MTSZRMCKJIZOHF-JGPKUNILSA-N 549.870 7.450 50 10 KKGE COc1cc(C=C(C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Br)cc1 2294619996 ZJKSKDZEGOQWOS-UHFFFAOYSA-N 517.192 7.002 50 10 KKGE Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc(C(C#N)=Cc2ccc(C(F)(F)F)cc2)cc1 2297563478 XJUYENVYSSSCDR-UHFFFAOYSA-N 543.328 8.259 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313568863 ZSMZDDNUTGNQHO-UHFFFAOYSA-N 520.402 5.423 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 2313738805 QGZVEUBTJHKPDY-UHFFFAOYSA-N 501.340 5.906 50 10 KKGE Cc1ccc(C(=O)Nc2sc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2ccc(C)cc2)cc1 2314432904 HGLGVMZFLOGXJE-UHFFFAOYSA-N 580.691 6.651 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314487277 HLWOGVBPCFADBS-UHFFFAOYSA-N 527.333 7.411 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592531 WUEPNHPJUZAHOD-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314617430 YEZFUYFHBLKTEF-UHFFFAOYSA-N 548.687 6.808 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2314640670 JWFDVEOSLQGMRO-UMSFTDKQSA-N 625.552 8.707 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646927 UYRZRJPYRWYZRN-MUUNZHRXSA-N 618.715 5.243 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)cc1OC 2314750921 DMQKVTQRVCEKFH-UHFFFAOYSA-N 532.593 5.411 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2314754856 FQZLNUNRZCQHCT-UHFFFAOYSA-N 515.349 5.193 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240315 XEDZAIGPAIKYQJ-UHFFFAOYSA-N 521.573 6.578 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)cc1C 2331382828 MMAUOBNRGKHCMJ-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc(OCC)c1OCC 2331409145 ZHRPSOLLILBVBE-UHFFFAOYSA-N 501.004 6.618 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@H]1Oc1cc(Br)cc(I)c1 2338886974 KQJXLVLYZCCXQB-BFHYXJOUSA-N 504.000 5.010 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CCOCC1 2361171107 JBCYJATVCPPRAZ-SFHVURJKSA-N 508.172 6.823 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1sc(C)c(Br)c1C 2365226987 ALEFJKRHTGITGI-GFCCVEGCSA-N 549.923 7.584 50 10 KKGE BrCC1C[C@@H]2C[C@H](C1)CN(Cc1ccc(I)c(Br)c1)C2 2377326088 ZJBIIQFJSMASMS-AGUYFDCRSA-N 513.055 5.297 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14645650 UWJRNWSMNCZQHD-ZDUSSCGKSA-N 518.235 5.409 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 14648651 WNCNUKOQLMLOGD-UHFFFAOYSA-N 512.857 5.011 50 10 KKGE C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 34914011 XHFNTLHKGSYPAS-MUFRIFMGSA-N 504.995 6.032 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1 38650868 FTVTWOLITAXXTA-WRONEBCDSA-N 512.606 6.019 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 38659633 BRSBDQBTNCVJHK-HHHXNRCGSA-N 520.969 5.258 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38660084 BHDQYAPJHXVUIZ-MUUNZHRXSA-N 500.551 5.077 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 38683961 BSIFMQNSWKPXAZ-LJAQVGFWSA-N 514.578 5.249 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 38700651 LHTRGFYGZNMUEP-NDEPHWFRSA-N 508.574 6.530 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)cc1 40813834 MKTJSJCDFMSONB-MUGXBBEHSA-N 521.617 5.910 50 10 KKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 40823204 SPHPBYILDABCEO-AMVVHIIESA-N 508.390 5.414 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240997 OIZSAEYRTOOAPR-SCHJHDHGSA-N 550.511 6.859 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 101338269 BTQKWOQKSNDUAE-LHLOQNFPSA-N 500.639 6.269 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362628 LRBBOIQFCAUOMB-HKBQPEDESA-N 532.596 6.492 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 101370444 XAPDNFXAJZQKGY-QLXKLKPCSA-N 533.422 6.164 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382789 ZMYMLODLZWGSSV-LSYFYCNPSA-N 591.107 8.053 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384737 GCHRLYJENDSZKZ-ZYIRFCGZSA-N 625.552 8.707 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385151 HEFDBPNSJLZZEA-PMERELPUSA-N 553.014 6.673 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc6ccccc6oc5=O)ccc43)cc2)cc1 101397404 LZCLUYJTMFWVEV-HKBQPEDESA-N 556.574 6.118 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)oc2c1 101398142 GBHKWVGZZWDDMJ-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399377 FIDLZUIUETXRDR-YTTGMZPUSA-N 607.062 7.728 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101399627 OTNDFZZDZVDMRG-CZNDPXEESA-N 590.632 5.936 50 10 KKGE COc1cc2c(cc1N/C=C(/C#N)c1nc(-c3ccc(Br)cc3)cs1)oc1ccccc12 102421438 DPKVDDQVMFIDRI-SSZFMOIBSA-N 502.393 7.457 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)S(=O)(=O)c1ccc(Br)cc1 102898380 KXLOYSNYUBBJGU-YBEGLDIGSA-N 538.173 5.718 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 103649505 KMJJACXKCUITCQ-CHHVJCJISA-N 507.921 5.969 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2Br)cc1 103795841 FDILDGRGSOZVGC-UVHMKAGCSA-N 542.227 6.609 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 103796536 BXSCPTOXZDMYKN-HASSKWOGSA-N 623.938 8.083 50 10 KKGE CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1 103806503 HHBYVTWIVGTKGS-CCVNUDIWSA-N 604.626 5.705 50 10 KKGE Cc1ccc(COc2ccc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)cc2)cc1 105064470 ABTVUSVUILEGJB-HNSNBQBZSA-N 565.471 6.953 50 10 KKGE COc1ccc(/C=C/C(=N/NC(=O)C(=O)N/N=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 105636899 QQUIUQDSOPKNSX-GQIBYVRJSA-N 618.690 5.489 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 109557457 HDOKHBHJPUTIJK-CYVLTUHYSA-N 542.598 5.627 50 10 KKGE COC(=O)CCc1c(Cc2[nH]c(Cc3[nH]c(C=C(C#N)C#N)c(C)c3CCC(=O)OC)c(C(C)=O)c2C)[nH]c(C=C(C#N)C#N)c1C 140593134 NCNZZSDVGXOBGY-UHFFFAOYSA-N 633.709 5.053 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433613 UBTLJFAGPBZAFG-UUWRZZSWSA-N 637.519 8.562 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1F 150442859 SGBXSHIRXWJSJJ-AREMUKBSSA-N 656.535 6.701 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463876 SOLQCTCJWGAJKA-YJQDUFNZSA-N 662.768 5.643 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214408836 RNEQPNBPZITMJV-MIXAMLLLSA-N 562.670 6.973 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 214409327 YSUUPZSYIUGSPL-MIXAMLLLSA-N 546.602 6.260 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 253530189 LMCNYCSDWPLKPZ-MIKHJJJFSA-N 505.227 9.203 50 10 KKGE biogenic C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253565985 IKLSCTSBZWGJMB-ODIUUIGESA-N 606.200 5.701 50 10 KKGE O=C(COc1ccc(Cl)cc1)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 254767209 YFYFCXRVTVARBJ-UHFFFAOYSA-N 566.633 5.613 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)n3)CC[C@@]1(C(Br)Br)[C@@H]2Br 256018963 CKDJYEUJHHCDQS-IFRYIMCDSA-N 882.950 8.330 50 10 KKGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028543 TYEOVZIAEQNQLC-UHFFFAOYSA-N 535.489 5.398 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2sccc2I)c1Br 311228646 QKNZKAIMLGAOBB-ZETCQYMHSA-N 531.982 6.680 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c(Cl)c1Cl 404894315 YGNFNRWBGSFVGZ-SSDOTTSWSA-N 548.736 8.371 50 10 KKGE C[C@@H]([C]1C=CC=C1c1ccccc1P(c1ccccc1)c1ccccc1)P([C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 585658282 CGFLFABMIGBJIL-RZKUBPQASA-N 573.721 9.220 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H](C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 685945287 NMORUBFNQSAMHF-LJEWAXOPSA-N 726.946 8.477 50 10 KKGE COC(=O)[C@]1(CCOCc2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654308 OCCPPDNJVIHZIF-SVEHJYQDSA-N 527.734 5.938 50 10 KKGE CC1CCC(CBr)(NC(=O)c2ccc(I)c(Br)c2)CC1 721573313 QWQVHNLEHIGJRE-UHFFFAOYSA-N 515.027 5.127 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@@H](C(=O)Nc2ccc(N=[N+]=[N-])cc2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 725238516 KXQRKXGNNDSIBT-UUWRZZSWSA-N 646.236 7.248 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 725445108 MCNGBCDEQQVTDZ-UHFFFAOYSA-N 514.793 5.132 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](n2ccc3c(N(C(=O)c4ccccc4)[C@H]4CCc5ccccc54)ncnc32)C[C@H]1OC(=O)c1ccccc1 888087724 KZGMPWQXAXKCOW-IMJQVECRSA-N 686.929 8.964 50 10 KKGE Cc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(I)cc1 1084090466 JLUPLJLTATYBQW-UHFFFAOYSA-N 507.375 5.545 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1084103066 RHKLIUZXJYXROD-UHFFFAOYSA-N 514.409 5.677 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1F 1084340396 SNNZIJFZXCAAMO-HSZRJFAPSA-N 576.406 5.372 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084424286 CIPSMUAJWQACFE-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2ccccc2C)cc1 1084450961 OXSPFGKQPIXIBP-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 1084493053 MNJFPOCGUTZZHX-VXLYETTFSA-N 514.217 5.939 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1C#N 1084529180 HQENSTJXJQOMJN-UHFFFAOYSA-N 634.534 6.824 50 10 KKGE C[C@@H](CCC(=O)N/N=C/c1ccc(N(C)C)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1085889453 OUDVPVUVMCWGFP-KULDJJGZSA-N 537.789 5.610 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)ccc(C)c2C)ccc1OCc1c(Cl)cccc1Cl 1772753605 TURPNOBMOMGNND-UHFFFAOYSA-N 501.410 6.035 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1C 1772755127 OPGGPCLDGCSVQP-UHFFFAOYSA-N 503.649 5.949 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865691765 AIJAFCBXFJPDMH-QFIPXVFZSA-N 557.876 6.256 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865691783 AXOKPJFTFGCINK-OAQYLSRUSA-N 523.431 5.645 50 10 KKGE Cc1cc(C)n(-c2ccccc2)c(=O)c1C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867216270 IETBXAUPJRXKPN-AREMUKBSSA-N 508.603 5.137 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccc(Br)cc4)C3)n2)c1 1868505971 OQEBCUCEVRRMDR-VWLOTQADSA-N 574.504 6.809 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCc4cccc(Cl)c4)CC3)n2)cc1 1868528681 YPAFTHNWPNQGPH-UHFFFAOYSA-N 571.150 6.877 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c1 1872754789 JGLRENSYHJLHSD-QQKBAMFOSA-N 517.651 6.324 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)n1 1872792707 MQMHQALIGPYMRF-RGVLZGJSSA-N 507.442 8.077 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1 1873941039 SYYDTDKMZDUTOB-GYXJVLCKSA-N 511.828 7.639 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(Br)cc(Br)c2)[C@H](Br)C1 1900366989 KTTFLVPSIFBCEV-KGLIPLIRSA-N 514.052 5.111 50 10 KKGE CN(Cc1ccc(Br)cc1Br)C[C@H](Br)COCc1ccccc1 1916334371 FWYKLBCZERGAEA-KRWDZBQOSA-N 506.076 5.624 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(S(C)(=O)=O)c2)c1Br 1922885198 OPRSSBBHVWVEGE-LLVKDONJSA-N 503.075 5.469 50 10 KKGE CC(C)Oc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923071402 ITMPEIZURDFWFK-NSHDSACASA-N 503.481 7.198 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 1924605339 POSHGWGAIALWBJ-JXOAFFINSA-N 507.911 6.908 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2sc(Cl)cc2Br)c1 1948823256 MBOZXFCDNLSMKO-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Cc1c(C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 2042447692 KIJQPFMYQGIMAQ-UHFFFAOYSA-N 523.383 5.719 50 10 KKGE CS(=O)(=O)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCC1 2047873791 PLMZUZWDMIDJDV-ZETCQYMHSA-N 501.487 5.283 50 10 KKGE Cc1c(Cl)cccc1NC(SCC(=O)Nc1ccccc1OC(F)F)=C(C#N)c1nc2ccccc2s1 2053622993 YZXURJTYAZAJQA-UHFFFAOYSA-N 557.047 7.536 50 10 KKGE COc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1F 2168412147 IOJFZPAZSMNUCW-SSDOTTSWSA-N 507.444 6.706 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CC[C@H](C1)O2 2206396588 YPLXCIJALQHVIO-YDMJGRFRSA-N 552.326 6.974 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(Br)cc2I)cc1Br 2207259569 BGZHHMBWXZLQHC-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(I)cc1 2218598370 SSNBDEUGXXXOSJ-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2233974656 GKGLKLHXRDEWCZ-CQSZACIVSA-N 531.839 6.606 50 10 KKGE C[C@@](CI)(OC1CCN(Cc2ccccc2)CC1)c1ccccc1Br 2259461774 BMPSFADEOOSZQB-NRFANRHFSA-N 514.245 5.781 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2294522398 XJJGRIHXJYNNDD-UHFFFAOYSA-N 546.023 5.272 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1scc(Br)c1C 2295362813 OKOQIZGMJGDBMY-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 2295384348 MWRMLMDOUUAZJO-UHFFFAOYSA-N 533.415 6.468 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=C(C#N)C(=O)Nc3ccc(F)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2297534053 LWFQAVNJFNLXRD-UHFFFAOYSA-N 564.038 6.317 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(I)cc1 2313567865 MPHYZHSWFMZIAZ-UHFFFAOYSA-N 564.423 6.461 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 2313675848 WYVMHNVBYQBBON-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314616564 DRKAROVFFKRYBU-UHFFFAOYSA-N 591.111 7.473 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634673 WWCONHTYUAXDRJ-PMERELPUSA-N 524.617 6.228 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)cc1 2314646587 DLLWQLJLJMJCFF-PMERELPUSA-N 676.795 5.808 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1 2314789631 QKHFGPIRUQZBDS-UHFFFAOYSA-N 519.823 5.527 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1sc(Cl)cc1I 2316599671 UVPWRDNUGLHVMC-JTQLQIEISA-N 528.381 6.531 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232114 VLHSATSHYRRKDH-UHFFFAOYSA-N 507.442 8.436 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5c[nH]c6ccccc56)cs4)cc3C2=O)c1C 2331347116 WVWGTIJGMLWDDI-UHFFFAOYSA-N 516.582 6.659 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)COc3ccc(Cl)cc3Cl)n2)cc1Cl 2331397629 SFBCINROGWCDKY-UHFFFAOYSA-N 502.206 7.304 50 10 KKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2331472802 WBHMSTZYGCWMTC-UHFFFAOYSA-N 525.512 8.221 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)ccc1OCc1ccccc1 2331481089 XCBIMLWSXNEHNZ-UHFFFAOYSA-N 503.023 7.514 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCc1ccc(C)cc1 2331484311 CGZFCWYYISFVOA-UHFFFAOYSA-N 510.659 7.786 50 10 KKGE BrCc1cc(Br)ccc1OCc1cc(Br)cc(Br)c1 2337069951 WTYQSZALHQFEJD-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)c1Br 2362224846 NIUCPJNJDYXDNU-GFCCVEGCSA-N 617.703 7.699 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2365595564 LIWGUUSPQPEERG-LLVKDONJSA-N 723.060 8.479 50 10 KKGE CN(CC[C@H](Br)c1cccs1)C(=O)c1csc(Br)c1Br 2366240622 YAVSBKIGVCRZCA-VIFPVBQESA-N 502.091 5.933 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2377293636 ZGKUZQIHCXQFML-MCIONIFRSA-N 514.083 6.822 50 10 KKGE CC1(C)[C@H]2CC[C@@H](C2)[C@]1(CBr)Cc1ccc(I)c(Br)c1 2377352607 LRFKMGWTMXHZSA-GDZNZVCISA-N 512.067 6.434 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 14650789 UFKIGELQLYGVDP-UHFFFAOYSA-N 504.425 5.078 50 10 KKGE CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 33416347 ONQDQCVABYAXLX-HFVAWESISA-N 516.066 6.748 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38660240 XMGIKJPBOPVWIN-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 38679379 BAJWCHMEJDUVIC-ADXZGYQBSA-N 528.605 5.637 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38681947 QHYUMVFWCDVDIW-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38684827 NRTRFVNTINJTHM-IIMAJNMQSA-N 526.633 6.409 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813015 YYADLJSBRDRNOY-OVVQPSECSA-N 501.326 5.526 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc5ccccc5n3)CCC4)c2n1 40825918 BNVCTCVCJXMKMK-STKMKYKTSA-N 504.546 5.682 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 40924634 SQNWUUMLVURXQN-XODNFHPESA-N 512.031 6.424 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232658 UJNXZEGQFBEDEO-KEBDBYFISA-N 574.302 7.896 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100452538 UASKNSNBWRVMEG-PVYGGJOHSA-N 552.425 5.629 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869742 IUDTYDVJQYOFNX-ZEHKQSLBSA-N 571.026 5.210 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101067237 BGDLOQFFTGPNCT-JBASAIQMSA-N 559.420 5.049 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246649 RLMWLVVADHOSPD-FZBRZNRVSA-N 554.455 6.076 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101293534 AZMUULDEXANYJT-HKBQPEDESA-N 565.025 6.921 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1Br 101336375 ZVOKWAJFODOXJY-ZMOGYAJESA-N 580.442 5.498 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 101368802 VNSOHQDGTYFYLQ-QFIPXVFZSA-N 556.210 5.658 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378601 HQNHEZPYLPVHIZ-HKBQPEDESA-N 532.596 6.410 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380415 AOUYVALIRPGTKX-YTTGMZPUSA-N 542.566 6.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1F 101386680 IZPANKATKOMHSR-HHHXNRCGSA-N 528.561 5.912 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c1 101396182 PYCQZBNKUJDEBQ-SANMLTNESA-N 559.416 6.730 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101397337 YAYYNFXUNNMDSE-NDEPHWFRSA-N 587.470 7.510 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494260 NWTPITKXCAATQP-UHFFFAOYSA-N 532.560 6.196 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610919 BJXIFFBNUHSVAG-GZZLJNBRSA-N 528.008 6.685 50 10 KKGE O=C(N/C(=C(/Cl)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102618686 GLFAJASMBHFRQX-NWBJSICCSA-O 565.098 7.709 50 10 KKGE CCS/C(Cl)=C(\NC(=O)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618695 CSQGGZVTSJPWLD-ORIPQNMZSA-O 537.472 7.182 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 102665882 ROEDQMWMNRAZCM-UDXHRHDRSA-N 528.848 6.712 50 10 KKGE N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(-c2ccc(NC(=O)/C(C#N)=C\c3ccc(F)c(F)c3)cc2)cc1 102941963 PCHIJMIJTVZSMF-GACBQCINSA-N 566.514 7.001 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1C#N 103860999 VPEWPXXRVYWIHN-JJFYIABZSA-N 563.395 5.913 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(I)cc1 103880827 AYHVRTNJCNJKAO-JFLMPSFJSA-N 540.357 5.779 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C 118920951 QAKZCDKFOJOVRK-JTXAPHOZSA-N 568.624 8.763 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442236 IEZXEMYUIBFFDB-LJAQVGFWSA-N 712.438 9.930 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 163795543 KHEDPEGPQSWMKA-RQRWGXNHSA-N 806.269 9.312 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1 164739886 JXJKGYLPHQUULX-QFIPXVFZSA-N 650.590 6.119 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)cc1 206745274 FMPLOFLKXKSIKE-MWWICOMZSA-N 562.622 6.408 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 232483044 XLDJVNKRWHILLP-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(COc2ccc3c(c2)CCC3)o1 252622141 NPSKSDDMXBXYPZ-UHFFFAOYSA-N 505.914 5.933 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 253530191 MYCARRQNTBVVPF-MIKHJJJFSA-N 521.295 9.920 50 10 KKGE biogenic Cc1ccc(CSc2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)s2)cc1 254393337 GNYWZFHQFFXXJE-UYCIAPPSSA-N 519.515 5.769 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)c1 254556612 JQXYZQSFIIXCQY-UHFFFAOYSA-N 544.607 6.476 50 10 KKGE N=C(c1ccc(OC(F)F)cc1)c1ccccc1SSc1ccccc1N=Cc1ccc(OC(F)F)cc1 254757455 RDUHFOLLUPLDPM-UHFFFAOYSA-N 556.606 8.856 50 10 KKGE ClCc1cc(Cl)ccc1Oc1c(I)cc(Cl)cc1I 382190369 NNCFSTUAVKNDMQ-UHFFFAOYSA-N 539.365 6.734 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616586678 HKOFRLLVGWKTHV-ZPAWYTMASA-N 560.801 5.253 50 10 KKGE CC(C)Oc1ccc(NC(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237757 MYGBKAOZBPQHTR-QFIPXVFZSA-N 510.965 6.506 50 10 KKGE CC[C@@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 725432660 KASDHRXLYQOAKZ-KYWIEWCDSA-N 810.466 5.719 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725440260 ATWGHFIPVPYNJN-UHFFFAOYSA-N 522.501 7.598 50 10 KKGE O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 1083923397 WMZBVGMPYHVREN-UHFFFAOYSA-N 597.307 6.906 50 10 KKGE COc1ccc(C=NNC(=O)CCCNc2ccc(Br)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 1083997412 ICIQHKIORNAINI-UHFFFAOYSA-N 582.518 5.261 50 10 KKGE CCCCCOc1ccccc1C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084056434 FPEOYKJNRKXKMD-UHFFFAOYSA-N 567.427 6.075 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OC 1084191756 HMSXFMQYSJXGDY-UHFFFAOYSA-N 532.438 6.386 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 1084207827 YAGSNXDQRXGHFT-CAOOACKPSA-N 590.257 7.008 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084254035 BFZQDRXQXUBJJG-UHFFFAOYSA-N 554.293 6.586 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084329742 ZEZLAHZXMBLJRP-UHFFFAOYSA-N 511.192 5.968 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3O)cc2)c2ccc(C)cc2)cc1Br 1084370499 DAYYLXJRXKQSKO-UHFFFAOYSA-N 608.514 5.631 50 10 KKGE C[C@H](Oc1ccccc1Br)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 1084442074 YBGHVDHYXSNSOF-INIZCTEOSA-N 532.232 5.708 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3F)c(I)c2)cc1 1084445546 YNKFWTADBCRZCJ-DEOSSOPVSA-N 576.406 5.372 50 10 KKGE N#C/C(C(=O)Nc1cccc(C(F)(F)F)c1)=C(/Nc1ccccc1Cl)SCc1ccc(C#N)cc1 1088726986 COZOGFFMAGMPCG-HIXSDJFHSA-N 512.944 6.950 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745378 XPQPKOHTYAGUOT-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749369 KFXWXGLONIQMLX-UHFFFAOYSA-N 538.387 5.898 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 1848433167 CTZMHDJIUFEYKE-JXXXELDYSA-N 514.911 9.763 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682490 PZSPJHOBZINFBR-HHHXNRCGSA-N 502.549 6.117 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OCC 1865687118 JSTWJABLDLZIMJ-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688516 UGPMELKMKFLASE-IBGZPJMESA-N 536.213 5.573 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688701 YQEPNRHQPHDUTR-MHZLTWQESA-N 535.003 6.581 50 10 KKGE CCCc1nn(CCC)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865690033 ZLWQYRJYYFQFHE-XMMPIXPASA-N 527.452 6.358 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693958 SKEOVFPRPAFASP-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865695381 NXFHNVMIBFTVAX-SANMLTNESA-N 504.606 5.819 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)c1 1865695807 HNPQDMQAHFWODB-XMMPIXPASA-N 527.422 5.902 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc(Br)ccc1O 1865697067 WBKHSJFQNJUZFJ-OAHLLOKOSA-N 511.685 5.231 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1 1865700152 LXQXRSRAFOBLEB-JOCHJYFZSA-N 504.377 5.527 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701069 KYUXJDCDECKHPF-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865702219 PPBAHFVMFWZPFL-SANMLTNESA-N 528.031 6.455 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865704014 KSGVSRXMQSQUGR-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704081 MOOYTNITNQSKPN-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704135 OFCDRYNVCBWJER-LJAQVGFWSA-N 567.476 7.692 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704519 XTWVPOFBMOTKJN-XMMPIXPASA-N 518.539 6.508 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983990 WFPNSDVJICMBKO-SQHAQQRYSA-N 533.650 5.088 50 10 KKGE COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C)n1)CC2 1868479818 BMVRSTDZNCMABD-GDLZYMKVSA-N 527.625 6.410 50 10 KKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(C)c1Cl 1872745998 MUXDSOSECNSVJA-VZCXRCSSSA-N 503.849 7.495 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)c(OC)cc1Cl 1872793827 VGZJAZRPVCLAEI-XDHOZWIPSA-N 502.979 6.764 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1ccccc1 1873496465 TWXGJWUTTWCTIM-BIZUNTBRSA-N 522.008 6.927 50 10 KKGE O=C(c1cc(I)ccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915315376 WCWVVBPHFVKIBV-GOSISDBHSA-N 563.071 5.870 50 10 KKGE Clc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923038199 HTQCOJXXPHXEQF-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE CCCCC[C@H](C=C[C@@H]1O[C@H]([C@H](CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C 1933246586 GHSCHPFIJMZDGG-MOUVJORGSA-N 659.218 9.435 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)cc(NC(=O)C(C#N)=Cc3ccc(OC)cc3)c2Cl)cc1 2042446541 GGKBIPKEQWSXPO-UHFFFAOYSA-N 580.950 6.467 50 10 KKGE COc1ccc([C@@H](N[S@@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1 2080760560 QQLMJYVKSJQTCR-IVVILSPUSA-N 633.794 8.026 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(I)sn2)cc1Br 2082376144 FEKJLOPGLABCOZ-NSHDSACASA-N 523.415 5.657 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)ccc2Br)c1 2089377664 GOXBXTHNHPZMIA-ZDUSSCGKSA-N 515.840 6.906 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2094090779 KZFMXNRVQPKNFR-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)cc1Br 2113357959 LUAHIKVDVVKIHN-CQSZACIVSA-N 562.840 6.748 50 10 KKGE C[C@@H](CCCCCBr)NC(=O)c1cc(I)ccc1Br 2117896090 XSBWRKFBYITJQP-JTQLQIEISA-N 503.016 5.127 50 10 KKGE Cn1ncc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1I 2141467846 CTZQNGUWJRBCHP-JTQLQIEISA-N 648.156 6.403 50 10 KKGE CC(C)(C1CCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468461 KBCRGACUQYGAIT-CYBMUJFWSA-N 538.343 7.843 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2Br)c1 2172409659 XDUSSXNFRDSWSR-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cn1nc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)n1 2214372699 JVGPXNBCJHYNHQ-BYPYZUCNSA-N 529.277 5.255 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)s1 2233008699 JYUWFRLEKHLKMJ-CYBMUJFWSA-N 503.481 6.900 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2234058464 GFZVWYJZXICOGC-ZBFHGGJFSA-N 511.689 6.383 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)c(C)c1F 2279141840 MMTREPDQPFJKSF-CQSZACIVSA-N 532.416 6.900 50 10 KKGE N#CC(=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1nnc(NC(=O)c2ccccc2)s1 2296555994 LDYVWEDGXPRPTJ-UHFFFAOYSA-N 541.847 7.394 50 10 KKGE CCCCCOc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)cc2)cc1 2297110576 ZEYWJXLYZIEYKW-HKBQPEDESA-N 512.694 8.154 50 10 KKGE Cc1ccc2nc(C(C#N)=Cc3c(Br)cc(Br)c(O)c3Br)[nH]c2c1 2297322141 JYVXDCMTHPEICW-UHFFFAOYSA-N 511.999 5.929 50 10 KKGE CCOc1ccccc1NC(SCc1c(F)cccc1Cl)=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2297414614 YQKBOBNXWDHUBG-UHFFFAOYSA-N 570.086 6.334 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1c(Br)c(Br)nn1C 2301118807 HIEYFDOJAAQIPQ-LURJTMIESA-N 507.871 5.562 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592906 DIXBZWORLDSRDY-QFIPXVFZSA-N 510.457 5.301 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618219 JNPJAVQTOAORIK-UHFFFAOYSA-N 512.993 6.110 50 10 KKGE COc1ccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccccc1Cl 2328796610 JVCSMNCTSVLZRU-NRFANRHFSA-N 504.027 5.317 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1F 2331042594 QTJBBDYYMXOCDN-UHFFFAOYSA-N 501.514 5.534 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(=O)c1ccccc1 2331430482 ZCAMQZKEVRXMGT-UHFFFAOYSA-N 517.404 6.865 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364037155 NKFFFAORRWENIK-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE Brc1cccc([C@H](CI)OCc2cc(I)ccc2Br)c1 2367610316 GRQSDEZCNOPJPJ-HNNXBMFYSA-N 621.876 6.509 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 3092056 BSESHWLNCNPYCD-PGGKNCGUSA-N 502.579 6.198 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13980386 AXVYNEDXPHTGAJ-FQEVSTJZSA-N 501.627 5.590 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1COc1ccccc1Cl 27520748 OHCYBHVVHWQPRK-VMJBBSNPSA-N 507.801 6.152 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 38683881 YJCOGAVRKJEXBH-SANMLTNESA-N 515.522 5.220 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)c1 40530078 UILALFHYKRPVQC-PMERELPUSA-N 512.606 6.075 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C(C)(C)C)c2cc(Br)ccc21 40846237 ODXPOAPLNBCMJY-NFFVHWSESA-N 500.437 5.183 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCC(C)C)cc2)cc1Br 100173432 CYRYNVQONTWVAW-UHFFFAOYSA-N 564.546 5.782 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4cccs4)s3)o2)cc1 100919881 JWIKTWQVTHDNQO-HAVVHWLPSA-N 565.676 7.933 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243428 DKZXUIGSESDDDS-GAXAGAJRSA-N 598.090 7.786 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101295957 QPQHLRHPGUACNT-VWLOTQADSA-N 529.017 6.865 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2C)C1=O 101333519 SPEMXDYJFFBAAK-ZTKZIYFRSA-N 536.676 6.809 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 101333546 UPNKPXJCSHPJKW-CHZJBYNNSA-N 520.633 6.035 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101337084 ORPSLXOMABQTRY-IOUPCVQUSA-N 605.094 6.543 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101338187 YWUGPVXKKHQHBL-AJBULDERSA-N 556.666 6.470 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368319 HBGRSLRSMHVVGZ-SSEXGKCCSA-N 544.604 5.331 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC)c(OCC)c2)cc1 101373667 FZWBBFBSMZVNRK-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 101373850 YNPVRYIIALRZRJ-LJAQVGFWSA-N 549.023 6.120 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101376208 QZJPYWVSFACKLV-JOCHJYFZSA-N 574.502 6.010 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380253 QSTDPNMGZXJOOK-HOZWFMMPSA-N 552.989 6.895 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101388786 HGCARRPXHUNCBL-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1Cl 101390044 QOAIIGIFHLLOMH-AREMUKBSSA-N 537.443 7.343 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1Cl 101391463 DIJVAQAPYKGUBN-OAQYLSRUSA-N 546.204 6.202 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccccc1F 101391566 DQOIZTRAHPPJRC-HXUWFJFHSA-N 545.806 7.438 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101394269 OWBJOIUDXYBDGJ-NDEPHWFRSA-N 538.600 6.593 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101395717 BJMWGORKQBAXID-PMERELPUSA-N 570.617 7.285 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399407 IJYUQJWOWDCCLL-JSOSNVBQSA-N 580.568 5.377 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 101719564 WDCLZXFIOMTHDS-HFTWOUSFSA-N 538.607 7.828 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCc1ccccc1 101727484 RCGXKQVFCABBDT-FJEPWZHXSA-N 616.990 7.099 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@@H](C)C2 102665444 BYMQSYQYLZIXNE-QAALXFNPSA-N 529.445 7.162 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 103741358 VDQRILDYMGBLQD-QPSWJSTDSA-N 541.982 6.101 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)ccc1Br 137902791 NRRYRDJBXZQRIG-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150411385 UPTDRGDTWOHIPA-MIQHZRFJSA-N 646.769 5.881 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 150429441 SZHKSQJAXLPKMJ-APTYXWLQSA-N 681.365 6.394 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCC(C)C 150463807 GPXHLRMSNVOQTL-JOCHJYFZSA-N 672.776 8.200 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccc(Br)cc2)cc1 150473967 JVRHCLJDUXPGCH-CJLVFECKSA-N 645.560 7.105 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481767 USKSMAGCNSHMFH-MUUNZHRXSA-N 633.940 8.878 50 10 KKGE CCC[C@@H](CBr)COc1c(I)cc(I)cc1I 166173457 UUHWTBFSZBIGKL-QMMMGPOBSA-N 634.859 5.690 50 10 KKGE COc1ccc(C(=O)Nc2ccc(C(C)=NNC(=O)Cc3c(Cl)cccc3Cl)cc2)cc1OC 252609509 HTPWXZZKNATFNC-UHFFFAOYSA-N 500.382 5.346 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 252636897 XNBJODCBYNCJEU-UHFFFAOYSA-N 566.249 6.277 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530912 DMXPKHGQUDHEGW-RPWPYZHHSA-N 676.210 5.021 50 10 KKGE biogenic Cc1ccsc1C=NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 254304234 FGFRLCDHVSJZDV-WMLDXEAASA-N 501.456 5.452 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=C/C(Cl)=C/c1ccccc1 254306667 GZTFTPGTJBKPBM-KQAYYKDMSA-N 535.094 5.800 50 10 KKGE COc1ccc(C=NNC(=O)c2cc3n(n2)[C@H](C(F)(F)C(F)(F)F)C[C@H](c2ccc(F)cc2)N3)cc1COc1ccc(F)cc1 254316648 FEPVRPKMJGLMDC-BVAGGSTKSA-N 635.540 6.808 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 254348604 LQLKAMWZQXQSNQ-GZQPLLJDSA-N 543.649 5.258 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)n1-c1ccccc1 254392904 JBGXMQBDTKGRQN-HSZRJFAPSA-N 597.144 7.264 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc1 254588896 HJWJXSIDMJBVBX-UHFFFAOYSA-N 569.734 7.781 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254752615 LKJNQAYOWFDNOR-UHFFFAOYSA-N 608.864 9.805 50 10 KKGE CC1=CC[C@H](/C(C)=C/c2csc(C)n2)C(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 255974468 GNAPAUDDSROWCR-OSWLONBDSA-N 732.233 11.168 50 10 KKGE CCC[C@@H](CBr)COc1c(I)cc(Cl)cc1I 383812876 VQJZSLGIAHSRMJ-QMMMGPOBSA-N 543.408 5.739 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cc(Br)cs1 385897587 FLDVMHHILDSTEJ-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE CO[C@@]1(NC(=O)c2ccccc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CO[C@H]21 504049246 NTPKKHLWOOMZQZ-PSCNNDFWSA-N 881.100 5.900 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)cc1OC 705463024 JBWRXLMYOXMCLS-LLVKDONJSA-N 549.904 6.537 50 10 KKGE Cn1cc(CC(CBr)(CBr)c2cccc(Br)c2)c(Br)n1 714090594 XXYIVMCNWVIKED-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Cc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)cc1F 721618057 YUGJJPABTGZMIM-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OCOC)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 725239673 VAFNSECFYVEGJC-IHJDNMSPSA-N 688.082 8.352 50 10 KKGE CC(C)[Si](Oc1ccc([C@@](C)(O)c2ccsc2)c(O[Si](C(C)C)(C(C)C)C(C)C)c1)(C(C)C)C(C)C 725239805 DENPZDGYCSLXQO-PMERELPUSA-N 548.982 10.113 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 886007199 ABBFHHRWRLFVKI-UHFFFAOYSA-N 500.646 6.873 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 1083872382 XDFURLGLAUICAZ-UHFFFAOYSA-N 588.922 8.756 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 1083903908 NNXQTGYSZLRIOL-UHFFFAOYSA-N 509.629 6.036 50 10 KKGE CC(=NNC(=O)CSCc1cc(C)cc(C)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084257187 XXWQJLXZDNFZMA-UALAUUDGSA-N 530.137 7.557 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 1084330893 RZQRUYFSOPLPNY-UHFFFAOYSA-N 534.454 5.370 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084388539 OCAUSAWAGCMRHE-UHFFFAOYSA-N 577.253 6.044 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1084450191 POGJPDMBWPNGNB-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084472188 TXTGOFUEGAVICB-UHFFFAOYSA-N 546.498 7.472 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2F)c(I)c1)c1cc2cc(Br)ccc2o1 1084476526 ZMOSHXVMZCKVTA-UHFFFAOYSA-N 672.086 7.044 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccc(Cl)cc1 1084484531 CDDFDFKRUOIWFS-UHFFFAOYSA-N 518.105 7.070 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc(C)c1 1084503325 IHZBFPTYMQJIRR-LFVJCYFKSA-N 593.465 5.443 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCc1ccccc1 1084610096 GZZXDXCEIDNUTJ-DJKKODMXSA-N 544.218 6.153 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084657440 XMWPAWVXCATEGZ-UHFFFAOYSA-N 597.568 6.870 50 10 KKGE c1ccc(Oc2cccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 1614949205 CQFBTCDMLIGDKS-UHFFFAOYSA-N 720.833 10.467 50 10 KKGE CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749193 IQSZTHJYAMZQPN-UHFFFAOYSA-N 514.409 5.945 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)ccc2C(C)C)cc(Br)c1OCc1ccccc1 1772754170 RJZWTWBCQHSFMO-UHFFFAOYSA-N 525.443 5.998 50 10 KKGE CC[C@@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1848353110 KASDHRXLYQOAKZ-ZYDLCOQSSA-N 810.466 5.719 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865686127 QWKZHOIZWCGICP-OAHLLOKOSA-N 520.125 6.723 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865688327 PHZUKNWTFSSEBA-VWLOTQADSA-N 541.479 6.596 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692189 KJPHSRILUDFSPR-MHZLTWQESA-N 552.631 5.468 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865694594 ZSSFLHHGMIMSKO-QGZVFWFLSA-N 525.314 5.823 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OC 1865695779 STSSRTMUXIEOAI-AREMUKBSSA-N 526.568 5.372 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865702226 PTZWFSPVZIHMRI-INIZCTEOSA-N 509.257 5.019 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703118 NGKFFINWFVGCDY-JGCGQSQUSA-N 562.714 7.005 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703542 ASMYPFABALQPJI-AREMUKBSSA-N 547.442 6.547 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704041 LGPLHPFMOVWETO-LJAQVGFWSA-N 533.031 7.038 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704733 CQJZUSDTLCKWQB-SANMLTNESA-N 510.569 5.751 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708860 HTWJQFKSCGHUFP-MUUNZHRXSA-N 543.668 5.079 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865709670 ZLHVZSXEIPLXHO-XMMPIXPASA-N 544.970 5.404 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865709683 DYJZABHJLIUUQL-RUZDIDTESA-N 571.977 5.158 50 10 KKGE N#CSc1ccc(NC(=O)CN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 1866027738 UQPWHRUUJFSBCW-UHFFFAOYSA-N 652.944 5.544 50 10 KKGE Cc1cc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccccc1 1866840266 QRCXGKFHDFWQMX-SANMLTNESA-N 527.675 5.424 50 10 KKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132765 WYIHFSOSTOZESD-WIOPSUGQSA-N 525.646 5.937 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CCS2)cc1 1868365309 NYHZCXCIYSIVIK-RUZDIDTESA-N 511.676 6.763 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2ccccc2OC)n1 1868387881 BEAUZSIPORIOCU-SSEXGKCCSA-N 507.663 6.907 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@H]1c1ccccc1 1868433869 SPCOSWZSMNCJAH-VWLOTQADSA-N 513.070 6.607 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)c(Cl)c1 1872727516 HBOJZUZRXFSPSV-XSFVSMFZSA-N 510.034 7.200 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Br)cc1 1872727849 CZCAAPBCKNHFFA-KGENOOAVSA-N 502.412 6.686 50 10 KKGE Cl[C@@H](c1cccc(OCc2ccccc2)c1)c1c(Br)sc(Br)c1Br 1924601729 NRYMZIBEZUVCIS-INIZCTEOSA-N 551.525 7.943 50 10 KKGE CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@]3(O)O[C@@]45OO[C@H]4C[C@@]4(C)[C@@H](CC[C@@]2(C)[C@@H]34)[C@@H]5C)/C1=C(/CCC=C(C)C)C(=O)O 1933246806 VPEQUHJEAVHCJW-VLIQQTGMSA-N 544.685 5.300 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC(Br)C2)c1Br 2025784108 SDEGCLGFZQFCHU-UDSLYJHRSA-N 619.609 7.346 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CO[C@@H]3COC[C@H]32)c1Br 2040326918 ULRMTMRDSXQOPQ-LENIQADQSA-N 525.882 5.133 50 10 KKGE CCOc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2040446060 CFHDCVRHVAVBEL-UHFFFAOYSA-N 525.531 5.504 50 10 KKGE CC(C)(C)[C@]1(CBr)CCN(c2ncc(I)cc2Br)C1 2133383565 FNUFWOMQIITKHC-AWEZNQCLSA-N 502.032 5.086 50 10 KKGE CCn1ncc(Br)c1COc1c(Br)cc(CBr)cc1Br 2150695542 PWUORFFGPKKMHD-UHFFFAOYSA-N 531.868 5.664 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cc(I)sn1)OCCCO2 2176538843 NZDRCOQQQBDMGP-CYBMUJFWSA-N 531.007 5.156 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)cc1Br 2202351749 KGCOLJXYGVIXCA-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(Cl)c1Cl 2203431404 CICXCKOYSINAAH-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE CC1(C)C[C@]1(Cl)[C@@H](Br)c1c(Br)sc(Br)c1Br 2211991261 VYHQMGVUXVNWRM-WKEGUHRASA-N 516.318 6.879 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(C)c1Br 2226078168 MQDIUIRLJLOFSH-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Brc1ccc([C@H](CI)OCCOCCOCCOCc2ccccc2)cc1 2236083669 ATGIBATXUBAFSS-NRFANRHFSA-N 549.243 5.192 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cocc1Br 2244197891 DVJPOTOARWABNG-LURJTMIESA-N 514.258 6.766 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1I 2256334899 CWFCTRLCGLBNHF-MRVPVSSYSA-N 650.193 7.778 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(Cl)c1Br 2283191801 OYRFLNHKIDQEES-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506949 MPUBUNPYPNHLHK-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 2296540813 XCYMZAQCMVXWQI-UHFFFAOYSA-N 572.712 5.361 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2C=C(C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OC 2297616700 ARZPMXRFWAZWHF-UHFFFAOYSA-N 542.979 5.543 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2301044596 SFLRHGODMVSMAY-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 2313518807 UPTUCVYVCJQBPL-UHFFFAOYSA-N 552.412 6.431 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4ccccc4C)c3C)sc3c2CCCC3)cc1 2313562313 MLFUIGGGWLXIQU-UHFFFAOYSA-N 548.712 7.449 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC(C)C 2313630568 OJZAAWSHMXLADC-UHFFFAOYSA-N 500.418 5.603 50 10 KKGE Clc1cccc(Br)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314441011 VGDJYGGBIZXOFR-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Brc1ccccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314503947 XVTSAGBPFNDVOS-HXUWFJFHSA-N 525.078 7.469 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314611036 OWRSUGOQDSJKMY-UHFFFAOYSA-N 563.057 6.774 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 2314616973 OFJGDOQHNOUNMI-UHFFFAOYSA-N 588.664 5.709 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314618916 WNXFOYRKNYJYFD-UHFFFAOYSA-N 524.621 5.264 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314620149 KOGBMEQHWFWFJA-UHFFFAOYSA-N 546.602 6.260 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5)ccc43)cc2)cc1 2314640725 RPIIEAVTYIJTPF-YTTGMZPUSA-N 514.581 6.411 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646657 IEVZKGQYNXLAKZ-JGCGQSQUSA-N 684.749 6.174 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 2316833537 CDJHMHIHDFHSJZ-GSVOUGTGSA-N 607.185 6.669 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1 2338723525 YATUDONFGQRUBU-VIFPVBQESA-N 517.841 5.201 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(I)c1 2339639599 NYMKRFJUEKAPGB-ZDUSSCGKSA-N 518.389 6.592 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)c(Cl)s1 2339654396 SKHRAAUCGLHXDH-SECBINFHSA-N 511.863 7.512 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361173746 VHDXBUNJYIPVPK-ORYQWCPZSA-N 514.279 5.679 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)cc3)cc2)sc2c1CC[C@@H](C)C2 6167549 WRTLDSCJJQHDLD-AEKUHDCLSA-N 577.703 5.618 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1Br 14640775 YZYKMDXPNJRITP-UHFFFAOYSA-N 518.452 5.468 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 29491706 QMGFDWYSXVQGCH-XAYXJRQQSA-N 663.804 5.694 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OCC 38684297 XBHFPMJOJICAIC-LJAQVGFWSA-N 512.606 6.400 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 38700538 HNZGVDPKFTWVGW-SANMLTNESA-N 520.969 5.583 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1 59304089 MMXVJLKSGSKQKQ-LGJNPRDNSA-N 514.294 5.519 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 100231972 ATAYRFVQWQELOR-KPHTWCJLSA-N 561.476 6.544 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 100235288 HCKHKMFQFYWRFP-MIIVUHEXSA-N 570.871 5.916 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 100236308 GVKQGFCUQALYHA-ZZJXEYPFSA-N 563.851 6.183 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 100238634 PQTFWHRJOKWFMQ-DLOXVRGRSA-N 551.083 6.409 50 10 KKGE O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 101099475 IBLBCPNOVYZYBZ-UHFFFAOYSA-N 525.339 6.001 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 101115779 RLPMKFDSRWXQAZ-UYRXBGFRSA-N 529.394 5.720 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246533 UXAPBMNPDIUEPE-LVVXZCGBSA-N 515.610 6.023 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101338869 FACGFUKCLOTEPP-PCLIKHOPSA-N 520.589 5.235 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101338978 QFNKJPFITRIWST-UZWMFBFFSA-N 603.122 7.697 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 101340679 FYESSALSRGZJQN-PCLIKHOPSA-N 504.977 5.985 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101360686 MJQGGCSDKZNOPS-HXUWFJFHSA-N 544.476 5.882 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101372194 SLKLUAKHGFUSTF-SSEXGKCCSA-N 563.050 6.510 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 101375397 GYPXJUYUJCIGBO-LJAQVGFWSA-N 557.603 6.390 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5C)ccc43)cc2)cc1 101378848 FAWSRNFPWVVNIY-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101379280 FLGDPOFKHYWIFX-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382897 QAIAAGRBSOFPMB-HZAQMHFWSA-N 571.004 6.649 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1F 101389206 ZMEOOVOWASHKGX-SSEXGKCCSA-N 616.001 6.802 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101392537 WGBZLTBYNVKAEN-HSZRJFAPSA-N 527.360 5.457 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614917 MKXVOKRJBCBLIC-KHYAOJIRSA-N 583.464 7.245 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 101674306 RTCATNLNSZWQBG-CJLVFECKSA-N 567.107 7.759 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccc(Cl)cc1Cl 102008040 QBRPYLFVOVULNF-WKULSOCRSA-N 535.412 6.201 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O 102515540 DXQFROBACOBWIC-KTUHQGSWSA-N 500.558 7.157 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 103795971 LUDAFSSEYONHPI-VFLNYLIXSA-N 609.247 7.086 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]1C1(C(=O)c3ccccc3C1=O)N(c1ccc(Cl)cc1Cl)[C@H]2c1ccc(Cl)cc1 104369688 RNHGEENJOGFIAY-NJYVYQBISA-N 526.759 5.342 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566508 YWDPTKOMUMVUHV-JVCXMKTPSA-N 569.624 6.706 50 10 KKGE O=C(c1cc(Cl)sc1Cl)N(/N=C/c1cccs1)c1nc2ccc(Br)cc2s1 138989623 NFLHNONXHFOGJB-ODCIPOBUSA-N 517.282 7.170 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442229 IEZXEMYUIBFFDB-GDLZYMKVSA-N 712.438 9.930 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 150455337 FXYCWSNWFSYIIE-WGSIIBACSA-N 640.721 5.618 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Br)cc1 150478836 NATGBSSOBBIBJI-VFLNYLIXSA-N 647.414 7.165 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 150481287 MWKYLBGGRCMJAD-DEOSSOPVSA-N 711.212 9.389 50 10 KKGE CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(c3ccccc3OC(F)(F)[C@H](F)Cl)C(=O)[C@@H]2/N=N/c2ccc(OCCOc3ccccc3)cc2)cc1 161135150 QCTQTJNTOCQOJL-LQEBJOFPSA-N 912.516 12.830 50 10 KKGE Fc1c(F)c(F)c(P(Cl)(Cl)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F 169660819 XJPPVPFQBRXUCW-UHFFFAOYSA-N 603.048 6.910 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214375811 OSAALVNOQYGKCC-QRQIAZFYSA-N 514.585 5.649 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 214377230 YKUHWZYUKMLETP-QRQIAZFYSA-N 560.629 6.568 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(C)c3)C2=O)cc1 214400259 KYEHGNNEZOKKGJ-CEUNXORHSA-N 558.638 5.700 50 10 KKGE Cc1sc(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 235824002 JNVFTEYRWJOQFC-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Br)c(Cl)s2)c1 236069375 ZYJNCNZZKJATFA-JTQLQIEISA-N 526.846 6.906 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 252601475 FBDSFMKNHPKIJD-UHFFFAOYSA-N 518.466 5.458 50 10 KKGE CC(C)Oc1ccc(Br)cc1C=NNC(=O)NN=Cc1cc(Br)ccc1OC(C)C 252640765 YXCCOAFLNXGUQA-UHFFFAOYSA-N 540.256 5.453 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 253530262 VOXJHJRLIGNTTG-UFDQWYSXSA-N 644.722 9.986 50 10 KKGE biogenic CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254446205 YBHXXTAHQIVHPT-UHFFFAOYSA-N 506.602 6.399 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2)cc1 254498581 DSXXBYKQPRUQOD-UHFFFAOYSA-N 592.652 5.734 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2OCC)cc1 254517763 TUBGVVBWRCXJOW-UHFFFAOYSA-N 526.589 5.776 50 10 KKGE CC(=NNC(=O)c1cccc(Cl)c1Cl)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254624469 IOWMQSNMXBHPNA-UHFFFAOYSA-N 518.216 5.919 50 10 KKGE O=C(CCCCCCCC(=O)NN=C(/C=C\c1ccccc1)c1ccccc1)NN=C(/C=C\c1ccccc1)c1ccccc1 254703435 DFFZVOLNHOLTLS-KDWMXJEQSA-N 596.775 8.185 50 10 KKGE CC(=NNC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 254855267 WXSZXRHPZRZHNO-UHFFFAOYSA-N 500.462 5.077 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1cc(I)cc2c1OCC2 312675394 ODFSKBFTTHBKGF-CQSZACIVSA-N 528.409 6.079 50 10 KKGE CC(=O)O[C@H](COCc1ccccc1)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 504225741 DXIFZLBGTIORQL-SANMLTNESA-N 544.881 8.146 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 575229550 XOHRAGVYVNTJQV-WPFAILKGSA-N 600.788 5.606 50 10 KKGE in-vitro COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575346783 NOATULMQVVEPQO-MIJWVJFTSA-N 904.120 8.120 50 10 KKGE CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)c1c(O)c(-c2ccccc2)cc(O)c1-c1ccccc1 585662249 BQGNDBKIMDIJIG-NCSZUSRHSA-N 540.640 8.138 50 10 KKGE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)NCCSSCCNC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 1082549767 DVMYWEKCSIQCMX-YEPWCPKOSA-N 873.138 5.296 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1083871228 GRDIYFYKBCSSJD-OVCLIPMQSA-N 646.081 7.624 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2OC)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083973921 MTIVWTXLDWGVMG-UHFFFAOYSA-N 503.433 5.577 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1C 1084034531 SBIZAPYDKWCNNE-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084046285 HKZRZURSTHJGCR-UHFFFAOYSA-N 545.639 5.437 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084130657 VZRQXSOUGJVUCK-OAHLLOKOSA-N 517.365 5.197 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084199409 VQRSVTDKXGYUCC-UHFFFAOYSA-N 585.354 5.687 50 10 KKGE CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084379261 GJULSKQIQAULFX-MDWZMJQESA-N 545.160 5.086 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1 1084511031 CNZMCBBWCYUPQC-SXGWCWSVSA-N 613.666 7.385 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1084627522 BXVXFGNOVHDUSW-UHFFFAOYSA-N 543.476 5.470 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 1084635486 WSONAUDITFZIPZ-DEOSSOPVSA-N 671.757 6.649 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](F)[C@@H](n2ccc(=N)nc2O)O[C@]1(CCl)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1615773726 KECWVZJKGKVMCV-CKXMCULTSA-N 646.352 5.880 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 1772754990 FGFASCBIKFOVFL-UHFFFAOYSA-N 638.653 8.090 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865682990 CMTNPHDTAQRPMW-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccccc1 1865687595 VQBBRKUXNBWOHF-QFIPXVFZSA-N 519.483 5.092 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693909 RRSKUMXSDDECGF-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1cc(Br)cc(Br)c1O 1865700854 GCRDOJNEDIJSHQ-HNNXBMFYSA-N 570.163 5.399 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701138 MWAWGQCIPPEMIF-AREMUKBSSA-N 517.416 6.344 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702782 FFZJPTRRODPHIK-GDLZYMKVSA-N 555.078 6.983 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703029 LFYHTBKWMUKSQJ-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865706860 HIYPIXDNUXLKDA-IBGZPJMESA-N 515.795 5.173 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865707573 ZWVNSKTUBORRHW-VWLOTQADSA-N 529.566 6.195 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c(OC)c1 1865707811 GWXICMSMFYDMLS-XMMPIXPASA-N 533.415 6.141 50 10 KKGE CCCc1nn(C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711904 LCJALCJMXFJBCX-MUUNZHRXSA-N 506.606 5.749 50 10 KKGE CC1(C)COC[C@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868208191 VGWIBXPUXUBHIJ-SANMLTNESA-N 521.690 6.611 50 10 KKGE Clc1cc([C@H](Br)c2sc(Br)cc2Br)ccc1Br 1922938255 CWQDQXBYUCUOKT-JTQLQIEISA-N 524.297 7.173 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1cc(I)ccc1Br 1924041273 UJRVMTXUTMCODH-CLAHSXSESA-N 559.865 6.451 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC[C@@H]2CCCO2)c1Br 1924582975 DNXQNTLMKPGNSL-BQBZGAKWSA-N 511.899 6.431 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1csc(Br)c1Br 1945190401 MNBRQLXCVMJOGP-JTQLQIEISA-N 524.297 7.126 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(I)c(C)c2)s1 2086021597 ZRCODIKEWJHFSI-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE CCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2141469951 XXYPVSZMEOOSFT-HKSSTPRTSA-N 583.782 6.561 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2202346954 IYVIZDVKWJXORJ-CQSZACIVSA-N 550.843 6.806 50 10 KKGE FC(F)(C1CCCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399909 MZACNDIUWRWBMY-LBPRGKRZSA-N 604.747 7.998 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2206406429 ZVTQYTSLXDWHDF-CSZWHVIDSA-N 554.342 7.076 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)c(Cl)c1Cl 2224320450 IPVYIFDYFPIRNQ-ZETCQYMHSA-N 593.187 8.480 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc1I 2225619619 LGFOYXNXKMUGHL-CQSZACIVSA-N 562.840 6.748 50 10 KKGE Cc1csc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2225886564 NKRWTSTYBNGOBA-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Clc1c(Br)csc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2246465552 BYSQILOYAAOQNY-LURJTMIESA-N 564.771 7.841 50 10 KKGE Clc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)sc1Br 2263450983 SMRBMGFXKHCIDS-VIFPVBQESA-N 538.324 7.368 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263483702 MTDYDZBBOUCXKP-IBGZPJMESA-N 532.114 6.202 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(F)c(Br)cc2Cl)c1Br 2267750015 QEEPBFSWUBPWDD-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE COc1c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)csc1Cl 2284308187 DUHMLSUCYRCKDZ-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1Cl 2288349138 MPGTZCOOZJKRKF-LLVKDONJSA-N 509.797 7.281 50 10 KKGE CCc1nc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2288484221 OAXGOGPNQONBLK-VIFPVBQESA-N 510.423 6.599 50 10 KKGE N#CC(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2293189746 AQHPFOSYXXOTRC-UHFFFAOYSA-N 514.821 7.500 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(F)cc2)cc1 2293198323 UNHYASKLQJXFGV-QHCPKHFHSA-N 502.527 5.107 50 10 KKGE C(=Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(N2CCCCCC2)o1)c1ccccc1 2293308482 GEQDPQAYQGOZRY-UHFFFAOYSA-N 529.644 6.845 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1COc1ccc2ccccc2c1 2295669957 QWLYKXWWDZCDOH-UHFFFAOYSA-N 513.937 6.535 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1F 2313556179 PTPLJPPNSBKQAS-UHFFFAOYSA-N 509.581 5.889 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1F 2313568430 SEGXVJJKCHOKJM-UHFFFAOYSA-N 509.375 6.420 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc2c(c1)OCO2 2313570774 FZFKNHUFFFZWJG-UHFFFAOYSA-N 537.399 6.584 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc(F)c1 2313571016 LLTFNYAJCJGHOB-UHFFFAOYSA-N 525.407 7.384 50 10 KKGE COC(=O)COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571149 OLOCKYUKUXSJCV-UHFFFAOYSA-N 563.029 5.616 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2314454651 IACIYDLLCRQQHS-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314611446 UHMLLZOFLCXPHK-UHFFFAOYSA-N 591.111 7.554 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314616993 OODGPGVLWYKDNR-UHFFFAOYSA-N 542.639 6.347 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617404 XQZISRMEYBUYDR-UHFFFAOYSA-N 584.720 7.333 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617948 DNXYDCARUCPBKB-UHFFFAOYSA-N 512.993 6.110 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314619978 IJKIASKLEWYNDI-UHFFFAOYSA-N 593.083 6.435 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314620788 VEAKDQIARPXXNG-UHFFFAOYSA-N 595.074 7.303 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2c(Br)cccc2Br)CC1 2318173129 RNPJJJKHEAUKCH-UHFFFAOYSA-N 589.106 5.933 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(F)cc2F)cs1 2331292740 BGJCERQDAUHJHP-UHFFFAOYSA-N 511.775 7.156 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=Cc2c(OCc3ccccc3)ccc3ccccc23)n1 2331474070 AWCDBNQVQBKJQS-UHFFFAOYSA-N 523.057 8.577 50 10 KKGE CC[C@H](Br)[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349823914 HETOZWFEIRILPA-SWLSCSKDSA-N 501.044 5.582 50 10 KKGE COc1cc([C@@H](Br)c2scc(Br)c2Br)c(OC)cc1Cl 2363535120 QTSXDJSDHJZULD-LLVKDONJSA-N 505.453 6.428 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Cl)c(Cl)c(Cl)c1Cl 2364064839 WJPMIQBCEUHGSP-RXMQYKEDSA-N 546.699 7.043 50 10 KKGE Fc1ccc([C@H](CBr)OCc2cc(I)ccc2Br)cc1 2367600460 HBZDQOWBYVECJD-HNNXBMFYSA-N 513.970 5.846 50 10 KKGE BrC[C@]12CCC[C@@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377334752 MBJVGWYLPXLBGP-JKSUJKDBSA-N 513.055 5.583 50 10 KKGE CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CCC2 27550506 YMJLWOXRDRHFHX-NRFANRHFSA-N 503.615 6.746 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1OCc1cccc2ccccc12 33793151 LISPQSMHAYMIKJ-STZFKDTASA-N 513.937 6.535 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 38685427 SKUYEYVXBFYYIW-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 38686852 VEFXONHSYMKYEV-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 40950995 NYLYATISUSTDGA-JVWAILMASA-N 505.453 6.069 50 10 KKGE CCn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nc2ccccc21 58991733 QTQKYQQWGMRZHM-RDRPBHBLSA-N 507.059 6.311 50 10 KKGE Cc1ccc(OCC(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1Cl 59167028 OZXBVXBSMOCILO-PJJLUWSFSA-N 509.993 5.684 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100172588 MZYPLZNWMNKGEP-UHFFFAOYSA-N 546.289 6.335 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 100189253 MNOWQJCSCUVXRN-UHFFFAOYSA-N 556.482 5.156 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100209184 GOUUIJXIGDEUOP-UHFFFAOYSA-N 540.892 5.301 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 100234606 OBVRWBMYHAIXBA-PCYMAAINSA-N 580.306 6.698 50 10 KKGE COc1ccc2cc(Br)ccc2c1CC(=O)O/N=C1\C[C@H]2CC[C@@]1(C)[C@]2(C)CBr 100938737 ALGBBXVHLFHHOW-AIMQJHDESA-N 523.265 6.274 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101333884 PGGJVMXUBYRLHK-FMFFXOCNSA-N 578.672 7.272 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101334727 VGOZGTVSIJHDJX-OCSSWDANSA-N 577.084 7.020 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101335028 LKAVZRXNVTVEAM-GUBAARJWSA-N 626.716 8.064 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101336153 BPDRDFVQIHLBDU-RDRPBHBLSA-N 552.675 5.981 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365180 UCHWSFMNEMMTHC-QHCPKHFHSA-N 536.198 6.503 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc21 101368772 LVRJSFGHUUOORV-VWLOTQADSA-N 533.422 6.193 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369459 VGZFBKVZFKFORF-ROTAYESASA-N 532.596 6.632 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379929 YFKPVXAOEMCYOM-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381334 KSSPOGOXZMLBDP-MGBGTMOVSA-N 615.513 7.898 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383740 OPZHNHUOAWDVJI-HKBQPEDESA-N 552.558 5.616 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383757 CCTNQXPNGWGVEY-PMERELPUSA-N 556.977 6.261 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384954 IJXWMTBUIWMYIP-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 101393585 KUJUJNHCOLJHOY-RUZDIDTESA-N 545.389 6.258 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 101393591 UMKAPMCJHHXUES-AREMUKBSSA-N 559.416 6.567 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101395154 FLHTZFZCGQNOOR-JOCHJYFZSA-N 525.344 5.226 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101397206 DHVNPSUNSXRHJX-SSEXGKCCSA-N 615.524 8.290 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCCC)c(Cl)c3)ccc21 101397319 RKTIGNBYDWKENS-GDLZYMKVSA-N 595.523 8.179 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399833 XYXHSQNGJHUQDU-ACHIHNKUSA-N 594.595 5.767 50 10 KKGE Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)c1 103879603 ZEBJTVSLYJZALZ-SEBMTOOBSA-N 565.677 7.118 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)sc2c1CCCC2 104952149 XSFGUPOQSPWWSR-CPNJWEJPSA-N 555.483 7.235 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)cc1Br 128841158 VRUPCAOJQBJXMN-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 150478003 DQTWDGPZLLTXIB-HKBQPEDESA-N 649.958 8.842 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485796 LHJJUVSRQRUNHJ-XIFFEERXSA-N 631.512 7.400 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)ccc1OCc1ccccc1 198743322 QNYISDQFKFTKBN-UXHLAJHPSA-N 550.036 5.492 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214239664 OKEXTODUCQQSNH-OFWBYEQRSA-N 550.703 7.137 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 214405114 VRBYGTVSZSDFAH-PKAZHMFMSA-N 522.601 5.426 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 214407676 BDWLKAGSVBIKLP-QRQIAZFYSA-N 546.602 6.178 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214407741 ABDYMYHCEMBGFM-RHANQZHGSA-N 546.602 6.258 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccc(Cl)cc1 253561450 CDDFDFKRUOIWFS-RUMWWMSVSA-N 518.105 7.070 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 253578189 YAUGGNMNKCEREP-PHQVPZASSA-N 611.661 5.137 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)c2cc(-c3ccc(OCc4cccc5ccccc45)cc3)n[nH]2)cc1 254308032 KVJGUYRIZZZECF-UHFFFAOYSA-N 504.546 5.359 50 10 KKGE COc1cc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)ccc1OC(C)C 254313404 RVLBRPWVSIFKQE-UHFFFAOYSA-N 502.546 5.672 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254506397 ZTYKPQXLNSUKPU-UHFFFAOYSA-N 648.311 7.132 50 10 KKGE CC(=NNC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 254517651 IQOHFWQXAYRBPL-UHFFFAOYSA-N 565.617 6.251 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(CSc2cccc3cccnc23)cc1 254521263 HWWDLZIQPOSMMD-UHFFFAOYSA-N 545.693 7.205 50 10 KKGE CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)sc2c1CCCC2 256019971 PECAHKHILKELIT-TYCQWZJGSA-N 612.222 6.428 50 10 KKGE Brc1cccc(C[C@@H](Br)c2cc(I)cc3c2OCC3)c1 312421676 YSETUAPBOPSMFD-OAHLLOKOSA-N 507.991 5.667 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@H]1Oc1c(I)cc(Cl)cc1I 382256303 GGWWUCRZFUJARW-NWDGAFQWSA-N 569.446 6.270 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(O)nc1=N 504221911 XGPDFZUJNISNHI-ZRBLBEILSA-N 600.038 7.290 50 10 KKGE CC(C)(C)[Si](OCC(=O)[C@@]1(O)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)(c1ccccc1)c1ccccc1 575627417 VNIWOQAOHPUPMR-ZDWHRBHZSA-N 871.251 7.789 50 10 KKGE in-vitro c1ccc(CSc2cc(SCc3ccccc3)c(P(c3ccccc3)c3ccccc3)c(P(c3ccccc3)c3ccccc3)c2)cc1 642813860 ACHMLTHQTDJDTL-UHFFFAOYSA-N 690.854 9.788 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 695013165 GZYSAIXSMOPSLN-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721615744 SMJKMLPHDNTASJ-CQSZACIVSA-N 516.398 6.153 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1083922663 ZIEYZCBJWGDMCC-UHFFFAOYSA-N 520.800 5.713 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1 1083978731 ZBLRQSWRHVXYBZ-HZHRSRAPSA-N 689.335 6.039 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 1084101728 IBRYYZLHXIBOAU-UHFFFAOYSA-N 614.577 5.421 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccncc4)cc3[N+](=O)[O-])sc2c1 1084289796 NQGOGZITIAOCMF-UHFFFAOYSA-N 568.640 6.075 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1084465999 QEKDKDOXMPNLCG-DEOSSOPVSA-N 606.432 5.381 50 10 KKGE O=C(CSc1cccc2ccccc12)NN=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 1565518982 WLGYQFRICNOEJF-UHFFFAOYSA-N 539.882 7.077 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(C(F)(F)F)ccc2F)C1 1614691874 JJMBCUQIEXOLSW-WMLDXEAASA-N 507.265 5.632 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743691 IXRPSLWESZXKJK-UHFFFAOYSA-N 517.379 6.193 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C\[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 1848433172 ISXKXFGJQNACAU-YOLROYRASA-N 574.988 9.282 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccccc1C 1865702892 HTYYZNACGBSQIJ-GDLZYMKVSA-N 524.596 5.883 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865703440 VTGJJQUPNXFAEL-HHHXNRCGSA-N 531.443 6.652 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1OCc1cccc(C)c1 1865705523 YFPDDBSJAFBCKV-SANMLTNESA-N 557.448 6.057 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706080 NEEXPNAATOAIBP-DEOSSOPVSA-N 514.969 5.193 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791698 PDERTTIXCIVMSS-GZTJUZNOSA-N 513.471 8.220 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2sccc2I)c1Br 1922929125 GHGFSYFZNKTAGC-SSDOTTSWSA-N 512.457 6.576 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2004903568 ZJLHEZMPBMWSIK-SSDOTTSWSA-N 544.353 7.543 50 10 KKGE C[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2023847499 VIERZUYITNZRCP-AVPPRXQKSA-N 509.883 6.041 50 10 KKGE BrC[C@H](COc1c(I)cc(I)cc1I)CC1CC1 2050056663 HXPROXZZNUGUPI-SECBINFHSA-N 646.870 5.690 50 10 KKGE Cc1cccc(C(C)C)c1NC(=O)CSC(Nc1ccc(F)cc1F)=C(C#N)c1nc2ccccc2s1 2053622756 NMMMWEASUFRUMV-UHFFFAOYSA-N 534.657 7.683 50 10 KKGE Cl[C@@H](c1sncc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085496564 WUXYAMWAXHNUGE-SECBINFHSA-N 604.181 7.284 50 10 KKGE C[C@@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085500960 TUUQQZKIMJLOJQ-BUYFANAVSA-N 568.767 7.609 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2104787464 QYVWZBDXYUMRSD-ZCFIWIBFSA-N 572.769 8.021 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2111087428 UATZBEZTTGLFBQ-VIFPVBQESA-N 572.769 8.135 50 10 KKGE Cc1cccc([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1I 2138862390 JSEXVGYBPRFBQE-AWEZNQCLSA-N 514.426 6.761 50 10 KKGE Cc1cc([C@@H](Br)c2cc(F)c(Br)cc2F)ccc1I 2142140937 OWZLQEBGVCLPLJ-CQSZACIVSA-N 501.934 6.125 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1Br 2142290209 ZGODLYFAZOJWIM-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE COc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)cc1Br 2202901979 KIXFFOQQDOZMCP-CQSZACIVSA-N 534.388 6.292 50 10 KKGE Clc1ccc(Cl)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405700 OSGHPRVPVIQCDX-CYBMUJFWSA-N 587.158 8.372 50 10 KKGE CN(C(=O)c1ccc(Br)cc1I)C1CCC(CBr)CC1 2207273533 VSBCQZSJLGJBDL-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@]1(C)CCN(Cc2ccccc2)C1 2234057570 MNKYCKGLSVBZFD-QKKBWIMNSA-N 511.689 6.482 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1ccc2c(c1Br)CCO2 2238075080 XVPYYFVLJYUYEW-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 2277887636 FOLZOBLNKGKJDN-QMMMGPOBSA-N 661.671 8.239 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1Br 2282898179 AZXMJWKZOHQLTP-CQSZACIVSA-N 550.285 7.559 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198314 SOIORIDFEMAAPF-OAQYLSRUSA-N 577.287 6.092 50 10 KKGE O=C(NN=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293426901 XRNAFOLOXDWDKN-UHFFFAOYSA-N 548.382 5.903 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(C)=Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2293716015 UKEBKVDCILBSNL-UHFFFAOYSA-N 518.042 5.894 50 10 KKGE Cc1c(C=C(C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Br)cc1 2294168572 SMESBQYQPBYYDA-UHFFFAOYSA-N 520.430 7.459 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2295366221 XTEYUZHWGWQPHN-QMMMGPOBSA-N 507.835 5.745 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(F)cc3)nc12 2296724861 PXBSPLDABQYZBR-UHFFFAOYSA-N 540.370 5.035 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)OCCCC)CCCC4)o2)cc1 2296833303 VNFFVSOWARMLNM-UHFFFAOYSA-N 574.699 7.346 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(OC)c2OC)cc1 2297100580 LODWWOCRQHVHPM-UHFFFAOYSA-N 535.044 5.125 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1OC 2297491214 TYYMXIBVOUJIDF-UHFFFAOYSA-N 534.634 6.334 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1F 2313561045 RDJIOWJCTHZLMI-UHFFFAOYSA-N 556.375 6.180 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314611258 RSYVSLVMOMLCBQ-UHFFFAOYSA-N 546.602 6.260 50 10 KKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314616841 KYSFNCNWUUVAFI-UHFFFAOYSA-N 505.014 6.243 50 10 KKGE CCOCCCN1C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)C(C)=C(C#N)C1=O 2314618845 VKCDCBUMXIINMF-UHFFFAOYSA-N 509.002 5.337 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634849 VGADMCCEQVWQOG-GDLZYMKVSA-N 549.454 7.255 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)c1 2331248613 DALUEFUFBOOTSB-UHFFFAOYSA-N 505.821 6.886 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)n1 2331281688 FQVZZHGFPXGSOG-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 2331318713 SZPLGDJWHUQQKP-UHFFFAOYSA-N 518.551 5.376 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2sc(Br)c(C)c2Br)c(Cl)c1 2353073642 GNFBTOMUFAAYDK-NSHDSACASA-N 507.900 7.681 50 10 KKGE Fc1cc(Br)cc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362248815 DMFIRPCEQFRYAG-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 2362255714 RGNKSMQXDNXZOH-NSHDSACASA-N 526.252 7.795 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2369221727 QNJXMKSZRPMODP-PSQXESDUSA-N 552.370 8.089 50 10 KKGE Fc1cc(Br)cc(OCc2ccc(I)c(Br)c2)c1CBr 2377615801 JETJLTHKUBVSJM-UHFFFAOYSA-N 578.839 6.429 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 3166756 KRPLXAKCLRCAQQ-IFVZJPDBSA-N 583.689 5.553 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739794 FTQZQSYQRDEREN-GPSDDGMOSA-N 508.430 6.367 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 38606328 MNCLTLFBGNJHKY-NLRVBDNBSA-N 526.662 5.670 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 38658636 XLFNUYGPFZRLFO-XDBZFTIUSA-N 514.578 5.418 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38660163 KPRWACYLJIQJKC-SSEXGKCCSA-N 528.605 5.694 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCCc1ccccc1 40911693 MBJCXCVRBPBXNO-PPFNPFNJSA-N 522.645 6.172 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc2ccccc12 58895159 PLIUOVKALLTMAF-HCCFGXPJSA-N 522.645 6.510 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccc(F)cc1 59886823 STMSXQNZELMHSF-VAMRJTSQSA-N 515.610 5.371 50 10 KKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2I)cc1 100141838 LPCUHHZQBYJKCB-MAAPNWIXSA-N 528.390 5.143 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 100236923 IWRWDFUNKVOPQW-WGNDPNKDSA-N 541.988 5.198 50 10 KKGE CC[C@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100257542 WVUSEEIPMVQNMS-AWEZNQCLSA-N 550.247 5.382 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cccc34)CC[C@@]1(C)[C@@H]2Br 100935753 BNGZVJPYZCRFEJ-QSLKPUEDSA-N 616.438 7.896 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101333606 PILGJPHMNDSEPB-RUMWWMSVSA-N 605.138 7.944 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101338183 HKPMSHSSDOFPGF-QXGKLVPHSA-N 554.650 6.006 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C2=O)cc1 101340165 BPHMWJIWQNTXFG-MTDXEUNCSA-N 572.621 5.154 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 101340397 HEZQAKORFGVTLO-AFUMVMLFSA-N 552.993 6.133 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340463 PQZJIVGPCRKKHM-RUMWWMSVSA-N 588.683 7.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365165 ZLQUBKIYWAZRBB-HSZRJFAPSA-N 546.204 5.958 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)c(C)c5)ccc43)c2)cc1 101382328 NQTKONBKBHMRGV-XIFFEERXSA-N 546.623 6.393 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1Cl 101394066 PNOZOSWRFQZRJN-HSZRJFAPSA-N 574.258 6.982 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396248 MGVZGWUBYNSQEQ-SANMLTNESA-N 551.426 6.784 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 101397969 FFJITDKVAOADAI-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCCC(C)C 101727175 AHWOPGDRAPYMNE-MZJWZYIUSA-N 562.555 6.639 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1Br 101751340 HDCHLNBXECVSLT-LICLKQGHSA-N 559.800 5.302 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc(F)c1 103795790 SDMCBOROTNMMDH-HZQMBONKSA-N 587.695 8.062 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 150387741 GQOSTDGJOJZXLP-UHFFFAOYSA-N 627.767 5.947 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 150483376 GXEPPRKDQIBYQK-SSEXGKCCSA-N 635.931 8.452 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 195806568 PPFHNIVPOLWPCF-TXVWBRJLSA-N 541.071 6.075 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 214406504 XBIASZXACCRFGO-MIXAMLLLSA-N 558.613 6.344 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 251407061 MYCARRQNTBVVPF-QWGKTMRZSA-N 521.295 9.920 50 10 KKGE biogenic CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c(O)c1 252634662 WQEYJZHUUFWRJQ-UHFFFAOYSA-N 522.074 5.532 50 10 KKGE CC(/C=C/c1ccccc1)=NNC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br 252638184 XZTZICLQNCMYMB-SRMCBWEXSA-N 564.362 7.510 50 10 KKGE Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)c3cccc(-n4c(C)ccc4C)c3)c2-c2ccccc2)cc1 254450060 KCECNIYLRIVWTD-UHFFFAOYSA-N 548.690 8.291 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2-c2ccccc2)cc1 254452554 SOOKVNFKBPMXGK-UHFFFAOYSA-N 571.747 6.486 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 254841927 YDUJTLYKBJIENN-KTBDLHIXSA-N 590.680 5.682 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024952 KJASBUNXPWZRDN-GNLVQHERSA-N 714.752 12.441 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 256631148 ZTAIYJPKYUNPKQ-XCQDEQHASA-N 773.125 7.141 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 616588293 LAVSLNMQPNHPSL-UOMWBJLJSA-N 697.001 9.876 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1 616680301 MHXJUHJPOKOUKY-MUUNZHRXSA-N 507.772 6.587 50 10 KKGE O=C(NCc1ccc(-c2ccccc2)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237555 JVMNLAJRPWFCKE-SANMLTNESA-N 543.010 7.063 50 10 KKGE COc1cc2ncnc(Nc3ccc(S(F)(F)(F)(F)F)cc3)c2cc1OCCCN1CCOCC1 725426139 QOMIVMHROZPBIF-UHFFFAOYSA-N 520.524 6.141 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccccc1F 725444155 ICLHCUMKQHKKEJ-UHFFFAOYSA-N 523.656 5.315 50 10 KKGE Cc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 1084002584 BBGNVYZKNXUQSO-UHFFFAOYSA-N 563.679 6.073 50 10 KKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C)cc1 1084057859 YEXIZEQAMZNHCN-UHFFFAOYSA-N 574.341 5.986 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084114679 MTYJTJIAXDQKFJ-UHFFFAOYSA-N 528.678 5.563 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cccc(Br)c2)c2cc(Cl)cc(Cl)c2)cc1 1084125974 DHZOCLBITQJPLJ-UHFFFAOYSA-N 555.281 5.410 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1084131156 APDYDZRGSWONQY-UHFFFAOYSA-N 712.269 9.627 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)Cc2ccccc2)cc1 1084602004 FAQMUJBYODPAJU-UHFFFAOYSA-N 626.566 5.701 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 1615950058 PKOCCBJWSCZXMV-VJQVYVLQSA-N 538.860 5.397 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743516 DQVGSVZYHZVMNX-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686696 ZNSZVPWCMAIKAG-RUZDIDTESA-N 522.967 6.712 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OCC 1865687467 RRTBZICHTXUPCE-VWLOTQADSA-N 507.034 6.274 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCCc1ccccc1 1865688311 PABUVJYSFJJELC-QHCPKHFHSA-N 533.510 5.134 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)cc1 1865694506 YPDJLQUMIKEMKP-IBGZPJMESA-N 518.923 5.619 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695152 LKBAIMIHBGUQSD-PMERELPUSA-N 534.660 6.225 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCCCc1ccccc1 1865696969 MEGZIWXUSXTMOV-NDEPHWFRSA-N 571.475 6.182 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702530 BHLRRFOOJRLTBE-MHZLTWQESA-N 532.003 6.385 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711596 CCJAMIRAQZLTSG-RUZDIDTESA-N 544.995 5.445 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712076 OYNDKESEGDGBCQ-HKBQPEDESA-N 554.650 6.946 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712459 ZAMUHNULLHLBLK-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE C[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946429 OSDWPWWHORBWRK-QMHKHESXSA-N 524.440 5.198 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867215590 ZPFKTYHEHHLOCA-AZGAKELHSA-N 580.548 6.527 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872744095 UYNMTDNFJTVEAS-RVROXKIYSA-N 521.598 6.109 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)ccc1F 1872749823 JVEASORAZBSTRN-ROMGYVFFSA-N 509.562 6.625 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)n1 1872754319 NEPNSRIACWLCTP-YVPPRRECSA-N 514.434 6.528 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1872757311 ZTMJCBGQOCBQMY-RGEXLXHISA-N 508.768 6.335 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1OC 1872759798 ZZAHLQAYXATKHI-VZCXRCSSSA-N 515.031 6.758 50 10 KKGE C[C@@H]1COCC[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583265 IADPXXLKTPVJRG-CHKWXVPMSA-N 511.899 6.144 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1Cl 2001995585 RNGLGUBPDPTBQM-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE C[C@H](C1CC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780173 POBBIRKUMGLMMH-GPXNAGAYSA-N 554.740 7.219 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)Cc1ccccc1I 2030214369 XMBMVXOICGMKEM-LLVKDONJSA-N 500.037 6.356 50 10 KKGE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3[nH]c(C(=O)N4C[C@H](CCl)c5c4cc(O)c4ccccc54)cc3c2)cc1 2037924099 JPKOARKDKWYROQ-NRFANRHFSA-N 611.098 7.609 50 10 KKGE C[C@H]([C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C 2070218153 XQYLJEMUWJOIKN-DIYBWPQHSA-N 651.039 8.391 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)sc1Br 2136381294 ZHZKRWDGBMALNT-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE C[C@H](C1CCCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468025 FYMBPRYBHGDSJZ-UOWDBTKRSA-N 538.343 7.843 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC2(CCCCC2)CO1 2166259613 CQXNSDAFEGEYTL-WCBMZHEXSA-N 507.513 7.102 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 2175009657 CEXHFTIIJYRLCP-TVYUQYBPSA-N 676.896 5.600 50 10 KKGE CCCCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 2175011202 VAXFGTFDHYNQMF-MBNYWOFBSA-N 535.896 6.074 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2C)ccc1I 2218791748 DZCFBBHAKVPVCW-GFCCVEGCSA-N 500.037 6.525 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1I 2248216920 WFEZQUAFZQMTSN-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Cc1sc([C@H](Br)c2cccc(F)c2I)c(Br)c1C 2253474271 GCJBHUQWJKOODR-LLVKDONJSA-N 504.000 6.355 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1coc(Br)c1 2260071729 SKTVCTHMAKIVRB-SECBINFHSA-N 509.764 6.330 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2277887635 FOLZOBLNKGKJDN-MRVPVSSYSA-N 661.671 8.239 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2cc3sc(Br)cc3s2)c1 2278096518 LYXJOWATIFTSFG-CYBMUJFWSA-N 504.039 7.312 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2283581335 HFPMCDZEWVXMGY-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE Cn1nc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)c1Cl 2288357842 UOBUVODYGASZCS-MRVPVSSYSA-N 513.789 5.967 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 2293198352 YLKGKXLIGGAWEI-HSZRJFAPSA-N 552.881 5.845 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2296500365 LLXYTVQFALKQJK-UHFFFAOYSA-N 571.869 8.358 50 10 KKGE C[C@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2297462663 NSYXTAJIOOWVSE-ZMYFWEAJSA-N 533.757 6.025 50 10 KKGE N#CC(=Cc1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313567899 PGDXJAXCQDPAAX-UHFFFAOYSA-N 524.024 5.189 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1 2313571093 NEUDRPPOPOZSDQ-UHFFFAOYSA-N 542.260 7.609 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 2313630769 SBELBPVDUWISFT-UHFFFAOYSA-N 532.463 6.694 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447962 CYYVYTAUNMFGCW-NRFANRHFSA-N 525.078 7.583 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc(-c2ccccc2)cs1 2314482614 PRUQUMSQLZLCHK-YTTGMZPUSA-N 508.650 8.230 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C(C)=C(C#N)C2=O)cc1 2314617005 OTXLRTNMMVJWTM-RUZDIDTESA-N 661.784 5.761 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314618443 NQNXYRDDEILACP-GMAHTHKFSA-N 540.623 6.216 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314618739 SQPWKKFELLSDGT-AREMUKBSSA-N 536.632 5.408 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 2314634133 QGEDIKJSPLJLIJ-DEOSSOPVSA-N 532.210 7.137 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1OC 2331340818 SQZJUQULUBYCFL-UHFFFAOYSA-N 511.441 7.219 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 2331364597 OTKFALNYPYGHKG-NRFANRHFSA-N 515.635 6.066 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1OC 2331412997 ZZAHLQAYXATKHI-UHFFFAOYSA-N 515.031 6.758 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)Cc1ccccc1I 2338024170 QCZOCHYUMIENSZ-LBPRGKRZSA-N 514.064 6.746 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCCCCC1 2357682066 CSGAJFKTEFQWBF-OPQQBVKSSA-N 505.541 7.922 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2364119076 JKRLXUNWHHKMHI-SNVBAGLBSA-N 515.947 7.163 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)n1 2365225702 MIYGPTOYRHNAIY-NSHDSACASA-N 533.859 6.122 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1 29491714 XVINIEPFLUJCOV-MWAVMZGNSA-N 588.755 5.997 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38656117 LJRGICBAMMEJDH-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc(OC)c1OC 38657765 WJVXLJMQBOYGEI-MHZLTWQESA-N 508.530 5.303 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 38679319 RZUNQVLUVYTXEI-LJAQVGFWSA-N 514.578 5.303 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38684319 YWHAOFGBOUEKQL-SANMLTNESA-N 504.608 6.153 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686487 GZENTIRHZWIINS-SSEXGKCCSA-N 506.533 5.771 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 40529939 ZJSYMXKZSPLJPA-WJOKGBTCSA-N 514.581 6.207 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 59303920 XVMQPCJIPPJTBM-FADJLKOXSA-N 508.625 7.220 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100185839 IIWAWEUWLRNRRG-UHFFFAOYSA-N 584.349 6.308 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 100237218 OHTWHAAOFVSDBX-ZZJXEYPFSA-N 545.419 5.633 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245736 GHRPLILJUHNLNU-VOEFLUBFSA-N 511.647 6.076 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 101334329 LDGHFHGHDAUVRH-UVPCLOGWSA-N 543.067 6.762 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 101337606 QSNWBXHWEBVSQF-XDQFAZSOSA-N 546.602 6.431 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379804 XWMYIQWSPAKBIU-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381104 XNMAYFHMPLHEHB-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101395773 RJBPEWGDCJDMNN-NDEPHWFRSA-N 623.558 8.469 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610194 KWRWZBHAQLBHLT-IWBSIUBASA-N 555.034 5.305 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104997211 WJNZCDBAWQAAJX-FAJYDZGRSA-N 547.236 5.245 50 10 KKGE N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 214020079 ZLDZRSMDBGFXNZ-ODLFYWEKSA-N 527.518 5.708 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 214406751 WPLYRJRXZGCOAX-QFEZKATASA-N 536.538 5.619 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214423318 WWCRUBZUNPVSCO-NTFVMDSBSA-N 552.631 5.038 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1Cl 236062032 KYGSXQQBGISNOY-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=Cc2ccccc2C(F)(F)F)cc1 252591621 BBKIRRUJTVGUKX-UHFFFAOYSA-N 509.937 5.089 50 10 KKGE COc1cccc(COc2ccccc2C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 252594168 BPZWMAZSKBXKKO-UHFFFAOYSA-N 550.644 5.159 50 10 KKGE O=C(/C(N=C(Cl)c1ccccc1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1 254384620 QSDVKZXCQOVQDL-LVLYWAFVSA-N 616.121 6.894 50 10 KKGE CC(C)(C)c1cc(CCC(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)cc(C(C)(C)C)c1O 254387750 WPGDEFRFBVHKLX-UHFFFAOYSA-N 504.646 6.788 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)n2-c2ccc(C)cc2)cc1 254498901 HHTSUYCXKIYFRG-UHFFFAOYSA-N 593.709 6.081 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 254593642 SUNNKJMVAJGZJQ-UHFFFAOYSA-N 500.584 5.092 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)cc1 254605877 CTNKXQZANVCKKX-UHFFFAOYSA-N 552.627 6.193 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(Br)c(Cl)c2)c1Br 312375025 MBRVUVMUXBYREE-SECBINFHSA-N 513.398 7.430 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2sccc2I)c(F)c1F 398514998 KBPMYCCSMWMFJF-QMMMGPOBSA-N 511.926 6.017 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(Oc5ccc(Cl)cc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575119008 PPOOCYGMZJCPNH-VNNSIFDUSA-N 995.631 12.247 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)c(Br)s3)c2O1 720052764 OTTRYYIYVYLEPY-SREIQFSDSA-N 545.916 6.843 50 10 KKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)c1 725419150 OJNPMKAWFPEEPI-UHFFFAOYSA-N 512.517 6.474 50 10 KKGE Cc1c(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Br)cc1 1083936062 KVCBKWKIWKTEQF-LYBHJNIJSA-N 539.477 6.016 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(Cl)cc1 1083959608 OCAZOWLVCGNGHS-UHFFFAOYSA-N 508.474 7.457 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084134066 NSTZRUAATYJBRW-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084187657 RMBWUDIOCHKDKT-VWLOTQADSA-N 545.463 6.334 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 1084205514 GLFIWUGLYPBEGS-YTTGMZPUSA-N 566.698 6.909 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1084443186 RADTXBHIIBGRTR-UHFFFAOYSA-N 539.032 5.232 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)COc2ccccc2[N+](=O)[O-])c(OCc2c(F)cccc2Cl)c1 1084504010 CKTRXJAQEFPIAF-UHFFFAOYSA-N 528.968 5.342 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 1084547342 SJSOCJMADZAXDT-UHFFFAOYSA-N 619.143 5.050 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084561985 NBPSBTJNFJXFEH-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1 1084580656 XNYZQODTXATXBD-UHFFFAOYSA-N 504.059 5.729 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 1084593429 VZXZNKSAWNIAAK-RUZDIDTESA-N 600.466 5.698 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 1554498770 NQNXYRDDEILACP-FQSYJDCWSA-N 540.623 6.216 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743868 KNLXSEXXUNYAFN-HNNXBMFYSA-N 506.400 5.412 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749065 GTABZQOTTWEDOK-UHFFFAOYSA-N 531.352 5.291 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)sc2c1CC[C@@H](C)C2 1772752786 XTCJORHWFJSKFE-QGZVFWFLSA-N 556.084 6.446 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)ccc1O 1865681542 QDVMXXLODMOLAS-RUZDIDTESA-N 512.541 5.069 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865687949 DTHQLVXHKHUDJA-OAQYLSRUSA-N 543.849 5.622 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688106 JOHLTPFSAMJVEK-MUUNZHRXSA-N 506.606 5.342 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCCc1ccccc1 1865688690 YKFWXNABFIFOFN-MUUNZHRXSA-N 510.569 5.227 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865688873 CZMYHDOMSYGKST-LJAQVGFWSA-N 541.051 6.398 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865689183 LZSWOVUFIWDKKR-SANMLTNESA-N 533.415 6.293 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689514 AYNPPZLDBUBSEO-GDLZYMKVSA-N 526.596 6.345 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689904 GFNUZKDDVCYUNI-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1 1865690641 XSTJFXMPYPJJEV-XMMPIXPASA-N 500.961 6.008 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OC 1865691112 JMDNSXYSENHREN-HSZRJFAPSA-N 571.903 6.315 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)c(Cl)c1 1865691487 UANOGDYMMWPARP-SANMLTNESA-N 559.453 6.697 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865692361 BASOSOACSSJOCH-DEOSSOPVSA-N 543.421 5.927 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc(Br)c1OC(C)C 1865696796 KQFVGNFZVJRVCK-JOCHJYFZSA-N 527.394 5.155 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865697704 ZVSCBZJAZMZIPR-KRWDZBQOSA-N 535.320 5.279 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700874 GOYJNBPVXZUAKI-IBGZPJMESA-N 562.237 5.472 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865702251 QNTWWHMRVJFGCF-MHZLTWQESA-N 574.512 6.978 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706296 SMVFJFHIOSDLFH-AREMUKBSSA-N 561.469 6.856 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c(C)o1 1866671867 AWXOTQHKASDTEN-AREMUKBSSA-N 512.591 5.271 50 10 KKGE CCCC[C@@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866853127 SYLHYAZCHYWNCS-JOCHJYFZSA-N 542.492 6.168 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](CC(C)C)c2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867110503 UDWBAVSXIMZPDH-PWUYWRBVSA-N 561.679 6.210 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 1867134236 MGPCGRWZHLTMQA-VMPREFPWSA-N 584.539 6.910 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178005 BJTDIKHEJVGALA-HHHXNRCGSA-N 540.645 5.400 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)CC2 1868206989 BJLHWYRVOFEWFY-JGCGQSQUSA-N 551.716 7.161 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)n2)cc1 1868528025 NFECPXMTJCUHLO-GDLZYMKVSA-N 549.744 8.498 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)c1 1872749843 KGYXZXJMFVIFHK-PNHLSOANSA-N 505.599 6.794 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923055607 WHPITFXBGLSNGZ-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE CCN(c1ccccc1)S(=O)(=O)c1cccc(C(O)=C(C#N)c2nc(O)c3c(C)c(C)sc3n2)c1 2053607147 QLQHFZHIYONMGY-UHFFFAOYSA-N 506.609 5.179 50 10 KKGE COc1cc(C=C(C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1sc2ccccc2c1Cl 2053621917 DOWIZIRUZVINMK-UHFFFAOYSA-N 504.999 6.165 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC(C3CCC3)C2)c1Br 2056677036 HLASIMRZKORRBO-KTOWXAHTSA-N 521.938 7.298 50 10 KKGE COC1(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085493744 GNOUJJBXMSLFDO-QMMMGPOBSA-N 526.288 6.586 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCCC1 2085496017 OHSZNAVAEXJURU-CYBMUJFWSA-N 524.316 7.597 50 10 KKGE BrCc1cccc(OCc2ccc(Br)cc2Br)c1Br 2092264589 DMADTLLVFVVPST-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Br)c1 2138854952 VKBJZXGFLIGKRK-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@@H]2CCOC[C@H]21 2141468274 IPNLRYSRXLXCHC-QRJBYZQTSA-N 538.299 6.299 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Cl 2141470474 HKKBETITTRGDAG-BOCOKBRWSA-N 539.331 6.405 50 10 KKGE CC12CC([C@@H](Br)c3c(Br)sc(Br)c3Cl)(C1)C1(CCC1)O2 2157464873 JYWZCLWPNCYBJQ-ALXWSUNGSA-N 505.497 6.854 50 10 KKGE Clc1cc(C[C@@H](CBr)Cc2cccc(Br)c2)ccc1I 2208045719 RWXGKBXKYVYVRR-ZDUSSCGKSA-N 528.453 6.503 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1I 2212992615 PTOVWGOFXGCPHH-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1I 2224628418 NVNPFPAJNLYOOL-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232530116 PDLICPBZOQOMKF-VIFPVBQESA-N 526.281 6.873 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2scc(Br)c2Cl)c1Br 2246465803 DVABSLMTXAIZCN-LURJTMIESA-N 544.353 7.543 50 10 KKGE Cc1c(Br)cccc1COC1(CI)CCN(C(=O)OC(C)(C)C)CC1 2256400555 VOZIIBLETJVLJD-UHFFFAOYSA-N 524.237 5.479 50 10 KKGE Cl[C@H](c1cc2sc(Br)cc2s1)c1scc(Br)c1Br 2263623636 QWNVOQANJFIPSA-SNVBAGLBSA-N 507.519 7.640 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1I 2269545249 QJFJTUBWQDPYFC-AWEZNQCLSA-N 607.849 6.151 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(C3CCC3)s2)c(I)c1 2271971983 RYBJTYRXGSYTEH-OAHLLOKOSA-N 512.048 6.867 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](C)C2 2296500546 XELCPGNLGLWPDD-CQSZACIVSA-N 539.997 6.417 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 2297458707 XFMXCNCQBIPHDA-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521364 JBCVBQIDGSVELZ-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F 2313630656 CZASAWOKBRIRTB-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592184 NMPBDMBXCUULFZ-RUZDIDTESA-N 502.039 6.276 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592382 SCUHIVLSFORBKE-MHZLTWQESA-N 511.647 6.192 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594018 XOPFJCDKRCXQHV-SANMLTNESA-N 515.635 5.544 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 2314618052 GISKQEZQFBYYBQ-UHFFFAOYSA-N 538.648 5.737 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2c(Br)cccc2Br)C1 2318173456 WYMJLDHRGDIPPR-GOSISDBHSA-N 589.106 5.933 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 2331237779 DAGHFWUXCDMZAR-UHFFFAOYSA-N 513.578 6.709 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Br)cc2Cl)n1 2331282224 SIZLAHOFVRCRKZ-UHFFFAOYSA-N 505.821 6.886 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 2331376586 VZOGOJIBYBJFKT-AZUAARDMSA-N 503.624 6.010 50 10 KKGE COc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)S(=O)(=O)c1ccccc1 3084638 JECDBAVYTLMMBY-ZCTHSVRISA-N 564.063 5.273 50 10 KKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 33378980 LATBQAZZLVNJMF-LGUFXXKBSA-N 506.606 5.486 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc21 38686075 HJTRTEGDWUJYAC-AREMUKBSSA-N 523.416 7.000 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 38686145 SQNAMQDXBLKMOT-VKGTZQKMSA-N 516.569 5.986 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 38686898 WOYVICHCEWPEEM-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 38687164 FPPQDXSLUDOALM-XMMPIXPASA-N 523.416 6.737 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(F)cc1 97610447 VNRHUOFDRVPFCE-PXNMLYILSA-N 507.186 7.547 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1OC 97914301 HCCOKVTZVPBHBB-RUZDIDTESA-N 507.458 5.157 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 100234244 VHVOOBSYJPCTDU-DOGWVCNLSA-N 538.475 6.667 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 100958784 WMHQEGNOCFIXGN-BMPNZVKJSA-N 612.708 5.755 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101033940 ZLWBOIUZSUVXQL-CPNJWEJPSA-N 517.522 7.302 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034111 XPYZTRMNXYJYFW-RIYZIHGNSA-N 580.803 7.565 50 10 KKGE O=C(NNC(=O)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12)c1csc2c1CCCC2 101229603 QSCJZRUHYHPFNA-UHFFFAOYSA-N 528.033 6.830 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 101333620 RIWVRTSDWYJAFN-XHLNEMQHSA-N 599.757 5.742 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101336933 SLWVQONSGJJOGD-ADTIMHKYSA-N 514.585 5.464 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCCC(C)C 101368492 NIRGIZJFGPSXIX-UMSFTDKQSA-N 574.677 7.076 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380218 PNMFVUWYTVYKFT-HKBQPEDESA-N 536.559 5.916 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1 101383880 PVCPANUOQMOCAR-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101390757 FIFUQJRJYMGNJQ-AREMUKBSSA-N 559.416 6.730 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc([N+](=O)[O-])c2)cc1Cl 101391812 OBHXOHWDYKXXRT-DEOSSOPVSA-N 554.386 6.518 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101392017 SNUIRWFWWRWPFX-OAQYLSRUSA-N 527.816 7.299 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)CCC3)c(Br)c1 101603730 PHDQGCDQFQNVOM-VUTHCHCSSA-N 549.252 6.688 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 101684688 PJQWNMLIXOVMGS-XDHOZWIPSA-N 567.436 5.556 50 10 KKGE COc1ccc(C(=O)Oc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 102933842 JJAQICSZFQJNRG-BOPFTXTBSA-N 552.337 5.139 50 10 KKGE N#C/C(C(=O)OCc1ccco1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 104345300 ASENMQMRSUMHLZ-HWNIBJRTSA-N 554.378 5.120 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1 150427125 YZVXRMQFVALLJT-POBUXNOSSA-N 667.338 6.004 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442216 WYZZGXYREHNHPJ-XIFFEERXSA-N 635.116 8.427 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 169682243 ZODHPXNJFNZLJV-GXWCGODMSA-N 597.722 9.946 50 10 KKGE C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 195781363 CDNNKGWZSNSADW-UHFFFAOYSA-N 741.550 7.184 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 205667192 HCHYJRBQZTXVPY-CBSMRTRBSA-N 548.570 6.250 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 214333229 GHBFGCOHJAPXSM-RIRGPFDCSA-N 529.556 5.801 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214386450 YIYMAYPBZRAYRT-YKQZZPSBSA-N 614.702 6.794 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 231223076 PPFHNIVPOLWPCF-QSUVIHHLSA-N 541.071 6.075 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2cc(Br)c(Br)s2)c1 236029929 PCFRSTJRTZORCT-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 252625893 QRKCXYNGDCOJGA-SFHVURJKSA-N 705.420 6.194 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254287457 GASBVKHLGQYZKH-UHFFFAOYSA-N 752.821 6.491 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(C)=C\c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254482150 BIUBKOKUTOAAOF-ROBULJNQSA-N 529.666 6.131 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(Br)o2)cc1CSc1nc(C(F)F)cc(C)c1C#N 254526444 NXAXCYSXFWMPNV-UHFFFAOYSA-N 535.370 5.620 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254527248 FKNFIXGHQSRCBK-UHFFFAOYSA-N 587.702 5.417 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254572101 DDQRDCLUZWQDCQ-UHFFFAOYSA-N 543.693 5.882 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@H]2Br 256020002 RBCJWUYSJYSMKY-VEIIVLAUSA-N 568.346 6.677 50 10 KKGE COC(=O)c1ccccc1CC[C@@H](O[Si](C)(C)C(C)(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 504203774 TTYRCYYRNBZSRU-QLRBWNPDSA-N 572.221 9.541 50 10 KKGE CCCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C/C=C/[C@H](CCCCC)OO)OC(=O)CCCCCCC/C=C/C=C/[C@H](CCCCC)OO)OO 725423203 SOQCDTNXVWQPLF-WGQNJFHUSA-N 989.426 16.220 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817676 XIJUVZWMRLQMRZ-SVHCOPSJSA-N 834.994 7.822 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1 1083915662 HJMJYXTZVIHFNR-UHFFFAOYSA-N 582.292 7.338 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084167737 DGEYXCCYISRIPS-RUZDIDTESA-N 525.418 5.860 50 10 KKGE CC[C@H](C)Oc1c(I)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 1084174103 DFTDDDQSOZIYCL-ZVCOJXFSSA-N 543.405 5.224 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4cc(C)cc(C)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084359636 LCRLXZVORFZYGK-SZZWIKJPSA-N 555.744 6.921 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2)cc1 1084439230 JWGZIMSOYRXYDO-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE COc1ccc([C@@H](C)CC(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)c(O)c1 1084533088 KFNQRIMCAADYEX-IBGZPJMESA-N 554.628 5.488 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084537484 NPAYVHCQUGSWAW-UHFFFAOYSA-N 603.223 6.218 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1OCC 1084630266 IHYOQRJRLJYEON-UHFFFAOYSA-N 620.171 6.995 50 10 KKGE COC(=O)C[C@@]12NC(=O)O[C@@H](C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)=C[C@@H]1OCOCc1ccccc1)[C@H]2[C@@H]1COC(C)(C)O1 1307258350 AYJZAWPVNWNSJY-XHCZQTDHSA-N 715.916 5.241 50 10 KKGE CCOC(=O)Nc1ccc(NC(=O)N/N=C2\c3ccc(Cl)cc3C[C@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1614983124 KUNZWNTVUACJGQ-AGHPQNARSA-N 558.397 5.581 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1O 1865684671 VJPHNNZVXBGPRB-MRXNPFEDSA-N 511.287 5.189 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(Br)c1O 1865688756 ZYZOWYWSFGLHQU-KRWDZBQOSA-N 553.310 5.174 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865690931 FHDZMENOZDBBGW-XMMPIXPASA-N 527.452 6.206 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695218 MZKMNYQPDYWEDH-RUZDIDTESA-N 547.840 6.394 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704070 MCXFQUARSBCQEU-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865704316 SKWCEGGVZNRYPL-PMERELPUSA-N 575.068 7.307 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704592 ZLNNPNURCRBPMW-AREMUKBSSA-N 572.974 7.495 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707338 UUTCPSUVHPBQQY-AREMUKBSSA-N 570.477 5.352 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865708648 BWQOPNOQBWBOCS-MUUNZHRXSA-N 564.086 5.147 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710168 QAMWUOYOTTVTSE-DEOSSOPVSA-N 557.950 5.099 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866129668 FBHFWEOYHUCCJD-LFIBNONCSA-N 529.843 6.726 50 10 KKGE CSCC[C@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866599229 WMBRRFVJEABEGY-DEOSSOPVSA-N 570.806 5.539 50 10 KKGE CCCC[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1)C(=O)Nc1ccc(SC#N)cc1 1866633316 CZZMLHYEDQZSRX-JTHBVZDNSA-N 586.139 5.064 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccc(F)cc2)c2cccc(F)c2)cc1 1866782223 OVCMCIWHXFJXSZ-IHLOFXLRSA-N 587.717 7.117 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2csc(-c3ccccc3)n2)cc1 1867046426 VUSJGEXWUCPESI-VWLOTQADSA-N 530.650 5.821 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867052387 CMLJWIKMKRCNHH-DEOSSOPVSA-N 531.638 5.216 50 10 KKGE CC[C@](C)(NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141675 SPVVLZYXNYZHAR-LXFBAYGMSA-N 522.070 6.367 50 10 KKGE CC[C@@](C)(NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218328 AMVBLEUXFFVJGO-FUFSCUOVSA-N 535.641 5.862 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc(Cc3ccccc3)n2)cc1 1868207168 INLSCQKSLVXKEQ-VWLOTQADSA-N 531.607 7.744 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@@H]2c2ccccc2)n1 1868253213 CNKJJYMWQMTSOA-YTTGMZPUSA-N 535.717 7.258 50 10 KKGE Cc1ccc2cc3c(nc2c1)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2C)n1)CC3 1868301817 ZMMWRNIPXZWFAE-UHFFFAOYSA-N 500.631 7.320 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)\c2ccccc2)cc1OC 1872752317 WQQLYQWNVQLPKZ-YBPUJKHQSA-N 508.643 7.984 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OC 1872795294 XXHIMXURPURTGX-HMMYKYKNSA-N 508.640 6.868 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)n1 1923040338 UMNPXDYWQZKQCE-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065398 BQUQLXFYQVVRGT-ZETCQYMHSA-N 542.287 7.312 50 10 KKGE C[C@@H]1COCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583264 IADPXXLKTPVJRG-ATRFCDNQSA-N 511.899 6.144 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924585053 GRUTUBGINXATIQ-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2C3)c1Br 1924608823 NWOOQTGKYPKWMB-ZKQGETEISA-N 507.911 7.052 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1csc(Br)c1Br 1925546746 QSMNUXRXYNCRND-SCSAIBSYSA-N 564.771 7.888 50 10 KKGE C[C@@H]1C[C@@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997173509 KYYUAXXIHAXWAO-DSYKOEDSSA-N 511.899 6.287 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23C[C@H](CCO2)C3)c1Br 2019934481 QNSXTLBQWUVBRB-HCPJGSBBSA-N 509.883 6.041 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2031481137 CFVFBOYNFOKHCB-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE F[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085493376 BABSLDSNKJEDCW-YUMQZZPRSA-N 542.184 6.917 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cccc(Br)c1Br 2117890338 GLIMRWOJMAFHPJ-SNVBAGLBSA-N 503.016 5.325 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(C)C 2123247299 QGJMULMNGPTMTF-INIZCTEOSA-N 503.300 5.888 50 10 KKGE ClCCc1ccc(Oc2c(I)cc(Cl)cc2I)nc1 2138580987 RQMJKRRYJVFBSO-UHFFFAOYSA-N 519.935 5.518 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)c1Br 2138864196 NYAHPJRJRMDQOW-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE COCC1(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468978 PSJTYUMBINWYCU-VIFPVBQESA-N 584.766 6.989 50 10 KKGE Cl[C@H](C[C@@H]1CCCOCC1)c1c(Br)c(Br)cc(Br)c1Br 2206396137 SPGWGWPRHVNAOE-LDYMZIIASA-N 554.342 7.223 50 10 KKGE Fc1ccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206397002 DANHAZXGNFCJSR-VIFPVBQESA-N 594.736 7.554 50 10 KKGE Fc1ccc([C@H](Br)c2cc(I)ccc2Br)c(F)c1F 2225928430 GNXXDRICZUGIPG-NSHDSACASA-N 505.897 5.955 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Cl)s1 2233020205 JWFMTKQHYSPZPL-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nn(C)c2Br)c(C)c1Br 2235606153 BGQAKLLARQKFGA-CYBMUJFWSA-N 529.896 6.117 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)c(F)c1Br 2236107694 HMPQAODSTIZWEQ-NSHDSACASA-N 537.793 6.876 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)cc(C(C)C)c2)c1Br 2280676123 AXXKZBFVPCMONC-CYBMUJFWSA-N 501.509 7.796 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1O[C@H](C)CC 2313556350 WRICQQLPLBYPCS-QGZVFWFLSA-N 510.432 5.772 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1C#N 2313571404 VPYRVQPCSLBWMM-UHFFFAOYSA-N 557.231 6.761 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccc(Cl)c(Cl)c1 2313738838 RYWVMCOGJSDNJE-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE CCCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)cc2)cc1Cl 2314433295 LVASLYYGNZIRTD-UHFFFAOYSA-N 614.105 8.273 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC1CCCCC1 2314476250 LMQKBZDRLWQRFX-UHFFFAOYSA-N 543.693 5.070 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592337 RFIXNXFHGVIJTG-DEOSSOPVSA-N 554.455 6.076 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634611 OZMCZTDBUCNPPC-PMERELPUSA-N 510.590 6.101 50 10 KKGE CCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1 2314737248 UHJKEBVQMKLESU-UHFFFAOYSA-N 510.590 5.716 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331405571 YMBRCKUMSRKUGG-LRTDBIEQSA-N 512.418 6.620 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 2331432724 SWNFTYBTVIHFIB-UHFFFAOYSA-N 500.465 7.663 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNC1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2353241356 ACEWLNPHJRXAGS-IOJLRTSASA-N 503.775 5.298 50 10 KKGE Clc1ccc(I)cc1C[C@H](CBr)Cc1ccc(Br)cc1 2380514735 HPSGKCMFCUMWAH-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5)ccc43)cc2)cc1 38686270 MFMAXWMXMBGJMZ-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)c1 40530010 LMBQCTLOJKQKBW-GDLZYMKVSA-N 512.606 6.480 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 40882546 VLXHZKZVLUQQQR-LTGZKZEYSA-N 504.608 6.325 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2I)cc1 100141821 XTZOLOPXAOLOOA-FJLJVCJUSA-N 607.286 5.905 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(Cl)cc3Cl)nc12 101115859 DPDAZLOSZQTPQI-UVTDQMKNSA-N 560.224 6.955 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242215 MZLQIJRVAVUZSK-MIXNUDJGSA-N 540.472 6.452 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101307476 MCLJVLZKCQVZQC-GDLZYMKVSA-N 536.584 6.369 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101338006 ZZDZEFHOEOLWML-YZSQISJMSA-N 549.030 6.036 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 101338066 LCCMVXLWEWBECT-TURZUDJPSA-N 528.612 5.691 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101340725 PTQGDFHGVDRGMP-STBIYBPSSA-N 577.084 7.020 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101374462 BJKSPNOHKAEALW-NDEPHWFRSA-N 577.475 6.854 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101376088 VGADMCCEQVWQOG-CMTPBHGOSA-N 549.454 7.255 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379859 WMPAHMPPZBKAMQ-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382633 BCSNUGIVYQXQRF-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 101385667 IMRFGHBZSDVRIX-LJAQVGFWSA-N 607.877 7.672 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101387781 WVXYXZFCOARWSF-UMSFTDKQSA-N 576.649 6.484 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387878 ARCMCPPEZXNQPR-PSXMRANNSA-N 618.730 7.473 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101388782 IAPWZNNNOMDCRL-HKBQPEDESA-N 550.586 6.549 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101393206 AFSZUOAHECIACV-LJAQVGFWSA-N 611.522 7.797 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2OC)c1[N+](=O)[O-] 101479311 JXVTUZWWUOXFEP-UHFFFAOYSA-N 528.698 7.044 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C(C)=O)c1C 103641213 JMPGUOGUEZFIIN-NTEUORMPSA-N 506.436 6.843 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 105020721 XBYIEUXYXHVQOK-STKMKYKTSA-N 546.336 5.429 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1cccc2ccccc12 108698330 GNRLMNOGGHOHEQ-XKZIYDEJSA-N 619.415 6.876 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920730 KCEQSXCXMOAMQF-FLRYQOJESA-N 561.335 10.908 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc4cc(Br)ccc4c3Br)cc2)cc1 150386877 RFGQHUCKOSTNJZ-UHFFFAOYSA-N 653.371 6.755 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389100 IBJXJKNMYBPYLO-UHFFFAOYSA-N 739.078 5.678 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc2ccccc12 163744956 HFKDFUKWPSHRKS-ZXVVBBHZSA-N 643.525 6.678 50 10 KKGE COc1c(I)cc(/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/c2cc(I)c(OC)c(I)c2)cc1I 164003799 OJKBPBQNRAMUQG-WMFSDKRHSA-N 998.220 7.624 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 164012383 ABNDQWXYILJFIN-ZSNJKBEMSA-N 682.759 7.137 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164614837 MLAYGUUACFDJRR-IPBVOBEMSA-N 688.541 7.559 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 164615858 MTPMAPJQPUOPAT-KVSWJAHQSA-N 621.123 7.372 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205648466 QNIJLPSCZQTKRT-HPWHTHCCSA-N 510.590 5.838 50 10 KKGE Clc1cc2c(cc1[C@@H](Br)c1cc(Br)sc1Br)OCCO2 236040466 UQMOVZGDJQMEFS-GFCCVEGCSA-N 503.437 6.182 50 10 KKGE Fc1cccc(Cl)c1C[C@@H](Br)c1cc(I)ccc1Br 236142371 COCPBNOAWCAGFJ-GFCCVEGCSA-N 518.389 6.525 50 10 KKGE Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 252633952 WISBUVKUQSLBOF-UHFFFAOYSA-N 583.236 6.158 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254290759 OATWWJOGNUUJRY-UHFFFAOYSA-N 598.784 9.056 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccccc2)cc(OC)c1OC 254395475 RUNVLKYMGBFIHL-UHFFFAOYSA-N 553.644 5.356 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254509411 XLCIBCTXFQPOSB-UHFFFAOYSA-N 523.674 5.792 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 254521967 OWPXBPQHVONNSF-XYSKAPNESA-N 506.558 5.510 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O 504156922 OIGMHIMRSGHQEE-PHJJEIOKSA-N 926.263 6.456 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 616689640 HWXAVZBUZKWRAY-VWLOTQADSA-N 507.772 6.786 50 10 KKGE Fc1ccc([C@H](Br)c2scc(Br)c2Br)cc1Br 705417218 DIQPXNGLRCNPLQ-VIFPVBQESA-N 507.842 6.659 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 725420901 BQHSRSSLZHFPTH-XMMPIXPASA-N 514.981 5.429 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@H](C)SCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725443885 CMPVVVYZWVCOBM-VIKYFBQLSA-N 539.701 6.462 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCc1cccc(C(=O)O)c1 1083934696 BSLAHNGNDRZIGO-UHFFFAOYSA-N 537.783 5.462 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 1083960187 OQBICRHHUDBWHM-UHFFFAOYSA-N 712.269 9.627 50 10 KKGE CCCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 1083994982 UVMBBOAFMDADIN-UHFFFAOYSA-N 504.222 6.064 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)c2cc(Cl)ccc2OC)cc1OC 1084383116 STVPBDYRSIAVCE-UHFFFAOYSA-N 679.117 6.138 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 1084388620 BJWUCXLIVKQIFP-MWAVMZGNSA-N 541.655 5.801 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc(OCC)c1OCC 1084396328 SHWGEQWTBUAENJ-UHFFFAOYSA-N 527.017 5.888 50 10 KKGE O=C(Cc1nnc(NC(=O)c2ccccc2)s1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1084648602 JVGOCGCKIGUVRS-UHFFFAOYSA-N 540.432 5.369 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc(Cl)cc3)c2C)c1 1084657411 KCMBCCFPJQWIIT-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE C/C(=N/NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(C)C)C(=O)NCc1ccc(C)cc1 1615526608 QZJMDLVMTUQKFX-DFHNUWKMSA-N 554.691 5.303 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1 1772721874 DWEFOAFZTVKXLF-APWZRJJASA-N 521.853 6.815 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865686238 SRQKIRKSJOPWNC-HNNXBMFYSA-N 534.152 6.782 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865687811 AXPRNILULVCEEX-MHZLTWQESA-N 536.994 6.771 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(OC)c1OC 1865692422 LWNVKPUMYKGZNY-VWLOTQADSA-N 508.578 5.151 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695718 ROWXLMAVKGQBMR-SANMLTNESA-N 514.988 6.083 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865696074 XESUZNONEALEQN-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865697634 YMUKSIJQFNFEMW-NRFANRHFSA-N 523.431 5.594 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698448 UEEIBGBCRXSXRP-RUZDIDTESA-N 526.980 5.250 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865701999 KKWASFPXFVFRSK-NDEPHWFRSA-N 503.650 6.280 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702039 LERLPJQTMYILOP-SANMLTNESA-N 560.485 6.919 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703085 MTBVGTLORDLZAS-XMMPIXPASA-N 516.523 6.305 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865703894 ICTAZMRLKUITJC-RUZDIDTESA-N 547.442 6.683 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712224 SOBCZALPCODAHW-RUZDIDTESA-N 503.389 6.285 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)c2ccccc2)cc1 1867005277 KSUYKRMARYJUJO-CLJLJLNGSA-N 504.055 6.683 50 10 KKGE CCCC[C@@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867071152 NUNJCOVJUALXHW-JOCHJYFZSA-N 508.669 5.638 50 10 KKGE CCC[C@@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867218089 CTDJDXCNFNVIMA-RRPNLBNLSA-N 536.097 6.757 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1 1872744184 IREZHCACSICYDM-PNHLSOANSA-N 505.599 6.740 50 10 KKGE COc1cc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1OC 1872751271 ZNCKZKZREVMABH-VZCXRCSSSA-N 507.612 5.356 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)sc(/C(C)=C/C#N)c1C 1873427560 ZHHAVQPLLKVBJE-XNTDXEJSSA-N 513.575 5.440 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cscc1OCc1ccccc1 1899881635 HFJHISSZERQBLM-VWLOTQADSA-N 544.308 8.153 50 10 KKGE CS(=O)(=O)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923074496 NFRDOJSIAKBREG-VIFPVBQESA-N 523.493 5.814 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924599006 AGSIEARXHILJBL-SECBINFHSA-N 560.277 7.405 50 10 KKGE CC(C)Oc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924599580 JLPFKKANUFJSKL-LLVKDONJSA-N 547.932 7.307 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCC23CC3)c1Br 1924612596 MRXXOPSNJTVXNW-HTRCEHHLSA-N 507.911 7.052 50 10 KKGE Cc1ccc(CNC(=O)c2ccc(C(OC(=O)[C@H](CSSC(C)(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)(c3ccccc3)c3ccccc3)cc2)cc1 2080392021 JOIRBOQTRPXLDO-GWHBCOKCSA-N 821.077 10.847 50 10 KKGE CC1(C)c2cccc([C@H](N[S@@](=O)C(C)(C)C)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080751751 VHKADKPVTWWGNZ-MUNDKMRRSA-N 603.768 8.018 50 10 KKGE CC[C@@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206395111 LQQWQPXWOZZMQN-KWQFWETISA-N 554.386 8.479 50 10 KKGE C[C@H](C1CCCCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396561 YLIKPVSFWMTZHW-GLEZIHRCSA-N 552.370 8.233 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1Cc2ccccc21 2206404800 YLNYKUSHKYUOAC-PSLIRLAXSA-N 544.306 7.356 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Br)c1 2218598163 QTZINIRVPCVODO-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE COc1cc(Br)c([C@H](Br)c2csc(I)c2)cc1C 2220438598 PBWMCPWQYWFLLT-CYBMUJFWSA-N 502.009 5.917 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(C)ccc2I)cc1Br 2240995475 HNLSYMIQWPLYFF-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE CCCOc1ccc([C@@H](Br)c2scc(Br)c2Cl)cc1Br 2279287797 MAYKNYFEMUXCEH-GFCCVEGCSA-N 503.481 7.200 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2285950866 RZRDIUZRDROZLS-ZDUSSCGKSA-N 509.797 7.234 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1ccc(OCc2ccccc2)cc1Br 2299501264 MMOCFTUNJFBLIA-QGZVFWFLSA-N 551.525 7.943 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2ccccc2c1 2313567177 CQJSZXIXCCNRBP-UHFFFAOYSA-N 527.418 7.044 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314441898 CTPKZEBPSWMLBW-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593100 HLQMWDRZNULLDB-LJAQVGFWSA-N 523.702 7.218 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593461 NDKRRIMDKUBSAI-ZBLYBZFDSA-N 511.647 5.616 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314609959 AUGFIZPMQSZPAX-NRFANRHFSA-N 506.606 5.803 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 2314634024 BXWYEEZAIZPCJO-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OCc4c(Cl)cccc4Cl)c3)nc2c1 2331046499 IKWKLJYLZAOHDJ-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(Cl)cc(C)c4OC)cs3)cc2C1=O 2331391799 GKIJAOVAWMQEEB-CQSZACIVSA-N 507.999 6.125 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c2ccccc12 2331408310 VWQQDTFNXIUHCE-UHFFFAOYSA-N 514.563 5.667 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(C)c1I 2338027935 ZYQYEYWXADHQCQ-AWEZNQCLSA-N 514.064 6.860 50 10 KKGE Cc1c([C@@H](Br)c2ccc(Br)c(C)c2Br)ccc(Cl)c1Cl 2364440971 ORQUAYKIEVJLAP-CQSZACIVSA-N 501.871 7.620 50 10 KKGE C[C@@H]1C[C@H]2C[C@]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368711661 FVLRHCKSVRXGHS-BVDAKZFTSA-N 552.326 6.974 50 10 KKGE Brc1cc(CN2CC[C@@H]3CC[C@H](Br)C[C@H]3C2)ccc1I 2377314687 HCFCWPXSKATWDQ-IHRRRGAJSA-N 513.055 5.439 50 10 KKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3cc(OC)ccc3c2)cc1 2176550 UUXNLGPMLNJEBK-UIBFKDTOSA-N 507.590 5.558 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1 14648357 BVXJXXFHBUWCJS-UHFFFAOYSA-N 504.425 5.078 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCCC2 35484935 PHAHVUMHVWWJDA-FXBPSFAMSA-N 522.630 6.202 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 38605478 KNVLUIWPMAOREI-YDZHTSKRSA-N 525.565 5.094 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 38607513 MUKHLSCMPCVTIN-VUTHCHCSSA-N 512.613 5.991 50 10 KKGE CCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OC 38608638 ZYCRVYQPRNVDDF-XIEYBQDHSA-N 502.611 5.498 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 38686683 MLGKHNVWKAWWIO-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1F 59304702 IFHDOTONFVYPSI-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100189093 HAFBGYGPKJJTEJ-UHFFFAOYSA-N 577.328 5.430 50 10 KKGE COc1cc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc(Br)c1OC 100869618 LGNSPFFUKNCYFY-MUXKCCDJSA-N 569.253 6.208 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]2Br 100922443 JIESCVYWQVKWBA-RLCCDNCMSA-N 583.373 7.271 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 101307549 MOVIIVCLZPEHNT-DEOSSOPVSA-N 613.906 7.872 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101340541 ZPVSSDWRSMLVPH-CVKSISIWSA-N 528.543 6.217 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101368189 JLXKWBALIIMHDP-MHZLTWQESA-N 563.994 6.263 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101368373 XCZCMNFLPJLJPK-MUUNZHRXSA-N 597.495 7.263 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 101372159 XFGMETSFWQINCH-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101373765 SOUWRQIHOGIVBK-UKPGIYTDSA-N 556.659 6.589 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 101375310 IONFKGHVDUNUDG-WJOKGBTCSA-N 560.622 6.386 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 101377039 HAEJWJDNIZEBCQ-MUUNZHRXSA-N 529.549 5.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382919 RCSMVMCRFGRGBZ-JGCGQSQUSA-N 559.021 7.510 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386218 OYZHYBUIEFTFMG-HKBQPEDESA-N 614.010 6.038 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387499 CJBDGEPGDNTSDK-LJFMQPAYSA-N 613.497 7.726 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389542 IDLDGCPWRGTSDA-MQFAKOPTSA-N 598.602 6.534 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101394850 QMFJCMIUGJHFCT-YTTGMZPUSA-N 580.681 7.763 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 101638050 OAOVEMYMBJMWNE-UHFFFAOYSA-N 570.322 5.531 50 10 KKGE Cc1ccc(C2=CS/C(=C(\C#N)C(=O)N3CCN(C(=O)c4cccs4)CC3)N2c2ccc(C)cc2)cc1 103152629 OHPPXZZTJPFHMN-RMLRFSFXSA-N 526.687 5.637 50 10 KKGE C#CCOc1ccc(/C=N/NC(=O)c2ccc(OCCCCCCCCCC)cc2)cc1Br 103730810 JEGVXLLRPGSQSB-XHLNEMQHSA-N 513.476 6.745 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 103742774 ZNOWBQSAGQMQFQ-XCQFTPQJSA-N 526.420 5.875 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Br)cc1 103755139 OFSBZJPFSISRNI-CIAFOILYSA-N 584.308 7.352 50 10 KKGE CN1C(=O)/C(=N\NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2cc(Br)ccc21 104995985 UPIRLJNOGFMSIA-MYYYXRDXSA-N 576.514 6.305 50 10 KKGE CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(C)cc3)s2)ccc1OCc1ccc(Cl)cc1Cl 105622460 YIHQZGGCTJAAGD-IBBHUPRXSA-N 598.512 6.076 50 10 KKGE C/C(C[C@@H]1C[C@H](CC#N)C1(C)C)=N\NC(=O)CN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 136139508 KBXRZCKYAOFMGW-SPMCXFIKSA-N 573.698 5.415 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCC(C)C 150486458 ZMILSORPPWUHSY-VWLOTQADSA-N 629.949 8.342 50 10 KKGE Cc1ccc([C@@]2(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)cc1Cc1ccc(-c2ccc(F)cc2)s1 199906954 YZFQLHRSWVLYNM-HNVKGOKNSA-N 749.255 9.509 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214322360 DTCPJGOVALCESG-BMIAQULGSA-N 536.632 5.345 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214383742 QYSNKALTXADDHO-MYYYXRDXSA-N 510.565 5.904 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 214390016 LYRRXOLVCYDFFX-IWIPYMOSSA-N 530.621 5.956 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1Br 233790853 HKJPZJRODIRLRB-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O 248159535 KIELDCCFMKNOOM-JNGSLMMQSA-N 968.182 6.765 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](I)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 251442200 VOXJHJRLIGNTTG-POKRMJQFSA-N 644.722 9.986 50 10 KKGE biogenic Cc1ccccc1[C@H]1C(C=NNC(=O)CSc2nc3ccccc3s2)=C(c2cccs2)Oc2ccccc21 252630264 UYCWQRNYGCIAAE-MUUNZHRXSA-N 553.734 7.496 50 10 KKGE C[C@H](CI)[C@H]1CC[C@@H]2/C(=C/[C@@H]3CS(=O)(=O)[C@H]4CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]34)CCC[C@@]21C 253387350 IDATXVLPBFLZRH-KAANTYKSSA-N 620.754 7.804 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(/c1ccccc1)c1cccs1 253572018 PRGNWOXPFAKROQ-KRUMMXJUSA-N 523.087 5.452 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 254341181 CCEBUGGODKOFTR-UHFFFAOYSA-N 510.675 7.074 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 254480237 JGTMCUIQUNDXMY-UHFFFAOYSA-N 560.654 6.436 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 254766158 XMICSITWONCBES-UHFFFAOYSA-N 550.784 8.934 50 10 KKGE C[C@@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 312379341 MYOLYCLHPAHWIE-ZYHUDNBSSA-N 515.027 5.222 50 10 KKGE C=C1/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 504040583 DCCWLTTWSBJXFK-KOUAJVEVSA-N 771.257 11.465 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCCOCc1ccccc1)[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504697697 HWHRFDRXRCBUIC-AXEMHBPCSA-N 731.183 11.051 50 10 KKGE in-vitro CNc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]3OCO[Si](C(C)C)(C(C)C)C(C)C)c2n1 616589694 XUDQDXDSYMPKPH-LBAZPLDGSA-N 986.237 10.693 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591281 XORYGFNCJVGENP-XTBGWBRVSA-N 795.014 9.608 50 10 KKGE CCOCc1cc(CBr)ccc1-c1ccccc1S(=O)(=O)N(COCC[Si](C)(C)C)c1noc(C)c1C 725237848 SBMPZRKISLLHDB-UHFFFAOYSA-N 609.659 6.897 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 1084001265 CPVMDAXDDJCQGG-UHFFFAOYSA-N 622.681 7.379 50 10 KKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084034427 CHXACPICLJDCBL-GHXNOFRVSA-N 531.031 6.629 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084093806 XPGBDPNYCXVIEV-UHFFFAOYSA-N 560.610 6.712 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Br)cc1 1084138962 MGZQZQZLFBZRLS-DEDYPNTBSA-N 572.286 7.618 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 1084176616 NGGMITABZXNUFO-VWLOTQADSA-N 559.448 5.370 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1OC 1084255192 RGYXTMFCICZGTB-UHFFFAOYSA-N 588.730 5.382 50 10 KKGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084320373 UMNZETYNIUWWSG-UHFFFAOYSA-N 590.474 5.930 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 1084402111 INOKBJOKYDTJSG-JOCHJYFZSA-N 515.379 5.140 50 10 KKGE O=C(COc1ccc(Br)cc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084467979 NVWLLEJGWLNCSL-UHFFFAOYSA-N 595.453 7.011 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cccnc2)cc1)S(=O)(=O)c1ccccc1 1084549409 DRFODEJJHSABIP-UHFFFAOYSA-N 519.026 5.203 50 10 KKGE N#C/C(=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1084601910 QIYCDBAFVFLGGX-MOSHPQCFSA-N 544.405 5.435 50 10 KKGE CCCN1C(=O)C(=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c2cc(C)ccc21 1772720386 MTRUKTHONLCLKH-UHFFFAOYSA-N 527.422 5.863 50 10 KKGE COc1cc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(OCCC(C)C)c(OC)c3)c(C)nc2C)ccc1OCCC(C)C 1772721639 YIUWKZDHCHZQEP-UHFFFAOYSA-N 631.774 6.093 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689385 QZQBVAIKBNXOFQ-QFIPXVFZSA-N 517.383 5.283 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689685 CJXDFFJACLPCED-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690193 LAYHSDLVGIZHOK-NDEPHWFRSA-N 527.584 5.740 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865694333 WSAKIEUDXVCEIC-SANMLTNESA-N 540.595 5.762 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694978 HCCMZDHEAUKETM-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865702819 FYSOOAMSMSEKAX-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703911 IOTHLVYUSHUVRO-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865703964 JQMXTMFVDCKNAW-RUZDIDTESA-N 512.997 6.029 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704626 AKDGTRVOTIBNJT-JOCHJYFZSA-N 550.924 6.041 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707499 YBQOXOWOFOPCGP-QHCPKHFHSA-N 530.968 5.142 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712220 SMBSOIPJOGXTNY-HKBQPEDESA-N 555.638 6.206 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715014 SUOOTZMBVLGTHY-JOCHJYFZSA-N 515.913 5.033 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](CC)Cc4cc(OC)ccc43)n2)cc1 1868527501 CKIFNJFEKNBTND-OAQYLSRUSA-N 537.689 7.588 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)\c2ccccc2)cc1 1872751726 CESCPYPTKMTMMH-WBOVGWPMSA-N 500.623 8.395 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)c(C)c1 1872757194 UGUPKFWVVXTBBA-UZYVYHOESA-N 517.876 7.803 50 10 KKGE Fc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1I 1923060406 CHDSEVMLULCBMK-SSDOTTSWSA-N 589.287 7.155 50 10 KKGE Cc1coc(C)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924572544 ZOSJZVZCTIVPHS-QMMMGPOBSA-N 507.867 6.730 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1950881615 HXBFXFHUDKZMCC-LURJTMIESA-N 588.804 7.652 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(I)sn2)c1Br 2024281367 DRKJBUZVXCNVLU-LLVKDONJSA-N 507.416 5.909 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 2038685636 FJXJFUFMGZEWBY-AWEZNQCLSA-N 512.210 7.654 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)c1C 2086138485 BCMRFLAZTCEYCU-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Cl 2139425965 HVZQXRDNCXNPHV-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Cc1cc(C)c([C@@H](Br)Cc2ccccc2I)c(C)c1Br 2143867813 HKGGTVOVYKECSO-AWEZNQCLSA-N 508.035 6.658 50 10 KKGE Cc1csc(CN(C)c2c(CBr)ccc(Br)c2Cl)c1Br 2157018050 COGHEWTVFDSTFZ-UHFFFAOYSA-N 502.497 6.766 50 10 KKGE O=C(c1cc(I)ccc1Br)N(CCBr)Cc1ccsc1 2171085427 OAZWEMRIQFSBCY-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(F)c2Br)c1Br 2201070285 NJYRKAGIELDAMG-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 2202998095 INRWENMDNGAGRT-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206395516 ORNSZSGDMLTAEW-NSHDSACASA-N 720.511 8.746 50 10 KKGE CC1(C)CO[C@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398570 WJYYCFHYRRBMFC-SFYZADRCSA-N 598.793 7.378 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2213772737 HPLQEOKKSSIAJK-LURJTMIESA-N 588.804 7.652 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(F)c1F 2225928788 HNLCYLXQCSUHMA-LLVKDONJSA-N 505.897 5.955 50 10 KKGE COc1ccc([C@H](Br)c2sccc2I)c(Br)c1Cl 2256326159 XNTISGMZAOKLNA-JTQLQIEISA-N 522.427 6.262 50 10 KKGE Clc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2283199923 LXZNMUXOIDAFPY-NSHDSACASA-N 676.060 8.637 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Br)c2Cl)c(Br)c1Cl 2283563876 UVOSQFGLEAOELZ-NSHDSACASA-N 503.843 7.011 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)cc1 2313557265 YPLKZFICUSRILK-UHFFFAOYSA-N 687.319 6.530 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C(=O)Nc4cccc(C)c4C)c3C)sc3c2CCCC3)cc1 2313563397 AXMOXKXJTSMEPT-UHFFFAOYSA-N 562.739 7.758 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630636 PSWJREGKCVDZCK-UHFFFAOYSA-N 508.430 6.930 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592347 RMQVPVRMXHRHKD-XMMPIXPASA-N 572.008 6.741 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593303 KZZZKOQYWKFQQO-DWXRJYCRSA-N 566.510 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314617120 RAAOGLPLDSJKBD-UHFFFAOYSA-N 604.710 7.262 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617152 RSPWZJXRIYQBLU-UHFFFAOYSA-N 542.639 6.163 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 2314643300 OONSWSVZYODAQV-JGCGQSQUSA-N 565.025 6.765 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314754027 ITBGNSFNKXEFAG-UHFFFAOYSA-N 539.588 5.593 50 10 KKGE COCc1ccc([C@@H](Br)c2cc(Br)ccc2I)s1 2315096789 CWRPZROKTJDCOO-ZDUSSCGKSA-N 502.009 5.746 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)nc(O)c2cc1OC 2331044449 KJKHWAIYZKWRSS-UHFFFAOYSA-N 548.393 5.767 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCC(=O)N(CC)CC 2331473689 USJOZHRMESRMMV-UHFFFAOYSA-N 521.639 5.537 50 10 KKGE Cn1cnc(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2337286470 ZKAMCQVLLGYHKJ-MRVPVSSYSA-N 540.250 5.984 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1Cl 2365215316 IWUBVZGIQBTJQK-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2csc(Br)c2Br)c1Br 2365225978 PEJQBFSYYAKXCN-NSHDSACASA-N 568.350 7.443 50 10 KKGE COc1ccc(OCc2cc(I)ccc2Br)c(CBr)c1 2367520508 VHASZHHMLMNDTB-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE Fc1ccccc1[C@H](CI)OCc1cc(I)ccc1Cl 2380345906 GRFKWLADCYXRCE-HNNXBMFYSA-N 516.519 5.777 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(COCC(F)(F)C(F)F)c3)c3ccccc3n2)c(OC)c1 8666448 WSVVVAIRIWTYGE-UHFFFAOYSA-N 585.554 6.109 50 10 KKGE N#CC(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)/C(O)=N/c1cc([N+](=O)[O-])ccc1Cl 34367778 MAJVPOJSBRZNQB-STZFKDTASA-N 506.949 7.600 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c(OC)c1 38688455 NFVHQOGVFYYACX-RUZDIDTESA-N 516.937 5.849 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 40870031 UVHVISRHRXMKSG-BHTICJNMSA-N 521.573 5.220 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 40926661 WJZLCKJHSMQZFX-VCMOGMFVSA-N 514.578 5.699 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)C)cc1 40930019 PRHNRTFIJRJHBU-RCCKNPSSSA-N 502.567 5.184 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(C(=O)c2ccccc2)cc1 96399811 IAMRACAWBZILTH-BWAHOGKJSA-N 518.573 5.527 50 10 KKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100156698 CLGKRDFQTYGOOV-KRWDZBQOSA-N 598.291 6.026 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(-c4ccccc4)cc3Br)cc2)cc1 100174908 QKCNPYCJXNUBLX-UHFFFAOYSA-N 600.513 6.506 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100235702 FQQGKQWWIQWUDN-FVNYZOMQSA-N 620.371 7.426 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1 100336304 GIAQXYAXCWXZQX-JAIQZWGSSA-N 525.830 6.853 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 100452194 OKLTUGLZDIKZHQ-BAAUMNHKSA-N 591.256 5.663 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101314494 UUKYBYQZMFPQJU-FQEVSTJZSA-N 544.432 5.149 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101332724 UAFCBIKHYCSXQY-HYARGMPZSA-N 501.384 5.304 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341042 YVIHSGTZOZPELH-YZSQISJMSA-N 540.645 5.197 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 101374817 HXYLJVUZSSQPOS-NDEPHWFRSA-N 543.576 6.000 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379351 AQWHEYBMTNPTSW-KTBRYMIGSA-N 581.068 7.072 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5)ccc43)c2)cc1 101382152 ALQQAFOUXCHJOQ-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383840 BAKZIQUJPFANOJ-XIFFEERXSA-N 578.640 6.905 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387565 HJBDJIJBVDHWKE-XIFFEERXSA-N 623.492 8.172 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101393074 HXZRNUYMCSABRS-NDEPHWFRSA-N 603.469 7.129 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(I)c1OC(=O)c1ccccc1 102934330 QFYCOMXSAUHYHX-BOPFTXTBSA-N 538.366 6.193 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 103877922 IQRRNFXZPLYZLY-FMFFXOCNSA-N 551.488 7.387 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1 150383003 CKNGKJVAQBFOMB-CHVMBPBASA-N 640.259 5.439 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433781 DKRLJWVCRWXKTG-YTTGMZPUSA-N 720.403 9.226 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481982 FAFJQOMEBFIQOM-XIFFEERXSA-N 643.523 7.973 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 150497456 AZSIMODLGSXNRW-FADJLKOXSA-N 636.708 6.817 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 150572331 CJKSQWOUMBAQAJ-AABVJFSESA-N 658.332 7.335 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 164611645 AEUISDGHDOLZIA-ODNPBWNPSA-N 633.373 8.865 50 10 KKGE N#CCCC[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1 195817773 FMIFWKVKLNOVIB-UHFFFAOYSA-N 968.664 10.678 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)OC(C)(C)C 196118295 BNQGEEYVRPZAHL-AMGHMTOGSA-N 513.880 8.520 50 10 KKGE CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(B(O)O)cc21 196228112 ZHFCXAWQKHMHML-UHFFFAOYSA-N 513.369 7.897 50 10 KKGE C[C@]12CC[C@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 196703793 DUBRZSYNDDSLBA-WRPWMFHMSA-N 729.429 10.741 50 10 KKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 207116382 HONMPIHPEBBYHU-QXTLPIQVSA-N 540.616 5.725 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214285001 VKNDLGDEGINHSA-CEUNXORHSA-N 558.638 5.665 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c(C(=O)O)c1OC 252638482 YDBOXDDDJKCETQ-GOSISDBHSA-N 700.559 5.139 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=C(CCc1ccccc1)CCc1ccccc1 253578156 XZKOIJYQOSLZDA-UHFFFAOYSA-N 532.691 6.815 50 10 KKGE COc1ccc(-c2nc(Nc3ccccn3)sc2CCC(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 254478729 MWSBLTUDDMOOQO-UHFFFAOYSA-N 568.615 6.208 50 10 KKGE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)[C@@]13CC[C@@](C(Br)Br)([C@H]1Br)C3(C)C)C2 256019367 XFMHVMVMOANFLV-CSVDZTNQSA-N 581.187 5.202 50 10 KKGE c1ccc(-c2ccccc2P(c2ccccc2-c2ccccc2)c2cccc3c2Oc2ccccc2C32c3ccccc3Oc3ccccc32)cc1 642813915 FRLFFZSVUIEWGW-UHFFFAOYSA-N 684.775 11.373 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725414748 YWTMCGWGWNDRDJ-UHFFFAOYSA-N 574.556 6.483 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1 1083864688 OESMZONZKPZDTN-SANMLTNESA-N 551.481 6.119 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 1083949342 SQBWFYKMKIZBID-UHFFFAOYSA-N 614.543 8.711 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)c1C 1083962948 KMDWMWNNGVFJSF-UHFFFAOYSA-N 555.022 5.299 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1cccc(I)c1 1083991830 WXEXKRCTLVPTOM-UHFFFAOYSA-N 506.343 5.787 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084089775 LODRUZGSKHHISS-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084113120 DITZSLRLNDZRBW-JOCHJYFZSA-N 662.149 6.903 50 10 KKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 1084261176 IBFGIXJKUUINQE-SXGWCWSVSA-N 584.195 5.623 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccccc2F)cc1 1084263915 VJNDBZJCVFSRBF-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084337181 XGNBPOQYOLMCDT-CAOOACKPSA-N 700.101 7.199 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 1084369096 HROIVUGCHUOJFM-JOCHJYFZSA-N 580.704 6.408 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 1084390034 HVEXSHPCBDOBOA-NRFANRHFSA-N 590.268 5.483 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(C=NNC(=O)c2cc3ccccc3o2)cc1I 1084468716 KWOWNMNPXGCBRL-UHFFFAOYSA-N 600.210 6.014 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084553964 PDWQDFNOBOTLKT-OVCLIPMQSA-N 662.536 8.139 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccc(C)cc2)cc1 1084606749 UETIBKMUFNXRMD-UHFFFAOYSA-N 564.708 5.609 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Br)C1 1614641916 IUWVMNUUFNFRJK-RHSMWYFYSA-N 545.171 5.145 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690104 IUPOPJNKKOXHHF-HSZRJFAPSA-N 502.496 5.997 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865690979 GLHRNVXZSYWBMV-SANMLTNESA-N 527.024 6.598 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865691970 GNVLBULZPIVOOF-DEOSSOPVSA-N 569.475 6.191 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Br)c1OC(C)C 1865696500 GNSANQDFDADSCW-QFIPXVFZSA-N 561.839 5.809 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865696682 IXUZUUSDVCCLLZ-HXUWFJFHSA-N 518.923 5.950 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696815 LECFOKONRBPYNX-YTTGMZPUSA-N 556.666 6.826 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865697378 QVWRLFAJNCDBRJ-AREMUKBSSA-N 571.475 6.707 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865702487 AYIXTWQWYSLEMR-SANMLTNESA-N 527.024 6.267 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703679 YWRYHQIXAMEKSM-WJOKGBTCSA-N 554.650 6.713 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704931 IKDBQLUQIAQSIK-MHZLTWQESA-N 544.998 6.630 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccccc1[N+](=O)[O-] 1865709554 CNHPXFBEXRAEFI-NRFANRHFSA-N 514.339 5.428 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867206405 JRNCBGOWOIOLTK-FIRIVFDPSA-N 584.141 7.200 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868434223 YJHWNZRSUPKFOG-CJAUYULYSA-N 532.044 7.219 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(=O)c4cc(C(C)(C)C)ccc43)n2)c1 1868505616 KFBDAPDHHHUPLG-UHFFFAOYSA-N 535.673 7.491 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872746400 GJXRQJCPZXVELF-PLRMCZRGSA-N 515.432 7.658 50 10 KKGE C[C@@](CCl)(CI)OCc1cc(I)ccc1Br 1902314615 IBWNJEVOBBRONT-LLVKDONJSA-N 529.381 5.003 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915297587 IXYYAMNSBHCWBT-SFHVURJKSA-N 565.087 6.116 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Cl)c2sc(Br)cc2Br)c1 1922879827 DNKKDZRMQUDYGV-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 1922884775 NKPDIFOUHDAASW-QGZVFWFLSA-N 531.107 7.645 50 10 KKGE Fc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924568539 ICHOZAIQGGGBRJ-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Cl[C@@H](c1cc2cscc2s1)c1c(Br)sc(Br)c1Br 1924609218 UFJSODKLNNLFEO-VIFPVBQESA-N 507.519 7.640 50 10 KKGE COc1sc([C@@H](Br)c2scc(Br)c2Br)cc1Br 1946737904 KCBINWSNLYFJAR-MRVPVSSYSA-N 525.907 6.590 50 10 KKGE CC(C)(CCl)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995283833 ACVZPJJAMUSNAP-UHFFFAOYSA-N 506.609 5.714 50 10 KKGE Cc1cc(C(=O)C(C#N)=C2C(=O)Nc3c(Cl)cc(Cl)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 2053622752 NKMMEDFSCBBDBN-UHFFFAOYSA-N 504.295 6.532 50 10 KKGE Brc1cccc2c([C@H](Br)c3cc(I)sn3)csc12 2056486867 FYGOCNGMKUITJO-NSHDSACASA-N 515.033 6.209 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2CCC[C@H]21 2085494391 LOLAZLZTNOBEOX-INIFJCPBSA-N 522.300 7.063 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CCOC2)c1Br 2085495546 RJTYODXBSCQGCH-BQBZGAKWSA-N 570.739 6.599 50 10 KKGE Cc1nc2c(cc1Br)nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2096813892 NQLRVQUSIKLYMZ-UHFFFAOYSA-N 525.878 5.712 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)cc1Br 2111927288 WNBUPQQYGWHPTC-NSHDSACASA-N 515.869 5.809 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2141468510 KPIRVUKAYBRGMM-SNVBAGLBSA-N 601.156 6.561 50 10 KKGE FC1CCC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141474201 YGLQXFHKKXJWPI-OGIFLDNPSA-N 586.757 7.701 50 10 KKGE COc1csc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2141477601 SEGXBECKLJOELU-LBPRGKRZSA-N 554.323 7.135 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206393684 AEEZFRGCGCUMMP-NSHDSACASA-N 676.060 8.637 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206393948 CWVJBUNXTOMUPS-LBPRGKRZSA-N 675.698 8.662 50 10 KKGE Fc1cc(F)c(F)c([C@@H](Br)c2ccc(Br)cc2I)c1F 2207275578 MVZRNNGIOHRBSY-NSHDSACASA-N 523.887 6.094 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1Cl 2232508437 FKWKCDKLDQDUFS-NSHDSACASA-N 587.158 8.419 50 10 KKGE Cc1cccc(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512287 NBJCJGRVYHEOLZ-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(C)c(I)c2)cc1Br 2232837960 ZKAZYNKFYBIEFA-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2272725568 CRWHVCJJBKQDEA-SECBINFHSA-N 515.826 7.295 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272838985 CLIDBEKDIAEXRW-VIFPVBQESA-N 539.859 7.107 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)cc(C)c(F)c2C)c1 2279139185 IUDQARYYZREWLP-OAHLLOKOSA-N 511.998 6.602 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)=Cc1ccccc1 2293202013 MFBLGMBEFMASBY-UHFFFAOYSA-N 522.461 6.539 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 2295360299 XZEGEWAYKWMLDX-UHFFFAOYSA-N 507.808 7.104 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3cccc(Br)c3)ccc2O)cc1 2295489489 RIWIDXKYNMHBLQ-UHFFFAOYSA-N 611.500 6.557 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 2313568871 ZVPITEZNYYWUKO-UHFFFAOYSA-N 538.604 5.167 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646909 UIADCKSTNXOYLI-AREMUKBSSA-N 595.080 5.109 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 2314720084 DJQQKYCOJMWPGV-RPWUZVMVSA-N 541.239 6.564 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2365598090 NPMGCTDWJLPMHL-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE C[C@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C2)O1 2368517387 XXPNUPZPRYPAFX-CCBCZWRWSA-N 596.777 7.130 50 10 KKGE Cc1ccccc1N1C(=O)[C@@H](Cc2cccc(Cl)c2Cl)S/C1=C(\C#N)C(=O)Nc1ccccc1 12273801 VFLGSBRRTHXTHJ-IYWQOLOASA-N 508.430 6.367 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(OCc4ccccc4)c3)cc2)cc1 12491794 KPVJSVBMJXTNTB-QNKGDIEWSA-N 505.618 6.579 50 10 KKGE COc1ccc(/C=C2\CN(c3ccc(/C=N/NC(=O)c4cccnc4)cc3)N=C2c2ccc(OC)cc2)cc1 15773736 IMFRQVWDTXCNRL-FAQGJBLUSA-N 517.589 5.171 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 38681934 WBRBPEBMKBHANF-GDLZYMKVSA-N 512.606 6.400 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)c(C)c2cc1Cl 40530270 QEFOARPNANXUSD-MHZLTWQESA-N 527.020 7.438 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 40926686 ILLPCOVKDUYEPZ-PFPWIQQFSA-N 511.361 5.827 50 10 KKGE O=C(N/N=C/c1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 100040473 FZWJFWNHMFHZHW-USKKBRKXSA-N 550.662 6.251 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 100154572 ASJBRBBDEWYVGW-HXUWFJFHSA-N 507.656 5.292 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 100237017 UQPZLMAIJICDAR-DXTDMJPYSA-N 579.908 6.987 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1[N+](=O)[O-] 101135209 RJKADUHSKPFNTL-UHFFFAOYSA-N 527.968 5.729 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101295963 APGPDQNMEPNIGI-DEOSSOPVSA-N 549.435 7.210 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC 101339362 HBDNVGWEDOAUMK-BUVRLJJBSA-N 556.590 5.265 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 101340722 FNNBEIJUNYRZHA-MTDXEUNCSA-N 577.084 7.082 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCC)c(OC)c2)c1 101367800 OUWMEUMVJOYCRP-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 101370252 XNLGJVOFWZBMOM-ZOYLIWTNSA-N 529.434 6.584 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 101373098 NKTLARDZEKAERX-NDEPHWFRSA-N 533.024 6.338 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101375707 QPCHNAXXKSHVHQ-AREMUKBSSA-N 525.388 5.985 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389436 KMICFMMLLJATAX-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101394709 DJWVQKTWZBWLLW-HHHXNRCGSA-N 528.992 6.929 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101395124 XCNGWDBSTZMLKO-JOCHJYFZSA-N 551.407 6.432 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1 101396587 DNXNGALPQVSRCJ-GDLZYMKVSA-N 536.628 7.364 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)oc2c1 101398707 AMAYVRHJMOSMBQ-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101398740 QABUVFTXQXMMEA-NDEPHWFRSA-N 583.040 7.710 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 101479300 RWBPQKJJGAULDD-UHFFFAOYSA-N 543.669 6.943 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601992 PLAITTPTHAEIDQ-INKHBPHZSA-N 571.033 6.463 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 101727570 MBTZBXMPFHYJQZ-IURWMYGYSA-N 606.984 7.990 50 10 KKGE CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102924051 MICXGNIFUVDFEV-NTCAYCPXSA-N 522.380 5.832 50 10 KKGE Cc1cc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)n1-c1cccc(C(F)(F)F)c1 102941373 MAGWNWAZWGDTMH-UYRXBGFRSA-N 539.351 7.925 50 10 KKGE C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1 102977443 KLJJZMYZDYSQIV-APTWKGOFSA-N 542.592 5.266 50 10 KKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 103649477 AFZKTUJJBQYSNN-ODLFYWEKSA-N 564.029 7.529 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 103877948 ABSILHKTSYVJJP-UVHMKAGCSA-N 589.227 6.451 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1cc(Br)c(O)c(Br)c1 104768603 QLIDOEPCDQYRGN-ZVBGSRNCSA-N 574.276 5.458 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105065033 MXUUNYYUXMDNDJ-XODNFHPESA-N 524.364 5.739 50 10 KKGE O=C(CCCCC(=O)N/N=C(/c1ccccc1)[C@@H](O)c1ccccc1)N/N=C(/c1ccccc1)[C@@H](O)c1ccccc1 105436243 CVLMRNMQWDMXSO-WAFLSVLVSA-N 562.670 5.055 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2-c1ccc(Br)cc1Br 116735715 WJFVYTRLZJMLQN-UHFFFAOYSA-N 544.387 6.033 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)c(Br)s2)sc1Br 128883843 IIZSUSQHLGMPDG-SSDOTTSWSA-N 530.326 7.235 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C(C)C)cc1Br 150389089 KKPCWJJRIIBWPG-UHFFFAOYSA-N 639.616 6.145 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)CCCC(=O)OCCCc1ccccc1 150400223 GKBHEGLGTIIRLJ-UHFFFAOYSA-N 665.404 5.112 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 150441684 XEYAPNLNQIAYGL-LUWBXXKHSA-N 639.148 8.032 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150464062 CCJLPHKCSANYKR-LEWMOKLLSA-N 646.725 5.029 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 150482023 NMBMSWVGBYUAIB-MHZLTWQESA-N 633.940 8.878 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2I)cc1 150619178 RKMVSYAOYMWHNZ-IUXPMGMMSA-N 699.670 6.891 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 199762885 FAGFLKDXAVYVFV-IONQDRQYSA-N 672.973 7.366 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 214369583 MSTCXFCXWLKIJA-YQYKVWLJSA-N 616.718 6.489 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214428074 IHKVVZBJZFRBNF-DXJNIWACSA-N 604.638 5.803 50 10 KKGE CC(=NNC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 252633339 WCUSITVGFAGDGD-UHFFFAOYSA-N 629.855 5.328 50 10 KKGE C[Si](C)(O[Si](C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 253577525 XDUZTKGGJNSUNY-UHFFFAOYSA-N 593.659 7.039 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 254294765 MPDKHALSFOYRHK-UHFFFAOYSA-N 530.411 6.191 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2OC)cc1 254441777 NGWOCQJQIKYPLW-UHFFFAOYSA-N 532.637 6.054 50 10 KKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nc3ccccc32)cc1 254712004 WHDNIJHJYDPCRH-UHFFFAOYSA-N 520.658 6.214 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(F)ccc2Br)C1 382698599 ZLFKWALMTDKAFC-RHSMWYFYSA-N 518.164 5.375 50 10 KKGE O=C1Cc2cc([C@@H](Cl)c3cc(Br)sc3Br)c(Br)cc2N1 394432876 VSTFRROVMAKYHK-GFCCVEGCSA-N 500.437 5.858 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CC[C@@H]4NC(=O)C[C@H](Cl)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 504672148 MKZGQDFQXQLWNU-XMSHPWTLSA-N 564.998 7.017 50 10 KKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721588803 PTWHLLZVPKQSPS-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(Cl)cc1 1083862079 GGHFTKNSNWYRFW-UHFFFAOYSA-N 541.991 5.974 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 1083915618 NPHGOLZTNQDBDQ-UHFFFAOYSA-N 556.844 6.070 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC 1083992517 BCRCOTBCOLFPSO-UHFFFAOYSA-N 602.757 5.112 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1 1084020647 JOVLHPAFIMVLOP-UHFFFAOYSA-N 560.745 5.778 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 1084047345 MDOACVBLMPBQBV-UHFFFAOYSA-N 579.078 5.030 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084178789 RWIVBRKJHLYZEQ-UHFFFAOYSA-N 523.416 7.210 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084216079 KTKXHPYMVWWYIV-LJQANCHMSA-N 690.995 6.446 50 10 KKGE Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Cl)cc1Cl 1084238666 JHMGUSNBROEOJD-GZTJUZNOSA-N 529.254 8.157 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 1084270265 NRBXCXLGFXCICQ-UHFFFAOYSA-N 663.594 5.159 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 1084588427 AEUISDGHDOLZIA-UHFFFAOYSA-N 633.373 8.865 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)COc3ccc(C4CCCCC4)cc3)cc2)cc1 1084609347 NPEXGXNKUUADLH-UHFFFAOYSA-N 506.624 5.340 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084657454 CGMWERZWKYMQHC-MHWRWJLKSA-N 583.640 7.376 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NN=C(c1ccc(Cl)cc1)c1ccc(OS(C)(=O)=O)cc1 1088731799 SCBKOGSLWDPVPM-IEBWSBKVSA-N 515.846 5.138 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(=O)OCC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773616 JYUVYDXFZCBMDX-HABBSKFCSA-N 661.129 10.545 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745948 NRDSOQBAPVHBNQ-UHFFFAOYSA-N 507.377 6.166 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746302 DJCPZJVUMOARIO-UHFFFAOYSA-N 581.794 6.502 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749207 IZIVCXPCTFUBSK-UHFFFAOYSA-N 500.382 5.691 50 10 KKGE CC(C)(C)[Si](OCCCC(=O)C[C@@H](O)[C@@H](Cl)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1 1857788725 GJLOKZLMZDMLCD-AJQTZOPKSA-N 567.242 6.268 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686274 TXDHYRLOTKBDQH-GDLZYMKVSA-N 512.613 7.043 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865692224 DBNZZOOQFFRPMM-NRFANRHFSA-N 506.484 5.670 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700976 ISGFWSZRQIGRIB-MUUNZHRXSA-N 559.497 7.215 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1 1865703108 NARFXLQLZKZAHX-HSZRJFAPSA-N 502.496 5.997 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1 1865704257 RHUWBHPZMJAISY-VWLOTQADSA-N 563.441 6.208 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714766 PUWFMLUMWNHZRW-HSZRJFAPSA-N 531.385 5.727 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)c2ccccc2)cc1 1867061404 KTCYHDLVXABDMR-NDEPHWFRSA-N 502.599 6.518 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)c2ccccc2)cc1 1867178423 SUEFZZMAGAVRIF-AREMUKBSSA-N 508.607 5.167 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccccc4)C3)n2)cc1 1868527828 ILYCVZQJIRPVJU-AREMUKBSSA-N 509.635 6.437 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(-c3cccnc3)n2)cc1 1868565455 KBLVFBWHGRZOMF-QHCPKHFHSA-N 501.015 6.087 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccccc2I)n1 1872751606 PHSHAXHKWWSBBF-FXBPSFAMSA-N 516.404 6.671 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752905 YNQXQKILBLBVMB-FANVKROQSA-N 514.990 7.277 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccccc4C3=O)n2)c(OC)cc1Cl 1872754974 SASWPVHGXTYJAD-JZJYNLBNSA-N 509.971 5.350 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1Cl 1872756025 APNNSHIBXCHATN-IPNUBFQTSA-N 501.007 7.514 50 10 KKGE CCc1nn(C)c([C@H](Br)c2cc(Br)ccc2Br)c1Br 1877184414 RSDPJWZYIHWIAL-LLVKDONJSA-N 515.869 5.754 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1Br 1916383619 MQIVNDAAFPZERQ-HNNXBMFYSA-N 520.059 5.264 50 10 KKGE Clc1cc([C@@H](Cl)c2sc(Br)cc2Br)ccc1I 1922945963 MEXLGCHLICEFMF-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)cs2)c1Br 1981401559 KYJYDJRYGPHVOO-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE FC12CCC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CC1)C2 2039756311 SHNXPFZZBBGJJI-RKWZHAFESA-N 525.901 7.144 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cc(Br)c(Br)s1 2138252777 PJEKZMOBDOVOGE-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141469808 XBKSWKXOYJXRLY-LLVKDONJSA-N 617.220 8.197 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(C)c2)cc1Br 2142139951 CWLAPZIOKJLJMO-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)Cc1ccccc1I 2143867674 FVTUDPHRWDVJIH-CQSZACIVSA-N 510.007 6.131 50 10 KKGE CCCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(I)cc1I 2175003478 CPZSUHFPZOTFNQ-TVYUQYBPSA-N 632.445 5.444 50 10 KKGE FC1(F)[C@@H]2COC[C@]21[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395528 OWCWBJOJXZJOBX-LIEZGIJOSA-N 604.703 6.454 50 10 KKGE COc1c(C)cc([C@@H](Br)c2ccc(Br)cc2I)cc1C 2207273994 YMMRCSILUMLMBU-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2sccc2Br)c(Cl)c1Cl 2217617913 KSNIRGKOPOORFB-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)ccc1Br 2225615353 GPIBCLVAXREIMD-CYBMUJFWSA-N 580.709 7.360 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225634469 PHXORQJRPFVBLA-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccccc2I)c1 2263518347 CMHHKWDZXHQFKU-ZDUSSCGKSA-N 544.850 6.495 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCCC[C@H]2CC3)c1Br 2288987777 BZTVKUOJFYCLLG-QXRSLXQMSA-N 594.805 8.143 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC(Cl)=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293724497 NFVRYZAUBLQTEO-UHFFFAOYSA-N 544.124 7.014 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 2293972454 VPHUIUSYIJSCBI-UHFFFAOYSA-N 588.708 6.191 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C(=O)OC)c1C 2296790135 QVXAVEDDJOTMAT-UHFFFAOYSA-N 529.643 6.787 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1Br 2313540824 WQCCZPSTCVHSLA-UHFFFAOYSA-N 560.217 6.484 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 2313556225 RONCYIPTTZAPJH-UHFFFAOYSA-N 509.562 5.110 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567399 JTJQYQWJUQJKKY-UHFFFAOYSA-N 700.318 5.602 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(C)cc1 2313568648 XMJFPVLDAWFPLB-UHFFFAOYSA-N 607.492 5.833 50 10 KKGE CCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)cc2)cc1Cl 2314432978 INSHBHSINCYPDL-UHFFFAOYSA-N 600.078 7.883 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314616645 GHWSTDLZDYSWQS-UHFFFAOYSA-N 620.709 7.228 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314618122 HONODNCDNSUNJF-SANMLTNESA-N 625.128 8.125 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643471 ZVWIKMHTXPCQIH-JGCGQSQUSA-N 633.915 8.071 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ncsc2Br)c1Br 2315457204 ALBZEWPPSMFJCM-SSDOTTSWSA-N 543.275 6.707 50 10 KKGE N#CC(=Cc1ccc(Br)cc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329656735 CDCWMQAJJKBOJP-AREMUKBSSA-N 561.432 5.108 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c2ccccc12 2331405132 URTBHKFMYDTABE-UHFFFAOYSA-N 509.587 6.316 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c(OC)c1OC 2331492638 BWNICFPPNYVMCZ-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE Fc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1F 2336074746 JMGXZWCNNKPODJ-IBGZPJMESA-N 502.580 7.444 50 10 KKGE CCc1nc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2365181609 WWLPWXKGCBEHAB-SNVBAGLBSA-N 550.911 6.925 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1Cl 2365595497 KMXNIABRRISAFV-AWEZNQCLSA-N 548.871 7.462 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2395668 AUJHMJDFNSLZOC-FDWYHIAWSA-N 535.691 6.905 50 10 KKGE O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@H]23)c1 6445785 JASJDTCBMZNUBV-VZQSUIEHSA-N 549.958 7.560 50 10 KKGE Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@@H]4CC=C[C@H]34)cc2)c(Br)c1 8685318 FPVBOIBRAJSZDR-UBUVOWHGSA-N 504.222 5.781 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCOCC3)cc2)cc1 33383232 NRGACVNLFNEAGN-LGUFXXKBSA-N 504.590 5.193 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1c(Cl)cccc1Cl 35396356 PYYOEOUBXJXCCF-DHDCSXOGSA-N 514.321 5.740 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651544 RXCMDGWHNHNIKA-PUAOIOHZSA-N 519.395 5.603 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(F)cc1 38686901 CMFOITMONCKZSW-MHZLTWQESA-N 512.493 5.444 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 39858519 CXYLYGDLQBQIPG-MNDPQUGUSA-N 512.997 6.292 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 40530400 GLXHGZNTLANOGQ-SANMLTNESA-N 514.965 6.621 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OCCCC)cc3)cs2)cc1OC 40927075 HIGIAGFJTISSHS-HKOYGPOVSA-N 533.694 7.502 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 58895582 MAMXJGHNPCEBQG-OXOGFPMKSA-N 525.443 5.699 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59146371 WIXNPYGNSHMUOF-MCFOUTEJSA-N 518.400 5.981 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100190712 YAWHEWDXKYTXPS-UHFFFAOYSA-N 554.919 5.691 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240873 YZPUUPUYWDXCRP-OKBUYZRPSA-N 536.484 6.298 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243035 PWQMRHXURQBUGJ-LPWXCMAHSA-N 550.511 6.859 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 101372417 WLCQEWDEQBCUEF-WJOKGBTCSA-N 542.632 6.029 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101375456 AXORMKZYUQEWEI-BGOLNKOXSA-N 574.649 6.775 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381254 NZFNCBXTLZQEJX-YVGXBJCXSA-N 605.449 7.303 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381463 MLJJVNNNIGASEH-NDEPHWFRSA-N 553.412 6.465 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386334 ZVVXGVRWTHWCTN-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 101388201 NYMDPUXIUYDPCZ-PMERELPUSA-N 598.011 6.663 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)oc2ccc(Br)cc12 101391982 ATUVBKVFFJPGIM-HSZRJFAPSA-N 570.226 7.248 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccccc12 101397654 WRQZXEDYITUWLV-PMERELPUSA-N 563.009 7.411 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 101405964 RILAZBOXHAPJSQ-LZAZYHHXSA-N 583.449 5.179 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101603038 WQUOMTZYGZSOHT-GZZLJNBRSA-N 568.427 6.742 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613357 CYHMUVWKNZFZDZ-CDSHQWRTSA-N 532.644 5.688 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccccc1 101697568 XPPDLXVCXAJECR-LICLKQGHSA-N 591.097 7.099 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 101766477 IGIKDJHDJPUPLO-BHGWPJFGSA-N 528.241 5.271 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665965 CFQGPYXFJOZPIB-SLSCBCEPSA-N 534.435 5.523 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 102849721 QWQSCRKGKJJEEN-ZZEZOPTASA-N 508.578 5.729 50 10 KKGE COc1cc(/C(C)=N/NC(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)ccc1OCc1ccc(Cl)cc1 103562731 NCPYVFLSFRDOAQ-FADJLKOXSA-N 572.061 6.408 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc2ccccc12 103700843 OKTYEHNZRQCOEU-KBVAKVRCSA-N 543.417 7.090 50 10 KKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc(Br)ccc1O 103739698 PZFOSKPTWMCZHG-QCWLDUFUSA-N 526.390 5.425 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1 103806387 XVPGQAIYAFEZNX-WCMJOSRZSA-N 601.641 6.520 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 104768908 IMWDWLCYDYJUPB-KCSSXMTESA-N 599.514 5.913 50 10 KKGE FC(F)(F)C(F)(F)CC[C@@H](CCCCCCCCCBr)S[C@H](CCCCCCCCCBr)CCC(F)(F)C(F)(F)F 159686778 WQHQFCSCTUPZTN-DNQXCXABSA-N 764.531 13.444 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 164641434 RSHGLTONQWVMCY-VPUKRXIYSA-N 627.116 7.616 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Br)cc2)/C(=C\c2ccc(Br)cc2)C1 169392595 QQSDYDQAVZTFIJ-IXMGXUHHSA-N 513.233 5.302 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OCC)cc1 206414425 VLXHZKZVLUQQQR-PGMHBOJBSA-N 504.608 6.325 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214306028 DACJDACATLWIPG-PKAZHMFMSA-N 524.621 5.264 50 10 KKGE CC(C)(C)[Si](OCCCCCCCCC/C=C(\F)C(=O)N[C@H]1C[C@H]1NC(=O)/C(F)=C\CCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1 217644387 YCNBWNBYXDAZRZ-XWZPWCNBSA-N 977.483 12.461 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 234795681 QETUTESAFNUZIG-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 234795804 MDSKNSLMWBBFFG-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)c2cc(C)ccc2C)cc1 254710536 MEQNJMSPHLAHHZ-UHFFFAOYSA-N 511.647 5.209 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)C(C)(C)C)c3)c3cccc(Cl)c3n2)cc1 254765106 IHXDLFQNGVUNAN-UHFFFAOYSA-N 527.068 7.256 50 10 KKGE ClCc1nc2cc(Br)ccc2n1-c1cc(Br)ccc1I 312377452 JFXDICQTUOMODS-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 380333867 SJUOCHXBHOUFCR-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE CCO/C(=C/C=C/C(=N/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(OC)cc1 585660830 QODGRWQNLKCVSK-JKMFOIRRSA-N 568.677 8.027 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CN(CCO[Si](C)(C)C(C)(C)C)c3ccccc3N2)cc1 616682549 CTHZISXACYLFMR-HHHXNRCGSA-N 526.914 8.246 50 10 KKGE Clc1sc([C@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721595692 XNOVPIMSCMWWGY-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE COC(=O)C12CC3C[C@@H](C1)C(NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)[C@@H](C3)C2 725237824 NKENXLRVBKCJRK-LXUMHCFCSA-N 569.045 5.564 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1083917535 HWXZSLZSDPVNKQ-XMMPIXPASA-N 580.306 6.698 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(OCc2ccccc2)cc1 1083989180 LYKZSQSIJQUGSG-UHFFFAOYSA-N 562.699 6.051 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4cccc(Br)c4)c3C)cc2)S(C)(=O)=O)cc1C 1083996523 KGCNWMHHSWXYAP-UHFFFAOYSA-N 607.574 6.204 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084096056 BMINPXAPEZDIST-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE CC(=NNC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084116825 PMEFDRGPHYAZKG-RLPNJSHFSA-N 547.080 6.848 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 1084117736 GWAHCULMZMMFHM-RUZDIDTESA-N 555.469 5.789 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084122030 KJBHISQDWTXKMF-UHFFFAOYSA-N 528.270 6.485 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 1084190370 MEVGPVWCOUDYMO-UHFFFAOYSA-N 558.863 7.893 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084216952 LQXTXWMPULHTDP-UHFFFAOYSA-N 590.749 6.870 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1Br 1084275506 AYSXMDJUOYFGHZ-UHFFFAOYSA-N 565.427 7.246 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Br)cc1 1084283310 MJIPLCPQPPLIQP-CXUHLZMHSA-N 658.117 7.494 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1C#N 1084478521 LPDORACNWGVXNG-BUVRLJJBSA-N 512.997 5.055 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084491057 IPFTZOHYRSKSSB-UHFFFAOYSA-N 603.144 6.253 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1Cc1ccc(F)cc1 1084519903 XHFMCWBDOIIYSL-UHFFFAOYSA-N 694.217 6.694 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(F)cc1 1084530860 KKKXYBUPSDVXBV-UHFFFAOYSA-N 612.499 7.706 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 1084572937 XJGRWEDJESPXDO-YBFXNURJSA-N 542.348 5.872 50 10 KKGE COc1cccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)c1 1084586354 YJAXLZOUGDZPNR-UHFFFAOYSA-N 513.686 6.425 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084614609 LYGHPFXUWYQNEB-DEOSSOPVSA-N 501.410 5.935 50 10 KKGE O=C(NN=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 1084638553 RAUAZHHDCLXNME-ZDUSSCGKSA-N 568.156 6.231 50 10 KKGE O=C(CSc1cccc2ccccc12)NN=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 1565518798 FMBWLNZDBHFRFT-UHFFFAOYSA-N 523.427 6.563 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc(C)c1Cl 1772747086 CWAMSTNSGPJFOI-UHFFFAOYSA-N 530.364 6.109 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434924 MEIKKMCUTRNHMT-XHOAMZAVSA-N 679.405 5.437 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 1860823244 ZRUBSRQZTJNZTN-JDNARBIRSA-N 502.785 5.481 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865687425 QVQNOKLDRVHOPZ-VWLOTQADSA-N 548.565 6.840 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865693766 YOCDSPZUSCQHDM-HSZRJFAPSA-N 551.485 6.518 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695018 HXQVLPAPCLADEA-RUZDIDTESA-N 527.452 6.342 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696159 XTOQEUYSHNEKCW-AREMUKBSSA-N 507.594 5.730 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701559 YFDIQSVMICAWBO-SANMLTNESA-N 561.469 7.073 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702172 OTAIOWJOCLODMB-IBGZPJMESA-N 522.358 6.262 50 10 KKGE O=C(Nc1nnc(CCl)s1)[C@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865903178 CETFSTXRZSZGNX-VIFPVBQESA-N 930.469 5.541 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CCO2)cc1 1868413844 DCDSWFRNMMOQRU-AREMUKBSSA-N 528.081 7.254 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccnc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432990 DIASCIPCRRLECX-QHCPKHFHSA-N 501.015 6.087 50 10 KKGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872749244 IEIZKCCRWMRXAE-AQTBWJFISA-N 515.334 5.504 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)cc1Cl 1872757489 ISZHTMTWUMPURE-HZUFQKOGSA-N 501.007 7.557 50 10 KKGE CN(C[C@H]1C[C@H](Br)C1)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887892299 FJKOPEPHGTYFNQ-LGPLSSKUSA-N 509.488 5.950 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)ccc1I 1923067004 XNJFEASOWGQZFH-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE FC(F)(F)c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923074821 RZBWVRUIAJUAOP-MRVPVSSYSA-N 513.398 7.430 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1)c1c(Br)sc(Br)c1Br 1924602584 ZFNMPOCMHBGQJV-INIZCTEOSA-N 551.525 7.943 50 10 KKGE CC(C)(C(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924611649 DHWWDILHDDKSRA-RXMQYKEDSA-N 505.842 6.763 50 10 KKGE CC[C@@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995046982 CETYFRBJTAJTLR-MLUIRONXSA-N 542.729 7.219 50 10 KKGE Cc1nc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Br)s1 2003569028 MHIZVAVQBNSTKL-ZCFIWIBFSA-N 524.923 6.593 50 10 KKGE CC(C)(F)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784806 ZUFADTWQTIHIAN-ZETCQYMHSA-N 560.719 7.311 50 10 KKGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)CCCCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 2054724664 MLRLOIWXHCPWFF-QVXXBSHFSA-N 751.431 5.637 50 10 KKGE Fc1cc2c(cc1I)nc(CCl)n2[C@@H]1CCOC[C@@H]1OCc1ccccc1 2146519413 GRIMLJFSECLXCN-MJGOQNOKSA-N 500.739 5.066 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)cccc2Br)c(Cl)c(Cl)c1Cl 2150497257 ZLRMFHBDHQYBNR-SNVBAGLBSA-N 542.707 8.310 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(Br)c(Cl)s1 2172569448 MYHSRNVCWSCHGP-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@@H](Br)c3c(Br)sc(Br)c3Br)CC1C2 2193090346 FADRLCMBGHYSFV-DTQPGTOQSA-N 563.853 6.582 50 10 KKGE COc1cc(F)c(F)cc1[C@@H](Br)c1ccc(Br)cc1I 2207262426 QXABWKSBBLEPRB-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(I)sn1 2215853436 GIASQPCIVPQQAE-QMMMGPOBSA-N 507.416 5.842 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)s1 2224797040 SPZZJSJTAMGBKY-SNVBAGLBSA-N 509.510 6.962 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Br)c(Br)s1 2247986862 AUUGUXCXWDDHKO-JTQLQIEISA-N 554.842 6.501 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(Br)c1Cl 2283586412 YRUMTAPYUNNSKO-GFCCVEGCSA-N 550.843 6.853 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1scc(Br)c1Cl 2285070126 OEVOYOZNYKAIIS-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 2293198174 DAWKPGXEJQNHOX-XMMPIXPASA-N 532.463 6.131 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293198270 OWPOGTADXYYOTO-NRFANRHFSA-N 577.287 6.092 50 10 KKGE CCc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 2295945948 ZPIJJBDUBDGOHB-GDLZYMKVSA-N 608.163 7.796 50 10 KKGE Cn1nc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2299535773 SHRZPUYHIVIKDF-HNNXBMFYSA-N 516.031 5.403 50 10 KKGE F[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2307191670 XVFVYZZUIQYFDV-QWMRMABFSA-N 514.252 6.765 50 10 KKGE Cc1cc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)c(C)c3C)o2)ccc1Br 2313549476 XIMOEAXJHTWOCU-UHFFFAOYSA-N 514.217 6.943 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Br)cc1 2313568426 VZRLXIHFAAKFDT-UHFFFAOYSA-N 672.361 6.287 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 2313730280 LSFQFYAKCDRJDD-UHFFFAOYSA-N 501.797 7.089 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 2314487139 HCJNMDGALLGRKF-UHFFFAOYSA-N 505.603 5.906 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 2314571535 GUGRARDDCCCKRP-INIZCTEOSA-N 519.579 6.072 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592108 MAKZUSJYVHPAAC-AREMUKBSSA-N 532.065 6.537 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593704 RNMOJDJYYDFYBX-VWLOTQADSA-N 536.484 6.353 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634029 CYIPHWDEYNTGEU-AREMUKBSSA-N 507.373 6.229 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644594 BYACKOIRJGIHFK-MGBGTMOVSA-N 647.942 8.461 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)nc2c1 2331046495 HZUXJYYCIKMRQN-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 2331366354 RPAZVMJZEVYMJS-HSZRJFAPSA-N 517.676 6.254 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccccc1C 2331416845 QPQCVSWFWOHBAP-UHFFFAOYSA-N 506.671 8.039 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)cc1OC 2331467389 KWDNKSAWKQBVLO-UHFFFAOYSA-N 513.457 7.060 50 10 KKGE Fc1ccc(Oc2cc(Br)cc(I)c2)c(CBr)c1Cl 2338884705 IHJGGZXJUHQUEK-UHFFFAOYSA-N 520.361 6.533 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2362237869 TUZYPOPVOGLCFS-NSHDSACASA-N 615.154 8.013 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccccc4)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 15773746 COHTUFDWCJVAPO-IMASQNRCSA-N 504.590 5.823 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1 15986015 AEZPWELMVVEUDC-UHFFFAOYSA-N 501.583 5.361 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1F 33876417 MQMJFRCZAQZPTN-YZSQISJMSA-N 515.610 6.504 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38701174 ZEDVPDDBPBZJPN-QHCPKHFHSA-N 502.979 6.391 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccccc1 100883499 WKFNFKGUQISKSV-DIBXZPPDSA-N 528.587 6.481 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 100883587 MRQFUPVVUAOLSD-FSGOGVSDSA-N 552.055 7.110 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1Br 100920014 JGCFIVUUIPOCQY-QGOAFFKASA-N 524.378 5.611 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)c1 101375123 KZOFSTODSTVYRK-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379995 ZPJASYSWYRAGBV-JGCGQSQUSA-N 567.041 6.684 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1Cl 101388227 FGDCMWIHKOFVJB-MGBGTMOVSA-N 611.094 7.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388499 STPVUVPZOHBEOH-SSEXGKCCSA-N 598.011 6.663 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101388780 IAPWZNNNOMDCRL-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 101388802 QDPUEXPYVYWIAE-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)oc2ccc(F)cc12 101394116 RUTWJBYSOXPIHB-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCC(C)C 101395482 QBBFZUAMGDVEBF-VWLOTQADSA-N 595.504 7.689 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 101397173 GJWODZAVBJBHIA-PMERELPUSA-N 550.611 6.580 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)sc2c1 101397527 IIDVBHCPAQIMLN-LJAQVGFWSA-N 613.522 8.533 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101398606 JAPITKCQGKKTCY-MUUNZHRXSA-N 617.485 8.364 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Br)cc5)c(C)c43)coc2c1 101620315 XYHRHZXHQLZJLW-NJZRLIGZSA-N 548.437 6.365 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1 101680514 PBVSIJTXMIFVGR-VPMSBXQOSA-N 574.633 6.125 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 102833124 DPJRQHSBYIBGKR-WQRHYEAKSA-N 540.345 6.020 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 102933182 PCKBAJBXMUTFIM-PXNMLYILSA-N 532.767 6.688 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)OCC 103878974 SMWIZPPVXKIYMJ-KEIPNQJHSA-N 551.643 5.896 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(I)cc1 109835974 LYVSCBZBQRFUAJ-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1 150422139 IKZGEFZYCKTBSL-UHFFFAOYSA-N 635.378 5.110 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433164 PULQRSDOPCHMST-JGCGQSQUSA-N 662.482 7.082 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150463312 UQNJPQYQIXGALM-SSEXGKCCSA-N 637.903 7.680 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 150463526 UOANGYSVNZYSSO-WJOKGBTCSA-N 647.909 6.893 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485385 VDRQCSAVHSAGGD-YTTGMZPUSA-N 631.512 7.806 50 10 KKGE CCOc1c(I)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 164642338 ITZIERGMGYCFSJ-LSFURLLWSA-N 639.025 5.567 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214304164 XZHRLYRFENNMOF-OFWBYEQRSA-N 627.767 5.121 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214376752 YZUJBFHBNXLBLP-YUMHPJSZSA-N 542.595 5.411 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc2ccccc2c1 252607150 GYLDTQNRPKTEJS-SFHVURJKSA-N 596.498 5.465 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccc(NC(=O)C2CCC2)cc1 252626098 QWCICXVQCRUHPX-UHFFFAOYSA-N 531.443 7.101 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccccc2OCc2cccc(Br)c2)c(OCCC)c1 252628271 SMESEUBOPJUDBS-UHFFFAOYSA-N 525.443 6.370 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3cc4ccccc4cc3O)cc2OCC)cc1 254594295 QDAJCLANFUHWHF-UHFFFAOYSA-N 512.562 5.716 50 10 KKGE C[C@@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254825682 NSYXTAJIOOWVSE-DNUSIETPSA-N 533.757 6.025 50 10 KKGE Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2NC(=O)c2cccc(CN3CCC(N4CCCCC4)CC3)c2)cc1C 301054614 CCGMENFLGWUFHU-UHFFFAOYSA-N 586.180 6.423 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 685945288 NMORUBFNQSAMHF-YDAXCOIMSA-N 726.946 8.477 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cccc(I)c3)c2O1 720048951 DMRCBVRIMDWKEI-BJOHPYRUSA-N 507.991 5.861 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1OC 725413328 XUGMAGQUTAXANQ-UHFFFAOYSA-N 595.121 5.106 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 725418588 AIMWGLWFVBCVIK-MUUNZHRXSA-N 504.030 6.014 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CSc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084178115 UMOKOSBUKCXMKA-LZRJDNKJSA-N 589.761 7.977 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(Cl)cc2C)cc1 1084284199 DJAWKGANURYHMV-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(I)cc1 1084410622 LIPFAQFISHDGBX-MHZLTWQESA-N 598.481 5.961 50 10 KKGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)c1ccccc1 1084452882 NYKBCQNTPMOTKT-HXUWFJFHSA-N 613.523 5.305 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084584625 CRPHZGIYTFCONX-UHFFFAOYSA-N 607.183 7.252 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccnc1 1084615418 RZYIFOLXZXKSIU-UHFFFAOYSA-N 525.571 5.000 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748302 KJUUEZCBUSYISB-UHFFFAOYSA-N 512.009 6.482 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865690838 CKJQCCZCMXBRBB-NRFANRHFSA-N 516.495 5.495 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865691302 PBVIITOOGPGXQP-RUZDIDTESA-N 579.539 7.154 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OCC 1865691497 UFIVZPZBTWKNNG-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865691714 ZITOQKHFOPMILF-JOCHJYFZSA-N 557.876 6.256 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865692430 LZQUIVYYYPLCPY-XMMPIXPASA-N 563.441 6.149 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692590 NPKGHICAOUQYPF-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1865695606 QLJZMUJMCCKICL-WJOKGBTCSA-N 573.096 7.666 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703479 WNQKGIFEDZFAMF-MHZLTWQESA-N 545.470 7.237 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707192 QHMDGHKXVDPURS-HHHXNRCGSA-N 510.041 6.333 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714333 HNIINWFESNHRSK-XMMPIXPASA-N 544.995 5.201 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C(=O)OCCc2ccccc2)c1C 1866126983 BHKVRSOAMJLNKU-CJLVFECKSA-N 502.592 5.487 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc(-c3cccnc3)n2)cc1 1868565084 HHPMQADNUGTBQF-HSZRJFAPSA-N 518.568 7.216 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1Cl 1872727632 PPLQPTLKVVSGQH-YBFXNURJSA-N 517.969 6.048 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c(OC)c1 1872755204 CRSNLWICAHZEOP-BJTZIBPKSA-N 511.987 5.335 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCN3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872755847 JBRSLQBYKIYITQ-CYVLTUHYSA-N 500.363 5.604 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCCN1CCOCC1 1872790601 SPLCEAWFPDTPHO-XDHOZWIPSA-N 516.450 5.901 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCCCc1ccccc1 1872792029 AKFKFFYYYZGEQW-LGUFXXKBSA-N 502.639 8.048 50 10 KKGE CN(C[C@H]1C[C@@H](Br)C1)[C@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887892298 FJKOPEPHGTYFNQ-DMTNHVFBSA-N 509.488 5.950 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(Br)cc(Br)c1 1900366431 FDJGKMPLGPTHIK-MRXNPFEDSA-N 563.068 5.447 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1903847846 HQFNFOOGGLSBBT-UHFFFAOYSA-N 596.431 6.728 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915298526 UQBIQFXLRDKZRH-GOSISDBHSA-N 518.087 6.274 50 10 KKGE Cl[C@@H](c1ccc2sccc2c1)c1c(Br)sc(Br)c1Br 1924604657 GBTKHCLCVLWQHS-NSHDSACASA-N 501.490 7.579 50 10 KKGE Oc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079243441 VQSIKQBORBXODB-UHFFFAOYSA-N 529.016 5.174 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2083335743 UWVPLYUEWRIWMW-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE Cc1csc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2085493152 YGYJVKNZHPUXDA-LBPRGKRZSA-N 538.324 7.435 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2101004139 RLNJMWAYADGQPX-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(Br)c(C)c2Br)c(Br)c1 2138854949 VKBJZXGFLIGKRK-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1)Cc1cccc(Br)c1Br 2148761429 QDJYDAMFMLIYBL-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(CBr)c(Br)c2)C1 2164876227 AQZFNKGXQZWJNL-UHFFFAOYSA-N 502.241 6.082 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2167382231 DTKOFLDHKFOLHA-CQSZACIVSA-N 505.834 7.450 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@H]2C[C@H]1CO2 2206396544 YCAUZMBBQUPEEO-WGUOWYMESA-N 552.326 6.832 50 10 KKGE Cc1ccc([C@H](Cl)c2sc(Br)c(C)c2Br)cc1I 2217863759 FLMOPQQLNLQFAI-NSHDSACASA-N 520.455 6.823 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224323624 SJJUAKHYMGYRRW-SECBINFHSA-N 528.318 8.026 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)c(C)c1F 2264476637 QPXMTYBAGQKQAY-SNVBAGLBSA-N 535.896 7.276 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)c(F)c1Cl 2283192391 WSQBWCVUGFYLRZ-NSHDSACASA-N 509.797 7.281 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2283575860 ZEQYSUVFPWBLKX-SNVBAGLBSA-N 500.805 7.886 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)c(F)cc2Cl)cc1Br 2285986751 ZTPLQAKUOQWTGN-CQSZACIVSA-N 505.834 7.403 50 10 KKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1I 2288344799 NTXSYPGCYIJQQY-LBPRGKRZSA-N 580.830 6.887 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1OC 2293202111 DSCFVRZWRAYLJK-UHFFFAOYSA-N 516.450 6.774 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293452849 ZBRKSMJZJATGIW-UHFFFAOYSA-N 548.382 5.903 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2294608866 SKKRUSRVNWLCBW-UHFFFAOYSA-N 510.384 6.853 50 10 KKGE CCc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 2295945949 ZPIJJBDUBDGOHB-LJAQVGFWSA-N 608.163 7.796 50 10 KKGE CC(C=NNC(=O)CNc1c(Br)cc(C)cc1Br)=Cc1ccc(C(C)C)cc1 2296653214 UKMPYBLTJCJTGG-UHFFFAOYSA-N 507.270 6.261 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCc1ccccc1 2313565292 GZZXDXCEIDNUTJ-UHFFFAOYSA-N 544.218 6.153 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)cc1 2313568057 OLSBYCXAQKYCHI-UHFFFAOYSA-N 544.218 6.784 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2313724494 CHSSHROFLZWRIR-UHFFFAOYSA-N 501.302 6.593 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 2314616767 JIESKODGPGQTCS-UHFFFAOYSA-N 597.741 5.495 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)C(C)=C(C#N)C2=O)cc1 2314616842 KYSSCECZAMAYHP-UHFFFAOYSA-N 609.480 6.111 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331386817 QZUMLGRSERKHHU-IQMFZBJNSA-N 503.580 5.331 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331392130 SQCZOWIVGJDIPQ-UHFFFAOYSA-N 503.023 7.395 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1 2331421690 JXQVVIMCPFDEGX-UHFFFAOYSA-N 507.442 8.159 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2338026597 FXSZCEOHTZRUBS-AWEZNQCLSA-N 534.482 7.158 50 10 KKGE Brc1ccc([C@@H](Br)CCc2ccc(I)c(Br)c2)cc1 2349849734 CLDVLRHNERGSCW-ZDUSSCGKSA-N 558.877 6.885 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2I)c1Br 2362235107 KHTYNHJWIZFEBB-LBPRGKRZSA-N 617.703 7.699 50 10 KKGE CC1=CC[C@@H](C(C)=NNC(=O)CNc2c(Br)cc(Br)cc2Br)CC1 1054812 UJFZONALKZWQMT-GFCCVEGCSA-N 522.079 5.625 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 1783147 VRZHDYWTAIBHSD-JXAWBTAJSA-N 520.839 7.434 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Br)cc2)N(c2ccc(F)cc2)C1=O 1790132 UDISLMQFRACYLH-QPQMVVSWSA-N 536.426 5.962 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29491561 GAJMJJQTRRMFEG-LYBHJNIJSA-N 560.683 5.995 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678721 BEVLLAINSPPQEY-XMMPIXPASA-N 505.368 5.674 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38681944 QHYUMVFWCDVDIW-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 38686131 AGMAIIJWQBFVKR-GDJIYFAZSA-N 516.569 5.986 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)cc1Cl 38688547 FBWSWFXEAMTDJS-RUZDIDTESA-N 517.368 6.593 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1C 40823221 AAZNDQMXXZZNLC-XAZZYMPDSA-N 507.406 5.447 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100185701 KJMOVOIJFKTJCQ-UHFFFAOYSA-N 546.289 6.335 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227635 OMDKHQWBIXJCKY-GXZQEHIMSA-N 603.413 5.141 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101293505 DCDFUJUEIGGVTB-HKBQPEDESA-N 565.025 6.921 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c1 101337139 GAZSHAVKOOPQJM-JXXQQCOQSA-N 536.632 5.489 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc21 101368924 NRBBMYOHQJNWCC-DEOSSOPVSA-N 541.785 5.314 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 101377982 IOWYMKGFLVCYKD-WJOKGBTCSA-N 561.078 7.200 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379631 KPZMXSPKNYFGFO-HKBQPEDESA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380709 TWBADGDCYATTLS-RDPPTWFYSA-N 552.989 6.895 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381124 ZOGVKPSVQJLLDX-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101392800 DZPJINWMMNRIQT-HSZRJFAPSA-N 553.423 6.663 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCCC(C)C 101393389 XOEVPMKPSZIEQI-SSEXGKCCSA-N 587.072 7.574 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1Cl 101395157 FGFURSWWINIWIJ-XMMPIXPASA-N 553.398 6.006 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101395952 VJZXIKAXLFQOOI-HKBQPEDESA-N 601.099 8.190 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101397524 HTWGIIUEZLOLKQ-MUUNZHRXSA-N 599.495 8.224 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603719 GOCYAAZJVLTNHI-OGLMXYFKSA-N 526.203 6.891 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1OC 101611874 WKHUDLPYIAOFLE-UZWMFBFFSA-N 574.461 5.120 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 101619936 QFVCBHCAVVCRQM-NJZRLIGZSA-N 539.415 6.876 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1 103756920 KGLQTILGAMAHNO-KMSAIEFDSA-N 564.594 5.718 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(F)cc1 103877362 FSFWFVMYFOEIIE-CCVNUDIWSA-N 558.347 5.918 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1 105635041 RLCGSHIIYBWLPA-GZZLJNBRSA-N 526.681 7.425 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)s1)c1ccc(Br)cc1 118671816 RDHPAUSMTIUYNZ-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1 150382787 OOEYLLSLQBQZBG-OADPBGPJSA-N 672.155 6.359 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150421782 LKQMJONZZKNIOY-UHFFFAOYSA-N 641.154 5.744 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 150478013 KHWDKEQZNNGNQZ-HKBQPEDESA-N 633.503 8.328 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 150478784 GDOSIXABOSBFJN-PNQUVVCRSA-N 637.408 7.709 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1OCC 150485871 KJHDOVLZVJDUKD-DDSCJHSHSA-N 663.837 7.187 50 10 KKGE CCCCCCCCC[C@H](I)CCCCCCCCO[C@@H](CC(=O)O)C[N+](C)(C)C 198499506 DFLICWRDAYKGDE-ZEQRLZLVSA-O 540.591 7.228 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 199695468 PGJKESPHANLWME-UAQOLAROSA-N 970.194 9.689 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214279332 ZHQGXCBTCYFMCA-RGXNXFOYSA-N 594.646 7.050 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 214384178 IYRJHFHSWFPERJ-RHANQZHGSA-N 564.601 6.214 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 231223089 PPFHNIVPOLWPCF-FCMAGTKHSA-N 541.071 6.075 50 10 KKGE NS(=O)(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc3ccccc13)N2 252394300 FNTGWNHFSNXSHE-QCCXDOPZSA-N 566.104 6.434 50 10 KKGE CCOc1ccc(C2=C(C=NNC(=O)CSc3nc4ccccc4s3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 252631838 VMWYKFQKHTYJJI-HKBQPEDESA-N 577.731 7.525 50 10 KKGE Cc1ccc(NCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 253569275 MDQVTDHZORIBGA-PPOKSSTKSA-N 526.729 6.523 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C)c(C)c3)cc2OCC)cc1 254611237 VCBHMVDBIYFLBP-UHFFFAOYSA-N 504.583 5.239 50 10 KKGE O=C(CCC(=O)NN=Cc1ccccc1OCc1ccccc1)NN=Cc1ccccc1OCc1ccccc1 254633444 ZFZVWJRHJXBKAD-UHFFFAOYSA-N 534.616 5.225 50 10 KKGE CC1(C)[C@]2(C(=O)N[C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256022787 AGSGUFCWCBDQMN-OHVFLVLKSA-N 540.178 6.003 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(Br)c(O)nc2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C 256836031 XZYGEGFEDTXIDM-YESZJQIVSA-N 535.628 5.411 50 10 KKGE Br[C@H]1C=C[C@H](Br)[C@H](Br)C=C[C@H](Br)[C@H](Br)C=C[C@@H]1Br 267326252 HVIIZEINTLSKNX-WUFAPUTGSA-N 635.652 6.250 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2csc(I)c2)c1Br 306071252 CDMGTAYOGRUPSI-SSDOTTSWSA-N 531.982 6.680 50 10 KKGE Fc1cc(Br)ccc1COc1c(Br)cc(Br)cc1CBr 312238154 BUZBDHOJSXQLCY-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(I)cc3c2OCC3)c(I)c1 383681116 WOYXWGHTHJPWKX-AWEZNQCLSA-N 514.503 5.298 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 504497453 CNBLTHBPVHYRAS-UPDGDVLMSA-N 514.911 9.597 50 10 KKGE Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CC[C@H]3/C(=C/[C@@H]4C5=C(CS4(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C5)CCC[C@]23C)cc1 605692254 IIIFNYBSFCNRAE-MPUGFUOZSA-N 793.294 10.147 50 10 KKGE C[C@H](Cl)c1nc2ccccc2n1-c1cc(I)cc(I)c1 709792550 OLNIEEQNPUHMKW-VIFPVBQESA-N 508.528 5.535 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Br)cc1 1083918741 NKGCLNZPETYDSX-RGVLZGJSSA-N 617.281 6.804 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084083951 NTAMAQIUWADPDW-JOCHJYFZSA-N 546.805 5.554 50 10 KKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 1084087698 JIUGWXCAMSGWJL-UHFFFAOYSA-N 515.238 6.831 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1084111490 UGWBRIDNPYFPJN-NDEPHWFRSA-N 595.921 7.197 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084150600 ZMADBXATQVGENM-UDWIEESQSA-N 605.747 7.244 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl 1084158608 ARUYZWLONKWDPL-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 1084300289 KRISRHFMFRCLNH-UHFFFAOYSA-N 673.235 6.636 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1Cl 1084319580 DIYPIIYTLRNPBO-UHFFFAOYSA-N 538.504 6.382 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1 1084399126 OOKGQSPXRYXTJA-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084431771 IADYXBQUJRZVRA-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)c2ccccc2C)cc1 1084434790 SASGYMKAXWARBZ-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084438176 AISDZAZZUOTOAX-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Cl)c1 1772754931 APWDKDZPUXMQCZ-UHFFFAOYSA-N 651.435 8.100 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 1772755221 VBKFTNXJUWVTLF-UHFFFAOYSA-N 616.990 7.446 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688917 FJISRWQXZYTHCN-MHZLTWQESA-N 579.459 6.745 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865689741 DMYCVIYHPDRUKF-HXUWFJFHSA-N 502.924 6.332 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865691138 KIDWNOLNNJOLSK-AREMUKBSSA-N 565.512 6.497 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694951 GJSLFWZOWKSNQK-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865695021 HYKHYQRTVKMNEL-QHCPKHFHSA-N 533.510 5.400 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1O 1865695830 HSVKXFVUHHFTDN-NRFANRHFSA-N 519.786 5.879 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704313 SJCSECOWVKSDNO-SANMLTNESA-N 538.529 6.841 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865706702 CVVZOCFDZZQZPM-MUUNZHRXSA-N 528.031 6.277 50 10 KKGE CCCc1nn(CCC)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711672 FHVVBNZSRXLRRV-PMERELPUSA-N 534.660 6.622 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865714043 BEEOANFCGRTFTQ-HXUWFJFHSA-N 500.342 5.023 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867011076 YHJLNEMPWAFRTB-WUFINQPMSA-N 513.663 5.908 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)nc(-c3ccc(Cl)cc3)n2)cc1 1868434061 WDLNDCPTMCPJQQ-VWLOTQADSA-N 546.099 8.592 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)nc(-c3cccnc3)n2)cc1 1868564492 BQTDJDOZXSSLJV-UHFFFAOYSA-N 542.112 6.264 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)cc1 1872747478 FTIRCBZVHRSYGP-UZYVYHOESA-N 519.848 7.277 50 10 KKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782367 GXHHAPATHWNFSP-MWAVMZGNSA-N 520.657 9.273 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1csc(Br)c1Br 1924063326 PCTYMSCOLWXMFO-LHLIQPBNSA-N 518.894 6.670 50 10 KKGE Brc1sc(Br)c([C@H](Br)C(C2CC2)C2CC2)c1Br 1924583448 KEXJSYGPDQERAR-SECBINFHSA-N 507.911 6.908 50 10 KKGE Cc1ccc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595149 VFQODJXNYBZFNJ-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 1924600845 HMMZMYJOUBPRGS-HNNXBMFYSA-N 595.976 8.099 50 10 KKGE Fc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924613567 JWWTVAVLOOUYBI-SSDOTTSWSA-N 543.822 6.937 50 10 KKGE C[C@H]1COc2ccc([C@H](Br)c3ccc(I)c(Br)c3)cc21 1925679289 KZKWKRVPOUQJQO-FVMDXXJSSA-N 507.991 6.034 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)s1 1948822194 BABOKLQLCGICRC-JTQLQIEISA-N 526.846 6.859 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1 2053623124 GEBJGOBIZYCGEK-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE Clc1ccc(-n2c(Cl)nc(Cl)c2CBr)c(Cl)c1I 2055077078 FRPHLLZHAHGION-UHFFFAOYSA-N 500.776 5.985 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCC[C@H]21 2085495593 LOLAZLZTNOBEOX-FITKCZHHSA-N 522.300 7.063 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cc(I)ccc1Br 2117893634 IPTPVWBESVFAMF-SNVBAGLBSA-N 550.016 5.167 50 10 KKGE CCCOC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141467920 DXXPNSIVTXIPBS-GFCCVEGCSA-N 584.766 7.132 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2145955804 IQGCKUGODNRGQH-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cc1cc2nc([C@H](C)Cl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Br 2158588049 HVEDHWLQXFJBCH-NRFANRHFSA-N 538.917 6.878 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(Br)sc(C)c2C)c1Br 2201061991 KGVGAQYZIKKYQH-AWEZNQCLSA-N 501.509 7.597 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394133 FEMVBKWIRICUJO-LLVKDONJSA-N 615.183 6.869 50 10 KKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(Br)cc1I 2207259986 DINRDKAGELSWOA-IINYFYTJSA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2225617845 WCZBKSFIWCQGKK-CYBMUJFWSA-N 580.709 7.360 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)c(Br)cc1F 2233978214 ZBTFAZZRMLURMR-SNVBAGLBSA-N 533.830 6.931 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCOC[C@@H]1OCc1ccccc1 2234055776 DKAMOGPYCPCCAP-HKUYNNGSSA-N 514.645 5.847 50 10 KKGE FC1(F)CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2252725350 XDMBNKFAYKMEGY-UJURSFKZSA-N 517.853 6.907 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 2270452038 CSFQYMCHUKOLLL-LLVKDONJSA-N 535.896 7.276 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1OC 2283448579 GURDDMDAMYGOIG-JTQLQIEISA-N 505.453 6.428 50 10 KKGE FC1CC2(C1)CC([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2287706682 OCQGZEQJWOIRAD-ZULRRMSUSA-N 554.317 7.545 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 2294156110 OUMBDXVSINBUAB-UHFFFAOYSA-N 512.993 7.025 50 10 KKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1nc(-c2ccccc2)cs1 2295672337 NPAVLWCNJGXBIT-UHFFFAOYSA-N 516.420 6.697 50 10 KKGE COc1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c([N+](=O)[O-])c1 2295945675 NJVFACLDPAGBNA-UHFFFAOYSA-N 525.340 5.572 50 10 KKGE COc1cc(C=C(C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)Nc1ccccc1 2297369732 AXZCSAWKXYBYDL-UHFFFAOYSA-N 555.328 5.290 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1Cl 2297451146 ZOBWNAWPJDVOAU-UHFFFAOYSA-N 597.716 5.856 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1I 2303543336 OLCONCJSOMKSIY-OAHLLOKOSA-N 567.059 5.154 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570840 HFYGLTXMQDYZPC-UHFFFAOYSA-N 546.204 6.579 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571479 XGNYICVYCPTMQX-UHFFFAOYSA-N 599.081 7.782 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 2313630991 YVMNPMMIYLGUNL-UHFFFAOYSA-N 530.191 6.475 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 2313670788 WTSVXCDQISNHKE-UHFFFAOYSA-N 511.405 6.203 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)cc1 2314532539 KRRKVJLTLNWMAM-UHFFFAOYSA-N 515.367 5.357 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592073 LHISPQXAOMTGRO-PMERELPUSA-N 537.729 7.526 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592360 RSCZRZGRFOSUNS-MUUNZHRXSA-N 525.674 6.411 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593424 MUIIKVJLPHCAPR-PPHZAIPVSA-N 564.538 7.420 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314617399 XPCXPTWTJLQFAY-UHFFFAOYSA-N 504.590 5.639 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 2314737347 ZYEXTIUEIIEUES-UHFFFAOYSA-N 544.563 5.203 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314738222 MBIGXTHFHUHPKD-UHFFFAOYSA-N 573.989 6.083 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OCC)cc1 2314754819 DEYIKHWEKRYMHH-UHFFFAOYSA-N 525.561 5.203 50 10 KKGE Cc1ccc(C=NNC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1 2320487701 XRHZLSJHRRMHII-UHFFFAOYSA-N 524.671 5.973 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2331295958 ZFCVUQRABPBZLF-UHFFFAOYSA-N 505.426 8.202 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2C[C@@H]2CO1 2333303615 MAVGQFCSGXSSPT-IXULNIHHSA-N 538.299 6.442 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CCC[C@H]2CC3)c1Br 2338784534 PDXJRMDHRUJSLC-CKEKPRIKSA-N 535.965 7.688 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2339651001 LFRRNNWEJXHVKC-IBGZPJMESA-N 543.068 7.722 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNC1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 2353241355 ACEWLNPHJRXAGS-GPJFCIFZSA-N 503.775 5.298 50 10 KKGE COc1cc(Cl)c(CBr)c(Oc2cc(Br)cc(I)c2)c1 2365791485 ZKMUKYGBZKAMBR-UHFFFAOYSA-N 532.397 6.403 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(I)c(Br)c1 2377333693 ZNFIBTSSARASHK-ZDUSSCGKSA-N 572.904 6.613 50 10 KKGE Clc1ccc(I)cc1COc1c(CBr)ccc(Br)c1Cl 2380353489 LYJQMNDWWUBHDV-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2scc(Br)c2Br)c1 2381250722 YKWQFBSNGMBNKJ-LLVKDONJSA-N 547.932 7.091 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@@H]1CP(c1ccccc1)c1ccccc1 6845120 BFMKBYZEJOQYIM-ZUKKLESISA-N 553.623 6.630 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642276 SWDFHRYOZDJHJX-SFHVURJKSA-N 519.395 5.263 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 29491624 YPYIBNZXYHWSCX-QJOMJCCJSA-N 579.060 5.935 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 38659635 BRSBDQBTNCVJHK-MHZLTWQESA-N 520.969 5.258 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38683099 AKTQDZYQTGTNQV-URAOTHONSA-N 526.633 6.580 50 10 KKGE CC(C)CCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100179311 AFQFHKCIFROEHO-UHFFFAOYSA-N 623.367 5.504 50 10 KKGE COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(C)s1 100688122 AEIDNVVGNNEDSW-MHZLTWQESA-N 544.702 6.080 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101336444 PLAIUCCWLUVSKI-QDCCHXAWSA-N 527.584 5.050 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367520 SYPSGHSWZRUQCC-UMSFTDKQSA-N 576.649 6.600 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C)cc5)ccc43)cc2)cc1 101378503 GNBUIEJCFOABCZ-YTTGMZPUSA-N 532.596 6.085 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382418 QWFSBHKXWCHMOJ-FLASPHMUSA-N 560.650 6.728 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384938 FSBDPGPNCINRQB-WJOKGBTCSA-N 601.486 7.799 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386753 RZJYWHZDHSVUFD-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386772 DOMVBRGFLMTKTG-RQZFFVEVSA-N 584.575 6.143 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(F)cc1 101389413 AGGBHWYLWANEFO-PMERELPUSA-N 581.556 6.149 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101394207 ABSBZONCLHSGMB-GDLZYMKVSA-N 538.600 6.593 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601796 IDZYAVYRGWWCHW-OGLMXYFKSA-N 535.771 6.179 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 103877120 QGFLPRPITLVLHQ-PNQUVVCRSA-N 596.692 7.897 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1cccc2ccccc12 103877430 BLPYYIXUYDVMKQ-KPGMTVGESA-N 577.862 7.744 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1OC 128554111 FNAWBTCNKVMLQK-GFCCVEGCSA-N 505.453 6.428 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 150485817 GKZBFLIZOMLVEE-POCUQSMASA-N 738.690 8.114 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 150488728 PAGDCHPOKXVUPJ-HYARGMPZSA-N 653.314 7.730 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1 150497490 WSQFAJMCYVXEMR-FNTLCPBMSA-N 656.742 8.073 50 10 KKGE Br[C@@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155257513 GNMDKWFGWIAFFP-CHWSQXEVSA-N 672.908 6.366 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 164218301 CAGOOIJVCUBDFY-GOUIQGNISA-N 696.001 6.564 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 164650242 KRAUHJZJHJSXOX-ODNPBWNPSA-N 633.373 8.865 50 10 KKGE NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724501 BQUVKZIEVOEVOZ-HEVIKAOCSA-N 765.780 5.201 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2OC)cc1OC 207110622 PZHXFNGLLDLXOT-AJYPUEJJSA-N 534.653 6.105 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 214297097 QFWGZZOZKXKAAG-BRPDVVIDSA-N 552.675 6.046 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214313448 XIRAKLCBZWTOTI-IDWIKUEFSA-N 627.704 7.459 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214377877 JDMIVHAVGDUBCA-FSGOGVSDSA-N 540.623 6.205 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)c2ccc3c4c(cccc24)CC3)cc1 252624903 PXWKBUDBUQZZDJ-DYXPEQTCSA-N 530.672 6.096 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1)c1ccco1 263630548 HZQSORFYENVCJC-UHFFFAOYSA-N 513.457 5.579 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H]2CCC[C@H]2[C@@H](C)c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)ccc2C)c1 575629822 ZBMVOFSEXRPEMA-HBTDQTPDSA-N 762.799 11.738 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725393214 WHXMSHNIXGEQKC-UHFFFAOYSA-N 556.475 5.142 50 10 KKGE C[C@@H](COC(=O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)O[Si](C)(C)C(C)(C)C 888086350 GBGSABGMRFQABY-OUTSHDOLSA-N 561.239 6.017 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1083923981 NIAGQLRUBQRMFK-UHFFFAOYSA-N 533.422 6.353 50 10 KKGE Cc1c(Br)c(C=NNC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 1083988321 FZTDOLBATRSFAF-UHFFFAOYSA-N 569.095 6.537 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(Br)cc1 1084023246 LVFQHEPOWWPGPY-UHFFFAOYSA-N 541.254 5.102 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 1084212232 XHBJWNWRPKXDMV-QFIPXVFZSA-N 515.379 5.140 50 10 KKGE CNc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084223526 UGIWWMSWNGYWBL-UHFFFAOYSA-N 624.014 5.210 50 10 KKGE N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 1084335942 PFGHHCCPIAZCFF-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccccc1Cl 1084360987 YCACJJBMWINRJX-UHFFFAOYSA-N 613.677 6.449 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccccc1)c1nn(Cc2ccc(Br)cc2)cc1Br 1084402805 ACDVTQJXEOBSBP-UHFFFAOYSA-N 568.269 5.799 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Br)cc1 1084408184 ULVFRHFCQUPQNU-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 1084422562 BYUVGBAUTWWDCW-UHFFFAOYSA-N 573.197 6.209 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)COc2ccc3c(c2)OCO3)c(OCc2c(F)cccc2Cl)c1 1084428206 XJSQWKHXYORUKB-UHFFFAOYSA-N 527.980 5.162 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\CO)[C@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O)O1 1307286661 GLZXZXWXNKWZIJ-YWPLRULISA-N 644.881 5.110 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 1554493144 SNXLHUYSSTZASB-PBVDAQANSA-N 625.795 6.132 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl 1772755033 IETVSXOGENUBJL-UHFFFAOYSA-N 538.094 6.684 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684615 TZGHDLAWPPGVFQ-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865687173 LBTJMOCJTXFINZ-SSEXGKCCSA-N 548.687 7.011 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc(Br)c1O 1865687886 CPGDWZLVDHMIBD-HSZRJFAPSA-N 517.383 5.419 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688788 AUSSUONBOPIYLZ-MUUNZHRXSA-N 575.496 7.246 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865691139 KIDWNOLNNJOLSK-SANMLTNESA-N 565.512 6.497 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(Cl)c1 1865694452 YIHQZMRFKXKHFC-RUZDIDTESA-N 543.023 5.886 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701189 OQEITNZKIXRMFL-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1C 1865703117 NGFCIPZENCALHT-LJAQVGFWSA-N 559.041 6.537 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703618 XGRWAJBRSKQUCM-PMERELPUSA-N 540.623 6.654 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705167 NTOABGHZLLIVNS-SANMLTNESA-N 541.007 5.924 50 10 KKGE CSCC[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866976591 FGVFETBNNTUJEJ-LEWJYISDSA-N 520.518 5.638 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)cc1OC 1868413638 CTPAXRDOZXLCIK-PXDATVDWSA-N 574.106 6.833 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5Cl)cs4)cc3C2=O)c(C)c1 1872746549 MXPDMKNZSJIFRN-DAFNUICNSA-N 511.990 6.831 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872754247 JWAKIYULZCKHJC-PGMHBOJBSA-N 517.394 6.584 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 1872755351 JFNSKRGATJIFMF-LCUIJRPUSA-N 506.668 7.557 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1872756032 QOEZLTOVICNEPF-VZCXRCSSSA-N 510.503 8.404 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)CC2=O)cc1 1872758738 OGWUFOBCNUZNSP-PPFHAMGKSA-N 508.043 6.660 50 10 KKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1876919664 WUYBYGCXXNDLHL-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2)c1Br 1922942172 QODLXAMBAQYVIG-JTQLQIEISA-N 503.879 6.828 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1scc(Br)c1Br 1923055198 QHOHDYXNJMQZRP-YFKPBYRVSA-N 609.222 7.997 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1scc(Br)c1Br 1939456954 VWAZNXPCFSTVFI-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1950757292 IXCQEFQTXNAOMB-PAKKCRSFSA-N 521.816 6.670 50 10 KKGE Cl[C@H](c1cc(I)sn1)c1c(Br)sc(Br)c1Br 1983286450 QCLXLHLAFGRUIP-ZCFIWIBFSA-N 578.314 6.425 50 10 KKGE C[C@@H]1[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2085498780 CVLALBWZMDCJKF-FJRWEMQYSA-N 576.693 7.074 50 10 KKGE CCC[C@@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121073856 RMLAFTLTJLQYFN-MRVPVSSYSA-N 516.857 5.791 50 10 KKGE FC(F)(C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 2128816798 OUWQKRCEZNNDOV-VIFPVBQESA-N 545.907 7.687 50 10 KKGE CC1(C)CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471270 PTPFSMFBHVBXKH-UHLUBPPHSA-N 538.343 7.843 50 10 KKGE C[C@H](Cl)c1nc2ccc(Cl)c(Cl)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2159734016 LCINLXAYJWSYAP-IBGZPJMESA-N 514.884 7.114 50 10 KKGE CCCCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 2175009655 CEXHFTIIJYRLCP-JIMOISOXSA-N 676.896 5.600 50 10 KKGE O=C(c1ccc(Br)cc1I)N(CCBr)C1CCCCC1 2207271517 JMOSBEIMEUNPPE-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE Brc1sc(C[C@@H](Br)CC2CCCC2)c(Br)c1Br 2216422740 XFYITPVPUMAHBL-QMMMGPOBSA-N 509.927 6.922 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Br 2224306128 ZPWPUXKZPQFEOJ-SECBINFHSA-N 528.318 8.026 50 10 KKGE COc1cc(C)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 2225620152 REBVUYWRMJSBCP-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)cc1I 2232834348 UHNSENBUXPGOEZ-OAHLLOKOSA-N 510.540 5.467 50 10 KKGE CC1(C)C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)[C@@H]1OCc1ccccc1 2234072557 ZMESOMNJPTXFND-QUCCMNQESA-N 512.673 6.857 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3ccccc3)c2-c2ccccc2)cc1 2294193355 IAAIOIHBRZLDNW-UHFFFAOYSA-N 537.619 7.534 50 10 KKGE F[C@H]1C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2307225609 XVFVYZZUIQYFDV-RDSNPXOSSA-N 514.252 6.765 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521257 AAFLVKNYJAMMKJ-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 2313571152 OMKXEXQJAJNKAS-UHFFFAOYSA-N 570.687 8.477 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCc1c(Cl)cccc1Cl 2314397106 UNCDYSKDSHYWEJ-UHFFFAOYSA-N 593.492 6.170 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)N1CCCCC1 2314414558 CKJQTFZMEYIDBZ-UHFFFAOYSA-N 506.581 6.177 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592390 SGOROECGLJKHAI-SANMLTNESA-N 513.619 5.386 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314610378 HAPIJCIQOOKLQS-UHFFFAOYSA-N 620.753 8.444 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C(C)=C(C#N)C2=O)cc1OC 2314616888 MDJWYLLRFLZBBJ-QFIPXVFZSA-N 600.675 5.715 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314617945 DMAGDWRAJXWKJD-DEOSSOPVSA-N 512.613 6.510 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 2314619117 ZXSXCVKDTXGXOF-UHFFFAOYSA-N 567.045 6.757 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2sccc2I)c1Br 2315440359 RTMUZONMSQDZJQ-SECBINFHSA-N 544.836 6.998 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1OC 2328804134 UKCRMYFYCKWPNH-UHFFFAOYSA-N 508.615 5.769 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c2ccccc2)cc1 2331340604 IVPXGPBXPMZPTJ-UHFFFAOYSA-N 506.671 8.754 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1OC 2331347143 ZCYGNWROCYBTGF-GOSISDBHSA-N 514.607 5.192 50 10 KKGE Cn1nc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2337095171 XMRVISVPWPFLSL-SSDOTTSWSA-N 541.238 5.379 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(C)c1 2338016545 BSEDELWYPYLYJM-HNNXBMFYSA-N 514.064 6.860 50 10 KKGE Brc1ccc([C@@H](CI)OCc2cccc(I)c2)cc1 2341610492 AHPJUPPQWHGQER-OAHLLOKOSA-N 542.980 5.747 50 10 KKGE Cl[C@H](C[C@H]1CC[C@@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2367951208 MSLSLVGBMUZTOH-KBVBSXBZSA-N 550.354 7.843 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 935369 NXWIXJIESNDKCI-WGHBEHPSSA-N 542.842 5.438 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)c1 2356768 MGMBGBIFXWSVSY-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660798 YRVJZPIFAFIWCL-SSEXGKCCSA-N 520.541 5.690 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)CC1 38700417 UWVXSKFIJAKMAF-AVEQNKPZSA-N 520.626 5.833 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Cl)cc5)c(C)c43)coc2c1C 40826734 AQSGMPYVTBKAEV-DFKUXCBWSA-N 503.986 6.256 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212078 HUJUWFISRVALDM-UHFFFAOYSA-N 572.459 5.706 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 100238025 VQWIWXUCBPZMLI-SOZKBHHHSA-N 571.501 6.672 50 10 KKGE CC[C@H](C)Oc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100258698 JFZGUMOWKQOQBQ-AWEZNQCLSA-N 609.340 5.257 50 10 KKGE COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100296455 XCUNUAUAIJZJOU-JLHYYAGUSA-N 514.788 6.318 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 101244108 XPDCMOUSFRGXTL-MYJTZRONSA-N 537.729 6.950 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246770 LVYBOPPPHDHWMU-KVILUOORSA-N 568.482 6.466 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101336483 TYIYUJJEHIQKFL-XODNFHPESA-N 529.644 5.528 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362617 RESMCUUHOHQDMX-KCEHZKJRSA-N 546.623 6.419 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101373625 DIIKYPLVCOFGOF-NDEPHWFRSA-N 560.603 5.337 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OCC 101374125 FQQRVSIWHMGBRJ-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374299 MMDXJPGTYOSJQG-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385264 DNAYZGLWFURNHC-PMERELPUSA-N 587.459 7.327 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387213 VYDOALWLIGJTIT-JGCGQSQUSA-N 580.612 6.638 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101398489 ICBFHMXPZSBHEN-IHLOFXLRSA-N 566.997 5.883 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1OC(=O)c1ccc(OC)cc1 102262902 FPDGDGSTXNUFML-UYRXBGFRSA-N 579.403 5.408 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@@H](C)C2 102665476 WDQNSGVFEHEUOF-ADVGAGMGSA-N 529.445 7.162 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OCc2ccccc2)c1C 102924906 HDRRCKCVFGSGIU-XSFVSMFZSA-N 547.633 6.829 50 10 KKGE C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cl)c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 103020036 ANKMRGNSZGYTEK-LIKDZFNVSA-N 553.490 5.112 50 10 KKGE CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)C1 103147441 PHPIJWJXDIZVDV-FFCVWOAGSA-N 584.138 5.424 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1 103563445 UPOZXMNHNUBLOB-ATZGPIRCSA-N 578.452 6.362 50 10 KKGE O=[N+]([O-])c1cccc(/N=N/N(CC(CBr)(CBr)CBr)c2cccc([N+](=O)[O-])c2)c1 103750175 VMIUMVNBCLQVJF-QURGRASLSA-N 594.058 6.179 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4ccc(F)cc4)c3C)sc3c2CCCC3)cc1 103872463 DFJSEGYALIVMRH-VTNSRFBWSA-N 543.668 6.890 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2ccccc2c1 103878623 XERIQCSLKVHHCN-IBBHUPRXSA-N 608.286 7.463 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929300 URFFAMRMFHUVIT-KVAAJVFYSA-N 601.132 6.606 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 105151285 BJAXQLIHURLEAM-KBVAKVRCSA-N 547.084 5.551 50 10 KKGE O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 105626964 AAJHKLCKXQOUNX-LJUMEUDFSA-N 576.834 6.338 50 10 KKGE Fc1cccc(C(CBr)(CBr)Cc2ccc(I)cc2)c1 118877656 OJFWHYJTPXWQPU-UHFFFAOYSA-N 511.998 5.701 50 10 KKGE C[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCC[C@H](Cl)CCCl 145512737 FHKUUILMHIOLID-BTNSXGMBSA-N 579.779 11.131 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150431959 AKTIBQSPKSFGDW-YTTGMZPUSA-N 669.503 8.058 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498131 CHPYRGBPWWYAIF-CPVAAMROSA-N 666.203 6.406 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 164618175 UXVAKDJKGBKKLH-ODNPBWNPSA-N 816.275 8.767 50 10 KKGE COc1cc(/C=C/[C@@H](O)C[C@H](O)/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C 206566900 UXOOAVJYBUPJAX-OKGOFTFBSA-N 600.945 8.310 50 10 KKGE in-vitro COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C2=O)cc1 214393950 SEEZLGUEWCXIDY-MNDYBZJGSA-N 558.682 6.141 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1OC 254340722 FECHKUANIOADFK-UHFFFAOYSA-N 541.555 5.213 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 254522064 CMDQABSWROSQQT-UHFFFAOYSA-N 508.747 7.371 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 254616573 DJHNSOMTBQSLEY-UHFFFAOYSA-N 551.728 6.572 50 10 KKGE COc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(F)c1 254622574 DMMUMYSOJWSPPC-SIOCTFBSSA-N 580.616 5.041 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccncc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254820326 XOBPFBCHUIKRAH-UHFFFAOYSA-N 514.655 5.268 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254868923 XGONPDWJPQJZDW-JCTCTBKHSA-N 509.679 6.448 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 263632583 VCXPAZJKNMKXNK-UHFFFAOYSA-N 504.377 5.087 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(Br)c(O)c(Br)c2O[C@@H]2[C@H](Br)C(=O)[C@H](Br)C[C@@H]21 504280214 YPBNVVVXYCUEAB-SRTHINIRSA-N 653.943 5.624 50 10 KKGE CCN1c2ccccc2Sc2cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 642813735 MVVVHHYACBUBNO-UHFFFAOYSA-N 502.643 7.803 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)c(Br)s1 692783992 HSPWBQCFOQRBRG-MRVPVSSYSA-N 521.869 6.853 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cnn2C)cc1Br 693061618 NQXMQSJCGCDPHY-LLVKDONJSA-N 501.842 5.500 50 10 KKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1cccc(Br)c1 719439756 NAOZTXOQGHEQHK-MRXNPFEDSA-N 519.115 6.720 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083817429 AQLURWHBCUUICR-GGQFQEFSSA-N 710.852 7.267 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1083952394 ZRWNJLHFNJPILP-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)ccc1OCc1ccc(Cl)cc1Cl 1084116692 NKTOSBGGFQSMKL-UHFFFAOYSA-N 564.495 5.500 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1084356798 GUVXORDHFKNMOS-KRWDZBQOSA-N 503.451 6.602 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084368367 JOXNOBPLXDIICC-OVCLIPMQSA-N 709.536 7.981 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(SCC(=O)NNc2ccc(Cl)cc2)n[nH]1 1084514587 AGLIIMQAQXEWNQ-UHFFFAOYSA-N 661.280 7.105 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084522525 MWWJGRVANRAZFW-UHFFFAOYSA-N 651.730 6.003 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084525881 RKRRPBUZXYDPDV-OVCLIPMQSA-N 800.987 7.932 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084572880 VTTKHGANHKXVQG-MHWRWJLKSA-N 594.192 6.631 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743923 OHKOWUMCCUUWOD-UHFFFAOYSA-N 536.209 6.347 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)C(c3ccccc3)c3ccccc3)CCC4)c2n1 1772748607 MHGCWEVNCBGEBO-UHFFFAOYSA-N 543.623 6.653 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)Cc3coc5cc(C)cc(C)c35)CCC4)ccc21 1772751696 JWPVWASGITUUST-UHFFFAOYSA-N 586.692 7.730 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OCC 1865689138 LASLEGDWGDMGAO-AREMUKBSSA-N 510.569 5.753 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689861 XVCVYWVQJCINFX-GOSISDBHSA-N 536.213 5.436 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865690028 ZKACSYVKZAKMJU-AREMUKBSSA-N 543.023 6.217 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865691225 NCHDSCMKFNIYJX-XMMPIXPASA-N 525.406 6.085 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865695641 FMTHUYQTHGCMRO-DEOSSOPVSA-N 573.447 5.610 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1865695750 SHKMOXMSNXOHMO-RUZDIDTESA-N 564.995 7.018 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696234 YPSWQXFBMYIOFR-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697068 WDBSYYGMINAXFD-HSZRJFAPSA-N 563.839 5.947 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700659 AKZSMBHYQXTZEG-SFHVURJKSA-N 564.665 5.927 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701488 WTPSBQVHMCQHHH-HHHXNRCGSA-N 561.469 6.937 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702820 FZKNHSPLSGCEDK-AREMUKBSSA-N 531.443 6.598 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703404 VGNWGMAKBNIPBF-HKBQPEDESA-N 570.649 6.662 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865704880 GWWFVKHLWFKXBS-RUZDIDTESA-N 575.452 6.713 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1OCc1cccc(C)c1 1865705811 GMLMGMGOHMHWKW-XMMPIXPASA-N 546.549 6.064 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866635818 YHNXDGMXIAZDTN-NRFANRHFSA-N 577.713 5.017 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(C(C)C)n1 1868231790 RZXTYWVXPCTJIB-GDLZYMKVSA-N 507.663 7.077 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)n1 1868231834 TVVMWRSWZCGTTI-UHFFFAOYSA-N 522.678 7.036 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 1868277900 LVTYGIFGTIPDAD-SSEXGKCCSA-N 508.695 7.521 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456106 KBQRSVAXLNBZBO-JGCGQSQUSA-N 559.670 7.760 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)n2)c1 1868505256 DZDRBDPKRQPWLJ-AREMUKBSSA-N 563.727 7.277 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 1872744219 JETNHLVPQDCKFZ-RFBIWTDZSA-N 505.599 6.161 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872757393 DASDMTMULNNEDB-WWZKGXQDSA-N 507.999 5.976 50 10 KKGE Cl[C@H](c1sc(Br)cc1Br)c1c(Br)cccc1Br 1922894362 LAUMXKCIMBYYKU-JTQLQIEISA-N 524.297 7.126 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)o1 1923067872 JXKUZBWPOIYVTL-LURJTMIESA-N 503.359 7.023 50 10 KKGE CCCCC1CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924602250 UYFJFHZBUDINEG-CBINBANVSA-N 552.008 8.468 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@@H]2CO3)c1Br 1924616268 NCKUKYKAVKQTTF-AYHNYZOXSA-N 523.910 6.287 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1cccc(Br)c1Br 2031483185 ATNPHPSUYKDITQ-UHFFFAOYSA-N 505.914 6.576 50 10 KKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=CC(Br)=Cc1ccccc1 2053471770 XRXJDTNHFBYTLP-UHFFFAOYSA-N 505.488 5.461 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCCC2)c1Br 2079392997 OAQUEUWHNYLFNT-QXFUBDJGSA-N 521.938 7.298 50 10 KKGE CCCCCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494480 CQTDOYUGFSHBKG-SNVBAGLBSA-N 526.332 7.987 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467995 FREQVYVPHOMBMY-JTQLQIEISA-N 645.603 7.885 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2141474265 YPNGIHYAPLDGJJ-YCTVFWEXSA-N 578.762 7.075 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3csc(Br)c3Br)c(Cl)cc2N1 2150344583 NUMCNBQSGPKIPB-LLVKDONJSA-N 500.437 5.905 50 10 KKGE Brc1cc([C@H](Br)Cc2ccc3c(c2)CCO3)ccc1I 2168660199 LIRDIRADIJFASI-CYBMUJFWSA-N 507.991 5.667 50 10 KKGE BrC[C@H](Cc1ccccc1Br)Cc1cc(Br)ccc1Br 2175146931 IZIUUASQKFPRGL-LLVKDONJSA-N 525.904 6.770 50 10 KKGE COc1cc(C)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 2198733919 BISBZNGHKXQOJL-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206396732 AKVGZJGZRROCPW-NSHDSACASA-N 598.699 7.499 50 10 KKGE O=C(c1cc(I)ccc1Br)N1CCCC[C@H]1CCCBr 2206675775 WKHOWCVLEDYMLZ-LBPRGKRZSA-N 515.027 5.224 50 10 KKGE Clc1cc([C@H](Cl)c2ccc(Br)cc2I)c(Cl)c(Cl)c1Cl 2207275064 IFIGTRVGZRBYAH-SNVBAGLBSA-N 545.256 7.996 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)c(Br)s1 2213637131 RQCDFICNCQVKQR-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)c(Cl)c1Cl 2232514406 UYELOJHOBUMWIV-NSHDSACASA-N 589.707 8.105 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC2(CCC2)C1 2236517959 KBOHBRRFGSSFNW-ZDUSSCGKSA-N 550.354 7.987 50 10 KKGE Cn1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2263510303 RRHXGALBWYJZKA-JTQLQIEISA-N 501.842 5.386 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(F)cc1Br 2267218141 QRJKWOWZHOONPC-VIFPVBQESA-N 560.277 7.405 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc(C2CCC2)s1 2271973457 SZXCLGHQMDGTMF-OAHLLOKOSA-N 512.048 6.867 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1Cl 2283576533 HUQSLSGPRGOKTL-LLVKDONJSA-N 512.346 6.967 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 2297708362 ZJBBMDKZXIRIAQ-UHFFFAOYSA-N 529.390 5.864 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2299531291 UWJNJQUPZVZELG-KRWDZBQOSA-N 595.976 8.099 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 2313518447 DGURHKHWAJTHCK-UHFFFAOYSA-N 570.281 6.413 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Cl 2313521332 HAYDLNYTXHPBHV-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521334 HKJQBIPAPRCGQK-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4ccc(Cl)cc4Cl)c3C)sc3c2CCCC3)cc1 2313564974 JSGWIARPRWFDSQ-UHFFFAOYSA-N 560.550 8.966 50 10 KKGE N#CC(=Cc1cc(Br)cc(I)c1O)C(=O)Nc1cccc(Cl)c1Cl 2313570949 JVBFQIBKZNEIQX-UHFFFAOYSA-N 537.966 5.612 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2ccc(I)cc2)cs1 2314488843 PLPYCPHQHVYINV-UHFFFAOYSA-N 590.877 7.985 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591708 BONNJHIABHZPAD-RUZDIDTESA-N 502.039 6.276 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593106 HNWJDXDFFJKZES-VWLOTQADSA-N 502.039 6.528 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593968 WOWFKDPBJRSLGK-SKCUWOTOSA-N 509.675 6.170 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OC)c1 2314736895 ADVLTMPMNURWCQ-UHFFFAOYSA-N 553.609 6.417 50 10 KKGE N#CC(=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 2331259968 APUWVKKYWAAJJH-UHFFFAOYSA-N 519.264 7.560 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 2331402811 UNOZBOVPRRWUBE-OAQYLSRUSA-N 501.652 6.624 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(I)c2)c1Br 2337088195 JGMPVBRHMRJZDV-LLVKDONJSA-N 583.258 7.093 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1C 2360417005 DMTWVYHGKIAQSP-LLVKDONJSA-N 525.890 7.820 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Cl)sc2Cl)c1Br 2365187725 CZIZEVWKCYWJRM-SNVBAGLBSA-N 523.899 7.381 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Cl)cc2I)c(F)c1Cl 2365597981 MHWPXKWXFQIZLG-LLVKDONJSA-N 512.346 6.967 50 10 KKGE BrCC(CBr)(Cc1ccc(I)c(Br)c1)C1CCCCC1 2377264990 ZLKVIUDIMLIGNK-UHFFFAOYSA-N 578.952 6.953 50 10 KKGE C=CCC1(CBr)CCN(Cc2ccc(I)c(Br)c2)CC1 2377312739 AWUCIXIYPVQUPL-UHFFFAOYSA-N 513.055 5.607 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C\C=C3/N(C)c4ccccc4C3(C)C)c2C)c1 6183069 SBCORFPXYNZTNE-WZGNTZFMSA-N 537.616 5.612 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 10683710 DHSFQBIPPWJFIN-LAUBAEHRSA-N 505.453 5.470 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C 29491189 FXUPAIDMRIIWKV-XLNRJJMWSA-N 579.458 5.645 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1OCc1ccccc1 33358653 MWIKAIOLBOHQSX-OHUYPAJKSA-N 571.102 6.568 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)n2)cc1 33568803 YXAWPVYPQKRUFB-MTCCXWIASA-N 522.677 8.538 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679995 CJHBGZRJTIILPO-OYLFLEFRSA-N 509.389 6.147 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 40812705 NAFMJBMRDBZSGA-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813000 JCEDRNZTMYICIC-ZSRJEKJFSA-N 504.518 5.087 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822759 HFWUERQLMKRZQI-MHTZHOPKSA-N 507.590 6.376 50 10 KKGE CC(C)c1ccc(N(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 58993493 HUKYVRZWVXKQGB-UCMJSZAQSA-N 576.118 6.388 50 10 KKGE Cc1ccc(N[C@@H](NC(=O)[C@@H](C#N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)cc1 97983093 ITOZWTVMTPIRSL-PXJZQJOASA-O 581.891 6.106 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100151928 NOFNYGBLFMQBNS-UHFFFAOYSA-N 560.720 5.611 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 100228439 YMWJMZJIJNRWIG-YBFXNURJSA-N 569.355 5.723 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1 100360500 CNNPYDDQXQTWHM-LDADJPATSA-N 542.227 6.345 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1 100452671 LQWVYIYZCAFUSG-RJNBOEKGSA-N 546.259 5.755 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 101022091 KHJLDCWBSYNCJQ-GHRIWEEISA-N 537.424 7.704 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 101336713 FLZIGPLIGYYJGV-XICOUIIWSA-N 616.677 7.657 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101337737 LKHKFTHOIMQONM-UMBPSLTKSA-N 608.673 7.611 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCCC(C)C)c(OC)c1 101368472 UQAFNILNYRYEIK-HKBQPEDESA-N 556.659 6.736 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1 101369428 FEHLWPJAWNCPCT-WJOKGBTCSA-N 532.596 7.095 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1 101378133 SHKOBRNJYBAHIA-PMERELPUSA-N 531.052 7.055 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380825 CDZHVCRYPCQUOQ-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc([N+](=O)[O-])cc5)ccc43)c2)cc1 101382070 FLSWHSRITKOPOI-LJAQVGFWSA-N 533.540 5.920 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101383095 DTTDSCNCAVICBJ-PMERELPUSA-N 573.432 6.775 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384211 PQPCRNCTVNRRNC-HKBQPEDESA-N 552.558 5.616 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386043 LVSDKUZXSIVHNW-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386247 XGAYPBAGMVBWDK-XIFFEERXSA-N 611.094 7.544 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101386503 AHMJOLBOHCNRFD-PMERELPUSA-N 536.559 6.159 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101397074 CBWDCYDCVILNBH-QFIPXVFZSA-N 537.424 7.044 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597274 LWPSFMQVELJWGQ-HMZBKAONSA-N 536.588 5.809 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 102136881 VGWAULZQCZITFB-STZFKDTASA-N 529.530 5.070 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742858 OHXIRQRKXZMVKX-QPQMVVSWSA-N 563.433 5.731 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc(C)c1 103796216 XLFSUAVBABELPO-SBWWSWLISA-N 583.732 8.231 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 103876948 LGJALDHSSDBDTE-KPGMTVGESA-N 576.878 7.599 50 10 KKGE Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)c1 103880622 QAYDGEUQQHFJRW-XICOUIIWSA-N 625.510 7.709 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 104768521 LCUHAWJZBSGJPT-RWPZCVJISA-N 615.351 5.526 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 104768811 UDNNGFDJMSSSHC-KVQDIILNSA-N 575.738 6.654 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433353 SFUWUNRCJZSUBO-PSXMRANNSA-N 651.546 8.491 50 10 KKGE O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(c1ccc(SSc3ccc(N4C(=O)c5ccc(C(=O)Nc6nccs6)cc5C4=O)cc3)cc1)C2=O 164239613 VHGUTSHZHXLUIZ-UHFFFAOYSA-N 760.860 7.505 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682110 MYCARRQNTBVVPF-UKEVNPHNSA-N 521.295 9.920 50 10 KKGE CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC 205417982 KBIIPAPVKFNOGB-ONWQVLJASA-N 611.392 11.975 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCC(C)C 205776244 ZJCSDHYFGJDXEA-RELXFMCYSA-N 646.769 5.799 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214385606 YGYNMXQNFHOICA-GTWSWNCMSA-N 614.702 7.020 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)cc1Br 235821593 KGUVXNWFSDMLPC-CQSZACIVSA-N 532.295 7.420 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498454 PDBJUWKMSORENK-SVKKAUDNSA-N 658.644 10.881 50 10 KKGE biogenic O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254493900 SJSZWDWCTUOEKU-UHFFFAOYSA-N 627.726 6.683 50 10 KKGE O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NN=C/C(Cl)=C/c1ccccc1 254794753 KHAZEJDVGCIJDN-YDMFCBSZSA-N 511.097 6.458 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nnc2-c2ccccc2)cc1 254816453 PLUVNQHXHHKIIK-UHFFFAOYSA-N 527.653 6.792 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254833045 CYBBSMXHSBAXRD-MRCMVAADSA-N 653.352 6.414 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2ccc(F)cc2)[C@H](CC[C@@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 256012286 XXMINDVVBVJXLN-FBBJYXRJSA-N 716.974 10.041 50 10 KKGE in-vitro CCCCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OCC 256028366 HLYUTBNWVVGVFX-UHFFFAOYSA-N 563.543 6.178 50 10 KKGE CC(C)O[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOc1ccc([P@](=O)(OC(C)C)c3ccccc3)cc1OCCOCCO2 334162566 PYPYLMMGDZOGCY-DKSDCYBHSA-N 724.724 6.257 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)c1F 398592707 PZSSWICDEMJTBF-NSHDSACASA-N 540.342 6.609 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC(=S)Oc2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 575627378 SWCSKDJCJJBGIZ-WIFPECABSA-N 736.963 7.995 50 10 KKGE in-vitro CC(C)(C)C(=O)O[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590515 SAHJWPXTHJECLJ-UPYFENACSA-N 755.034 6.751 50 10 KKGE Cl[C@@H](c1cc(I)cc2c1OCC2)c1scc(Br)c1Br 705447687 KBZNISQDLKHWLE-NSHDSACASA-N 534.438 6.141 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1 725238327 RSWCJAGUSCXDRW-VWLOTQADSA-N 541.079 7.574 50 10 KKGE O=C(NCc1ccc(F)cc1)OC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238541 MIANWEQOQUQJDT-RUZDIDTESA-N 539.028 6.919 50 10 KKGE CCOc1ccc(Cl)cc1C=NNC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 1081105043 KZHYCRWQRUCWFB-UHFFFAOYSA-N 511.434 7.023 50 10 KKGE COc1ccc(CSCC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)cc1 1083891759 MWOFMEGGTCXKBF-FSGGQHMVSA-N 532.109 6.949 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)cc1 1083984755 BKUJRRNCLYWAGE-UHFFFAOYSA-N 515.433 5.457 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 1084119072 LGJALDHSSDBDTE-UHFFFAOYSA-N 576.878 7.599 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1 1084122555 IXKPUHWYGPETFO-UHFFFAOYSA-N 585.469 5.066 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2c(c1)OCO2 1084220074 NNCKAZYOXPDLAZ-AREMUKBSSA-N 516.594 5.085 50 10 KKGE CC(CCc1ccccc1)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 1084245744 DWEJTFFHCZDYLL-UHFFFAOYSA-N 518.466 5.698 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 1084323612 FVGMRMXHELFXFM-DEOSSOPVSA-N 702.302 5.977 50 10 KKGE O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084343240 ULODATVEGTZQHX-UHFFFAOYSA-N 545.639 5.437 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1F 1084376429 CXEJKGGVFPTUPB-UHFFFAOYSA-N 573.668 7.672 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)ccc1OCc1c(F)cccc1Cl 1084556848 BVWHZHIKGVVOIN-UHFFFAOYSA-N 590.051 6.547 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084596040 PXVZYEXGMOPQMV-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653099 DKZXUIGSESDDDS-MEGAJRBHSA-N 598.090 7.786 50 10 KKGE COc1ccc2c(c1)C(=NNC(=O)CCCCCCCCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(OC)cc31)C(=O)N2CC(C)C 1772720175 FGWZRKJXIPGLTI-UHFFFAOYSA-N 660.816 5.171 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c(Br)c1 1772751886 PBSZMIXSMQSLPW-UHFFFAOYSA-N 562.464 6.674 50 10 KKGE CC(C)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 1772752437 MDRHOJGLCGPMSS-UHFFFAOYSA-N 540.845 5.672 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1772760615 YICZVPYBMQTKNW-UHFFFAOYSA-N 594.318 6.462 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865682991 CMTNPHDTAQRPMW-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689862 XVCVYWVQJCINFX-SFHVURJKSA-N 536.213 5.436 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690206 LKWHBVTUGYORBB-RUZDIDTESA-N 531.443 7.243 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865691285 OMSKUZUQOFWDNI-LJAQVGFWSA-N 534.660 6.621 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865692290 ARAJCTNCULIGSL-WJOKGBTCSA-N 554.650 7.044 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700788 DKXZMMCNYQKQKX-HKBQPEDESA-N 577.084 7.437 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 1865701303 RVDHHPCWRACGOE-LJAQVGFWSA-N 541.051 6.316 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703721 CYISZWBGHXLLQM-MHZLTWQESA-N 529.015 6.474 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704809 FGKAYBILIXTCHL-QFIPXVFZSA-N 550.924 6.041 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OC(=O)c1ccccc1 1865704865 GLVDZNAWMGNHGH-NDEPHWFRSA-N 520.589 5.303 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865706703 CVVZOCFDZZQZPM-NDEPHWFRSA-N 528.031 6.277 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709729 FMHCZFHEVMHOSX-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129376 QAVWWKCLBNTTKA-LFIBNONCSA-N 526.368 5.808 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866725836 VNHWUDUFKISXTQ-URLMMPGGSA-N 543.758 6.817 50 10 KKGE CC(C)[C@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866750681 MUNRHUITWQIIEY-IZZNHLLZSA-N 524.061 6.548 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CC2)sc1C 1868456673 SVSSBIPQPYCMFE-UHFFFAOYSA-N 516.671 7.057 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cc(C)ccc5C)cs4)cc3C2=O)cc1 1872749705 DFMXNQRWLLLDCU-RFBIWTDZSA-N 521.598 6.182 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872791249 AZGXGLIWMQPJDS-OEAKJJBVSA-N 512.631 7.178 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1873921162 XRLCXECDTLWKPO-ATHPHSJWSA-N 503.580 5.331 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C2(CCl)CCC2)cc1Br 1915765410 JCCHCOQRQGAVEZ-UHFFFAOYSA-N 521.702 5.872 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cccc(Br)c1Br 1916394801 PFPQQUYUQMGHGH-CQSZACIVSA-N 520.059 5.264 50 10 KKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)nc1 1918159435 IHPPDEXHDXUYSK-GFCCVEGCSA-N 501.387 5.781 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1csc(I)c1 1923071501 JETXZLMIMZRGIL-ZCFIWIBFSA-N 577.326 7.077 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593243 CRVDQNXMALWQCG-VIFPVBQESA-N 582.775 7.591 50 10 KKGE Clc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924593299 DLGGZORGUOZNDP-SECBINFHSA-N 514.291 7.671 50 10 KKGE Brc1cc([C@@H](Br)Cc2ccccc2I)c(Br)s1 1940446429 ARWQNJNKEBCMTE-VIFPVBQESA-N 550.879 6.556 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)s1 2029232449 IQSIUYMPWGOAEQ-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)s1 2029233141 PGZOCVDHIMWVKH-LBPRGKRZSA-N 504.000 6.301 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2I)cc(I)c1OCC 2040466867 PIVJMIMCWLZEJF-UHFFFAOYSA-N 588.183 5.239 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 2048503520 MCMASYWRLAJBIF-LLVKDONJSA-N 538.324 7.482 50 10 KKGE O=C(CC[C@@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1 2053639032 WRWXMBFQRYDICM-PGUFJCEWSA-N 636.704 7.171 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccsc2Br)c1Br 2085496633 XJFRGVSAQWDPAA-MRVPVSSYSA-N 647.644 8.045 50 10 KKGE CC(C)(C)[C@H]1[C@H](Br)CCN1C(=O)c1cc(I)ccc1Br 2185101210 WUDRUSYHSWKKTK-CHWSQXEVSA-N 515.027 5.078 50 10 KKGE C[C@@H]1OC2(C)CC1([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206394283 FUFQVDRPKLEEDZ-JMFIZIKISA-N 596.777 7.130 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2)c(Cl)c1Cl 2224305335 RNARJGSNQJPTFM-NSHDSACASA-N 508.262 7.656 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1ccc(I)c(Cl)c1 2225635116 STMSSGVDZMRLHK-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE Clc1c(Br)csc1[C@H](Cl)c1c(Br)sc(Br)c1Br 2246465553 BYSQILOYAAOQNY-ZCFIWIBFSA-N 564.771 7.841 50 10 KKGE COc1sc([C@H](Br)c2c(F)cccc2I)cc1Br 2255965940 MGMKESYISLIHMK-NSHDSACASA-N 505.972 5.747 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cccc2I)c(C)c1Br 2255966186 OZLOXUNFPPDFJT-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 2270959070 GSMOOVRRYNELRI-LLVKDONJSA-N 507.900 7.681 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)c(C)c1Br 2282887127 CHROXKFOYCQELC-OAHLLOKOSA-N 576.867 7.056 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Br)cc2)cc1 2293198420 NDUZOJOKJWMBQF-HSZRJFAPSA-N 563.433 5.731 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)c(OC)c1 2294908727 TULSVXUNNRPZLY-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE N#CC(C(=O)NCCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296033237 RMSPYVUZBJYRHN-HEVIKAOCSA-N 793.758 6.779 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 2299530315 KWMYWUKQRKDBHL-QGZVFWFLSA-N 595.976 8.099 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1Br 2312254310 VKIMXZRHFOMABS-VBOXYBSHSA-N 523.910 6.287 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Br)cc1 2313518241 YLRFUXVSJJGKSG-UHFFFAOYSA-N 617.281 6.886 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521500 SGPWWRPZSBXIBY-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1 2313568192 SWTOHFAOEQUNGM-UHFFFAOYSA-N 593.465 5.525 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 2313568558 UQPHSWBJPSTMQA-UHFFFAOYSA-N 550.667 7.842 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 2314616508 CJIIYKPQMQDMSW-UHFFFAOYSA-N 572.621 5.849 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314618017 FXQKVQXKHPBGBW-UHFFFAOYSA-N 508.622 5.483 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314620988 XXULMHAHSDZHRX-UHFFFAOYSA-N 563.057 6.772 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1 2331245945 KVIMUONWIPOHHP-UHFFFAOYSA-N 514.072 6.150 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 2331394536 ROTRHYXSCIKKEL-SANMLTNESA-N 519.626 6.436 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1OC 2331416580 KAEATVIBINYTBK-UHFFFAOYSA-N 509.469 7.313 50 10 KKGE Cc1nc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335356166 NVACRXRHWPNAGO-QMMMGPOBSA-N 512.851 6.907 50 10 KKGE C[C@H]1CCC[C@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2349865388 QPCZAWKARQSUDL-BLLLJJGKSA-N 500.056 6.578 50 10 KKGE O=[N+]([O-])c1sc(CBr)cc1OCc1cc(I)ccc1Br 2367517016 GVZWJKDUVROZRS-UHFFFAOYSA-N 532.979 5.497 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1888946 KWOKMBZJLFCMFB-BSSRNLCFSA-N 506.002 5.264 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950466 GWOLPNYPNGWKAV-SUPJHKBISA-N 500.649 5.527 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650911 TYVZBDUIVSHXQV-SSEXGKCCSA-N 504.542 5.468 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)c(C)c2cc1C 38687159 SCNJFNBYBFUYKE-MUUNZHRXSA-N 506.602 7.093 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(C)c1 58895285 UBHKNJNKNDPGHU-VJRIHLSISA-N 516.638 5.674 50 10 KKGE Cc1cccc(COc2ccc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2I)c1 100145774 WWVSFCDYGMGHGO-PXDDYHHSSA-N 528.390 5.143 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1cccc(Cl)c1)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 100404320 JARDOCYNTMQYJZ-YZRTULSPSA-N 614.554 7.887 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 101012265 NLIMJICKZYIDGC-ITYLOYPMSA-N 528.587 7.112 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101337750 HONODNCDNSUNJF-UMBPSLTKSA-N 625.128 8.125 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 101340132 GZWSVQAFUWZWEQ-WPWMEQJKSA-N 589.608 5.300 50 10 KKGE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccccc1Sc1ccc2c3c(cccc13)C(=O)OC2=O 101350692 INEFWBACSJPZHF-JCMHNJIXSA-N 540.000 6.674 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101360364 WTTTVXWDSXYUKW-HXUWFJFHSA-N 612.724 8.280 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362451 CTEDAQFPZXFVRC-PMERELPUSA-N 549.539 5.376 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCCC(C)C 101368330 VCJUTHZELZLYED-SSEXGKCCSA-N 542.632 5.940 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383926 LTFFBWHRMJVQOW-PMERELPUSA-N 536.559 6.241 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccccc1F 101386833 WCWAMDXMPUDRSV-MGBGTMOVSA-N 580.612 6.233 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387488 FXFDYHSURKBBQF-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101388921 KYHGTBNLAIFOSQ-SSEXGKCCSA-N 605.449 7.548 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1F 101389136 HEINOMGLSIGUIN-GMWXTNTRSA-N 608.666 6.957 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)oc2ccc(Cl)cc12 101393747 OMVCHKQUTRGNMH-GDLZYMKVSA-N 548.982 7.624 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCC(C)C 101395451 HVOXLKUFGLFSJB-AREMUKBSSA-N 561.059 7.035 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 101652289 LKPNLFBMWLTRJQ-WZLQQZPBSA-N 528.992 6.029 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1OC1CCCC1 102327724 JUYMAABTGOFOLQ-CYVLTUHYSA-N 538.651 5.210 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)c1 109562106 SGFWYHKQKUODLY-CLCOLTQESA-N 578.698 5.651 50 10 KKGE O=C(c1ccc([N+](=O)[O-])s1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(Br)cc2s1 139018524 PNGGYUFQWXBLPI-UFWORHAWSA-N 538.386 5.679 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150443359 LTLFSERFOKTCEG-HKBQPEDESA-N 641.120 8.417 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479736 XAGNEXJDZCUTGU-NDEPHWFRSA-N 622.848 7.571 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(Br)c1 150488838 BBMNOIYIMXBSGL-QGZVFWFLSA-N 649.539 7.919 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 150497374 ZRKVCTBEPSXPOK-MUFRIFMGSA-N 641.511 6.580 50 10 KKGE O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150572345 REOMPJDBTXEBFG-IZYHBKOJSA-N 634.357 8.831 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1 161095767 ACWKKJNWLCRQMJ-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(F)cc1Br 236221922 TVSGYIAOWAKANW-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1c(O)ccc2ccccc12 252599746 DLAJEMVZDDVCND-LJQANCHMSA-N 648.530 5.974 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)c(OCC)c3)cc2)cc1 254568039 VMFQVKXXJDDXSQ-UHFFFAOYSA-N 573.671 5.628 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](O)[C@@]3(O)C[C@@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146817 OPJUXNZWUHWYAM-VYINOJFPSA-N 741.200 7.135 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@H](Br)C23CCCCC3)c(I)c1 380605511 OEQVMZSDUFFNFG-QWHCGFSZSA-N 581.457 6.414 50 10 KKGE CNc1nc(O)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]3OCO[Si](C(C)C)(C(C)C)C(C)C)c2n1 616589710 XUDQDXDSYMPKPH-QEXWDLQJSA-N 986.237 10.693 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616589941 QCJSYZSJARHGIB-GJOOVXBSSA-N 620.903 8.306 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616690711 FCDMWJMBIRFEGJ-AREMUKBSSA-N 511.783 6.749 50 10 KKGE C[C@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 725238777 PRNPRFDKTPEMCG-IDISGSTGSA-N 584.138 6.321 50 10 KKGE COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)[C@H](Br)C[C@]34C)[C@H]2C1 1078018322 JYZNDQLCHFXCEM-WWLWBSJTSA-N 561.601 7.083 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)c1 1083956061 TZIBXYGLHGIYGV-GRSHGNNSSA-N 574.700 7.607 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1 1084009797 VLUAYSGLNGHPIU-CIAFOILYSA-N 631.308 7.194 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(F)cc1 1084041529 FSFWFVMYFOEIIE-UHFFFAOYSA-N 558.347 5.918 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OCc1ccc(C)cc1 1084063440 ACIHOUGHFNVXNB-UHFFFAOYSA-N 639.366 5.024 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084169791 IKYSPCWQCZNDSB-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2cc(Cl)ccc2C)cc1 1084252905 MQQMKMJLUPEBOF-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CNc1ccc(I)cc1 1084396578 YISRVTUENMWRAX-UHFFFAOYSA-N 638.598 6.819 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084556826 ZTXXMXJXNHHDPN-DEOSSOPVSA-N 622.887 5.895 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(Br)o2)c(OCc2c(F)cccc2Cl)c1 1084561566 GAASGZYLBRLBAU-UHFFFAOYSA-N 641.925 7.276 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC 1084574495 RBNSOYSEIQRJBV-UHFFFAOYSA-N 542.477 7.106 50 10 KKGE N#C/C(=C/c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 1084620952 MWXYMPHQKRHHHT-JAIQZWGSSA-N 514.379 5.404 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865687618 WBWODEBQKYVCMR-HHHXNRCGSA-N 506.606 6.335 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690582 VSYJVHXJXJTOAN-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1865695922 VOEVFRQEVHJALN-HKBQPEDESA-N 528.612 6.448 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865696745 JYJGRXZAIKRQEI-OAQYLSRUSA-N 516.495 5.495 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865709099 NNWQIQSWRADKCH-LJAQVGFWSA-N 578.673 5.188 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712169 RFBRCKOCKGJPKY-XIFFEERXSA-N 568.677 7.119 50 10 KKGE C[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866567563 PFNAMFPFPMRDNP-MRXNPFEDSA-N 504.662 5.798 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866739468 WDGZRSJBDOEFMX-SVBPBHIXSA-N 503.643 6.203 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1 1868207134 HHFZQJORAFDMOP-UUWRZZSWSA-N 555.707 7.545 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(Cl)cc5)cs4)cc3C2=O)c(C)c1 1872748284 QSDWTBSNCCFSMM-LVWGJNHUSA-N 511.990 6.831 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 1922884772 NKPDIFOUHDAASW-KRWDZBQOSA-N 531.107 7.645 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)ccc1I 1925584867 LNYLRAYBGJVBFP-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCO1 2021893197 JJFMJBLCIKZBFC-KWQFWETISA-N 511.899 6.431 50 10 KKGE C[C@@H](C1CC1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781213 DSKHQROGQFAWRS-IXIIUGLYSA-N 510.289 7.063 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012750 KCNRWKPWPLPNNJ-CIHKXHDBSA-N 686.698 11.661 50 10 KKGE C[C@H]1CCc2c(sc3nc(C(C#N)=Cc4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)nc(O)c23)C1 2053614306 LANQFBZRUUQBKO-SFHVURJKSA-N 547.640 6.210 50 10 KKGE C=C1C(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 2069527025 LKDMRCVDAOOZGO-ZONZVBGPSA-N 587.079 8.443 50 10 KKGE Cc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1I 2083332332 AAWLAONFPNXPGY-ZDUSSCGKSA-N 544.850 6.609 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)ccc2Cl)c1Br 2138851710 PXXZOWNIYXJOKZ-CQSZACIVSA-N 532.295 7.420 50 10 KKGE CCC[C@@H](C(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467758 BUIRPVBHBVKFHL-RTHLEPHNSA-N 540.359 8.089 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2141475177 JWDBVKMHWJGQLW-CPCISQLKSA-N 580.778 7.753 50 10 KKGE CC(C)(C)N(CCCBr)C(=O)c1ccc(Br)cc1I 2142288008 HIMMNFJMZYAQRY-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE CCc1nc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)s1 2169486991 AFUYCDUKCPTLIJ-LLVKDONJSA-N 529.035 5.492 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)sc2Br)[C@H](C)[C@@H](C)N1Cc1ccccc1 2179785105 HURNZOBMNHALIG-RBSFLKMASA-N 536.355 5.078 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2c(Cl)cccc2Br)cc1Br 2202344778 MBTCEVFNOWYHCR-CQSZACIVSA-N 503.843 7.011 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC3(CCCO3)C2)c1Br 2206402983 WGLFDIQKCPLYRW-MIJJTYSQSA-N 596.777 7.132 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csc(Br)c1 2213493905 YKCKFALAFAJKDU-LLVKDONJSA-N 507.842 6.659 50 10 KKGE CCCCOC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2216423045 ZWUMSSMBNDRLTH-SSDOTTSWSA-N 513.915 6.158 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 2218596816 HVPDCCXZYMIBBT-SNVBAGLBSA-N 542.287 7.265 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2224056025 UAJZNWKXJZTREV-SECBINFHSA-N 540.873 7.168 50 10 KKGE Cc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)cc1I 2224621352 BOOCIUAJQIAPKJ-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Cl 2232528459 SMVCQYZCADCHFG-AWEZNQCLSA-N 548.871 7.462 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(Cl)sc(Br)c1Cl 2255900505 HEBHOLHYWZZHPO-QMMMGPOBSA-N 544.836 7.045 50 10 KKGE Cc1cccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277965846 NXKBIMVETQVIDB-AWEZNQCLSA-N 511.877 6.961 50 10 KKGE CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCBr 2294809774 VOCHLJXFJTUNGD-UHFFFAOYSA-N 503.759 5.353 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1Cl 2296506899 KMGFTDBKQKMFKW-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)sc(C)c1C 2296789939 CNKOEJPEBYKBCH-UHFFFAOYSA-N 527.627 6.901 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2297458651 PQEDMIABRXLSED-OAQYLSRUSA-N 587.293 5.547 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2ccc(I)cc2)c1 2299534298 BWOUUZNBZUMQJV-FQEVSTJZSA-N 558.051 7.117 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Cl)cc1I 2303539328 OFKJXWXRVVTTHB-OAHLLOKOSA-N 522.608 5.045 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 2313568450 SPOCSTOCEFRHOI-UHFFFAOYSA-N 544.392 6.878 50 10 KKGE N#CC(=Cc1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571958 PJWQVKUBNLJMEF-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593040 GKHHSMXFUCCSDF-MNNSJKJDSA-N 539.701 6.512 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C(C)=C(C#N)C2=O)cc1 2314619554 BFXRXNPSNZHYDS-UHFFFAOYSA-N 546.602 5.830 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640606 AUVCERGKSCQRPI-HKBQPEDESA-N 569.444 7.409 50 10 KKGE CCCNC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 2314738588 RCCNUVGGGDKCSS-UHFFFAOYSA-N 526.589 5.335 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(Cl)cc2I)cc1Cl 2316775022 OFDRNVDMMBKHIE-LLVKDONJSA-N 540.873 7.215 50 10 KKGE N#CC(=CN(c1ccccc1)c1ccc(N)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324606010 JXYKHKFNTUFKKT-UHFFFAOYSA-N 513.645 5.748 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 2331245744 PGFJIYRBBGVFPR-NRFANRHFSA-N 503.624 5.274 50 10 KKGE COc1ccc(CN2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C)c(C)c5)cs4)cc3C2=O)cc1 2331382327 UQTVJDDWTZVHRO-UHFFFAOYSA-N 521.598 6.182 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1Br 2332686865 AVIDNNCGHPXXAQ-XKSSXDPKSA-N 537.937 6.534 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc2c(cc1Br)OCCC2 2369622379 WBMLCPUBXHYSCT-GFCCVEGCSA-N 501.465 6.736 50 10 KKGE ClCc1cc(Cl)c(OCc2ccc(I)c(Br)c2)c(Cl)c1 2377289451 CWADKNPIQCACIK-UHFFFAOYSA-N 506.392 6.678 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2553729 RJSCHRNBFSMFKA-MTJSOVHGSA-N 520.441 7.165 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc(C(=O)O)c1 4643977 YIMSOAPBPNDHFF-YDZHTSKRSA-N 588.458 5.872 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1Cl)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13563017 RJDMMKWKUGAPRX-ZUGOUDHMSA-N 512.393 6.197 50 10 KKGE CCCCCOc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14035823 USCIHIAUGWKGGN-UHFFFAOYSA-N 501.627 5.880 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1OCc1ccccc1 14648383 VZXGRMATQNLRHW-UHFFFAOYSA-N 525.443 6.062 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 38685233 VZMOIPGOSFZZOO-AFJIDDCJSA-N 512.606 6.019 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 39858644 KRRKVJLTLNWMAM-JXAWBTAJSA-N 515.367 5.357 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3)o2)ccc1Br 58832655 FCBJSXQRFXJVLP-LFIBNONCSA-N 500.190 6.634 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)sc(C)c1C 59333099 RGULPKKDXCCQAN-JJIBRWJFSA-N 516.667 5.205 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1Cl 100226600 NXQIEBXLAFGLNL-MTJSOVHGSA-N 572.830 6.146 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(C)c3)c(I)c2)cc1 100237719 CWQRIDPLWDNLOE-PVYGGJOHSA-N 572.443 5.541 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844232 MHIRQHWURQEYLP-AOZQFMOZSA-N 541.800 5.124 50 10 KKGE C[C@H](NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C)c1ccccc1 100922083 VPSLBEBEEITLMB-OMQYWYNVSA-N 508.092 5.550 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240979 VOEKGRPSBSFWDD-HFVAWESISA-N 516.066 6.206 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240989 DDRNTNDACJHKNM-TUJXDINHSA-N 550.511 6.859 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCCC(C)C 101368359 YMZSUHLSHRIIRA-WJOKGBTCSA-N 556.659 6.592 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 101375268 HSEMTIYHPJWZKU-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1 101377926 MIBBAMYNCCDGIF-MGBGTMOVSA-N 568.714 8.042 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380387 DXBNLRRYAHIGQS-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(F)cc1 101387302 ARSIDJHEHONRNN-JGCGQSQUSA-N 601.030 6.578 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccccc1F 101388827 XQMKIBAEBJPJLC-SSEXGKCCSA-N 615.455 7.003 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397863 PUZZPPJMJZTVTI-SSEXGKCCSA-N 560.537 5.948 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)c(C)c2cc1C 101398097 FRJCGBUNQZETKC-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 102940848 OIBIFPYSVPRTDL-XPIFUUQGSA-N 538.576 5.762 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)c1 104973603 GJRTXVSSXOWLAK-UNOMPAQXSA-N 526.228 6.645 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2s1 110572960 ADEDPBSAIWLWDX-HKOYGPOVSA-N 528.612 7.931 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463858 NEXXZWKKAHIAGR-JGFAXXQYSA-N 648.741 5.253 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1F 150498736 UTACNZMUDZGKSJ-IURWMYGYSA-N 634.980 7.585 50 10 KKGE CCCCCCCCCCCCOC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C 209011002 RJNURICEBYUKHL-UHFFFAOYSA-N 526.593 7.644 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214232852 QUUABPRQTXXAJE-VEILYXNESA-N 522.649 6.357 50 10 KKGE CCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C 219911339 VBYMJFAVOFNETR-UHFFFAOYSA-N 521.096 9.961 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)cc1Br 235812874 USBASNJZRWNKHN-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2I)cc1Br 235974159 IAPBMOFZRXVXQR-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2Br)c1 236067805 LFASEOJFGGNFJS-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624517 CXEJHJXCKOQGRK-OYZDQBCPSA-N 618.771 5.452 50 10 KKGE O=C(O)c1cccc(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cccc(C(=O)O)c5)o4)cc3)o2)c1 254385166 UJQQQFSNCLQKJI-UHFFFAOYSA-N 590.548 5.131 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2OC)cc1 254485987 KTMLQNLYKCFKAD-UHFFFAOYSA-N 552.627 6.355 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccccc1F 254496738 ASSOGTWNHSLILR-HXUWFJFHSA-N 524.625 5.803 50 10 KKGE COc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)cc1COc1ccc(C(=O)OCC(C)C)cc1 254751683 FUYIMKUUZWITQR-UHFFFAOYSA-N 526.589 5.710 50 10 KKGE CCOc1ccc(C2=C(C=NNC(=O)c3ccc([N+](=O)[O-])o3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 254814172 AWYOQFKCQRKCSA-HHHXNRCGSA-N 527.508 6.077 50 10 KKGE COC1=C(c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)cc(OC)nc2OC)C(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)=C[C-](OC)N1 575346848 UNAITKMKKWPCCA-UHFFFAOYSA-N 757.872 8.395 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC)[C@H](OC)[C@@H]1OC(C)=O 575627458 RRWCFRRJDLLSIP-PHFAJRBNSA-N 628.747 5.082 50 10 KKGE C[C@H](C(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)O3)[C@H]21)[C@@H](C)O[Si](C)(C)C(C)(C)C 605694672 ALHDGNSPBBXBJX-XYKNHNSASA-N 981.707 14.369 50 10 KKGE in-vitro Cc1sc([C@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 724983927 MPSHVHIZXAXTCO-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1083902676 GRASRXHGBIWRIJ-DEOSSOPVSA-N 619.143 5.250 50 10 KKGE O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)OC3=O)c1)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O 1084036715 VRGGQBSODOESDI-UHFFFAOYSA-N 608.566 7.258 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 1084332191 DSIITSVSHSTYSG-UHFFFAOYSA-N 571.615 6.511 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccccc1Cl 1084514664 ZQLJLWMDIYPLBB-UHFFFAOYSA-N 503.942 5.537 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br 1565517555 NMECTRQLEPTXBX-UHFFFAOYSA-N 640.531 6.828 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc6c(c5)OCCO6)c(C)c43)coc2c1 1772751996 QANLEHOGQGKNBZ-UHFFFAOYSA-N 527.577 5.374 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 1772760305 ANCATXLLKFJWOL-UHFFFAOYSA-N 502.640 5.690 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686393 UYKXWVCJSYQBQT-QHCPKHFHSA-N 503.389 6.381 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cc(C)ccc1C 1865692476 GIMLEHPNIUTHAW-SANMLTNESA-N 506.606 5.841 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccccc1 1865692872 GKOQZRXPTUYHLW-GDLZYMKVSA-N 541.611 6.130 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865693014 QPMLMQNIXRLMPE-QFIPXVFZSA-N 523.431 5.603 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865697488 UQDMORIGBGCWPM-KRWDZBQOSA-N 569.765 5.932 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)ccc1O 1865706360 USUOMTOTWWZHMU-HSZRJFAPSA-N 502.933 5.323 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865707079 NDVXTRYQFALVQB-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE CC(C)[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866737163 BTBUVFKGZQARRV-UIOOFZCWSA-N 507.606 6.034 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867215588 ZPFKTYHEHHLOCA-AHWVRZQESA-N 580.548 6.527 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H](C)N1c1ccccc1 1868414917 QEQRXJKNXORODX-SFTDATJTSA-N 527.097 7.217 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)nc(-c3ccc(F)cc3)n2)cc1 1868456246 LTZZDTRLKJQTKB-VWLOTQADSA-N 529.644 8.077 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 1872755774 FJSNPJKENMUKAY-ICHPLGEASA-N 516.233 7.692 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 1872792694 LTWWCDGKCJLALQ-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 1907582566 MANNIOQGIYATDI-PGLSMWOHSA-N 509.883 5.897 50 10 KKGE O=S(=O)(c1cc(Br)ccc1Br)N(Cc1ccccc1)[C@H](CCl)C1CC1 1915142582 FAAKPJKFUWPEGA-QGZVFWFLSA-N 507.675 5.420 50 10 KKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Br 1922944445 YVINBWIHCSTVIX-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC3(CCCCC3)C2)c1Br 1924568896 NDAFBCRNZALAKN-SNVBAGLBSA-N 535.965 7.832 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1sc(Br)cc1Br 2003649847 OADLQRTUCYDKFG-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE BrCC(CBr)(Cc1cc(Br)ccc1Br)C1CCC1 2054720681 ZXJUVNOOHCRFIJ-UHFFFAOYSA-N 503.898 6.330 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(Br)c1Br 2082384827 LGBSVNRKPSOENB-JTQLQIEISA-N 538.324 7.482 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2085496318 VVWLVSSDPJEXAC-ZTWFDIKUSA-N 566.751 7.219 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)cc1Br 2113357552 HJOCSINFWUTUIV-CQSZACIVSA-N 518.389 6.592 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)cc2Br)c1Br 2201079704 UIWIHCNRFPJUHV-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE FC(F)c1cscc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396671 ZQBHOWKHSMTHFR-NSHDSACASA-N 574.304 8.064 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(I)ccc2Br)c1C 2218788795 FCYOKMBMXVRMSJ-NSHDSACASA-N 564.906 6.979 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c(C)c1Cl 2224317579 PBFNMFFJQSGNCC-NSHDSACASA-N 552.351 7.790 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(I)c2)c(C)c1Br 2227351477 MNJHDDVQDKFRPP-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 2229148089 QOGFFBHYJGNDKD-SSDOTTSWSA-N 617.220 8.130 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cccc(Br)c1Br 2229151096 IQDRCMAXZQZNMV-GFCCVEGCSA-N 532.295 7.306 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)c(C)cc2Br)c1 2232223772 SBDAQJYMUGWYIX-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1cccc(I)c1 2234072670 ZZCZMNNUTUNRFG-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(I)sn2)c1 2252832848 VDWDCYCGKGMGFI-SECBINFHSA-N 551.867 5.951 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)co2)c(C)c1Br 2258117146 HVZLOAKYUJXCOD-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1 2293198238 MFRPSUDIVXXUBR-QHCPKHFHSA-N 536.426 5.962 50 10 KKGE N#CC(=CNc1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295891398 RALYAUMZKVIVNF-UHFFFAOYSA-N 500.377 6.809 50 10 KKGE C(=C(n1nnnc1-c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2297549132 WMRDMEUKYSZBFP-UHFFFAOYSA-N 509.573 6.290 50 10 KKGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 2313518627 MBJKBWUYLYMUTB-UHFFFAOYSA-N 546.188 6.046 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521424 NGTYDGCAHINLFL-UHFFFAOYSA-N 546.748 6.505 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1F 2313566996 AJOVGYMXFFRPLN-UHFFFAOYSA-N 542.348 5.872 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc([N+](=O)[O-])c1 2313567514 KUARZTOYGPWWNU-UHFFFAOYSA-N 508.578 5.158 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630758 RJDFUUOGOQNZDK-UHFFFAOYSA-N 597.332 7.148 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314492399 SHJZIDGVGNRVOU-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592248 OXZKDATXDIXDEH-GDLZYMKVSA-N 539.701 6.720 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314616503 CESUYWPZYMJTKN-UHFFFAOYSA-N 554.650 6.653 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314616608 FPHHTEGJQKNVGB-UHFFFAOYSA-N 600.719 7.074 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 2314634481 XNLGJVOFWZBMOM-HHHXNRCGSA-N 529.434 6.584 50 10 KKGE Clc1cc(I)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)s1 2316598189 AIRJXPGDDGDPJF-VIFPVBQESA-N 540.873 7.054 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(Br)c1Br 2339645442 IAQUOQZNWQLLDB-MRVPVSSYSA-N 600.765 7.730 50 10 KKGE Cn1cc(I)c(CC(CBr)(CBr)c2cccc(Br)c2)n1 2367586478 MTGQGLUNLVIYTD-UHFFFAOYSA-N 576.896 5.058 50 10 KKGE Brc1cccc([C@H](CI)OCc2ccc(I)c(Br)c2)c1 2377611163 HUEMKWSICSLATK-HNNXBMFYSA-N 621.876 6.509 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccco1 6600524 QDHJUTURHJWBKU-FDAWAROLSA-N 520.626 6.140 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 38658666 DBKZRMXSVQGOBE-SSEXGKCCSA-N 518.569 5.659 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OC 38660231 WWNZMCTVYYMVNJ-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCC(C)C 38684200 LHPNIXOTGQXXEK-LJAQVGFWSA-N 528.605 5.549 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 40910634 ROXXBWQAXAOVJM-KCSSXMTESA-N 507.074 7.162 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 51075717 RADCCKHZCRPGIY-OHUYPAJKSA-N 571.102 6.568 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100082640 WCKCCPBKDJQFDW-UHFFFAOYSA-N 606.123 5.386 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212208 YIKKKOOCRIVRLE-LJQANCHMSA-N 533.422 5.452 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3)cc2Br)cc1 100233724 KWEOHYKCYYIFTE-WYDFGVIMSA-N 541.442 5.399 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1Cl 100454769 DRWSBMGEOBXTPA-KIBLKLHPSA-N 596.619 5.495 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101241588 HTVGEZKYRRUVHD-JSIHEXFSSA-N 500.451 5.845 50 10 KKGE CC(C)c1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101243248 INFFHFSXRAXTPR-LIPCVEQPSA-N 537.729 7.237 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101333326 XRWYTTCNNSNWFN-AJBULDERSA-N 591.111 7.554 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C2=O)cc1 101339966 LFIDANMZKYSIMA-KEIPNQJHSA-N 606.682 6.919 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101374539 NVBFWXFXVZBPJE-NDEPHWFRSA-N 567.469 7.398 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386469 ZIDJUZZQSCTABT-BHVANESWSA-N 629.112 7.883 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 101390849 JJYZBLZGEZSPLO-NDEPHWFRSA-N 543.019 7.319 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OCC 101394161 UNZRYPPYUZZEPV-AREMUKBSSA-N 561.059 7.098 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCC(C)C 101395580 XGLWQGJCLZNBKY-SSEXGKCCSA-N 552.627 6.839 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397865 YAZGBAHEQPKRIJ-LOYHVIPDSA-N 550.542 5.368 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2c1 101397931 ROEVVZLYYRMXAS-YTTGMZPUSA-N 574.608 7.459 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 103742919 ZLSQOXLCMFPOJH-GUNDDFSMSA-N 532.463 6.131 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 103794966 FQYPBGDPQAEZGB-HYOYCYPKSA-N 524.831 6.054 50 10 KKGE CCCCOC(=O)N1C[C@@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1 113689661 AMZTWVMARTWHPA-UVMMSNCQSA-N 553.623 6.632 50 10 KKGE CN(C)[P@@](=O)(Cl)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O1 162440087 RCQVHNTXMQCQLT-JGNHNRRGSA-N 698.160 6.612 50 10 KKGE COC(=O)c1ccc(C)c(NC(=O)c2cc(N3CCC[C@@H](CO[Si](C)(C)C(C)(C)C)C3)ccc2C)c1C 216496851 PCJARQBUUGUZDA-HSZRJFAPSA-N 524.778 6.889 50 10 KKGE Brc1cc([C@H](Br)c2cc(I)ccc2Br)c(Br)s1 232482955 WHSHJMXVSLUBQW-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OC 254310772 WDEAPBYPVDDASZ-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE COc1ccc(C=NNC(=O)C2c3ccccc3Oc3ccccc32)cc1CSc1nc(C)cc(C(F)F)n1 254510021 SPEXFBHPJADAOK-UHFFFAOYSA-N 546.599 6.411 50 10 KKGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254554958 LZGIYZMIUJEOGD-UHFFFAOYSA-N 527.596 5.617 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=C/C=C/c1ccccc1 254761514 BTNLQRFTSSODLN-FCEYSVACSA-N 500.649 5.234 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 254826355 NOHDIBNMFNLOAX-UHFFFAOYSA-N 520.582 5.021 50 10 KKGE CCCOc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254835514 AWFQQTGCBIETTN-UHFFFAOYSA-N 530.628 6.671 50 10 KKGE CC[C@@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019871 JRPIGDSZZWVEGS-YQPCPPDFSA-N 500.113 5.463 50 10 KKGE Cc1cccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1I 308412101 GOQJFNPIGQZYTH-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE C[C@@H](CCc1ccc(O)cc1)N(Cc1ccc(OCc2ccccc2)cc1)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 503904038 XGMOSUNKDJMMOP-LUPQGNFSSA-N 611.899 9.263 50 10 KKGE in-vitro C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)O[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](OC(=O)[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]32)O1 575232025 ALHDGNSPBBXBJX-NWGZDUNDSA-N 981.707 14.369 50 10 KKGE in-vitro CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591389 YXADDVIQROVGOJ-BUPNWXMQSA-N 630.892 6.196 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616679418 VGIOLFYRCUPENG-MUUNZHRXSA-N 511.899 8.178 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)cc1C 1084069241 MKSCANYGXWSVLG-UHFFFAOYSA-N 529.460 5.765 50 10 KKGE CCOc1ccc(N(CC(=O)NN=C(C)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084331540 VTMQSPQZXUBKJU-UHFFFAOYSA-N 564.889 5.237 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 1084554593 ONWJYXLYMGRRSB-ANYBSYGZSA-N 577.644 7.467 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084651409 CAHFABOPZMFAAI-QHCPKHFHSA-N 681.321 5.724 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865689287 OPTVGJNMHSMTID-HXUWFJFHSA-N 553.368 6.273 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)cc1OC 1865690985 GQYLKYDFXZNOCS-QFIPXVFZSA-N 523.431 5.272 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865691223 NBBXDXLZIDKYNA-QFIPXVFZSA-N 523.431 5.603 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1OC 1865697382 QYMJJWPYRTWGNX-HHHXNRCGSA-N 557.050 6.607 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865697429 SGXNLQPDFFGXKI-QFIPXVFZSA-N 553.457 5.603 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 1865701094 LSFJKHWLVGNXDH-AREMUKBSSA-N 577.866 6.402 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703151 OEBZFBYHABSDPZ-SSEXGKCCSA-N 550.659 6.338 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704617 AARLBPYMKROJQS-SANMLTNESA-N 541.007 5.593 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 1865711039 OOLORSZZLGQOJK-QHCPKHFHSA-N 529.424 5.435 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865711942 LTLAOHRMANALPR-IBGZPJMESA-N 555.340 5.501 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 1868320414 JPYVJRVAYXFGQQ-UHFFFAOYSA-N 536.661 7.136 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 1872751542 MOTQUWZBRQTAOZ-OVCMAUDMSA-N 513.525 5.788 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 1872756194 UJUVVDURKWTDCP-ZZNYDNHMSA-N 515.635 6.048 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 1872757944 DKNSDCKXXOMMSR-CNDSNSFTSA-N 501.652 6.406 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1 1872784350 LXWFMAGRGBNFHQ-UDWIEESQSA-N 507.840 7.869 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccccc1 1872790448 JDGREXYOIQADRD-CIAFOILYSA-N 507.442 8.159 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(OC)c3O)n2)cc1Cl 1872793552 GBTYFMVZPJHXLL-UUILKARUSA-N 507.793 6.022 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)c(Br)c(OC)c1OC 1872818202 RTVONVCLHOSVQI-AQTBWJFISA-N 509.328 5.826 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2ccccc2I)c1Br 1922921812 VFQLHLTUBXAVBK-VIFPVBQESA-N 564.906 6.865 50 10 KKGE Cc1cccc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924593106 CFWNMMVMXXPIRR-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE CCCCC1CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924602251 UYFJFHZBUDINEG-RTYFJBAXSA-N 552.008 8.468 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)n1 1924608321 GQSDIVHITLRMSK-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE FC(F)c1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924613240 HLQWTNHJIRJDII-SSDOTTSWSA-N 501.437 7.363 50 10 KKGE Brc1cc([C@@H](Br)c2cscc2OCc2ccccc2)c(Br)s1 1934838665 JSHKQSFGTPRQMT-OAHLLOKOSA-N 523.109 7.398 50 10 KKGE Clc1sc([C@@H](Br)c2cccc(Br)c2Br)cc1Br 1943904530 YORVESIRXZLNMK-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2C[C@H]2C2CC2)c1Br 2141471513 SHKOASWMEIFOLN-HRDYMLBCSA-N 580.778 7.609 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1nn(C)c(Cl)c1Br 2202997135 IOKIDSQAXPEZEG-MRVPVSSYSA-N 507.835 5.745 50 10 KKGE CCC[C@@H](CC(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394125 FAFLXKPULBBABA-VFZGTOFNSA-N 554.386 8.479 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)c(Br)s2)c1C 2213619379 LSZMWPWUIACITD-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE CC[C@@H]1C[C@H](Br)C[C@@H](c2sc(Br)c(Br)c2Br)C1 2216419085 JNGQEWJASRUNSS-FXQIFTODSA-N 509.927 7.093 50 10 KKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2217920617 UBKSPUFULACXOR-IBGZPJMESA-N 514.870 7.330 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(I)c(Br)c2)c1C 2218794215 NVXLCVYYFREACG-LLVKDONJSA-N 564.906 6.979 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)sn2)c(C)c1Br 2220145375 JCFWAVQSNSSJMP-LBPRGKRZSA-N 565.894 6.374 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2229301528 OXIYKYJZORWZMZ-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)c(C)c1Br 2235606708 XLDLLFIQUDGFDA-OAHLLOKOSA-N 576.867 7.056 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)c1 2235610278 QCGUMKDAQTZRKM-INIZCTEOSA-N 525.904 7.384 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CC2(CC(F)(F)C2)C1 2239247510 HJQBQYYTXBBSLH-MRVPVSSYSA-N 513.467 7.578 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)cc2)cs1 2296033265 YGYKXKPERWGWPG-UHFFFAOYSA-N 500.030 5.697 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2297459336 DDCBLDPUIXEGRA-UHFFFAOYSA-N 505.552 5.906 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2csc(Br)c2Br)c1 2299503546 GQXHRVMBHHSURA-MRXNPFEDSA-N 595.976 8.099 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505635 YKRJGZAOHDCFPC-IBGZPJMESA-N 531.107 7.645 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Br)cc1 2313568914 YVIJWNFILSOOFZ-UHFFFAOYSA-N 555.210 5.027 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1 2313570728 DXQWVSASKFKTHC-UHFFFAOYSA-N 658.117 7.494 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cc(Br)ccc1Br 2314452416 NAVMJVFALHGGRL-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Br)cc2)cs1 2314489539 REHZJTNKDKGWJG-UHFFFAOYSA-N 568.434 6.019 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314618090 HCWKBCJGFVUPJI-UHFFFAOYSA-N 595.634 6.445 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OCC)c1OCC 2331250665 RVCVFXLHCVWHKF-UHFFFAOYSA-N 505.423 7.263 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5Cl)cs4)cc3C2=O)c1C 2331266067 VOOXKUOHUBFUNB-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)c(C)c1 2331309119 YKEAVLFDQLORFL-UHFFFAOYSA-N 515.638 7.887 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 2331331986 QVOLXDMACSIVMI-CQSZACIVSA-N 517.876 7.784 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(Cl)s5)cs4)cc3C2=O)c(C)c1 2331400680 IRNUZUQQTFVIHY-UHFFFAOYSA-N 518.019 6.892 50 10 KKGE CC1([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC2(CC(F)(F)C2)C1 2361172750 GABQBXGMDMRFPG-IBGZPJMESA-N 500.221 7.680 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C[C@@H]2C[C@H]2C(F)(F)F)c1Br 2362241681 ZBXFNMLJSLMKFW-KVQBGUIXSA-N 503.353 7.029 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)cc1Br 2365188739 NVWAMLOXHOYURD-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE Fc1ccccc1[C@@H](CBr)OCc1cc(I)ccc1Br 2367601664 LQBOTQOIOXYUFS-OAHLLOKOSA-N 513.970 5.846 50 10 KKGE BrC[C@@H]1CC2(CCCC2)CN1Cc1ccc(I)c(Br)c1 2377343861 OKMIIFZPJDHLMB-ZDUSSCGKSA-N 513.055 5.583 50 10 KKGE BrC[C@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2377355893 XYWUETXOMNPJKU-ZENOOKHLSA-N 513.055 5.582 50 10 KKGE COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(/C=C/c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 20616404 WUMPMFXIFJDDFE-JDWHLAFYSA-N 500.602 6.480 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC)c(OC)c1 38659667 XLKQBHKVBVARIG-MHZLTWQESA-N 500.551 5.320 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815551 KJUUEZCBUSYISB-IWBSIUBASA-N 512.009 6.482 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 40910994 FOOIQFDNRFMHJT-JVWAILMASA-N 505.453 5.853 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc(C)c1 58890202 AHPHBVPHJSLJBG-PVEGLGLCSA-N 511.416 5.309 50 10 KKGE CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 85597995 FYBKUFIZQMYJHP-QENHJSLFSA-N 653.728 10.481 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1 100235674 CTZUERBQZAHUML-ZSYYNXLFSA-N 555.469 5.708 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243441 DTITZBXYNMIWCJ-JHDFWYLBSA-N 574.544 6.876 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101295906 CNJKCAMZLKAWFQ-SANMLTNESA-N 557.400 6.506 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 101377953 VVCXIBKQOFUNRR-DFXYEROKSA-N 544.623 6.766 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1 101378080 SNOJYZLQAYGMSU-JGCGQSQUSA-N 540.660 6.801 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384761 OUUALWGWKBALEU-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386410 MTHNZIAOWLDNAR-PPGPUPIYSA-N 611.094 7.081 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387358 WUBZQORIDPLRBH-HKBQPEDESA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101389643 HLCCCHYGPIWDOS-SSEXGKCCSA-N 554.549 6.380 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399647 XFHPDZYYHMCFOB-UMSFTDKQSA-N 600.671 7.773 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612184 MLHGJQZXFZBBMJ-RDRPBHBLSA-N 565.251 6.145 50 10 KKGE CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)C(=O)C(Cl)Cl 102089845 BZIPOYLBBFMGBV-UHFFFAOYSA-N 542.429 6.046 50 10 KKGE C=CCNc1sc(C(=O)/C(C#N)=C2\Nc3ccccc3S2)c(N)c1C(=O)Nc1ccc(Cl)cc1 102936321 ILFHJTOIOKHEGR-HZHRSRAPSA-N 508.028 5.970 50 10 KKGE O[C@H](CCl)CN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103750013 BLBRFKNWQOPVDU-FZFLATATSA-N 541.558 5.001 50 10 KKGE COc1ccccc1NC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 103871992 IXWQMIQFIWGULE-KCSSXMTESA-N 555.704 6.759 50 10 KKGE CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 150386305 RKUOCPJTMLSLTQ-DEOSSOPVSA-N 652.076 5.306 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl 150388473 WOZYPWPZLVVYBL-UHFFFAOYSA-N 636.149 5.151 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)cc1 150410967 SPOJRWHLUJQIJF-DTNLCIQKSA-N 690.822 6.198 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1 150461659 ICWAZJUQEHDYBI-RUZDIDTESA-N 706.793 8.744 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164616647 SWQMRLVWSBLHFM-IPBVOBEMSA-N 779.992 7.510 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776948 LQUNLPPNHYDQQE-BOBZGOHDSA-N 620.756 5.568 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214327820 DQFWSAPSQWHRBD-QRCUYYNASA-N 536.632 5.406 50 10 KKGE CN1C(=O)C2=C[C@H](Cl)c3c4c5c6c(cc(Cl)c5c5c(Cl)cc(c2c35)C1=O)C(=O)N(C)C(=O)[C@@H]6C=C4Cl 215870008 KOMGUSIHEVWNBZ-UHLUBPPHSA-N 558.204 5.878 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)OCOC 253387341 CNYVTLHDXDAIRZ-DFNTUPNLSA-N 570.975 10.414 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N\NC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530913 DMXPKHGQUDHEGW-WXKBAFLQSA-N 676.210 5.021 50 10 KKGE biogenic CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 254292900 CTSIMRUBRCZMIM-UHFFFAOYSA-N 553.449 7.615 50 10 KKGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 254502018 VVDLZXDMNCOULO-UHFFFAOYSA-N 527.694 6.268 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@H]2O[C@H]2[C@]2(C)[C@H]4[C@@H](C[C@H]32)O[C@]2(OC[C@@H](C)C[C@H]2Br)[C@@H]4C)C1 254578738 IRGXIYGEVPSGHA-NVKZYTODSA-N 551.562 5.725 50 10 KKGE COc1cccc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)c1 254597529 HOUUDOGPXPHYCF-UHFFFAOYSA-N 521.524 5.940 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccs1 254844662 IBFRSGXGFCQJMB-IBGZPJMESA-N 512.664 5.725 50 10 KKGE CC[C@H](C)C(=O)O[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]21 256069044 SQMOQKQEYJNUJJ-YPLUNGLTSA-N 635.047 8.979 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 263625722 GOCXHTUUCSLGDF-UHFFFAOYSA-N 510.590 5.939 50 10 KKGE ClCc1nc2cc(Br)ccc2n1-c1ccc(Br)c(I)c1 380471791 UDUDFPKENIWZNA-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2sccc2I)c1 380678698 FKXVPTMKWQRZCG-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616588645 MHNHIGWCUNOEFZ-AQZMQOMZSA-N 578.822 7.136 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)[C@]2(c4ccccc4-3)c3ccccc3-c3c2ccc2oc4ccccc4c32)cc1 642814175 ODFCIYHLYZSYDR-VZUYHUTRSA-N 590.662 9.688 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1 721594665 QMWHQOJXYLPLIL-CYBMUJFWSA-N 520.817 6.845 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c1 721600298 AABPDWWIMSPKQZ-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)[C@@H]12 725237945 ACGBOECNYDQJMR-YIEFAJJUSA-N 703.137 9.623 50 10 KKGE O=C(N[C@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1)OCc1ccccc1 725237984 BMNMOAFMSDJGMF-GBXCKJPGSA-N 580.028 5.607 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1083940591 GCXYNVWQJFFHAU-VWLOTQADSA-N 647.466 5.540 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1083946159 JCFUVBIURXUYBN-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE CC(=NNC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1083953731 ZURXRDMBMVJHJE-RLPNJSHFSA-N 580.979 7.703 50 10 KKGE CCOc1ccccc1C=NNC(=O)COc1ccc2cc(Br)ccc2c1Br 1083965169 RGMYVJBYBMNXST-UHFFFAOYSA-N 506.194 5.293 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1083996538 QMJVMMFKWJCCGP-XMMPIXPASA-N 753.202 7.144 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 1084026651 XTDNDNGITOQEHT-UHFFFAOYSA-N 554.934 5.003 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084274133 KOPHZPRCCYTFEP-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=NNC(=O)C(=O)Nc3ccccc3Cl)o2)cc1 1084284410 RBPQWHIAPXSDHU-UHFFFAOYSA-N 633.941 6.028 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(C=NNC(=O)c3cc4ccccc4o3)cc2I)cc1 1084286868 FNWJOATYUSIBDD-UHFFFAOYSA-N 619.209 5.841 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 1084612204 CBHAVIWTYBIRSD-UHFFFAOYSA-N 604.798 6.177 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1084617511 WLSVTHYMLXZFJB-UHFFFAOYSA-N 653.466 6.085 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084623229 MFOGZBVARKOFQS-UHFFFAOYSA-N 606.542 5.991 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccccc1F)CCC2 1772743761 HTYZXDUOGONYHQ-UHFFFAOYSA-N 507.871 6.122 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743800 LAZQVOJHMUMGAZ-UHFFFAOYSA-N 547.780 5.569 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772744374 WLNGKZHIBBMMAL-HNNXBMFYSA-N 506.400 5.412 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1C 1772747378 BECZPZVRIAPMAB-UHFFFAOYSA-N 505.618 6.446 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772747757 GFKOGUDMPMBPLQ-UHFFFAOYSA-N 505.578 6.655 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1Cl 1772754886 BVPDLILHFNGMKE-UHFFFAOYSA-N 572.539 7.337 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865687186 LQAASTJZQFVAON-HHHXNRCGSA-N 512.997 5.699 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1cc(Cl)ccc1O 1865689453 SHYQUMAOMWKHAY-OAHLLOKOSA-N 511.685 5.231 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865691782 AXOKPJFTFGCINK-NRFANRHFSA-N 523.431 5.645 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865692598 NSDLRJFDQGDGIN-DEOSSOPVSA-N 569.475 6.191 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2-c1ccc(Br)cc1 1865692843 JPPPLUDIUVXHON-QFIPXVFZSA-N 523.431 5.603 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865697534 VXJMIDHIOQZBDE-HHHXNRCGSA-N 522.605 5.954 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700815 DZTABPWLICWLCV-VWLOTQADSA-N 503.389 6.285 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865701466 WEVGCIMZAOYOPS-GDLZYMKVSA-N 579.487 7.952 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)c1OCc1cccc(C)c1 1865705176 ODGJDUZFHGNFIS-HHHXNRCGSA-N 510.569 5.493 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705789 GAHKYSSEXVMLIS-QHCPKHFHSA-N 545.393 5.243 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865706936 JHIXPLPGSTZEMT-DEOSSOPVSA-N 549.984 6.789 50 10 KKGE CC(C)[C@H](C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 1866991921 PZQBPKRZTCNYQU-BJKOFHAPSA-N 512.462 6.802 50 10 KKGE CCCC[C@@H](NC(=O)/C=C(\CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867115111 VVISILJJXITHQG-JWIKTPOESA-N 530.488 6.138 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)nc(Cc3ccccc3)n2)cc1 1868207393 MBHITUBVEGURSP-UHFFFAOYSA-N 555.151 6.792 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)nc(O)c2cc1OC 1872727560 KBCHNQIIEUJEMB-CAOOACKPSA-N 508.361 6.303 50 10 KKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccccc2Cl)cs1 1872746060 PFOHJSMQOYXCQU-PYCFMQQDSA-N 520.463 6.241 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1 1872749587 YIFOLWSLCQATRI-ATJXCDBQSA-N 500.045 5.896 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCCCNC(=O)c3ccccc3)n2)c1 1872754917 PKVZIKAHUYPSCL-BZZOAKBMSA-N 505.640 6.391 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCc1ccccc1 1872794163 MTLYWPTUNCYGTO-CIAFOILYSA-N 503.023 7.432 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@@H](Br)CCc1ccc(I)c(Br)c1 1893242015 UKJYCVLBQMLPPO-LBPRGKRZSA-N 563.027 5.046 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)cc1 2040466859 OYECEISGWNXCMO-UHFFFAOYSA-N 504.659 8.172 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2040543483 XBWSKTCTPUMMPT-FXZMZVCPSA-N 529.864 6.763 50 10 KKGE FCC12CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2082584573 HTTQGRUUGVKAMH-ARTQYDKTSA-N 527.873 5.990 50 10 KKGE CC(C)(C)C(C)(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470294 GAGUZGPOIGRREI-GFCCVEGCSA-N 584.810 8.245 50 10 KKGE FC(F)C(F)(F)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471456 RSNQWJUFKPWWJY-RXMQYKEDSA-N 556.211 7.307 50 10 KKGE C[C@@H]1OCC[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475202 KBCUPNKKJWXXNA-XLPZGREQSA-N 584.766 6.988 50 10 KKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2179835356 SMYMJSKRDPFYIH-UHFFFAOYSA-N 523.262 5.101 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2229318553 WPBSGHWYYYOEKN-NSHDSACASA-N 661.671 8.353 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1I 2232837795 XLFQKVOMWGZARZ-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1c(Br)sc(Br)c1Br 2277892660 VOQBJJNEQLLMEU-MRVPVSSYSA-N 617.220 8.083 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2285987384 IZYWDQNSJSUCRQ-ZDUSSCGKSA-N 554.248 7.390 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2295178636 HXFPJQYFJOSVTD-UHFFFAOYSA-N 530.968 5.583 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296154722 YCCMXQKKKKEGJN-GOSISDBHSA-N 536.679 7.084 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 2296506722 BVAKQILYKFWWLP-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c1 2296506890 JTJWCCRGXXZMTF-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)cc1 2296721721 GCUZYDFIIDHKHT-UHFFFAOYSA-N 531.366 5.194 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(Cc2cc(Cl)ccc2Cl)cs1 2297490839 GTNUTVOXJFGJJE-UHFFFAOYSA-N 562.450 8.161 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 2313510883 BEFMNWSPLVJJLP-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1 2313511314 ZUVJPWQFAXCZNZ-UHFFFAOYSA-N 512.201 6.336 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1 2313566790 AJGCZVUXTDJDNQ-UHFFFAOYSA-N 546.465 5.601 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1 2313568727 YCJRGBULXVGBKM-UHFFFAOYSA-N 621.373 6.775 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314497196 IQTMXEBCMOUCMF-OAQYLSRUSA-N 527.627 7.269 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592830 CLVHCPQFPAFKNL-VWLOTQADSA-N 570.036 6.664 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592901 DHXGQQHIOKITRZ-MUUNZHRXSA-N 527.690 6.488 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314618771 UDUAGVPPAOYACV-UHFFFAOYSA-N 600.719 6.834 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314618787 UHXXMBXKOFAFSJ-XMMPIXPASA-N 632.746 5.147 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314619007 YBIIUTUIDMFMMW-UHFFFAOYSA-N 559.464 5.709 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314620027 JMKFDRYNCMJQKR-UHFFFAOYSA-N 652.176 6.160 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314640649 HUXNSGSUVQEDPL-UUWRZZSWSA-N 564.726 8.170 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2316727851 YWWZRTXLLWHDQJ-BYPYZUCNSA-N 562.734 6.513 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cccc(Cl)c2Cl)C1 2317150282 CVFZXGCTPMPENU-SFHVURJKSA-N 500.204 5.715 50 10 KKGE N#CC(=C(O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240169 BEYJFMHDNPSWCL-UHFFFAOYSA-N 500.536 5.076 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)n2)cc1 2331245745 PGFJIYRBBGVFPR-OAQYLSRUSA-N 503.624 5.274 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)cc1 2331245894 FWQJACQAAOQHPF-UHFFFAOYSA-N 503.849 7.440 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331403836 METGXXHJUZEZOQ-OYLFLEFRSA-N 501.608 5.939 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c2ccccc12 2331408229 KVLFGXBHLRJCRQ-UHFFFAOYSA-N 511.430 7.931 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccc(C)cc1 2331468617 DUIKCUIXBOJRJI-UHFFFAOYSA-N 510.659 7.786 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340066703 UCZXCGOLQFOCLG-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE CC(C)(C)[C@](C)(CBr)COc1c(Br)cc(Br)cc1Br 2352110470 NUNBQPSRITWLFY-CQSZACIVSA-N 521.913 6.800 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 38604422 BTNCHUMGOGSNAR-JFLMPSFJSA-N 508.622 5.883 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCCC)c2)cc1 38685158 IQFPMJUMIGWFHX-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)c1 40924920 ZRLABUBTHWQILO-CCVNUDIWSA-N 508.068 6.593 50 10 KKGE CCOc1cc(CNNC(=O)CCCCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1 100869672 AHRJUSWOAPWFNX-UHFFFAOYSA-N 582.495 5.178 50 10 KKGE Cc1ccc2cccc(OC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)c2n1 100935325 NYYFKOJSYKQBLM-RYGJVYDSSA-N 546.097 6.134 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 101303430 XMQDPBUNGVMBTM-WPWMEQJKSA-N 516.557 5.490 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101339914 PHCGHXMROKIHAO-STKMKYKTSA-N 600.719 7.299 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101368347 ZPAMJGQFPIWIGG-SONOPUAISA-N 546.595 5.850 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 101373990 JOXSYEFVSGSVED-PMERELPUSA-N 542.632 6.489 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383039 JFEDWQYIWCNXDW-KTBRYMIGSA-N 581.068 7.072 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)c1 101388313 NMBRFVVOTUXYFG-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389469 PHCNYIOUCGGPEW-XIFFEERXSA-N 580.612 6.314 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1 101391203 CUCPVMXAGNZAMB-HXUWFJFHSA-N 562.261 7.952 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c(OC)c1 101392223 DKPCQUPCFHBFDR-RUZDIDTESA-N 561.388 5.958 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)oc2ccc(Br)cc12 101393756 SEWNIXRIWDVPIC-GDLZYMKVSA-N 593.433 7.733 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101396042 BJPYOCZWRPCWMI-VWLOTQADSA-N 531.033 7.089 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3nc4c(s3)CCN(Cc3ccccc3)C4)cc2)cc1 102939580 ZBSDLCMPIIXVCA-UQQQWYQISA-N 534.641 5.775 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 103756541 YVGRKCWHCMIERB-SSZFMOIBSA-N 543.472 7.696 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)C1 110559474 QGXUDZFDRPRSBU-PCCDRTMGSA-N 565.724 6.634 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429083 TWLDOWYYKYJGLG-PMERELPUSA-N 692.020 9.585 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150463263 ZHNAQXKRYAPKCL-JGCGQSQUSA-N 714.429 9.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(C)cc1 150463378 FXZBJAIAUPRRTE-SANMLTNESA-N 638.545 6.481 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479178 NLXKORXWIOOIKY-COLJNIIUSA-N 638.334 8.716 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 150497448 MRRBPBDQESKXKP-SCQQDKAJSA-N 640.743 8.625 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 163796788 QXFAFUGVQHUNKN-WVKHYPTHSA-N 693.439 9.474 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)c(Br)c1 163923526 HCWVAOLEUAKLDQ-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1 164620859 ZQBPOHQXAHBKDZ-KVSWJAHQSA-N 668.123 7.214 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 197462836 PETMXYZSDSIZDB-VCHYOVAHSA-N 557.300 5.759 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 205667800 DSHICXMAVXRVOU-BKCRTMBUSA-N 544.607 6.420 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 205777085 WJACDBCMCPWUEQ-JPXQZSQPSA-N 650.732 5.774 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 206523273 PLGDDHDEUMWTBW-JLPGSUDCSA-N 522.557 5.414 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214332328 ZEWLUFBNNCGDPT-MAGAZJOKSA-N 526.640 6.818 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214379066 CNSCPTQPIOIJLL-UCMJSZAQSA-N 608.673 7.358 50 10 KKGE Clc1cnccc1C[C@@H](Br)c1cc(Br)ccc1I 236036159 OMYWCZVXFQXEBK-LLVKDONJSA-N 501.387 5.781 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)c(I)c1 236243843 PYFNRDSRJHRYND-JTQLQIEISA-N 510.391 6.392 50 10 KKGE CC(=NNC(=O)c1cn(C)c2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 254348717 JCGNZEXMCKVMQZ-UHFFFAOYSA-N 502.390 5.104 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccccc2)cc1 254466733 FXRQJRILIPDTBJ-WBBLWEPESA-N 574.548 6.862 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)cc1 254652474 BBBVIUAOJYFINR-UHFFFAOYSA-N 536.588 5.005 50 10 KKGE Cc1ccc(N=Nc2ccc(O)c(C=NNC(=O)/C(=C\c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)c2)cc1C 254794058 AFDRCSQQCSZDBC-OXGCQPPTSA-N 560.658 6.412 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 254894564 IQHGNILEXDUJCZ-UHFFFAOYSA-N 527.694 6.181 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(I)cc1 381681893 BJXGDHIGABXWBQ-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE CN1C(=O)[C@H](Cc2cc(CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)cc(-c3ccccc3Cl)c2)N[C@@H]1C(C)(C)C 504221779 AOXVANDYHWTODN-BDYUSTAISA-N 595.269 7.748 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 504234544 SJOJREZYJCSYQM-ZJOUEHCJSA-N 504.933 7.587 50 10 KKGE Cc1cc([C@@H](Br)c2scc(Br)c2Br)sc1Br 705411356 WRMJWPGWOCAELC-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707851842 YGDKSJSSFMANGH-HXUWFJFHSA-N 571.890 6.412 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(/C=C/C(=O)OCCc2ccc(O)cc2)cc1O[Si](C)(C)C(C)(C)C 725238983 IHXCBZSTFATTBK-NBVRZTHBSA-N 528.838 7.959 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)cc1 725426552 OOCMGXDGNSRXOA-DEOSSOPVSA-N 622.887 5.895 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 1083922719 VJZSQNDZHNEOCP-UHFFFAOYSA-N 563.709 5.712 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC 1084218631 IVRFONCGBQTZTF-UHFFFAOYSA-N 645.565 5.772 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1 1084294935 VQMXGVFMMHPEQF-OEAKJJBVSA-N 517.412 7.670 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773606 DIMYHZDULFSWLS-LCVLGARSSA-N 641.142 11.150 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743530 FAKRVTVYYURHES-UHFFFAOYSA-N 568.777 6.745 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1F 1772755026 HKFSOCNEAQMYSK-UHFFFAOYSA-N 600.535 6.932 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1C 1772755094 MOVWNWNJHZECOV-UHFFFAOYSA-N 517.676 6.339 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865690810 BPQSTTRKHAQEFL-MUUNZHRXSA-N 518.617 6.007 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865690854 CQNCTVHQMVJOPT-AREMUKBSSA-N 508.553 5.529 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OCC 1865690934 FKFPMAPQNGUCBR-MUUNZHRXSA-N 554.622 6.152 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OC 1865695202 MONQGMTXFUTJPU-RUZDIDTESA-N 551.485 6.383 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OC 1865696184 KPZLJKUJKJJKIR-GDLZYMKVSA-N 568.649 6.542 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCCCc3ccccc3)c(OC)c2)cc1 1865697409 RTXWYZCEVGZCKY-SANMLTNESA-N 576.575 6.138 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702426 AAYOUDQUBWQASH-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703974 JUDDAAMGJLUOCQ-GDLZYMKVSA-N 533.031 7.038 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704240 QZYDRFFFUCFSJV-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707053 MQYSBSHDUZCUGZ-NDEPHWFRSA-N 507.613 5.878 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712291 UZJGDUTZTJMIQU-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714723 OLKXDSSIBHYDAO-OAHLLOKOSA-N 512.231 5.030 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](C)c2ccc(Br)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866942015 HYKDOKRHFKZMRF-NSYGIPOTSA-N 566.477 5.417 50 10 KKGE CC(C)c1ccc([C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866956867 YIAQDNHICSVYKL-VSGBNLITSA-N 517.670 6.628 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C1 1868505578 IQSKKCAYUDQTGI-FQEVSTJZSA-N 523.662 7.198 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)n2)cc1 1868528169 OOWLVSWVDMJXFQ-HHHXNRCGSA-N 548.672 5.805 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OCC)c1 1872755584 VBGXASCBNKWZIT-QQTULTPQSA-N 506.584 6.066 50 10 KKGE Cc1ccc(COc2ccc(/C=C(\C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2)cc1 1872793165 LIEJWEMZYVUWLC-ZXVVBBHZSA-N 500.623 8.554 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccoc1Br 1899850152 UNUOCRNGCIWHCA-QGZVFWFLSA-N 501.012 6.868 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)s1 1922886338 KEFFWDJOQLALRC-ZETCQYMHSA-N 574.777 7.344 50 10 KKGE COc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585838 QXBVBGUHYCFLQH-SECBINFHSA-N 519.878 6.529 50 10 KKGE CC[C@H](C[C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924611617 CWBGCNOVPUOUDR-HTQZYQBOSA-N 525.970 7.934 50 10 KKGE CCCCCCCCC=CCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C 1933278044 LPQFHKYPXYZZOR-UHFFFAOYSA-N 500.913 8.639 50 10 KKGE CCCCCC[C@H](Cl)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCO[Si](C)(C)C 1933278093 PYMYVJXXZGZEFJ-VFFRCKCKSA-N 664.464 11.582 50 10 KKGE CS(=O)(=O)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780661 VYCRLQGOBATPDG-LURJTMIESA-N 578.740 5.217 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1C1CC1 2085492480 LXPYLSVGCAZGGO-MREMCGJQSA-N 522.300 7.063 50 10 KKGE COC1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085496123 VFRIVVHAIMEYEC-REFSAOSRSA-N 526.288 6.442 50 10 KKGE Cc1sccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499898 KYVOYMRJTYHCHZ-JTQLQIEISA-N 582.775 7.591 50 10 KKGE CC(C)(CCF)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500319 NPRYROCUCRBCKL-LLVKDONJSA-N 574.746 7.558 50 10 KKGE Brc1cc([C@H](Br)c2csc(Br)c2Br)cc2c1OCC2 2093942377 QOUYJYOXJFLBSE-JTQLQIEISA-N 531.889 6.455 50 10 KKGE CCC1(C)CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473380 OGZDHPRHMKHIOV-MIJJTYSQSA-N 582.794 7.999 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206393693 AKZBLTSJSDGNGC-NSHDSACASA-N 702.642 8.134 50 10 KKGE Cc1c(F)cccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396401 WGCQSPKKZSUYKJ-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206399670 KHLWDVNIHYNVLX-NSHDSACASA-N 659.605 8.123 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1c(Br)c(Br)cc(Br)c1Br 2207262822 SRSGSTMCYYYFSK-ZDUSSCGKSA-N 723.060 8.432 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1I 2212992565 PEAMVDLULXTVEE-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Brc1cccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222469414 BIYPNWPFDRUCMK-QMMMGPOBSA-N 582.775 7.477 50 10 KKGE FC(F)C1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2232342592 WGCJQFRRTQOVKM-UDSLYJHRSA-N 590.720 7.464 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2I)s1 2233011078 YLADXYDSZYFZRC-ZDUSSCGKSA-N 550.481 6.742 50 10 KKGE C[C@]1(Cn2c(CCl)nc3cc(Br)c(Br)cc32)CCN(Cc2ccccc2)C1 2234064978 HQBJQLRBAKLOJO-NRFANRHFSA-N 511.689 6.212 50 10 KKGE CCCCc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2264362035 VSGRRHSEFPDDLO-HNNXBMFYSA-N 514.064 6.942 50 10 KKGE COc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Cl 2268256487 ZREJJSSGGHYEDO-QMMMGPOBSA-N 554.323 7.182 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1c(Br)cccc1Br 2279041723 LHLZYRKOYJDEHK-CQSZACIVSA-N 503.843 7.011 50 10 KKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1ccccc1Br 2294402155 POKOIKRUFNZWIJ-UHFFFAOYSA-N 518.161 5.187 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 2297565092 AUTPODSUHIKNDA-UHFFFAOYSA-N 517.429 6.731 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Br)cc1 2313565315 MICAZBDCURSZIV-UHFFFAOYSA-N 572.503 6.021 50 10 KKGE Clc1cc(Cl)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314448457 HVPJBFGBCFBACW-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 2314489573 RSRPHPXGFDSAGY-UHFFFAOYSA-N 542.598 5.463 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592824 CJBCLKCMISVRKW-SIBVEZHUSA-N 515.610 5.528 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592940 DTITZBXYNMIWCJ-CCLHPLFOSA-N 574.544 6.876 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593534 OSNWUGDNPOLREW-AFMDSPMNSA-N 549.618 6.571 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314616931 NAHVUTCFDUHFLU-UHFFFAOYSA-N 562.714 7.423 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314616954 NTWWJCSZSRSZJC-UHFFFAOYSA-N 572.621 5.848 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 2314617277 VEFHOHIMRJTRJK-UHFFFAOYSA-N 529.556 5.548 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C(C)=C(C#N)C2=O)cc1OC 2314617443 YMVOXQPQHRYUAA-UHFFFAOYSA-N 602.647 5.163 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634437 SSEXPHGSSSGOTK-HHHXNRCGSA-N 521.400 6.619 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 2314640788 ZMYMLODLZWGSSV-UMSFTDKQSA-N 591.107 8.053 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2cc(Br)cc(Br)c2)C1 2315452302 ATSIEQIDZLCDIB-SFHVURJKSA-N 542.106 5.893 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 2328798620 WLDNFGHRAUHVTA-VWLOTQADSA-N 508.018 5.505 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C)c1-c1ccc(Br)cc1 2329663821 XOGGQVULTDPPHL-UHFFFAOYSA-N 560.267 6.581 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)c(Cl)cc1F 2338721269 XVOMVYZZVFYRIJ-MRVPVSSYSA-N 540.250 5.984 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cnsc2Br)c1Br 2339679463 LWYVDRUWGAUIFC-VIFPVBQESA-N 534.893 6.232 50 10 KKGE Brc1cc(C[C@@H]2CCCCCCCC[C@H]2Br)ccc1I 2377289467 CZMAIOPNBUSWCG-LSDHHAIUSA-N 514.083 7.110 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c(C(C)(C)C)c1 14661728 TXXHJEDQNRKKSU-UHFFFAOYSA-N 507.675 5.640 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c1 38607844 AAGJTLMROUEKEH-OVVQPSECSA-N 506.606 5.863 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 38608475 ZNKSAIXOMKFLRD-MFKUBSTISA-N 527.020 6.419 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651540 DUHPBDHJWQOUPR-VWLOTQADSA-N 505.368 5.214 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OC 38700410 VFXZYBNKFBYQRO-JZNUIYJTSA-N 532.681 6.994 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(Oc2ccccc2)cc1 97984636 BACKFALVKDQNTJ-NKFKGCMQSA-N 536.588 5.854 50 10 KKGE O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100959058 SPQXCEHEJRNDDV-YEKRYRHBSA-N 551.086 5.888 50 10 KKGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc(Br)cc1 101067495 FNBJNGIIALLXRQ-UHFFFAOYSA-N 519.359 5.106 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245728 FRRZLOYCOAPVAQ-UZEPBSNMSA-N 518.038 6.112 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 101339713 QXWHOMFGNVOMGW-JFLMPSFJSA-N 558.594 5.378 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 101340399 ZXWGECDDCKMVQA-CVKSISIWSA-N 548.574 5.488 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101341569 ZNEFMZMYJHOQCG-RUMWWMSVSA-N 630.701 5.599 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OCC 101374063 MPVRXTIRSNJVII-WJOKGBTCSA-N 542.632 6.084 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383162 ROAQTRCRAVCYBZ-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389593 YTJOYFVWDLXSNO-UUWRZZSWSA-N 594.639 6.623 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101393696 FBFVYEGZIYZBED-SANMLTNESA-N 585.468 8.438 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1Cl 101397106 BSWJQKRJLDYNSQ-VWLOTQADSA-N 539.415 6.618 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Cl)cc6c5C)ccc43)cc2)cc1 101397462 TXTFRSRIEMHLHT-HKBQPEDESA-N 577.036 7.719 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Br)cc6c5C)ccc43)cc2)cc1 101397466 XKZQWVXEMOZHDX-HKBQPEDESA-N 621.487 7.829 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1 101398029 CLGIDDCQFURROL-JZZYMGQMSA-N 605.562 8.693 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6cccc(Cl)c6c5Cl)ccc43)c2)cc1 101398194 ZBTBHUDUKNGKTC-MUUNZHRXSA-N 613.522 8.533 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399683 NBVNGHOYWDNJQG-PGUFJCEWSA-N 614.698 8.082 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc(C(F)(F)F)c1 102988761 OKLKVRPUBRLMQA-WQRHYEAKSA-N 537.563 6.534 50 10 KKGE O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103734315 UUZZZGPIAISDNL-NBRFUFBESA-N 535.087 6.182 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 150422082 PJCCFUUYTKAZRY-RQZCQDPDSA-N 627.693 7.775 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 163807488 DLTGAPSBZJPSPM-IZYHBKOJSA-N 734.388 7.891 50 10 KKGE O=C(C/C(=C/c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C/C(=C/c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 195821335 TZPYVXIPRUHANZ-HBNLYWPSSA-N 812.974 11.491 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1cccs1 208577045 SMKNBDWAYINWLL-BWAHOGKJSA-N 516.626 6.403 50 10 KKGE CCO/C(O)=C(/C#N)[C@H](c1ccccc1F)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 212362184 JXNBDZWWPRADRK-KLQZMPGWSA-O 511.371 5.169 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)cc(Br)c2)sc1Br 236068834 OFJGQCVRZXXPFX-JTQLQIEISA-N 524.297 7.173 50 10 KKGE O=C(c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 245297285 SWBJMVQWGWSWFZ-KNQFCDCNSA-N 595.077 6.014 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4cccc5ccccc45)cc3)cc2)cc1 254491528 VXYITIFPTLRUJR-UHFFFAOYSA-N 514.581 6.710 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2OC)cc1 254742410 YLHBVGYVURVUFL-UHFFFAOYSA-N 615.708 5.966 50 10 KKGE C=C(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C#CC(C)(C)OOC(C)(C)CC)OC(=O)C(=C)C 504693392 XSWFWWRZCMSVDA-RYWQFSCWSA-N 576.774 7.801 50 10 KKGE biogenic CC(C)(C)OC(=O)N[C@]1(C(=O)OCCl)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 616579415 ZARJPYZCRFYKMD-HHHXNRCGSA-N 515.006 5.034 50 10 KKGE COc1ccc2c(c1)CC[C@@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237686 LSVALSMVCJWVEA-NTKDMRAZSA-N 537.003 5.762 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 725433724 PNGCDMXWVKVNDP-RUZDIDTESA-N 529.008 5.819 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OCC)cc3)o2)cc1 725443133 DAAINNGEHUWRJH-UHFFFAOYSA-N 589.670 5.176 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1083944715 CLSLGYDNINAOTJ-UHFFFAOYSA-N 565.095 5.492 50 10 KKGE N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083978062 OMPBEMAYDOHQAY-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 1083981447 KNXMDIOYPRATER-UHFFFAOYSA-N 595.220 6.696 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 1084047885 JBCVBQIDGSVELZ-UDWIEESQSA-N 572.830 6.776 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084066112 YJVDEQCLQSMDBE-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2-c2ccccc2)cc1 1084241686 ALWULQYLMCNWAM-DHUJRADRSA-N 615.730 7.351 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084609286 GIQUBXMCJSJSII-UHFFFAOYSA-N 534.046 5.022 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1Cl 1084647528 MBPXPJPGIMOXFX-CIAFOILYSA-N 586.857 7.085 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747239 FPHLAIONAIEFKD-UHFFFAOYSA-N 570.993 7.288 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1cccnc1)CCC2 1772747892 VVRZTNQKQFISCT-UHFFFAOYSA-N 514.969 6.151 50 10 KKGE CCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1OCC 1772755243 WOWJNXUYUONYSZ-UHFFFAOYSA-N 548.528 6.393 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1cccc(OCc2c(Cl)ccc(Cl)c2Cl)c1 1772760505 HJWOLEOXHSMQBN-UHFFFAOYSA-N 519.841 6.345 50 10 KKGE COc1ccc(C(=O)O[C@@H]2CS[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2OC(=S)n2ccnc2)c(OC)c1 1857789805 SQOOKRVFNDLNLM-MJSOWUPRSA-N 662.906 5.336 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683925 QIOFFVTVFYOQKD-VWLOTQADSA-N 512.013 5.545 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCCc1ccccc1 1865687866 BYWJYLOOYRHDPB-DEOSSOPVSA-N 532.522 5.739 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687947 DSBBKCBJPSBSGY-SSEXGKCCSA-N 552.650 6.527 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCCc1ccccc1 1865688759 ZZANPJYCEZXNRH-NDEPHWFRSA-N 527.024 5.742 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865690087 INDRNEMEDBKHTR-HXUWFJFHSA-N 502.924 6.001 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865690830 CCHFXZZWRDJNKE-RUZDIDTESA-N 545.437 6.112 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692274 KTVZIUPGTIMJHU-MUUNZHRXSA-N 530.584 5.936 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCCCc1ccccc1 1865696384 FJJBDFBIWDCDCR-JGCGQSQUSA-N 542.639 6.572 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl 1865702864 HDQHFZCEYGIRGV-MUUNZHRXSA-N 577.468 6.692 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703808 GFYFQNXNLZTTGK-AREMUKBSSA-N 531.443 6.929 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704062 LVIIBYBVYCXOGT-MGBGTMOVSA-N 576.656 7.498 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1 1865705692 CGBDJZNXIHWEHM-DEOSSOPVSA-N 511.969 5.995 50 10 KKGE CCC[C@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866932452 JIRSWZDYDWPBGD-VWLOTQADSA-N 535.044 6.667 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)CC1 1868321102 VKBDVVPQFYNZTJ-UHFFFAOYSA-N 535.677 6.054 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCS[C@@H](c4ccc(OC)cc4)C3)n2)cc1 1868527942 KRPHCITYNGVIDJ-HHHXNRCGSA-N 555.729 7.162 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)ccc3F)n2)cc1OCCC 1872790221 SSZFXVRFNDZGIX-WOJGMQOQSA-N 501.421 7.353 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)c1ncc(I)cc1Br 1888099030 NGEBYATZRCYQMY-UHFFFAOYSA-N 524.038 5.629 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914341876 PUNRAAFPULMXSJ-NSHDSACASA-N 516.082 5.730 50 10 KKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(Br)cc1Br 1915177664 XMUNGYUPHKEQKZ-IBGZPJMESA-N 502.088 6.387 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1924596203 KOOLZSJVXBVZKE-VIFPVBQESA-N 558.742 7.780 50 10 KKGE C[C@H]1OC2(C)CC1([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2038997470 TZNXLHCAUSKFEN-ZHDDEWITSA-N 523.910 6.429 50 10 KKGE Clc1cccc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 2050311995 ACCVJBMGTSHSOM-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)s1 2050465292 SFLACAYQRPEIOF-GFCCVEGCSA-N 504.000 6.301 50 10 KKGE CCOc1ccc(NC(SCC(=O)N[C@@H](C)c2ccccc2)=C(C#N)C(=O)Nc2ccccc2C)cc1 2053622978 YGPKDALKECZGDE-NRFANRHFSA-N 514.651 5.790 50 10 KKGE CC(C)C(C)(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501408 ZGKYNORPEWXOOQ-LBPRGKRZSA-N 570.783 7.855 50 10 KKGE COc1cc2c(cc1Br)nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2137609081 PDIWTGLRRFOGLO-FQEVSTJZSA-N 526.906 7.200 50 10 KKGE Cc1scc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1C 2141469258 UEOBTSXIZBCKFZ-LLVKDONJSA-N 596.802 7.899 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCCCC1 2141478045 VUWDXDFXOQMLSR-CQSZACIVSA-N 538.343 7.987 50 10 KKGE Cc1cc([C@H](Cl)c2ccc(Br)c(C)c2Br)ccc1I 2142104099 SHILJADAECSRJF-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE C[C@H](CCCCCBr)NC(=O)c1ccc(Br)cc1I 2142288081 IOMQLRPQDKADSL-SNVBAGLBSA-N 503.016 5.127 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@@H]2CCCCC[C@@H]12 2206398244 SHJVHOUPNVWWFO-PISXGGPESA-N 550.354 7.843 50 10 KKGE Fc1ccc(F)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400701 DFZYRFINZWUPAY-LLVKDONJSA-N 598.699 7.499 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2218597326 LORYOARAUKCBAE-SECBINFHSA-N 586.738 7.422 50 10 KKGE COc1sc([C@H](Br)c2cc(C)ccc2I)cc1Br 2224056558 YUSOUUSPWFXCMY-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE FC(F)(F)[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2231826504 SNNBOLCSIVUYEQ-BYHIOWSSSA-N 507.391 6.330 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(Br)cc2F)c1 2232220657 VUQBFGMLAGNDHA-CQSZACIVSA-N 518.389 6.639 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2232835896 ZZZMXPXEFOKZHR-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Cc1cc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)sc1Br 2272726646 ASZYMKLOYVUDAJ-SECBINFHSA-N 539.859 7.107 50 10 KKGE COc1c([C@H](Br)c2sccc2I)cc(Br)c2c1CCC2 2284518968 SATZHSVGYHMUMT-ZDUSSCGKSA-N 528.047 6.097 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506951 MQUPOOJTAVIENK-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE N#CC(=Cc1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 2313556193 QFVCEUVVWSZMTD-UHFFFAOYSA-N 516.557 6.074 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2313676579 FVDLDCYMZNTJJG-UHFFFAOYSA-N 512.747 6.135 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)CC1 2314433997 ZKCMGJKFPKHSGO-UHFFFAOYSA-N 576.682 5.673 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1ccc(OCc2ccccc2)cc1Br 2314453195 UIOQRZSIPNTMIC-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE N#CC(=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457703 VQASJVWOMKZVMS-UHFFFAOYSA-N 517.326 7.801 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Br)c1 2314532751 LVRUTIVSCOOSSB-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592621 YRPJUWHOROOGJL-AREMUKBSSA-N 516.066 6.837 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592904 DIJIYJUJNARCRA-QHCPKHFHSA-N 525.552 5.603 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314610617 KGKGEMLMUHLURW-UHFFFAOYSA-N 508.622 5.883 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634833 RUNPPXGYZCNRDH-HHHXNRCGSA-N 521.400 6.619 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2314646651 ICEQTTPWBZPAHA-GOSISDBHSA-N 583.449 5.179 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 2314737892 AWSFBMINLIZSFD-UHFFFAOYSA-N 529.376 5.583 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)n2)c(OCC)c1 2331386458 BDUKCUDOZBWEQV-UHFFFAOYSA-N 517.607 5.809 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)CC1=O 2331391787 DYMCEWCLAQTATH-GOSISDBHSA-N 508.043 6.497 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)co2)c1Br 2339679592 NDRJECIGYHFUCW-LLVKDONJSA-N 517.837 6.368 50 10 KKGE CCCCCOc1ccccc1/C=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 8386680 ZTKUVIIZYAGSGX-VUTHCHCSSA-N 528.074 5.563 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)ccc1OC(=O)c1ccco1 8569244 BDRJYNPCLMFWLX-NRFANRHFSA-N 547.365 5.268 50 10 KKGE CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc(OCC)c1OCC 10039727 SHWGEQWTBUAENJ-OCSSWDANSA-N 527.017 5.888 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)OC)cc2OC)cc1OC 33378113 MHWNWIJOKILUDV-VMTNTFKOSA-N 518.566 5.255 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 38606140 HJPHUPXWYMRCAG-JVWAILMASA-N 524.621 5.121 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3OCCCC)ccc21 38686211 GFCZCXJKFMXFSZ-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(C(C)(C)C)cc3)nc12 39858528 ZQNUGIQTVUTQHE-MNDPQUGUSA-N 512.997 6.292 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CCCC2 39884923 NNQCUZKFLMWEJT-SFQUDFHCSA-N 517.994 6.421 50 10 KKGE O=C(N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1)c1ccccc1Cl 39899601 VSGHOCSHGMBTSN-RPPGKUMJSA-N 500.183 6.130 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3C)o2)ccc1Br 58832537 XIMOEAXJHTWOCU-LFIBNONCSA-N 514.217 6.943 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 58894430 DMNNDDNTDPWXMM-QPQSHVCUSA-N 524.661 6.640 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(C)cc1Br 100185736 XOBZJHJBXDXZNT-UHFFFAOYSA-N 542.268 5.319 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 100883468 VLDNOQKRCNACBJ-XHPQRKPJSA-N 528.587 7.112 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244732 QQUJMAMMHDWTNF-MIXNUDJGSA-N 538.456 6.457 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101307278 QXAQOMZQHJBZMC-RUZDIDTESA-N 553.398 6.013 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C2=O)cc1OC 101339154 YSKZNMMLOMFXBH-WEMUVCOSSA-N 630.745 6.816 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2=O)cc1 101340142 KSHXMBPASYXVFI-MTDXEUNCSA-N 532.575 5.522 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101361639 QYZGLCPRQKTNSX-RUZDIDTESA-N 521.367 5.050 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCCC(C)C 101368328 UCRLVWXMMCSZHL-GDLZYMKVSA-N 549.023 5.976 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368342 MMXZLYZVLLMCMM-YTTGMZPUSA-N 570.686 7.126 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101373852 ZOJFQKGJIWXFGO-LJAQVGFWSA-N 593.474 6.229 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5)ccc43)cc2)cc1 101378485 MCMUVEBWZAYLIT-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380916 OOMULQITZDXTKO-YTTGMZPUSA-N 542.566 6.995 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385453 KJBNBKKHYJYMOE-DHUJRADRSA-N 590.676 6.909 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101390894 HAQPPBKZGMAEJY-XZWHSSHBSA-N 532.552 5.229 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101392773 MGPBSNKSRKBSNE-MHZLTWQESA-N 544.991 6.548 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(C)cc6c5C)ccc43)c2)cc1 101398230 YMFMYIYPIKTAAN-XIFFEERXSA-N 570.645 7.683 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399928 GNDJHLMIUHYFEX-ROJLCIKYSA-N 594.595 5.767 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1OC 101666731 FYAIEZDLJGJRSF-HAVVHWLPSA-N 532.662 7.105 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1c(Cl)ccc(Cl)c1Cl 102007114 OOQPAWWDGGDBSX-IPBVOBEMSA-N 566.919 7.087 50 10 KKGE Cc1ccc(COc2ccc(/C=N\NC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 102291529 QXGWGNVUKXBNOH-HWIUFGAZSA-N 555.700 6.043 50 10 KKGE COc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1OC 102620452 KIPGYSLSLMBGQC-ATVHPVEESA-N 508.024 6.859 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 102848993 KZEPPGUGHCBJCZ-SDXDJHTJSA-N 500.942 5.393 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OCCOC)c1C 102924669 GVWCYAKQZORAMN-GHRIWEEISA-N 527.624 5.145 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)c(Cl)c1Cl 103185443 YPSZQKBOQJQRKQ-CQSZACIVSA-N 525.666 5.134 50 10 KKGE CC(C)(C)c1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 103723303 AKMLENSGVCZLRK-LTYZHWICSA-N 522.305 6.173 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 103795962 AOVKMWPVDGCFCM-JEPNHJGPSA-N 582.473 7.697 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O 103880719 NXSZBJPQAWSJFA-GZIVZEMBSA-N 516.573 5.479 50 10 KKGE Brc1cc([C@@H](Br)c2cccc(I)c2)sc1Br 128206928 VKYPCXJROPLSIL-JTQLQIEISA-N 536.852 6.362 50 10 KKGE Fc1c(F)c(F)c([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 128293593 LUFHOTSZTACHSH-RXMQYKEDSA-N 500.906 6.453 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)cc2)c1 150416274 DTJXWXAKGJLVRI-UHFFFAOYSA-N 690.801 5.761 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442265 DTQPAUBKXWLMTH-WJOKGBTCSA-N 657.575 8.932 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150462001 VXFFSJBEFYNBCS-MUUNZHRXSA-N 663.966 8.886 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)/C1=C\Nc1ccc(-c2ccc(N/C=C3\C(C)=C(C#N)c4nc5ccccc5n4[C@@H]3O)cc2)cc1 156018172 SLFVAYAXFQWWPL-NTSFAYKHSA-N 654.734 7.648 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)ccc1OCC(C)C 205657022 BXQKRSMFSMZLEH-ACWVLAELSA-N 510.590 5.875 50 10 KKGE CCCCC[C@@H](/C=C\[C@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@@H]1CCCCO1 205879442 GGIODFRWUKSMTA-JWXQJSLISA-N 614.940 8.778 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206433989 YMNHFGFZXLQZKJ-SEUFPGFTSA-N 500.551 5.309 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214333914 SFWSCHHLFHBGBJ-QAVZPZIDSA-N 554.650 6.766 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214334509 ILUWXNMXZHMYHH-RQZLTBTFSA-N 542.639 6.600 50 10 KKGE Fc1cccc(C[C@H](Br)c2cc(Br)ccc2I)c1F 236216590 HLSVRGNYORMGME-NSHDSACASA-N 501.934 6.011 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(C)C)[nH]1 253577320 WXRYUQMWQITHQX-BIZUNTBRSA-N 620.828 5.112 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)ccc1C 253622515 NUMVLTTXMWDTRM-AKIWTWRMSA-N 538.773 5.861 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 254307424 BZIJJAJHYOESKA-UHFFFAOYSA-N 565.648 8.293 50 10 KKGE CCCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 300475098 TWCCRQNOPYUIEO-GGZOMVNGSA-N 662.869 5.210 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(I)ccc2Br)c1Br 312324293 YFGISBYUEWYHKF-JTQLQIEISA-N 560.398 7.225 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)cc(Br)c2)c1Br 312395680 PFFJWEJOCAGENH-VIFPVBQESA-N 557.849 7.539 50 10 KKGE CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 504208023 IEJKMUZABMNWPG-DNXFQTIGSA-N 528.059 9.048 50 10 KKGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(CO[Si](C)(C)C(C)(C)C)cc1 504217074 LHOVNDTUHPWXBU-NOCHOARKSA-N 715.968 6.644 50 10 KKGE CCCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2OC(=O)C[C@@H]12)O[Si](C)(C)C(C)(C)C 642881479 FNKWBXQWAOGUTD-YRHIDFQCSA-N 524.935 8.491 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@H]1CCCCO1)O[C@@H]1CCCCO1 642881646 OABDXHJQCAVVLW-KQDIOAGVSA-N 709.075 8.802 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705607877 CBSJFDSAZYQZKI-HXUWFJFHSA-N 524.890 6.570 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817496 HKOFRLLVGWKTHV-SXYSDOLCSA-N 560.801 5.253 50 10 KKGE O=C(CNc1ccc2c(c1)OCO2)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1084018892 BCMPIAVYIAYWGC-UHFFFAOYSA-N 630.120 6.388 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)Nc3cccc4ccccc34)o2)Cc2ccc(Cl)cc2Cl)cc1 1084096990 JQDGHIUWFYNFQE-UHFFFAOYSA-N 649.556 6.528 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2cccc(C(F)(F)F)c2)cc1 1084153345 INFBRUMFMMFXIC-UHFFFAOYSA-N 509.937 5.089 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Br)cc1 1084167733 AJNARGRJQJTKMG-GZTJUZNOSA-N 532.221 6.889 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084250206 QOYNYVRBZQICRX-UHFFFAOYSA-N 581.094 5.110 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl 1084377853 NSHCJCXLFMNULM-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(I)c2)cc1 1084419098 JJZAIFGTTGWLPX-UHFFFAOYSA-N 645.928 8.054 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c2ccccc2cc2ccccc12 1084430719 IYBICSCWECEKGB-NRFANRHFSA-N 520.662 6.014 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084453016 PHFHNNLGMNUVSG-SXGWCWSVSA-N 581.091 7.643 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 1084622687 HZOAUHTXTWLMNZ-XMMPIXPASA-N 590.312 6.153 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Br)CCCC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537078 UAMJDBHGEBLGGF-WDCOCSGZSA-N 579.773 10.898 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772745575 BMDKYTYQLUXIHT-UHFFFAOYSA-N 525.996 7.380 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747023 KEJWNXMHQPMPGV-UHFFFAOYSA-N 514.581 7.098 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCCc1ccccc1 1865688366 QLCPEMHYZWEFNW-DEOSSOPVSA-N 566.967 6.393 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Br)c1O 1865688718 ZAMJEEOIQDERCX-HSZRJFAPSA-N 543.421 5.683 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688747 ZSSQCONMQMTMDA-LJAQVGFWSA-N 536.632 5.682 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689427 RURXDYMFPZLWSA-NDEPHWFRSA-N 575.496 6.915 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865690549 USHWRLJNJFMKRJ-NDEPHWFRSA-N 520.633 6.313 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694836 CWOPMISFESTJEB-AREMUKBSSA-N 500.961 5.830 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695072 JBDMNKHWYWKIQV-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)c(OC(C)C)c(OC)c2)cc1 1865698460 UOVUKAVIAKXUPQ-IBGZPJMESA-N 579.373 5.676 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865706914 IQVNQBUHKSNQJB-DEOSSOPVSA-N 533.415 6.141 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865708845 HFCILYJAMQOPHU-QHCPKHFHSA-N 531.399 5.910 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865711869 JYZRXPGVRFOPEG-QFIPXVFZSA-N 522.483 5.288 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866681043 DDUHDIAKJYEIGL-NDEPHWFRSA-N 552.700 6.429 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866725837 VNHWUDUFKISXTQ-VMPREFPWSA-N 543.758 6.817 50 10 KKGE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141674 SPVVLZYXNYZHAR-FIPFOOKPSA-N 522.070 6.367 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](CC)Cc4cc(OC)ccc43)n2)cc1 1868527500 CKIFNJFEKNBTND-NRFANRHFSA-N 537.689 7.588 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748074 HIJIOLBAEMYJGE-VLGSPTGOSA-N 500.761 5.315 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c[nH]c5ccccc45)cs3)CC2=O)cc1OC 1872753477 ZCYGNWROCYBTGF-DUSVAAGJSA-N 514.607 5.192 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c1 1872755024 VDKOHDKFCNWTGU-FLFQWRMESA-N 517.607 5.952 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1csc(Br)c1Br 1937734950 SOGUCTNCIXKPSB-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE Cc1cc(Br)sc1[C@H](Cl)c1cc(Br)ccc1I 1950207678 JLHFFACOJVHPAG-LLVKDONJSA-N 506.428 6.514 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(CBr)c1)Cc1ccccc1 2009621491 GPRIRAMESFRIQH-UHFFFAOYSA-N 521.908 5.558 50 10 KKGE CC1(C)C[C@H](C[C@@H](Br)c2c(Br)sc(Br)c2Br)CO1 2041483373 RELJLDMXQBCSLJ-NKWVEPMBSA-N 525.926 6.677 50 10 KKGE Cc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc(C(F)(F)F)c1 2079251455 SOPYNGKOSUFMSO-UHFFFAOYSA-N 527.044 5.777 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H](C[C@@H](N)Cc1ccccc1)[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1 2080654195 VNVVGTOBXHFTGX-OIKPOIBNSA-N 539.818 6.331 50 10 KKGE CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C)cc2)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC(C)=O 2080711960 GYVZGKVENVHIIY-RUOAZZEASA-N 650.866 5.184 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2083336351 ZGFYDEKBVHMYKX-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE CC(C)C(C)(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493893 IJVZLVDTQUSACE-GFCCVEGCSA-N 526.332 7.699 50 10 KKGE C[C@@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085496132 VIIHRVMTSWMPOK-QUBYGPBYSA-N 524.316 7.453 50 10 KKGE CC(C)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496936 YTPSIWMRLZWLHB-AXFKMTHZSA-N 524.316 7.309 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1I 2086021805 BVCRBZZUESDMIU-SNVBAGLBSA-N 585.324 7.277 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(CC3CC3)s2)ccc1I 2087645681 KVXSPTFBLBDTLP-OAHLLOKOSA-N 512.048 6.552 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC(F)(F)C1 2132123845 SQAHVMAANFZSQI-KWQFWETISA-N 501.456 7.578 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(I)cc3)cc(Br)c2O1 2146630538 XZXUJVSSROHUPK-PSLIRLAXSA-N 507.991 5.861 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2154374781 ZRVSQOCGQMCMGP-OALUTQOASA-N 514.689 5.477 50 10 KKGE O=C(NCC[C@H]1CCCC[C@@H]1Br)c1ccc(I)c(Br)c1 2179630250 SSQPLIVDBUNGRW-PWSUYJOCSA-N 515.027 5.127 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(F)c1Cl 2201614509 HZIMCGBJQNLUMX-NSHDSACASA-N 556.797 7.076 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC23CCC(CC2)C3)c1Br 2206396611 YXFYJHCWHVEGHL-DYNOMCFFSA-N 594.805 8.143 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398928 AHUBCVKLHSPZOU-UFBFGSQYSA-N 618.805 6.140 50 10 KKGE Clc1cccc(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206404582 BBQRPSCVDMPGEX-NSHDSACASA-N 566.740 7.913 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Cl)c1Cl 2224306328 BRTRGRQZBKWLSF-SFHVURJKSA-N 535.490 8.473 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccccc1OCc1ccccc1 2272726121 JVNHQNWKYHNPDW-IBGZPJMESA-N 502.580 7.397 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(F)c(Br)cc2Cl)s1 2282900608 XXAOXZZEYBMGBB-GFCCVEGCSA-N 507.444 6.696 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198184 GAAPAZQOAGJJRC-HSZRJFAPSA-N 552.881 6.476 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 2294953942 GYZLOIKFCGYKSR-UHFFFAOYSA-N 556.254 6.735 50 10 KKGE Cc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299532310 FTSLZYNZYQTJJN-SFHVURJKSA-N 531.107 7.645 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Br 2303544575 FXBCJMXSDZGCPQ-HNNXBMFYSA-N 520.059 5.312 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N 2313570698 DGKZWSLNNXFPAT-UHFFFAOYSA-N 571.258 7.151 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592078 LLVNUGSRGABLJJ-VWLOTQADSA-N 550.511 7.490 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592543 XCWRVGSCNXIPTG-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE COc1cc([C@H](Br)c2sc(Cl)cc2I)ccc1Br 2316596662 HSAXXWYXWICUDJ-NSHDSACASA-N 522.427 6.262 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2316725869 KQRWGAZVEVTIFU-VKHMYHEASA-N 562.734 6.560 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csnc1Br 2317399875 KPGNQOHWESRNGZ-QMMMGPOBSA-N 522.857 6.362 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2Br)c(I)c1 2317773277 BTZZFADQOKCICC-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE COc1c(Cl)cc(CO[C@@](C)(CI)CNC(=O)OC(C)(C)C)cc1Cl 2317893845 RGMMZZWEPWVZEG-KRWDZBQOSA-N 504.192 5.237 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)nc(O)c2cc1OC 2331044402 CRVPZCGMAZYKNX-SSEXGKCCSA-N 553.622 6.772 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1[N+](=O)[O-] 2331066069 IDXJCHRIIDXYPZ-UHFFFAOYSA-N 504.167 7.307 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC 2331299319 UDTXPHCDAJREED-UHFFFAOYSA-N 503.805 6.749 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3Br)n2)cc1 2331312472 AIDHNQGGGIBPEF-UHFFFAOYSA-N 511.485 7.830 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCCc1ccccc1 2331488576 GOOLNLUAOWWLAZ-UHFFFAOYSA-N 507.442 7.811 50 10 KKGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 6905714 WDMBZAFGOCGMRW-HXYIMWQFSA-N 602.239 5.050 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 38607838 REPLSRJCDIHZOA-YZSQISJMSA-N 508.647 6.186 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)c(C)c2c1 38688286 DUPSTFKOZNWRGR-RUZDIDTESA-N 519.384 7.048 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701241 HPVKOFDXXQXLDB-HHHXNRCGSA-N 508.530 5.409 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1 40825842 DZCFGPLGHYPJDI-IWBSIUBASA-N 510.594 6.038 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 40970946 QAQYHEIKQCCPPV-HSKHQUHESA-N 510.590 5.716 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2Oc2c(cccc2P(c2ccccc2)c2ccccc2)S3)cc1 59303407 XHHIIFRXYVTMIN-UHFFFAOYSA-N 568.618 7.460 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCC 59679993 UGNSGHBADCTNQX-FOKLQQMPSA-N 510.182 5.519 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 96476373 PLFVQVOVDCJHDF-MYYYXRDXSA-N 511.419 7.289 50 10 KKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@@H]2CCCc3ccccc32)cc1 97915112 VUYIECAVJCFEGJ-XRKRLSELSA-N 511.106 6.501 50 10 KKGE C[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Br)/C(=C\c2ccccc2Br)C1 98064682 WSRKTDJYRJVWBN-OUPUAYIOSA-N 512.245 6.787 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1OC 100172250 PPCYQMSLOPHXCT-CAPFRKAQSA-N 540.667 5.457 50 10 KKGE CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSc3ncccn3)cc2)c(OCc2c(F)cccc2Cl)c1 100188484 KGEGGPKAHFGERI-MWBNBJEGSA-N 578.113 6.751 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100232098 HQLSFJYKGBFBJP-XZJBEKIMSA-N 590.312 6.153 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Br)cc1 100238138 ZTUZEDGESPJXMS-QGFINPQDSA-N 581.507 6.128 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 100452882 NJLCTOIYVCHHNU-LKHJKXADSA-N 526.247 6.843 50 10 KKGE CCCCc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 101206910 QMNWUTWMTGQENB-HSZRJFAPSA-N 531.987 7.261 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101307485 VKWIRYQZYITHHA-MUUNZHRXSA-N 557.002 6.714 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 101333716 BGXPDKBOLMUROU-OEAKJJBVSA-N 541.475 7.144 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C2=O)cc1OC 101339279 HPHOHODQCYEPEB-UZWMFBFFSA-N 630.745 6.735 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OCC 101374513 ZEZHNMJUDJNFMQ-XLYKILBFSA-N 559.062 7.145 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1OCC 101374515 FCEOOJYZMVZZOZ-FQUAKNSKSA-N 538.644 6.800 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386881 VISXGZGVCKYDNP-UUWRZZSWSA-N 594.639 6.739 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Oc4ccccc4)c3)sc2c1 101393689 YUPCJSWZGBCDMP-NDEPHWFRSA-N 565.050 8.093 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399401 IJYUQJWOWDCCLL-FIRIVFDPSA-N 580.568 5.377 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 101712133 HIKZEADAVACKOK-NDZAJKAJSA-N 539.470 6.613 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C(=O)OC)c1C 102924481 ZSFZGVCWDULQSV-UKTHLTGXSA-N 522.435 6.427 50 10 KKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 103649630 DWLODBBJRZSJBM-STZFKDTASA-N 528.505 7.936 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 103722571 UVEDSWPBNVLPAP-VBMGMRCRSA-N 548.599 5.367 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 110570344 YHHYMFVUFZTLNX-JCMHNJIXSA-N 528.593 6.842 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481791 VROZCVOGANYFMC-HHHXNRCGSA-N 668.385 9.531 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214227311 RDNNQWURKZCEKL-CEUNXORHSA-N 560.629 6.650 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214336760 XUSALUZJAVPHQU-YGHJMTJHSA-N 528.612 6.210 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214358541 NPRNPQKMKLNCDB-CEUNXORHSA-N 548.687 6.808 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)s1 235812130 ADAVIQWZXKYUJX-NSHDSACASA-N 506.428 6.561 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc(C(C)(C)C)c1O 254289227 DUIPBINEUTXTIN-UHFFFAOYSA-N 528.769 6.373 50 10 KKGE O=C(/C(N=C(Cl)c1ccccc1)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1 254384626 QSDVKZXCQOVQDL-XRAQPDJNSA-N 616.121 6.894 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 254387249 PXDMUXPSTOPURS-UHFFFAOYSA-N 522.601 6.346 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254485820 NDPFBLYOOPYFJI-UHFFFAOYSA-N 517.630 5.622 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccs1 254705947 QZLMYEBYYCKUTO-UHFFFAOYSA-N 500.576 5.562 50 10 KKGE CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)NN=Cc1ccc(OC)c(COc2ccc(Br)cc2)c1 254824014 NKROELDHGRBMTO-UHFFFAOYSA-N 684.514 6.011 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2-c2ccc(Cl)cc2Cl)ccc1OC(C)=O 254872733 WHWRMULWEISIQK-UHFFFAOYSA-N 650.544 6.483 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccc(Br)c1 254874290 JBTDNGHDZLXCRG-HXUWFJFHSA-N 585.531 6.426 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccccc2F)n1-c1ccccc1 254875915 AGQGZKJMJWFLOB-GOSISDBHSA-N 614.488 5.562 50 10 KKGE CC(=O)O[C@@H]1[C@H](O[C@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)[C@@H]1OC(C)=O 616589917 POFJFIPDEIUPPA-PNJAIXPUSA-N 789.121 7.120 50 10 KKGE O=C(N[C@H]1CCCCc2ccccc21)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237263 CBTOBFGOPPFPKI-XUZZJYLKSA-N 521.004 6.664 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725403313 IAVMEASWSDJJTM-YIIWZEITSA-N 560.119 6.727 50 10 KKGE CCCCCC/C=C\CCCCC[C@H](CC(=O)O[C@H](CC(=O)OC(c1ccccc1)c1ccccc1)C[N+](C)(C)C)O[Si](C)(C)C(C)(C)C 888085850 XPHCEWQGXCYRHU-OGNXYWSVSA-N 695.094 10.585 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)cc1 1083850825 FCNGVPRSYLCUGF-AREMUKBSSA-N 525.045 5.989 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1I 1084154830 WPARAECFYJVSIV-UHFFFAOYSA-N 550.183 5.813 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084259722 KKIIWNZWYACVGX-OALUTQOASA-N 675.661 5.616 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084315381 NSVFQGOKURUOSQ-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084359187 QWYHSROVUVIVLP-UHFFFAOYSA-N 564.483 7.558 50 10 KKGE O=C(NN=Cc1cc2ccccc2nc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 1084371275 DRIXHHGDZZOKLV-MHZLTWQESA-N 501.011 5.426 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(C)cc1 1084530471 SXVAFFUSKDPLQD-LPYMAVHISA-N 552.412 6.431 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 1084584605 VBRYWELXHJDDDE-HSZRJFAPSA-N 529.406 5.530 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084592662 KWBVPGOKSPTIQO-KDSXSNECSA-N 554.312 7.010 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(F)cc1 1084627222 RJEGXAYEXJGQDT-UHFFFAOYSA-N 582.075 7.987 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747433 BQUSQRBVNQLCCF-UHFFFAOYSA-N 604.106 8.275 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)COc5ccc(Cl)cc5Cl)c(C)c43)coc2c1 1772751887 CTIAPDQKCBMIJR-UHFFFAOYSA-N 611.482 5.497 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682319 LXGGAHMEZZCPJW-VWLOTQADSA-N 511.025 6.717 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682369 MZARHGUUAMZHNH-QHCPKHFHSA-N 500.942 5.134 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)c1 1865693388 JJJLCARNUPJFII-AREMUKBSSA-N 527.024 6.267 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865694896 FDSUMBWHBVZCNX-RUZDIDTESA-N 546.549 6.064 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865695053 ILEOQIGJFZIJGM-NDEPHWFRSA-N 520.633 6.320 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865697120 NLVDZXHFALBQBT-MHZLTWQESA-N 522.605 5.954 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701128 MNWUPDBFSYAHBH-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865703303 STGJLLAFWMHWJI-NDEPHWFRSA-N 506.606 5.939 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 1865704460 WKTIULDTRITZLJ-RUZDIDTESA-N 534.403 5.688 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705441 VZCOROUPOHHTGY-SANMLTNESA-N 536.588 5.415 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706953 JTPUGWFXENFFTQ-LJAQVGFWSA-N 572.540 7.435 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)cc1OC 1865709097 NNOYNDWUBQVMID-NDEPHWFRSA-N 564.086 5.147 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866646444 RSVBQRWILCDRHV-MHZLTWQESA-N 556.713 6.131 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c2ccccc2)cc1 1866732190 ULTASXYHOYZHPP-YWEHKCAJSA-N 513.619 5.411 50 10 KKGE CC(C)(NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867199669 JHGHLFDQIIPYGW-UHFFFAOYSA-N 531.041 5.647 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)nc(Cc3ccccc3)n2)cc1 1868208168 UNYWFDYHJOQFBF-VWLOTQADSA-N 512.082 7.249 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)n2)cc1 1868320179 DYXYETAOKVXCEY-MHZLTWQESA-N 539.108 6.842 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)C2 1868321104 VRMBDBMKAJLELS-UHFFFAOYSA-N 537.689 7.084 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(C)C)c4ccccc43)n2)cc1 1868527984 LQOSIVHJKSKGPK-UHFFFAOYSA-N 522.678 7.226 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 1872751843 WOMIUHLWHPAZCA-QQTULTPQSA-N 504.612 6.574 50 10 KKGE COc1cc(C)c([C@@H](Br)c2scc(Br)c2Br)cc1Br 1901695765 KKSSMPMZXMZMDJ-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)ccc2F)c1Br 1922897737 PKIHFBGOHBAUEE-JTQLQIEISA-N 521.869 6.967 50 10 KKGE CC[C@H](c1ccccc1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924596480 PBDQMTCNOFVBNL-KOLCDFICSA-N 531.933 7.665 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924613545 JRVXOMBRUBAXGU-BGJNVIQHSA-N 521.938 7.154 50 10 KKGE CCC[C@@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924614625 PPTJNSPLTQNJRS-CBAPKCEASA-N 511.943 7.544 50 10 KKGE Brc1cc([C@@H](Br)Cc2ccccc2I)sc1Br 1940448111 ULNIRMZVJLQTCO-QMMMGPOBSA-N 550.879 6.556 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)s1 1948823580 PKLBFDSSWOYLOV-JTQLQIEISA-N 524.297 7.173 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)COCCO1 2021896060 KTCKBYSZDHRDLH-OIBJUYFYSA-N 513.871 5.277 50 10 KKGE Cc1cc(C)cc([S@](=O)[C@H](c2ccccc2)[C@@H](NC(=O)c2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)c1 2065314098 VKPPNAIHMBOHEZ-JQOVXTAWSA-N 637.785 8.082 50 10 KKGE CCC(F)(F)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492829 SHGKWUKNXMTSLM-ZETCQYMHSA-N 534.258 7.452 50 10 KKGE C[C@@H]1OCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493296 AHGBHKQAHLHJAN-VGIXGZPDSA-N 570.739 6.598 50 10 KKGE Brc1ccc([C@H](Br)CCc2cccc(Br)c2Br)cc1 2113490176 ZMKDBCUPRZBXLH-CYBMUJFWSA-N 511.877 7.043 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141470751 KLNZUXVJBPOWSP-LLVKDONJSA-N 572.769 8.088 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2202912691 WNYCJBLRVNKELY-ZDUSSCGKSA-N 531.839 6.606 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(F)cccc1Br 2225635953 YJQGIXPVIXQUHZ-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)oc1Br 2227346915 GKMOQZZBPXZZOK-CYBMUJFWSA-N 515.865 6.977 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2232174703 CHMSSDXMCQXTDG-LURJTMIESA-N 511.892 6.360 50 10 KKGE C[C@@H](c1cnn(Cc2ccccc2)c1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234058930 RNHDRKQNHHWRIB-ZDUSSCGKSA-N 508.645 6.154 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 2270433827 IMKFUEDQSOZKMS-MRVPVSSYSA-N 576.732 7.966 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(I)c1 2288343920 DCENBLZCGJTPHW-LLVKDONJSA-N 584.793 6.718 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2296025094 KHVPZKILQVZKOA-UHFFFAOYSA-N 544.481 5.806 50 10 KKGE COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC)cc2)cc1 2297021075 BPDKIEKWCSVVBW-VEEOACQBSA-N 548.599 6.342 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)sc2Br)n1C 2300270860 BAFFFFSJRAZOFI-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 2313518074 DWLBLTIQQMQUIN-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545876 MAVALCJSMBQELE-UHFFFAOYSA-N 571.302 6.591 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1 2313565165 WYGOMPVMGUMRKA-UHFFFAOYSA-N 538.648 7.155 50 10 KKGE Cc1cccc(COc2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1 2313566889 CRYNHFRWQTVTKI-UHFFFAOYSA-N 563.439 5.434 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570762 FSKMHVQXHMGGHV-UHFFFAOYSA-N 719.100 7.056 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 2313571477 XGMOVOGDGMLALP-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313621460 WMRMGSRZAJLRSY-UHFFFAOYSA-N 597.716 5.132 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591748 CUCCGBYEHOHOGW-SSEXGKCCSA-N 553.728 7.226 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592962 FDHAFFQMOUSTOP-KMRXNPHXSA-N 509.675 6.115 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314616863 LKFMVMDSVWIPGY-UHFFFAOYSA-N 602.691 6.180 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314640775 XJWARASZNOUCRJ-LJAQVGFWSA-N 515.009 6.746 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Br)s2)c1Br 2315449003 JMMOZHRSUKEMPU-VIFPVBQESA-N 542.287 7.312 50 10 KKGE CCc1cc([C@H](Br)c2c(Br)c(Br)nn2C)sc1Br 2316837330 GFCQODFKTNWOLX-ZETCQYMHSA-N 521.898 5.816 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccnc1 2321681375 ZOXBZKTUOMQMNA-UHFFFAOYSA-N 507.981 5.931 50 10 KKGE Cc1ccc(-c2csc3ncn(CC(=O)NN=Cc4cccc(OCc5ccccc5)c4)c(=O)c23)cc1 2325904674 XAHCOQSUDUGKFU-UHFFFAOYSA-N 508.603 5.163 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)c(Br)c1 2331292765 FBGFAEKASWZYFO-UHFFFAOYSA-N 505.384 7.065 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)c1 2331376603 XILNAVSOUZFYKR-MRXNPFEDSA-N 517.607 5.952 50 10 KKGE BrCC[C@@H]1CCCN(Cc2ccc(I)c(Br)c2)CC1 2349836700 QXLRIAISFFKROU-LBPRGKRZSA-N 501.044 5.441 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362228440 DFRYXWXYPBZLCC-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 2365598461 QPFIZIVIAOBEGR-SNVBAGLBSA-N 545.256 8.043 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2cc(Br)sc2Br)c1 2381249857 NQFKNEJHZGGOPF-LBPRGKRZSA-N 547.932 7.091 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCc1ccco1 35446234 ILTHYDNWWIHAMG-LFVJCYFKSA-N 518.548 6.074 50 10 KKGE N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 35519183 YXJFLPDRZSQXRX-LZYBPNLTSA-N 501.365 6.133 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)oc2c1 38688279 PCAJGHQWMPBINE-XMMPIXPASA-N 505.357 6.794 50 10 KKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c(Oc3ccccc3F)nc12 39992999 BDQKAXNDYXTUHU-FOWTUZBSSA-N 508.431 5.499 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc2ccccc12 58895156 PLIUOVKALLTMAF-KMOQAGLRSA-N 522.645 6.510 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(F)cc1 96936242 MLDGVNFVDHAUAK-JAIQZWGSSA-N 509.375 6.338 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cccc2ccccc12 100419189 SLDVVEFRTJOFFS-RWPZCVJISA-N 582.471 5.076 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246437 MMJXUFRQBGYVJV-KVILUOORSA-N 501.583 5.462 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101334893 OPNQYAXGJKHJDU-MFKUBSTISA-N 535.003 5.994 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373719 VOEMIHANZXMLRC-HKBQPEDESA-N 556.659 6.374 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1 101377888 JASHLODLFHQDII-HKBQPEDESA-N 526.633 6.547 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(Cl)cc5Cl)ccc43)cc2)cc1 101378557 DBLHZOZKIBEQBB-BKXKUFNLSA-N 583.471 7.718 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383759 LRUVLMZPQGHZMB-WJOKGBTCSA-N 550.586 6.224 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386108 BHWCSBPCEHRPQP-AIKJVNBHSA-N 579.052 7.073 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101388844 MWEOTYOELYXFDP-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101394736 OHFUFTIKEPOPNW-MUUNZHRXSA-N 589.113 7.960 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101394981 SWOHXWIBTCXOHT-XMMPIXPASA-N 547.430 6.663 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(F)cc4)c3)oc2c1 101398800 UJXPKRJTHFFAFG-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(I)c1OCc1ccccc1C 101486982 MIULKAAZEMVQPY-JAIQZWGSSA-N 568.367 5.431 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OCC 101870459 JOAKKSQZYDGDPA-XIEYBQDHSA-N 534.052 7.529 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 103796194 OLOIZOUKQUUYMZ-XODNFHPESA-N 553.210 6.172 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(C)cc4)cc3[C@H]3C=CC[C@@H]32)cc1 104369440 CLIJEBWEOAONFS-PUVDFFDCSA-N 539.701 6.382 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccccc4[N+](=O)[O-])cc3)[C@H](c3ccc(OC)cc3)C2)cc1 106110061 HZQQGTYURDCEAU-PLFABGOGSA-N 549.587 5.732 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)N3CCCCC3)c2)C1 110558800 JDHIFVYHWAXWEX-ITZOTHCASA-N 557.720 5.125 50 10 KKGE CCCCC[C@@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920723 OUFIJZVLVZAQTQ-IKJVDZQRSA-N 549.349 10.844 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1 150413061 LIZOXMCJLQJPQD-UHFFFAOYSA-N 673.383 5.537 50 10 KKGE O=C(OC[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150670860 WISFGQOOKBVKPD-LBEKWILNSA-N 659.485 5.640 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Cl)cc1 164610372 GPUHTPUDDQNXHO-ZSNJKBEMSA-N 628.954 8.220 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214290890 RGGBUCDRHCULEC-USHMODERSA-N 552.675 5.901 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214335353 KNGHWCKWGSZISG-PBVDAQANSA-N 556.666 7.072 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccccc2)cc1 254303219 JOAOVYPNIFOUOA-HQYUYLDOSA-N 532.467 5.873 50 10 KKGE Cc1ccsc1C=NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 254304233 FGFRLCDHVSJZDV-RHSMWYFYSA-N 501.456 5.452 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OCc1ccccc1 254386534 JLINQLNEJNZRKZ-UHFFFAOYSA-N 550.640 5.216 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254429821 JSNQIMALWJOMFH-UHFFFAOYSA-N 525.646 5.020 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 254750089 LQDDTMDDROCAMK-UHFFFAOYSA-N 570.605 5.709 50 10 KKGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2c(O)c([N+](=O)[O-])cc3oc4c(c23)CCCC4)cc1OC 254852063 GEBYWPPEWZEQBP-UHFFFAOYSA-N 583.601 5.033 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Cl)cc2Br)[C@@H](CI)C1 394680672 YMJFNWBYNLDOKK-YOEHRIQHSA-N 534.619 5.890 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1 721570703 ATIBGPZLPHHHDT-QGZVFWFLSA-N 508.035 6.737 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 725441686 CVKMXCWWEIWZCQ-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1083915841 AJOITOPUCYRRNV-UHFFFAOYSA-N 502.998 6.634 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084034424 BLNYDYKFLCUKDY-UHFFFAOYSA-N 607.642 6.862 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1084038895 KHEDPEGPQSWMKA-UHFFFAOYSA-N 806.269 9.312 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084041435 NQVMMROGGDZRNF-QHCPKHFHSA-N 580.306 6.698 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084061481 ATJOYJYDLXYTHD-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE C#CCOc1cc(Br)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084249522 SGYICEGADYLPOG-UHFFFAOYSA-N 556.460 6.390 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1 1084301102 CNEUBAYJWXTAKZ-HNNXBMFYSA-N 574.497 6.416 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 1084330656 ZEGBWHAVOAPKRL-UHFFFAOYSA-N 661.543 8.553 50 10 KKGE COc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)c21 1772746034 OPBVOUCMSHNXQW-UHFFFAOYSA-N 509.562 6.112 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(F)cccc1Cl 1772755108 NNBNFTOFGVYTOA-UHFFFAOYSA-N 542.057 6.433 50 10 KKGE C[C@@H](CCCO[S@@](=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]21C 1848432746 WSBINBUDUYSHJN-LMEVIIRYSA-N 599.010 10.112 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684680 VSTNYNRJTDCVBW-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)cc1 1865687832 BEARDFWENMJZLV-HHHXNRCGSA-N 519.004 6.632 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OCC 1865689111 JXZBPSDNDKLZGH-SANMLTNESA-N 543.023 6.217 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865694403 UTDQOSGTGORBAY-SANMLTNESA-N 508.578 5.563 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696961 LZVHUTUABMYVHT-OAQYLSRUSA-N 509.404 5.213 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703194 PNIPSAJODZWCEX-FQEVSTJZSA-N 553.368 6.424 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705580 ZNBNTLHZYMTGCI-RUZDIDTESA-N 510.981 5.585 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711702 FZLPDLKBGHQKBB-MUUNZHRXSA-N 527.584 5.740 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712230 SQBACRQLVZBJJA-PMERELPUSA-N 575.068 7.058 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868365282 NGNSVFRZYGMKSQ-YTTGMZPUSA-N 541.680 7.621 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2ccccc2I)s1 1922930900 XAIIZRMNTJXOHD-JTQLQIEISA-N 536.852 6.362 50 10 KKGE COc1ccc(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923071172 HFZFKSHKMSRDIO-SECBINFHSA-N 509.872 7.073 50 10 KKGE Clc1cccc(Cl)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924594633 PBMAXRBORFKHGR-VIFPVBQESA-N 514.291 7.671 50 10 KKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(I)ccc3Br)cc21 1925756247 NRBBPMHEWVGIEC-XXFAHNHDSA-N 507.991 6.034 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2COC2)c1Br 1995047286 FWDDXNCIBBOFQG-QMMMGPOBSA-N 542.685 5.819 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2csc(I)c2)c1Br 2024292254 AHHGDTRDXKOLRT-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2053588930 DIMYHZDULFSWLS-IBGAZGKBSA-N 641.142 11.150 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 2053623114 FYGJEVHAMUNMDP-UHFFFAOYSA-N 720.088 7.235 50 10 KKGE CCO[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2054498092 OUJHUOJTDCPQBZ-ZXFLCMHBSA-N 525.926 6.677 50 10 KKGE CCCC[C@@H](C)CC[C@H](Br)c1c(Br)sc(Br)c1Br 2086056521 IPFGCSDCUPECPN-BDAKNGLRSA-N 525.970 8.078 50 10 KKGE BrC[C@@H](Cc1c(Br)cccc1Br)c1cccc(Br)c1 2094094433 BRLSTDMFSODESI-LLVKDONJSA-N 511.877 6.695 50 10 KKGE CC(C)(C)[C@H](C[C@@H](Cl)c1c(Br)sc(Br)c1Br)C(F)F 2111374636 RDCIFODGNMZBHC-PHDIDXHHSA-N 503.472 7.633 50 10 KKGE FC(F)(F)C1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC1 2116581608 VLUVZCNSNZTVMZ-SSDOTTSWSA-N 505.419 7.438 50 10 KKGE Cn1c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cnc1Cl 2141469135 RWCGXXKMNKWYBZ-SNVBAGLBSA-N 556.705 6.452 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469281 UJKLZPZOXJTPBZ-RGNHYFCHSA-N 582.794 7.999 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Br 2141476946 JFFKFNHQULPLCU-LLVKDONJSA-N 617.220 8.197 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2203687807 RHCPXVGXFFXXLH-LBPRGKRZSA-N 529.896 6.063 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Cl)cc(Br)c1 2225635781 XLIYSELXCHRVMT-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234072887 IUCONCVCGPCUBE-KUHUBIRLSA-N 511.689 6.383 50 10 KKGE FC1(F)CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2277716753 PKGDIBPORKWHHJ-DYEAUMGKSA-N 546.269 7.452 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2F)c(Br)c1Cl 2283546928 KSLPJAPXCDVYAB-LBPRGKRZSA-N 534.388 6.339 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)c1C 2284536499 JOFMCANIZZSESH-INIZCTEOSA-N 510.007 6.163 50 10 KKGE O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=CC=Cc1ccccc1[N+](=O)[O-] 2293738392 NGWKLPLYAHLZEU-UHFFFAOYSA-N 506.034 5.300 50 10 KKGE C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=NNC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 2297628379 VXLVRWWWBQOCCJ-XIKPILRDSA-N 541.605 5.868 50 10 KKGE Clc1ccc([C@@H](Br)c2sc(Cl)cc2I)c(Br)c1 2300997445 HVTHQRRSUOVYSO-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2314451301 DIUQLBLQXGGUIE-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314618590 QCSUVIFERIGCBT-SANMLTNESA-N 534.616 5.184 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314618713 SFWSCHHLFHBGBJ-RUZDIDTESA-N 554.650 6.766 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 2314620935 WLZGEYSJCLHOLY-UHFFFAOYSA-N 549.030 6.302 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 2314634146 RAIMXOJGKPYNOL-XMMPIXPASA-N 508.317 5.739 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(F)cc1 2331042454 BDSZVLVQDQQFJW-UHFFFAOYSA-N 501.514 5.534 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc(Cl)cc2)cs1 2331300417 DFBCLTOWNTVUGT-UHFFFAOYSA-N 501.926 6.353 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331892 GSKDIOXRPKYXOM-SFHVURJKSA-N 501.608 5.740 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)n1 2331362646 JPYGMPQQSSWSCB-UHFFFAOYSA-N 514.390 6.080 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 2331402013 FKCZQZIYBVPCOZ-UHFFFAOYSA-N 516.269 7.593 50 10 KKGE CC1=CC[C@@H](C(C)=Cc2csc(C)n2)C(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 2333151874 GNAPAUDDSROWCR-CVCPIZFTSA-N 732.233 11.168 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2363839401 TZTQSNXXCWOTRF-BDODKLCJSA-N 563.853 6.583 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@H](Br)c1sc(Cl)cc1I 2363894456 UFYZUSYIAFITBE-JTQLQIEISA-N 515.947 7.163 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccs2)oc2cc(Br)ccc12 38688435 OMEAFYXPIZOXEH-OAQYLSRUSA-N 507.365 6.003 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 54624845 XSQGSCMMVURGKW-PTGBLXJZSA-N 530.621 5.964 50 10 KKGE CC[C@H]1/C=C(\C)C[C@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 97977766 KASDHRXLYQOAKZ-GFSFVSOGSA-N 810.466 5.719 50 10 KKGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 100142586 COUQHZQXTTVUPR-UHFFFAOYSA-N 550.519 5.030 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 100452644 IFDQSQHDWMNHEU-VCZQPPJFSA-N 557.488 6.874 50 10 KKGE C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NNC(=O)c1ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c1)C2 100947979 GKNCWBHJIBLVJR-NRUKRWIHSA-N 502.618 6.107 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241015 KMNQPRVFMRTOFZ-SJCFVWOQSA-N 550.511 6.859 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101372142 AQHMWHYFQKFJDN-NDEPHWFRSA-N 543.576 6.000 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380371 GJMCVXNACVSDMU-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc(OC)c1OC 101384194 ZWMKFQCTGZZZLQ-PMERELPUSA-N 582.584 5.868 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385146 HEFDBPNSJLZZEA-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101390885 NUAKSTBYNYJSFI-HHHXNRCGSA-N 599.495 8.224 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1Cl 101395821 LQCFBYJFOBVUAY-PMERELPUSA-N 625.549 8.043 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101397044 OYHBUGFRTQFFSV-NDEPHWFRSA-N 587.470 7.510 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101397167 JEWOHEWRLRWVML-HHHXNRCGSA-N 607.559 8.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(F)cc1 101399494 SPXWZPDOWHHLNX-WJOKGBTCSA-N 590.563 5.957 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc(CC)cc2)c1 102351138 KTKQMKHPWAAURS-HMAPJEAMSA-N 532.662 6.744 50 10 KKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 103732906 JBJMIZBJOBUGMB-UDXHRHDRSA-N 528.848 6.712 50 10 KKGE C/C(=N/NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 103907150 KHUMSHOWJFLTIS-UCMJSZAQSA-N 595.508 5.981 50 10 KKGE CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 105519865 WUBIREGQVGLNRW-YRBVQNTESA-N 583.516 5.091 50 10 KKGE biogenic CCCCC[C@H](Cl)C(=O)S[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920722 OUFIJZVLVZAQTQ-LNHXWTKOSA-N 549.349 10.844 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)cc1 150455169 KNQBPFZLOTYQTP-WVWMKCSRSA-N 660.752 5.096 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150479164 MONOZFUENHSXLK-SSEXGKCCSA-N 642.322 8.082 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484363 ZVWIKMHTXPCQIH-SXNNZQFFSA-N 633.915 8.071 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1C#N 163793004 DQIFPOAAPWQRRO-AMVVHIIESA-N 644.263 6.413 50 10 KKGE BrCC(CBr)(Cc1cncc(Br)c1)c1ccc(Br)cc1 169004997 SBVAQZWSMQDYBJ-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2 209405996 CNGIGQZITHFZBL-ODENVGOISA-N 500.620 6.174 50 10 KKGE CN(C)[P@](=O)(Cl)OC[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 211586711 HRNHOEBQNIMEGD-CLQPPPMBSA-N 722.186 7.195 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214312445 RAQCWSYICFAKEY-CAQPMQTCSA-N 595.634 6.445 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 214363341 RKVPRZKIDGCFSL-CEUNXORHSA-N 534.660 6.562 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(F)cc2I)cc1Br 235814988 NGPZPJITBYAPDL-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE COC(=O)CCCCCC[C@@H]1[C@H](O)C[C@H](O[C@@H]2CCCCO2)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 247842044 OLKPOVZVIGXVRC-DUDMTIKUSA-N 596.881 5.985 50 10 KKGE Cc1cc(I)ccc1NC(=O)CCC(=O)NN=Cc1c2ccccc2cc2ccccc12 252623230 OMUFGISVBKAOFF-UHFFFAOYSA-N 535.385 5.775 50 10 KKGE CCOc1cccc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1O 254572748 IOHOGSAACPYKCA-UHFFFAOYSA-N 510.666 5.330 50 10 KKGE Cc1nnc(SCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 254791481 LFSROPVHOOTGGF-UHFFFAOYSA-N 599.720 6.250 50 10 KKGE Br[C@H](c1ccccc1I)c1cc(I)cc2c1OCC2 306077182 ZVRVTDMBMGVSSD-CQSZACIVSA-N 540.964 5.315 50 10 KKGE Cc1cccc([C@H](Br)c2cc(I)cc3c2OCC3)c1Br 312245270 BEVKBXPBWVDLQM-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232382 OYSKUZDIHNKWLV-IJBYYUKHSA-N 663.406 6.422 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)s1 688141854 ARPMJLLURTYWNM-LBPRGKRZSA-N 536.454 6.399 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2ccc(I)c(Br)c2)c1Br 721583710 BSOKXIQLZWXYMH-SECBINFHSA-N 604.849 7.381 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccnc3ccccc23)CC1 725238746 WZRQPVJWDDUXLW-MHZLTWQESA-N 587.067 5.973 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1 1083902715 VJXXUXJZGOBFSB-UHFFFAOYSA-N 572.253 6.618 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1 1083953789 UQBQGXZLJVFUTH-LJAQVGFWSA-N 601.616 6.065 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 1083962209 FOSKEKNLEQWSAO-UHFFFAOYSA-N 532.232 5.953 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1 1084139686 LXZCYDPHOKLFFB-UHFFFAOYSA-N 576.118 6.388 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccccc2[N+](=O)[O-])c1 1084254991 YCMZOGAZQPMJEG-UHFFFAOYSA-N 504.377 5.087 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c2ccccc2cc2ccccc12 1084266732 NFEZVECVWYWEEM-FQEVSTJZSA-N 646.558 6.618 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)S(=O)(=O)c2ccccc2)cc1OC 1084317134 OQYZZRHJAJVRQV-UHFFFAOYSA-N 594.089 5.282 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748543 LLUNMKWVUVQZFX-UHFFFAOYSA-N 556.460 6.592 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cccc(Br)c1 1865683448 DWWQTRAPGMBDPE-INIZCTEOSA-N 509.713 5.584 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865694197 VNKIGESWIUORAH-VWLOTQADSA-N 543.023 6.217 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)c1O 1865695431 CFSGRZHPSMLHGI-OAHLLOKOSA-N 541.711 5.239 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865702822 FZPLGNLAZCBADM-PMERELPUSA-N 569.105 7.042 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703190 PJQJKVDXVHQHGH-AREMUKBSSA-N 572.974 7.495 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865708463 ADFGERHUWMRLMO-VWLOTQADSA-N 514.988 6.180 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711903 LBWJJWVFWMEGGZ-YTTGMZPUSA-N 540.623 6.557 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712273 URLBFNIWEUOEQI-SANMLTNESA-N 559.022 5.504 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714679 NMDVOYJPMHJKFM-QHCPKHFHSA-N 547.840 6.241 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)sc2c1 1866131623 FHKUUYQSRXCYHX-SFQUDFHCSA-N 547.500 5.415 50 10 KKGE CCC[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866566966 GZCCOMBBXSVOIS-OAQYLSRUSA-N 532.716 6.578 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866694444 JTWLHHHVMKYPJR-VSGBNLITSA-N 506.631 5.347 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1C 1866775761 PDNBCOAHBKYCLJ-LEAFIULHSA-N 501.652 6.203 50 10 KKGE CC(C)c1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866956866 YIAQDNHICSVYKL-NSOVKSMOSA-N 517.670 6.628 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)cc1 1867002544 TUOCEKMMDZCNRV-UIOOFZCWSA-N 536.122 6.464 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc(Br)c1OC 1872752239 SQZJUQULUBYCFL-USWIQOBPSA-N 511.441 7.219 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1OCCC 1872817988 GXKXVEOFTCOQON-SUKPOPNJSA-N 515.462 8.201 50 10 KKGE C[C@](CCl)(CI)OCc1ccc(I)c(Br)c1 1904373763 KLEKNNONFOQSBM-NSHDSACASA-N 529.381 5.003 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915075850 JXCUJMFRBQKFQW-CQSZACIVSA-N 506.609 5.761 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)sc2Br)c1Br 1922946007 MOBSYGMBWMMBRU-SSDOTTSWSA-N 588.804 7.652 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1ccc(Br)cc1Br 1925590706 ZJEIZRKNXKATIH-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)=C1NC(c2ccc(F)cc2)=CS1 2040464167 DBSLKOUTCAYMPH-UHFFFAOYSA-N 547.587 6.083 50 10 KKGE Cc1c(CBr)cc(Cl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2059314685 OQAMMZCDJZTWBK-UHFFFAOYSA-N 535.935 5.866 50 10 KKGE BrCc1ccc(Br)cc1OCc1ccc(Br)cc1Br 2092264592 DQLGTVNIKOXUIS-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE CS(=O)(=O)c1csc([C@H](Br)c2cc(Br)ccc2I)c1 2093074703 OURVRTAQVXALHY-GFCCVEGCSA-N 536.048 5.003 50 10 KKGE Cc1nc(I)c(I)n1-c1cc(C(F)(F)F)ccc1CBr 2155775438 UUMRXQMSKUIDGS-UHFFFAOYSA-N 570.916 5.304 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Cl)c1c(Br)sc(Br)c1Br 2163395153 FIEDRUFKZJZXTI-MUWHJKNJSA-N 513.467 7.531 50 10 KKGE FC1(F)[C@@H]2COC[C@@]21[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395529 OWCWBJOJXZJOBX-PFZYVWIYSA-N 604.703 6.454 50 10 KKGE Cc1c(Br)cccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406231 XAVOLNBYPIVZKT-CQSZACIVSA-N 611.191 8.136 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2I)cc1Br 2207259376 AIBLRNOETHNZOW-CQSZACIVSA-N 595.294 6.963 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2213776259 YTTWZPXRTYIKJT-LURJTMIESA-N 544.353 7.543 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2225614899 AOAWQQROQRKMHI-ZDUSSCGKSA-N 580.709 7.360 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)c(C)c1Br 2235610529 RFIQDSIJSAQIJX-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2270429579 NCLFOEUGQMLUCO-SECBINFHSA-N 556.314 7.621 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(F)c(Br)cc1Cl 2282907742 RYRSRXOYBMVUJD-CQSZACIVSA-N 505.834 7.450 50 10 KKGE O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2295110966 WDDPHKQHLUAHDL-UHFFFAOYSA-N 632.569 6.254 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Br)cc1 2295459706 PHSKIHUHWFILGY-UHFFFAOYSA-N 579.800 7.645 50 10 KKGE CCN(CC)c1ccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(OCc2ccc(Cl)cc2)c1 2296737774 NVZRSOXRWIAAIS-UHFFFAOYSA-N 523.040 6.469 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)nn2C)sc1Br 2301118914 JDXAZLUBRFQRIT-LURJTMIESA-N 507.871 5.562 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)sc1Br 2301794143 KICBCGDXFUIKNA-NSHDSACASA-N 506.428 6.561 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2c(c1)OCO2 2313567658 JUSBPBMTXIVRTN-UHFFFAOYSA-N 568.367 5.462 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 2314487195 FDBQOFKWEKNCLV-UHFFFAOYSA-N 509.396 7.545 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2314531528 BYUUEWQIKZMAOU-UHFFFAOYSA-N 522.561 5.134 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593537 OSNWUGDNPOLREW-SIBVEZHUSA-N 549.618 6.571 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610952 ORNFQVMQVQSMFX-NRFANRHFSA-N 524.690 6.822 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314617397 XOGFPVCTJVSQRW-UHFFFAOYSA-N 556.666 6.737 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314620000 IYMJGXDJNZWWFN-UHFFFAOYSA-N 661.161 8.717 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 2314620154 KRCZJUWDAMSQDK-UHFFFAOYSA-N 547.058 6.910 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634356 HPKAHBIVVRZZOJ-WJOKGBTCSA-N 559.062 7.145 50 10 KKGE CC[C@@H]1C[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2320331073 NRFAYDAKUASNED-CSMHCCOUSA-N 568.767 7.609 50 10 KKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2331417653 HFAYUGFQFHLQOO-UHFFFAOYSA-N 525.512 8.167 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@@H]1CC[C@@H]2O 2333121701 FIAYIYKWRBIBQG-KRXNADQXSA-N 634.601 6.657 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1ccc(OCc2ccccc2)cc1Br 2336048250 SKJHAWXJXAOYLP-OAQYLSRUSA-N 559.523 8.076 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2340065353 VHEFJRGOFCPHDV-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358264574 NCBJDEPCGUUWGQ-BDEPCCISSA-N 602.731 7.464 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1nn(C)c(Cl)c1Br 2365227267 DDUFCRDPNZKKGC-SECBINFHSA-N 509.826 6.137 50 10 KKGE Cc1ccccc1[C@H](CBr)OCc1ccc(I)c(Br)c1 2377622684 UNUAAECWDBCUBE-INIZCTEOSA-N 510.007 6.015 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 1790535 PTCLYKAUSAJNQG-KVHSSYOWSA-N 528.848 6.712 50 10 KKGE O=C(NCCc1ccccc1)[C@H](c1ccccc1F)N(C(=O)CCl)c1ccc(Br)cc1F 3034991 SBGQTGFJRMVUSX-QHCPKHFHSA-N 521.789 5.399 50 10 KKGE CC(C)COc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(OCC(C)C)cc3)cc2)cc1 14025157 IDODLUWRCDBEPN-LTTYKRRRSA-N 514.626 5.284 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665592 GGVGZLZESNWVOD-IBGZPJMESA-N 525.443 5.424 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 35519791 HQAWSNPMBZDAKF-XSFVSMFZSA-N 516.420 6.654 50 10 KKGE CCC[C@@H](C)c1nc(N2CCN(C(=O)C(C)(C)CCl)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378726 IIIZGCPQGMCEMZ-QGZVFWFLSA-N 501.050 5.080 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)c1 38658596 VEWUPOXQPSSFMC-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc(C)c1Cl 38680499 FPYDQAOKHZWFAM-HSZRJFAPSA-N 513.352 5.952 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38685450 QLGUSJOMBMQXSY-HMILPKGGSA-N 516.569 5.986 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 38686717 DIDWTMNWPNMKDY-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 58894309 MGDKGYOQWRFREE-LMLUNKDASA-N 526.633 6.180 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 58894845 WPMYTOXSTIXWLG-MWEZWSPGSA-N 505.618 6.205 50 10 KKGE COc1ccccc1CN(C(=O)CCl)[C@H](C(=O)NC1CCCCC1)c1ccc(OC(C)C)c(OC)c1 97914679 DPYQVNCCVWZMMY-MHZLTWQESA-N 517.066 5.249 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1 100335448 SIZBHCXGDCRKRT-RGVLZGJSSA-N 525.830 6.853 50 10 KKGE CCc1ccc(-c2ccc(C(=O)Oc3c(Br)cc([N+](=O)[O-])cc3Br)cc2)nc1 100485018 BUQLJTYIKPTRNO-UHFFFAOYSA-N 506.150 5.963 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 101339717 WMYFPEFKUJBYPR-RDRPBHBLSA-N 602.716 6.953 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2=O)cc1 101340146 PLMQGRQHQXDXDM-VUTHCHCSSA-N 528.612 5.691 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc(OC)c1OC 101368721 TZJJOXJSUYDXMJ-XDBZFTIUSA-N 544.604 5.427 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)c1 101374363 QIBUQBPKYITGPD-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101375587 XSUVYGKCYUHVTK-PVAZPRTOSA-N 584.713 7.198 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5)ccc43)c2)cc1 101382148 ALQQAFOUXCHJOQ-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382644 IXELVBKCOFCCIS-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 101395371 UPCYKHNHMXVAGN-SSEXGKCCSA-N 552.627 7.065 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCCC)c(Cl)c3)ccc21 101397316 QIWSVZWCSAYTRH-NDEPHWFRSA-N 581.496 7.789 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610093 OFQLYOFRFZHNNC-IWBSIUBASA-N 556.460 6.592 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 102779692 BUVYYTNPYFANLB-MUUNZHRXSA-N 549.539 6.328 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806232 UXWVXUFALGQVQT-SCAGUQHUSA-N 613.652 5.570 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 105437216 RCLZCUNAKVLWDE-UZWMFBFFSA-N 545.664 7.074 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 150389154 KBUFCGZEGYXTPP-IADYIPOJSA-N 656.556 6.074 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@H](C)C2 150411230 JGBZEPIDRFFBBZ-MJPUNAALSA-N 630.726 5.088 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150461964 RDAUGPDYHMKHJU-GDLZYMKVSA-N 629.521 8.233 50 10 KKGE C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 195808969 LSTVNANFBKAALN-UHFFFAOYSA-N 533.156 6.265 50 10 KKGE in-vitro COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 195813593 ZATGYRPVDYINRF-YTQWTBANSA-N 660.840 5.211 50 10 KKGE biogenic CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O)[C@H]2O[Si](C(C)C)(C(C)C)O1 196854566 MYWCSMGAHXNSPA-KIZPDCLMSA-N 613.864 5.293 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 205666993 FLCDFPOJPBFWHE-IFCBZFTLSA-N 532.571 6.550 50 10 KKGE CCOc1ccc(N(C(=O)/C(C#N)=C\c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 207130934 FSQMCZPDAUQSFQ-XLNRJJMWSA-N 520.607 5.130 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)c(F)cc1F 235862324 IMUFFQJEPVQIQN-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1 236066130 HOOSZULXBGMFGT-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 253614642 YQFZNYCPHIXROS-VMFYXRLQSA-N 919.761 9.476 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)[nH]c(=Nc4ccccc4)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 504203693 JDTKCDCRSRWMSD-SNJIXJEUSA-N 701.150 8.274 50 10 KKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616680676 OGUKNMZVWBNUEG-HHHXNRCGSA-N 510.795 6.723 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1 721596111 ZQKVQSCNYLZUCF-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1Cl 721606775 ANMGZGZVLHYDON-NSHDSACASA-N 522.352 6.470 50 10 KKGE COC(=O)c1ccccc1Oc1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725238245 RBSUBCAJDZEUDP-AREMUKBSSA-N 603.018 7.298 50 10 KKGE CC(C)CN(Cc1ccc(F)cc1)C(=O)NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238894 SPMWXWXTQNEAAD-GDLZYMKVSA-N 594.152 7.860 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1 725402360 XRSPNUUGLYSNRO-VCHYOVAHSA-N 546.248 7.279 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083818332 AUHUBWQSDUBDNK-YCXOGWGTSA-N 602.882 6.424 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1083897992 QXIFVYOCUGBGFA-UHFFFAOYSA-N 521.042 5.093 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Br)cc1 1084216822 QDKKVLGANRHQOE-YVLHZVERSA-N 532.221 6.889 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084261576 YOIUFXOIIDKSOV-GXDHUFHOSA-N 503.805 6.791 50 10 KKGE CC(CCc1ccccc1)=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 1084294806 WQEMIYZTBRHJSF-UHFFFAOYSA-N 537.991 5.679 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1 1084299603 DASLHOVGFVQJNG-RQZCQDPDSA-N 564.238 7.418 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(C)c3)c(OCC)c2)cc1 1084377948 YWHKUBCMXXDCRR-SANMLTNESA-N 616.496 5.940 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2[N+](=O)[O-])C1 1614615807 PRQGUTCFHIXHCX-WMLDXEAASA-N 500.720 5.035 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653475 LYWXLHRKKPHYAK-UKNHIXCCSA-N 584.063 7.279 50 10 KKGE C/C(=N\NC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615527118 ZXDUBFFUOGWFSM-SZSOCUQWSA-N 655.796 5.706 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748609 BKEKRDZIPDEHGB-UHFFFAOYSA-N 528.436 6.506 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2cccc(F)c2)[C@@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 1848437277 CAVKYMAXMVRYGQ-HQPLKVBUSA-N 716.974 10.041 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682192 IOMZPQAMEHOXCT-HSZRJFAPSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682483 PMNGLIPHHWGBMX-XMMPIXPASA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(C)ccc2O)C(C#N)=C(N)O3)cc1 1865687113 JQHXURTWWNBLBU-XMMPIXPASA-N 533.415 6.146 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687889 CQRKMFSDEQJVKW-LJAQVGFWSA-N 528.612 6.295 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693336 NEQKYWLIUWPTBY-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694895 FDMYDYNYHMFMMK-SANMLTNESA-N 531.443 6.929 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1 1865702244 QKEPGLNROAUVFU-AREMUKBSSA-N 510.041 6.316 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710642 DFQGZPUIBNJRKQ-HSZRJFAPSA-N 502.496 6.093 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711847 JABIEBVBKTZBCL-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866750679 MUNRHUITWQIIEY-CLJLJLNGSA-N 524.061 6.548 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1868301329 NVRGUVBGUVGRMN-MGBGTMOVSA-N 569.690 7.650 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868364712 DRLYDLWRARYYCQ-SANMLTNESA-N 533.701 7.269 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN([C@H](C)c4cccs4)CC3)n2)cc1 1868527969 LBMGNKFCFMIMEL-OAQYLSRUSA-N 542.734 6.804 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccc(Cl)c4)C3)n2)cc1 1868545540 ZCRPVVCWEVOOGZ-MHZLTWQESA-N 556.135 7.989 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 1872749269 JCNATEIHHQSFDY-RVROXKIYSA-N 501.652 6.569 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3cc(Cl)ccc3Cl)n2)cc1 1872753086 HDWCBTVVRIAHJX-LVWGJNHUSA-N 501.479 8.501 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872755507 QZUMLGRSERKHHU-KRGSWRLMSA-N 503.580 5.331 50 10 KKGE O=C(c1cc(Br)sc1Br)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915312781 LCLLCPHETMMWMO-AWEZNQCLSA-N 522.100 6.089 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cccc(OCc2ccccc2)c1 1923036999 AFYRULOTEXYGHM-HNNXBMFYSA-N 507.074 7.834 50 10 KKGE FC(F)(F)CC1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923072738 RHSIHBJCTMZEKL-SSDOTTSWSA-N 505.419 7.485 50 10 KKGE CS(=O)(=O)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923074693 QGQZJYHFRNQDFN-VIFPVBQESA-N 523.493 5.814 50 10 KKGE C[C@@H](SS[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 1923727959 RZUCNNXQRXPJTR-VSGBNLITSA-N 568.808 7.603 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Cl)sc(Br)c2Cl)c1I 1925622202 PMBFIECTSQYEAG-SSDOTTSWSA-N 500.385 6.889 50 10 KKGE C[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2085492164 HBICUUSQPOBYIB-PWCHPLFNSA-N 526.332 7.699 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2085497461 WRQMALBETHRVPB-NSHDSACASA-N 558.742 7.780 50 10 KKGE Cc1nc(C[C@H](Br)c2cc(I)ccc2Br)sc1C 2085798450 RDTAYKBZPJOITG-LBPRGKRZSA-N 501.025 5.806 50 10 KKGE Brc1cc2c(c([C@H](Br)c3c(Br)cccc3Br)c1)OCC2 2150493242 JZNYKYUZUHGAKT-AWEZNQCLSA-N 525.860 6.393 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Cl)c1c(Br)sc(Br)c1Br 2163395146 FIEDRUFKZJZXTI-HZGVNTEJSA-N 513.467 7.531 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]2CCCCCC[C@H]21 2166116787 CDJKPCHJMLPBQD-WTBMIXGQSA-N 505.541 7.922 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Cl)c(Cl)c2)c1Br 2201068694 HSFINQHFHMRLBP-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224306510 DLOLOIIGAXRBBN-QMMMGPOBSA-N 512.254 6.390 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(C)c2C)c(C)c1Cl 2232517289 RGFDSWGNZANZHR-CYBMUJFWSA-N 501.509 7.644 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2234069965 UCRQTADBPUWYDD-QVKFZJNVSA-N 509.673 5.574 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12COC[C@H](C1)C2 2273084035 ZTDOHLCNUJFUGN-AJJMPYILSA-N 538.299 6.443 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)c(C)c1Cl 2283199644 IXNGSNWQNAFTIC-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2ccc(I)cc2)cc1Br 2295438957 XEVNNRLQCOIFNT-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 2296507081 SMTDFPJMAXQKNO-MHZLTWQESA-N 511.647 5.043 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592495 VNPCGUCKLVWRKG-NDEPHWFRSA-N 509.675 6.711 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593814 UAXFMBWWFJSJFB-NIYFSFCBSA-N 516.066 6.206 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C(C)=C(C#N)C2=O)cc1 2314616515 CLWZPDVEVQIHTJ-UHFFFAOYSA-N 624.672 7.058 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314616613 FRAUUUPYRBTFEY-UHFFFAOYSA-N 608.673 7.358 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643338 SPIBIUJMZBCGMK-DHUJRADRSA-N 655.578 8.715 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646764 NAOYFRMDSKBXPH-SFHVURJKSA-N 553.423 5.170 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 2314720287 LKPNLFBMWLTRJQ-RUZDIDTESA-N 528.992 6.029 50 10 KKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)NN=Cc4ccc(C(C)(C)C)cc4)nc(O)c23)cc1 2320486407 KJIFUVGOJKMFRI-UHFFFAOYSA-N 518.708 6.727 50 10 KKGE CCOc1ccc(C)cc1[C@H](C)NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599256 DCNUDVMXLMGYMG-VWLOTQADSA-N 508.666 5.386 50 10 KKGE Cc1nc(OCc2ccc(I)c(Br)c2)sc1CBr 2325377266 UQRXWPWBMWKTQB-UHFFFAOYSA-N 502.997 5.293 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)cc3F)cs2)cc(Br)c1OC 2331286655 UYJVDTCBOQOROY-UHFFFAOYSA-N 505.340 6.374 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)cc1C 2331382597 LBNBNSTWVNAEBA-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE ClCc1c(Br)cccc1OCc1cc(I)ccc1Br 2341780266 RFYGWQJFAVXHDA-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cccc(I)c2)c1Br 2365183454 IFHULBKMVZBMEQ-CQSZACIVSA-N 530.425 6.461 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 8950470 NYBZRRKGTUOVNT-UVHMKAGCSA-N 509.056 5.515 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 11852132 CSBRTGLNGXZZPA-ATVHPVEESA-N 569.278 7.065 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1F 38686897 MKZJPVMJCRPTOZ-MHZLTWQESA-N 512.493 5.444 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1Br 59303896 IOHHKYIEUNVRBX-BRJLIKDPSA-N 515.205 6.129 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100193722 AQZFINNLWXABBF-UHFFFAOYSA-N 563.301 5.039 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c(Br)c1 100288195 VAGTWCNNKKWPCZ-OAHLLOKOSA-N 556.295 5.454 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)[C@@H]2Br 100869278 KQQNDXDUBZRHFE-WTNAPCKOSA-N 588.203 7.462 50 10 KKGE Cc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C(C)C 100870009 DJMWRLGSSFNZSO-GKPLWNPISA-N 527.422 5.862 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)nc2-c2ccc(C)cc2)cc1 100919898 HGLGVMZFLOGXJE-JJIBRWJFSA-N 580.691 6.651 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336225 ZRCRDXZXRJVZTD-TURZUDJPSA-N 554.716 6.449 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101337658 XXAMYJUOIGDKHH-XGRSMDHESA-N 542.639 6.680 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccccc1 101367319 OQMGQVILCSHFEQ-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCCC(C)C 101368261 ZLMUZNKBJKJVLK-PMERELPUSA-N 544.604 5.331 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101368482 QFCBYFHHEBMQMP-GDLZYMKVSA-N 533.024 6.140 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101379845 WMPAHMPPZBKAMQ-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381347 NTKHXKIIGKKMMK-GSTQUKTASA-N 629.540 8.287 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382809 UDTATKZZMMHUBI-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382865 OZULRRUMSRELDV-HKBQPEDESA-N 567.041 7.144 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384714 QDAVIMHNEIRWLA-SANMLTNESA-N 549.435 7.071 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101386785 OYBXJXVLZQPECY-DHUJRADRSA-N 586.619 6.933 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387273 LYFHUAOOPFRYHB-YTTGMZPUSA-N 615.057 6.886 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c1 101387913 DYIKRVTXWBNHQH-UMSFTDKQSA-N 590.676 7.199 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101392078 JPZOUBXSRXIBKA-HSZRJFAPSA-N 564.252 7.526 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 101611930 NCACRXLOHNGEBN-VUTHCHCSSA-N 545.375 5.136 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c(Br)c1 101615167 PGFYGQKLNKSANU-IURWMYGYSA-N 572.275 5.901 50 10 KKGE Cc1ccccc1NC(=O)CS/C(Nc1cc(C(F)(F)F)ccc1Cl)=C(\C#N)c1nc2ccccc2s1 102931718 TZIWWIJZVRKBQW-JJIBRWJFSA-N 559.038 7.953 50 10 KKGE CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 103794182 FGUMHKMRSBMBCK-LGUFXXKBSA-N 562.739 7.703 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1C#N 103879643 NRDGAGVCQFDZMG-NNLKUIAGSA-N 589.095 7.719 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 105426596 MJHUSVNCPLPMCR-ZCTHSVRISA-N 544.449 6.440 50 10 KKGE Brc1cc(Br)c(O[C@@H]2C[C@H](Br)C23CCCC3)c(Br)c1 117316324 FDPFWMDHJBALPH-NWDGAFQWSA-N 517.881 6.449 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433260 PFASDCXYPLOKGR-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442175 DWCLQFWIGUUPMZ-YTTGMZPUSA-N 641.507 8.463 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)c1 198745644 PFGZEPWEHVDNRL-VTNSRFBWSA-N 533.411 6.864 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 235971298 ITOXIAZOADYXIU-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE O=C(Oc1ccccc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 254391985 ILQGLRADTPKSNH-UHFFFAOYSA-N 529.390 6.011 50 10 KKGE COc1cc(Br)cc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3)n2-c2ccccc2)c1O 254705815 DPAJBZNRSCTEPI-INIZCTEOSA-N 707.392 5.592 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 254736215 KGTFAZCFAXOXBY-UHFFFAOYSA-N 607.460 6.734 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 254741427 RFAITYXPNHKMPQ-QUEXSVQRSA-N 528.594 5.067 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 254900659 ANKMUMPJIKVNBD-AFMSDNIOSA-N 590.680 5.600 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024963 KJASBUNXPWZRDN-YJXFJMDKSA-N 714.752 12.441 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](c2ccc(Br)s2)[C@@H](CI)C1 382733955 VYSCJBYEEGVLML-UONOGXRCSA-N 506.203 5.298 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616587317 JCCWPNDXSMAHGZ-WREUHHFESA-N 970.194 10.101 50 10 KKGE CC(C)(C)C(=O)O[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590516 SAHJWPXTHJECLJ-YKNMHBIISA-N 755.034 6.751 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 725393455 YDZCTGOFHWGLLA-HSZRJFAPSA-N 501.410 5.935 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 1083921074 QKTLGASZHMSDDW-HHHXNRCGSA-N 561.476 6.544 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1083984789 SNJXMHFHFYZACN-QGMBQPNBSA-N 664.237 6.058 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1 1084106947 JVDZBCFLCHHXCO-UHFFFAOYSA-N 533.809 7.345 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1cccc(Cl)c1 1084171226 JMMBHTZWGGWWPJ-UHFFFAOYSA-N 522.226 6.498 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl 1084209958 FSSYBMLIZVNAHV-UHFFFAOYSA-N 540.325 5.689 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 1084288628 OARQCDREKNHXII-AREMUKBSSA-N 594.449 5.996 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1084289694 RTMXRYDWSNWNRR-UHFFFAOYSA-N 782.376 7.913 50 10 KKGE COC(=O)N(C(=O)N/N=C1/c2ccc(Cl)cc2C[C@H]1N(C)C(=O)c1ccccc1)c1ccc(OC(F)(F)F)cc1 1614330630 OPTPAXMCHYGWMF-VPYCKZQSSA-N 574.943 5.622 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746972 JHPBMJYERGQVFF-UHFFFAOYSA-N 547.349 5.849 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1 1772760608 YCYBNPOAFRIVEG-UHFFFAOYSA-N 559.873 5.809 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434928 OYSKUZDIHNKWLV-NRNQXQBZSA-N 663.406 6.422 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685482 JNRLSZLOGLYIME-NRFANRHFSA-N 541.797 6.865 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865687800 AQRXIFFMNMQIOR-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865688129 KDNJNLBATBEMDL-LJAQVGFWSA-N 555.078 6.652 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688622 XBRUNGCITKCYNW-FQEVSTJZSA-N 529.822 5.563 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCCc1ccccc1 1865688674 YEAHSZQJYZEUEV-MUUNZHRXSA-N 527.024 5.742 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694762 AXWBLDPUJOWOAJ-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695509 PDCZUCWCUINDMB-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700260 OCTXSCXIDLEOTA-RUZDIDTESA-N 507.981 5.960 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1 1865701019 JTMSVYJVCOJKHR-OAQYLSRUSA-N 532.950 6.017 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865705460 WIKJOYFEZQHKOD-AREMUKBSSA-N 526.980 5.339 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1 1865707516 YNIWYPUEQGJREM-JGCGQSQUSA-N 567.693 7.101 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709999 MABKBGBJQRQMPR-QFIPXVFZSA-N 534.359 5.981 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712481 ZTLOESRKQAXEOO-YTTGMZPUSA-N 575.068 7.210 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867059004 ZMSDJWIBEBTPSV-VWLOTQADSA-N 559.742 5.768 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867197367 IYPNCXRBWWXTIZ-DNVCBOLYSA-N 504.450 5.304 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868566348 XREWLAXILJAWHM-NRFANRHFSA-N 542.690 5.546 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)cc1C 1872756577 QJDGLQIRQZOMCO-ATJXCDBQSA-N 516.044 5.051 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1Cl 1872756664 UWHXBXJVEFCCDT-FLPVWEGSSA-N 511.814 7.048 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cccc2Br)c(C)c1Br 2033091591 SJLHHISXFYRQQU-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cn1nc(C(F)(F)F)c2cc(C(=O)NN=Cc3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)sc21 2053535985 OQWQOMMTVKSXSQ-UHFFFAOYSA-N 539.948 6.130 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1C 2053623424 XMEFXYGIQIQGBI-UHFFFAOYSA-N 599.381 5.737 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2061006663 XMSCGAAHYUJGLL-JAGXHNFQSA-N 523.910 6.429 50 10 KKGE CC[C@H](C)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[Si@@]1(O[C@H](C)CC)O[Si](O[C@H](C)CC)(O[C@H](C)CC)O[Si@](O[C@@H](C)CC)(O[C@H](C)CC)O1 2080372302 PKVIDEYDHZFSAJ-CHVGBLPGSA-N 761.260 8.330 50 10 KKGE Cl[C@@H](C[C@@H]1CCOC1)c1c(Br)c(Br)cc(Br)c1Br 2085493120 XUPPAESDUUCGBB-RCOVLWMOSA-N 526.288 6.443 50 10 KKGE CCO[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494229 KPKIIKVLOJVGMO-LWELHUNNSA-N 570.739 6.598 50 10 KKGE CCC[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499417 TZAIVBKJPWFVNL-BUYFANAVSA-N 568.767 7.609 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)Cc1ccccc1I 2097824931 RJRGHTOPQIXHCC-SNVBAGLBSA-N 518.389 6.525 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)c(Br)c2)c1Br 2138850550 HUBVIGTVKIJHJD-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(CC2CC2)CC1 2141470439 HBHQYTJYCKCAPI-ZDUSSCGKSA-N 536.327 7.597 50 10 KKGE Cn1cc(Cl)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2141472574 FWKYFAWBCPVXMY-JTQLQIEISA-N 601.156 6.608 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141477331 OUVCKXXGANIIHH-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCCC23CC3)c1Br 2206398005 PLOWXHSPZIJJHC-PRHODGIISA-N 594.805 8.143 50 10 KKGE CCc1ccccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398497 VRWWGDAICLMUIR-CYBMUJFWSA-N 590.773 7.783 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1cc(I)cc2c1OCC2 2207276386 VYHJONZSZBTFDT-CQSZACIVSA-N 575.409 5.921 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c1Cl 2232511187 PDERQJWYXNQZNL-NSHDSACASA-N 587.158 8.419 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2232516124 GMWLXJSWGUYHPJ-NSHDSACASA-N 589.707 8.105 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)Cc2ccccc2I)s1 2233034160 WJRRHLRLDYJLRF-LBPRGKRZSA-N 530.063 6.330 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc(C)c1Br 2235684127 VIUNGYLABDVHHB-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(C)ccc2I)cc1C 2241003032 YLOLXUWPQWSFOP-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)ccc2F)c(Br)c1C 2253471733 REZGWFWOAAKRQG-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278022409 ORALDGAKALLODO-ZDUSSCGKSA-N 545.941 7.735 50 10 KKGE COC(=O)c1cc(OC)c(OC)cc1NC=C(C#N)c1nc(-c2ccc(Br)cc2)cs1 2295945863 JTQDPRGQWQMAGC-UHFFFAOYSA-N 500.374 5.353 50 10 KKGE N#CC(C(=O)Nc1ccccc1Cl)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296507224 YWHIKYMVAUFSQK-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)cc1 2296790215 XFEZZFABZJPUDN-UHFFFAOYSA-N 517.006 6.807 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@H](C)C2 2297459863 LASHIZPSJTZSFC-HNNXBMFYSA-N 505.552 5.763 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)sc1Br 2299494322 ICPIKZZYCJGFHD-SFHVURJKSA-N 531.107 7.645 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C1 2314433679 QKVYPLRCRLEWED-ZRZAMGCNSA-N 590.709 5.919 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314476222 LATULERGBRVELH-WMPKNSHKSA-N 675.815 5.549 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314620004 JADYJJGJCPSQQI-UHFFFAOYSA-N 635.721 5.645 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 2314634173 WOQUMHUQBHGWLH-JGCGQSQUSA-N 514.581 6.411 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C(C)=Cc2ccccc2Cl)C(=O)Nc2ccc(SC#N)cc2)cc1 2330497992 KGMGMFVELLEOFH-SANMLTNESA-N 534.037 5.608 50 10 KKGE CC(C)(C)c1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 2331358905 CJZJTTKCBSVUKX-UHFFFAOYSA-N 510.659 8.552 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Br)cnn1C 2339677016 AZHYYCYLCATCCT-JTQLQIEISA-N 519.832 5.639 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCCCC[C@@H]1I 2341837241 JZBGBCDNBXRMIE-GJZGRUSLSA-N 549.028 6.097 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(Cl)c2Cl)c1Br 2362254106 LCISPGAITMALCZ-JTQLQIEISA-N 526.252 7.795 50 10 KKGE COc1c(F)cc([C@H](Br)c2cc(Br)ccc2I)cc1F 2370437098 LNRDAHSGRUMAFF-ZDUSSCGKSA-N 517.933 5.825 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 7018838 BODDXCYPGABUOO-GPSDDGMOSA-N 597.332 5.954 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1ccccc1 33959176 FJISAWBCABQSCW-QNKGDIEWSA-N 515.569 6.284 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 34896471 ZTEMVFHRWQTNAX-QPQMVVSWSA-N 508.430 6.367 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38660248 CQJMSZFKBUJYHU-MHZLTWQESA-N 518.997 6.355 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 38683841 DIRAODQSWKDNCR-AREMUKBSSA-N 515.522 5.220 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCC(C)C 38684150 RWKYIBSYLGRLFT-GDLZYMKVSA-N 514.578 5.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 38686881 WADIUMYMXJYCBK-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)oc2ccccc12 38687895 CKTZTXWBCFHWDW-QHCPKHFHSA-N 501.336 5.941 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)CC1 38687901 AQZOGABUIGFPKQ-WKBCRJLYSA-N 509.444 6.569 50 10 KKGE CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(/C=N/NC(=O)c4ccc(F)cc4)cc3)cc2)cc1 100166042 GPEYBZAGXYWDDN-AUGOTPMTSA-N 550.674 8.379 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 100234892 BFRPFZFPWOBORB-OSGOCAMQSA-N 561.476 6.544 50 10 KKGE CCOc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 101207932 SLXMTUSDOLKKGW-NRFANRHFSA-N 519.932 6.317 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 101307547 MOVIIVCLZPEHNT-XMMPIXPASA-N 613.906 7.872 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362343 LWMJMRIWTAEXFG-PMERELPUSA-N 538.987 6.122 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1 101367280 RQLTVANDVMMXSH-WJOKGBTCSA-N 534.568 5.477 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101367624 DIZYUJQXFBNRJP-MUUNZHRXSA-N 534.996 5.730 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 101378090 BYSSXIXYEQMRMX-JIYROHSKSA-N 554.687 7.189 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1 101378118 FAPONMVCIMHGQF-HKBQPEDESA-N 540.660 7.262 50 10 KKGE Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 101613684 CAJWYCOTIJJMKH-WGPBWIAQSA-N 520.589 5.109 50 10 KKGE COc1ccc(/C=N/NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1OC 103707006 JYARSYPZDNMMIN-KBVAKVRCSA-N 570.696 5.682 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 103887500 XQMFOXUYCXGHNL-ZDLGFXPLSA-N 591.218 6.626 50 10 KKGE CCCCCCCCCCCCC(=O)N/N=C/C1=CC(Br)=C/C(=C\NNC(=O)CCCCCCCCCCCC)C1=O 137887173 ZSJXHDYOCRJTGG-BRUNBTPNSA-N 649.759 9.003 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 150430683 KZWVFWISGBERHA-PCYMAAINSA-N 763.208 6.600 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 150463864 DRYPAQAXFDPCLX-HXCVMZKZSA-N 666.731 5.392 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150476754 ZPCKUIPKUDAEEP-QFIPXVFZSA-N 656.777 8.725 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 163742684 QHFGORCDUKOQFC-XQNSMLJCSA-N 638.462 5.433 50 10 KKGE CC(=O)Oc1c(C[C@@H](Br)CBr)cc2c(=O)c3ccccc3oc2c1Br 196428944 FDVVEWUDBVUMOO-LLVKDONJSA-N 533.010 5.335 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 206406103 UXZLCKSFMUGGRW-STZFKDTASA-N 502.567 5.102 50 10 KKGE CC(C)[Si](OCCCn1c(-c2ccccc2)cn(C2CCN(C(=O)OC(C)(C)C)CC2)c1=O)(C(C)C)C(C)C 206482366 DOAQJIZPGUXURC-UHFFFAOYSA-N 557.852 7.471 50 10 KKGE C[C@@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 216490392 GQLQUIVTHHMMCX-OYHOCKPGSA-N 508.710 5.522 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 254765997 OOUPLOQCEIAECF-UHFFFAOYSA-N 576.751 7.537 50 10 KKGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2c(O)ccc3oc4c(c23)CCCC4)cc1OC 254794202 CVKGOROFBBGHGB-UHFFFAOYSA-N 538.604 5.125 50 10 KKGE Cc1ccc(-n2c(C)nnc2SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)cc1 254871181 QEXWHNHRNJYEHC-UHFFFAOYSA-N 509.557 6.062 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(F)ccc2Br)C1 382698597 ZLFKWALMTDKAFC-PBHICJAKSA-N 518.164 5.375 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1F 398797096 SCDPSLZACISKIV-MRVPVSSYSA-N 543.822 6.937 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCC/C=C\CCCCCCCC 605694575 FQTJLFSCVMFYLT-QPNAJOTBSA-N 637.430 12.531 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](n2cnc3c(O)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 616589269 WRHSSMJEKNWAFK-KGTCALOMSA-N 566.716 5.502 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2Cc3ccccc3N(CCO[Si](C)(C)C(C)(C)C)C2)c1 616594196 UGBDIYGXPMKFRU-MUUNZHRXSA-N 525.926 8.419 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3scc(Br)c3Br)c1)OCC2 705447124 DYKZTMVJGWCUGB-SNVBAGLBSA-N 531.889 6.455 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)NCCOCCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 725240210 QBQILPGPOHKOEN-AXWLSNCXSA-N 538.257 8.458 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)c2ccc(C)cc2)cc1Br 725407668 ZPZPEOBTNCVCBS-UHFFFAOYSA-N 637.600 6.136 50 10 KKGE COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)[C@H](Br)C[C@]34C)[C@@H]2C1 1078018319 JYZNDQLCHFXCEM-RTCKIRPDSA-N 561.601 7.083 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1083911727 QIZWZTIUHSVOHE-UHFFFAOYSA-N 634.541 7.421 50 10 KKGE C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084492423 IZYGBBVNSXEMFD-KPKJPENVSA-N 529.015 6.076 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1 1084568769 LILRTRIJZMRXQM-UHFFFAOYSA-N 515.613 6.804 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084603556 GTSAADRELIALPH-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE COc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C(C)C 1772720515 NOXZIIKGHFCFEC-UHFFFAOYSA-N 543.421 5.562 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1772755008 GLLGUHIPSQXEBQ-UHFFFAOYSA-N 572.539 7.337 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1772760325 BYBJUSHBHQWFPF-UHFFFAOYSA-N 580.946 7.477 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc12 1772760377 HNTPFOIKRQDRDH-UHFFFAOYSA-N 536.053 7.063 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688300 OWCLCMGXWMOSRQ-MUUNZHRXSA-N 506.606 5.591 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865690010 YYEDXMPKLUTUFU-GDLZYMKVSA-N 550.659 6.239 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865690274 NGGKILIMOAONMT-NRFANRHFSA-N 500.496 5.876 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865691585 VYMMCMSTIAQWNI-SFHVURJKSA-N 517.305 5.437 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)ccc1OCc1ccccc1 1865693815 LZXMHWSZZFDKCC-MHZLTWQESA-N 571.475 6.393 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703689 ZHAOKNSPFMZSGG-SANMLTNESA-N 535.406 6.483 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704304 SDPXBEBMMOEJES-RUZDIDTESA-N 537.834 6.938 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705347 SWEMMDDVGDYBSV-LJAQVGFWSA-N 570.605 5.994 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714440 KJGLGSPXSCGAAE-JOCHJYFZSA-N 568.258 6.835 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 1865714696 NTBOHLXTALZGQF-INIZCTEOSA-N 509.713 5.584 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867067300 VVHVTAQQMDNCTN-AREMUKBSSA-N 588.686 5.746 50 10 KKGE Cn1c(SCCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867074123 CEIXCWDGUKRBPC-DEOSSOPVSA-N 560.680 5.043 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(OCCCCCC)cc3)n2)cc1 1872753253 OCHSBMPCENCSLO-HYOGKJQXSA-N 518.723 9.068 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872780882 ORYHFHMMUZPMMU-DEDYPNTBSA-N 507.840 7.869 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1c(Cl)cccc1Cl 1872790357 CJMCVZVJQHWRDF-UDWIEESQSA-N 521.469 8.386 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 1873499316 PNDHMIGEOWKLTH-YKKQWCMESA-N 516.038 5.415 50 10 KKGE CCc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 1877185385 DKXCKNXXPKFTIQ-SSDOTTSWSA-N 511.892 6.313 50 10 KKGE Fc1c(F)c(F)c([C@@H](Br)c2sc(Br)cc2Br)c(F)c1F 1922892205 QSLJTVIPLHTKFR-RXMQYKEDSA-N 500.906 6.453 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1sc(Br)cc1Br 1922944498 ZGZRVCLUYGGSSC-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Cl[C@H](c1ccc2c(c1)COCC2)c1c(Br)sc(Br)c1Br 1924572001 VSYIATGGGNIXMD-GFCCVEGCSA-N 501.465 6.437 50 10 KKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)[C@@H](C)O1 1924614299 XHIVWGADWYIFAD-NRFSWKIWSA-N 511.899 6.285 50 10 KKGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1991461476 NYSQKNZXRPSGHK-QAAIKFCJSA-N 513.476 5.572 50 10 KKGE CCN[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H](Br)C1 2020166561 GTLRMHZAOCDHQV-HCVRKRLWSA-N 510.915 5.860 50 10 KKGE Cc1nc2c(cc1Br)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2035575358 GXJFXLIXGVTUEN-UHFFFAOYSA-N 511.895 6.376 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@@](=Nc1ccc(Br)cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053614138 BZDJOOAXNTTXEI-HUESYALOSA-N 632.546 8.782 50 10 KKGE Brc1ccc([C@H](Br)c2cccc(Br)c2Br)c(Br)c1 2083317768 JIALQCJVRPCUIU-LBPRGKRZSA-N 562.719 7.221 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(F)C1 2085500873 SFYMAHPAAXDQRY-JTIOZCSCSA-N 572.730 7.311 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)cccc2Br)c1Br 2138851863 LSHJXZZGLAVRMP-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2141475120 JEPRTPBZASQQIB-XIDCRBKBSA-N 584.766 7.130 50 10 KKGE CCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141476680 FEQWRDRBWFTNAD-CYBMUJFWSA-N 538.343 7.987 50 10 KKGE Cl[C@H](c1cc(Br)c2c(c1)CCO2)c1cc(Br)ccc1I 2146621614 PQUSGFSPLLTGKJ-CQSZACIVSA-N 528.409 6.079 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2sc(Cl)cc2Br)c1 2154476406 WMHOKZPEVVNLKV-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CC1(C)CCC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206395753 QDPZLSLTJAUDNG-CQSZACIVSA-N 552.370 8.233 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC3CCC2CC3)c1Br 2206396758 ARMQDULUKHWOQG-NQPVGWQBSA-N 594.805 7.999 50 10 KKGE Cc1ccc(F)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398676 XPPAHFBJIBRJJS-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1I 2232836598 JEDHUXYNVDEUMO-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1c(F)cc(Br)cc1F)C(=O)OC(C)(C)C 2271579458 KPSDHAISIMSYFH-GOSISDBHSA-N 501.206 5.655 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 2294156062 JNLCIIAFJUUAAZ-UHFFFAOYSA-N 630.351 5.853 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 2296723197 YTDYGZJQQKCIIX-UHFFFAOYSA-N 500.942 5.311 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccc(Br)cc1 2297708139 IDYJEFJVZZOORZ-UHFFFAOYSA-N 531.790 5.250 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cccc(I)c1)C(=O)OC(C)(C)C 2302689814 JHUVLGZNCABEJQ-GOSISDBHSA-N 559.226 5.259 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518622 LXLUOSHEKKQPLX-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314490722 KWSYVAXGIQFPRZ-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593168 INSFIMUXLILDJM-XJFCNFDWSA-N 551.756 7.456 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593677 QXIYNMCWXLWCHK-HSZRJFAPSA-N 536.451 5.347 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2314736899 AIRZTABURXCDAP-UHFFFAOYSA-N 560.650 6.229 50 10 KKGE CCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 2314737695 KSRRYWOZJQFYPR-UHFFFAOYSA-N 520.607 5.943 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cscc1OCc1ccccc1 2317423800 MJZLQDBEACPSQX-SFHVURJKSA-N 504.646 7.628 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 2331238727 QSRQJXDKNRRPFH-LJQANCHMSA-N 501.995 6.471 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331456813 JNQIPJWNYCWKQN-UHFFFAOYSA-N 525.674 7.063 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3COCC[C@H]32)c1Br 2333303571 KFOPZFFQRAUYCS-ZTWFDIKUSA-N 582.750 6.455 50 10 KKGE Fc1cc(Cl)ccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228239 BRKGRPBAQAKSJZ-NSHDSACASA-N 509.797 7.281 50 10 KKGE COc1c(C)cc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Cl 2362871075 YCTQZUJLFIRFCZ-LLVKDONJSA-N 503.481 7.036 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)c(F)c1 2365178570 KKDBZBFFPRPRJR-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(I)ccc1F 2365190849 IXOWAOSXTGQHFI-LBPRGKRZSA-N 580.830 6.887 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cnn(C)c2I)c1Br 2365222618 FOIKLEAPAXXVCR-NSHDSACASA-N 534.417 5.195 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cccc(Br)c2Br)c1 2366886840 BEJFEDHKMZZRLF-ZDUSSCGKSA-N 501.871 7.587 50 10 KKGE Cc1ccc([C@@H](CI)OCc2cc(I)ccc2Cl)cc1 2380345647 DALDVDIPFMBSAD-MRXNPFEDSA-N 512.556 5.946 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)[C@H](CC)Oc2ccc(-c3ccccc3)cc2)c(Br)c1 14768825 WWMHTAKZZKEHJG-QHCPKHFHSA-N 511.416 5.062 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 38686434 AZTWTHXLOPTEJO-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1OC 38688648 BXQDHTLWOIXIKV-AREMUKBSSA-N 510.546 5.813 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCCCCC)c(OC)c2)c(OC)c1 98027967 VDIIPHILKVXDFT-WALPORDISA-N 518.610 5.491 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1 100154434 QPDKCTWUDFEMNI-UHFFFAOYSA-N 546.693 5.546 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 101336650 NNIGDWQOBQXXCL-MTDXEUNCSA-N 532.600 6.104 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101368308 LFRRHRCVYCSHSS-NDTAFNIQSA-N 566.698 7.255 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OCC 101373676 QFLPOWCCJAPBOC-WRHNGFHOSA-N 532.568 5.604 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381106 XNMAYFHMPLHEHB-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382702 IDVXXAXNIRDNIB-PMERELPUSA-N 607.877 7.428 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383734 DUWQRTDSOBPIQV-MUUNZHRXSA-N 537.503 5.750 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(F)cc1 101387287 LJXSYAURFZHLGQ-XIFFEERXSA-N 580.612 6.233 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2c1 101398454 VAOZMHFRVLXSOK-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] 101491504 XPSBRUIQAASIDQ-UHFFFAOYSA-N 539.379 5.415 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1C 101766809 BYWPWBAXIZDKKR-BIZUNTBRSA-N 567.524 6.952 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1cccc2ccccc12 102933137 SWKTTXYTEIULFX-MTJSOVHGSA-N 562.409 7.578 50 10 KKGE Cc1c(Br)c(/C=N/NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 103843151 FZTDOLBATRSFAF-BHGWPJFGSA-N 569.095 6.537 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 104951929 AGMUZEHBRFUSLP-WQRHYEAKSA-N 536.426 6.525 50 10 KKGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 104995214 OWGQLIDKMQTQOM-FAJYDZGRSA-N 518.853 5.947 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411480 TUUJURAQRRJYMN-QSAVWGRNSA-N 701.204 6.688 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)c(Br)c1 150426002 BLEFAUTUSODWLV-UHFFFAOYSA-N 726.507 5.942 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430387 GHWOXDXMMCVMGG-PMERELPUSA-N 632.456 7.317 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 150461100 DSPYVFKLAOMQLN-YTTGMZPUSA-N 645.539 8.116 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 205643246 BQNGISPDSRKNLZ-AUSXECHDSA-N 556.662 7.400 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC 206288727 JQDNEUSZCBRTTN-ZWIHOJKTSA-N 521.610 6.142 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCc1ccccc1)CC[C@@H]1[C@H](O[Si](CC)(CC)CC)C[C@H](O[Si](CC)(CC)CC)[C@@H]1C/C=C\CCCC(=O)OC(C)C 207401065 BDKOEHDXBRAVIY-RUURJYHTSA-N 775.393 13.275 50 10 KKGE in-vitro CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 214225097 JRYXOQOWKRGOAH-PKAZHMFMSA-N 508.622 5.966 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCC)C(=O)C(C#N)=C2C)c(C)c1 214233473 QYCZGFKRZWZAOH-USHMODERSA-N 520.633 6.195 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 214386577 QXWHOMFGNVOMGW-DICXZTSXSA-N 558.594 5.378 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 235971259 QEFFVDVWWHAALQ-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE Clc1sc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 236043981 MSIBYWMSLMVMMS-ZETCQYMHSA-N 530.326 7.235 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 236230231 UWCDTWWNKAJYTO-JTQLQIEISA-N 542.287 7.312 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3c4ccccc4cc4ccccc34)c2=O)=C(C#N)[C@H]1c1c2ccccc2cc2ccccc12 252668507 FFYULGJOUHATEZ-DHUJRADRSA-N 582.688 6.474 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc4ccccc34)n2-c2ccc(C)cc2)cc1 254497981 HSSKYGZIBIYKMR-UHFFFAOYSA-N 507.619 5.647 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc(C(C)(C)C)c1O 254518065 JGOYLFNQCPXYSA-UHFFFAOYSA-N 528.722 6.628 50 10 KKGE CCn1c(SCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2C)nnc1-c1ccc(C(C)(C)C)cc1 254555973 VGEREZQEQLJHJG-UHFFFAOYSA-N 515.687 5.307 50 10 KKGE CCCCCN(CC)c1ccc(N=Nc2sc(C=C(C#N)C#N)c(-c3ccc(OC[C@H]4CO4)cc3)c2C#N)c(C)c1 254570273 DSZKYFQAVNNUCY-MHZLTWQESA-N 564.715 8.235 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)cc1 254644219 HDKCYJQEPJJPHS-UHFFFAOYSA-N 591.733 6.888 50 10 KKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc([N+](=O)[O-])c1 254700466 AEXKCVIMZVRHNU-UHFFFAOYSA-N 509.638 5.524 50 10 KKGE Cc1cc(C=NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 254866284 FFSLBCVRPJTTJO-UHFFFAOYSA-N 533.638 7.274 50 10 KKGE Fc1cc([C@H](Br)c2cccc(F)c2I)c(F)cc1Br 721692446 PLUJNVHXWUSTEZ-GFCCVEGCSA-N 505.897 5.955 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2I)c1 725400323 WWVSFCDYGMGHGO-HSZRJFAPSA-N 528.390 5.143 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc(F)c3)c(OC)c2)cc1 725419795 YDJSCPBYQXMDQZ-DEOSSOPVSA-N 606.432 5.381 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccccc1OCc1cccc(Br)c1 1083892451 APOSHHNLASRLRF-UHFFFAOYSA-N 557.451 5.788 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)NN=C(C)c3ccc(OCc4ccccc4Cl)cc3)cc2)cc1 1083930321 YRISSGRAZCRCBX-UHFFFAOYSA-N 542.035 6.263 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1083940841 SVWYHGPGKZKNAP-XMMPIXPASA-N 515.657 6.645 50 10 KKGE COc1cc(C=NNC(=O)CSCc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084041452 UZMSHMHXIGSBEY-UHFFFAOYSA-N 582.347 7.035 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)COc3ccc(Cl)cc3Cl)c2C)c1 1084047905 SXHUMVRFKDUFNK-UHFFFAOYSA-N 523.258 6.309 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 1084116029 NQOGLUPBLMTHBJ-QFIPXVFZSA-N 531.834 5.654 50 10 KKGE O=C(NN=Cc1cccc(Cl)c1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084131180 NCCURHHFUMHATQ-UHFFFAOYSA-N 535.087 6.182 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CCCNc1ccc(Br)cc1 1084309253 UVXFSWSCGCEREH-UHFFFAOYSA-N 619.652 7.757 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084356876 KGZVXOALQBJZFQ-UHFFFAOYSA-N 518.853 5.947 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 1084493790 JSUYLWJRXXKKLH-VXLYETTFSA-N 608.217 5.623 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Cl)c1Cl 1084655512 UVYSPBMXBBETJE-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE O=[N+]([O-])c1cc(Br)ccc1[C@H]1CN(Cc2ccccc2)C[C@H]1CI 1614694866 QJVXNDAMHWIJJQ-PBHICJAKSA-N 501.162 5.008 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC4)ccc21 1772746799 HJARASVVERHLSB-UHFFFAOYSA-N 596.503 6.958 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747459 IDZYAVYRGWWCHW-UHFFFAOYSA-N 535.771 6.179 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749898 REFYRZSEBHMING-UHFFFAOYSA-N 516.381 5.391 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1772755087 LVTIEUQYAVPDLD-UHFFFAOYSA-N 562.931 7.592 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1C 1772755138 PIYLDGXCVXWOSC-UHFFFAOYSA-N 631.017 7.755 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865688744 ZRYCWNWEVFVQRT-AREMUKBSSA-N 539.422 7.226 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865692298 AUTGNXGNUDROSW-WJOKGBTCSA-N 572.640 6.933 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1C 1865702954 JKJWZKYNZDOCSQ-HHHXNRCGSA-N 574.603 6.763 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704329 SNVIYILXEYRXFV-NDEPHWFRSA-N 566.583 7.209 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(C(F)(F)F)cc1 1865710767 HQOUYRSPOSURKR-MRXNPFEDSA-N 516.804 5.980 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710772 HXWWTJUIRNMUDC-JOCHJYFZSA-N 517.358 5.668 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865711424 YAUNPYCCNBJBBE-DEOSSOPVSA-N 549.414 6.090 50 10 KKGE CCc1sc(NC(=O)/C(C#N)=C/c2cccc(F)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866131198 IKJQSSKMNPSOAU-LFIBNONCSA-N 513.388 6.211 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCOC)cc2)sc(C)c1-c1ccc(Br)cc1 1866215499 ZPZHVGQQMRKWSC-HMMYKYKNSA-N 569.477 6.234 50 10 KKGE CSCC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783600 VXZOTFJZBXZKQY-JWQCQUIFSA-N 525.646 5.937 50 10 KKGE CSCC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866797881 CVORXBIWUMHMSY-FQEVSTJZSA-N 534.501 5.252 50 10 KKGE Cc1cc(OCCC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(C)c1Cl 1872753888 RYRBWRZMIHVUDB-RFBIWTDZSA-N 517.050 8.525 50 10 KKGE N#C/C(=C(/O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2cc(Cl)ccc2Cl)cs1 1872758004 HCAKCFPSFCAQBM-ATJXCDBQSA-N 518.381 6.867 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)n2)c1 1872781807 SCLZYVZSCJMXJF-YBFXNURJSA-N 523.441 7.777 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)ccc1OCC(=O)N(CC)CC 1872792272 PDCPTDUHAHVEGE-FYJGNVAPSA-N 519.623 5.291 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2cc(Br)c(Br)s2)s1 1901025428 GQNPESIENRILBL-ZETCQYMHSA-N 532.875 6.921 50 10 KKGE COc1cc(C)c([C@H](Br)c2csc(Br)c2Br)cc1Br 1901744966 ABMBNPHSZHIXBJ-NSHDSACASA-N 533.905 6.837 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2sccc2Br)c1Br 1922934925 KVNGWAYOKGFGJA-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923054406 FDGRPJAHEGVJEX-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE COc1ccc(CC[C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923072831 SCAFNOUJMFRPSD-SNVBAGLBSA-N 503.481 7.004 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2c(s1)CCSC2 1923072914 SPMYUKXTAROYNT-SECBINFHSA-N 523.562 7.262 50 10 KKGE FC(F)(F)CC[C@H](Br)c1c(Br)sc(Br)c1Br 1924580679 ULWZCGSWYOVZRR-VKHMYHEASA-N 509.805 6.814 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)sc1Br 1924585601 NOQJXVUSJPFYTH-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE CC1(C)C[C@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Br 1924612913 FFAVNAYHPCSCHO-RQJHMYQMSA-N 509.927 7.298 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br)Cc1ccccc1 2009658689 SJAPYIXJSRQQDO-UHFFFAOYSA-N 566.359 5.667 50 10 KKGE CC(=CC(C)C)[C@H](C)/C(=C1\CCC[C@]2(C)CCC[C@H]12)[C@@H]1[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]2n2c(=O)c3ccccc3c(=O)n21 2065336349 BKBXDVORXBDXJZ-URLSJDINSA-N 645.017 9.975 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c(F)c1Cl 2136967897 ZNEQKJUXOPNTEJ-MRVPVSSYSA-N 515.826 7.295 50 10 KKGE CC1(C)CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471271 PTPFSMFBHVBXKH-WPPNPWJKSA-N 538.343 7.843 50 10 KKGE Oc1nc2cc([C@H](Cl)c3csc(Br)c3Br)c(Br)cc2[nH]1 2150344325 IJWUYBFEMPEQHC-JTQLQIEISA-N 501.425 5.946 50 10 KKGE CN([C@@H]1CN(Cc2ccccc2)C(C)(C)C1)S(=O)(=O)c1cc(CBr)sc1Br 2179791660 UQXBRWNMPKDQPJ-HNNXBMFYSA-N 536.355 5.079 50 10 KKGE Cc1cccc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1Br 2201071085 PODQOUCXDNPKQJ-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206398985 BBVWMYTXUBCRNT-LLVKDONJSA-N 659.605 8.123 50 10 KKGE CCCCOC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2216423046 ZWUMSSMBNDRLTH-ZETCQYMHSA-N 513.915 6.158 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)c(Cl)c1Cl 2224303588 AMTJVFYMXGMSIE-NSHDSACASA-N 508.262 7.656 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 2227348541 OBTKCILFJBESOP-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE CC1(C)[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)C[C@H]1OCc1ccccc1 2234056627 JABNSXIBWFCVJN-RBUKOAKNSA-N 512.673 6.857 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 2258089946 HIDBCRTZXVUSMF-NSHDSACASA-N 521.869 6.967 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1I 2269549207 XWNMMODNMIMEDL-CQSZACIVSA-N 560.849 6.309 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277888570 KMAFNKGDEFYANN-LBPRGKRZSA-N 531.933 7.277 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2280676363 DXONHRFAGNSQHB-LLVKDONJSA-N 521.927 8.141 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198165 BODDXCYPGABUOO-QHCPKHFHSA-N 597.332 5.954 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 2293308755 PSNQKZMFLQYBOZ-UHFFFAOYSA-N 547.442 6.241 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)=Cc1ccccc1 2293704399 PWZUCRAKOIWPKS-UHFFFAOYSA-N 502.043 6.194 50 10 KKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 2294187425 NAKAGKKORCKYQY-UHFFFAOYSA-N 508.597 5.731 50 10 KKGE CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818762 WPLUQQWECOZHTD-BHVANESWSA-N 564.895 11.276 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)N(c3ccccc3)C2=O)cc1 2296506765 DJWXGUHGZXMMDP-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1Cl 2297321677 QSXTTZVIMXRBCQ-UHFFFAOYSA-N 591.687 5.795 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cccc(I)c1 2299495098 JUFVIYAHBKIILA-FQEVSTJZSA-N 558.051 7.117 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1 2313518674 OBKRKZMHMZGHHG-UHFFFAOYSA-N 524.358 5.733 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570904 IVLHWKGOMMDOLK-UHFFFAOYSA-N 510.179 7.564 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1cccc(Br)c1Br 2314461306 QESGULWMZUIHRB-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1 2314478135 GOTLSMZREWIQKD-UHFFFAOYSA-N 508.647 6.986 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592813 CDIQGLBDCVAPNZ-NSYGIPOTSA-N 552.483 6.306 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314619769 FDHALBCKTIQGKU-UHFFFAOYSA-N 629.091 7.703 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 2314634670 WJONBDCKVYCECE-MHZLTWQESA-N 519.428 7.128 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@H]2CC[C@H]2C2CC2)c1Br 2319489592 MULRDDVWGDAUMK-HRDYMLBCSA-N 521.938 7.298 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663785 PYLQIOJWVASWBD-UHFFFAOYSA-N 515.816 6.553 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240213 IWWSIESMCOMVBP-UHFFFAOYSA-N 514.563 5.466 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)n1 2331322936 KPLUSXOHBBWQPR-UHFFFAOYSA-N 521.598 5.916 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336044828 QXNZJAPMWISYHA-HXUWFJFHSA-N 515.072 8.014 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364051300 NZUXXBVCRXJDHJ-JTQLQIEISA-N 531.868 5.509 50 10 KKGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2ccc(F)cc2)cc1 37442417 OZKOLWGSLROGMS-COOPMVRXSA-N 504.631 5.138 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38649402 XYBRBWJNCSOCCQ-SANMLTNESA-N 519.395 5.775 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OCC 38683798 LWWMMHRTDNGQDX-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 38686759 UMJHMNCIYBEJFO-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE O=C(N/N=C/c1ccccc1Cl)c1ccc(-c2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1 39379140 GAAKCNUFXJLAFL-LTTYKRRRSA-N 515.400 6.188 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 59117348 WJGSCBUIXPDNEA-UVTDQMKNSA-N 506.172 7.065 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC)cc1 100193885 QZFSFSPPPIPJOM-UHFFFAOYSA-N 536.492 5.146 50 10 KKGE C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206276 KZCFXBAQQUUHCH-IBGZPJMESA-N 533.422 5.452 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 100233584 CPSIFZAXSAJHQW-FFWKWCQCSA-N 591.502 6.553 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2F)cc1 100234637 RSOCIMJUSJOLQG-WGNDPNKDSA-N 529.406 5.530 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 100237804 HZVJMIDKBHEEKF-BATDETSNSA-N 603.413 5.141 50 10 KKGE Cc1ccc(-c2ccc([C@H]3C(C#N)=C4Sc5ccccc5N4C(N)=C3c3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 101036763 LPKOVQHSUMFHSY-AREMUKBSSA-N 561.648 7.545 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242475 OJBYYMOPHMOYFK-YMGIJWJESA-N 507.999 5.074 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101293406 BYUGAKKFRFEAMI-YTTGMZPUSA-N 595.051 6.930 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 101333599 OAOURIXLQBYGKB-KOEQRZSOSA-N 509.566 5.620 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C2=O)cc1OC 101339221 NVHNUXSJMSQSHI-TWKHWXDSSA-N 616.718 6.487 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1 101367432 ZARSBEOGQLKZFK-PLTNMMHCSA-N 566.585 6.004 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369372 YGBLHURYEPHBDC-MGBGTMOVSA-N 524.576 6.998 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388221 YRRBRVQSHCADOW-JGCGQSQUSA-N 617.485 7.174 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(Cl)cc1Cl 101391936 VXYUYSNUQZMPQY-OAQYLSRUSA-N 562.261 7.952 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2cc1Cl 101397585 JCLHUWXFHMXNPL-HKBQPEDESA-N 611.481 8.373 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)c(C)c2cc1Cl 101398847 CYSNIOCNDYTAMH-HKBQPEDESA-N 595.026 7.859 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 101512552 NLMMLTIYBDYIRY-ZDLGFXPLSA-N 540.345 6.020 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 101767399 JKXBUEXATUGQHY-CCVNUDIWSA-N 531.834 5.782 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)o2)cc1 102922173 HURPGKUHMLQRCK-UNOMPAQXSA-N 552.439 7.023 50 10 KKGE N#C/C(=C/Nc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 102924332 GTAIHAYMGKZXKE-HKWRFOASSA-N 507.641 5.191 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789492 CGHZSKWCWAKNQO-KGENOOAVSA-N 615.753 6.700 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 103789574 KYWTZINTLHJWTC-KRUMMXJUSA-N 569.108 7.720 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 103806279 FIEPCZNZKAMTEB-FDZPKNHRSA-N 620.112 6.453 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4ccc(C(F)(F)F)cc4)c3C)sc3c2CCCC3)cc1 103875370 GHTFISWPZMDFFH-JJIBRWJFSA-N 559.657 8.678 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463478 AONNSGJOUTYCHF-JGCGQSQUSA-N 641.507 8.381 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1Br 164217090 JVFNLOYXHUDYQK-OKCVXOCRSA-N 644.393 5.786 50 10 KKGE CC(=O)Oc1c(C[C@H](Br)CBr)cc2c(=O)c3ccccc3oc2c1Br 196428934 FDVVEWUDBVUMOO-NSHDSACASA-N 533.010 5.335 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205659723 BCFOMWYCYOTDTN-RSVCVEGMSA-N 536.672 7.390 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205778076 BFABMOATQOOCLV-NNJCEOGISA-N 716.819 7.188 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C2=O)cc1 214403054 DMCMQMGEAUABRR-YEYDTCFSSA-N 675.811 5.803 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1sccc1Br 232482397 GSBNAMQPASFRKM-JTQLQIEISA-N 536.852 6.362 50 10 KKGE CCc1ccc2c(Cl)c(C(=O)NN=C(C)c3ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc3)sc2c1 254372561 PTMGYEBIRXAVJO-UHFFFAOYSA-N 567.914 7.043 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2cc(Br)ccc2O)n1-c1ccccc1 254381341 LENQZBJOIWCBMD-KRWDZBQOSA-N 599.942 5.940 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(CN(c4cccc5cccnc45)S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 254493570 FVUMXCHPYXIDSI-UHFFFAOYSA-N 654.792 7.590 50 10 KKGE O=C(CN1c2ccccc2Sc2ccccc21)NN=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 254500778 IJGJEGRJBKNGTM-UHFFFAOYSA-N 546.612 6.201 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 254551132 ZCYSUKUMNVRFSC-NWIROFIJSA-N 551.603 5.622 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OCc3ccccc3)c2)cc1 254705369 WVNKNUMDXBSTKZ-ZANUJXICSA-N 518.617 5.253 50 10 KKGE COc1ccc(C=NNC(=O)CCn2nc(C)c(Cl)c2C)cc1COc1ccc(Cl)cc1Cl 263628454 HZPBXLSTXMMBDR-UHFFFAOYSA-N 509.821 5.588 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc3c(cc2Br)OCC3)c1 308418435 RVFXKGZZZAEROD-OAHLLOKOSA-N 572.860 6.235 50 10 KKGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)c(Br)c1 311401675 HKOXYSMDRDTIQL-UHFFFAOYSA-N 583.816 6.843 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccccc2CCO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616671417 JPPPCUSSHOVQRY-VWLOTQADSA-N 510.795 6.922 50 10 KKGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)cn1 703478680 BFLLGTZHQZAGIO-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237671 LNEYJHBOAIOTPD-SANMLTNESA-N 559.009 7.189 50 10 KKGE C[C@@H]1CN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2ccc(Oc3ccccc3)cc2)CCN1C(=O)OC(C)(C)C 725238785 PRNPRFDKTPEMCG-ZBLYBZFDSA-N 584.138 6.321 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1083817474 FQRQNBZZSNQKEG-LCGGHZHCSA-N 781.016 9.435 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1083949086 QTAHBBZMHUCNPW-NCELDCMTSA-N 548.603 5.445 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 1084021531 JYDBNOIWKXMRKO-UHFFFAOYSA-N 625.754 8.684 50 10 KKGE O=C(CCCCC(=O)NN=C(c1ccccc1)[C@@H](O)c1ccccc1)NN=C(c1ccccc1)[C@@H](O)c1ccccc1 1084322890 CVLMRNMQWDMXSO-HEVIKAOCSA-N 562.670 5.055 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084357589 QZZXPTVVWHMQCU-UHFFFAOYSA-N 528.200 6.301 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084484006 OFYMVWVRCUVYNB-UHFFFAOYSA-N 514.047 5.010 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 1084497843 VPTCLAJBICGKAF-UHFFFAOYSA-N 603.726 8.075 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2ccccc2c1 1084517189 ITNLSXDYJXNHBD-CIAFOILYSA-N 629.281 7.884 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc2c3c(cccc13)CC2 1084519965 UVDKFJOPFQVZHQ-UHFFFAOYSA-N 563.679 5.587 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084527132 VXRGOBQQPGDGAY-UHFFFAOYSA-N 542.060 6.300 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)c1 1084615484 TUWCIFOKYSEFJJ-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750806 MYHHGWCAYQSUTA-UHFFFAOYSA-N 504.896 5.488 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Oc6ccccc6)cc5)c(C)c43)coc2c1C 1772751591 GORBWZJRNBCAFE-UHFFFAOYSA-N 561.638 7.395 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@H]3S[C@H]4CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]4[C@@H]3O[Si](C)(C)C(C)(C)C)c2n1 1857789785 FENQMWUCQWLUQM-GHCZAOPSSA-N 623.969 6.589 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)ccc1O 1865681574 QRSLXZQXBIZJHH-DEOSSOPVSA-N 559.420 5.633 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865687613 VYRUGRKEIBZCIF-MHZLTWQESA-N 512.997 5.699 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865690781 AYMYKRQWYHUQMS-LJQANCHMSA-N 563.374 5.728 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865691220 MZHSLPZGPHUPIJ-RUZDIDTESA-N 537.458 6.129 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865691383 QPJBFHKUHNLKRM-QFIPXVFZSA-N 512.532 5.664 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865691529 UXGBDKUQELJKDJ-HXUWFJFHSA-N 553.368 6.604 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865692661 HIUJQNRDMIVUTI-VWLOTQADSA-N 510.569 5.753 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695011 HTPQODCJYWWBCH-XMMPIXPASA-N 513.425 6.283 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697332 ZWKGACMNVLXBNW-QHCPKHFHSA-N 529.394 5.543 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705155 NOJMQMIDHSECNS-NDEPHWFRSA-N 555.078 6.652 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711883 KPVPEZJLVOHFJI-LJAQVGFWSA-N 510.597 6.645 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1OC 1868207082 FRVALAHRPLTFSA-AZGAKELHSA-N 553.688 6.104 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207859 QQOPSRWMVODIPU-XMMPIXPASA-N 555.729 6.074 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868433806 RBJRXCSEBKRXRA-UHFFFAOYSA-N 556.095 6.399 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)c1 1868565048 GOTRNCNNVHWKGG-HKBQPEDESA-N 542.668 7.016 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872758663 KHADJFNGYTVAQY-YEGVJEGQSA-N 507.999 5.976 50 10 KKGE C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1884228194 UVVNVXRGCNEAEW-VKHMYHEASA-N 500.648 6.193 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(I)ccc1Cl 1904943173 SQKDFRMARXKLCK-INIZCTEOSA-N 565.617 5.180 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915297482 HPRXLHXVTLPNRQ-GOSISDBHSA-N 518.087 6.274 50 10 KKGE CC1(C)[C@@H]2CC([C@@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]21 1924571776 UGKYDSCAWIDKCT-ZXFLCMHBSA-N 521.938 7.154 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2csc3ccccc23)c1Br 1924600183 PKMJHIOSQRPGNM-SNVBAGLBSA-N 545.941 7.735 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCOc3ccccc32)c1Br 1924601093 VCEACDWVKQTYPU-LDYMZIIASA-N 545.916 7.038 50 10 KKGE CC(C)C[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924604626 FQLXNILJUNRJEM-FJXKBIBVSA-N 509.927 7.154 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1950754074 IXCQEFQTXNAOMB-PAKKCRSFSA-N 521.816 6.670 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 2053623320 RCCPBAROUNRZOM-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCCC2 2141472087 ZQNYLDPBNRDXCN-FUXBKTLASA-N 536.327 7.597 50 10 KKGE CCCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 2175003624 FBSXYGBKNQNEIJ-TVYUQYBPSA-N 540.994 5.493 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cc(I)sn1)OCCCO2 2176538844 NZDRCOQQQBDMGP-ZDUSSCGKSA-N 531.007 5.156 50 10 KKGE Clc1cc(CC(CBr)(CBr)c2cccc(Br)c2)c(Cl)s1 2195407117 IHBRRXFIXXYSIW-UHFFFAOYSA-N 521.927 7.088 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(Cl)c(Br)c1 2203005192 YEDBAPIXXFXYDX-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE COCc1csc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206396516 XUITUYJAWXTQHF-ZDUSSCGKSA-N 568.350 7.273 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)s2)c(C)c1Br 2227363046 STNSLFKODWWTRH-AWEZNQCLSA-N 531.933 7.445 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)s1 2233017427 CBLBCDIBIFGRTA-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Cl 2233975036 IEUAZAWJNFLNDU-AWEZNQCLSA-N 550.285 7.559 50 10 KKGE COc1ccc([C@H](Br)Cc2ccccc2I)cc1I 2269551392 YLRWTAFLIKQZBJ-GFCCVEGCSA-N 542.980 5.583 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2283576340 FFNZBCNYBOEYIP-ZDUSSCGKSA-N 678.609 8.323 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 2296720926 YPDPQBMIZBDHHH-UHFFFAOYSA-N 507.333 5.348 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518428 CASPRAZECVLDIU-UHFFFAOYSA-N 593.248 7.040 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313624317 OZPSVEHHKCQBMC-UHFFFAOYSA-N 548.824 6.058 50 10 KKGE N#CC(=Cc1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 2313624586 WEJDAIZYDKKEFE-UHFFFAOYSA-N 506.425 5.768 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593165 INSFIMUXLILDJM-DLLPINGYSA-N 551.756 7.456 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593820 UDZKBUIXJSCLRM-XMMPIXPASA-N 552.483 6.135 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618256 KFGJQGTZYNDYEU-VWLOTQADSA-N 556.666 6.990 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634747 FKBHVWYPOHXFII-GDLZYMKVSA-N 565.453 7.018 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1C 2321672250 UQXLSCVDOMBEHR-UHFFFAOYSA-N 503.606 5.980 50 10 KKGE CC(C)CN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 2331279405 VOSWLBBLROUASI-UHFFFAOYSA-N 508.397 5.774 50 10 KKGE BrCc1cc(Br)ccc1OCc1cc(I)ccc1Br 2341778016 AKQYODGESUNPAN-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361173743 VHDXBUNJYIPVPK-DQLDELGASA-N 514.279 5.679 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2cc(I)ccc2Br)c1 2366877080 RMMMLRSJDNNXBR-OAHLLOKOSA-N 504.420 7.273 50 10 KKGE BrC[C@@H](CCc1ccccc1)Cc1ccc(I)c(Br)c1 2377334060 GIQNDFCJSHEFFM-HNNXBMFYSA-N 508.035 6.240 50 10 KKGE COc1cc2c(cc1CN1CCNCC(C)(C)SSC(C)(C)C1)[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 31417737 QOTNZNBKAAJYRC-TXUMSWNFSA-N 530.844 6.464 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 38659887 SLPHRLZLHLTCSM-NDEPHWFRSA-N 514.578 5.204 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 38679369 MTRUSTYBPFRPIG-LJAQVGFWSA-N 514.578 5.249 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38685083 QLSBPMQLWJXJOV-MHZLTWQESA-N 504.970 5.721 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C3CCC(CCCC)CC3)ccc21 38700832 ITJNMVQSFJUDSF-UQIPPQJZSA-N 502.655 6.986 50 10 KKGE COc1ccc(/C(C)=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1 58991886 OZXQTAMYLYEYPY-JBASAIQMSA-N 513.667 5.474 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Br)cc1 100154543 BXCHGVRXZWUFDU-UHFFFAOYSA-N 556.910 5.166 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100192117 AFYJLDLHSCZEPB-UHFFFAOYSA-N 552.469 5.863 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 101194302 KNUSWDJAYOXVNH-OMNSNBSWSA-N 530.646 6.183 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101337528 RBQHTISZNITYNU-XLKFHUSGSA-N 502.549 6.032 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101338983 DVQOQGMMJHXFKO-AJBULDERSA-N 603.122 7.697 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCCC(C)C 101368318 LFEJQDKTLWNMBF-MHZLTWQESA-N 529.549 5.466 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101377209 HALZIFDXWBAOBN-JOCHJYFZSA-N 574.502 6.154 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379091 IQTFYMKEEQMWCJ-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383514 WFFADMHZBLYUGG-WJOKGBTCSA-N 553.014 6.294 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101395405 ADNPZXIVJAKQIS-HKBQPEDESA-N 566.654 7.319 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101397537 GWVXFBWMLRGVNR-KYJUHHDHSA-N 566.997 5.883 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101398756 WOUZMBATCWWKEE-NDEPHWFRSA-N 617.485 8.364 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 101620098 LTJPSNSWBXBVDN-UZWMFBFFSA-N 534.012 6.265 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N 103877335 BVGCTUYYOCSLLJ-BIZUNTBRSA-N 557.448 6.280 50 10 KKGE CCOc1ccccc1N/C(SCc1ccccc1C)=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1 105423091 GYEVQSRNWDYWSN-KRUMMXJUSA-N 531.678 5.850 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CCCC2 107666937 QJOCMPRNZSXIGN-ZHZULCJRSA-N 502.592 5.547 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCBr)OC(=O)CCCCCCCCCCCCCCCCC 150387946 DWQSVMJWGAFBMN-LDLOPFEMSA-N 811.961 13.493 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483802 AOYRHJAHRGGFQP-WJOKGBTCSA-N 637.903 7.437 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 150497889 GPMBUQUIXBXESH-QXUDOOCXSA-N 641.127 7.573 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 163332541 DCUHVFVIPMYJLW-MWAVMZGNSA-N 618.713 7.021 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 163801711 QXOUIJXDYXWZOB-IPBVOBEMSA-N 625.086 7.202 50 10 KKGE CCOc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 164603997 IKUCHQWHBRHVGC-FMFFXOCNSA-N 636.568 6.324 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 164643991 CRWRDTSVCVWWJJ-IPBVOBEMSA-N 735.541 7.401 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 208279873 MHNHIGWCUNOEFZ-HJCKZFGESA-N 578.822 7.136 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(OC)c1Br 224842708 IGIWTXKYOLIDSY-LLVKDONJSA-N 505.453 6.381 50 10 KKGE Cc1sc([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232345574 CMCFACSFLWDOPL-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)c(Cl)s2)ccc1I 232345603 VPNXAOURCAPREB-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O[Si](C)(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 245204694 GAYMGJQYVVDZLC-FYQWHVDKSA-N 965.425 6.690 50 10 KKGE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=Cc3c(OC(=O)c4ccccc4)ccc4ccccc34)cc2)cc1 254742681 OWTODMMIHJFLBJ-UHFFFAOYSA-N 563.635 5.932 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(/C=C\c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 254851544 OUBSJZNXCKQCTJ-XDLPTTOBSA-N 515.573 6.380 50 10 KKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nc3ccccc32)cc1 254869029 ZYEYEYYWORSYQG-UHFFFAOYSA-N 514.654 6.942 50 10 KKGE CC(=O)c1ccccc1NC(=O)C(CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C)=NNC(=O)c1ccccc1S(N)(=O)=O 254873799 ISWWGUXWIOCRKT-UHFFFAOYSA-N 745.843 5.819 50 10 KKGE CCCO[C@H]1[C@@H](Oc2c(I)cc(Cl)cc2I)C[C@H]1Br 388231415 FZJQJBPEZFVHIY-JFUSQASVSA-N 571.418 5.259 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(Cl)c(Cl)c1Cl 405084680 NMGGHTNFGGSRBY-SNVBAGLBSA-N 542.707 8.310 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cccc(I)c2)s1 710854895 KBFOSZRDZAQWOE-LBPRGKRZSA-N 502.009 5.746 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2I)c(C)c1Br 724907970 DTXINPHBZJBVHJ-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE COCO[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OCOC)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 725239006 IWNJMTRACSXNRV-AWTDTEFFSA-N 747.190 10.251 50 10 KKGE CCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 1081098234 HAALVGXWFWEELP-UHFFFAOYSA-N 508.640 5.958 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1083849899 QGFLPRPITLVLHQ-UHFFFAOYSA-N 596.692 7.897 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(C)cc1 1083897938 SKIDHVRRDSIBQJ-UDWIEESQSA-N 572.830 6.776 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)cc1 1084093024 IWULOCACPZYDJZ-WJOKGBTCSA-N 604.545 6.798 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 1084231381 KOEHOFJXQGGAOH-UHFFFAOYSA-N 553.625 6.372 50 10 KKGE CC(=NNC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=NNC(=O)c5cccc(Cl)c5)CC[C@]4(C)[C@@H]3C[C@H](C)[C@@H]12 1084248794 HHBZLPGKWFBREO-HQDWCVLKSA-N 619.637 8.320 50 10 KKGE CC(=O)Nc1cccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 1084270224 XSIBUJHSQYPLHN-UHFFFAOYSA-N 540.645 5.195 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084380566 IUMWHHUIJPAVJY-VIZOYTHASA-N 556.660 8.087 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2c3ccccc3cc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084420397 UHPYTLUGYPMILA-UHFFFAOYSA-N 567.667 5.664 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)cc2)cc1 1084461354 LQUZEHCZKMVBFG-UHFFFAOYSA-N 598.725 5.482 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(Br)c1OCc1ccccc1 1084473467 HQXQHEBWQLHMQA-UHFFFAOYSA-N 584.470 6.045 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1084501275 MKTURICOTGUHPS-UHFFFAOYSA-N 632.069 6.000 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cccc(Br)c1 1084578398 ZHFIHZAVPDXHAN-UHFFFAOYSA-N 595.519 5.565 50 10 KKGE CC1(C)[C@]2(C(=O)ON=C3C[C@@H]4CC[C@@]3(C)[C@@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@@H]2Br 1772721805 YPMAEAXWRRXLMA-MUNWNWOSSA-N 633.057 6.793 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1848349832 GIYFCLWJTRRGLG-KAYKXECHSA-N 532.958 8.909 50 10 KKGE in-vitro C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2(C(=O)OCCCC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848433196 USHNKMAEUOADPZ-FMHUIBOPSA-N 741.259 11.863 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc(Br)c1O 1865688395 QZVLEZNGNCHTSY-XMMPIXPASA-N 573.447 5.692 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865691307 PDLLKQHCUZRHMN-HXUWFJFHSA-N 577.401 6.037 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697192 PDJDDAUYVWXSIF-HHHXNRCGSA-N 540.595 5.760 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OC(C)C 1865697541 VZMXTDCHXYNCOB-HXUWFJFHSA-N 502.468 5.103 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865701935 ISIYJXWCOFIUKN-HXUWFJFHSA-N 501.940 5.668 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865703062 LZCHTRRSSMHARL-JOCHJYFZSA-N 503.484 5.392 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704250 RFMHRTZEZPMOHH-AREMUKBSSA-N 514.988 6.083 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704822 FNGZQQPJDDCUFQ-AREMUKBSSA-N 541.007 5.593 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705326 SIOGMHNUSPIWHC-AREMUKBSSA-N 525.008 5.975 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709274 SQMXLMJPQJTHGF-GDLZYMKVSA-N 557.695 5.387 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865712596 CLOGTBAFNMJOEF-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866132028 YQFGYAQIZCCAJY-YBFXNURJSA-N 509.425 6.517 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)c2ccccc2)cc1 1867089025 IPGYIVFJMLLRRJ-HKBQPEDESA-N 558.663 6.143 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OCC 1872794504 FZHLWFVOAOICLY-VCHYOVAHSA-N 503.451 7.767 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 1873795492 MNABEEIHNORWKZ-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE CC(C)[C@@H](CCl)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904343731 MANXMWRKGYAIQK-LJQANCHMSA-N 506.653 6.319 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922929282 HVNLEXNSTMSASA-JTQLQIEISA-N 535.896 7.276 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1sc(Br)cc1Br 1922938801 FWADDAANJOLABD-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@H]32)c1Br 1924570144 FQIXKTITJFEHGY-LENIQADQSA-N 509.883 5.754 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924608503 JGHRUNMCCHBSJX-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE CC(C)C(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1986772669 GWYIQOZBZLQZHU-LURJTMIESA-N 505.842 6.763 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1sccc1I 2023697354 FFVWCHSROVSUJN-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c1C 2082884168 JMMIFMBGBPACDB-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE C[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2085494898 GIKMYLLPPNIUTD-CQZAFVHCSA-N 526.288 6.584 50 10 KKGE C[C@@H]1C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085495226 IYQFBCPSPPERQZ-JPOPXJHUSA-N 526.288 6.442 50 10 KKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475200 KBCUPNKKJWXXNA-FXQIFTODSA-N 584.766 6.988 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC3(CCCCC3)CO2)c1Br 2166267665 QYPSSEJXVKBQMR-PSASIEDQSA-N 551.964 7.211 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(I)ccc2F)cc1Br 2202901754 HAUBRVNCTINISZ-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccccc1I 2218597484 MIVCMVRYEDCKQH-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(F)c1F 2225931294 OBFFRUXXYBEDFN-NSHDSACASA-N 505.897 5.955 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)c(C)c1Cl 2232513299 WRBJNMURXRHMNM-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Cl 2232528012 QLVFWGWTUWQDBS-CQSZACIVSA-N 546.322 7.729 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Cl)c(C)c1Br 2235602345 CVHJIHAFAORHGH-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2237458969 VVAFKQUBCSORST-JTQLQIEISA-N 505.834 7.336 50 10 KKGE Brc1ccc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1 2278022466 OVBOPRRQEBEZTJ-CYBMUJFWSA-N 545.941 7.735 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2288494923 MXWWIPDYBWFNMQ-LLVKDONJSA-N 537.793 6.876 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2Cl)c(Br)cc1OCc1ccc(Cl)cc1 2294619993 YRDKAOQTEIVPEL-UHFFFAOYSA-N 523.641 8.061 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1 2296648369 HBQWBZBTNJCCAD-UHFFFAOYSA-N 567.907 9.112 50 10 KKGE COc1ccc(OC)c(C=C(C#N)c2nc(-c3cc(Br)c(O)c(Br)c3)cs2)c1 2297497659 OTAJKTPSPGTXSK-UHFFFAOYSA-N 522.218 6.122 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 2313518217 UYFJKDLLKIHFRC-UHFFFAOYSA-N 519.439 6.898 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)C(=O)N1CCOCC1 2314478673 QOQIQSWUUWCYFZ-UHFFFAOYSA-N 525.008 5.537 50 10 KKGE Clc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314500171 KRIGWRWQFSMYCQ-HXUWFJFHSA-N 548.045 7.614 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccccc3F)nc12 2314531584 CPAODLROSJNYLO-UHFFFAOYSA-N 519.330 5.243 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592026 KDLYIQDHXDRIJS-XMMPIXPASA-N 536.484 6.929 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314618419 NGDMUZLFLUEKQZ-UHFFFAOYSA-N 550.659 5.820 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618657 RCCFEECAYUWVRT-OAQYLSRUSA-N 527.020 6.671 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281565 OLPVGFYQAOSJPW-UHFFFAOYSA-N 512.478 5.608 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 2331351766 XDURTVDDNNSNDA-UHFFFAOYSA-N 506.961 7.827 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373234 OXIWSGSESNLRBX-OAQYLSRUSA-N 501.652 6.406 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)c(Br)c(OC)c1OC 2331393213 YFUJVUZQTSOLGK-UHFFFAOYSA-N 515.429 6.474 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O 2333257266 QAGNTHOJEGTRBR-QKXSZEKQSA-N 526.922 9.641 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2338859075 BQGNRVKEOCYLFN-SECBINFHSA-N 517.841 5.201 50 10 KKGE Clc1cccc([C@@H](Br)CCc2ccc(I)c(Br)c2)c1 2349834414 HAFXBKWJXRTUCK-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220108 FEBDTKOFJOVPNF-NSHDSACASA-N 554.248 7.390 50 10 KKGE Clc1ccc(CO[C@H](CI)c2ccccc2Cl)c(I)c1 2365635541 HUHGLCWTFAXYRW-OAHLLOKOSA-N 532.974 6.291 50 10 KKGE CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1 8448736 BDTPACHQOZSPKC-NHCUHLMSSA-N 509.400 5.813 50 10 KKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 13563417 YEOQTKPIKMKJOC-YZYPULCFSA-N 512.393 6.197 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 38681691 RZENWWYYSUYGSB-LJAQVGFWSA-N 512.606 5.975 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OCC 38683951 JRYQHHZUDAEEDD-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 38687167 FPPQDXSLUDOALM-DEOSSOPVSA-N 523.416 6.737 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1 38701268 UJEPXKDLWMETLE-HHHXNRCGSA-N 512.537 6.497 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 40530361 LOGXJMJYVXMAGK-XMMPIXPASA-N 517.006 6.699 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816165 PHMXHXCEAZTSNT-MHTZHOPKSA-N 519.557 5.582 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1C 40816304 QGGVXRCVYLCJMW-TWKHWXDSSA-N 514.409 6.000 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826653 CRSKSKDXKRRPPE-AWSUPERCSA-N 518.013 6.564 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2cccc(Br)c2)cc1 97955553 VMVIXDSOCYOWRP-UXMZGZJCSA-N 769.288 7.181 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 100163941 WIHAYEVNRKGLRF-UHFFFAOYSA-N 583.508 5.138 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212044 WYCIWSXACKSWCY-UHFFFAOYSA-N 598.291 5.826 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 100327360 LQFGLKWNTRTHRB-FEGPCZTRSA-N 531.834 5.654 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(Cl)cc3Cl)nc12 101115880 JJEQKEGSCKVDST-PTNGSMBKSA-N 525.779 6.301 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 101337140 GAZSHAVKOOPQJM-VEWOPZLGSA-N 536.632 5.489 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)c1 101362576 UCVLPHCPESGEGA-HKBQPEDESA-N 532.596 6.492 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(Br)c1 101363464 RBYLCQQCBGNLDC-HSZRJFAPSA-N 556.210 5.414 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383673 KHASKEKUKHUFCW-HKBQPEDESA-N 536.559 5.916 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386777 CGZCOGWTXISEEA-MGBGTMOVSA-N 594.639 6.885 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccccc1Cl 101391003 ZETCHWXNNMYNAO-NRFANRHFSA-N 527.816 7.299 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)oc2c1 101397949 BZQNGCQWCQISFJ-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611914 GBZKZXJYXQGGDD-DFKUXCBWSA-N 537.399 6.503 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)s1 135309537 LYURPBPKHXXULF-NSHDSACASA-N 519.878 6.529 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150431952 AKTIBQSPKSFGDW-JGCGQSQUSA-N 669.503 8.058 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442131 UGCHHDFVQAECKK-YTTGMZPUSA-N 685.958 8.572 50 10 KKGE CCCCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 150446293 LAVMOQQXXLFBNZ-FOXLNIFNSA-N 656.872 6.839 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc43)cc2)cc1 150481447 DZSQFGWFJPBBQZ-VWLOTQADSA-N 690.794 9.044 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cc5ccccc5cc4O)cc3[N+](=O)[O-])sc2c1 164018564 QLNHAVUJIYZSOL-FABQOPTDSA-N 633.711 7.539 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@H]2[C@@H](O)O[C@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)[C@H]2Cl 206561305 SDRWSRCEUKKHJY-YFEHPKQWSA-N 599.281 6.364 50 10 KKGE in-vitro N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 209396080 IIYGYPKQFKSSRI-QPEQYQDCSA-N 518.335 7.549 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214362944 XFODTAORSPXAAA-XYGWBWBKSA-N 551.603 5.771 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1I 236230496 XSMRHIXQCOTGIL-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE CC(C)(C)CC(C)(C)c1cc(Br)c(OCC(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccco3)cc2)c(Br)c1 252615180 JQIJEJQSDAMXRW-QUKJOAQZSA-N 660.403 7.666 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 253568124 KWBVPGOKSPTIQO-IPCMNJIFSA-N 554.312 7.010 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 254410090 DNCQFCGLLFCLDK-UHFFFAOYSA-N 608.116 5.672 50 10 KKGE CSc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 254813391 KDMIJDLCIWFQKY-UHFFFAOYSA-N 520.705 5.290 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)c3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019830 HHBWIEUXWSRZGE-KSADMFMESA-N 624.366 5.815 50 10 KKGE Cc1cccc([C@H](Cl)c2cc(I)cc3c2OCC3)c1I 383358121 HWGRTOZKJNBXNF-AWEZNQCLSA-N 510.540 5.467 50 10 KKGE BrCc1cc(Br)c(OCc2coc(Br)c2)c(Br)c1 393561743 WLHROAMGKCDGTN-UHFFFAOYSA-N 503.810 6.041 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584202 AQLURWHBCUUICR-URESZWQBSA-N 710.852 7.267 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C 616589827 YYUGVIOYZAQJHH-VEQYQAHKSA-N 789.947 7.885 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(I)c1 1084041896 QGFPFKFGEWXBLU-VGOFMYFVSA-N 592.602 5.123 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 1084130544 WHWVFSPGRCOLMQ-UHFFFAOYSA-N 596.525 6.264 50 10 KKGE CCOc1cc(OCC)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084217395 VZBJSPLYKKIEEQ-UHFFFAOYSA-N 546.465 6.777 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084226173 PWKCPTQCNCDBJK-UHFFFAOYSA-N 567.033 5.551 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084437020 GTUGYLHBMXHTGW-LZYBPNLTSA-N 577.218 6.797 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1084562037 FTQUCDSEUCCRMA-YBEGLDIGSA-N 536.242 7.824 50 10 KKGE CC(C)(C)OC(=O)COc1ccc(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 1084578978 MBKHGCFQZWOAEX-UHFFFAOYSA-N 511.043 6.117 50 10 KKGE COC(=O)N(C(=O)N/N=C1/c2ccc(Cl)cc2C[C@@H]1N(C)C(=O)c1ccccc1)c1ccc(OC(F)(F)F)cc1 1614330629 OPTPAXMCHYGWMF-TXKPVHCGSA-N 574.943 5.622 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747295 MSLASNRKRLEAMP-UHFFFAOYSA-N 570.465 6.061 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)c1 1772748207 OPWMYADOFPRUNO-UHFFFAOYSA-N 516.381 5.635 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccccc1O)CCC2 1772751584 GIOIUQIJCUYOSI-UHFFFAOYSA-N 534.366 5.294 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682832 YHBHCCSNUWIUBP-HHHXNRCGSA-N 502.549 6.117 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686682 YLJLMELDZHISRI-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688816 BSVXEQYTFSWXSL-HSZRJFAPSA-N 553.833 6.491 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690099 ITACSLXZYLIQCZ-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691293 OSISJZIBQQRYHE-MHZLTWQESA-N 569.533 7.377 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1 1865693528 KMBOPNXSUCIXJQ-RUZDIDTESA-N 512.997 6.208 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694780 BHVQGLPWUXRLIJ-HHHXNRCGSA-N 563.460 7.127 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865696477 NPCYAKIAIOYAGF-QFIPXVFZSA-N 564.967 6.538 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701296 ROOISQFTSUSLII-FQEVSTJZSA-N 537.369 6.662 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867097520 COVNLWRGZSHVOL-CUNXSJBXSA-N 521.633 6.424 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867109423 MXNOWPKGZUFXLY-WNCULLNHSA-N 503.643 6.285 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1868253555 LGLZKNLJHSEORG-UHFFFAOYSA-N 549.060 5.012 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C 1868433710 QCTPXUZTCUODLL-OALUTQOASA-N 509.079 5.659 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)C2 1868566344 XOYTYRFNDKTOJI-UHFFFAOYSA-N 524.650 6.170 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OC 1872748355 UDTXPHCDAJREED-JAHJUUQCSA-N 503.805 6.749 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1Cl 1872756348 YDLVJRXHKJZGNK-UDWOFDDZSA-N 500.407 5.967 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872782911 WUUYUYUGPCWCNS-OVVQPSECSA-N 505.042 8.774 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)c2ccccc12 1872795121 OMVVBPWNTCHAEM-NCELDCMTSA-N 524.645 8.768 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)sc(Br)c2Br)nc1Br 1924608740 MICNXFMMFGTTJM-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@H]32)c1Br 1924609501 YOBKQAWGRXUPEC-YYWONIAYSA-N 507.911 6.908 50 10 KKGE FC(F)c1cscc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924613242 HLQWTNHJIRJDII-ZETCQYMHSA-N 501.437 7.363 50 10 KKGE Cc1nc([C@H](Br)c2cc(Br)sc2Br)c(Br)s1 1980607210 YGVSYJMTCYGEKR-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE Cl[C@H](c1cc(Br)sn1)c1c(Br)sc(Br)c1Br 1983290979 OPNFIWKHZXMRGG-ZCFIWIBFSA-N 531.314 6.583 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012743 ISLUIHYFJMYECW-PBROGJEYSA-N 588.509 8.930 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)c1C 2082878075 GROSVXLCKGQVBA-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE C[C@@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085495175 IGHXXIMVFPYAJX-ZXPFJRLXSA-N 548.316 5.450 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2scc(Cl)c2Cl)c1Br 2136373831 GIPYMUIOZCHBLT-NSHDSACASA-N 507.900 7.681 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c(F)c1Cl 2136967847 ZASGZRAQWLUQSR-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC2CCC1CC2 2206406058 UTYKWKFRVGVVPN-PRFJFZKWSA-N 550.354 7.843 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N1CCCC[C@H]1CCCBr 2206653312 VXHCURXAAJJHGM-LBPRGKRZSA-N 515.027 5.224 50 10 KKGE Brc1cc2sc([C@H](Br)c3sccc3I)cc2s1 2252873364 DKTOYYGMUUKRNM-JTQLQIEISA-N 520.074 6.876 50 10 KKGE FC1CC2(C1)CC([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2259486092 SXWMVWCWUIXYQJ-QANOSFDNSA-N 525.901 7.000 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCCCC23CC3)c1Br 2264961137 KNKGSAAXBKLZCH-DTWKUNHWSA-N 535.965 7.832 50 10 KKGE Fc1cccc(I)c1[C@H](Br)Cc1ccc(Br)cc1Cl 2267651794 PWDFGNGRDKSQPO-SNVBAGLBSA-N 518.389 6.525 50 10 KKGE CCc1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)s1 2277953583 AOLQWWHOLKSWAM-SNVBAGLBSA-N 532.921 6.672 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)ccc1I 2277957918 YMYCYHFEYNMBEE-CYBMUJFWSA-N 579.295 7.101 50 10 KKGE COc1ccc([C@H](Br)c2c(Cl)cccc2Br)c(Br)c1Cl 2283569162 WTVHGGRZBMFKRO-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c(C)c1Cl 2283584185 PPWZFMXRFAWUOG-HNNXBMFYSA-N 504.420 7.306 50 10 KKGE COc1c([C@@H](Cl)c2csc(Br)c2Br)cc(Br)c(C)c1C 2284585662 SZFBUWGRWQOUCX-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE COc1cc(OC)c([C@H](Br)c2ccccc2I)cc1Br 2295437047 JCCKZEKYINEPQG-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483049 UWXCRNPVLWKRDU-UHFFFAOYSA-N 513.553 5.643 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 2313518906 YULDWYHWWNZIPH-UHFFFAOYSA-N 634.224 6.095 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 2313567280 IAWDDTZIXVPMBH-UHFFFAOYSA-N 532.471 6.557 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314487492 IUCBEVCZXQPRDU-UHFFFAOYSA-N 507.958 7.442 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2314487662 HCPSXJVVMGTLDB-UHFFFAOYSA-N 509.432 7.489 50 10 KKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489922 WGCLWLOFDINEEV-UHFFFAOYSA-N 517.522 7.302 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592440 UAYRJKZFSAWVDI-VWLOTQADSA-N 546.490 6.385 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C(C#N)=Cc1ccc(Cl)cc1 2314753963 HHMWASCQKUQAGD-UHFFFAOYSA-N 501.926 5.068 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)C)cc2Br)c(OC)c1 2314772507 AOKALHVVTKMYAF-UHFFFAOYSA-N 530.415 5.816 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(I)ccc2Br)C1 2319224067 RTXKMVRRLVMHTI-GOSISDBHSA-N 636.106 5.775 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1ccccc1 2321683385 TWXGJWUTTWCTIM-UHFFFAOYSA-N 522.008 6.927 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)oc1C 2339652126 WDTONNNEQJEZCS-LLVKDONJSA-N 519.828 6.807 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)sc1C 2339652620 AYYCWIGXGSMJQP-NSHDSACASA-N 535.896 7.276 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 40529645 FOPQAFFZDGTZQB-DEOSSOPVSA-N 509.389 6.610 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(OCC)c(OC)c1 40977750 XUICNTZZVDBGMQ-DEDYPNTBSA-N 504.608 6.162 50 10 KKGE C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 59304723 QHKNKQONGSYBJX-PPFNPFNJSA-N 517.629 6.356 50 10 KKGE COc1cc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59462988 SALHJYYGQRECMS-ZRGSRPPYSA-N 504.377 5.087 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 100231882 GOKANFQLKXXXEW-PVEGLGLCSA-N 556.413 5.299 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1Cl 100336565 KXHIFVGNWWLKMC-JAIQZWGSSA-N 558.803 5.756 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101333074 WCHFMXZFMIKRAI-NDZAJKAJSA-N 577.084 7.164 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 101336224 JATWEJNJZOOOJG-YZSQISJMSA-N 573.093 6.389 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101337459 PEJHHPLKYIPHEQ-XLKFHUSGSA-N 563.455 6.655 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OCC 101373554 XGDJBSWLYXDOPX-MUUNZHRXSA-N 579.447 5.839 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OCC 101373878 CCQJPUIQXIHIIB-LTFAQVQWSA-N 545.035 6.755 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101375415 YNEOYKUZTKVTDO-HKBQPEDESA-N 577.077 6.900 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379363 KDRDHSYBENLXDZ-KATKFWMUSA-N 595.095 7.633 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101386623 JWIXHMUYNRNSJT-HKBQPEDESA-N 621.448 6.923 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387668 AJHNWZAWXCVFBC-HKBQPEDESA-N 611.492 7.173 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)oc2cc(Br)ccc12 101390094 CBEGRBBFCLCVLK-AREMUKBSSA-N 543.417 7.065 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101396024 PDEHDFCVCUOQFZ-JGCGQSQUSA-N 580.681 7.845 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397634 VBSBFBZVWIQCHW-SSEXGKCCSA-N 576.992 6.463 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 101405910 DSWWTULHPLGXRN-OZVJIIIZSA-N 600.656 5.202 50 10 KKGE CCOc1cc(/C=C(/C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCCOc1ccc(C)c(C)c1 101485970 OINOBYZXKZKQHY-UCQKPKSFSA-N 552.465 7.004 50 10 KKGE CCCCCCOc1c(Br)cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 101727517 VEACKDFKWHPCGR-WKULSOCRSA-N 611.027 7.826 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 103735311 OIHUDANYENOPCG-GKPLWNPISA-N 534.454 5.235 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2)cc1 103774503 QTKNNTAZYNWFNO-JWGURIENSA-N 557.027 7.010 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccccc1 103878357 IHJZEGJHEZBQDP-OCSSWDANSA-N 533.422 6.665 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)cc1 105456000 SWJHFMASSUIDAK-AVLPFNLUSA-N 622.791 8.413 50 10 KKGE O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 105543838 OVIGBSJYJWJQOM-UHFFFAOYSA-N 583.478 5.572 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@H]12)CCc1ccccc1 206777853 JKHADYMACPRLAF-CXERUVILSA-N 596.840 8.410 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cc(Br)ccc3I)ccc2N1 232484528 NZQKTQPVOWGIGO-HNNXBMFYSA-N 506.963 5.033 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)cc1 252620248 MADDMXLMOGRREE-UHFFFAOYSA-N 505.647 6.255 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)cc1C 254289547 JOSIMCJUJGBXGZ-UHFFFAOYSA-N 522.557 5.271 50 10 KKGE Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=Cc3c(C)c(C(=O)c4ccc(F)cc4)n4ccccc34)cc2)c1 254583971 XFYKCTKBNZGLCO-UHFFFAOYSA-N 561.657 7.393 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(OCC)cc3)cc2)cc1 254873282 IKPHXPKWSMZEFW-UHFFFAOYSA-N 608.651 5.434 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 254879717 NOKQERTUVNIZDV-UHFFFAOYSA-N 536.613 5.268 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2sccc2I)cc1Br 310366225 VPIANAJLOJLLGA-LLVKDONJSA-N 506.428 6.514 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 504672030 RWIUJRXXJFJUFX-OZFLXDGESA-N 701.893 5.876 50 10 KKGE ClCc1nc2cccc(Br)c2n1-c1cc(Br)ccc1I 700076086 XAJANEFRKHPZSV-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Clc1sc([C@H](Br)c2scc(Br)c2Br)cc1Br 705416733 ADYNZDIJZZYZKQ-ZETCQYMHSA-N 530.326 7.235 50 10 KKGE Cn1cc(CC(CBr)(CBr)c2ccccc2Br)c(Br)n1 714089903 SWKIHIMSROWOIW-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE Cc1cccc([C@H](Br)c2sc(C)c(Br)c2C)c1I 724909197 MKVMMYRXLWGIBJ-LBPRGKRZSA-N 500.037 6.525 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C 1083898730 HWZXFULYDGTDSS-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(Cl)cc1Cl 1084061548 GMZFZKSWBAJDFJ-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1084285204 ABQDKSGMIZOYRD-UHFFFAOYSA-N 627.166 6.916 50 10 KKGE COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 1084397127 RHTRPBNBRVUBAI-VZUCSPMQSA-N 518.578 5.507 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(Cl)cc2C)cc1 1084417574 NHUOBZPLINCLLJ-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084481973 BSKVZICGBCQMON-UHFFFAOYSA-N 649.778 5.913 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(OC(F)(F)F)cc2)C1 1614613983 HRGBPYRSQFQDDA-SJLPKXTDSA-N 505.274 5.372 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(OC)cc32)c2cc(OC)ccc21 1772720487 MXLGEMFLUIXGFW-UHFFFAOYSA-N 674.843 5.849 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749243 JSSWGGHLKPDXFS-UHFFFAOYSA-N 558.418 5.194 50 10 KKGE Cc1cc(C)cc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)c1 1772752467 RRCGYWUKNXLHKA-UHFFFAOYSA-N 526.818 5.165 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(C=NNC(=O)CSc3nc(-c4ccccc4)cs3)cc2)cc1 1772755154 QEYBUPLTVJYMFA-UHFFFAOYSA-N 515.704 6.929 50 10 KKGE CN[C@@H]1CC[C@H](O[C@H]2C=CC=CC[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@H]2OC(C)=O)[C@H]3OC)O[C@H]1C 1848435383 MGIACLJTFQJLSW-DKMKAXHYSA-N 985.339 5.741 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865683324 IVEQAAFHADPANL-DEOSSOPVSA-N 542.437 5.595 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686752 ZSSSQPRAINXIIB-JOCHJYFZSA-N 521.379 6.271 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cc(C)ccc1C 1865688194 MWNRGQLIMOAKNW-HSZRJFAPSA-N 504.512 5.947 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)cc1OC 1865693559 WWIPLKLRAIVEEY-JOCHJYFZSA-N 538.446 5.388 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696539 HAPHEPGXQXXJHV-OAQYLSRUSA-N 543.849 5.866 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701064 KUZNAFZIWIUEQU-HHHXNRCGSA-N 579.915 7.641 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)c1OCc1cccc(C)c1 1865705644 ATBAFXNGNKUXQA-HSZRJFAPSA-N 566.967 6.659 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705783 FVOBLSJPLYWGFT-MHZLTWQESA-N 524.596 5.747 50 10 KKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865711790 IEAPMYKSLZVLTB-PMERELPUSA-N 540.623 6.463 50 10 KKGE C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866942675 RIIUCZBAXVCQLO-SBUREZEXSA-N 508.441 5.492 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990683 MEWZPIXTRBYTRJ-RPLLCQBOSA-N 517.651 5.383 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)c2ccccc2)cc1 1867005278 KSUYKRMARYJUJO-FTJBHMTQSA-N 504.055 6.683 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2)cc1 1867044762 FULAZAKTRBOUPS-RBJSKKJNSA-N 569.712 5.809 50 10 KKGE CC[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1ccc(SC#N)cc1 1867089257 OCCURNLGGQFOST-RUZDIDTESA-N 510.619 5.180 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456506 QJEKTXZFJPYMEH-NRFANRHFSA-N 559.692 6.290 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n1)[C@H]2CC(C)C 1868544345 CLQUOZGINUUWSY-HKBQPEDESA-N 561.799 9.216 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1sccc1Br 1899881397 FPTAJEQROXFDIX-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924570036 DIGTVVNNOPZYGE-LURJTMIESA-N 572.740 6.016 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1C 1924570963 OFZMSQBWXCTUJO-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE COCC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1 1924571482 RYUXBJJATZVPPI-JTQLQIEISA-N 539.953 7.069 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23CCC(CC2)CC3)c1Br 1924614499 YUBDDELIPQSFKD-JRIBOLAGSA-N 521.938 7.442 50 10 KKGE Cc1nc(I)c(I)n1-c1cc(Br)ccc1CBr 1941556996 SSNXOKFUPXHGMQ-UHFFFAOYSA-N 581.815 5.047 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC2CCOCC2)c1Br 2003878504 XRXIPCBFZWYKMI-ZETCQYMHSA-N 511.899 6.288 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CCCC2)c1Br 2025779597 JPWKOWLXEVYCIL-SNVBAGLBSA-N 554.740 7.363 50 10 KKGE Brc1cccc2c([C@@H](Br)c3cc(I)sn3)csc12 2056486866 FYGOCNGMKUITJO-LLVKDONJSA-N 515.033 6.209 50 10 KKGE CC1(C)CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493789 HCAQASILQUGLIK-LBPRGKRZSA-N 524.316 7.453 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c(F)c1Cl 2136957290 BSPRARHJTGDZGE-GOSISDBHSA-N 502.580 7.444 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)oc1C 2141469508 VPEIPBHNKZLNIX-ZDUSSCGKSA-N 536.283 7.275 50 10 KKGE C[C@@H]1OCC[C@@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470470 HKCYSLWVRNPSGZ-PJKMHFRUSA-N 540.315 6.832 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472136 ADYGGSCBSIVPDH-SNVBAGLBSA-N 662.659 7.748 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146628749 PEDMGGOPADKNOJ-SREIQFSDSA-N 545.916 6.843 50 10 KKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(CBr)cc2Br)C1 2164876835 MJIBFLPPAOLMHV-UHFFFAOYSA-N 502.241 6.082 50 10 KKGE BrCc1cc(Br)c(OCc2cc(Br)ccc2Br)c(Br)c1 2175142521 QXRLCASATZQMHM-UHFFFAOYSA-N 592.745 7.211 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)n1 2201074919 BDOWGGREUBYAEA-CYBMUJFWSA-N 529.896 6.292 50 10 KKGE CC[C@H]1CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206398298 SXBWITBDQPDNOA-RVBZMBCESA-N 596.821 8.389 50 10 KKGE Cc1c(Br)csc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2226123287 FWFVSJLZEDPPKS-NSHDSACASA-N 617.220 8.197 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)cc2I)c(Br)c1C 2253466696 MKMJYOFPOMSCEC-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(Br)cc1I 2277956179 POKWRRRNMGSZDD-ZDUSSCGKSA-N 579.295 7.101 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1C 2283567311 AQQUPMXGLWOPNI-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CCN(CC)c1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 2293689700 STQXXRMIGFSMTH-UHFFFAOYSA-N 502.640 5.496 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295339069 DCIIYRFMHNCQHT-CYBMUJFWSA-N 529.867 7.100 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2297708114 FZEYBIOADRANQE-UHFFFAOYSA-N 502.579 6.198 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313567449 HOCSDZDKYOSZTC-UHFFFAOYSA-N 521.367 5.589 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2ccc(Br)cc2)cc1 2314433671 QGOFITZDPLJXSH-IBGZPJMESA-N 568.496 7.905 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2314531705 DBEFGRZLUYFTLT-UHFFFAOYSA-N 518.495 5.922 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314611745 ZRFCEMRNVIIFBB-UHFFFAOYSA-N 563.057 6.772 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314618285 KREULUOXWOXZOB-UHFFFAOYSA-N 506.574 5.211 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620199 MJLXJWDRFFZUNM-UHFFFAOYSA-N 610.711 5.670 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)cc1 2314808153 FRCDIGOKRDVBED-UHFFFAOYSA-N 518.053 7.865 50 10 KKGE COc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)sc1Cl 2317957252 JOOLKBATVKAYQK-LURJTMIESA-N 560.352 7.243 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699445 YQFGYAQIZCCAJY-UHFFFAOYSA-N 509.425 6.517 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3c(F)cccc3Cl)nc(O)c2cc1OC 2331044382 AWUXHTXQYXFVKC-UHFFFAOYSA-N 521.932 5.797 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1nn(C)cc1Br 2339650793 JGSFVPNUMRVOAE-SNVBAGLBSA-N 519.832 5.639 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2359121257 RYHQUGMIFLCIGG-FCGKXJCRSA-N 596.777 6.988 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1 14648317 QMHJVKCPDIBBFG-UHFFFAOYSA-N 518.452 5.205 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)c([N+](=O)[O-])cc1OCc1ccccc1 33656615 WJFFBICLMJSCJF-LQKURTRISA-N 501.564 5.578 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 33906714 NREHWXSTCZQXEU-XDJHFCHBSA-N 515.466 6.592 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc(C)c1Cl 38649574 XVVWQAHJOROIPD-MHZLTWQESA-N 502.998 6.283 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651699 ZCEIZPFBNCKXAZ-PSLXWICFSA-N 509.331 5.179 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)c1 38655539 XAFQXZFUVBQECL-VWLOTQADSA-N 509.389 6.610 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 38660244 NHAMQXGXWFEUOM-MHZLTWQESA-N 518.997 6.355 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38660927 MNDOIZJNBSPGPD-WJOKGBTCSA-N 518.569 6.244 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 38687030 JBWHDGTUMHPGQF-XMMPIXPASA-N 515.363 6.250 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc(OC)c1OC 38700415 CBKNGJWUMLLFAB-RUZDIDTESA-N 512.518 5.204 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1ccc(C)cc1 40951000 JFNDPBIWZZQRLP-WKULSOCRSA-N 525.443 5.998 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C)cc1 59304164 SFGWCBQTGLHWLO-RWPZCVJISA-N 507.384 6.245 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 100075327 CFXAUNKIYKQFDN-KCSSXMTESA-N 551.525 7.271 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(OCCc4ccccc4)c(Br)c3)cc2)c1 100212059 MBOQAGHXLZTAFA-UHFFFAOYSA-N 572.459 5.706 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 100234266 IMVDWOAIUXSIJN-ZHORMKCVSA-N 548.481 6.123 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 100238033 VQWIWXUCBPZMLI-HKUOXJNZSA-N 571.501 6.672 50 10 KKGE O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccco1 100987530 JWVWXQIMJSNMOD-CISRBEIWSA-N 608.286 6.480 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245973 UAYRJKZFSAWVDI-IEQIIXMPSA-N 546.490 6.385 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)ccc1Cl 101363853 BZTYHZHAFIVJDE-XMMPIXPASA-N 525.786 5.614 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 101369472 UUVITZVZVUMTTM-WJOKGBTCSA-N 532.596 7.095 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101373759 NCCRREDBEQHGIF-WRGVRERRSA-N 542.632 6.028 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374761 ITHOOIGVVDNCPP-FLASPHMUSA-N 584.713 7.369 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 101378242 ZKESIUGABUCWPS-NMEOXOFNSA-N 549.454 7.399 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381052 UKEKSMXMIGYEKU-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386015 ODZZHIMHBKSNJC-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386895 IYIYXYCGAWXXPG-GMWXTNTRSA-N 608.666 7.128 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 101394293 WDCAOBUXCMEJRO-FQEVSTJZSA-N 527.816 7.299 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609875 KVTYDYLYHUNIEF-GRYFXIPNSA-N 549.646 6.697 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1nc2ccccc2s1 103465235 QQMFMXSEZAJCPP-PYCFMQQDSA-N 529.643 5.754 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 103706746 BTVGQRQUTKRZSB-KVAAJVFYSA-N 615.180 7.094 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 103826512 WEXYPAOVLQCLAF-FABQOPTDSA-N 556.449 7.560 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Br)cc1 103880010 WBDFBZNLCKSTDQ-WCMJOSRZSA-N 612.318 7.428 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883237 KCHQDDYIBQYLET-PXLXIMEGSA-N 567.402 5.265 50 10 KKGE N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 103889356 KHNKMBLTPAZEOM-MOSHPQCFSA-N 552.255 8.034 50 10 KKGE COC(=O)c1c(/N=C/c2ccc(/C=N/c3sc(/C(C)=C/C#N)c(C)c3C(=O)OC)cc2)sc(/C(C)=C\C#N)c1C 105568761 RDGOEDVBMMITKZ-CBPXSWBKSA-N 570.696 7.355 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461516 WQTUEPGRHINSOQ-HKBQPEDESA-N 627.480 8.073 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206397179 BPOBRDSGUXNQOI-SVJPUMPYSA-N 593.680 6.399 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216505983 QNHJQZWJKMNXAN-QOCHGBHMSA-N 524.974 6.112 50 10 KKGE CCCCCCCCOc1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCC)cc1 252590201 AQYIORYRDCLDJG-UHFFFAOYSA-N 505.453 6.116 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253575766 UZWSVKILNKMAGM-LLKOYHOCSA-N 618.211 5.845 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 254387227 PQTPCAZNDKJYTB-IBGZPJMESA-N 658.924 6.251 50 10 KKGE COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NN=Cc4ccc(OC)c(COc5cccc(C)c5C)c4)c3N2)cc1 254404981 AWLYGXKMJFUCBH-WNJJXGMVSA-N 607.633 6.520 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 254440088 CWQXHBTYAZZHST-UHFFFAOYSA-N 500.561 7.208 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccccc1 254520718 SXALTYXQAOHNFQ-UHFFFAOYSA-N 510.546 5.023 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254557043 CTYRBNWJHHIHNW-UHFFFAOYSA-N 544.731 6.029 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccc(NC(=O)C(F)(F)F)c1 254700002 WOYVCJURIPSEHO-UHFFFAOYSA-N 545.348 6.863 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)sc2Br)c1I 300472020 MKRCJMVYVIAMQM-JTQLQIEISA-N 550.879 6.670 50 10 KKGE Clc1ccc(I)c([C@H](Cl)c2cc(I)cc3c2OCC3)c1 312862087 NGOMJVAWYNETGT-AWEZNQCLSA-N 530.958 5.812 50 10 KKGE Cc1cccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c1I 383358124 HWGRTOZKJNBXNF-CQSZACIVSA-N 510.540 5.467 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 1084247947 VQXQEGAMNMPLOC-UHFFFAOYSA-N 516.431 6.065 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084250152 TWOMHABEJLEBFJ-UHFFFAOYSA-N 540.508 6.660 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(Cl)c(Cl)c1 1084308051 GMSKBEQWZXIWGS-UHFFFAOYSA-N 544.869 8.535 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(I)cc1 1084323025 XYGOKPWRSLITHM-PXLXIMEGSA-N 705.334 5.739 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084344470 LDJXFZVETGMZLR-VIZOYTHASA-N 545.204 5.571 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 1084394214 TYQJEIAFYNQLKJ-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccco1 1565517427 NGAWAOZQDUJGMK-PMERELPUSA-N 590.640 6.006 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653266 FTNRTOHMGSYHAL-GYCILGMWSA-N 552.483 6.306 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742951 UOKUBEXIVLKJGO-PPBORXCNSA-N 532.065 6.042 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1 1772754889 DTUMLHPFMDXWRJ-UHFFFAOYSA-N 572.539 7.337 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 1848434932 QYWAENWZQGVWKH-QFZYIEPZSA-N 691.460 7.202 50 10 KKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865684118 UBKMDSSHRQGLFI-HSZRJFAPSA-N 502.405 6.130 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865688424 RSEJKSXOOQIYDZ-HSZRJFAPSA-N 509.404 5.349 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCCc3ccccc3)c(OC)c2)cc1 1865688715 YYGOVDQZPSEIBK-VWLOTQADSA-N 562.548 5.748 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689541 BSAKGYRDXCWZRK-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690211 LNBDIVGBNBUZSG-XIFFEERXSA-N 576.656 7.498 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865692193 KKEHFAKVOUPIID-VWLOTQADSA-N 551.485 6.107 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865693545 KODVJSVSSSWQNI-HSZRJFAPSA-N 503.389 6.463 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865696134 KEKJLMAMXNVXFR-JOCHJYFZSA-N 546.977 6.399 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)ccc1OC(C)C 1865697393 RBSZHTLBSHVSOO-MHZLTWQESA-N 506.606 5.921 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)c1OCc1cccc(C)c1 1865704713 CHRBWCJTGJJIRK-MHZLTWQESA-N 510.569 5.493 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714364 IHBYSXJIYYGFKD-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nc(O)c2cc1OC 1872727762 YOAJEWNYALKYEC-RQZCQDPDSA-N 508.361 6.303 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744620 AGIAJMVYICRNLU-CYVLTUHYSA-N 500.234 8.076 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)\c2ccccc2)cc1 1872758413 YXVOJYSQUAFVBQ-YOMIDHQQSA-N 508.643 7.868 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 1872792405 WTTSVGGLGNGSLH-YZSQISJMSA-N 508.687 8.458 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(Br)c(Br)s2)s1 1900919308 MDCMBIXXRYSKTM-SSDOTTSWSA-N 577.326 7.077 50 10 KKGE O=C(c1ccc(F)cc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915313442 NRIGYIAKDBPQMA-GOSISDBHSA-N 502.165 5.246 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@H](Br)c2sc(Br)cc2Br)c1 1922882985 BMLDWAXICSTWGI-JTQLQIEISA-N 513.398 7.430 50 10 KKGE CCn1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)nc1Br 1923038233 IGSKAYAHNITDDM-ZCFIWIBFSA-N 542.316 6.390 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 1923067160 ZEDAHDHMUJRLOI-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583414 JNNZHBHWGDBJJO-VMHSAVOQSA-N 511.899 6.287 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Cl 1924593111 CGSJKNKBOCWMSI-VIFPVBQESA-N 514.291 7.671 50 10 KKGE CC(F)(F)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780964 ZXRWECSYTZOONO-LURJTMIESA-N 564.682 7.218 50 10 KKGE Cl[C@H](CC1CCC1)c1c(Br)c(Br)cc(Br)c1Br 2025781668 IGPHIHZDSDAHDV-SECBINFHSA-N 510.289 7.207 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@@H]2CCC[C@@H]12 2085495594 LOLAZLZTNOBEOX-HCLRGFLGSA-N 522.300 7.063 50 10 KKGE BrCc1cccc(Br)c1OCc1c(Br)cccc1Br 2094090333 GJRHEITWORACBE-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE FC(F)(F)c1sccc1[C@H](Br)c1c(Br)sc(Br)c1Br 2101414443 UQTGFXBGKINDAV-YFKPBYRVSA-N 563.878 7.600 50 10 KKGE CC(F)(F)C(C)(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469158 SBMBKIUHPKSCNW-SNVBAGLBSA-N 592.736 7.854 50 10 KKGE CC[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141470150 YTHZZPWDTNERLQ-CHWSQXEVSA-N 540.315 6.976 50 10 KKGE CC1(C)CO[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141470407 GVARVJJCXCKSML-QPUJVOFHSA-N 540.315 6.832 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c(F)c1Cl 2201616966 CELOCPZTLBFCPM-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1Cc2ccccc21 2206404801 YLNYKUSHKYUOAC-RFAUZJTJSA-N 544.306 7.356 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2ccc(Br)cc2I)c1Br 2207273793 XOESTBQTMXXKMI-JTQLQIEISA-N 560.398 7.225 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)c(F)c1F 2207274805 FRGUAODGZFBNQX-NSHDSACASA-N 584.793 6.718 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Br)s1 2213492308 NVCRLGWMWVQEKO-NSHDSACASA-N 507.842 6.659 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c(C)c1Br 2235607638 GKDPGQRZCIPLJZ-AWEZNQCLSA-N 525.904 7.270 50 10 KKGE Clc1ccc([C@H](Br)Cc2ccncc2Br)cc1I 2256339429 SHFCAHHNHCTENT-SNVBAGLBSA-N 501.387 5.781 50 10 KKGE Cc1c(CBr)cccc1NC(=O)c1cc(I)ccc1Br 2283562127 UMNUJEDPWWOJDI-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507155 VXDHHKZAQOKADE-QFIPXVFZSA-N 508.430 5.736 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccc(F)cc2)cc1 2296644266 YDYXGQMPJQRNPF-HSZRJFAPSA-N 536.426 5.962 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2297458591 HWZSVZPFZOZJGN-SFHVURJKSA-N 526.239 5.745 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567522 KXZBFZNIKHNEJB-UHFFFAOYSA-N 549.412 5.126 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1 2313570743 FHZXIUWLVPDAQB-UHFFFAOYSA-N 589.260 7.451 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571513 YBOYDZKBKIVSHT-UHFFFAOYSA-N 693.081 7.466 50 10 KKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 2313676712 WMJNQPFBHVGRON-UHFFFAOYSA-N 530.249 7.443 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314496238 ZKTCAZXDBDADFX-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591830 FRRZLOYCOAPVAQ-VWLOTQADSA-N 518.038 6.112 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 2314617822 BLRHLWNXFLJQMV-UHFFFAOYSA-N 538.648 5.655 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314620346 NUPZVDNAYYANPO-UHFFFAOYSA-N 563.101 6.786 50 10 KKGE Cc1sc2nc(SCC(=O)NN=CC=Cc3ccccc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487691 WQYGQLPTFHLAOX-UHFFFAOYSA-N 536.682 6.330 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328835318 PDRBLJASVWUNDV-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)c(OCC)c1 2331386499 GFPWRSWNGVVKES-INIZCTEOSA-N 517.607 5.952 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331429184 BMSDHJFEVAXPSL-UHFFFAOYSA-N 519.497 9.103 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(I)c1 2339676956 YVXYJNSDXULOMC-GFCCVEGCSA-N 562.840 6.748 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Cl)ccc2Br)c1Br 2362234914 JIJIPTUABXWZJA-LLVKDONJSA-N 570.703 7.904 50 10 KKGE Cc1nc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1C 2362441488 KGUGNFYXGHHTOQ-SNVBAGLBSA-N 615.183 6.869 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)c(Cl)s2)c1Br 2365216173 RJWWQKLMYRBESK-SNVBAGLBSA-N 568.350 7.490 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1ccccc1I 2380948059 YFRXPFWNKRFFHK-QGZVFWFLSA-N 508.035 6.970 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1Br 14640756 YCVZWFWVLYOGEG-UHFFFAOYSA-N 505.453 5.680 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 34378535 YETCTZWCEFDZQW-QOYGMAJDSA-N 509.675 6.711 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701260 KEWIBNNLOZVFPP-LJAQVGFWSA-N 522.601 6.974 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c1 39858532 FCEOLFCYQLCDFA-VKAVYKQESA-N 501.340 5.103 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)(C)C)cc3)oc2c1C 40530284 DPXLHXYQFXTHNN-MHZLTWQESA-N 506.602 7.093 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Br)cc1 59305241 LANKOFLALRAJLR-MUFRIFMGSA-N 519.395 6.275 50 10 KKGE O=C(N/C(=C/Nc1ccc(Cl)cn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 97983308 NGMKTQFOZVIVML-QLTSDVKISA-O 535.007 6.370 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@@H]2Br 100848498 ILDADXBXLKHEFP-XPGWFJOJSA-N 530.098 6.464 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)[C@@H]2Br 100869425 AWQRXCSRXXQFHG-RLCCDNCMSA-N 548.928 6.618 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101334272 MMKDHCMATZTFFY-ZAVGGQCXSA-N 536.676 6.663 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Cl 101336687 ZXSXCVKDTXGXOF-WGOQTCKBSA-N 567.045 6.757 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2=O)cc1OC 101339165 KBRWRPQLVOEEBD-TURZUDJPSA-N 558.638 5.700 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340245 KYHLNJLYIYCMAB-NJZRLIGZSA-N 588.733 6.885 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1Cl 101370971 OTWDEHPCXTVODI-OAQYLSRUSA-N 550.225 7.136 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101373718 VOEMIHANZXMLRC-WJOKGBTCSA-N 556.659 6.374 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379802 MPALBNOKQAHLMM-HKBQPEDESA-N 567.041 7.145 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380663 KVYMTGWNQIVGQS-HKBQPEDESA-N 536.559 5.916 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381118 KULUKEXSVVUGIN-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381684 HZNHRZJJVRTJKA-XIFFEERXSA-N 560.650 7.272 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(F)cc5)ccc43)c2)cc1 101382254 OWFRILDDUYNMIH-BGOLNKOXSA-N 550.586 6.304 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Br)c3)sc2c1 101391292 SXMYTUQWTRTPGP-JOCHJYFZSA-N 551.849 7.063 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)c(C)c2cc1C 101393718 LQWBNSMUTRKGRH-WJOKGBTCSA-N 542.591 7.588 50 10 KKGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494245 NOPNPCMGGYMBDD-UHFFFAOYSA-N 531.576 5.393 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(Cl)cc1Cl 102006742 AJZYLAZEDUWEIV-KKMKTNMSSA-N 530.389 5.605 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741822 NXALHQQFISUCRH-BSSRNLCFSA-N 550.453 5.373 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C4=NN(c5ccccc5)[C@H](N)[C@H]4C#N)c3C)sc3c2CCCC3)cc1 103871572 NWVYKBFLVZHNGV-ZFQQNVQVSA-N 599.764 6.803 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc(C)c1 103876750 LLMPHZHJMLPMQQ-RWPZCVJISA-N 554.384 6.087 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150441859 LISKGVUSJWELSO-JGCGQSQUSA-N 651.930 7.827 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463289 XPOPFOSAIMXJDI-JGCGQSQUSA-N 675.952 9.035 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1cccc(Br)c1 150498808 FHSYGEJEYWHYBX-AMVVHIIESA-N 661.441 7.555 50 10 KKGE O=C(O)c1ccc(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(c2ccccc2Oc2ccc4c(c2)C(=O)OC4=O)C3=O)cc1 164225117 ABIUKVGNTLMCON-UHFFFAOYSA-N 619.563 5.274 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214243475 GTLKDLDHYXTMJV-MKRQMZSSSA-N 534.660 6.344 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3C)C2=O)cc1 214403238 DHAMQYVNADQYNQ-UCMJSZAQSA-N 600.719 6.726 50 10 KKGE CCN(CC)c1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 216506382 HMXDYRQXDXEPAZ-COOPMVRXSA-N 507.682 5.594 50 10 KKGE Cc1sc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 235818109 REMWHXQWFFBDSE-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N 252620693 MJWDMAULTMDSRQ-AZGAKELHSA-N 586.639 7.194 50 10 KKGE COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)c1 254350024 JCROCPZSOULQDU-PWWQEXALSA-N 512.484 5.346 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1 254483373 AMXRPRNIBGAZDB-UHFFFAOYSA-N 547.728 7.326 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 254558394 GVCPCCHAYLMYSC-NSHDSACASA-N 536.626 7.043 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccc(C(C)(C)C)cc1 254594561 USBXANYAQKCORS-UHFFFAOYSA-N 643.813 8.497 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21 254736509 LNIZLCZTEKNSTC-UHFFFAOYSA-N 533.628 6.542 50 10 KKGE CCc1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019278 RNGFQGZVJFSDEO-JEBQAFNWSA-N 508.092 5.873 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)CC[C@@]1(C(Br)Br)[C@H]2Br 256019781 DJMOBJZNPXKTPT-PXRWZLGFSA-N 890.026 8.151 50 10 KKGE CCCOc1ccc([C@H](Br)c2sccc2I)cc1Br 311404371 GUCZGUPUIBUFIT-ZDUSSCGKSA-N 516.036 6.388 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@H](Cl)C23CCCCC3)c(I)c1 394316012 ATZXWWULSDJPOI-STQMWFEESA-N 537.006 6.258 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 725410502 BKIUZSBZEWIUID-HSZRJFAPSA-N 535.855 6.588 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1083963601 CQSTVOIFEJRZGX-UHFFFAOYSA-N 599.252 6.348 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084004921 SEJLXTSJFZTQAV-XDHOZWIPSA-N 511.803 6.626 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1084006287 YAVHUUMDDWVDAT-UHFFFAOYSA-N 530.672 6.583 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1C 1084044403 TVHKSKKEMDGRPI-UHFFFAOYSA-N 546.534 7.530 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084048524 AKZKPSPDGDETBL-UHFFFAOYSA-N 521.828 6.787 50 10 KKGE COc1c(C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)ccc2ccccc12 1084304054 FYPBWCBLLOAYSJ-UHFFFAOYSA-N 528.406 5.334 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084383107 NVUQUZOCGOXUOG-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084460481 WMJNQPFBHVGRON-ODLFYWEKSA-N 530.249 7.443 50 10 KKGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084562023 ZZTPNLMVPBNWCC-UHFFFAOYSA-N 549.100 5.032 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C#N 1084569453 DKXHMTPCIXSMIS-UHFFFAOYSA-N 579.282 5.414 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1084594225 NVTPNQNAZCBVAU-PXNMLYILSA-N 522.215 7.433 50 10 KKGE CN(C(=O)Oc1ccc(Oc2ccccc2)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614357925 OVMQTUGODWPTCM-OAIJCVCGSA-N 608.548 7.098 50 10 KKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772748893 OXLDNBYORONHML-UHFFFAOYSA-N 505.618 6.446 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 1848665556 ZODHPXNJFNZLJV-BKLMLHMFSA-N 597.722 9.946 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682536 QYPMNGNYMJSTCX-HHHXNRCGSA-N 536.994 6.771 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686370 ULOXWYDJWNIKQG-SANMLTNESA-N 539.422 7.226 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865692479 BUEDGKXLMQNPSA-WJOKGBTCSA-N 554.650 6.794 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1 1865694235 RLVXBAPFSRYGBV-MHZLTWQESA-N 506.606 5.922 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865694735 AHWRCDFSCLLUPY-VWLOTQADSA-N 512.997 5.877 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865694918 FOCVKNHJAYRQQQ-HKBQPEDESA-N 554.650 6.962 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1865695928 VOVXXNGCGVOCGG-HKBQPEDESA-N 570.649 6.662 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696778 KIEJNQWTNREVKF-NRFANRHFSA-N 567.395 6.663 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700720 BWMJHDNNLPHKFC-HSZRJFAPSA-N 514.969 5.437 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1C 1865703297 SPHLSUFBCIZZFU-LJAQVGFWSA-N 541.051 6.398 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1865710411 XMJMDOFZKLIMOD-QFIPXVFZSA-N 518.360 6.032 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712244 TXLBGKKFJSCEGM-HKBQPEDESA-N 554.650 6.713 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714756 PQISFGPBZOOQLH-FQEVSTJZSA-N 501.370 5.073 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866600579 LWSIXLLDSPXBCZ-SANMLTNESA-N 547.750 5.952 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867061177 FAXBRMFHMGFADE-WJOKGBTCSA-N 574.662 6.313 50 10 KKGE CC1(C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)[C@H](c2ccccc2)c2ccccc21 1868414572 NHLPOWRPUNUYTI-JGCGQSQUSA-N 574.153 9.001 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5ccccc5nc43)nc(-c3ccc(Cl)cc3)n2)cc1 1868433603 OFMVPWSVUFHHCB-UHFFFAOYSA-N 507.022 7.356 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc6c(c5)OCO6)cs4)cc3C2=O)c1 1872752462 DBRBPSMKJFQJMK-QLYXXIJNSA-N 521.554 5.906 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@@H]1COc2ccccc2O1 1924600513 QXRMTYBXYSQQND-GZMMTYOYSA-N 503.437 6.156 50 10 KKGE CC(=O)[C@H](Br)[C@H](C)c1cc(Br)c(I)c(Br)c1 1938596331 MTEMRUBMRMJRMV-GPXNAGAYSA-N 524.816 5.272 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Br)CC1 1995049083 WIGOFTMJLADMCY-SECBINFHSA-N 561.131 6.944 50 10 KKGE Brc1ccc([C@@H](CI)OCCOCCOCc2ccccc2)cc1 2007814278 MUHZPNMMVMUXKA-LJQANCHMSA-N 505.190 5.175 50 10 KKGE CC(C)c1cc(C(F)(F)F)ccc1-n1nc(CBr)c(I)c1C(F)(F)F 2079256460 BYKKOVULWUFUBM-UHFFFAOYSA-N 541.071 6.533 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2csc(I)c2)c1Br 2081062699 VLUMEHNWVSYSTB-ZDUSSCGKSA-N 520.455 6.823 50 10 KKGE CCn1cc([C@@H](Br)c2ccc(Br)cc2Br)nc1Br 2083312046 OVSUAPNBSZDXAA-NSHDSACASA-N 501.842 5.675 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 2098605482 LSLLSPUDFAUMHX-KRWDZBQOSA-N 500.706 6.487 50 10 KKGE CCCOc1ccc([C@H](Br)c2cc(I)sn2)cc1Br 2120031361 IMIJAKXEBWPHSE-ZDUSSCGKSA-N 517.024 5.783 50 10 KKGE C[C@@H]1OCC[C@@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470469 HKCYSLWVRNPSGZ-NYNCVSEMSA-N 540.315 6.832 50 10 KKGE Clc1cc([C@H](Br)c2cccc(Br)c2Br)c(Cl)c(Cl)c1Cl 2148750456 HDZAZBFNYJDCNK-SECBINFHSA-N 542.707 8.310 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2206400846 SVWMZIYVTCIPHJ-QARKVSRYSA-N 594.805 7.999 50 10 KKGE Clc1cccc(Cl)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405532 LZXHWCAUAKIOMO-ZDUSSCGKSA-N 587.158 8.372 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1Br 2218965224 NKPWSMYVIOSJKM-SSDOTTSWSA-N 558.380 7.852 50 10 KKGE Fc1cccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1I 2229146637 ALZZWPDOQRXNLH-NSHDSACASA-N 518.389 6.525 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)s1 2233013028 FRABJABITZISTN-CYBMUJFWSA-N 550.481 6.742 50 10 KKGE Clc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)cc1I 2283575760 XZBBZQNATPDRIY-OAHLLOKOSA-N 528.409 6.126 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2286461902 KKBLVEQLMPDOOD-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293189802 LBHLAVZFBKAOAM-UHFFFAOYSA-N 525.373 6.755 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 2294187475 UKVXODKGWZTOQW-UHFFFAOYSA-N 508.743 5.372 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296507089 SREWUJWEBUFOSB-VWLOTQADSA-N 562.489 5.243 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2296507113 UDDHMWCONQOTFZ-XMMPIXPASA-N 515.566 5.067 50 10 KKGE N#CC(=Cc1cc(I)cc(I)c1OCc1ccccc1)c1nc2ccccc2[nH]1 2296648410 XZQFVQZJAWAYNH-UHFFFAOYSA-N 603.201 6.415 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458530 FTQZQSYQRDEREN-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 2297477296 PVXLSOGRYCEGPP-UHFFFAOYSA-N 544.676 8.431 50 10 KKGE COc1cc(C(=O)C=Cc2ccc(OCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(OC)c1OC 2297731034 XNGWTYXKMUTHTE-UHFFFAOYSA-N 659.783 8.542 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2sc(Cl)cc2I)c1 2300955484 MVGFYUURYDLZEX-LLVKDONJSA-N 553.428 6.403 50 10 KKGE ClC[C@H](Br)[C@@H](CCl)OCc1ccc(I)c(Br)c1 2306295803 CRRLVXJQFUYYEH-GXSJLCMTSA-N 516.826 5.180 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(C)cc1 2313518871 XNIMNDFEADJQLV-UHFFFAOYSA-N 552.412 5.801 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 2313570946 JTINKGXTUQUHHS-UHFFFAOYSA-N 502.785 6.387 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571293 RPQNNJRLRLGAJX-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1 2313571535 YMHXGAWPXHKHMU-UHFFFAOYSA-N 546.248 7.279 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1 2313671066 AJSXZTKRKCTDQH-UHFFFAOYSA-N 505.412 6.535 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)C1 2314476461 OZWYLNAFXAYWPP-DQEYMECFSA-N 579.726 5.429 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314490634 ZSQMEYIGPQTUOK-UHFFFAOYSA-N 505.555 5.998 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314618738 SPZYNCHCODYFPA-UHFFFAOYSA-N 532.600 6.020 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314620207 MMZJJOQSIJMAMP-FQEVSTJZSA-N 544.586 5.794 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1 2314793110 MIQRVTBBCFAYIP-UHFFFAOYSA-N 510.457 6.860 50 10 KKGE CC(C)[C@H](Br)C(C)(C)CN(C)c1ncc(I)cc1Br 2340434735 WSHAFXWYAXLYTQ-LBPRGKRZSA-N 504.048 5.331 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)cc(Br)c1 2365223358 MOGAGWKNSXVBFQ-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)CC1 29492426 QCOXMGIFPDYXEL-JLPGSUDCSA-N 550.667 5.771 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c(C)c1 34988472 PMABVFVLXBXJHA-PYCFMQQDSA-N 501.590 6.740 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 38651711 HQLDRHKHVSODTH-PSLXWICFSA-N 509.331 5.179 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 39858806 CSJJQBMDXHJFRB-JWGURIENSA-N 522.561 5.134 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(F)cc3)CCC4)ccc21 40811876 YSHGFQXUWJIIGH-JGRMKTMXSA-N 522.580 6.578 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 58892285 ZKRLDEAMHCMGHC-ZMIIAFDNSA-N 516.594 5.055 50 10 KKGE COc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 97914925 YNDPDPOHAJTTIC-AREMUKBSSA-N 521.485 5.547 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227656 XPCWNAFMVUKKQS-CIAFOILYSA-N 597.409 6.340 50 10 KKGE CC(C)c1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100280726 VGYMDCUXBMXJPM-UHFFFAOYSA-N 520.221 5.328 50 10 KKGE C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844223 XGIDPZDWGDSXHH-XKCJGCHYSA-N 575.699 5.978 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869731 NPAMZVOJXPJKBL-AMVVHIIESA-N 577.417 5.166 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101307301 SUEZNKWRSLOVBF-VWLOTQADSA-N 533.924 5.259 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101336354 LGSKYYGGDJIGCJ-YDZHTSKRSA-N 557.474 6.378 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1Cl 101363579 XOCWTYOVILTYBF-QFIPXVFZSA-N 560.231 6.592 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 101373011 WXEKUXASPFAXDL-HHHXNRCGSA-N 530.577 5.329 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374011 CMRVBTYAOLHWMG-ADXZGYQBSA-N 546.595 5.994 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 101374506 HCBAFPKFSMGVNL-WJOKGBTCSA-N 542.632 6.165 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OCC 101374526 RTVXIILUMXXMOL-CFHIZRQMSA-N 559.062 7.145 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380306 WQVQSISCYBLUJV-UTYPGMGESA-N 574.652 7.539 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380542 KLJYKDJGYFKIFS-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384347 BDFTXUNLEUYYCI-UMSFTDKQSA-N 556.593 6.924 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101385058 RJCOKVMCVMDMIK-WJOKGBTCSA-N 587.459 6.947 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386057 UAYDEDBHGCAXKH-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101397535 GWVXFBWMLRGVNR-XZWHSSHBSA-N 566.997 5.883 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614655 ZFQZGKPQCBHZQE-QFDQHJFZSA-N 543.823 5.492 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)cc1 101759054 LHHHMLUAPGUIQR-MZJWZYIUSA-N 553.507 6.097 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666348 QFSDJSHFHMHFRC-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE CCCCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1 102780469 ZFPXTNBMEJNEAF-HKBQPEDESA-N 573.174 6.463 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OCCOC)c1C 102924676 AGLBJLSEKCJRPY-SDNWHVSQSA-N 503.627 5.198 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1 103867390 CDGWJDKXJDRARF-VTNSRFBWSA-N 560.123 7.404 50 10 KKGE CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)N1 150386307 RKUOCPJTMLSLTQ-XMMPIXPASA-N 652.076 5.306 50 10 KKGE BrCCCCCOc1c(I)cc(I)cc1I 155652444 FXRPVAJZYHVTAG-UHFFFAOYSA-N 620.832 5.444 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1 163797598 QEVTZHTWUATUMY-ORBVJSQLSA-N 651.105 6.792 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205650723 VQZZOAURJMHWSJ-AWPOKNFJSA-N 566.698 7.399 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3c(C)cc(C)cc3C)C2=O)cc1 214398796 URFZJFUGIATNKA-FSGOGVSDSA-N 556.666 6.308 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C 214469828 SPHUIJWPZSWHEE-LYJGPQOQSA-N 510.923 10.671 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 252629181 UALNEMJMMJGVKT-UHFFFAOYSA-N 587.503 5.193 50 10 KKGE CC(=NNC(=O)c1csc2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254394382 QMEKJVRAAZPLAB-UHFFFAOYSA-N 505.415 5.827 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1cc(I)cc2c1OCC2 312328936 IRWDCNJVKFNMMP-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)cc2Br)c(C)c1Br 380013567 DYOSYFARHVMCKH-INIZCTEOSA-N 525.904 7.384 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)cc2Br)C1 382714631 JHBLBAXRNLEOCI-RHSMWYFYSA-N 518.164 5.375 50 10 KKGE O=C(N[C@@H]1CCCc2ccccc21)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237427 GVBBWSQNXGYUTD-OFNKIYASSA-N 506.977 6.274 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccccc4N(Cc4ccccc4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725392367 STVVPJNUHQBGDU-YXQOSMAKSA-N 710.856 7.849 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 725430377 PKXLJFFUSFXZKE-UDWIEESQSA-N 525.830 6.934 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)o2)cc1 725431570 GGYGTMQVAOQVCW-UHFFFAOYSA-N 559.644 5.086 50 10 KKGE CC(=O)[C@H](C(=NNC(N)=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1081818069 OWHOMSYXRWWYIM-ZWKUJFKYSA-N 563.780 5.496 50 10 KKGE O=C(O)COc1ccc(Br)cc1C=NNC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 1082990581 DKUKEXAUNLNCSN-UHFFFAOYSA-N 585.867 6.197 50 10 KKGE Cc1ccc(NCC(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)cc1 1083850845 MDQVTDHZORIBGA-UHFFFAOYSA-N 526.729 6.523 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc(Cl)c1 1083954573 ZTDKRTGOCGFZLX-ZDLGFXPLSA-N 512.349 6.425 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084129883 SANCTZJXPGSPTO-UHFFFAOYSA-N 557.036 6.049 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084164128 CXIZZFRYTIHOKD-UHFFFAOYSA-N 512.566 5.089 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(F)cc2)c(I)c1)c1cc2ccccc2o1 1084164841 ILTLQXFGWPSNMZ-UHFFFAOYSA-N 640.190 6.124 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2ccccc2o1 1084242567 HSUDGXFPVIWBKD-UHFFFAOYSA-N 528.200 6.301 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)o2)cc1 1084370076 RSHVYOKPAGJZOG-UHFFFAOYSA-N 550.659 5.205 50 10 KKGE O=C(NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1Br 1084549425 NOHICSIWYQPOOF-UHFFFAOYSA-N 501.211 6.523 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1 1084551731 ZJGYJGSWEWVCCJ-UHFFFAOYSA-N 629.920 5.175 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1C 1084616161 AFKMDIHEOSVMTM-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1 1084618059 WPFJDLWYCJXYGR-UHFFFAOYSA-N 691.090 7.292 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748481 DLUOFJLIAWMBIS-UHFFFAOYSA-N 515.332 5.108 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 1772751971 QFVCBHCAVVCRQM-UHFFFAOYSA-N 539.415 6.876 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772754913 RQGAYVHUCQTXSG-UHFFFAOYSA-N 532.131 7.064 50 10 KKGE Cc1ccc(COc2ccccc2C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1772755230 VQRWMTYTNDBHKC-UHFFFAOYSA-N 508.068 6.593 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685450 IXESIHVZPJCAHY-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)cc1OC 1865691734 ZSEDOZNTTGVMIT-INIZCTEOSA-N 529.357 5.387 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865693806 ZFVLAUIGVULSDJ-QHCPKHFHSA-N 571.903 6.646 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1 1865694265 RXUMDJQLJHDYSZ-GDLZYMKVSA-N 506.606 5.744 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694585 XKNWISLARKGATM-AREMUKBSSA-N 561.469 6.921 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695224 NAJJSXPMCBBTDT-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)cc1 1865696878 STISZXHGLJUYOQ-HSZRJFAPSA-N 513.395 5.593 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697361 QKXPVDSDINXOES-QFIPXVFZSA-N 575.866 6.064 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865708314 TYGFCMOYCYYAQU-DEOSSOPVSA-N 559.420 5.546 50 10 KKGE Cc1oc(-c2cccc(F)c2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866654765 JVKWVEMWJCTQPQ-VWLOTQADSA-N 514.582 5.271 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)CC2 1868301155 MGTIFCIVEUMWGU-HKBQPEDESA-N 551.716 7.546 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433505 MQJYGXQDWVQWCO-UHFFFAOYSA-N 566.090 6.557 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Oc4cccc(Cl)c4)CC3)nc(-c3cccnc3)n2)cc1 1868565465 KHJPHUQMQCIFFM-UHFFFAOYSA-N 515.042 6.557 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c2ccccc12 1872758865 URTBHKFMYDTABE-LVWGJNHUSA-N 509.587 6.316 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3F)cs2)cc1OC 1872784526 ROCHPSRLCMXFHR-OVCLIPMQSA-N 505.384 7.102 50 10 KKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915310727 CFQCHPXQNIRFRA-GOSISDBHSA-N 505.172 6.284 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC3CCC2CC3)c1Br 1924591431 RGURBZCPPWDEJT-UKRMECCQSA-N 521.938 7.298 50 10 KKGE CC(C)(C)c1ccccc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924601735 ZHIFNVMNXATKMC-LBPRGKRZSA-N 501.509 7.661 50 10 KKGE Brc1ccccc1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609560 ZPUSDUFNXBRURQ-MRVPVSSYSA-N 582.775 7.477 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1cccc(Br)c1Br 1943904061 UPBCAXCEGJWOON-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sn2)cc1Br 2007644550 PQCGAEWRVWQQPL-NSHDSACASA-N 504.867 6.223 50 10 KKGE ClCc1cc(Br)c(OCc2cc(Br)ccc2Cl)c(Br)c1 2166829064 BCDBXIWTHQBOSA-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE FC1(F)CCC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206401812 ZQRLBQHIKNPBJD-SNVBAGLBSA-N 604.747 7.998 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206408283 ILPAEVXEBZGUGS-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2206572952 YRCIFBLQRHCCDI-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1Cl 2224304370 ISSFAMBFOZMYPK-MRVPVSSYSA-N 593.187 8.480 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Br 2226082585 RAGXBKIMWNICQS-ZDUSSCGKSA-N 514.020 5.843 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2scc(Br)c2C)c1Br 2226121557 ANOOUOJUTZIIRI-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Br)c(Cl)s1 2247988076 QASUXMLNBMJBAM-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c(C)c1F 2279146362 ISYDYXPUCFBJRN-CQSZACIVSA-N 529.867 7.214 50 10 KKGE Clc1cccc([C@@H](Br)c2cc(I)cc3c2OCC3)c1Br 2283199410 FRTAPFKJPKILBA-CYBMUJFWSA-N 528.409 6.126 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Cl)c(Br)c1Cl 2283563412 NITIPDQRIAUXAF-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2293198344 WVIUMYYSMPDPNZ-DEOSSOPVSA-N 550.453 5.373 50 10 KKGE COc1cc(OC)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2295418732 KBGQSFCNPBOFRM-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(COc3ccc(C(=O)OCC(C)C)cc3)c2)cc1 2297412359 NVEVBNPABOUVJK-UHFFFAOYSA-N 635.717 6.017 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2297458611 KRHGHBLDTJFTJX-JOCHJYFZSA-N 567.396 5.561 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299505703 YYXKTUJSBWZLAQ-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccccc1OCc1ccccc1 2299536329 YQEXAQHONSOLNU-MHZLTWQESA-N 538.279 8.091 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(Br)cc2Br)s1 2301082760 BZVWHEGESWDCPZ-JTQLQIEISA-N 571.297 7.015 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1 2313518242 YNIXSGFHPRHRAW-UHFFFAOYSA-N 552.412 6.350 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccco2)cc1 2314433624 PQFFQIPRSWLMKU-UHFFFAOYSA-N 556.625 5.935 50 10 KKGE N#CC(=C(O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457468 LQWSOHLWUXFNAI-UHFFFAOYSA-N 518.219 8.089 50 10 KKGE O=C(CCN1C(=O)C(=Cc2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 2314488732 NBFRJOZRDMDKNF-UHFFFAOYSA-N 537.132 5.261 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314610619 KIKNQIDQGZXXLS-UHFFFAOYSA-N 611.529 7.817 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634631 QNIJLPSCZQTKRT-GDLZYMKVSA-N 510.590 5.838 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)cc1 2314646656 IESLQBGWIPJRTP-LJAQVGFWSA-N 662.768 5.499 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(CC)cc2Br)c(OC)c1 2314785966 XIWFWEFWSRUXOI-UHFFFAOYSA-N 543.458 5.608 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1sc(Cl)cc1I 2316606164 MGEZEZIAYYFNDH-QMMMGPOBSA-N 524.418 6.586 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)c(Cl)c1 2331044427 HBOJZUZRXFSPSV-UHFFFAOYSA-N 510.034 7.200 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331049718 LBZSWGKQRIMAQX-UHFFFAOYSA-N 500.334 6.444 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1 2331248934 GXNZNLHQSSDDGD-UHFFFAOYSA-N 518.551 5.376 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331325213 XRLCXECDTLWKPO-JOCHJYFZSA-N 503.580 5.331 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OCC)c1 2331388998 FESQOIAZHYDUCW-AWEZNQCLSA-N 505.423 7.174 50 10 KKGE Fc1cc([C@H](Br)c2ccc(Cl)cc2I)c(F)cc1Br 2340062900 FNJZUFPLVYDHQM-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE ClCc1c(Oc2c(I)cc(Cl)cc2I)ccnc1Cl 2344709440 HYSIZAYZRSXDHQ-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362220492 LDNXSEYMYUUDEY-NSHDSACASA-N 554.248 7.390 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cccc(Br)c2)c1Br 2365189523 VUTBVZKTGSOSFW-ZDUSSCGKSA-N 527.876 6.775 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1F 2365215706 MUJSSUWTJRMGDC-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Cl)cc2I)c1Br 2365595270 IFAAOBCMELFFOP-LBPRGKRZSA-N 573.252 7.590 50 10 KKGE Cc1ccccc1[C@H](CI)OCc1cc(I)ccc1Cl 2380352946 FWRFLNZOECDKTD-INIZCTEOSA-N 512.556 5.946 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1790116 YQSAZUKKTZMOMO-FNBPXTNNSA-N 522.945 5.452 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2344387 NSTROAFVLGCRHE-HWBIBUKPSA-N 542.875 7.020 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)c1 38659630 FKCUVHIAXSCGST-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)ccc1OC 38659969 CPSXBYDTNVEKKI-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCC)c(OCC)c1 38679399 YOYVYYAQBMVNRB-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 38686502 VPKFMIKJBOUOLF-LJAQVGFWSA-N 504.542 5.712 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCc1ccccc1 40924466 FTMHPOIPHKNLFP-OGLMXYFKSA-N 503.649 5.683 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 50568357 GFQNGWSSHQJQKL-XLNRJJMWSA-N 516.557 6.445 50 10 KKGE Cc1c(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 58888718 NOMXKQVOHPSEIH-WVOIHLJESA-N 504.428 5.724 50 10 KKGE COc1cc(OC)c(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1Br 97729854 YGGZJLBJOKPFFJ-LGJNPRDNSA-N 516.779 5.136 50 10 KKGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100142566 OANOFEJUSOUHOU-UHFFFAOYSA-N 560.720 5.755 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Br 100189854 OCIRSMIZGRJNDX-UHFFFAOYSA-N 548.659 5.130 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc2ccccc12 100236360 QOYYPAUMCRKKOL-HFSMTFFDSA-N 601.541 7.272 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1I 100360598 PQVBXAKKNZTLGU-NTEUORMPSA-N 586.167 5.015 50 10 KKGE C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/NC(=O)COc1cc(Cl)c(Cl)cc1Cl 100844199 AZMWTPJALNOOST-OUBAOEEQSA-N 576.289 5.225 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241359 MRQRXSGMYYJYQC-KVILUOORSA-N 536.484 6.353 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101336240 HQNXYEXHDMGMOW-UZWMFBFFSA-N 604.682 6.665 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101338641 LRLLGGYQRSLHDA-NDZAJKAJSA-N 572.640 6.792 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OCC 101339796 WODDOEGREJLFAO-BUVRLJJBSA-N 530.621 5.956 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101341339 IHKVVZBJZFRBNF-ZCTHSVRISA-N 604.638 5.803 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)cc(C)c3)ccc21 101369019 MBUOCJHANFLPHX-SANMLTNESA-N 535.394 5.277 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 101374632 VQQLUILGJGARNM-WENCNXQZSA-N 560.622 6.384 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384584 MKGLARSHMPTCDL-HKBQPEDESA-N 599.514 8.307 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387416 SOSYCFBYVWNZCK-PMERELPUSA-N 587.459 7.327 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)c(OCC)c1 101388349 HCQOWFUMDPTSQF-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388481 JOFSWPZEPPWIGE-SNSVSFJOSA-N 593.079 7.463 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1Cl 101390543 FALFGVVPSSMEEM-DEOSSOPVSA-N 525.388 6.228 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101395719 RWWROESUNTXPQW-JGCGQSQUSA-N 580.681 7.763 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 101397330 GLZNUGDZDCUBPP-NDEPHWFRSA-N 543.019 7.401 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 101405994 PKHODYRWMZQGCP-OJSPLJLUSA-N 583.449 5.179 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3OC)CCC4)ccc21 101600671 JWOVZSMINHOSAF-JGRMKTMXSA-N 534.616 6.447 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609785 LULHRVBVPSWMLP-JGRMKTMXSA-N 546.454 7.136 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 101702309 UHPPMOMMPVOIBU-WQZUMXOESA-N 538.556 5.204 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 102779026 QHXCPRJHUFZWIK-QMCAYLGFSA-N 549.539 6.184 50 10 KKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OCc1cccc(C(F)(F)F)c1 102988883 YGCUELZTAGBSRC-GRSHGNNSSA-N 542.362 6.938 50 10 KKGE O=C(N/N=C1\c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 103601402 RAUAZHHDCLXNME-ILDUUAAWSA-N 568.156 6.231 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C)cc1 103796745 YHUCZNXBUDMAOT-XODNFHPESA-N 527.802 6.509 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1 103878540 HSUQCFXSPJUXLV-LGJNPRDNSA-N 530.749 6.034 50 10 KKGE N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 108751606 REJPBAPOKBVCRE-ZHZULCJRSA-N 551.362 7.746 50 10 KKGE C[C@@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 118914442 IDKDEJKAOLGAAX-BOGVUZJDSA-N 604.619 6.173 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c1 128264128 UMKHQGDOXPWOGX-JTQLQIEISA-N 507.842 6.659 50 10 KKGE Brc1cc([C@H](Br)c2ccc(Br)c3ccccc23)sc1Br 128570879 HIJXZXXPCMMCQV-CQSZACIVSA-N 539.912 7.673 50 10 KKGE O=c1cc(CCl)n(OC(c2ccccc2)c2ccccc2)cc1OC(c1ccccc1)c1ccccc1 143635531 HPBFOOMXBLWEDG-UHFFFAOYSA-N 508.017 6.974 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430590 SOLXDHHCADEOHQ-UMSFTDKQSA-N 635.116 8.372 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214292774 KLJUSAJIYREJFX-QRQIAZFYSA-N 538.648 5.511 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 214378283 MKUCYPYQKLWZQN-MNDYBZJGSA-N 542.683 6.441 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214379008 YTSJQHSUCCQOQF-ZXSNDDASSA-N 590.683 7.219 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 214385548 KUASKTRZIVGOKA-YSMPRRRNSA-N 558.594 5.378 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 234806922 CRYVWYCESBHPJZ-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE COc1ccc(OCc2ccc(C=NNC(=O)c3cc(-c4ccc(OC(C)C)cc4)nc4ccccc34)o2)cc1 252588315 AADZZPLZUCKSCP-UHFFFAOYSA-N 535.600 6.634 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CON=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 254432575 QWBTYMSAWYSVIV-UHFFFAOYSA-N 537.745 6.789 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccc(OC)cc2)cc1 254594831 VJKCEPRYONVIBP-UHFFFAOYSA-N 539.617 5.053 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 254595388 LHDZVHOCDHWIKJ-UHFFFAOYSA-N 504.620 6.917 50 10 KKGE Br[C@H](c1cc(I)cc2c1OCC2)c1sccc1I 311243221 YIDISGWADFUTNU-LLVKDONJSA-N 546.993 5.377 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@H](Cl)[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 575229413 DUYDNPDLGLCXCC-NSTSNIEVSA-N 585.298 7.027 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616673032 TWARCGQQNVGYOB-MHZLTWQESA-N 511.899 8.377 50 10 KKGE F[C]1C(F)=C(P(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)C(F)=C(F)[C-]1F 642813794 ZEVWAVXIOCXQME-UHFFFAOYSA-N 532.142 6.859 50 10 KKGE O=C(N[C@@H](CCBr)C1CCCC1)c1ccc(I)c(Br)c1 725086305 HENFSFSDZXUXHY-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE O=C(NC[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 725238735 PFUAKLFTWXGFIE-GDLZYMKVSA-N 589.161 6.381 50 10 KKGE CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O[C@@H]2Br)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1074625820 LBBONFMZVZYTPN-ANMRHESQSA-N 785.681 5.419 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1083894869 WEEZVSZNNVHOIE-UHFFFAOYSA-N 725.876 7.651 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 1083957450 RFYTTXNIZPZKJB-UHFFFAOYSA-N 550.058 7.458 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 1083987308 LMVNQLZKLYFJKG-UHFFFAOYSA-N 534.465 5.518 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccc(Br)cc1 1083989130 PHTSNETZYABRRF-UHFFFAOYSA-N 579.520 5.587 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084004791 ZGROUDMKXYXQSI-UHFFFAOYSA-N 660.536 5.672 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 1084016002 DPWZOUZALHEFDB-UHFFFAOYSA-N 682.977 5.047 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1cccc2ccccc12 1084061295 WGXZKXNEVFLIMM-UHFFFAOYSA-N 509.425 6.405 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1 1084113952 WZUOXOMUHMEMRT-DXBSEXLMSA-N 617.753 6.478 50 10 KKGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084148431 YVSBPSCABNOLNB-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1cccc(Br)c1 1084178037 PUHHVWPGIHKPNN-UHFFFAOYSA-N 569.308 5.876 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1 1084299602 CYXHLRLWGLHBEC-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 1084388562 YMZCNKNQNSQEMK-UHFFFAOYSA-N 646.266 6.321 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084568878 VOVIODXLVBWJNO-UHFFFAOYSA-N 556.732 6.180 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(I)cc2)cc1)c1cccc(C(F)(F)F)c1 1084588189 XTVIYTPAMDMDLX-UHFFFAOYSA-N 524.280 5.653 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2)c2cc(OC)ccc21 1772720614 PYNPNRNMHSPBSE-UHFFFAOYSA-N 524.415 5.047 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 1772720863 ZKTCOECGRLEAEK-UHFFFAOYSA-N 812.873 6.508 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684706 WERTUWJBDCHUJZ-AREMUKBSSA-N 549.428 6.682 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865684882 AJRYDWHDCKGVPZ-JOCHJYFZSA-N 568.258 6.835 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685397 IFHQNVFQBKXVAZ-JOCHJYFZSA-N 537.834 6.785 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865692366 LOPLATBORXKLFW-DEOSSOPVSA-N 537.458 5.716 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865696860 SCSQKQVIRIHCTF-NRFANRHFSA-N 532.950 6.340 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704578 ZDWKSCZKZXGYKN-AREMUKBSSA-N 517.416 6.344 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704902 HJQWPOOQEWQAPU-JOCHJYFZSA-N 516.479 5.388 50 10 KKGE CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865705034 KKEMULRFGKQXJK-IBGZPJMESA-N 523.342 6.262 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1865705374 UGIVHHYJAQZHPR-RUZDIDTESA-N 547.398 5.934 50 10 KKGE CC(C)[C@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866737160 BTBUVFKGZQARRV-IZZNHLLZSA-N 507.606 6.034 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178245 LFYKWLHDJODAQW-GDLZYMKVSA-N 582.682 5.620 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc(C3CC3)n2n1 1867187580 WGVFWTWILFWXFC-AREMUKBSSA-N 524.650 5.587 50 10 KKGE Cc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867230120 GQSMKXUOANHNKO-QHCPKHFHSA-N 526.431 5.379 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)nc(Cc3ccccc3)n2)cc1 1868207422 MPOQTEHMWTWUPO-UHFFFAOYSA-N 536.661 6.751 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868231647 NHBQOGZTKPDQJF-UHFFFAOYSA-N 507.685 5.607 50 10 KKGE O=c1c(-c2ccc3c(c2)OCCCO3)c(C(F)(F)F)oc2cc(OCc3cccc(CCl)c3)ccc12 1871437408 WHRDHDBCYOWYLQ-UHFFFAOYSA-N 516.899 6.958 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(Br)c(OC)c1OC 1872748806 OMZGIRMUQXAOMR-SILNSSARSA-N 501.402 6.165 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 1872755011 UMKFFVXTNBVNAH-ZLNGRFOQSA-N 510.015 5.883 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(F)cc2F)cs1 1872817880 BGJCERQDAUHJHP-CYVLTUHYSA-N 511.775 7.156 50 10 KKGE Cl[C@H](c1cc2cscc2s1)c1c(Br)sc(Br)c1Br 1924609217 UFJSODKLNNLFEO-SECBINFHSA-N 507.519 7.640 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)s1 1937735192 XEMPBBCQAXKJOQ-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(C(C)(C)N=C=O)c1I 1951440891 GHQADKLMAHMESM-UHFFFAOYSA-N 654.024 5.418 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1Br 2033084331 OGHBLVYRDODRFZ-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(Cl)ccc1Br)C(=O)OC(C)(C)C 2080304217 JTBONVHHTQLPDN-SFHVURJKSA-N 546.671 6.070 50 10 KKGE CCC(C)(CC)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500779 RDIUOQPFCBEWSU-GFCCVEGCSA-N 570.783 7.999 50 10 KKGE Fc1cc([C@@H](Br)Cc2ccccc2I)c(F)cc1Br 2087570408 QVSPDXMVQSFOHA-JTQLQIEISA-N 501.934 6.011 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 2136372915 WXPFRZLILOMRDW-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cnn(C)c2I)c1Br 2136383619 HJZHAHGAWDTKPS-GFCCVEGCSA-N 562.869 5.651 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2csc(Br)c2Br)cc1Br 2137658264 WQJQXQDWDILQIH-SNVBAGLBSA-N 554.323 7.182 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C(C1CC1)C1CC1 2141478028 VOFUFCIAYPPBLJ-CQSZACIVSA-N 536.327 7.453 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(C)c2)cc1Br 2142139952 CWLAPZIOKJLJMO-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(I)ccc2F)c1Br 2201077192 HHXPDXYMBSKSHD-HNNXBMFYSA-N 576.867 7.056 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396553 YGSWIORDKOLBQG-LLVKDONJSA-N 676.060 8.637 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206404533 ANABLXDPVNRIJB-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE ClCc1cc(Br)cc(Br)c1OC[C@H]1CC1(Br)Br 2213081357 CMDQCIHMORRGRO-SSDOTTSWSA-N 512.261 5.835 50 10 KKGE Clc1ccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222473411 SGFGAVWJXZQXEF-QMMMGPOBSA-N 538.324 7.368 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232510365 MPMYOPIJKLTRCK-NSHDSACASA-N 542.707 8.310 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(I)ccc1Br 2288347133 QEECBULESRRTSZ-LBPRGKRZSA-N 601.248 7.185 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198452 SZCOGIGWMJQYCB-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl 2295459776 WTLPBLSVSUPVHB-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccccc3Cl)c2)cc1 2295523552 JUXOTTQWFWLUPW-UHFFFAOYSA-N 567.045 5.546 50 10 KKGE COc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2295937266 IATWRPRZRUYJRC-UHFFFAOYSA-N 562.047 6.705 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313546029 XGYCNLAKMRPDQT-UHFFFAOYSA-N 655.405 5.164 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567096 GCCWWZWRNLZGRY-UHFFFAOYSA-N 571.302 6.591 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313570713 DREGVOZMQUQJQV-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl 2313738414 BWYWFIFDXYGYSF-UHFFFAOYSA-N 501.797 7.089 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571944 PFIBKAFGNQZGAD-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314611530 WIUMEULMKWMJCB-UHFFFAOYSA-N 542.639 6.427 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618522 OZQVXSSFQLTZJB-HSZRJFAPSA-N 577.084 7.335 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634400 MULJXNPYFJBGPZ-LJAQVGFWSA-N 512.562 5.330 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 2314634503 BHCWRRVMXAERPR-HKBQPEDESA-N 500.598 6.974 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ncccc2Br)c(I)c1 2317764618 YPORLVUJRWZSRR-NSHDSACASA-N 501.387 5.781 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328821202 CPKGGNYOGYURCO-AOMKIAJQSA-N 508.446 5.962 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1OC 2331431584 ZWTYZEVVJWRLDG-UHFFFAOYSA-N 505.640 5.919 50 10 KKGE CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cccc3c2[C@@]2(CCc4cccc(NCCSc5ccccc5)c42)CC3)cc(C(C)(C)C)c1 2333242443 GJLNYFIJEGFWHW-DTSDQNDWSA-N 780.159 13.018 50 10 KKGE Clc1ccc(C[C@@H](CBr)c2ccccc2Br)c(I)c1 2341027009 GLSMKJWUCOAGQA-NSHDSACASA-N 514.426 6.428 50 10 KKGE Cc1ccc(Oc2c(I)cc(Cl)cc2I)c(CBr)c1Cl 2360539970 IVYJXYOQJRGSBL-UHFFFAOYSA-N 597.843 7.198 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1Br 2365184876 GMHNQVPJGZXWNK-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)c(Br)o2)c1Br 2365215464 KPCPVAJJQMXMJA-LLVKDONJSA-N 531.864 6.677 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(I)c1 2365598128 OBXCQZIGJBNOLU-ZDUSSCGKSA-N 678.609 8.323 50 10 KKGE ClCc1ccc(Br)c(Cl)c1OCc1c(Br)cccc1Br 2366213784 FEJRHRMBCHMTLK-UHFFFAOYSA-N 503.843 6.945 50 10 KKGE COc1cccc(OCc2cc(I)ccc2Br)c1CBr 2367519275 GVJMWOQLIHLTAK-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 38683886 YODYNWUMNSTQAL-LJAQVGFWSA-N 514.578 5.385 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc(C)c1Cl 40912330 ZXSUNBJUSPHSLW-UVHMKAGCSA-N 501.808 5.827 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSS(C)(=O)=O 72400591 XFCGOGRLHYINGK-UHFFFAOYSA-N 532.985 11.622 50 10 KKGE in-vitro Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100060426 JPRSGWKEIFCFRO-UHFFFAOYSA-N 615.116 5.349 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 100227606 SHDYUAKBZXRJLL-XZJBEKIMSA-N 555.425 5.089 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 100236452 GWAHCULMZMMFHM-NYFJFQCHSA-N 555.469 5.789 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245746 BRGQDXNTJYAWSI-RAMZYJDASA-N 552.483 6.766 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 101246349 CNBNFPAYZXXUHL-RAMZYJDASA-N 536.484 6.984 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101341341 WIZHLSANNQQFOE-AJBULDERSA-N 586.648 5.664 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)c1 101369039 AHVCGFDKUYMUNR-VWLOTQADSA-N 535.394 5.684 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 101374795 ZNBKVAWVFJYCKD-HKBQPEDESA-N 542.632 6.029 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381680 KRVUBUGSRUCRDS-YTTGMZPUSA-N 546.623 6.882 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383780 DUKZBILDPORFQX-WJOKGBTCSA-N 550.586 6.629 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101387391 MLBULXZMYSRFPD-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101397245 ACQXUSUWWZTKRZ-SSEXGKCCSA-N 615.524 8.290 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101398895 WCJXZVTXYQZQIQ-KYJUHHDHSA-N 601.442 6.536 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 101727063 GMSABDTTWLENTN-VFLNYLIXSA-N 602.963 7.056 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 101766170 MYTMMQRQCTZDKY-PGGKNCGUSA-N 548.659 5.418 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OC 101766848 XPGUMTQDWHVHLX-VULFUBBASA-N 556.295 5.836 50 10 KKGE C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CCC2 103127928 SIYSFOMLMVHKJF-PDJZJWKYSA-N 506.389 5.901 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)O 103877062 FMIILKVWQVTWHR-FMFFXOCNSA-N 537.616 5.807 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cc(Br)c(Br)s1 128842647 RBJYJTFDONNWFD-JTQLQIEISA-N 509.872 7.026 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 150388339 IFQZXBASNNDWQH-UHFFFAOYSA-N 627.358 5.598 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 150428897 WPVWQHYMDWJRHJ-RDNGQCRJSA-N 640.372 7.306 50 10 KKGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc(C)c2)c(I)c1 150472656 JEBWFTYZWLRFCR-YBFXNURJSA-N 678.264 6.116 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 164651931 ZTHPSURRZBTONF-IURWMYGYSA-N 637.155 8.336 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 164698814 ZUBCCZBJBJLOCT-CIAFOILYSA-N 672.317 5.617 50 10 KKGE C(=C/c1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)n1)\c1cccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 195818335 JTFRPVICSBBENR-HEFFKOSUSA-N 703.806 8.491 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 206685287 CLQQHNBTPCNCMJ-IWNHYCIYSA-N 528.605 6.089 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206689944 WILFNACKBSRDMZ-WWSBGNKQSA-N 514.578 5.699 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214277609 BHWTZIMGIUAXJP-COEJQBHMSA-N 542.639 6.511 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 214310801 GEMXSBJEHPYNBS-QRQIAZFYSA-N 543.627 5.824 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 253573756 RUHUPGSYVBYPKA-AJBULDERSA-N 573.654 6.233 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4ccccc4c3)cc2OCC)cc1 254350259 LTHLJMVSELLFOE-UHFFFAOYSA-N 512.562 5.386 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 254554787 CHQCRILYLXDBGS-UHFFFAOYSA-N 592.700 5.479 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254702614 WDLAWQRFBUYGAZ-UHFFFAOYSA-N 551.728 6.572 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1ccc(NC(=O)c2ccoc2C)cc1 254770363 AURAJACRULWBTO-UHFFFAOYSA-N 507.546 6.320 50 10 KKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc2ccccc2c1 254772192 VBJNLNDDGAKPGM-UHFFFAOYSA-N 514.701 6.769 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2OCC)cc1 254871124 PQPBEQFDNXETQC-UHFFFAOYSA-N 568.626 5.811 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1cccc3ccccc13)[C@H]2Br 256020122 ZXHMWBOXEJWMOW-YSSFQJQWSA-N 531.082 6.431 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C(C)(C)C)cc1 256028479 PCBHETQQFCBHMB-UHFFFAOYSA-N 546.718 6.333 50 10 KKGE Fc1cc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2cc1Br 390473929 IFFVUISXYNHQCI-UHFFFAOYSA-N 514.870 6.812 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(C(C)C)C(C)C 616590987 VVTDWWSTBCENLT-PVWZANDCSA-N 752.933 8.437 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Br)c1cc(Br)sc1Br 712620718 UMHUYKLGMRARDR-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 725239168 ZFPJIDJKLCVWHD-VWLOTQADSA-N 535.031 6.561 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccs1 725415948 RYINFCLHPMQSPE-UHFFFAOYSA-N 524.429 6.650 50 10 KKGE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1OP(c1ccccc1)c1ccccc1 1073242228 VDNNRBDPKKKMFA-JEEYTNHRSA-N 650.648 6.338 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1083983393 IEZIWNDYTKMCKM-UHFFFAOYSA-N 631.585 7.560 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2c(F)cccc2Cl)cc1 1084079313 CFHDVAPHWVRSLV-UHFFFAOYSA-N 552.027 5.647 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084227238 SJKGIDIKRYQGRW-UHFFFAOYSA-N 576.074 5.594 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084297460 BYKKBZDYBBIPOC-UHFFFAOYSA-N 565.095 5.410 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cc2cc(Br)ccc2o1 1084308030 CHHOFRXLCNLWCS-UHFFFAOYSA-N 528.200 6.301 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)ccc2Cl)c1C)S(=O)(=O)c1ccccc1 1084360352 HSNMERGZNWFSOB-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE Cc1ccc(COc2c(I)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2I)cc1 1084390072 BHSSROPOPLWNIM-UHFFFAOYSA-N 751.406 8.313 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 1554495709 JFHBVUADKDWZFC-ZXCNWLNQSA-N 506.606 5.562 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749366 KCVKVDDPFXVWLB-UHFFFAOYSA-N 590.467 7.798 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688723 ZDXMVQNFZCQHIM-QFIPXVFZSA-N 523.431 5.196 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865690748 ABAQGJJGEAXALO-RUZDIDTESA-N 527.452 6.673 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OCC 1865690983 GQMFFLLKVZLKCA-QFIPXVFZSA-N 512.532 6.077 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865691090 IXQXIHRHRNJQLO-RUZDIDTESA-N 507.034 6.274 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccc(Cl)cc3)cc2)cc1 1865693554 OXVSQTAFVXHYMR-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCCCc1ccccc1 1865696518 GSIOGPCYXDQNCV-AREMUKBSSA-N 578.566 6.328 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697584 XHLMIMWRLRTUES-PMERELPUSA-N 558.638 6.715 50 10 KKGE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701569 YHRUVTUKABVKBP-QHCPKHFHSA-N 503.389 6.191 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703392 VBLKMJIAQWPLOV-GDLZYMKVSA-N 533.031 7.038 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866746363 OOHGLHZLBXAVRQ-IHLOFXLRSA-N 559.801 7.570 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1868456649 SKMOHOKUNVQWJW-BGYRXZFFSA-N 506.651 5.535 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1872754597 ABJITCWQKBCUHS-OQICMLARSA-N 517.607 5.721 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Cl)n2)c(OCC)c1 1872755665 ZANACGLYCAIYDG-QOCHGBHMSA-N 519.450 7.566 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc(OCC)c1OCC 1872757115 RDQIZXJYFKNQSZ-NMWGTECJSA-N 515.031 6.927 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc(I)sn1 1899882590 KSCZJRLKHXZKOU-KRWDZBQOSA-N 565.068 6.574 50 10 KKGE Cc1scc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 1902875496 HDNQJFGYIBXIEH-VIFPVBQESA-N 509.908 6.890 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915105681 KLKBRJVFEPPXME-CYBMUJFWSA-N 551.060 5.870 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915753257 AXZUQGJKPBAQMP-UHFFFAOYSA-N 551.060 5.870 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)ccc2Br)c1Br 1922897845 QDYLWLDKPBWFPY-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE CC(C)(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048561 RDIVEDWFPVDBEA-JTQLQIEISA-N 542.729 7.219 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1 2026220951 IQEWRBLCTGDTNX-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE CC(C)(C)c1cc(-c2ccccc2[C@H](CP(c2ccccc2)c2ccccc2)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(C)(C)C)c1 2080762982 YFYKUDPRTXTMTJ-LHEWISCISA-N 733.777 11.590 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1ccc(Br)cc1Br 2083333351 GJSMWRYYMDGXOG-LBPRGKRZSA-N 501.813 6.598 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(I)cc2)c1Br 2083336464 AHUMGFLMAWHLOO-CQSZACIVSA-N 544.850 6.609 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2I)c(F)cc1Br 2142289877 VLOIWXAERNKGID-ZDUSSCGKSA-N 566.803 6.579 50 10 KKGE Clc1cc(Br)c(OCc2cccc(Br)c2Br)c(CBr)c1 2148751203 OPLBZXQSCKGQNO-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2cc(Br)c(Cl)s2)c1 2172413148 UTDSUVQTUJLNQV-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)c(F)c1Cl 2201610204 FJKPTRLEIHCAAA-LLVKDONJSA-N 556.797 7.076 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2202346266 PZCXDDCDPNHJHZ-CQSZACIVSA-N 503.843 6.964 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccsc2S(C)(=O)=O)c1Br 2203687075 WCOJOWDRMGZDFL-GFCCVEGCSA-N 503.075 5.469 50 10 KKGE FC1(F)[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206393953 CYHQYIYWSXVYGH-WDEREUQCSA-N 558.280 7.452 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)s1 2215944130 VXNJXMKOTHLTAY-ZCFIWIBFSA-N 544.353 7.543 50 10 KKGE COC[C@@H](C)OC[C@@H](Br)Cc1sc(Br)c(Br)c1Br 2222471717 MITJUQRBZNSLRF-RQJHMYQMSA-N 529.914 5.393 50 10 KKGE BrCC(CBr)(Cc1cscc1Br)c1ccccc1Br 2227115248 JWYIMLBVRPOUEO-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)cc(C)c1Br 2227417739 FAXQMDIZEOMBBX-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2234056029 FSYCTWOLNCWBMV-XSRSJLKASA-N 509.673 6.164 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2scc(C(F)(F)F)c2Br)c1 2240994913 APJKDYFFQVWLSD-SNVBAGLBSA-N 539.980 6.927 50 10 KKGE Cn1nc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1Cl 2277952961 LWJXADSIJRDUPT-VIFPVBQESA-N 536.287 6.040 50 10 KKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2277960327 ZWAGUIMZRHSNRB-ZDUSSCGKSA-N 515.840 6.792 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293198207 INQGJGJCXCAXIJ-QHCPKHFHSA-N 542.875 7.020 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295345270 KCQSAKBUZAFXAB-CQSZACIVSA-N 527.876 6.661 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC 2295937342 ZCWXEQJVLKHSCK-UHFFFAOYSA-N 560.075 7.314 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 2297321168 PBFVMUBVRITULQ-UHFFFAOYSA-N 575.112 7.414 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 2313521460 PKXLJFFUSFXZKE-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 2314415149 ZBUULNRSDONWRJ-UHFFFAOYSA-N 510.597 6.972 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 2314478769 VGJWOTDKTXSVPS-UHFFFAOYSA-N 531.637 6.765 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](CC)C2 2314571804 MHFAQBVPKBCSLQ-FQEVSTJZSA-N 544.673 6.573 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592445 UFAQLVNODIVTGB-RUZDIDTESA-N 518.038 6.112 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 2314640754 WBNKEVVNCLTDQW-HKBQPEDESA-N 569.444 7.409 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnsc2Br)c(C)c1Br 2315620774 ZAPCCWXYMCOSGA-LLVKDONJSA-N 518.894 6.532 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)c(Br)c(OC)c1OC 2331293904 PUEXNRLQIFMGSX-UHFFFAOYSA-N 507.793 6.202 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)n2)c(OC)c1OC 2331412585 MEENHWJTYYLUOD-UHFFFAOYSA-N 519.579 5.180 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCc1ccc(C)cc1 2331453476 WTTSVGGLGNGSLH-UHFFFAOYSA-N 508.687 8.458 50 10 KKGE Brc1cc(Br)cc(CO[C@@H](CI)c2ccccc2Br)c1 2362248012 OXSGNAIMNVZZFS-HNNXBMFYSA-N 574.876 6.667 50 10 KKGE CCn1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)nc1Br 2365185940 LSKNWUPUCWOFEL-SNVBAGLBSA-N 533.859 6.122 50 10 KKGE CN(Cc1c(Br)cccc1Br)c1ccc(Br)cc1CBr 2366159620 BXNINACBIOFZNX-UHFFFAOYSA-N 526.892 6.505 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2c(Br)sc(Br)c2Cl)c1 2366798187 SGQKMXXZEULOGL-VIFPVBQESA-N 542.345 8.302 50 10 KKGE BrCc1cc(Br)c(OCc2ccc(I)c(Br)c2)c(Br)c1 2377290130 HOSQQEPHBGRGNQ-UHFFFAOYSA-N 639.745 7.053 50 10 KKGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(F)cc1 16136601 WJEYYBTXKUYKKT-MWLSYYOVSA-N 506.628 5.098 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccco1 33599878 RHIXJKPNKAODNS-BWAHOGKJSA-N 500.558 5.935 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)c1 35212779 SUDISMGQSIHJDU-YKMWHWIESA-N 502.039 6.330 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1F 38606117 NGXDBRAEHAYLIW-LFVJCYFKSA-N 528.584 5.096 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)c1 38651523 NBTXOCIIVOMKIW-RUZDIDTESA-N 505.368 5.269 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 38684782 NGDAFFZSDQDRPW-GDLZYMKVSA-N 514.578 5.467 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)oc2ccc(F)cc12 38701134 YRBDZVKJIKAWRN-MUUNZHRXSA-N 526.564 6.743 50 10 KKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 59254472 SNYQSJCNUWTQNE-LICLKQGHSA-N 514.334 7.561 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 100238524 SRMHQLZTMCOXRE-UWCMXIFYSA-N 560.647 5.484 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(C)cc1 100335931 IYHLJEYLVMFLPC-WSDLNYQXSA-N 538.385 5.411 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1 100452683 YEUJSSPDUSRCAE-CHVMBPBASA-N 593.259 5.597 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 101338879 RKVPRZKIDGCFSL-VUTHCHCSSA-N 534.660 6.562 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101341340 MKOVGMVQTSYDGC-NDZAJKAJSA-N 621.093 6.317 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362389 BXWYEEZAIZPCJO-GPPZECJMSA-N 569.444 7.409 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OC 101372176 UPRGDBXJNFKKEM-MUUNZHRXSA-N 543.576 6.000 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389745 JYVSVMADIFIJTE-PMERELPUSA-N 616.001 6.802 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1 101392935 DFMSCTUOYPJKOZ-WJOKGBTCSA-N 593.035 7.420 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCCC(C)C 101395826 UUQHOYMQCOFPBL-JGCGQSQUSA-N 580.681 7.565 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603179 JXZAKFQZCWBSJL-RDRPBHBLSA-N 525.219 6.924 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1ccccc1 102834459 QVLFPCKWMMIUQD-WQNJBNFLSA-N 542.614 7.042 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103741599 JVDBLJAQGGICOC-LAWMERGMSA-N 543.667 6.770 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 103742995 LGJQQSYKEZBXKG-ABPPERTMSA-N 522.457 6.675 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccccc2I)c1 104040076 LYIXLLMKMBKWTC-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 150382920 IYDKQHUUBZXCOZ-IPYFEQEDSA-N 685.256 5.347 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150388404 RSFSDUGCMPFYNR-UHFFFAOYSA-N 696.215 5.760 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433882 GOXOXVYWQXCHCK-PMERELPUSA-N 677.993 9.277 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 150486229 LMKPGUWVIDSCNX-WJOKGBTCSA-N 645.550 8.299 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2ccc(Br)c3ccccc23)c1 161112094 CONZDXMQOCGYKT-QGZVFWFLSA-N 533.883 7.612 50 10 KKGE Clc1cc(Br)ccc1CC(CBr)(CBr)c1ccc(Br)cc1 168969124 YTZAARDWSDEBQU-UHFFFAOYSA-N 560.349 7.135 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395119 QMTRRGMBNMYYFE-KLTSJWCFSA-N 554.643 6.115 50 10 KKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206509309 FOQQPZOCNYVBSM-FTDKWWBHSA-N 540.616 5.643 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 213425893 HODUUTHQNQITGS-QJFUSZSVSA-N 779.062 9.261 50 10 KKGE CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 214120964 JUHAOHJRZIHKIP-ZWXJPIIXSA-N 654.899 9.823 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214363965 OOKWKFLRWCKAQP-DAJTYMAISA-N 518.617 5.788 50 10 KKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccccc4Sc4ccccc4)cc3)sc2c1 217243884 BDERBEGLLBAXJA-QOCHGBHMSA-N 518.667 7.881 50 10 KKGE C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 217964102 UHCDRCBBCZLXBO-MHTULYFYSA-N 641.186 12.671 50 10 KKGE in-vitro O=C(COc1ccccc1C=NNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1 252620638 MIKPOGQXSYJDPF-UHFFFAOYSA-N 553.324 5.119 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cc2ccccc2cc1O 252634642 WPSPGWAXMIHLPW-UHFFFAOYSA-N 531.597 6.301 50 10 KKGE CSc1ccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 254608414 YXYQAPXGIXDTDT-UHFFFAOYSA-N 534.732 5.599 50 10 KKGE COc1ccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1O 254735145 VMOPQWRXFYTFJO-UHFFFAOYSA-N 529.666 5.579 50 10 KKGE CC1=C(C=O)[C@@H](c2ccccc2)C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)=C(C)N1 575416056 QLZVEFIQSQFQRJ-JGCGQSQUSA-N 535.688 5.071 50 10 KKGE in-vitro Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2Oc2c(P(c4ccc(C)cc4)c4ccc(C)cc4)cccc2C3(C)C)cc1 725444868 XFWUEUUJUCVNQG-UHFFFAOYSA-N 634.740 8.868 50 10 KKGE CC(C)c1ccc(N(CC(=O)NN=Cc2c(O)ccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 1083971895 OWAJTABIIIBMSH-UHFFFAOYSA-N 501.608 5.014 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1083974742 WUWFWZWQUTZWPJ-OAHLLOKOSA-N 594.236 5.966 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 1084044962 NXTUUTPFWPDMPB-MUUNZHRXSA-N 516.638 5.674 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084289671 HBHDFSWIHNTFGM-MHZLTWQESA-N 516.594 5.055 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084349845 PKNUCJJAOQMBNU-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084388622 DJWBJTAWMSRTJM-UHFFFAOYSA-N 572.584 5.598 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc2ccccc2c1 1084517724 LPBCKOKZDAGKMD-CVKSISIWSA-N 580.482 6.937 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 1084578919 OFXGIODGPUZZFI-UHFFFAOYSA-N 561.711 6.867 50 10 KKGE C[C@@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1085897489 PRCMMETVWMEYKS-OZMVWAATSA-N 649.070 6.282 50 10 KKGE C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@@H]3O)[C@@H]3[C@H]([C@](C)(O)C/C=C/C(C)(C)OO)CC[C@]32C)[C@@]1(C)CCC(=O)O 1534688716 FQGZRIVWYITDFN-FDAMLWCHSA-N 680.876 5.263 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=C1CCCc2c1no[n+]2[O-] 1565517680 NODPERBQXWHTSA-QHCPKHFHSA-N 686.340 5.048 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773618 JYUVYDXFZCBMDX-VUCXXWHUSA-N 661.129 10.545 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772745054 PVFBYWVQVNODFG-UHFFFAOYSA-N 507.871 6.122 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748000 UMXDYNIPEKEDMO-UHFFFAOYSA-N 532.427 7.285 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(Br)cc5)c(C)c43)coc2c1C 1772751629 IERRRXGAVSPSPQ-UHFFFAOYSA-N 591.462 5.188 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](SC)O[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@@H]1O 1776009079 HPMBDJNVAAGAKM-PHIMIXCFSA-N 901.821 12.454 50 10 KKGE CC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848435237 NMNGXZIYPJHWNQ-QGJVBDAPSA-N 793.786 6.704 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c1O 1865684447 QHEDNHAZIROEMO-JOCHJYFZSA-N 502.933 5.323 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685073 DSRJLCKYNOWVKL-QFIPXVFZSA-N 558.252 7.380 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686546 XCGPRNAEWFHGFA-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865687450 RNXFXJSOCXHIOL-PMERELPUSA-N 558.613 6.543 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688324 PEKSSRVTNQTAEZ-GDLZYMKVSA-N 520.633 6.247 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865691852 CMVVENFVNIWPOZ-HSZRJFAPSA-N 537.458 5.993 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692821 JCIJEVZYMIQNCG-WJOKGBTCSA-N 554.650 6.962 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865694163 QRSGFUXJOZGRFQ-QGZVFWFLSA-N 505.294 5.270 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694447 YIDJWWYKFXOTSG-DEOSSOPVSA-N 511.453 6.588 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OC 1865695251 AQXUPLWAKLKNLX-NDEPHWFRSA-N 571.077 6.997 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865697553 WIFSCNMKVQUYJX-HXUWFJFHSA-N 529.822 5.476 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697948 GQVCAXMEMDERRU-NRFANRHFSA-N 509.404 5.211 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1C 1865703164 OUNYXXWUCCBQPS-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703717 CWCIIOZWPSSCIC-LJAQVGFWSA-N 513.601 6.170 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1OCc1cccc(C)c1 1865705509 XKJNRCYKRCXOKL-SSEXGKCCSA-N 572.640 6.852 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706062 MSMWATMPKZUYGE-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707179 QAXXBKKGROKHAC-NDEPHWFRSA-N 578.113 5.401 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714056 BPJXDEFFDWZBKS-RUZDIDTESA-N 501.502 5.524 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865715023 TUURJAMUMOTUSW-XMMPIXPASA-N 527.422 5.896 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867026076 IFCJATXKEXSNAB-HKBQPEDESA-N 579.722 6.675 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1868253776 SUTQDGYUMHERCR-OAQYLSRUSA-N 524.488 5.956 50 10 KKGE COc1ccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1 1868300649 GNQXUIWRABUDQW-XIFFEERXSA-N 555.707 7.930 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)CC2 1868320113 BSJBZFKPOGTRGY-HKBQPEDESA-N 551.716 7.546 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H](C)N1c1ccccc1 1868456529 QZVALWHZCGENLU-NHCUHLMSSA-N 510.642 6.703 50 10 KKGE COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872728017 KHBDULAEWSROOG-GZTJUZNOSA-N 512.824 7.494 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745055 AMTGEMMGCNBUOU-RFBIWTDZSA-N 518.598 5.830 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@]23CCC[C@@H]2C3)c1Br 1908410039 PDUVSGAZVDXFBL-QHMRUWFYSA-N 507.911 7.052 50 10 KKGE C[C@@H]1[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1(F)F 1924568873 MWUIVVPFEAIHQX-WITFEUSKSA-N 503.826 6.373 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3c(c2)CCCC3)c1Br 1924572551 ZQRRXUCJRFFNAY-GFCCVEGCSA-N 543.944 7.399 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1 1924583349 JAKIBJPMLBLAHI-SECBINFHSA-N 509.927 7.442 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1Br 1924602556 ZAONJDUTWSLIGY-DNRKLUKYSA-N 549.992 8.078 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 2054808400 LAVNQRWLLQGEIB-CUSRITNRSA-N 995.611 5.842 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 2138159030 GFEXHEJWONKHOH-LLVKDONJSA-N 537.868 6.668 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1cccc(Br)c1Br 2148748395 CHEJNFUJGSAYMF-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(F)cc2I)cc1Br 2202353963 VDOUCZLQSPHPAH-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC[C@@H]2CCCCO2)c1Br 2206398796 ZCHYLJZHXFAJDK-IUCAKERBSA-N 598.793 7.522 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206398963 AVYFEQBGRPLNIM-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1Br 2227354250 WPAPJDLCVCNKBJ-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE C[C@@]1(Cn2c(CCl)nc3cc(Br)c(Br)cc32)CCN(Cc2ccccc2)C1 2234064983 HQBJQLRBAKLOJO-OAQYLSRUSA-N 511.689 6.212 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 2235608461 JQUCGSFTZFKBHL-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1ccc2c(c1Br)CCO2 2238072671 ZGQFZVBGPXXCIF-OAHLLOKOSA-N 528.409 6.079 50 10 KKGE Brc1cc([C@@H](Br)c2ccc([C@H]3CCOC3)s2)ccc1I 2240435288 YRCYOFWTKCGFJE-ZUZCIYMTSA-N 528.047 6.103 50 10 KKGE CCc1cc([C@@H](Br)c2cc(Br)sc2Br)sc1Br 2248016222 RRMSONXFOQCVSB-VIFPVBQESA-N 523.935 7.144 50 10 KKGE FC1(F)CC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2252725348 XDMBNKFAYKMEGY-NJGYIYPDSA-N 517.853 6.907 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)sn1 2260069187 SIBYIQWKPHDMFQ-QMMMGPOBSA-N 526.820 6.193 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)cc1Br 2270437214 KNPOTPOYHRKZKG-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4[nH]3)c2)C[C@H](C)O1 2296544430 CJNBMBXOVCPPPN-VXKWHMMOSA-N 564.671 5.278 50 10 KKGE O=C(CNc1c(Br)cc(Br)cc1Br)NN=CC=Cc1ccccc1 2296646570 UYPBXCHDBZLOBP-UHFFFAOYSA-N 516.031 5.201 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2297635473 LRUWJHWXRDOOHF-UHFFFAOYSA-N 501.454 7.496 50 10 KKGE O=C(NN=Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297635584 UWSKIYRGQVJROG-UHFFFAOYSA-N 560.566 5.291 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2sc(Br)cc2Br)n1C 2300270568 YHQLXQDCDCHVAE-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1F 2313571349 UAGYPYOWMAOKGA-UHFFFAOYSA-N 597.211 6.870 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314489631 UEEQEHHMLVMEHZ-UHFFFAOYSA-N 546.358 6.911 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 2314643174 GCHRLYJENDSZKZ-UUWRZZSWSA-N 625.552 8.707 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccco3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2318356189 LBDZEHZLFIVDEX-UHFFFAOYSA-N 500.605 5.258 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Br)cc2Cl)n1 2331323668 RVEADEKMWGTPQO-UHFFFAOYSA-N 519.848 7.195 50 10 KKGE CCCCCCCCC=CCCCCCCCC(=O)OCC(Cl)COC(=O)CCCCCCCC=CCCCCCCCC 2333273608 DAZPTUUOSKRURB-UHFFFAOYSA-N 639.446 12.755 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2340799538 RRGLFFJQQQXBCK-HXUWFJFHSA-N 519.035 7.958 50 10 KKGE Clc1c(CBr)cccc1OCc1ccc(I)c(Br)c1 2349806333 KAIVPLFRHKYRLW-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Clc1ccc(CC(CBr)(CBr)c2ccccc2)c(I)c1 2366714831 LSJXEOHAPYQVKR-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE Clc1cccc(C[C@@H](CBr)Cc2ccc(I)c(Br)c2)c1 2377330079 OJGCBYRHFSESPQ-CYBMUJFWSA-N 528.453 6.503 50 10 KKGE ClC[C@H](Cc1cccc(Br)c1)Cc1ccc(I)c(Br)c1 2377352620 LUFSGBHEYQAMMO-CYBMUJFWSA-N 528.453 6.456 50 10 KKGE CCn1nc(Br)c(COc2c(Br)cc(CBr)cc2Br)n1 2379957605 GURSHYOYXKECJI-UHFFFAOYSA-N 532.856 5.059 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)c(Br)c1 14041616 WSJIRVGJMOOJJO-UHFFFAOYSA-N 511.416 5.034 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c1 38651762 TVGZMGPWWVZPHO-RUZDIDTESA-N 519.395 6.065 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc21 38660689 JXJNLFPQGKEVFH-QFIPXVFZSA-N 511.759 5.548 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OC 38681931 ITMCYAOQBGQCJF-LJAQVGFWSA-N 512.606 6.400 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCC(C)C 38684249 ZSGPHUVSCMKYGK-SANMLTNESA-N 504.970 5.821 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)cc1 39858655 DLQYGQUVPRCXPV-XLNRJJMWSA-N 522.561 5.080 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811801 HBYWBOSNJVVHSB-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 59304464 USNZORMPRCENAY-KEIPNQJHSA-N 503.577 6.935 50 10 KKGE C=CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 59680289 YLDITIHLKVQPRN-QCFMCPCVSA-N 528.656 7.189 50 10 KKGE O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1Br)c1cccc(Br)c1 72231275 COLBULRIFKFMAN-ZMOGYAJESA-N 501.178 5.228 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1OC 97914888 AMCSWCZSPFZNTB-HHHXNRCGSA-N 501.067 5.202 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 100104943 GVKZCDPRXQBLIJ-UHFFFAOYSA-N 563.271 5.943 50 10 KKGE O=C(NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccc(NC(=O)c2ccccc2)cc1 100212901 YAJHWAZUUFYMKW-UHFFFAOYSA-N 617.525 5.272 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 100237334 JACLCBYUUSHVIO-POBUXNOSSA-N 531.436 5.944 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 100958786 WMHQEGNOCFIXGN-RZWSOBKFSA-N 612.708 5.755 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101367618 NYLKQEUQRCWQRD-AREMUKBSSA-N 549.421 6.074 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101372426 AQFRXAHOBBVAJY-DHUJRADRSA-N 588.704 7.610 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385419 CMLSCVJUWNPBQN-JGCGQSQUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 101395779 ISXSAQCGUAUPSW-MHZLTWQESA-N 623.558 8.469 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)c1 102667137 MWGBEZMOGIQASQ-RDKICWGTSA-N 522.457 6.675 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)ccc1OC(C)C 102778961 YGLJRVSNYUBNFE-VHQSNGLJSA-N 559.103 5.126 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 103742439 OYAFBGSNTVUHOM-XCQFTPQJSA-N 542.875 6.389 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 103876957 FKHIKTJBBVJYPY-FDAWAROLSA-N 524.964 7.038 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C)c1 103878882 PAGMDFMAAZFXCN-XODNFHPESA-N 572.253 6.618 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)cc1 103884426 BCLRDFILVYAMNU-XIEYBQDHSA-N 576.922 6.666 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 105457833 NRFYQZRSUPLINA-YLKCYHHESA-N 533.626 6.700 50 10 KKGE CCC(=C(c1ccc(OC(=O)CCBr)cc1)c1ccc(OC(=O)CCBr)cc1)c1ccccc1 111445214 UYSSWWJEIFIMLY-UHFFFAOYSA-N 586.320 7.437 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411416 NARVFQPPLYRDHA-XRWMEBAZSA-N 684.749 6.174 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433406 PQSHMSUJHOYFRZ-YTTGMZPUSA-N 677.537 7.434 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463062 BRVXDKXSKUOTEQ-IOWSJCHKSA-N 631.468 6.545 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214385001 XBEUZYAYNDRVNS-DICXZTSXSA-N 542.595 5.677 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214401438 DTQQQSFVIBFTMU-JDCMOKTRSA-N 602.760 7.275 50 10 KKGE Clc1sc([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 236038241 ICPRFXJRXUZWGU-JTQLQIEISA-N 526.846 6.859 50 10 KKGE C/C(=C/C[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@@H](C)[C@@H](O)[C@H](C)C(=O)C(C)(C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 248203183 XPWGOKRSLJTZLR-BUCIWLIVSA-N 838.518 13.783 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 253566105 INTMBJBKCOKBGQ-FADJLKOXSA-N 605.772 5.606 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 254378050 AWDOAEHJBGZQLE-UHFFFAOYSA-N 502.634 5.218 50 10 KKGE CCc1sc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2cc([N+](=O)[O-])c(CC)s2)cc1[N+](=O)[O-] 254403921 SEERXUMQXZGDAI-UHFFFAOYSA-N 564.690 5.472 50 10 KKGE CC(=NNC(=O)c1ccccc1S(N)(=O)=O)[C@@H](CN(CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254483074 PRVZTMJNLGTEIR-GRKNLSHJSA-N 646.810 5.314 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254493193 MGSWNNCVPJQNKD-UHFFFAOYSA-N 543.693 5.882 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254822313 CGSYRKZKYQARHT-UHFFFAOYSA-N 580.810 9.025 50 10 KKGE CN[C@H]1CC[C@H](O[C@H]2/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@H]2OC(C)=O)[C@H]3OC)O[C@H]1C 575232395 MGIACLJTFQJLSW-VODFDKPKSA-N 985.339 5.741 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589150 PGJKESPHANLWME-GSNGNAKDSA-N 970.194 10.101 50 10 KKGE O=C(NC1CCN(Cc2ccccc2)CC1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237677 LNTFMZLQNDEQSD-VWLOTQADSA-N 550.046 5.861 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725392959 LXENQOBPIIXDRO-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 725404500 RUFFCYVSVZAUME-QHCPKHFHSA-N 580.306 6.698 50 10 KKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 1084010485 BPEFENRMWTWRJK-UHFFFAOYSA-N 512.075 5.704 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1 1084047117 NPIBLZAIHZUUFB-UHFFFAOYSA-N 600.480 5.776 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 1084089214 GKYYZMJBRWIGPK-UHFFFAOYSA-N 592.117 5.486 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1084146955 DNSZVOBDOQBCEP-UHFFFAOYSA-N 541.991 5.974 50 10 KKGE Cc1ccc(OCC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1Cl 1084199391 OZXBVXBSMOCILO-UHFFFAOYSA-N 509.993 5.684 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(-c2ccccc2)cc1 1084251921 HPBJWIUXYRCPPN-UHFFFAOYSA-N 512.407 7.034 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 1084421725 GCTAYPUDFPCPKN-ATVHPVEESA-N 528.244 7.197 50 10 KKGE O=C(NN=Cc1cccc(Br)c1)c1ccc(-c2ccc(C(=O)NN=Cc3cccc(Br)c3)cc2)cc1 1084475779 QBVCTPCAZMSWNG-UHFFFAOYSA-N 604.302 6.406 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084481894 FMEODQITELSACQ-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 1084536906 AGMWJWUCSUOKPV-UHFFFAOYSA-N 533.378 5.965 50 10 KKGE COc1cc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 1084599897 BGMANTAYMJXCKR-UHFFFAOYSA-N 547.789 5.111 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1 1084655103 KHENUTVHYRRMFD-XMMPIXPASA-N 620.338 6.162 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751689 WQUZNQAHHUUGCW-UHFFFAOYSA-N 507.377 6.166 50 10 KKGE CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC 1775963454 BQELFFWURYQYQN-HINFQRMISA-N 609.376 11.751 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cc(Br)c(O)c(OCC)c1 1865688299 OQCOPXPDECRHPG-HXUWFJFHSA-N 525.403 5.054 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OCC 1865689184 MBAWMMFMQUOWGC-RUZDIDTESA-N 557.448 6.317 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865691232 NKSUKQTXVGAHTH-RUZDIDTESA-N 551.485 6.438 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccc(C)cc3)cc2)cc1 1865694397 XNLYZHYRWKRCRA-DEOSSOPVSA-N 516.523 6.305 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccc(Cl)cc3)cc2)cc1 1865694534 YVIUPTYNBACZIQ-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694588 XKNWISLARKGATM-SANMLTNESA-N 561.469 6.921 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703595 CDRKBRBORYISDI-WJOKGBTCSA-N 547.618 6.885 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706369 UZDGJJMVQLARPT-QHCPKHFHSA-N 566.376 6.179 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865706831 GNBUUZGIONGXPB-XMMPIXPASA-N 549.984 6.789 50 10 KKGE COc1ccc(CCCC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866785100 JRTZUUFEHKMNSE-VWLOTQADSA-N 549.718 5.657 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2ccc(F)cc2)cc1OC 1867209757 CQCWCYWKQDNDNJ-WDYNHAJCSA-N 583.685 6.304 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1868231667 NUTHFNNKIFSTFC-NRFANRHFSA-N 510.461 6.257 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)n1 1868342560 WBKPCWJELCJYCE-MUUNZHRXSA-N 526.109 7.896 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OCC)c1 1872755251 FESQOIAZHYDUCW-OLIJMITPSA-N 505.423 7.174 50 10 KKGE Cc1scc([C@H](Br)c2cc(Br)sc2Br)c1Br 1902871295 GOVHIUPINFJCFI-SECBINFHSA-N 509.908 6.890 50 10 KKGE Fc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 1922944446 YVINBWIHCSTVIX-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923073541 XVNSEYBGQHBTDC-SECBINFHSA-N 572.769 8.135 50 10 KKGE O=[N+]([O-])c1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)o1 1924590376 IVEJDNXLCNYXHP-ZCFIWIBFSA-N 524.810 6.021 50 10 KKGE CC[C@H](C)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780094 OWUMUYKKPUNMJX-NKWVEPMBSA-N 556.756 7.609 50 10 KKGE COc1ccc(C=C2C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)=C(C)N)cc1 2042440717 WILCZCMGHLBOOA-JOCHJYFZSA-N 523.633 5.875 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1OC 2042446167 WKCRJTTZUJSZJQ-UHFFFAOYSA-N 527.362 5.262 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2085494370 LHCSDPJLCVKEHF-LLVKDONJSA-N 647.644 8.045 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Cl)cc(Br)c2)c1Br 2138852480 NQNODLBPZKZCDU-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)cc(Br)c2)c1Br 2138856282 ZTARJYPNPYEPSX-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146627279 JFCZGKIIXKGZCG-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1ccc(I)c(Br)c1 2199556839 LKCZEKKHUZATNB-OAHLLOKOSA-N 515.027 5.079 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206393908 CJGBGRGYZLBGGD-NSHDSACASA-N 767.511 8.588 50 10 KKGE FC(F)c1cscc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396670 ZQBHOWKHSMTHFR-LLVKDONJSA-N 574.304 8.064 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1Br 2207276089 SIMPQOQYPPJPKH-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE CN(Cc1ccccc1)C1(Cn2c(CCl)nc3cc(Br)c(Br)cc32)CCC1 2234064550 GUNJECAJJREVIE-UHFFFAOYSA-N 511.689 6.355 50 10 KKGE CCCCCCc1ccc([C@@H](Br)c2cc(Br)sc2Br)s1 2234126685 ODHKUBHLPFMURY-AWEZNQCLSA-N 501.147 7.942 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(C)ccc1I 2240994779 CDSOHQNTVZFIDL-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE Brc1cc2sc([C@H](Br)c3csc(I)c3)cc2s1 2252900597 MRVPJBCUISUDSD-LLVKDONJSA-N 520.074 6.876 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(I)c(Cl)c2)c(Br)c1C 2253506733 ZJRZRHIOAUNFSM-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2264376957 LNKJXKJOMFXEQE-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1Br 2279058362 QVLVYZVDSBENTN-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(Br)c1Cl 2283558069 HJKVKGNGQRTBOT-NSHDSACASA-N 548.294 7.120 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(C(C)(C)C)ccc2O)cc1 2293556305 SJUJPZBIBKVSAJ-UHFFFAOYSA-N 547.099 6.111 50 10 KKGE Cc1ccc(C)c(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)c1C 2294700851 HVFZQWPGXOGATI-UHFFFAOYSA-N 511.372 5.115 50 10 KKGE CON(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1C[C@H]3O 2294818768 XZQBRLRNHXZLEG-QKRLTRQWSA-N 674.055 7.997 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OCC)c1C 2296790059 LJLMUWPRQRFUEJ-UHFFFAOYSA-N 523.592 5.405 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 2297488339 CWBSCQQUBWNWBB-UHFFFAOYSA-N 500.562 5.588 50 10 KKGE O=C(O)C(NC(=O)c1ccccc1)=C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297498350 YETXCTDLKKVEQC-UHFFFAOYSA-O 528.568 5.864 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)NCCc1c[nH]c2ccccc12 2313557173 WFMKXNNCLAJBOW-UHFFFAOYSA-N 544.405 5.504 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1 2313567527 LAEFHOLDEJBTBS-UHFFFAOYSA-N 611.334 6.055 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313571339 SZSOCJJCTVFNTB-UHFFFAOYSA-N 615.138 8.586 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313571377 UUQBWJCMUZEGQM-UHFFFAOYSA-N 587.257 7.517 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592101 LVYBOPPPHDHWMU-RUZDIDTESA-N 568.482 6.466 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592298 QFLZPVPKLHZANP-MHZLTWQESA-N 511.647 6.021 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2314617442 YMBNKGJSTOCBMP-UHFFFAOYSA-N 507.329 5.775 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 2314634444 TVNRZGADJQZXSH-WJOKGBTCSA-N 500.554 6.624 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634471 WEVMUCODKPTDNR-MUUNZHRXSA-N 514.965 5.750 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccccc5Cl)cs4)cc3C2=O)c1 2331265803 BVDVRCUTKIYMLR-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCCc1ccccc1 2331414056 BNOOLDKGGWJUFX-UHFFFAOYSA-N 514.650 8.171 50 10 KKGE Brc1ccccc1[C@@H](CI)OCc1cccc(I)c1 2341622229 CLNTZOZTSYYYEO-OAHLLOKOSA-N 542.980 5.747 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2361193170 XUOSHXQQRGSCGZ-TYCQWZJGSA-N 500.221 7.680 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1I 2362235529 MIZHSGBQKVDECG-GFCCVEGCSA-N 597.285 7.401 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1Cl 2365595681 MMTZBNCWXNLKFC-NSHDSACASA-N 556.797 7.123 50 10 KKGE Cc1c(O)c(Br)c(C)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1O 3090256 BWQUBJNBZUVPLE-YSURURNPSA-N 506.194 5.086 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1cccc(C(F)(F)F)c1 3241518 POXOHBUUZPEYOH-UYRXBGFRSA-N 526.474 6.210 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@H](C)C4)cc2)cc1OC 6167548 GVRXXOPMRMYZFT-JRLUURRCSA-N 635.783 6.407 50 10 KKGE CCCCc1nc(N2CCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378634 MNURTDLXBNUQPJ-VWLOTQADSA-N 521.040 5.234 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1Cl 38649562 POSDMDGBJPLPPD-VWLOTQADSA-N 523.416 6.953 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38660094 STJLDJWNVGKCTO-LJAQVGFWSA-N 514.578 5.385 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701100 SECOPBGXLKHFHU-NDEPHWFRSA-N 506.558 6.360 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 39884997 LYMNJGLCYRNIAL-XDHOZWIPSA-N 506.936 8.960 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 40514576 VZHBQYCHHCOOHV-WSDLNYQXSA-N 525.432 6.506 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 40813475 CFSGHZBZRCDUNW-TURZUDJPSA-N 510.934 5.271 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC 40924572 ZGAGAEXCTCFNKT-WYMPLXKRSA-N 520.474 5.612 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 83317038 LLIRPXKGTGHZNO-WPWMEQJKSA-N 501.649 5.927 50 10 KKGE Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 100142663 JIWBXEBHBJKNOT-VKUNSFDQSA-N 594.136 7.542 50 10 KKGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(-c2ccccc2)cc1 100207295 HXTWYSFIYHMMPJ-UHFFFAOYSA-N 574.500 5.687 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 100238577 FRRXGGRAJLVHGK-KJTWNORHSA-N 616.496 5.940 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CC[C@@H](C)C2 101193791 PZYAQWSGYCGJQF-CXDFQFJYSA-N 546.048 7.057 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245553 SYJRRQOLQMNCNE-HFVAWESISA-N 550.511 7.490 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101334948 MSROBLFQGCAHMT-WEMUVCOSSA-N 570.693 7.291 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 101339676 WLYOTCIJIJVVHQ-LQKURTRISA-N 572.621 5.768 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 101370861 XBVDCWOSCCWMNH-JOCHJYFZSA-N 546.204 5.958 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101375585 CXPRAUKRCQWHRA-UMSFTDKQSA-N 584.713 7.370 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384548 MYCOPTDPTFZXLR-MUUNZHRXSA-N 571.948 6.404 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386369 JMFMLBYUJDGTIE-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101389645 HLCCCHYGPIWDOS-PMERELPUSA-N 554.549 6.380 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)oc2c1 101397550 PNEBKUSVBJDGED-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C(C)(C)C)cc1 101758704 ZXPFBVAFZOZINS-FDAWAROLSA-N 560.745 6.723 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC(=O)c1cccc2ccccc12 102263111 WBRPLIXELHQOQO-UYRXBGFRSA-N 550.920 7.285 50 10 KKGE CCCOc1ccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 102832639 HDDHXXMFDFFXKQ-NHYZDEDTSA-N 608.135 6.813 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1c(Cl)cccc1Cl 102933279 UILLBLOGXOABKK-YBEGLDIGSA-N 528.348 6.131 50 10 KKGE O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12 103627336 KAGCXHAPYQVXNU-RWPZCVJISA-N 534.366 5.619 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 103796160 UFOZHYGJVDZWKG-KKMKTNMSSA-N 546.190 6.440 50 10 KKGE Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 103881193 MIJLESZZTIXHCG-QXUDOOCXSA-N 530.628 6.631 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(F)cc1 103884244 SGEIRHNOSMSGQY-XQNSMLJCSA-N 564.455 5.822 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 104993644 ANELQJZXLZQHKJ-JRXWSOMVSA-N 553.638 7.364 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc4cc(Br)ccc4c3Br)cc2)cc1 150388932 JVIPPABWRXNDSR-UHFFFAOYSA-N 712.464 6.629 50 10 KKGE O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 163417695 FISGBGIMAXMEAU-DXZLVOTDSA-N 616.330 6.153 50 10 KKGE CCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2OC)cc1OC 207091553 WJRNJLIIJBUVLB-WALPORDISA-N 520.626 5.715 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214333629 GAEXJTZRFYMEOZ-NWUVQHAMSA-N 573.609 6.200 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Cl)cc1I 232253099 CLQLSSMMRVVMDK-UHFFFAOYSA-N 528.946 5.627 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc2ccccc2c1 254480487 SYGDESGKIHIJKM-UHFFFAOYSA-N 533.701 7.018 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1 254592834 ICBKJEQJPCCUAA-SBZMKKFNSA-N 555.078 6.269 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 254834378 GABXYKLOMHGYKC-UHFFFAOYSA-N 556.615 5.784 50 10 KKGE COc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 254849728 SYUGHZJNAXYHBC-UHFFFAOYSA-N 519.395 5.719 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@](O)(CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 306147462 ZAYSEZBMOHYFQA-UNQCCHGOSA-N 924.727 19.065 50 10 KKGE C=C1/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OCCCO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 504040580 DCCWLTTWSBJXFK-JSERUJEGSA-N 771.257 11.465 50 10 KKGE CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@@H](c2ccccc2)OC(=O)[C@H]1CC[C@H](O)CBr 504677310 KSKVPVAXSYPJEF-LNRXMEIDSA-N 504.421 5.168 50 10 KKGE C[C@@H](/C=C/[C@@H](C)C(C)(C)O[C@@H]1CCCCO1)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C 575232491 UOZXSNRXCCZFGF-XATIZNNSSA-N 729.292 13.171 50 10 KKGE C[C@@H](COCc1ccccc1)CC(CBr)(CBr)c1ccccc1Br 719438420 IZMKWLGVCVDHJR-MRXNPFEDSA-N 519.115 6.720 50 10 KKGE CC(=NNC(=O)CSCc1cc(C)cc(C)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725381726 YFOBRYOXDOMNJD-UFRMOSHKSA-N 513.682 7.043 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 725407014 XRKPBEDEWILADT-VWLOTQADSA-N 526.420 5.807 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](O)C=CC=C(C)C2 888086893 KVEGDZGBBWHXMS-ZSJPYIPFSA-N 981.584 5.188 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC 1082888918 UOUAPQXSDRAYLM-DWVPNOFWSA-N 698.870 10.070 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1083987621 SIOIWDKATHYPDY-SFTDATJTSA-N 603.657 5.938 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 1084056391 NTOKWDNEWVWXIT-VWLOTQADSA-N 624.359 7.096 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(CCOc3ccccc3)c3ccccc32)cc1 1084069375 NNKYUSDXTYHNOE-UHFFFAOYSA-N 533.628 5.337 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1084294010 UHCDRCBBCZLXBO-YBMJHBTDSA-N 641.186 12.671 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 1084312658 FAJOJHIXXQFIGR-UHFFFAOYSA-N 522.601 5.819 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084410881 NCOBOEKTWBEXNZ-XMMPIXPASA-N 671.757 6.649 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084641115 PQHMIMVSTWSLEQ-QFIPXVFZSA-N 570.698 6.952 50 10 KKGE CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1Cc2cc(Cl)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015107 KMSLITUDBMNVLO-IQIBAHNESA-N 648.969 5.755 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl 1772755242 WOFMEBVTYNLYLQ-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3cc(C)c(Cl)c(C)c3Br)cc2)cc1 1772756556 SXNQFEKGEHEYJE-UHFFFAOYSA-N 515.835 6.136 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865687483 SEUGQIIUWDPLIK-MHZLTWQESA-N 537.620 5.739 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688480 SPMUFLABHDIULD-DEOSSOPVSA-N 505.405 6.181 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865691577 VWQWNCBZJDURNV-SANMLTNESA-N 555.506 7.317 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cc(Br)ccc1O 1865696349 MDUOIGWDJAVELR-HNNXBMFYSA-N 556.136 5.340 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OC 1865696664 PWPIOQZAHBMWDN-MUUNZHRXSA-N 571.077 6.997 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865697102 XEVIAHBECOWOQQ-AREMUKBSSA-N 541.479 6.733 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OC 1865697130 NVBPFGYSFATDKX-DEOSSOPVSA-N 575.438 6.125 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697350 QIVYYJYNAJQKJY-GDLZYMKVSA-N 520.633 5.982 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865703077 MOOFXXQNWUDOHT-SSEXGKCCSA-N 542.614 6.843 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865703653 YBQWUPVWQFRBCG-SSEXGKCCSA-N 577.059 7.497 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704105 NITCFXIFPSSOKT-SANMLTNESA-N 572.974 7.495 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705342 SSSZXVYULHOILG-AREMUKBSSA-N 575.452 6.578 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865706046 MKEHSACZLTXPHL-IBGZPJMESA-N 504.761 5.911 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706897 IDVLLQIBYRKCNO-VWLOTQADSA-N 546.986 5.635 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)cc1 1867180781 WSLLYTGQLHKLDD-HHHXNRCGSA-N 510.619 5.824 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(c3nc(C)c(C)s3)CC2)n1 1868300554 FEZVPMIPZGDLTD-UHFFFAOYSA-N 512.708 7.226 50 10 KKGE COc1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)CC2 1868301141 LTPIUIWSCJOYKS-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413564 AUDJNMXDZHBAHZ-UHFFFAOYSA-N 521.049 7.665 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CCS2)cc1 1868433125 FKTFBGBJIMNUGC-VWLOTQADSA-N 546.121 7.417 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccc(Cl)c5)cs4)cc3C2=O)c1C 1872748144 KMXRHIZJBADJDF-LVWGJNHUSA-N 511.990 6.831 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 1872753865 QTZBFMDNKXANHC-OKPNVDCHSA-N 501.652 6.624 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OCC)c1 1872755210 CWLYUBSFYTXZSN-SGEDCAFJSA-N 512.631 7.222 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 1872758937 XMUKUJCUQGQASJ-LECRTAGSSA-N 508.043 6.443 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Cl 1923066343 OOWIGCBAEVLAMN-SECBINFHSA-N 528.318 7.979 50 10 KKGE O=C(N[C@@H](CC1(CCCC[C@@H]2CCSS2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952060123 OQOBAUOEYZVXGB-CLOONOSVSA-N 511.709 6.863 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccccc2I)cc1I 2053623331 RWORPWLOCGYBQS-UHFFFAOYSA-N 670.026 5.445 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2054325767 NMIFFCWRXGCURO-ZLTLRHDXSA-N 518.855 7.804 50 10 KKGE CCCCCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494100 KCQKHSGOJWXDHS-QMMMGPOBSA-N 570.783 8.143 50 10 KKGE Fc1cc(F)c([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 2122802883 TULVMHPTYYTXFG-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Cl)c1ccc(Br)cc1I 2142285593 RLTLPVDGXQTXPW-RMLUDKJBSA-N 515.414 6.295 50 10 KKGE CCOc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2148753618 XBGKARNPYUBNSY-CQSZACIVSA-N 527.876 6.857 50 10 KKGE COc1cc(F)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 2225636043 ZHZKQVYAIZKSHK-VIFPVBQESA-N 537.868 6.668 50 10 KKGE Cc1ccc(I)c(-n2c(CCl)nc3cc(I)ccc32)c1 2240627719 VJNONJHXRWJIJO-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(C)ccc2I)cc1Br 2240995474 HNLSYMIQWPLYFF-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2csc(Br)c2)c1 2252834555 JWZGDFZSTRXOFH-LLVKDONJSA-N 503.879 6.714 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1I 2256339820 XVTAZYMECNJILD-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)c(F)c1Cl 2282895735 BBWBBOCXFOKHTI-LLVKDONJSA-N 540.342 6.609 50 10 KKGE COc1ccc([C@H](Br)c2ccc(OC)c(I)c2)c(Br)c1 2285010505 OMSWYYZQZSYFOW-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198318 UGBRJCMTWCPRPX-DEOSSOPVSA-N 522.457 6.045 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293202203 WEWVJBQQKMKWSA-UHFFFAOYSA-N 564.892 7.274 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(Br)c(Br)c1O 2294638490 RTBZIAXPOREBLS-UHFFFAOYSA-N 530.998 5.234 50 10 KKGE CS(=O)(=O)c1cscc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295333585 LPBIHCBVWMFEAR-LBPRGKRZSA-N 503.075 5.355 50 10 KKGE N#CC(=CNc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295937278 LMSQRSMGKGWDGU-UHFFFAOYSA-N 586.345 6.781 50 10 KKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296507220 YUTRFSWAZHGHHB-QHCPKHFHSA-N 522.457 6.675 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)NC1CCCC1 2313681253 YHMZPOHNVQDZIP-UHFFFAOYSA-N 504.222 5.756 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592174 NHLQJKVGBRFHNX-GDLZYMKVSA-N 523.702 7.019 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593712 RSVUTOVYWVVQPP-DEOSSOPVSA-N 504.011 5.091 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314611656 YQKPVTKJYMQFDF-UHFFFAOYSA-N 526.596 5.897 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314617876 CGJMFZIPTRUFBW-HHHXNRCGSA-N 550.659 5.654 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314618812 UTGIICBDXOVCCF-AREMUKBSSA-N 570.693 7.236 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 2314621113 ZAFXOKTVMGRSAE-UHFFFAOYSA-N 586.692 6.480 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314647017 YYBGTKWJPUPYGO-LJAQVGFWSA-N 646.769 5.943 50 10 KKGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2331311810 AQBOIFVVVBIXIC-UHFFFAOYSA-N 501.307 5.114 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1C 2331403791 JPKAHAYVKBNLBN-UHFFFAOYSA-N 511.559 5.775 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 2331424672 DVFFQACSOOTPBX-UHFFFAOYSA-N 510.240 7.351 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)cc3)n2)c(OC)cc1Cl 2331471161 RZZRVVMDDQPMES-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2335355628 JAUFHRUJCAFTDW-NSHDSACASA-N 511.863 7.512 50 10 KKGE Cc1c(F)ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2338765192 IYUVGEAVMZVLLO-QMMMGPOBSA-N 511.863 7.512 50 10 KKGE Brc1cc(CO[C@@H]2C[C@H](Br)C23CCCCC3)ccc1I 2377596626 YPMBUJVLYDUKQT-LSDHHAIUSA-N 514.039 6.057 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 935349 NBLAPFZYMGEWCK-GUNDDFSMSA-N 532.463 5.234 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1 1790144 RORBHVQZGPPQFT-GPSDDGMOSA-N 536.426 5.962 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(Br)c1OCc1ccccc1Cl 2946099 PGCZZSDVKDQJFS-RPPGKUMJSA-N 519.827 5.475 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1)c1cccc(Br)c1 3089156 OADFQISZUHRCSX-JFLMPSFJSA-N 518.323 5.494 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665606 WOHHBXZFDUBOJD-UHFFFAOYSA-N 511.416 5.180 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 38650905 UJQQCCZXDHMWGR-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655488 UZCZBRTWLMTGID-AREMUKBSSA-N 523.416 6.493 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 40924838 XILJPLYPASGHEN-CCVNUDIWSA-N 508.068 6.593 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C)cc1 40947776 WPRTZFADGVCHCA-LQKURTRISA-N 518.664 5.734 50 10 KKGE Cc1ccc(C2=CS/C(=C(/C#N)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)N2c2cccc(Cl)c2)cc1 97956398 HOFPYHMGMDPWLR-COOPMVRXSA-N 535.113 6.042 50 10 KKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 98063427 PSBYARFHUXYVRW-BOPFTXTBSA-N 514.334 7.561 50 10 KKGE O=C(NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 100207423 JCUXALNULPFDFW-UHFFFAOYSA-N 623.573 5.539 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)CCc1ccccc1Cl 100283597 KDSVSWQPEFTVAG-UHFFFAOYSA-N 599.732 5.052 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1Br 100311240 UMKNSOPXTAQYIO-WOJGMQOQSA-N 548.275 6.155 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(Br)c1O 100328877 DUZOWZZWTOFDRH-WKIKZPBSSA-N 572.872 5.307 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335487 UVHNZXKOJCHWFM-RGVLZGJSSA-N 583.382 5.950 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 100477828 AJFHTVWXGDXRSJ-AJBULDERSA-N 531.528 6.392 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 101002645 WQMPPJKQBRPVJZ-VTNSRFBWSA-N 566.054 6.710 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 101012046 QZEUGMCIEJFMDX-OOAXWGSJSA-N 540.623 7.063 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065544 WBWNEGVKPCBSBL-MTDXEUNCSA-N 535.225 6.380 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 101245561 UPWJOLSDYGNHJG-HFVAWESISA-N 549.618 7.202 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246156 MCDFPYALUGGFGB-NLTRVXJZSA-N 538.456 6.375 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101341028 UWCHXVPWNVBHRE-UXHLAJHPSA-N 590.611 5.413 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 101372198 ZXCIDLRZZAPHFA-WJOKGBTCSA-N 556.659 6.474 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381223 DOUDICLEQHOZTD-MGBGTMOVSA-N 629.540 8.579 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383675 CHIMQCOHEMXGJY-ICFJDMLASA-N 552.989 6.895 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384111 KPQZPHCUXRSFMR-UBOVMPNESA-N 552.989 6.895 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385908 OAOQXMIAFCNWJF-GSTQUKTASA-N 611.094 7.081 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)c(OC)c1 101386899 KCIAYUYPWRASFW-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 101395370 VCKQJBXEAFYXJV-LJAQVGFWSA-N 538.600 6.756 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)cc1Cl 101396678 WTCZNJHQXVCEOC-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 101702175 AMUJPOFFFHCAKP-UBCTUXONSA-N 594.664 6.764 50 10 KKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1cc(Cl)ccc1OCc1cccc2ccccc12 103563576 HHTKNEOZILSLJY-SSEXGKCCSA-N 555.037 7.834 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Br)cc1 103755130 UJQWEHXULPGLAM-RGVLZGJSSA-N 570.281 6.962 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C)c1 103796332 JRLJQLAONVQSMO-XICOUIIWSA-N 544.655 6.719 50 10 KKGE Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=N/NC(=O)c5cccc6ccccc56)cc4[N+](=O)[O-])sc3c2)cc1 103806470 RHGYYMZFFDJBMD-ALQBTCKLSA-N 617.712 7.834 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12 103878818 VGZPDYJLKXMSPD-JRZNSJKLSA-N 600.118 8.611 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2 103884076 RZRPKWAKSNCOMK-OEAKJJBVSA-N 590.474 5.411 50 10 KKGE N#C/C(C(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12)=C1\Nc2ccccc2S1 103908279 BQLCCZCAFYBCSM-QNGOZBTKSA-N 537.489 6.735 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc(Br)sc1Br 122336502 BIRJBMXHXZRJIM-SNVBAGLBSA-N 525.832 6.798 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)c(Br)s1 125677758 VFXNGOHPXVELKK-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(N(C)C)ccc4c2CCCC4)CCCC3)c1 135823209 LVHGHRLHIRQNFH-UHFFFAOYSA-N 545.751 8.169 50 10 KKGE O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 164637605 HUMAQGJOAMIQJV-KKMKTNMSSA-N 619.209 5.841 50 10 KKGE O=C1c2ccccc2C(=O)c2cc(C(Br)Br)c(C(Br)Br)cc21 196084979 BDHAMRXASFYEKK-UHFFFAOYSA-N 551.854 6.039 50 10 KKGE Cc1ccc(C2=C(C#N)[C@@H](N[C@H]3C(C#N)=C(c4ccc(C)cc4)Oc4ccccc43)c3ccccc3O2)cc1 206895398 VDCPZVGETQUDHY-MEKGRNQZSA-N 507.593 7.330 50 10 KKGE O=C(COc1ccc2ccccc2c1)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 245283963 PIHUBEQJKMIPAB-HKKPOQTRSA-N 502.014 5.438 50 10 KKGE CO[C@]1(CBr)O[C@H](COC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccc(C)cc1 252438216 CZFCSSKUAJZSPB-KUYWTNKVSA-N 611.485 5.356 50 10 KKGE CC[C@@H](Oc1cccc(Br)c1)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 252623163 OLJIKHZFTMBSOI-XMMPIXPASA-N 503.400 5.610 50 10 KKGE CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498441 JTGHSJQVBHQKPC-ZLESFDFASA-N 700.725 12.051 50 10 KKGE biogenic CCCCN(CCCC)C[C@H](C(C)=NNC(=O)Cc1ccccc1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254383827 MNQLFXZDYAYTFH-NDKRRWIDSA-N 581.757 6.884 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254706515 YSBOFYANZZHOTH-UHFFFAOYSA-N 514.611 5.382 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254762734 KRHQPWJGMJEKRA-UHFFFAOYSA-N 559.692 5.587 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@H]5Br)C6(C)C)cccc34)CC[C@@]1(C(Br)Br)[C@H]2Br 256020007 RCRTTZNKYHHGPD-BHVWZURDSA-N 932.022 10.088 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@H](Br)C23CCCC3)c(I)c1 311435366 SRWBUQOVXSFVRV-NWDGAFQWSA-N 567.430 6.024 50 10 KKGE Clc1cc(I)c(Oc2ccc(CBr)cc2Br)c(I)c1 382319097 UMVNCKNOIJQYMC-UHFFFAOYSA-N 628.267 6.999 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Br)ccc2Br)C1 382698453 ZAOSNEUWWMKKTK-GXFFZTMASA-N 545.053 5.597 50 10 KKGE CC(=O)O[C@@H](COCc1ccccc1)Cc1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1 504225740 DXIFZLBGTIORQL-AREMUKBSSA-N 544.881 8.146 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 504786834 BCNXKLAHNOFABR-NVFDPLPCSA-N 621.035 11.254 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)c1 616584745 CEOZSDMCGIVDAY-MHZLTWQESA-N 525.926 8.615 50 10 KKGE O=[N+]([O-])c1ccccc1C[C@H](Br)c1ccc(I)c(Br)c1 721572803 MZXICQXLSPJBMP-NSHDSACASA-N 510.951 5.641 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(C)c(Cl)c4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725425239 YOIUZSQZUSMHMN-IJXWMGFQSA-N 683.230 6.997 50 10 KKGE CC(C)(C)C(=O)O[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817714 YXADDVIQROVGOJ-FADBTOOJSA-N 630.892 6.196 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1 1083936141 VJJPFBWQZMYSQY-JJIBRWJFSA-N 516.439 5.592 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)c3cccc(C(F)(F)F)c3)c2C)sc2c1CCCC2 1083946860 BBAUXDGIKAUZHD-UHFFFAOYSA-N 517.573 5.994 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 1083990387 MYDHYCOCBWXJQT-RTBURBONSA-N 601.666 5.505 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084193145 GPKPEAMRDBQFEG-UHFFFAOYSA-N 621.115 5.102 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 1084302029 XVFVJEGNRWOADM-KOEQRZSOSA-N 506.562 5.649 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc2ccccc12 1084348345 NUWXUNAOXBDFKW-UHFFFAOYSA-N 654.608 9.440 50 10 KKGE Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4[N+](=O)[O-])o3)[nH]c2c1 1084381716 HQTKLACLHWLBRP-WSDLNYQXSA-N 504.590 7.572 50 10 KKGE COc1ccc2cc([C@H](C)C(=O)NN=Cc3ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(OC)c3)ccc2c1 1084491001 JGISOROOEXEBOZ-KRWDZBQOSA-N 561.978 5.892 50 10 KKGE CN(C(=O)c1cccc(F)c1)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088669587 YCSALEPKJDEWCF-NRFANRHFSA-N 518.442 5.086 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)COc3ccc(Cl)cc3Cl)CCC4)ccc21 1772749882 QWDDUDJXKBGNHW-UHFFFAOYSA-N 603.506 7.511 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1F 1772755222 VDJCNNBPFHJQJG-UHFFFAOYSA-N 507.612 5.779 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)ccc1O 1865680997 BZZOYKXVQMCNEH-VWLOTQADSA-N 528.996 5.583 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684812 ZBOKGZRKHYQJJV-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687880 CJTUNOJHRFODDO-HHHXNRCGSA-N 535.003 6.581 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865692574 NHQJVOXDJXDKTQ-QHCPKHFHSA-N 541.421 5.547 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694894 FDMYDYNYHMFMMK-AREMUKBSSA-N 531.443 6.929 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865696831 RDXGZQDLGPSGGU-SANMLTNESA-N 502.615 5.629 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697402 RMAKSHRVJHNMCR-MUUNZHRXSA-N 520.633 6.198 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865702904 HYACPRYRIBHZFD-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705248 PINAQEWXIUSENO-AREMUKBSSA-N 561.425 6.242 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866756953 QLLACPRRXGABJD-VPUSJEBWSA-N 521.633 6.342 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@@H](C(=O)Nc4ccc(SC#N)cc4)c4ccccc4)ccc3o2)cc1 1866880660 NELDUPRXSOVBEZ-HHHXNRCGSA-N 518.598 6.486 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1868253771 SMJUVXMVYFCUIK-QFIPXVFZSA-N 503.628 5.151 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccccc3Cl)n2)cc1 1868414969 RRSUEPNJMQHLRI-XMMPIXPASA-N 528.085 7.057 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872744724 FWUNQSCDFSTCFR-RFBIWTDZSA-N 505.599 6.903 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1F 1872752877 XJIVARIDEGOQNS-GFMRDNFCSA-N 515.497 5.847 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1Cl 1872756516 NJCKYITVQWAFPO-PWHQALQLSA-N 514.987 6.013 50 10 KKGE COc1cc([C@H](Cl)c2c(Br)sc(Br)c2Cl)ccc1Br 1876919655 WPRLFKPZRHWYEG-VIFPVBQESA-N 509.872 7.026 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 1912969924 AYSJCCISBVDUMN-ZETCQYMHSA-N 510.896 6.285 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc(Br)o1 1923071895 LRWUDSACMXOCMM-LURJTMIESA-N 514.258 6.766 50 10 KKGE FC(F)Oc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923073536 XVGYFJSLIRGFFU-MRVPVSSYSA-N 511.407 7.012 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCO2)c1Br 2025779287 FNGONIMKRHAGJK-HQJQHLMTSA-N 556.712 6.352 50 10 KKGE Cc1c(Br)cnc2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2065283428 CPCNHZAETZDMDG-FQEVSTJZSA-N 511.895 6.895 50 10 KKGE C[C@@H]1CCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496615 XFJJNNBMLNLALE-OPVBNTEQSA-N 568.767 7.609 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499926 LIMLREOJYLZNLU-NOWQDGDBSA-N 582.672 7.371 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2Br)ccc1I 2086040014 SJTJREJTFOQGRS-CQSZACIVSA-N 544.850 6.609 50 10 KKGE CCCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Br 2141469480 AUTANRWMKOGRQM-NFNXHLSSSA-N 583.782 6.561 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC23CCCC3)c1Br 2141473120 LLIARKDGSIJINX-CPCISQLKSA-N 580.778 7.753 50 10 KKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1ccc(Br)cc1I 2142277089 LKWGPQWWSDEILP-ZDUSSCGKSA-N 532.466 7.083 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)cc1C 2236019738 NQXWJGGYMBFLME-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2288344796 NTWCGNIJSOXYGU-LLVKDONJSA-N 537.793 6.876 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293131230 LWXLUYUMUIDPNS-UHFFFAOYSA-N 659.055 5.945 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1cc(I)ccc1F 2295278633 DXDHAYKBEUZZTG-CYBMUJFWSA-N 534.388 6.339 50 10 KKGE CCOc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2295998934 KSNZDNXMLBNALV-DEOSSOPVSA-N 504.011 5.804 50 10 KKGE N#CC(=CNc1cc(Cl)ccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297452952 VRIYHYVXVSVZGF-UHFFFAOYSA-N 519.207 6.962 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1F 2297552078 WRAGRJVUDDADOK-UHFFFAOYSA-N 532.527 5.734 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1F 2313567730 NOHOOMHUKACNJJ-UHFFFAOYSA-N 511.597 5.398 50 10 KKGE Cc1nn(C)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314490744 LHCOPWPNOFHOBZ-GOSISDBHSA-N 529.070 6.317 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594016 XMKVRZNUAJYGAX-SKCUWOTOSA-N 509.675 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314610149 DBIYNDDPDFSVDF-NRFANRHFSA-N 526.596 5.655 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 2314640703 PAMIQHSOSSEBPT-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)NC4CCCCCCCCCCC4)cc3)sc2c1 2325481538 HURFEOQFEGVTAB-UHFFFAOYSA-N 500.712 7.881 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c(OCC)c1 2331386656 XGOVLXJAYPNKBW-AZUAARDMSA-N 503.624 6.010 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336050364 KDPOQCYJEIBRPA-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CCCCCC[C@@H]32)c1Br 2354882587 LNFSNZAXUKURHB-GMOBBJLQSA-N 549.992 8.078 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)c1Br 2362225711 QZINCDPNMWDSAG-LLVKDONJSA-N 662.154 7.856 50 10 KKGE COc1ccc(CCO[C@@]2(CI)CCCN(C(=O)OC(C)(C)C)C2)c(Br)c1 2364693832 SAFPGPACKLXXLM-HXUWFJFHSA-N 554.263 5.222 50 10 KKGE Cc1ccc([C@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1I 2365193487 IOCZOZXSLRIVAO-ZDUSSCGKSA-N 576.867 7.056 50 10 KKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2380890501 XKRYWBFHPPCGMB-QWMRMABFSA-N 564.259 7.605 50 10 KKGE C=CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2553628 FMKADRYKUQBVAP-BOPFTXTBSA-N 548.384 6.626 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 2672319 JHMZARPUYSQEID-GFMRDNFCSA-N 506.606 6.663 50 10 KKGE C/C(=N\NC(=O)COc1ccc(Br)cc1Br)c1ccc(-c2ccccc2)cc1 12584131 ZHSGXODAWIEXKL-MFKUBSTISA-N 502.206 5.798 50 10 KKGE Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccc(Cl)cc3Cl)nc12 33588015 ISTSXBACWVJQAP-FOWTUZBSSA-N 502.361 6.053 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)c1 38651524 NBTXOCIIVOMKIW-VWLOTQADSA-N 505.368 5.269 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OCC 38683767 VWXGDDNYCCHPCF-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812980 ODQWPMRMOAFIHU-OVVQPSECSA-N 501.326 5.526 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1Cl 40822641 QVRSBCXNLVYELM-INKHBPHZSA-N 512.009 6.940 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)CCCOc2ccc(Cl)cc2Cl)c(Br)c1 100030720 ZMAXVWJALLJSJF-UHFFFAOYSA-N 591.355 5.313 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 100154575 ASJBRBBDEWYVGW-FQEVSTJZSA-N 507.656 5.292 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3)cc2Br)cc1 100233756 IBFDNEUIKLMNAQ-TZMKENEKSA-N 555.469 5.789 50 10 KKGE CC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100921900 RQZQGTLBNZHIKM-DOPJRALCSA-N 522.075 5.514 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)NCc1ccccc1 101012389 MRZMEUVWCSNWFM-IMRQLAEWSA-N 545.042 6.995 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241242 GQYDXNOADOIUMX-NNHPPCHPSA-N 552.483 6.135 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 101245550 LLVNUGSRGABLJJ-VBGHIBASSA-N 550.511 7.490 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 101367315 DKZHRIRLUIYHQS-HKBQPEDESA-N 603.458 6.784 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369484 PRZOZVBLOFPAHI-UUWRZZSWSA-N 550.614 7.435 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1 101377717 NAEMUFJHOQNJBF-SSEXGKCCSA-N 557.603 6.147 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1F 101386936 CVOPUSOUWXIQGB-PSXMRANNSA-N 612.657 7.369 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101390891 PMKCXEGVIYOFQE-SSEXGKCCSA-N 542.547 5.809 50 10 KKGE O=C(NNc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1Br 101491487 WDFLQEKAXSHUAS-UHFFFAOYSA-N 519.359 5.106 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 101727538 IHOLPGDEFRHGGH-WKULSOCRSA-N 538.094 6.684 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCC#N 103880818 FDPOSNYGIOEPLA-BHGWPJFGSA-N 521.165 5.023 50 10 KKGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 104769241 RWSUCSNQSORISL-IWBSIUBASA-N 533.701 6.618 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1CSc1ccccn1 105064938 RVNDUBQQYXGBHR-KPGMTVGESA-N 552.483 7.032 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccccc2I)cc1OC 109860303 DYGBRRNSKGCXOB-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)n3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400756 CKDJYEUJHHCDQS-LIXHWFRBSA-N 882.950 8.330 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)cc2)cc1 150417618 QNPXJRAPZTYSDH-DBMXBCQFSA-N 636.712 6.336 50 10 KKGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 159253461 SYYJGEMJZYLOOB-YXDOVTIUSA-N 729.649 6.055 50 10 KKGE O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NNC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 164142349 GJLOTBHMVXKTHK-UHFFFAOYSA-N 737.863 8.615 50 10 KKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206507909 RCCNUVGGGDKCSS-SVLFPQEESA-N 526.589 5.335 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 214304611 RUDWZVQZNPCRRE-USHMODERSA-N 552.675 6.044 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253574014 SBSNOCQHTYUUFR-FGBYCOAUSA-N 583.766 5.192 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 254408179 NIMFYLRNTYXYCG-UHFFFAOYSA-N 648.723 6.768 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12 254492697 INLLVYWNFWCQAP-UHFFFAOYSA-N 601.788 7.725 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CBr)CC[C@]4(C)[C@@H]3CC[C@@]12C 254511169 VJBCNYHZXKGYLM-HYMDRBFZSA-N 509.613 8.414 50 10 KKGE CCCN1C(=O)C(=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2cc(Br)ccc21 254791263 DOTUXUDUDSHZAD-UHFFFAOYSA-N 528.491 5.819 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4/c(=N/C(=O)CCl)n(C)cnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 616588195 XICJHXGQSVCKJN-UTDFMZEHSA-N 944.587 9.402 50 10 KKGE Brc1cc([C@@H](Br)c2csc3c(Br)cccc23)ccc1I 721589928 VPFKQJCCIODDSS-CQSZACIVSA-N 586.912 7.515 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 1082591758 BTWRLONRLCBMRK-GDLZYMKVSA-N 523.036 6.533 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1083965214 DYOOWZSBMQKZSW-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084015433 ZZXKCYNWYGSMPV-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084026577 OORVVUJRYBLNCO-UHFFFAOYSA-N 598.725 5.283 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1F 1084113967 IZGSGMONLSAJNV-UHFFFAOYSA-N 531.765 6.339 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084133237 PLWMWULCYUHJQO-UHFFFAOYSA-N 577.625 5.547 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084211520 JDRZJFLNYTUIBZ-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3cc(Cl)ccc3C)o2)cc1 1084387212 DYMHVDWRQZOOJO-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 1084404838 IBAHEWJCRRJEQY-RUZDIDTESA-N 573.459 5.929 50 10 KKGE CCCNC(=O)CN1C(=O)C(=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc21 1084436939 YKWRJUQCTPPYLY-UHFFFAOYSA-N 582.724 5.439 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1084567136 UNEOQXBQPSFLJE-FYJGNVAPSA-N 552.414 7.153 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 1084653161 WIJOVPRTBMADFS-UHFFFAOYSA-N 502.954 5.640 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCCCC(=O)NN=C1C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 1772720233 GDJZFURDNVBDFU-UHFFFAOYSA-N 614.791 5.380 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1cc(O)c2c(=O)c(OCc3ccccc3)c(-c3ccc4c(c3)OC(c3ccccc3)(c3ccccc3)O4)oc2c1 1848438822 GJEHQIZMOIVJNE-UHFFFAOYSA-N 670.834 9.801 50 10 KKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865684119 UBKMDSSHRQGLFI-QHCPKHFHSA-N 502.405 6.130 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865689884 FUHJJIJSLQLLAD-HHHXNRCGSA-N 575.496 7.311 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865694090 UHNAIQJNHMNVGI-RUZDIDTESA-N 510.569 5.753 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OC 1865695703 RNGYYGKYRBXKTG-SANMLTNESA-N 526.568 5.372 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865703656 YIBQEWMEQQHHJF-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704133 OEJWVFACXUWASP-MHZLTWQESA-N 579.459 6.745 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865707333 URHLZAWWYUMWRS-VWLOTQADSA-N 564.011 6.848 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)/C=C(/c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866695583 ZSOGSRVERJQGAW-KGLTUOCLSA-N 553.684 5.962 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866759638 FCPXITKHXRZFGM-AHKZPQOWSA-N 503.643 6.203 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866983570 SKXHSHJFYORENA-SQHAQQRYSA-N 535.641 5.522 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)Cc1ccccc1I 1915287629 ASJZEKUUUAFUAX-LJQANCHMSA-N 500.218 5.282 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(I)c(Br)c2)c1Br 1922894717 NUFKJNYYMSZEJC-SNVBAGLBSA-N 585.324 7.277 50 10 KKGE COc1cc(Br)ccc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923066845 VWEOVEMDRCEWGZ-VIFPVBQESA-N 509.872 7.026 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC2CCCCC2)c1Br 1924584228 VHZQASKEMLKDAL-MRVPVSSYSA-N 509.927 7.442 50 10 KKGE Cl[C@H](c1scc(Br)c1Br)c1c(Br)sc(Br)c1Br 1924612796 NUUWEJXLABJHCT-LURJTMIESA-N 609.222 7.950 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCOC1 2025783962 XXNFRIXNAFRCLW-DYEAUMGKSA-N 512.261 6.053 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(I)sn1 2056487872 PJAISXRVMASFJD-GFCCVEGCSA-N 502.997 5.312 50 10 KKGE CN([C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12)[S@@](=O)C(C)(C)C 2080746025 ZAOBJUBMZVUTAS-XLWWBGEVSA-N 535.693 7.081 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(Br)c1 2086139140 KZXFBIOXVRUMFM-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE COC1(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141469794 CEFUQIXGARQCMT-VIFPVBQESA-N 584.766 7.132 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12CC(CCO1)C2 2141470823 LCNYNRQWSZQARO-SKPUXYCPSA-N 538.299 6.586 50 10 KKGE CCCC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141473791 TVRVAHUPOKONOH-ZDUSSCGKSA-N 582.794 8.143 50 10 KKGE CCC(CC)N(CCBr)C(=O)c1ccc(Br)cc1I 2142284518 DJEOGPNQPFHGAV-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE O=C(NC[C@H]1CCCC[C@@H](Br)C1)c1cc(Br)ccc1I 2163744926 CEWJVTKWVDLDBP-WDEREUQCSA-N 515.027 5.127 50 10 KKGE C[C@H]1OC2(C)CC1([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206396319 VKKJPDXNXPNNNV-BBHOERDKSA-N 552.326 6.974 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2Br)c(C)c1Br 2235601588 AQQCDBPGOIOMLM-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Cl)cccc2Br)c(C)c1Br 2235605327 RFUDKEQVZOFAET-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Brc1coc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2244207518 FKEHZGVHVVSRAB-ZCFIWIBFSA-N 558.709 6.875 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)c(Br)s2)c1 2263447163 WUPLVNBETNEHMU-SECBINFHSA-N 582.775 7.477 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1Br 2288346495 YQYGTAYCBQEZKY-NSHDSACASA-N 554.248 7.390 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 2293202116 FBRIWUSWHXRPRS-UHFFFAOYSA-N 578.056 7.919 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2296500378 MUKZOJSVLQOFDV-JOCHJYFZSA-N 504.409 5.514 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cnsc1Br 2300302561 CFSFEDYEBURTIW-SECBINFHSA-N 508.830 6.054 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1 2313519058 ZQDDWHRTPTVESW-UHFFFAOYSA-N 590.699 7.388 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567483 KAQVNZDGPQETPM-UHFFFAOYSA-N 646.298 6.028 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 2313568950 ZNVYBWYDJFEIHP-UHFFFAOYSA-N 623.288 7.640 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)c1 2314531696 CUYTZKAAZCYMPH-UHFFFAOYSA-N 519.388 6.265 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591782 DUEKCCTXXXVUCQ-XMMPIXPASA-N 536.484 7.182 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592806 CASBJHYPOPXVHH-XMMPIXPASA-N 522.457 6.621 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1Cl 2314618042 GFDWUUOTUIHGKD-UHFFFAOYSA-N 545.039 5.610 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCCC(C)C 2314634315 BQECMLWCFGVMDU-PMERELPUSA-N 510.590 5.957 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 2314634742 DVVRUUGSYZGJLK-LJAQVGFWSA-N 565.453 6.874 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OCC 2314634757 GTPGSSHUSLFYEQ-HKBQPEDESA-N 524.617 6.491 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2316178215 MRWHGXWAQXIXAD-LLVKDONJSA-N 537.962 7.534 50 10 KKGE N#CC(=CNc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2318455318 RAIXGZNSFABBMX-UHFFFAOYSA-N 501.974 5.001 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3ccc(Cl)cc3)sc2c1 2329654428 GYLUYSGSKBIMDO-UHFFFAOYSA-N 503.049 5.306 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)nc2c1 2331046528 NFLCAWIRUMKFJM-WJOKGBTCSA-N 551.606 6.542 50 10 KKGE COC[C@@H]1CC[C@@H](Cc2ccc(I)c(Br)c2)C[C@H]1Br 2349807631 JJRPVKMBBRIPPI-WCFLWFBJSA-N 502.028 5.422 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)cc(Br)c2)c1Br 2362252296 REORXDSEZVBVBE-GFCCVEGCSA-N 570.703 7.857 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccc(Br)cc1 12600450 BHNHNQNLWZTTQF-LDADJPATSA-N 508.328 5.491 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 29492352 CPOXJGZKAIDLAS-YOAKOGDNSA-N 513.557 6.496 50 10 KKGE Cc1ccccc1/N=C(O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 33915828 TYCANXIUXOVPSN-CTHAODRQSA-N 518.436 6.472 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655570 FMDQMCNMILMWJD-AREMUKBSSA-N 509.389 6.319 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 40514525 WZTFTAGVQGYHFB-WPWMEQJKSA-N 506.606 5.781 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 58894793 HSIRUGZQEMWTNO-FLKJSLTKSA-N 524.448 6.359 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)S(=O)(=O)c1ccc(Cl)cc1 96792423 ITVKXOZFQOALLV-UCQKPKSFSA-N 513.962 5.637 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 100235789 OXBWSZXFGTVZPY-PCYMAAINSA-N 580.306 6.698 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(I)c2)cc1 100237859 FRNMXMNREHIDIX-ABZYITTCSA-N 576.406 5.372 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241389 VDOXAVRMWYGDPF-IDJUBOEBSA-N 570.036 6.718 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101314702 KGLPSYLVJCTHSJ-HSZRJFAPSA-N 549.435 7.210 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101337083 ORPSLXOMABQTRY-GPTKXHSTSA-N 605.094 6.543 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101337489 LUNFCANRPYCXQH-AUEUWSLNSA-N 559.582 5.810 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 101363819 JGONOCLOSVHBTC-AREMUKBSSA-N 533.422 6.455 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101375106 PCONARKNBSIVIG-XIFFEERXSA-N 584.713 7.010 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCCC(C)C 101375227 ILVMVCJORHQANY-NDEPHWFRSA-N 543.576 5.856 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OC 101375278 CEGRAQWWGCMVKW-GDLZYMKVSA-N 547.051 7.135 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379372 ZAZINPAVQDLMGI-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381102 YVBYKVOGORYVQN-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381333 PYASFPQGNFVSPU-YTTGMZPUSA-N 601.486 7.337 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386133 ZIXPBUAHDNIUHT-GDLZYMKVSA-N 607.877 7.672 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387234 ANXYTVIFHQVWLE-FZYZMVIOSA-N 584.575 6.143 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101388795 GOHPROPVBOJZNW-MGBGTMOVSA-N 592.667 7.538 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101395705 BPCLOGDWTAODLT-YTTGMZPUSA-N 580.681 7.709 50 10 KKGE CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(C(F)(F)F)c1 102348557 AIXFBSVAUFTFJT-UNOMPAQXSA-N 537.420 7.285 50 10 KKGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1[N+](=O)[O-] 102739202 KRYFZGLHYKFDDY-VSPBFFAOSA-N 576.996 5.215 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 103796897 NHYPJYLLBXJLTH-HNSNBQBZSA-N 552.034 7.186 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 103876951 ZKWCQNSUFGASNM-FADJLKOXSA-N 574.637 7.103 50 10 KKGE Cc1sc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C#N)c1C 103877545 YDQPVZXOLUSGTA-ALQBTCKLSA-N 531.685 7.174 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 104032791 CZDVKLBFZNHQKC-AJBULDERSA-N 575.553 7.904 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 105049435 MFASGSSZHDHVPW-BOPFTXTBSA-N 532.221 6.889 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 105566678 MSEYIJNTDBGTFT-JVCXMKTPSA-N 524.627 6.798 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 105590284 QQMPLQKIWGFOCH-VTNSRFBWSA-N 541.080 6.278 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C\c2ccccc2)cc1 105626924 PHLSYJZAIFLWIW-NWDJXXRBSA-N 548.437 5.816 50 10 KKGE CCCCC[C@@H](Cl)C(=O)S[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920721 OUFIJZVLVZAQTQ-WMEBLMNJSA-N 549.349 10.844 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCC(C)C 150420234 ZXCUOHUOCQIKOD-UHFFFAOYSA-N 652.203 5.032 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433020 GINWTBLWFZBDFW-MGBGTMOVSA-N 665.957 8.136 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485364 DBUAPDQSDIOZNC-JGCGQSQUSA-N 631.512 7.807 50 10 KKGE C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cl)c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 169678865 ANKMRGNSZGYTEK-BQQUOAEZSA-N 553.490 5.112 50 10 KKGE COC(=O)C[C@H](CC(=O)/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C 196705006 MQGVAZIDAZIVGR-TVXVBNPNSA-N 607.821 5.728 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)cc1 205782690 AOFMLYBWJOMRHU-ACCIWSMYSA-N 746.845 7.197 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1CCc1ccccc1 206430372 ILDDJICNYZPTPN-BWAHOGKJSA-N 506.558 5.516 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 214346891 VCMKFWRMMBLSJG-VAMRJTSQSA-N 556.666 6.553 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)c(C)c3)C2=O)cc1OC 214370371 SKMSSKKEPOESMT-XSVYLIDLSA-N 664.762 7.279 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 214376173 FOCSVRQONIRUQR-YUMHPJSZSA-N 529.556 5.548 50 10 KKGE COc1ccc(C=NNC(=O)c2csc3c2CCCC3)cc1CSc1nc(C)cc(C(F)F)n1 252627992 SFTBIQBIADMTQJ-UHFFFAOYSA-N 502.612 5.728 50 10 KKGE CCn1c(SCC(=O)NN=Cc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(OC)c(OC)c1 254307972 HZFNHZHEVLTJLE-UHFFFAOYSA-N 542.665 5.352 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 254514944 QZUQPWUOYDBDLN-UHFFFAOYSA-N 551.676 5.460 50 10 KKGE CCCCCOc1ccc(O[C@H](C)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 254567840 ZEYOFHVBNKHVTB-OAQYLSRUSA-N 539.470 6.515 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N 254697185 MCUZMLOKJNEBTQ-UHFFFAOYSA-N 671.701 7.578 50 10 KKGE COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019016 GKAMHZCZQPLVFM-JEBQAFNWSA-N 524.091 5.628 50 10 KKGE C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N/NC(=O)c5ccncc5)CC[C@@]43C)[C@H]1CC/C2=N/NC(=O)c1ccncc1 504372745 ZYEHQFGKBKGWDM-QHVQCYMDSA-N 524.669 5.311 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(=O)OC)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 575232249 OWGWSEUEDPLMHW-GVVKGDBLSA-N 645.130 11.166 50 10 KKGE N=c1ccccn1/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 585660825 LAFIFOIPBKFEDO-OWRNPZEQSA-O 500.562 5.148 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591132 WUWBJKZWDLYUSB-YSLHKSLUSA-N 684.943 5.808 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Br)c3ccc(I)cc3)c2O1 720054227 UBSJXNFZOMJRSX-RFAUZJTJSA-N 507.991 5.861 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725412441 LJFABHJUKTWBQQ-UHFFFAOYSA-N 531.487 6.723 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Br)c3)c2C)c(C)c1 725443172 OEBHQZUTKWIAAQ-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1084266675 KXESTIPALDFEEO-LJAQVGFWSA-N 526.633 6.180 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2ccccc2o1 1084277717 DFECDWPZCNZTMI-UHFFFAOYSA-N 562.645 6.954 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1 1084284407 PHPCHFUHXOHZRH-QFIPXVFZSA-N 766.155 6.043 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC(=O)c1ccccc1OC 1084289783 GYAWYDXMRZCKOE-UHFFFAOYSA-N 559.018 6.309 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1cccc(C)c1 1084343232 QHRFUBUTKYUOOF-UHFFFAOYSA-N 606.542 6.742 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccccc2)cc1 1084367447 DIWMZEDEBYSJKU-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2F)cc1 1084578867 QJUGFXXFQGFBQE-UHFFFAOYSA-N 536.604 5.026 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084631616 KZXPXINCLCHMCE-XMMPIXPASA-N 635.309 6.061 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653179 PWQMRHXURQBUGJ-HVHGQGTFSA-N 550.511 6.859 50 10 KKGE Cc1c(C(=O)Oc2c(Br)cc(Br)c3cccnc23)oc2c1C(=NNC(N)=O)CC(C)(C)C2 1772729283 LEGIVHODQXBZIF-UHFFFAOYSA-N 564.234 5.225 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746159 QXPKDCWZQGJCPF-UHFFFAOYSA-N 523.976 6.470 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(Cl)cc(Cl)c5)c(C)c43)coc2c1C 1772751391 ASTMCBSWNBJUEV-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865688457 SHRWISCQZZAJJV-HXUWFJFHSA-N 533.785 5.117 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCCc1ccccc1 1865688478 SOXZKTVGBWWZEM-HKBQPEDESA-N 572.640 6.586 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690344 OZDRLLJLYXRQKQ-HSZRJFAPSA-N 536.941 6.401 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccccc1 1865692402 BFMMBTFCUZGNQQ-QHCPKHFHSA-N 533.510 5.482 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OC 1865695232 AGEDRHDINJTJRD-HHHXNRCGSA-N 530.669 6.401 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695344 NTZVBEWITVYADG-LJAQVGFWSA-N 536.632 5.948 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701134 MQJVREBDMRORQK-GOSISDBHSA-N 564.665 5.596 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1 1866798238 UVVWQPWCGFRNAL-DEOSSOPVSA-N 550.478 5.741 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)[C@H]2CC(C)C 1868301539 RKPMNLLRJDFDQH-LJAQVGFWSA-N 519.718 8.227 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc5ccc(C)cc5nc43)n2)cc1 1868320112 BSABSIOKSLHCFN-UHFFFAOYSA-N 500.631 7.320 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4ccc(Cl)cc4)CC3)nc(-c3ccccc3)n2)cc1 1868365333 ONNCLZKVBMIBAJ-UHFFFAOYSA-N 541.124 6.869 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccccc4Cl)cs3)CC2=O)cc1OC 1872746301 BKRSQTLLVDJGLP-HRNVMRTQSA-N 510.015 5.365 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)ccc1F 1872749712 DUSTWBFCFJJXBW-NMWGTECJSA-N 518.035 6.036 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c2ccccc12 1872758906 WFAOLDLUINHOFV-BZZOAKBMSA-N 505.039 7.894 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Cl)c1 1873795135 SXYFIGLMDWRTRW-IEIKYZJLSA-N 510.119 6.859 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2I)c1Br 1922939905 JGGGVQOVQSUVSI-JTQLQIEISA-N 550.879 6.670 50 10 KKGE Cc1cc(F)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924586429 XTYBRQOTVWAPOS-SECBINFHSA-N 521.869 6.967 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CCC3(CC2)CC3)c1Br 1924608455 ILQAEEXALQKKIF-SECBINFHSA-N 521.938 7.442 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC23CCOCC3)c1Br 1924608573 KJZIJYFGXJLGFN-HTRCEHHLSA-N 523.910 6.288 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@H]32)c1Br 1924616801 SYRBLAXLRFMFQY-FDDDBJFASA-N 521.938 7.298 50 10 KKGE O=C(N[C@H](CBr)CC1CCCC1)c1cc(Br)ccc1I 1926734330 CPWGIQNBCWIXKY-LBPRGKRZSA-N 515.027 5.127 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2cscc2OCc2ccccc2)s1 1934829908 BYGZFBJVFAHFLD-OAHLLOKOSA-N 523.109 7.398 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2scc(Br)c2Br)c1C 2024024842 YCRRWDFBZNFSKY-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CC[C@H]21 2025779713 KSQXQUFSYUEPBE-CMOFIFEBSA-N 508.273 6.673 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1 2083333763 IXLGIFYSBAGCGW-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE Cc1nn(C)c([C@H](Br)c2ccc(Br)cc2Br)c1Br 2083334665 OJOFCVVYSCDNCZ-LLVKDONJSA-N 501.842 5.500 50 10 KKGE CC(C)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085496378 WGJPAXGFMZTUSS-GFCCVEGCSA-N 568.767 7.609 50 10 KKGE CCC[C@@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121063988 KBWSDCPBYVSVGL-MRVPVSSYSA-N 516.857 5.791 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Br)cc1Br 2148685494 OHFVPGVKEGMHMI-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206404804 YNWJDUATUQSUGY-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(C)c(I)c1 2232835498 UBZFRSBENYTRRV-CQSZACIVSA-N 530.425 6.508 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CCc1cnn(Cc2ccccc2)c1 2234055597 CLCINFCIDUASGP-UHFFFAOYSA-N 508.645 5.788 50 10 KKGE COc1ccc([C@@H](Br)c2sccc2I)cc1I 2248890525 WVJOYNWTICOBML-LLVKDONJSA-N 534.982 5.450 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2)c1 2263516562 DVVSJDUOSZRHEX-NRFANRHFSA-N 525.078 7.469 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc2sc(Br)cc2s1 2263559568 LKDDPVNTPYNQLP-JTQLQIEISA-N 507.519 7.640 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283576441 GPNHNHHMQOGQGU-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)cc3c2OCC3)cc1I 2283587174 QNXLUGSPBGTKPL-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1c(Cl)cccc1Cl 2288495056 OUVAVDWOWHSXCO-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1 2294619853 BRAYMOLKWVUMDX-UHFFFAOYSA-N 556.254 6.653 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 2295934408 RZBHNHZARILIQV-UHFFFAOYSA-N 576.030 6.426 50 10 KKGE CCCCCCOC(=O)c1ccccc1NC=C(C#N)c1nc(-c2cccc(Br)c2)cs1 2295956201 AVNQQNJJJPUIFA-UHFFFAOYSA-N 510.457 7.286 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296160156 AVSWQYUQSCTRAF-LJQANCHMSA-N 559.713 7.282 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2CC[C@@H]3C[C@H]2CO3)c1Br 2312747839 NCKUKYKAVKQTTF-XQXXSGGOSA-N 523.910 6.287 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc2ccccc12 2313510882 BBJDLKHPGVVVSB-UHFFFAOYSA-N 541.445 7.352 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313521594 YHAGOIBUWGPELD-UHFFFAOYSA-N 595.220 7.548 50 10 KKGE C[C@H](NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccccc1 2313738815 QUFOBIIFQMUWHJ-KRWDZBQOSA-N 540.255 6.575 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1C 2314533838 UGXZMYKHYQHTPJ-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1 2314634540 HBYPNVAFXWOFTR-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634808 NNJGHPPFSNFJQV-SSEXGKCCSA-N 508.618 6.610 50 10 KKGE CCC(=CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 2321359370 RCBQMEKNESUZAA-AREMUKBSSA-N 550.478 6.320 50 10 KKGE C[C@@H]1CCC[C@@](CI)(OCc2cc(Br)cc(Br)c2)C1 2337095565 BYNVNWZTGFILOM-IAQYHMDHSA-N 502.028 6.112 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)cc1I 2340027145 JQUHATBSHKZRCD-XLKFXECMSA-N 515.414 6.342 50 10 KKGE Clc1ccc(CO[C@@H]2CCCCCC[C@@H]2I)c(I)c1 2340111205 YXAXLZGSNKOVKM-DZGCQCFKSA-N 504.577 5.988 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)cc(Br)c2)c1 2366889523 NWRYYEFRHIRWHI-OAHLLOKOSA-N 501.871 7.587 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 33405851 MYBJRGCESBZLNY-UYRXBGFRSA-N 509.400 6.700 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 38686444 UKNZSKNBNFKXJK-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5)ccc43)c2)cc1 38686633 MEFFAURWSJPVGF-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 40815439 HVVVOBZNYXNYLY-YQCHCMBFSA-N 521.617 6.228 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCc6ccccc65)c(C)c43)coc2c1C 40826712 MNDXXMDDGZVKLW-FEZSWGLMSA-N 509.606 5.943 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 58889101 BOMUZNSRVNWHGG-HGNFKBFPSA-N 517.423 6.145 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241577 NYZPDEWRPGPITA-WTALZMIHSA-N 500.451 5.845 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCCC(C)C 101374921 DAILQWVLDRCFHP-WJOKGBTCSA-N 558.631 5.721 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)c1 101383871 KXFAWFYTCJHHEM-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384522 ZSNIZRABDWYYPC-HKBQPEDESA-N 536.559 5.780 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1Cl 101385670 YSBRSQIEGUUDGC-HHHXNRCGSA-N 545.016 6.426 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(Cl)cc1 101386150 SCKHMWJFLVRYCM-HHHXNRCGSA-N 528.948 5.958 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387694 KNOGWTJYCMGBEC-UMSFTDKQSA-N 576.649 6.484 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101394831 RKDFHXUTJJMSKG-HKBQPEDESA-N 601.099 8.108 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101397719 ZPOZBYKGZLSREF-NDEPHWFRSA-N 583.040 7.710 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)C(c3ccccc3)c3ccccc3)CCC4)ccc21 101609858 HPUBJNVQNNNLPI-QSWGGJQDSA-N 594.715 7.957 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 101751307 QZAFRTBKEGGBKJ-CJLVFECKSA-N 609.517 6.726 50 10 KKGE C/C(=N\NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccc(NC(=O)C(C)C)cc1 102334266 MHIOFJRIPYTEGA-VTNSRFBWSA-N 545.437 6.118 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2 102998677 MXZUBCLLPFAUGK-SILNSSARSA-N 510.619 5.972 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccc(C)cc1 103569184 FSWFFAGMJPFRNJ-KBVAKVRCSA-N 592.515 6.352 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 104990253 UCQKWNCLDVWAKV-MDVFONAFSA-N 536.459 6.487 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 105061731 KDPQOMXFEFPAKU-MUFRIFMGSA-N 530.378 5.219 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430416 FWMFQWXOJHJNPG-PMERELPUSA-N 631.910 7.518 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 150434242 MOCAVHMMDWBYOX-UHFFFAOYSA-N 637.394 6.038 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 150461096 DSPYVFKLAOMQLN-JGCGQSQUSA-N 645.539 8.116 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=C(F)F)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]12 203903691 USJKYXKINVXLRD-WCNSGVLWSA-N 580.876 10.691 50 10 KKGE CCOc1ccc(/C=C(/C#N)C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 207130756 YQJXXOLTCFEJGD-QJOMJCCJSA-N 504.608 5.294 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 214400992 QMKKHTPMQIICDI-COEJQBHMSA-N 572.665 6.090 50 10 KKGE Cl[C@@H](c1cc(I)ccc1Br)c1csc2c(Br)cccc12 236032476 REOTUYJPRQEVJF-AWEZNQCLSA-N 542.461 7.359 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 245264693 DTUHHJQAQMXIBH-UHFFFAOYSA-N 551.426 6.440 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 253482103 LDWUVDREUSKHHY-UHFFFAOYSA-N 530.411 6.191 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254402313 AEKJDCPLFYFJNM-UHFFFAOYSA-N 555.748 6.780 50 10 KKGE O=C(CCCCCCCC(=O)NN=C(/C=C/c1ccccc1)c1ccccc1)NN=C(/C=C/c1ccccc1)c1ccccc1 254703427 DFFZVOLNHOLTLS-DHFNPBASSA-N 596.775 8.185 50 10 KKGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1 254878876 DRKPAYPYZFBFDP-UHFFFAOYSA-N 552.494 5.546 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3c(Br)nc4c(OCc5ccccc5)nc(N)nc43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 256681792 JDXBCEWMDJONPM-SGNDLWITSA-N 678.777 6.994 50 10 KKGE Clc1ccc(I)c(COc2cccc(CBr)c2Br)c1 405504676 CYTPKTQJSHIOHI-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCC(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C(=O)NCCSSCCC(=O)O)c(F)c1F 504144107 FJKANRXSLHOXFW-ZIRCGOFTSA-N 979.159 5.621 50 10 KKGE Cl[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616626024 PCQHHGZMQLZGQM-JRHULHRVSA-N 559.102 6.923 50 10 KKGE Cl[C@H](Cc1cccc(Br)c1)c1ccc(I)c(Br)c1 721571252 DTSFMLDGWOFBTO-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE Clc1cnccc1C[C@H](Br)c1ccc(I)c(Br)c1 721579120 QGEFMODVQAEJPP-JTQLQIEISA-N 501.387 5.781 50 10 KKGE CC(C)C(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)C[C@H](CO[P@](=O)(Cl)N(C)C)O3)c2n1 725326457 WAHZVPMCAUKPIH-CKRYVKTGSA-N 853.317 8.067 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)COc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1 725419008 RPLMOPHKCYAUCJ-GVQINVNESA-N 509.606 5.527 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccc(F)cc1 1083984011 BMAVKSQALYYXFM-UHFFFAOYSA-N 501.650 6.556 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CCSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084025817 PLMZDHVNDMROMD-YIIWZEITSA-N 525.674 6.322 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084039368 UASKNSNBWRVMEG-VWLOTQADSA-N 552.425 5.629 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084108673 ZTIIZNIEKUDEOZ-FYJGNVAPSA-N 673.305 5.797 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc2ccccc2c1 1084326211 CTXOKSOAYJVKGE-UHFFFAOYSA-N 536.591 7.637 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)OC 1084487558 VWMPRBZLUMCIIY-NTUHNPAUSA-N 528.186 5.252 50 10 KKGE COc1ccc([C@H](C)CC(=O)NN=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)c(O)c1 1084533089 KFNQRIMCAADYEX-LJQANCHMSA-N 554.628 5.488 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1565518857 KNQGQQHLDZEZHY-MOSHPQCFSA-N 523.549 6.406 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653279 KZCBOJSIRFMIRF-VXFDCLNWSA-N 562.489 5.761 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748026 NBFQYQPNBVTPAU-UHFFFAOYSA-N 525.219 6.924 50 10 KKGE Cc1c(C(=O)NCCc2cccs2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748772 DKYHUMYNLQPOEE-UHFFFAOYSA-N 520.438 5.164 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3cc(C)cc(C)c13)CCC2 1772752134 VKTAXCQBXDUFNT-UHFFFAOYSA-N 513.594 5.920 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C)cc(Br)cc2C)ccc1OCc1ccc(C)cc1 1772753389 YUWCZVMTRUWYNP-UHFFFAOYSA-N 511.416 5.491 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1 1865684460 YWPASBOHKYMRCI-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695955 VQOYNUCZXAOUJQ-WJOKGBTCSA-N 570.649 6.662 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(Cl)c1O 1865706965 KEFFGULCZMQPEE-OAQYLSRUSA-N 505.361 5.778 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1 1865707572 ZWVNSKTUBORRHW-RUZDIDTESA-N 529.566 6.195 50 10 KKGE N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1866128973 VWKNECKBXAUZIH-MHWRWJLKSA-N 549.226 6.444 50 10 KKGE CC(C)[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866750682 MUNRHUITWQIIEY-UIOOFZCWSA-N 524.061 6.548 50 10 KKGE C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866819796 NCLYRUSNTIBIHQ-GZTIXLHPSA-N 522.095 6.373 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccc(C(C)C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866966084 SDYGPCOWIHVOOR-XZWHSSHBSA-N 557.716 6.414 50 10 KKGE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200444 FQUHIOUSRVHEDB-OAQYLSRUSA-N 531.041 5.647 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)N(c4ccccc4)[C@H](C)C3)n2)cc1 1868320391 IKZQNQQJKSUIEJ-DHIUTWEWSA-N 506.679 6.872 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@H](Cc4ccccc4)COCC3(C)C)n2)c1 1868506395 WXZJQJHCPYTREZ-RUZDIDTESA-N 537.689 6.695 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745294 GMAAGCCMNYCNMO-GYXJVLCKSA-N 515.860 7.365 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 1872780586 FBQAFCRZNPQHDD-DEDYPNTBSA-N 507.840 7.869 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2Br)c1Br 1893054234 KEABWIZAIDETIH-GDGKWOGESA-N 532.715 6.255 50 10 KKGE Fc1ccc(-n2nc(CBr)c(I)c2C(F)(F)F)c(C(F)(F)F)c1 2079250551 IDSORSFEJIYNJF-UHFFFAOYSA-N 516.980 5.549 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2csc(I)c2)c1Br 2081070523 JXHCUHCJEMQXQP-CYBMUJFWSA-N 564.906 6.979 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1ccc(Br)cc1I 2086139042 JXLKNSAIWIDTQQ-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)cccc2Br)c(F)c1Br 2094094875 HAIPWUODMPJALD-LLVKDONJSA-N 519.803 6.737 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 2138243755 QERRJVXCTQHQCR-JTQLQIEISA-N 554.323 7.182 50 10 KKGE Cn1cc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2141468772 NJWACOSOKPFYGV-SNVBAGLBSA-N 601.156 6.561 50 10 KKGE COc1cc(F)c([C@H](Br)c2cccc(F)c2I)cc1Br 2202902516 RMMOPWXEEGXNEA-CYBMUJFWSA-N 517.933 5.825 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 2202903375 DELFEDHXNNYKNB-CQSZACIVSA-N 534.388 6.339 50 10 KKGE CC(C)(CC(F)(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395691 PMIBAXWSXHQNEF-SNVBAGLBSA-N 566.275 7.995 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(I)c2)c(C)c1Cl 2224316395 CSFFODAPPQCHGS-CQSZACIVSA-N 514.426 6.808 50 10 KKGE Fc1cc(Br)cc2c1nc(CCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2224698827 VZNWZZVYXOLVPE-UHFFFAOYSA-N 528.853 6.148 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2229146759 BQSILNIZESWQSK-MRVPVSSYSA-N 528.318 7.865 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)cc1I 2232836098 CJZKKLSPDVWUJA-GFCCVEGCSA-N 536.379 6.778 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)cc(C)c(Cl)c2C)cc1I 2232839205 RBUKEQAPDITPAI-HNNXBMFYSA-N 528.453 7.117 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Cl)ccc2I)c(Br)c1Cl 2283555756 TUXCASHVCCIPKH-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE COc1cccc(NC(SCc2ccc(C)cc2C)=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 2297414601 VWDIYUBIYZPIDO-UHFFFAOYSA-N 531.678 5.769 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1)c1nc2ccccc2s1 2297476805 JLIBYBCKPWBQGW-UHFFFAOYSA-N 577.687 6.327 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2sc(Cl)cc2I)c1C 2300956543 BADPEKRXNLPMJH-SECBINFHSA-N 526.484 6.931 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 2313567398 GSCHKTZAHVMRGU-UHFFFAOYSA-N 507.417 7.164 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc2ccccc2c1 2313568282 TWQLFWDTAHUATJ-UHFFFAOYSA-N 557.694 6.802 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 2314531512 BTGSBSRWYRSGHY-UHFFFAOYSA-N 509.324 5.787 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OCC)cc3)C2=O)cc1 2314591633 ACJHUOBNTQXHKI-LJAQVGFWSA-N 539.701 6.801 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314611312 SWLNNYRYSAMCKG-UHFFFAOYSA-N 542.639 6.367 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314617946 DMAGDWRAJXWKJD-XMMPIXPASA-N 512.613 6.510 50 10 KKGE Cc1ccc(OCCCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c1 2314770684 QVJBUUOIPVPNNX-UHFFFAOYSA-N 523.383 5.339 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1cc(I)ccc1Cl 2327406326 JMJKDGRPRXWAQT-UHFFFAOYSA-N 508.463 6.309 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3ccc(Br)cc3)nc(O)c2cc1OC 2331044380 ATMZOYAGTPCKOX-UHFFFAOYSA-N 548.393 5.767 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 2331331973 PICZESYLKFBSJD-FQEVSTJZSA-N 515.635 6.130 50 10 KKGE CCCCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1 2331362789 QNKILXGEEQEVNC-UHFFFAOYSA-N 503.451 8.034 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)cc1Br 2336043874 JEQLGRXHGAMRBQ-FQEVSTJZSA-N 547.031 7.553 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(Br)o2)c1Br 2339653042 FJGNVEQPCPPXFK-LLVKDONJSA-N 517.837 6.368 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCCC[C@@H]1CC2 2359782345 FOHVEWGXHYSULF-UKXDHYTESA-N 550.354 7.987 50 10 KKGE Fc1c(Cl)cccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229688 LPTQNGXDTPMJTM-JTQLQIEISA-N 509.797 7.281 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1c(Cl)cccc1Cl 32519889 OKDADIJMKUFXJR-RPPGKUMJSA-N 502.448 6.425 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(C)c1 58895378 NOPGTKLPLRNGCZ-NKCUHTBRSA-N 530.665 6.064 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 59475525 IYBICSCWECEKGB-JNIZBEHLSA-N 520.662 6.014 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(I)cc1 100228183 FYGQHACDBWDJEG-ZMIIAFDNSA-N 598.481 5.961 50 10 KKGE O=C=Nc1ccc(Cc2ccc(N3C(=O)N(c4ccc(Cc5ccc(N=C=O)cc5)cc4)C3=O)cc2)cc1 100485371 ARRNPOPZVLSDGB-UHFFFAOYSA-N 500.514 6.369 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)c1 100920307 SGFWYHKQKUODLY-LYBHJNIJSA-N 578.698 5.651 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243102 OSNWUGDNPOLREW-WWTUHYLUSA-N 549.618 6.571 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101334094 CVUYSUXNHVOTMV-QIWJOQEQSA-N 515.411 5.693 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101335946 OFFKEUSBLQCGKQ-MTDXEUNCSA-N 552.675 5.901 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101336931 PEZHGJFMFPVOAR-NHMXVPMISA-N 543.421 5.073 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 101339432 OODGPGVLWYKDNR-UXHLAJHPSA-N 542.639 6.347 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101375473 CLDTUIXOJINUER-XIFFEERXSA-N 584.713 7.517 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387764 ONDHWNSJUNMDQR-UAUHYJHGSA-N 588.660 6.818 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101388037 IXUJNCPOEBKYLZ-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE CCc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101393816 ZAGRJQAWFFHTAU-QHCPKHFHSA-N 521.425 7.208 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCC(C)C 101395602 QUCQEAPYOFHQNQ-NDEPHWFRSA-N 603.469 6.985 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] 101479299 SJVYWWJFCHQASV-UHFFFAOYSA-N 516.662 7.174 50 10 KKGE CCOc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 102737875 MILHBKSQTLCJFU-BYNJWEBRSA-N 552.096 6.195 50 10 KKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 103649601 LEADKKXAWNGNHQ-STZFKDTASA-N 528.505 7.936 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743113 ZPNWKTIRAOCRJC-YKMWHWIESA-N 536.484 6.087 50 10 KKGE Cc1cccc(C)c1OC(=O)[C@H](C)[C@H](O)[C@@]1(CO[Si](C)(C)C(C)(C)C)[C@H](C(C)C)OCN1Cc1ccccc1 195887217 VVDXXAUDVUNJDX-MKYSJVDASA-N 555.832 6.481 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)cc1OC 206685375 CLQQHNBTPCNCMJ-DHFYGYITSA-N 528.605 6.089 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc5ccccc5c4)cs3)cc2)cc1 210607262 KTRHIDXROZVHPX-MDFHPKMQSA-N 514.606 7.655 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C1=O 214225601 MEGLJSWBTUHQPC-JLPGSUDCSA-N 512.585 5.860 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214336653 ZUOCNRIROGPOKU-IEZSBWOXSA-N 516.576 6.340 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=C(F)F)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]12 245189584 USJKYXKINVXLRD-NXGJKPKFSA-N 580.876 10.691 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc(N2CCOCC2)cc1 254302538 JKNYPRFGGSGMKO-UHFFFAOYSA-N 502.665 5.579 50 10 KKGE CCC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1)c1ccc(O)cc1 254450794 WAQNKZJUTXNLNG-UHFFFAOYSA-N 543.693 5.969 50 10 KKGE CC(=NNC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 254507649 DBQZHMXYOBBZMQ-KTNPJTGOSA-N 541.720 7.857 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2)cc1 254815500 CXRIURJOOKMSHU-UHFFFAOYSA-N 533.657 6.242 50 10 KKGE O=C1Cc2cc([C@H](Br)c3ccc(I)cc3)c(Br)cc2N1 380282917 QNAIVRQRRXVZPW-OAHLLOKOSA-N 506.963 5.033 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Nc2ccccc21 616692041 JRDWPYWRRAAGTB-SANMLTNESA-N 512.887 8.203 50 10 KKGE O=C(c1cc(I)ccc1Br)N(CCBr)c1ccccc1 714533928 CHHOUZZSZJCTFN-UHFFFAOYSA-N 508.979 5.095 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 721586076 IHTJLFGUZHLESP-OAHLLOKOSA-N 574.876 6.699 50 10 KKGE CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C2(CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)C1 725239114 WWLOWVWWYJCRSX-SQJMNOBHSA-N 657.155 5.587 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000313 IDKDEJKAOLGAAX-CLOAYSGLSA-N 604.619 6.173 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083818329 AUHUBWQSDUBDNK-RXFVIIJJSA-N 602.882 6.424 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)cc1 1083926495 UMFHGLLTJKXOSZ-UHFFFAOYSA-N 650.599 5.199 50 10 KKGE O=C(NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 1083939947 FMYLPCSHBMOTIE-UHFFFAOYSA-N 511.192 5.968 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1F 1084046378 SVGLSAYIVZJVAA-KGENOOAVSA-N 525.407 7.384 50 10 KKGE CCCN(CCC)c1ccc(C(=O)NN=C2C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 1084227408 QBRXPKHHVYHXMB-UHFFFAOYSA-N 551.460 5.896 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1084625418 PXLZJIALBAQHHJ-UHFFFAOYSA-N 598.622 6.280 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 1084635066 IPEAHQJMYBAUJF-XMMPIXPASA-N 716.208 6.758 50 10 KKGE CN(C(=O)c1ccc(I)cc1)[C@@H]1Cc2cc(Cl)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1615886545 FFEUTQSZIXNCFR-RGSGVQHRSA-N 642.803 6.066 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2)CCC3)c(Br)c1 1772743686 IQRJKPLNUAFMIU-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747527 IVYWMBWDRTWYSC-UHFFFAOYSA-N 545.777 5.635 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccc(C)cc1 1772754799 VUYNSWRAVHYWLE-UHFFFAOYSA-N 539.470 6.172 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 1848441221 LVZDQHRVHPNMRY-PAJRHYINSA-N 812.482 5.511 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684726 WSQYGMPTIFKHRQ-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl 1865686516 WULNSLDNBHNZEO-OAHLLOKOSA-N 530.131 6.179 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688131 KEDSOJZUVVOPAH-MHZLTWQESA-N 500.558 5.928 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689750 DUNDVFITEYDRLI-PMERELPUSA-N 575.068 7.058 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865693853 ZTWUZUOXBPELDC-DEOSSOPVSA-N 569.475 6.191 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694797 BXPNVXIOEMTZIP-LJAQVGFWSA-N 519.004 6.785 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695758 SLDWQSMDCBFWDP-MHZLTWQESA-N 545.470 6.988 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1O 1865697046 VKRCABCVASJUOI-NRFANRHFSA-N 549.812 5.888 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)c2ccccc21 1865698806 CVYVWQCYPPIEBT-RUZDIDTESA-N 509.972 6.101 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1OCc1cccc(C)c1 1865704695 CCCBRMWEOKLXBK-WJOKGBTCSA-N 568.677 7.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705384 ULKBKHLHBJLTEC-RUZDIDTESA-N 547.398 5.934 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)ccc1OCC(=O)N(CC)CC 1865707086 NKVVTFJJOGKFPC-HHHXNRCGSA-N 564.086 5.011 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866701490 NMQCLLXCKRMUGB-WUFINQPMSA-N 522.630 5.053 50 10 KKGE CCCC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866797943 FXWRTNRUPSTQFC-NRFANRHFSA-N 516.461 5.689 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4c([nH]c5ccccc45)[C@@H]3C3CCCCC3)n2)cc1 1868320304 HBMPPPDXKUCBDA-UMSFTDKQSA-N 570.766 8.934 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747126 OLPVGFYQAOSJPW-LNVKXUELSA-N 512.478 5.608 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)ccc1F 1872749661 BLMWVMOQGZPAAT-JVCXMKTPSA-N 519.601 7.717 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758185 OQYXVZCDYJYZIU-VVDDJIQESA-N 520.825 6.625 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922883568 PKFCITXJSVITQH-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cccc3ccccc23)c1Br 1924600311 PUIMMYFAMHKQTM-GFCCVEGCSA-N 539.912 7.673 50 10 KKGE C[C@@H](CC(C)(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924611646 DGBPVZCZSLJHCU-XPUUQOCRSA-N 511.943 7.544 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1Cl 2025782998 LHVXLFKBTUGRHU-HAGXEDOSSA-N 511.277 5.624 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1cc(Br)sc1Br 2026221135 JKTQFEUFOIMOBN-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE COc1ccc(C2=CSC(=C(C#N)C(=O)COC(=O)c3cccc(N4CC(=O)C(c5nc(-c6ccc(OC)c(OC)c6)cs5)=C4N)c3)N2)cc1OC 2053614774 KBRWZYQVARJHRM-UHFFFAOYSA-N 737.816 5.357 50 10 KKGE CC1CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493757 GPMIQOOTRCNAPJ-QIMWKCOFSA-N 524.316 7.453 50 10 KKGE C[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(F)F 2085494968 OINXOOFDPZYYMX-SPGJFGJESA-N 578.709 7.464 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 2085496970 YWILNRBTTVDUDU-LLVCWYDASA-N 566.751 7.219 50 10 KKGE Clc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc1I 2094673277 JIMWIDHYWBTGRT-ZDUSSCGKSA-N 532.466 7.130 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(F)cc2I)c1Br 2138863839 NCGIXJZCROPHDQ-AWEZNQCLSA-N 518.389 6.592 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1nn(C)c(Cl)c1Br 2202997136 IOKIDSQAXPEZEG-QMMMGPOBSA-N 507.835 5.745 50 10 KKGE CCCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2206398276 SQFOLOLUYXYGCI-HLCFFCTHSA-N 597.809 6.951 50 10 KKGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399294 FLPMHIRULSZTLI-WKEGUHRASA-N 618.805 5.997 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2206586093 HQISJZWIWLKVLV-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2csc(I)c2)c(C)c1Br 2220154321 KADGYHGMQWNRMO-ZDUSSCGKSA-N 520.455 6.823 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cccc(C)c2I)cc1C 2236007296 IRNNHKASOGFTRV-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1Br 2236112317 SPRSCUNWQDKFPT-NSHDSACASA-N 584.793 6.718 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(I)cc1 2272731106 XVXSUZKWVVLVSM-NSHDSACASA-N 566.803 6.579 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(F)cc2)cc1 2293198322 UNHYASKLQJXFGV-HSZRJFAPSA-N 502.527 5.107 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1c(Br)c(Br)nn1C 2301121502 YONRIDSGGRLMNC-ZDUSSCGKSA-N 522.079 5.007 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521464 PWWZFEKTCNPAAS-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC#N 2313570799 GNYVZHDRECMYNA-UHFFFAOYSA-N 528.133 5.055 50 10 KKGE N#CC(=Cc1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570867 IDNFZFQXOWSBJP-UHFFFAOYSA-N 523.807 6.786 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 2314531405 ANVLXLDQZOGROM-UHFFFAOYSA-N 525.779 6.301 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591733 CNZNJPJHRCXSMJ-HSZRJFAPSA-N 538.456 6.375 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593603 PWQMRHXURQBUGJ-DWXRJYCRSA-N 550.511 6.859 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1C 2314618078 GSXHSXCYFLRRRK-UHFFFAOYSA-N 504.546 5.242 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C(C)=C(C#N)C1=O 2314620565 QVGWPJDZRSLFIW-UHFFFAOYSA-N 552.631 5.180 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314620587 RNEQPNBPZITMJV-UHFFFAOYSA-N 562.670 6.973 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 2314640685 MRECAEUPEPTLBM-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646876 SOLQCTCJWGAJKA-LJAQVGFWSA-N 662.768 5.643 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OCC)c1OCC 2331279304 HDWAFRMJYSDVRO-UHFFFAOYSA-N 515.429 6.719 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c(C(C)(C)C)c1 2331397528 NADTVJIMGXXGRT-UHFFFAOYSA-N 519.450 7.303 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464612 XTLOPCIXEQNDKI-UHFFFAOYSA-N 521.041 8.899 50 10 KKGE CO[C@@H]1C[C@@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2333303902 YAYODKVUSPSSFE-LVUPCCEUSA-N 538.299 6.442 50 10 KKGE CN(CC[C@@H](Br)c1cccs1)c1ncc(I)cc1Br 2340490956 UWCJVEOZUFOPBH-SNVBAGLBSA-N 516.040 5.473 50 10 KKGE CC1([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)CC2(CC(F)(F)C2)C1 2361172753 GABQBXGMDMRFPG-LJQANCHMSA-N 500.221 7.680 50 10 KKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361204881 IJQATIHBTOAEIG-BHJVWRQASA-N 506.156 6.574 50 10 KKGE Cc1ccccc1[C@H](CI)OCc1cc(Br)cc(Br)c1 2362240796 RCRDUWRELKVGNO-INIZCTEOSA-N 510.007 6.213 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Cl)c2ccc(Br)cc2I)c1 2366890834 RDUXNQTUEHWSRK-CQSZACIVSA-N 504.420 7.273 50 10 KKGE Cc1ccc([C@@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377622134 OBYMUBUHLXBIGB-MRXNPFEDSA-N 557.007 6.055 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OC(C)C)c(OC)c3)cc2)sc2c1CCCC2 6167445 DFPFMJKJFYSCKO-OMUPBXIWSA-N 607.729 5.769 50 10 KKGE CC(C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669628 BPCPMUPKVDDBKO-UHFFFAOYSA-N 511.416 5.034 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20495124 XAKIJENBBILGEY-KBVAKVRCSA-N 518.400 6.589 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 38650855 DWLVOXGFDGRPTP-MUUNZHRXSA-N 518.997 6.030 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 40889025 AGPVQRGTXFXDTM-LQKURTRISA-N 511.416 5.518 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 58889497 UFNMNTPKBOHKSI-MGCJZSHXSA-N 501.366 5.235 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245343 IXMUDAWPEHKNHT-RAMZYJDASA-N 546.490 6.439 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc(OC)c1OC 101368675 QMMFFKFMJAPGEV-SANMLTNESA-N 550.995 5.185 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OCC 101374600 WOACXUYRRKEXHL-PMERELPUSA-N 563.050 6.510 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 101375008 PGCLKSDZCZDVGH-DOABURPNSA-N 580.725 7.645 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 101378446 GDZUCNVDQMEFQA-YTTGMZPUSA-N 544.651 7.309 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc([N+](=O)[O-])c5)ccc43)cc2)cc1 101378946 JUWLDORUUBOESP-GDLZYMKVSA-N 533.540 5.920 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc(C)c1Cl 101380431 GSPNCUZJBXKBLX-WJOKGBTCSA-N 585.031 6.878 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380864 OEKCHTWGBTZPBH-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101388579 OWUJSTAQPMWIPV-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390483 YMXAAIWEAYVQGC-QFIPXVFZSA-N 523.397 6.654 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2cc1Cl 101397676 DMQHYTXNSQRTOZ-HKBQPEDESA-N 611.481 8.373 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccccc2Br)c1N 101531828 DVJTVKAYLFGLAO-UHFFFAOYSA-N 547.586 7.471 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 101680461 ZYEXTIUEIIEUES-OVVQPSECSA-N 544.563 5.203 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(=O)c1ccc(OC)cc1 102262518 AZOFXKBWFBABBM-ODLFYWEKSA-N 565.376 5.319 50 10 KKGE Cc1ccc(Cc2nc(N3CCN(C(=O)[C@@H](Cl)c4ccccc4)CC3)c3cnn(-c4ccccc4)c3n2)cc1 103145665 VSFWYUXVZDPCQK-NDEPHWFRSA-N 537.067 5.343 50 10 KKGE Cc1ccc2c(c1)N(Cc1ccc(Cl)nc1)/C(=C(\C(=O)C(Cl)Cl)[N+](=O)[O-])N2Cc1ccc(Cl)nc1 103679909 NYKMSXLZPXDXMX-BSYVCWPDSA-N 553.233 5.937 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 103877914 OWGQWDPTVNWJAE-JEPNHJGPSA-N 582.473 7.697 50 10 KKGE C[C@@H]1CC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)=NN1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 105322867 DHDKNHJVZCDZDM-PGUFJCEWSA-N 636.760 6.847 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461466 XDLYJWUESNBNHR-MUUNZHRXSA-N 698.411 9.540 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 150462248 ZCTBIVHAPSNLHX-WJOKGBTCSA-N 665.957 8.461 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc43)c2)cc1 150480127 HFKACMNLLJWTIS-RUZDIDTESA-N 690.794 9.044 50 10 KKGE CC[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)C[C@H](Br)[C@H](Br)CCCCCCCC(=O)OC 166431458 BSMVUFPMZLIMHM-SSDAWUQTSA-N 771.887 8.661 50 10 KKGE CC(C)(c1cc(Br)c(OC[C@H](O)CCl)c(Br)c1)c1cc(Br)c(OC[C@H](O)CCl)c(Br)c1 196348317 RPEKWRMKDVUCNG-ZIAGYGMSSA-N 728.925 7.020 50 10 KKGE O=C(N1[C@@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@@]1(Cl)c1cccnc1)N1[C@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@]1(Cl)c1cccnc1 198852958 SHJZHHTTXUUMMY-UPXQWEGASA-N 849.278 8.989 50 10 KKGE O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1O[C@H](C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 199116776 WUGBKECXDPUXLK-BYBAVMQDSA-N 719.743 7.335 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214224464 GZMCTOKUNBNNFN-USHMODERSA-N 522.649 6.357 50 10 KKGE CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CC[C@H]1OC(=O)CCCCCCCC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 221101446 ZGOPKSBMLRPLLN-GKICKVAQSA-N 855.298 15.406 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1cc(Br)sc1Br 236128410 SVIRUIZFHOLRHA-VIFPVBQESA-N 507.842 6.659 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 251391171 JWEOPRVXJUYGSP-QWGKTMRZSA-N 549.678 9.359 50 10 KKGE biogenic O=C(NN=C[C@@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@](F)(C(F)(F)F)C4(F)F)cc2)cc1 254468092 UPUXRHBPMMZVJF-WKWUQZRFSA-N 742.561 8.034 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(I)c1 405071225 GTVCCEQSUFLKPT-JTQLQIEISA-N 528.801 7.528 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@@H]1[C@H](O[C@H]2CCCCO2)CC(=O)[C@@H]1CCCCCCC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 504017791 DXVSMWCKXOCOJF-KIVDKZPYSA-N 680.990 10.184 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)CCCC)CC[C@]4(C)[C@@H]3CC[C@]12C 504081784 UAMJDBHGEBLGGF-DVNSLTIVSA-N 579.773 10.898 50 10 KKGE Clc1sc([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 721595041 SBAGUINJDUDQJO-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 1081127855 LLPAABWYMXLFAP-CPNJWEJPSA-N 500.451 7.155 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083898273 JDPNWBLBHGHLFV-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1083940840 SVWYHGPGKZKNAP-DEOSSOPVSA-N 515.657 6.645 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(O)(c1ccccc1)c1ccccc1 1084056317 GEILHKXMYLQQLD-UHFFFAOYSA-N 533.397 5.553 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(F)cc2)cc1 1084105288 GSUYEKOYPIAJHR-UHFFFAOYSA-N 546.668 5.504 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084166295 LSHZMKITOVHUPH-UHFFFAOYSA-N 555.487 5.990 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 1084265516 OEOGZGSCACMSKN-XMMPIXPASA-N 590.312 6.153 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 1084317170 HSFDJQNFEWKATK-UHFFFAOYSA-N 648.141 5.553 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 1084323682 PAUPNMJPXCZFPP-HHHXNRCGSA-N 520.601 5.504 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1cccc2ccccc12 1084599439 LJLBUWCOKMNRKX-LPYMAVHISA-N 562.363 7.004 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(F)c1 1084635124 WZAUQCIUHDRBEC-UHFFFAOYSA-N 504.521 6.623 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccco1 1565517565 NXNLLZBQQYUEQK-UHFFFAOYSA-N 551.596 5.659 50 10 KKGE CCOc1cc(C=NNC(=O)CCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 1772719696 MYOUDMINVHHBKH-UHFFFAOYSA-N 664.715 5.693 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744079 RWGBZVAQJQMFSS-UHFFFAOYSA-N 523.976 6.470 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccccc6C[C@@H]5C)c(C)c43)coc2c1 1772751728 LAEWZSYMLUXOKL-IBGZPJMESA-N 509.606 5.942 50 10 KKGE CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C=C(\C#N)c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857540375 PNQKCDFOTMDGCU-PYZHFFOYSA-N 681.845 8.836 50 10 KKGE CC(C)(C)[Si](OCC(O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1 1857783278 SKXSFADJOJNBOU-UHFFFAOYSA-N 568.906 5.501 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685778 MSVGSNLEFWHHQT-RUZDIDTESA-N 531.443 7.196 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865687351 PDATUIOEWFFYHP-NDEPHWFRSA-N 538.623 6.533 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693259 MPTDUKHOTGMSQT-MUUNZHRXSA-N 506.606 5.939 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865693423 OFCFUYJCWUJBTG-VWLOTQADSA-N 526.568 5.372 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695594 QDSDJNQLLAAHIN-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865696250 CXSGXHBQGZRUCI-XMMPIXPASA-N 510.997 5.692 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697005 MVZSNIAVABQVLI-LJAQVGFWSA-N 550.659 6.207 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)c1O 1865697047 VKRCABCVASJUOI-OAQYLSRUSA-N 549.812 5.888 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865697514 VBDYXYXZMKZJHJ-IBGZPJMESA-N 563.374 5.647 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 1865697697 ZRZGVWYTQCXMNE-SANMLTNESA-N 508.578 5.562 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865702774 FBUGBGUWVGNYLP-AREMUKBSSA-N 527.024 6.267 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865703745 DSJIYSGUMMUKPD-QFIPXVFZSA-N 533.371 5.771 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708352 UVRFMMSXGXKVMA-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866600578 LWSIXLLDSPXBCZ-AREMUKBSSA-N 547.750 5.952 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 1872747339 XWVHVQXIYMGQIH-JVCXMKTPSA-N 517.610 7.278 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(Br)c1OC(C)C 1872792360 UQTFPMRWZTYMIH-YBFXNURJSA-N 511.485 7.730 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1C 1872794950 FUYHUGAETZXFJX-MKMNVTDBSA-N 520.246 6.730 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)CC1=O 1873940992 QSRQJXDKNRRPFH-LDIFMVGESA-N 501.995 6.471 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915095648 ZLHXNXBEAGCAAM-LBPRGKRZSA-N 530.109 6.120 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@@H]32)c1Br 1924570145 FQIXKTITJFEHGY-LZCNBPATSA-N 509.883 5.754 50 10 KKGE Cc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585346 KRADAULEMYZVGZ-SECBINFHSA-N 521.869 6.967 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1Br 1924614614 POSHGWGAIALWBJ-PULFBKJNSA-N 507.911 6.908 50 10 KKGE FC(F)c1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614666 PXCNGXMVDHMYOU-ZCFIWIBFSA-N 545.888 7.519 50 10 KKGE Clc1sc([C@H](Br)c2c(Br)cccc2Br)cc1Br 1945320847 BIVMZZQGGXCMDF-JTQLQIEISA-N 524.297 7.173 50 10 KKGE CCC[C@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780065 OMRYVOTZBBUOMZ-QUBYGPBYSA-N 556.756 7.609 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)c1nnc2n1CCCCC2 2042453292 AMHRBDRCOSRIPM-UHFFFAOYSA-N 502.530 5.547 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C\[C@H](OCc1ccccc1)[C@@H](F)[C@H](O)[C@H](COCc1ccccc1)OCc1ccccc1 2065316211 TZQRYKFZAFGBHP-POQOLWNPSA-N 581.801 7.081 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ncsc2Br)c1Br 2081055731 XFRZTMMVCDZGFL-JTQLQIEISA-N 518.894 6.532 50 10 KKGE Cl[C@H](c1ccoc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085494882 GEKKWQSAFMQLTG-SNVBAGLBSA-N 587.125 7.420 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)c1 2109670730 VRANSCAYOFIDRC-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2c(Br)cccc2Br)c1Br 2138876264 NUYDZOJAKLIVHD-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE CCCCO[C@H]1[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 2175003476 CPZSUHFPZOTFNQ-JIMOISOXSA-N 632.445 5.444 50 10 KKGE O=[N+]([O-])c1ccccc1C[C@@H](Br)c1ccc(Br)cc1I 2207265936 XZBOSIQVMXDTNJ-GFCCVEGCSA-N 510.951 5.641 50 10 KKGE COC[C@@H]1C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216397673 XMVXFCNURDZECL-LYFYHCNISA-N 511.899 5.939 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 2226585822 LFWNVHYCLKUKKK-SSDOTTSWSA-N 560.277 7.452 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(C)nsc2Br)c(C)c1Br 2227346430 CWORZUIYYQVLHX-GFCCVEGCSA-N 532.921 6.840 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)cc1C 2236015459 ZPTNINOQBYVZOR-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(I)c1 2272849916 OBZQCFNTEKTJAH-NSHDSACASA-N 566.803 6.579 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507181 XIDDZGSJPXGNSY-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE COc1cc(C(=O)NN=Cc2ccc(C=C3SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc(OC)c1OC 2297413570 SIBLVCUVZMOSGY-UHFFFAOYSA-N 568.076 5.536 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567118 GPBUSKWOQPXCRW-UHFFFAOYSA-N 719.317 5.429 50 10 KKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313571271 RDAAMUXQFZEGSG-UHFFFAOYSA-N 504.993 6.073 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314490745 LHCOPWPNOFHOBZ-SFHVURJKSA-N 529.070 6.317 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592062 LCGDGOXGVCRTNO-VWLOTQADSA-N 534.037 5.812 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592983 FLSVDXHRVUEYES-KPURRNSFSA-N 539.701 6.341 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314616617 FUUPLWDUNQKCDI-UHFFFAOYSA-N 625.128 7.873 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 2314616976 OGHYLEDVVOWOSA-UHFFFAOYSA-N 614.702 6.265 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Br 2314618637 QTWDRAVVWKXOGC-QFIPXVFZSA-N 573.447 5.082 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314620540 QEDPKEQGRUUTSM-UHFFFAOYSA-N 563.545 5.388 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331349481 WTZANSNDNYZHDF-XMMPIXPASA-N 515.635 6.230 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCc1ccc(C)cc1 2331429941 XXKSVHFXAIPOQK-UHFFFAOYSA-N 517.448 7.533 50 10 KKGE Fc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Br 2336083628 LPBGPTMEUFJNRA-HXUWFJFHSA-N 502.580 7.397 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)nc(C)n2C)cc1Br 2337281981 XMCIBHXFRPYYGN-LLVKDONJSA-N 515.869 5.809 50 10 KKGE Cc1ccc(CBr)c(OCc2cc(Cl)ccc2I)c1Br 2380658602 FOWOOPYRIPLPQU-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)c(=O)n(-c2ccccc2)n1C 29490917 LLVLQLMNXMKKNW-PLRJNAJWSA-N 558.642 5.670 50 10 KKGE CCN1CCN(c2c(CN(CC(C)C)C(=O)[C@H](Cl)c3ccccc3)c(C)nn2-c2ccccc2)CC1 34829533 WTFNEBRYRKXHFP-HHHXNRCGSA-N 508.110 5.287 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38650764 HCBMXRXKXPHZFY-VWLOTQADSA-N 519.395 6.065 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1OC 38660174 HRDHWOUDKGTLOQ-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38681166 LSBGJNJGHRXICL-ADXZGYQBSA-N 526.589 5.413 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 38683804 OCDCACAMUQJNPJ-NDEPHWFRSA-N 518.541 5.216 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38686048 JIIZANLNJWXDBZ-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCCC)cc3)ccc21 38686114 GJKLNHRKCAJARW-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c(OC)c1 38688460 QRFIDBYKYQTMKD-VWLOTQADSA-N 500.482 5.335 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 40826986 URJIZNMFBXDVSR-AWSUPERCSA-N 513.594 6.001 50 10 KKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40961655 PCUKUDUEUMHNDP-HJHSVFMCSA-N 509.444 6.243 50 10 KKGE CCOc1ccc(N(C(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 40977736 FSQMCZPDAUQSFQ-OQKWZONESA-N 520.607 5.130 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(C(=O)OCC)cc2Cl)cc1OC 41013049 RGHBQPAOOLABSW-CPNJWEJPSA-N 515.006 6.039 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC#N 59679945 DOINXKPQFMDLTF-PPOKSSTKSA-N 518.617 6.246 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 100075517 FOLVRQHTXKWCAN-UHFFFAOYSA-N 550.684 5.853 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 100237395 ZHGKTGATQWZZNS-JNJFLXMWSA-N 547.051 6.443 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 100238162 JFTREESKJKPNFH-KPHTWCJLSA-N 546.620 5.064 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101067226 ONNTZAUUFHYLBT-MTDXEUNCSA-N 578.250 5.203 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240888 JTASCELMQDZYKB-IEQIIXMPSA-N 535.591 6.010 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C2=O)cc1 101339898 BKTZOYOTRWYOSY-JVWAILMASA-N 558.594 5.112 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381246 ZJLLFIRDFSGRBV-PBYQXAPXSA-N 605.449 7.303 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385041 DZKPARJVAYDZIU-JGCGQSQUSA-N 615.513 8.189 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385495 HTUXBXLJKABXMV-MGBGTMOVSA-N 562.622 5.958 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385635 IVKOLQMEIZSJKC-CKGOYRMPSA-N 599.470 7.418 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594854 JLJBRYKTTNSQSG-STKMKYKTSA-N 548.426 7.410 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 102137262 HXFPJQYFJOSVTD-SRZZPIQSSA-N 530.968 5.583 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1 103877766 FXWVIHGDQCDJCO-WKULSOCRSA-N 615.265 6.871 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103879020 FDJCJJABYHIJEL-IPPBACCNSA-N 613.262 6.937 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 109557030 FZGBGBGRHIZTAR-DIBXZPPDSA-N 573.674 8.180 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OC(C)C 150411273 BLOMOMISAILZGM-ODMMIZOMSA-N 632.742 5.552 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1 150497981 YMYYJXLCDAGFGR-FMFFXOCNSA-N 641.127 7.573 50 10 KKGE O=S(=O)(O)c1cc(/N=N/c2ccc(OC[C@H](O)CCl)cc2)ccc1/C=C/c1ccc(/N=N/c2ccc(OC[C@H](O)CCl)cc2)cc1S(=O)(=O)O 159588602 YKVXKZMMZRLTAE-ZFPLBAPCSA-N 765.650 7.138 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccccc3N3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)ccc21 164196032 MFLPLGPPKQTUIP-UHFFFAOYSA-N 700.915 6.640 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1F 164634597 VTVKHVKXOOIVFU-KVSWJAHQSA-N 623.216 6.291 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1cc2cc(Br)ccc2o1 164647569 QIMQTONXKVYSQR-IPBVOBEMSA-N 625.086 7.202 50 10 KKGE C[C@H](Cc1oc2c(c3c(c4ccccc42)O[C@H]2CC(=O)O[C@H]32)c(=O)c1[Si](C)(C)C)O[Si](C)(C)C(C)(C)C 195798645 SXDPQWBXXUTVBE-GHJQATOXSA-N 538.789 6.193 50 10 KKGE COC(=O)CC(=O)C[C@H](O)/C=C\c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1 200413639 NEALNHCVMFMQTQ-URYZVYFESA-N 571.806 7.553 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 205657906 XQIRYJSGNMKHKZ-VRFYBIFFSA-N 554.643 6.356 50 10 KKGE COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(OC)c(CSCc2ccco2)c1 207058621 OHGLQOMYKLLPHU-BKUYFWCQSA-N 544.654 6.782 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214211204 NNMLNXXGAXZJLS-PKAZHMFMSA-N 532.575 5.870 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214227689 ORNDJOUGCAHFFY-VQNDASPWSA-N 592.699 7.664 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 214385310 BNVJHZBJHCBZNJ-CFRMEGHHSA-N 562.557 5.208 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1I 235927654 QVLQZMUQDGCXDQ-SNVBAGLBSA-N 550.879 6.670 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 254522490 HJRPVORWJONIKJ-UHFFFAOYSA-N 706.796 6.863 50 10 KKGE O=C(NN=Cc1c[nH]nc1-c1ccc(Br)cc1)c1sc2cccc(Br)c2c1Cl 254569165 MWFDGPVUNRXEQH-UHFFFAOYSA-N 538.652 6.234 50 10 KKGE CCC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc(O)cc1 254612517 KSYVKQFIGSJYAB-UHFFFAOYSA-N 518.664 5.054 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024921 KCNRWKPWPLPNNJ-FWPYHEDWSA-N 686.698 11.661 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(N)s2)cc(Br)c1OCc1c(Cl)cccc1Cl 256028240 ABFDDBRJNVSNAC-UHFFFAOYSA-N 591.340 5.410 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)OO[P@@](=O)(O)OCC[N+](C)(C)C 263583928 FNTDHZPGGKYWES-WOCVBBDZSA-O 764.103 10.441 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591253 XIJUVZWMRLQMRZ-UNGQWWANSA-N 834.994 7.822 50 10 KKGE c1ccc(-n2c3cc(P(c4ccccc4)c4ccccc4)ccc3c3ccc(P(c4ccccc4)c4ccccc4)cc32)cc1 642813640 BKGIAFPNFXDLNO-UHFFFAOYSA-N 611.665 8.300 50 10 KKGE Fc1cccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c1I 721719077 MDMGVKRZRLSNML-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084101171 YLYDOPQVGADYPJ-UHFFFAOYSA-N 613.523 5.683 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084119641 JCGMLSAHQDLRDT-VWLOTQADSA-N 552.425 5.629 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084280087 OMCMFDKZSTXPIG-VCHYOVAHSA-N 611.150 8.916 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084438418 PFMNTZNCIGJTNP-UHFFFAOYSA-N 617.250 6.608 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1 1084459643 KIZKBNDIGAIJST-UHFFFAOYSA-N 504.472 6.058 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(Cl)cc1 1084555303 GNURJEHIWNWROK-UHFFFAOYSA-N 510.424 7.882 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)Cc2ccccc2)cc1 1084585236 GBFDJGYWVIBSPO-UHFFFAOYSA-N 625.673 5.413 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688927 FTWSRDABYYVHFH-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(Br)c1O 1865689456 SKVMFJMEZUZAGO-JOCHJYFZSA-N 547.384 5.432 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693168 HVHNVKBRQQXXEW-YTTGMZPUSA-N 556.666 7.174 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694936 GACOPPMCJQSCMR-MUUNZHRXSA-N 506.606 5.857 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(Cl)cc1 1865701433 VNZBTTXIYHSBKQ-MHZLTWQESA-N 565.432 6.492 50 10 KKGE CCCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865702854 GTXXQVKBKKJZHS-DEOSSOPVSA-N 513.425 6.104 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704312 SJCSECOWVKSDNO-AREMUKBSSA-N 538.529 6.841 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OC(=O)c1ccccc1 1865704864 GLVDZNAWMGNHGH-MUUNZHRXSA-N 520.589 5.303 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccccc1 1865705352 SXRSXARXRLOZTG-HSZRJFAPSA-N 564.495 5.535 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707363 VIMTWHHQHCGMAZ-HXUWFJFHSA-N 503.361 5.262 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711542 BAVVJKWULJAFTB-HSZRJFAPSA-N 518.495 5.697 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(Br)cc1 1865714154 FDOIPZHVHYAFIX-JOCHJYFZSA-N 501.359 5.718 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714369 IJLZBKORXHZEBY-QHCPKHFHSA-N 513.395 5.837 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1865715007 SQGCSMWKQMLZII-QFIPXVFZSA-N 517.904 5.223 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867215589 ZPFKTYHEHHLOCA-AOYPEHQESA-N 580.548 6.527 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)ccc1OCCN1CCOCC1 1872792216 LTPIOBDYJFWBNP-HAVVHWLPSA-N 503.668 5.891 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1O 1915298570 VDMNSHVIAPRHQH-KRWDZBQOSA-N 502.190 5.059 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)c1Cl 1925587196 HQTRYOCIKWHQDH-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Cc1ccnc(COc2c(Br)cc(Br)cc2CBr)c1Br 1927026573 VHYMTQLAJKPHHR-UHFFFAOYSA-N 528.864 6.151 50 10 KKGE N#CC(=C1N[C@@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 2040498637 ASDUWEGXRQTMRO-TZIWHRDSSA-N 536.398 6.143 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCCC23CC3)c1Br 2053371316 NNJRXKYKIWRFNE-VXNVDRBHSA-N 521.938 7.442 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CI 2065341572 HISNRFHCHAMNRT-MWSYYRJNSA-N 554.673 9.257 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(F)C1 2085500874 SFYMAHPAAXDQRY-RVUVVNSJSA-N 572.730 7.311 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2098112807 ADEHIINOSSLDFJ-MSOLQXFVSA-N 500.662 5.087 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141470367 GOBRHZWDYMSJBX-CHWSQXEVSA-N 540.315 6.976 50 10 KKGE CC(F)(F)CCC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141476223 YABHGDMRONBDHJ-LURJTMIESA-N 592.736 7.998 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2I)c(Cl)cc1F 2142288015 HNSLDYUSLQFOFE-CQSZACIVSA-N 518.389 6.639 50 10 KKGE Fc1cc([C@H](Br)c2ccc(Br)cc2I)c(F)cc1Br 2142289876 VLOIWXAERNKGID-CYBMUJFWSA-N 566.803 6.579 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]2CCCCCC[C@@H]21 2166116781 CDJKPCHJMLPBQD-COMAGPEQSA-N 505.541 7.922 50 10 KKGE COc1cc(C)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 2198738856 FXLQKKOMXDSHMD-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1Cl 2202997894 BGDVXFDJGAOXBH-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206394284 FUFQVDRPKLEEDZ-UHXQQICNSA-N 596.777 7.130 50 10 KKGE FCC12CC([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206403194 XOIQFCASHLYRSU-PNESKVBLSA-N 600.740 6.691 50 10 KKGE Clc1ccc(Br)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408670 KWMVLWOIBLIBII-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1OC 2207271033 FOIZLKQZVKJLBU-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)cc(Br)c1 2225633637 KQZZNQPTQLVQKC-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 2234465341 VRFJPHLDHUKQEW-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)cc1C 2236011559 SNIXKHCZQLVISK-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1c(F)cccc1I 2255902672 SRHCLEXPRNOJAC-ZDUSSCGKSA-N 504.000 6.301 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CCCC23CC3)c1Br 2281364900 PQXDEJAXRSIBPH-IUCAKERBSA-N 594.805 8.143 50 10 KKGE O=CC(=CNc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2cc(Cl)ccc2o1 2297532451 AKUONWPJZJAOJX-UHFFFAOYSA-N 532.803 5.696 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 2297713042 PZKILEBNUPMECZ-UHFFFAOYSA-N 546.549 6.249 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314448944 MACLNPXXASIZNN-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 2314478711 SEGYMPKIMYJRAT-UHFFFAOYSA-N 535.600 6.596 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314610569 JLBMVPHSULWASM-UHFFFAOYSA-N 528.612 6.121 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643350 UZIBZWLAYWVHAV-MGBGTMOVSA-N 647.942 8.461 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C(C)(C)C)C3)cc1 2314737821 WQMFRABIWBEDOV-OAQYLSRUSA-N 508.684 6.800 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1OCc1c(Cl)cccc1Cl 2320727278 JKRJQWKGTCOHIX-MRXNPFEDSA-N 585.513 5.628 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(NS(C)(=O)=O)cc3)n2)cc1 2331345474 NLOGQNRWLJYSDV-UHFFFAOYSA-N 511.669 6.481 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cc(C(C)C)c(OC)cc4C)cs3)cc2C1=O 2331353845 COQDAPQEYLCVDB-KRWDZBQOSA-N 515.635 6.595 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434262 MLGGGJGWFMOOQF-UHFFFAOYSA-N 508.386 7.668 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2333303875 XATATHYCIBFHRN-SXMVTHIZSA-N 580.778 7.609 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2335361867 UTJKYEOCYYNNFE-VIFPVBQESA-N 532.281 7.810 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)ncn2C)c(C)c1Br 2337317819 SPWAAEXBOMUJKL-LLVKDONJSA-N 515.869 5.809 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@@H]1CCCO1 33378990 PMMBBBZYAGCBMG-IZZVBFKTSA-N 504.590 5.320 50 10 KKGE C[C@H](Cl)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1 33859670 PZVHLPMMJIEHBM-QFIPXVFZSA-N 504.074 5.684 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1COc1ccc([N+](=O)[O-])c(C)c1 35148194 XMYFZYHLEJJLAP-PPBVACLCSA-N 506.386 5.532 50 10 KKGE N#C/C(=C/c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 35393528 VKHQYJOCBCCYSC-JXAWBTAJSA-N 505.361 5.059 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 38685474 LPNOGRWJWCBHNC-PMERELPUSA-N 512.606 6.075 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 38686375 SAEVLTXCWISTOB-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 59166397 BDXZMVRJGHXFJT-QAPAXVHSSA-N 508.449 6.363 50 10 KKGE O=C(CCCNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 59507709 HRJIXYGLYOADNU-LQKURTRISA-N 500.824 6.024 50 10 KKGE COc1cc([C@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1OC(C)C 97914792 FQDDHITWVLEYGK-KNFYQODVSA-N 515.094 5.794 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1c(Cl)cccc1Cl 100061953 NOTUIHYDKIYDRV-PGGKNCGUSA-N 531.031 6.201 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Br 100172591 CCNAGNMKMGJLAY-UHFFFAOYSA-N 552.469 6.044 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 100237121 GZBAHPKNUZVRBI-XGUCDPIRSA-N 547.051 6.443 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 100452633 LOVMWXDSYPGZOY-ZZXJHYAVSA-N 596.319 6.908 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 100883610 RQKUACHPEYGBNA-FSGOGVSDSA-N 549.627 6.904 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 101340102 NYYNVSQVKCHFEY-ZVHZXABRSA-N 528.992 5.729 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383306 DALZFNUTJYAXMN-HKBQPEDESA-N 567.041 7.145 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383781 DUKZBILDPORFQX-HKBQPEDESA-N 550.586 6.629 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384232 KUPJEZBLHWUTRY-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OC)c2)cc1Cl 101392755 QAQOHUIJFIFUNX-MHZLTWQESA-N 583.468 7.017 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)c(C)c2cc1Cl 101398543 FLTORVOCCYJFTG-HKBQPEDESA-N 611.481 8.373 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399226 GZBGNQYDRLCAAJ-YTTGMZPUSA-N 621.089 8.036 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399557 OYWKHVZIVQAMNN-WJOKGBTCSA-N 594.570 7.044 50 10 KKGE COC(=O)c1c(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)sc2c1CCCC2 101632319 ICCDZXVHHXECPN-CVEARBPZSA-N 501.240 5.252 50 10 KKGE Cc1ccc(Cc2nc(N3CCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c3cnn(-c4ccccc4)c3n2)cc1 103145664 VSFWYUXVZDPCQK-MUUNZHRXSA-N 537.067 5.343 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 103727706 HBYXBRKBXXILRP-ORBVJSQLSA-N 612.771 7.272 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCCn1ccnc1 105479963 PJMTXRAVJYYZMF-XHPQRKPJSA-N 546.606 5.567 50 10 KKGE Brc1cccc(C[C@@H](Br)c2cc(Br)sc2Br)c1 109869864 LXTBWDKJVTUSDL-SNVBAGLBSA-N 503.879 6.714 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432786 BYACKOIRJGIHFK-OCWBAIOZSA-N 647.942 8.461 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)cc1 150455281 XTKKWNQFNYFKFG-TVCOZYKSSA-N 648.741 5.252 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccccc1F 150462639 GWXSSYHXWUEDGA-HKBQPEDESA-N 655.476 7.668 50 10 KKGE CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC2=NN(c3ccccc3OC(F)(F)[C@@H](F)Cl)C(=O)[C@@H]2/N=N/c2ccc(OCCOc3ccccc3)cc2)cc1 159368762 QCTQTJNTOCQOJL-ZHQUWFOFSA-N 912.516 12.830 50 10 KKGE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170156549 RNGIQPVDHUSLDB-IOEZLCKESA-N 953.243 5.889 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 206505285 QHBVISLIAYNWMF-YBSKPRJTSA-N 520.626 5.713 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214276057 CBJROXFWFIUXAN-VEILYXNESA-N 514.585 5.730 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(I)c(Cl)c2)c(F)cc1Br 232344115 OXQRZKHBEKQIIU-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE CCCOc1ccc([C@H](Cl)c2cc(Br)sc2Br)cc1Br 233251638 BHYNVTYARGJJMR-ZDUSSCGKSA-N 503.481 7.153 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c1 236051026 ROJLIGCAMZEBIY-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Cc1cc(Oc2c(I)cc(Cl)cc2I)c(CCl)cn1 311494441 NYARWLAGCSQKSJ-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Br)ccc2Br)C1 382696497 SEHOHFWLFPYQAB-WMLDXEAASA-N 579.070 5.999 50 10 KKGE Clc1cc([C@H](Br)c2ccccc2I)c(Cl)c(Cl)c1Cl 404847381 LOFPUIULKGGFRA-SNVBAGLBSA-N 510.811 7.389 50 10 KKGE Cl[C@H](c1cc(Br)cc2c1OCCC2)c1scc(Br)c1Br 705477670 URQQEDPDNSPXLA-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)cc1Br 721615083 QXSZDUXOEDUFNM-CQSZACIVSA-N 623.746 7.371 50 10 KKGE C#CCOc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Br 1083947072 HJLABQAANWVOHJ-UHFFFAOYSA-N 575.526 6.971 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083985388 NGGJCBYJYNNSCI-UHFFFAOYSA-N 562.247 7.244 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 1084087793 UXGSHAYTMWXAQO-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 1084116002 HPCWZPYCPZOKFL-UHFFFAOYSA-N 625.962 5.530 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084134982 ABDNPNPIQMJYNF-KGENOOAVSA-N 615.753 6.700 50 10 KKGE O=[N+]([O-])c1cccc(N=NN(c2cccc([N+](=O)[O-])c2)[C@H](Br)C(Br)Br)c1 1084168355 STGYDHWAXBZDQE-AWEZNQCLSA-N 551.977 5.845 50 10 KKGE Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)ccc1Br 1084228162 RPYDYWOFXUGFJE-HAVVHWLPSA-N 503.444 5.421 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 1084353943 QFZNIRQIKIPQTM-UHFFFAOYSA-N 732.800 6.703 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(I)cc1 1084375828 FOBIOHPNEZVFIO-MHZLTWQESA-N 677.377 6.724 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)c(Cl)c2)cc1 1084468751 ZKGHXZBMOPCORB-UHFFFAOYSA-N 577.150 6.327 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653258 ZDKXLIJDCZAKCF-QNOVMCAUSA-N 530.093 6.767 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743881 MTAQNPNJQWZPDY-UHFFFAOYSA-N 514.807 5.404 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746192 CSYRYPSZODGGLS-UHFFFAOYSA-N 501.768 5.122 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N(Cc5ccccc5)Cc5ccccc5)c(C)c43)coc2c1C 1772751827 NLWHCCLTFHOACZ-UHFFFAOYSA-N 573.693 7.193 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)N=[N+]=[N-] 1848357767 KQJXHZRKNUECLZ-YUESQCKZSA-N 601.902 6.130 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2c(Br)nc3c(O)nc(N)nc32)C[C@H]1O[Si](C)(C)C(C)(C)C 1848438198 HKBBGSKYLFVAEC-QLFBSQMISA-N 574.669 5.576 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685417 IVVZJSHOPFTCAV-OAQYLSRUSA-N 507.352 6.212 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OC(C)C 1865695926 AROYVENXJWWZFH-FQEVSTJZSA-N 502.468 5.103 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702842 GLWLMXMDKDWYTJ-HHHXNRCGSA-N 579.915 7.641 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703991 KHIYAKBAOHTQIN-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714073 BYLLNFNAGSZZMZ-QHCPKHFHSA-N 547.930 5.231 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)OCc2ccccc2)c1C 1866128901 RROKSHDWCZFTLV-CPNJWEJPSA-N 553.434 5.898 50 10 KKGE CC(=O)Nc1nc(-c2cccs2)c(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)s1 1866633436 NMVBVBIVCLONDK-OAQYLSRUSA-N 561.714 5.312 50 10 KKGE CC/C(=C\C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867114358 CLEVDATVLNPCEZ-UGOOHZPOSA-N 582.495 6.330 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)c1 1868207634 QAVPJJLFMYMMTH-UMSFTDKQSA-N 555.707 7.545 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc(Cc3ccccc3)n2)cc1 1868208266 XYACVXAGLXBUPL-VWLOTQADSA-N 507.667 6.328 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868300276 ANLRKJXIDMEADD-HHHXNRCGSA-N 522.653 6.327 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccc(Cl)c5)cs4)cc3C2=O)c1 1872818014 IRFVXRSDXQMJSP-LVWGJNHUSA-N 511.990 6.831 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901582658 RGDBMCYHEFFKAW-AWEZNQCLSA-N 506.609 5.761 50 10 KKGE COC1(C[C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924583557 LSTUCDFMGXHWEP-LURJTMIESA-N 511.899 6.431 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1c(Br)sc(Br)c1Br 1924596495 PKEKQTZQILZTSD-SECBINFHSA-N 650.193 7.731 50 10 KKGE CCn1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)nc1Br 1924609455 XYRRYGZRJMDYBT-SSDOTTSWSA-N 542.316 6.343 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924613547 JRVXOMBRUBAXGU-VRRGKTLJSA-N 521.938 7.154 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3O[C@H]2[C@@H]2C[C@H]32)c1Br 1924614576 PLUFDBJZSANFJX-KSIGFXKOSA-N 521.894 5.895 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)s1 1942100874 DEXXCEQLIYJHQL-SECBINFHSA-N 523.935 7.144 50 10 KKGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1991471320 NYSQKNZXRPSGHK-NJZGTNIQSA-N 513.476 5.572 50 10 KKGE C[C@]12C[C@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2023847503 VIERZUYITNZRCP-SWPVVBRQSA-N 509.883 6.041 50 10 KKGE CC[C@@H](C)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781131 CVHFVVPKCJHOEG-HZGVNTEJSA-N 512.305 7.453 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c1I 2036578245 NNEOQYIOXLZNOD-JTQLQIEISA-N 508.354 5.064 50 10 KKGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@@H]1Br)c1ccc(Cl)cc1 2055470982 IRHPAVCNBONRKT-PMACEKPBSA-N 665.212 5.890 50 10 KKGE CCOC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495729 SFASJJJSFMHUSM-NSHDSACASA-N 526.288 6.586 50 10 KKGE CC(C)(C)[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 2111372967 CQTSIWZKKQURRL-WDSKDSINSA-N 547.923 7.789 50 10 KKGE C[C@@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121876 CULGNRIOCHMPCN-LDYMZIIASA-N 501.456 7.531 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@H](CBr)C(C)(C)C)c1cccc(Br)c1 2163058731 NKEGHIBJEAIJTG-INIZCTEOSA-N 506.323 6.228 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(F)c2Br)c1Br 2201070284 NJYRKAGIELDAMG-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCCCC2 2206394060 DABIFXBVAAGVSJ-RMLUDKJBSA-N 550.354 7.987 50 10 KKGE CC1(C)OCCO[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396493 XQANCNMETGSKBN-NWDGAFQWSA-N 556.314 6.211 50 10 KKGE O=C(c1ccc(Br)cc1I)N1CCCC[C@H]1CCCBr 2207268751 VOZNKCIQBQXPLY-LBPRGKRZSA-N 515.027 5.224 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2cc(Br)ccc2I)c1 2232145713 GWWQDANBOSYPEL-ZDUSSCGKSA-N 534.844 7.039 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1scc(Br)c1Cl 2279286714 GCJHSGDOPSIBGZ-LLVKDONJSA-N 503.481 7.036 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Cl)c2Br)c(C)c1Br 2283202232 MWSRGORBBNXVAX-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 2296506748 CIKGZUDFGSJXDF-VWLOTQADSA-N 511.603 5.237 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1C 2296506895 KEBFYLHKGYTIAY-HSZRJFAPSA-N 556.902 7.329 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Br)c1 2297491160 IMVOLSYRWNAAHO-UHFFFAOYSA-N 594.225 7.664 50 10 KKGE O=C(Nc1ccc(Cl)cn1)C(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 2297497935 KIYJPJAEIHIOJL-UHFFFAOYSA-O 563.017 5.939 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(I)c1OCc1ccc(C(=O)O)cc1 2313556723 JNGWLYYVSAEZFA-UHFFFAOYSA-N 635.458 5.714 50 10 KKGE Cc1c(Br)c(C=C(C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 2313557003 QORQIBNBIMDKTP-UHFFFAOYSA-N 524.178 7.702 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 2313567851 MJYIIBCWTBLJPM-UHFFFAOYSA-N 521.367 5.620 50 10 KKGE Cc1ccc(-c2nc(C(C#N)=CC3=Cc4ccccc4O[C@@H]3C)sc2NC(=O)c2ccc(Br)cc2)cc1 2314433672 QGOFITZDPLJXSH-LJQANCHMSA-N 568.496 7.905 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccco3)c2)C1 2314476184 KGVRIJLZZDAGJT-GOTSBHOMSA-N 569.687 5.022 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501382 XCILGEPMKSJQNV-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314616620 FXKZNORCFJOLDB-UHFFFAOYSA-N 638.655 6.779 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)cc1 2331245357 CHEWVDYFIHQVMC-UHFFFAOYSA-N 505.599 6.740 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)sc(C(C)=CC#N)c1C 2331557621 SOGRXIBOIKKPMI-UHFFFAOYSA-N 513.575 5.440 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2scc(C)c2Br)c1Br 2365214759 DLEUMRWNBJUGPF-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE COCc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2368084397 UTQHGBVHEMHLEB-ZDUSSCGKSA-N 612.801 7.429 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1888967 RXIZPUGXHCUJJP-ABPPERTMSA-N 540.447 5.918 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 38688717 WUVQVRJYCPOWIA-MUUNZHRXSA-N 524.573 6.148 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2)c1cccc(C)c1 40815570 ZXUVMATZHQTSCP-DNGXXSEMSA-N 519.645 6.552 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc(Br)c2)ccc1OCc1ccccc1Cl 40911100 VAOKQVSEDDYGEZ-LGJNPRDNSA-N 503.780 5.219 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 58894890 XCWMCDAQHGRYPL-APTYXWLQSA-N 529.008 5.819 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968938 BUMLMCHNHNMUHF-SCIJIFGBSA-N 583.305 6.926 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)=C2N2CCOCC2)cc1 97984018 LJZYUHILMGEOPH-DJEZDUHWSA-N 615.863 5.756 50 10 KKGE N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034010 RACUQJFPKTUYEG-RGEXLXHISA-N 516.538 6.833 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242223 QLTQBMQRUBQADU-NLTRVXJZSA-N 540.472 6.452 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)C1=O 101333254 HEFFVQVIFQFNNO-ZXVVBBHZSA-N 522.649 6.419 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 101336431 VWLRQUYJWZZZBL-AFUMVMLFSA-N 533.563 5.265 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C2=O)cc1 101340264 KJPJPPFKCWVBQC-YCUXBXLJSA-N 584.676 6.015 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 101340736 CFOUGERQWSQBSP-ZVHZXABRSA-N 552.993 6.133 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 101362431 OVBZKIBNVWBBIK-SSEXGKCCSA-N 564.594 5.729 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101372495 ZVVZPCNBJNIFBS-DEOSSOPVSA-N 523.408 5.374 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 101374093 ZBNMUEIEIMUGPH-JGCGQSQUSA-N 556.659 6.590 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379576 QLLJKRBDBHKMPJ-PMERELPUSA-N 538.987 6.122 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399942 KCUKGNGXNOCVSJ-MGBGTMOVSA-N 604.634 7.604 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)CCC3)c(Br)c1 101597630 RWOJQZVBFMSYOG-ZXVVBBHZSA-N 525.359 5.290 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612503 FYLRFWRVZLFJHP-UXHLAJHPSA-N 544.391 5.154 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1cccs1)CCC2 101616083 GGOKTHDBDWBDQZ-JVWAILMASA-N 524.396 5.650 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(Br)c1OC(=O)c1ccc(OC)cc1 102262791 KPDMDEFSSJTYLI-WQRHYEAKSA-N 596.390 5.538 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3Cl)nc12 102685592 VCWBFPPACIIBNC-AQTBWJFISA-N 556.825 5.550 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2Cl)cc1OC 102779746 PBFVCUNDPUBXMK-AREMUKBSSA-N 539.475 5.687 50 10 KKGE Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)c1 103872313 DEPGVSXFFPJRMZ-AMVVHIIESA-N 532.984 5.315 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103878893 MVUPDJCPQYKZLY-OCSSWDANSA-N 581.308 7.140 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 104424632 WIKJOPXTEAJCJK-UHFFFAOYSA-N 546.700 5.929 50 10 KKGE CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 150388756 FQDAXUWKQIIVMM-UHFFFAOYSA-N 674.209 5.169 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150428741 KNJZMIFCJHOGNA-MHZLTWQESA-N 734.847 9.442 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(C)c1Cl 150479302 LABIXROXDPFXDO-WJOKGBTCSA-N 635.931 8.045 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 195864943 INFIIPQULLWGJS-FLZXPFFFSA-N 872.107 8.754 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1 205660690 JOEIILZKAKNNGO-MRYVLCKJSA-N 510.590 6.101 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 205665623 DGROUUQZZLLTGF-WGJRREDCSA-N 528.608 6.719 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 214315552 NNIGDWQOBQXXCL-VEILYXNESA-N 532.600 6.104 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 218694583 WPTTVJLTNAWYAO-RCTAHGCISA-N 505.699 6.379 50 10 KKGE COc1cccc(C(C)=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 254412194 QWKVNCJJMCFEHQ-UHFFFAOYSA-N 513.667 5.873 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nnc(CNc2ccc(C)cc2)n1-c1ccccc1 254757880 AQWQLKSJLCDMLB-LJQANCHMSA-N 579.524 5.590 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OCC 254798613 VULMUQOUFDPFPX-UHFFFAOYSA-N 535.666 5.119 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)C=C[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306147092 STDWDYDOHOANPV-SWCRAELSSA-N 950.167 7.570 50 10 KKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)s1 308415790 MXSSBQZOTSUAEK-LBPRGKRZSA-N 531.889 6.455 50 10 KKGE Clc1cc([C@@H](Br)c2csc(I)c2)c(Cl)c(Cl)c1Cl 404999168 LQVZRWMIRLAIIR-QMMMGPOBSA-N 516.840 7.451 50 10 KKGE C=CCO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccc(OC)cc2)[C@H]1OCc1ccc(OC)cc1 575448977 BYYSROQZXICJTR-DPQMOKPESA-N 698.929 6.039 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 616587565 FQWUSGHMQPXVGW-ZPIXQJPCSA-N 890.093 8.077 50 10 KKGE Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=NC(=O)c4ccccc4)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 616587748 SEPRHMCKFLNBBO-ZDLMBITLSA-N 779.948 7.444 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ncsc2Br)cc1Br 705023288 ZIKGQLWZMFKNJP-VIFPVBQESA-N 504.867 6.223 50 10 KKGE CCOc1ccc([C@@H](Br)c2cccc(F)c2I)cc1Br 721698615 RCLOECHTWWFCLT-CQSZACIVSA-N 513.970 6.076 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1C=NNC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccs1)C(=O)O 1081159634 UDNMDSKTRSWGNM-HSZRJFAPSA-N 551.646 5.016 50 10 KKGE CSc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083960315 OXXNMAWYMIIVRG-UHFFFAOYSA-N 564.132 6.530 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1083994752 FSTURDWYYAOCAQ-RGVLZGJSSA-N 660.737 7.033 50 10 KKGE CCCCCOc1ccccc1C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084154101 VNQNEWPTPSEFOD-UHFFFAOYSA-N 534.454 5.742 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC 1084179740 BFGAGMLVOYULCY-UHFFFAOYSA-N 581.094 5.110 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1 1084191123 QGUFWMJRMOAJGH-UHFFFAOYSA-N 501.739 6.331 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(F)c1 1084213362 CBAKRWLAQBNOFS-NDEPHWFRSA-N 534.628 5.895 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 1084231394 QDIHPSCABYWEQZ-GRSHGNNSSA-N 515.824 7.479 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084263875 ABHVDPPLRWYIDK-UHFFFAOYSA-N 532.576 6.012 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(C)cc3)c2C)cc1 1084351694 QUMMPKQUZNPUGX-UHFFFAOYSA-N 500.462 5.557 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084360911 KMUGRWZTIXPVKQ-UHFFFAOYSA-N 641.591 7.016 50 10 KKGE Cc1ccccc1C(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084450900 QRRFFLGPZQBTRB-UHFFFAOYSA-N 543.652 6.828 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1 1084452258 HFYRJPKHLXGPIF-CIAFOILYSA-N 584.308 7.352 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1614356750 DNKLNMBHQWWNMD-DQWVPQNASA-N 555.315 5.912 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772744653 GNRWTNRJJBXBRZ-UHFFFAOYSA-N 507.550 6.432 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCCc2ccccc2)cc1 1772754899 LQJBVSXMKGPREQ-UHFFFAOYSA-N 508.068 6.327 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848435231 KNWRANWQYPIVSF-ZNSLYCFRSA-N 641.540 5.967 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688031 GYFDGNKSNYQVQR-VWLOTQADSA-N 507.034 5.943 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865692535 MWBBPZIXJFPNNZ-QHCPKHFHSA-N 555.448 5.801 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)ccc1OCc1ccccc1 1865694374 UIMQCJQZKGZXMJ-SSEXGKCCSA-N 571.637 6.139 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695654 RAHSXYPIJDPBDM-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700755 CUVYYDWQKKHQOO-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702475 AXFSFDFBLATSLB-AREMUKBSSA-N 531.443 6.598 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705015 KCTFECJTRBISGZ-VWLOTQADSA-N 531.399 5.984 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705667 BMELQIGZAQRHPP-QHCPKHFHSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706250 RIDLIPRLISWRJV-HSZRJFAPSA-N 531.931 5.526 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(Cl)c1O 1865707342 UWFBHGHVGVEJGR-IBGZPJMESA-N 512.875 5.630 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866676026 REPXCDHVVKHXRR-NDEPHWFRSA-N 584.654 5.066 50 10 KKGE CC[C@@](C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867035594 QZYRPQUOLAATIE-HYBUGGRVSA-N 542.459 5.159 50 10 KKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(Cc2ccccc2)n1)CC3 1868208157 UFQKIKFYVMHXII-UHFFFAOYSA-N 500.631 6.935 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2025778956 BABGMCAXMPYXCX-NSHDSACASA-N 510.289 7.207 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2037838759 HAYVDHBKYABBBI-XFSYVAMBSA-N 645.174 11.764 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Br 2141469408 ANLWWRAWYPUKLK-SNVBAGLBSA-N 726.540 8.807 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(Br)c1Br 2148752463 OJEKHVQQLMRARL-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE ClCCCCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2151780805 UFQBYUZDRNFLGR-UHFFFAOYSA-N 533.433 5.349 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)c1ccc(CBr)cc1 2151789761 NRZDRKNEZXRKFL-UHFFFAOYSA-N 573.848 5.963 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)CC1CCCC1 2179833382 BREDXBMIRBOBJZ-UHFFFAOYSA-N 519.274 5.864 50 10 KKGE CC(C)(C)[C@@H]1C[C@@H](CBr)CN(c2ncc(I)cc2Br)C1 2189902676 YFEGTVLWPYZTIC-WDEREUQCSA-N 516.059 5.332 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)c1 2201068612 GRUKOXMHYYSGSL-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(C)c(Br)cc(C)c1Br 2201073024 XPOORNKDSBEPBC-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(Cl)c1Cl 2203447605 KSRVPIGSYOKYNA-LBPRGKRZSA-N 506.392 6.697 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1Br 2206400769 DXNOCTJSDHBMHL-RJDJZPOESA-N 596.777 6.989 50 10 KKGE Cn1nc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)n1 2214372700 JVGPXNBCJHYNHQ-SCSAIBSYSA-N 529.277 5.255 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 2225632268 BHMMQXWTJRZTRV-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c3c(c2)CCO3)cc1I 2232837794 XLFQKVOMWGZARZ-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1Cc1nccn1Cc1ccccc1 2234072334 YUYDPTXSMCBDFN-UHFFFAOYSA-N 508.645 5.636 50 10 KKGE C[C@@](CI)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385348 GAEHPTDPRDSODB-PXNSSMCTSA-N 500.218 5.390 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(C)c2)c(Br)c1Cl 2283548943 JBFGHKMHLGATPH-ZDUSSCGKSA-N 530.425 6.508 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 2293198203 HUZSWTMLNSBSTB-VWLOTQADSA-N 502.039 5.434 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619870 FETVSOKUEVYXLR-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818676 CTECQHMOPOFQJP-JNENTOQBSA-N 799.190 13.846 50 10 KKGE N#CC(=Cc1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1)C(=O)NCCc1ccccc1 2295692896 UGSAYTYRAXRXBM-UHFFFAOYSA-N 501.417 6.171 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(=O)n(-c2ccccc2)n1C 2296707815 NTRPXMVUFQRVRT-UHFFFAOYSA-N 675.576 7.769 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(F)cc3)c(I)c2)cc1 2313568000 NFKAIXLJMVKVAI-UHFFFAOYSA-N 512.322 5.863 50 10 KKGE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2313683346 XUZWMMCSXCNJQQ-UHFFFAOYSA-N 561.598 5.081 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592130 MIGWWEOJPMQOCB-RUZDIDTESA-N 586.035 7.049 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314616538 CZXJPZZJVFNPID-UHFFFAOYSA-N 548.687 7.033 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314618059 GKTIDULWIHNQHE-UHFFFAOYSA-N 572.665 6.137 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618241 KCYUOQZQSCYXQM-UHFFFAOYSA-N 523.029 5.725 50 10 KKGE COc1ccc(OCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c(C(C)(C)C)c1 2331358984 MNPATNXIRTURIU-UHFFFAOYSA-N 512.631 7.780 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331397169 OZBWTQXFHQXOFC-UHFFFAOYSA-N 501.479 8.375 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331416224 WVDIVZOIYGVWJB-UHFFFAOYSA-N 508.386 7.668 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc(Br)c1O 2331461079 HTCSXANXASCXEZ-UHFFFAOYSA-N 513.457 7.047 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2334620563 HKTLWZPXWQMHHR-VRRBYHOISA-N 536.327 7.453 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(Br)sc2Br)c1Br 2337099086 UKXGOVYLRICSKK-VIFPVBQESA-N 576.732 7.919 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)ccc1Cl 2365189695 XPGXFACARQXOQJ-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2cc(Cl)ccc2Cl)c(C)cc1C 2727704 NPDPIRDUHBDMEU-QHCPKHFHSA-N 503.451 6.547 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccccc1Cl 58892206 CQWOAAUZKDPILF-ZMIIAFDNSA-N 507.030 6.010 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2-c2ccccc2)cc1 100211741 ALWULQYLMCNWAM-MDRHPGBBSA-N 615.730 7.351 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(C)c1 100235651 JJSSTYZZFLIZNC-OTQJEQPISA-N 565.508 6.428 50 10 KKGE COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C 100918972 IKZVEZNFENVAFC-PHXXYIIWSA-N 551.879 6.824 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c(Br)c1 101065542 RHTAOMYUWOIMBD-TURZUDJPSA-N 559.258 6.144 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1F 101338889 ZOVOLAWIRJQJQC-YZSQISJMSA-N 538.623 6.392 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 101368987 GRKUDTVIDSSRJA-NDEPHWFRSA-N 541.401 5.977 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccccc1Br 101370187 IJANNNUWSMSXDU-QHCPKHFHSA-N 556.210 5.414 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379441 QTDUQXDLXRDYGY-PMERELPUSA-N 573.432 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381031 MHRRFYJJAOZMHH-XMMPIXPASA-N 612.482 6.303 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384615 NAHUHPWLMMRQSV-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)c(OCC)c1 101389160 FIWRPMHASGESLI-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCCC(C)C 101393280 QVYWPQRDBNGJTA-MHZLTWQESA-N 575.086 7.426 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101395995 XGHCIHXVECAEDW-JGCGQSQUSA-N 594.708 8.153 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101614476 BGXRIJBRMAJAHV-JVWAILMASA-N 537.197 5.742 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 102851561 SULGTTMWZJGNQF-PDGQHHTCSA-N 591.270 6.203 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1 103789619 DZDQMTXXRXHDDT-XQNSMLJCSA-N 532.438 5.292 50 10 KKGE N#C/C(C(=O)OCc1ccco1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 104345293 ASENMQMRSUMHLZ-HBFAPYFHSA-N 554.378 5.120 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 150441924 XDAUGEZJJVKJOJ-PMERELPUSA-N 651.930 8.070 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2cc(Br)ccc2N1CCc1ccccc1 163373700 NFYWYLSVPQPZFJ-DVRIZHICSA-N 690.254 6.598 50 10 KKGE S=C(SSCCCCCCSSC(=S)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 164285448 ZEUAKOUTLQUQDN-UHFFFAOYSA-N 693.132 11.284 50 10 KKGE CCCCC1=C(c2ccccc2)[P+](c2ccccc2)(c2ccccc2)[C@H](C(Cl)(Cl)Cl)O[B-]1(CCCC)CCCC 195803886 YBNXWCFKIYSNLO-MGBGTMOVSA-N 615.862 11.068 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 206499002 JTTARHVVRXJQHO-HRECDFGPSA-N 513.546 5.372 50 10 KKGE CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 229790314 PDBJUWKMSORENK-LAEXENIMSA-N 658.644 10.881 50 10 KKGE biogenic CCOc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1 233790363 SGPVSIOPBTZITO-LBPRGKRZSA-N 533.905 6.919 50 10 KKGE Clc1ccc(Cl)c([C@H](Br)c2cc(Br)ccc2I)c1 236060883 KHZFCUWYYGRKIZ-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 252592178 BDJBJOYPVKHGOO-UHFFFAOYSA-N 520.383 5.454 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 254395763 VUSINAMCQQSPSO-UHFFFAOYSA-N 513.667 5.791 50 10 KKGE CCCCCCCCCCCCC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)N=[N+]=[N-] 306146260 DFUOSUDIKSYZMW-RROSILNLSA-N 523.879 9.902 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)OCCl)C1 616578943 WFEKKNWHTUYAKR-MHZLTWQESA-N 515.006 5.034 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)OCCOCCOc2cc(P(c4ccccc4)c4ccccc4)ccc2OCCOCCO3)cc1 642814439 YLWPVVVLVZHOTL-UHFFFAOYSA-N 728.762 6.465 50 10 KKGE Cc1sc([C@H](Br)c2scc(Br)c2Br)cc1Br 705409658 NNVWSZCOSBHXIF-VIFPVBQESA-N 509.908 6.890 50 10 KKGE O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237176 AUBCWFYFBFCJBN-RUZDIDTESA-N 589.979 7.419 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N 1084181620 FAKYGASRNZKVLT-UHFFFAOYSA-N 554.650 7.066 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2)cc(OCC)c1OCC 1084335882 TUULHZZWSSAHRW-UHFFFAOYSA-N 664.797 8.501 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 1084436933 UZMAASNICZQFEC-UHFFFAOYSA-N 576.672 7.263 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084534761 CYZJJKAPXUYGPC-UHFFFAOYSA-N 566.039 5.001 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084562848 WGWASZBOOQMPMI-OEAKJJBVSA-N 653.318 5.760 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl 1084578983 ODVAOBFVRZCCNO-UHFFFAOYSA-N 638.993 8.940 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 1084618380 VWFXVYCXBYGCCC-UHFFFAOYSA-N 505.401 6.915 50 10 KKGE CC1(C)OC[C@H]([C@@H]2/C(=C\C=O)[C@@H](OCOCc3ccccc3)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O)O1 1307286688 NKOQYQIQXGIMOO-HDMHHZOASA-N 642.865 5.316 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4cc(Br)ccc4c3)cc2)cc(OC)c1OC 1772720625 UNRHJYOSYQMYHL-UHFFFAOYSA-N 593.430 5.376 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2)c1ccccc1 1772749743 QISIOJNHNOSFOX-UHFFFAOYSA-N 507.406 5.244 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)cc1 1772750971 DZCFGPLGHYPJDI-UHFFFAOYSA-N 510.594 6.038 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc6ccccc6c5)c(C)c43)coc2c1 1772751374 AAJSYBNDUWGGIR-UHFFFAOYSA-N 520.585 6.723 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 1772753705 DASFVLODBFBTPI-UHFFFAOYSA-N 512.242 5.700 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772755061 KCMMUFZRBRKFEN-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]2O[C@@H](c3ccc(OC)cc3)O[C@H]21 1775963165 CBYATNWDDXHUQS-UULWKUMPSA-N 781.541 9.191 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OCC 1865689185 MBAWMMFMQUOWGC-VWLOTQADSA-N 557.448 6.317 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689290 ORQMJPKQAJQQNZ-AREMUKBSSA-N 562.457 6.332 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(Cl)cc1 1865694022 TXKGVTHBIFLSKY-AREMUKBSSA-N 557.050 6.276 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697427 SEQZTFGVCYRGHE-QFIPXVFZSA-N 523.431 5.521 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700980 ITLLHRIIOODQIC-RUZDIDTESA-N 503.389 6.285 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865703452 VWLNDVDJQKJBLD-MUUNZHRXSA-N 561.469 6.743 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704719 CJVDDHLCVTWXGU-SANMLTNESA-N 508.553 5.460 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704814 FJGKJPLQBRIFPZ-MUUNZHRXSA-N 559.025 6.689 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865710694 FKXSJZIYTKCPBH-DEOSSOPVSA-N 514.969 5.437 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868301111 KUROCDNREFGMPK-AREMUKBSSA-N 510.598 5.585 50 10 KKGE Cc1nncn1C1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868415231 UBLMOQFKOVNDTA-UHFFFAOYSA-N 503.035 5.855 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](c4ccccc4)Cc4ccccc43)n2)c1 1868505954 OHRRXAGQSKAYQV-SANMLTNESA-N 541.680 7.947 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CC4)CC3)n2)cc1 1868545314 VGOFMFNBQYKABO-UHFFFAOYSA-N 512.683 5.816 50 10 KKGE N#C/C(=C(/O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2cccc(Br)c2)cs1 1872747366 ZIIAHKQNCJNWHN-SDXDJHTJSA-N 502.777 5.444 50 10 KKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872750282 ABDUXYOYABKFDG-GHIWRQRASA-N 501.564 5.085 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915298527 UQBIQFXLRDKZRH-SFHVURJKSA-N 518.087 6.274 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1sc(Br)c(C)c1Br 1922897938 QWSCTGXOCSRKMA-LLVKDONJSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924616821 TYTMECAIBWXZEU-MRVPVSSYSA-N 600.765 7.730 50 10 KKGE CN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H]1Br 2025781308 AMZYKGBQVCYLRJ-XOGFGSHOSA-N 555.728 5.781 50 10 KKGE Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(C=C(C#N)c4nnc5n4CCCCC5)cc3)cc12 2053613222 YXZXMZLZIPGXSU-UHFFFAOYSA-N 520.618 5.997 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)c(Br)s1 2054161752 NAXQGOYPKRAWKF-QMMMGPOBSA-N 509.045 5.387 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)ccc1OC(=O)c1cccnc1 2059848671 BOWQGLCXQGPQEW-UHFFFAOYSA-N 537.601 5.242 50 10 KKGE O=C(N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2080751933 YJXZURCQRJFSEN-QNGWXLTQSA-N 729.641 9.086 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cscc2OCc2ccccc2)c1Br 2081058174 JFKZUXUODWSIJT-FQEVSTJZSA-N 545.134 7.953 50 10 KKGE Clc1ccc(I)c(CC[C@@H](Br)c2ccc(Br)cc2)c1 2113494187 XMLAWDVJEUZQDQ-CQSZACIVSA-N 514.426 6.776 50 10 KKGE COCC1(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468977 PSJTYUMBINWYCU-SECBINFHSA-N 584.766 6.989 50 10 KKGE Cc1cccc(COc2c(Br)cc(Br)cc2CBr)c1Br 2144187527 OLAIRNSTYOUKOH-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE COc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)cc1OC 2150344211 FYCYBIJMPLUDMA-NSHDSACASA-N 549.904 6.537 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397576 KWWLAZZYHLSCTG-NWDGAFQWSA-N 560.296 7.842 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 2214321527 AITRVSMUAAUDPZ-JKMUOGBPSA-N 511.899 6.429 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1cc(C)ccc1I 2240997362 SRUUHZXJPJWESE-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)sn2)c(C)c1F 2253515202 ADWIXOICPMSNOF-NSHDSACASA-N 504.988 5.750 50 10 KKGE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 2293934558 RCHXBSVHIDSVPW-UHFFFAOYSA-N 551.669 5.204 50 10 KKGE COc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2295330840 AKBQPDXJHIKVDO-AWEZNQCLSA-N 527.876 6.661 50 10 KKGE Cc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc(C)c1Br 2295331702 MUALGPLMTUIDRO-HNNXBMFYSA-N 525.904 7.270 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1cc2sc(Br)cc2s1 2295510274 WWKWXSOBYUIDEV-CYBMUJFWSA-N 503.025 7.250 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507047 QPKLDFXUOKSIBW-AREMUKBSSA-N 532.065 5.442 50 10 KKGE Cc1[nH]c2ccccc2c1C=NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1Cl 2296736749 WZIFAZYRRBJABZ-UHFFFAOYSA-N 500.002 5.117 50 10 KKGE Cc1c(C)c(C)c(CSc2nnc(C(C#N)=Cc3ccc(Cl)cc3Cl)n2-c2ccccc2)c(C)c1C 2297565324 PKHBHVGLGQKRDW-UHFFFAOYSA-N 533.528 8.473 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567084 FXCXXFNCRPOAIU-UHFFFAOYSA-N 580.866 5.666 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570942 JQGBBRBWCCSQMK-UHFFFAOYSA-N 678.151 8.638 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593696 REQONEPKGBBMIU-WXTAPIANSA-N 566.510 6.696 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 2314634343 GFOLYQQHVHUXQU-PMERELPUSA-N 579.480 7.264 50 10 KKGE C[C@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 2324599274 JAGLAIUCWLVXMM-VWLOTQADSA-N 504.678 5.557 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)ccc1OCc1ccccc1C 2331473408 UNIWSKTXJUPZKY-UHFFFAOYSA-N 512.631 7.178 50 10 KKGE Fc1ccccc1[C@H](CI)OCc1ccc(I)c(Br)c1 2377611389 IRNDEMQZIXJAKZ-HNNXBMFYSA-N 560.970 5.886 50 10 KKGE CCN(CC)C(=O)c1cc(NC(=O)[C@H](Cl)c2ccccc2)ccc1N1CCN(c2ccccc2OC)CC1 749823 JLKXPMQHRIMYIL-MUUNZHRXSA-N 535.088 5.422 50 10 KKGE O=C(CCCCCCCC(=O)N/N=C1\CCCCc2ccccc21)N/N=C1/CCCCc2ccccc21 20072887 ZKVKPTXFUPQISR-VPROMNBDSA-N 500.687 6.211 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 38606857 TXPRPJOSBOENJH-CVKSISIWSA-N 504.546 5.242 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1 38650834 QEJBIKYQVMBRMP-LJAQVGFWSA-N 512.606 6.338 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651514 QIELIABEJDGWOY-QKFKETGDSA-N 509.331 5.179 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 38685236 ZLHYQYFPSWPQPE-DFXYEROKSA-N 526.633 6.580 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)c1 38685247 YPYIPMWVTKOGPF-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 38686449 QLGWKSYCXKVWER-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 100059779 UDWCLCDFGOKZGG-UHFFFAOYSA-N 596.769 5.034 50 10 KKGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100079511 GGIUDTLBUSPIIJ-UKTHLTGXSA-N 613.331 5.632 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100163404 GBMWLBWAPVTOAX-UHFFFAOYSA-N 550.247 5.384 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)cc1 100165384 HIBTWDSFVXUYKU-UHFFFAOYSA-N 546.476 5.110 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 100238087 XLJHRBFCSJPCNP-POBUXNOSSA-N 531.436 5.944 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246482 RVYSJCJUJGQICE-KVILUOORSA-N 551.590 6.341 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1C 101379948 YGPJLEIDVANERP-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381477 BMFACYLXUFDTTL-PMERELPUSA-N 538.987 6.122 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101391943 HFVKTMXBNATTNA-FQEVSTJZSA-N 596.706 8.606 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1Cl 101394075 HHCXSYHUCZUIGT-DEOSSOPVSA-N 588.285 7.372 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399204 BNKCSFDOBGEIGS-HKBQPEDESA-N 611.025 7.559 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 101598557 MEKVQAJVVZSELF-KBVAKVRCSA-N 524.326 6.636 50 10 KKGE CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](Cl)C(=O)C(C)(C)C)c1 103529709 AYUXXOYJHBOGHL-NDEPHWFRSA-N 585.295 8.388 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 103742079 PVNZHLXAHZUILX-GUNDDFSMSA-N 532.463 5.500 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 103765850 TXLXVTMLPLQZLL-QINSGFPZSA-N 529.445 7.305 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)c1cc2cc(Br)ccc2o1 103879636 MNPWBUPPOIUBDY-ORBVJSQLSA-N 562.203 6.574 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150463861 NEXXZWKKAHIAGR-LEWMOKLLSA-N 648.741 5.253 50 10 KKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205775637 WAONGLGTIFMVPI-OLDVOZSVSA-N 632.742 5.491 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)cc1 205781246 XTKKWNQFNYFKFG-NGUGDGFLSA-N 648.741 5.252 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)cc3c2OCC3)c1I 236009918 RISLIRSZMKBXBH-AWEZNQCLSA-N 507.991 5.781 50 10 KKGE O=C(CSCc1ccccc1Br)NN=Cc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1 252603429 FQYAVIGTTBMDMM-UHFFFAOYSA-N 648.446 5.979 50 10 KKGE CCCCCCOc1ccc(OCCOc2ccc(C=NNC(=O)c3ccncc3)cc2OCC)cc1 252635706 WZPDRNHIMIWOKO-UHFFFAOYSA-N 505.615 5.661 50 10 KKGE CCCCCCCCCCCCCCCCS(=O)(=O)N(N=c1cc(-c2ccccc2)n(C)c2ccc([N+](=O)[O-])cc12)C(=O)OCC 254295473 OTKPXQIVNDKLLG-UHFFFAOYSA-N 654.874 8.839 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254495421 VJJLRZIUDOUWSF-UHFFFAOYSA-N 540.692 5.252 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)s2)cc1 254742793 UKDMSQDREHWSEK-UHFFFAOYSA-N 520.705 5.960 50 10 KKGE CCOc1ccc(OCCOc2ccc(C=NNC(=O)c3cccc(S(=O)(=O)Nc4ccc(OC)cc4)c3)cc2OCC)cc1 254835457 GCPUJONXOCUZKT-UHFFFAOYSA-N 633.723 5.515 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 256020050 UFLQEBNPWKEUEY-CFKSZREYSA-N 698.496 7.548 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C\c1ccc([N+](=O)[O-])o1 306146553 JTUXTPWYZXWOIB-KMMIZONMSA-N 630.445 5.580 50 10 KKGE Clc1cc(I)c(Oc2nc3sccn3c2CBr)c(I)c1 380424166 YEJMLZALNMTQEQ-UHFFFAOYSA-N 595.425 5.946 50 10 KKGE Cc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CBr)cc1I 382705971 SVGIUOXSQPODAO-ZWKOTPCHSA-N 514.201 5.347 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)cc1Br 721690244 CPNOLJQSGLWOSS-ZDUSSCGKSA-N 562.840 6.748 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 1084212231 XHBJWNWRPKXDMV-JOCHJYFZSA-N 515.379 5.140 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084288626 NLSXBBWILPYJBT-UHFFFAOYSA-N 571.699 5.627 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C 1084332224 SNUKMTKGNQCRJF-UHFFFAOYSA-N 566.952 7.875 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(I)c1 1084458261 XTEZZLSPOKHXCS-UHFFFAOYSA-N 520.823 6.391 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)c1C 1084472798 JLZYYUXPXYMXPE-ODLFYWEKSA-N 530.249 7.497 50 10 KKGE CN(/N=C1/c2ccc(F)cc2C[C@@H]1N(C)C(=O)c1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1614300982 DQVQVGVZTOOOCF-LBZFMLQPSA-N 532.469 5.428 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357460 VHODABBAZYOFAR-DQWVPQNASA-N 555.315 5.912 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653285 NDKRRIMDKUBSAI-LWGUKUHOSA-N 511.647 5.616 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1)CCC2 1772744943 OOJZRJFSYXWCFC-UHFFFAOYSA-N 513.981 6.756 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750246 YCILKWIHVJCVFP-UHFFFAOYSA-N 555.245 6.690 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5)c(C)c43)coc2c1 1772751932 JVWSNZLQHRLSRR-UHFFFAOYSA-N 547.011 5.079 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)Cc3coc5c(C)c(C)ccc35)CCC4)c2n1 1772752092 UJPCZPQFPPZJTD-UHFFFAOYSA-N 535.600 6.426 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 1772756098 YTRWPZAKIFBYGA-UHFFFAOYSA-N 518.455 6.279 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865687025 HRWYHFHBTPNQHM-NDEPHWFRSA-N 571.077 6.997 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1Cl 1865687933 DHGWHLDGOZFKIX-MHZLTWQESA-N 519.004 6.632 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865691687 YYNKYGMWBCTDIL-LJQANCHMSA-N 521.326 6.040 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865694009 NZOQHZMAJDEMPH-RUZDIDTESA-N 531.443 6.912 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865697177 ORRMLETVWWPEAE-XMMPIXPASA-N 573.447 5.936 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCc1ccccc1C 1865703409 VIFSNNGUSFATGR-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704346 TWNMYNKXOXIHCA-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706868 HMJKRWLZUXHQMH-MUUNZHRXSA-N 524.068 6.723 50 10 KKGE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711525 AREYWQGUSJHTKU-WJOKGBTCSA-N 541.611 5.952 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Br)cc3)nc(Cc3ccccc3)n2)cc1 1868207127 HBHWGDUMZAOZCD-VWLOTQADSA-N 556.533 7.358 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(OC)c1OC 1872759062 CCNYAAIURZZTNV-SDXDJHTJSA-N 520.394 5.365 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(Br)c(C(F)(F)F)c1 1916352636 BMDSHXJNZKQNRM-HNNXBMFYSA-N 509.160 5.520 50 10 KKGE CN(Cc1cc(Cl)ccc1I)C[C@H](Br)COCc1ccccc1 1916371198 WWVIPEXQGPDLLQ-INIZCTEOSA-N 508.625 5.357 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 1923073440 WXWFLHRJBKFYOD-UXCLJVHYSA-N 505.541 7.969 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)ccc1Br 1924042000 YGAWXBAOHZCDTG-XLKFXECMSA-N 512.865 6.609 50 10 KKGE O=C(c1ccc(Br)cc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2026219564 XGYOIYONBIEMLR-SFHVURJKSA-N 563.071 5.870 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1I 2033643676 UEGWIHYMJDLJAN-SNVBAGLBSA-N 502.013 5.210 50 10 KKGE COc1cccc(N2C(=C(C#N)c3nc4ccccc4s3)SC(c3ccc(C)cc3)=C2c2ccc(C)cc2)c1 2053624627 OVQPOXNIXASWID-UHFFFAOYSA-N 543.717 8.893 50 10 KKGE COc1c(C(C)(C)C)cc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)cc1C(C)(C)C 2080745692 SPPWTTTZCGMIIW-NLZDTVHJSA-N 627.875 8.532 50 10 KKGE CC1(C)CC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493884 IGKTVWWLWITZAQ-SREIQFSDSA-N 524.316 7.453 50 10 KKGE FCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085494091 KBPAKOIBWBFSGN-LLVKDONJSA-N 572.730 7.312 50 10 KKGE C[C@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085494670 NCJSKIUVVAKAST-CLZZGJSISA-N 534.258 7.308 50 10 KKGE Brc1cc([C@@H](Br)c2csc(Br)c2Br)cc2c1OCC2 2093942378 QOUYJYOXJFLBSE-SNVBAGLBSA-N 531.889 6.455 50 10 KKGE Fc1ccccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468016 FWYJOJWUCPDUKU-LLVKDONJSA-N 580.709 7.360 50 10 KKGE CC1(C)[C@H]2C[C@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206396163 SWMDDKDLRZUXLG-FICLDZOFSA-N 550.354 7.699 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1cc(I)sn1 2233170121 ZRVJOURJSBDTQA-ZDUSSCGKSA-N 531.051 6.127 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1 2240827395 WSLHTZXNUDKMAZ-CQSZACIVSA-N 531.839 6.606 50 10 KKGE Cn1ncc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1I 2272726724 PWKQVKRJLFZUEP-SECBINFHSA-N 526.344 5.156 50 10 KKGE CCc1nc([C@@H](Br)c2ccc(OC)c(Cl)c2Br)c(Br)s1 2283547413 PZWHJEPUNVGLRM-JTQLQIEISA-N 504.469 6.377 50 10 KKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Br)c(Br)c1Cl 2283555766 TXTPVWNTYVGJIE-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)c(C)c1F 2283567989 ILACEGYFNBTXDO-CQSZACIVSA-N 532.416 6.947 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506738 CFQGPYXFJOZPIB-QHCPKHFHSA-N 534.435 5.523 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)c1 2296507253 ZYWGZBZDDRSFHH-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 2313571516 YDLZXNWURRPKPQ-UHFFFAOYSA-N 576.230 6.618 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 2313630929 WOPASKVQVUAPOR-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314610852 NBJOVNSQTWLPMY-QFIPXVFZSA-N 577.084 7.162 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314617239 UKCWEKNQZGXFSL-UHFFFAOYSA-N 540.547 5.325 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314619622 CMTUICQRWRJAES-UHFFFAOYSA-N 594.646 7.050 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 2314643304 PARPUYFXPAJXQZ-MGBGTMOVSA-N 597.042 7.294 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Br)cc1Br 2314737561 WZYCINBVLSQEDQ-UHFFFAOYSA-N 590.224 5.021 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 2331249132 UJEGXOOJVFEXBZ-RUZDIDTESA-N 507.571 5.519 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)CC1=O 2331353987 WCDTYRQWXRHCRG-OAQYLSRUSA-N 515.679 6.967 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 2333303762 SHQYFAOPZQJDCW-GMVJNNPSSA-N 582.750 6.740 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2csc(I)c2)c1Br 2339652541 AKAVUBDJLQDZBQ-LLVKDONJSA-N 580.905 6.679 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(C)nsc1Br 2339655076 XFCNDKFXIMLUQM-SECBINFHSA-N 536.884 6.671 50 10 KKGE CC(C)(C)[C@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2349836875 OWENRFDDAONTDX-SMDDNHRTSA-N 501.044 5.438 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2361200002 FWSDLYKCRAKQLU-UYAOXDASSA-N 500.221 7.680 50 10 KKGE FC1(F)C[C@](CBr)(Cc2ccc(I)c(Br)c2)C12CCC2 2377336318 AJMHCPXUEYKXDT-ZDUSSCGKSA-N 519.993 6.187 50 10 KKGE CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(F)cc3)c2)cc(OCC)c1OCC 10040344 RLKGNVYMIRSOQX-OCSSWDANSA-N 510.562 5.373 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766857 BDXXHZCBNOIFON-IBGZPJMESA-N 525.443 5.424 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)c(=O)n(-c2ccccc2)n1C 29491583 NORASEBPJXURSX-RRAHZORUSA-N 641.131 7.115 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(N3CCC(Cc4ccccc4)CC3)nc12 33366295 PJCWOMNJTFLYRB-CLCOLTQESA-N 517.658 6.136 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1C 33780245 LQVUCWJUEZDXGI-HAHDFKILSA-N 512.635 6.189 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 38660008 CDSIPUPYMSLVEG-SSEXGKCCSA-N 518.569 6.020 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 38660411 DBEFFXIOLSSYBE-SSEXGKCCSA-N 528.605 5.495 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38684685 FCLOYWMIUPVQIE-WHLCRQNOSA-N 516.569 5.842 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 40890570 AIKPABHLORTEGA-CPNJWEJPSA-N 516.808 7.484 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(/C#N)C(=O)Nc3ccc(SC(F)F)cc3)=C2N2CCOCC2)cc1 97984613 LPUVZZZJMYEFTJ-WPONEWDJSA-N 564.702 6.700 50 10 KKGE COc1cccc(P(c2ccco2)c2ccco2)c1-c1ccccc1P(c1ccco1)c1ccco1 100413085 VSMUWFHOFNFOLM-UHFFFAOYSA-N 512.438 5.251 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 100452405 LKDVRWCXMUZTOZ-FHGMEZPKSA-N 557.488 6.874 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccccc4)s3)o2)cc1 100919870 LSAYKHNQIXLSGH-LGUFXXKBSA-N 559.647 7.872 50 10 KKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2c1 101134972 OESVLPRGDMQSGR-UHFFFAOYSA-N 561.469 6.547 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101336930 FVMIHMARERAGTL-OTUOEDBFSA-N 506.606 5.236 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101370686 YWDSISVDLQPMCD-NDEPHWFRSA-N 549.023 5.957 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 101375572 YLSCCXGWKKRURI-GDLZYMKVSA-N 547.051 7.135 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379409 KAJYZSVOFBUXCD-WJOKGBTCSA-N 553.014 6.294 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380567 DXRWGNNUMAMLCS-PGUFJCEWSA-N 582.631 7.360 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383015 SIKWOGTYOBVZPU-YTTGMZPUSA-N 567.041 6.684 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386196 UKCWZFAWODCFRL-JGCGQSQUSA-N 599.039 6.139 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1F 101386953 YKTGNHVOOQAKHQ-GDLZYMKVSA-N 567.529 5.759 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1F 101386957 YKTGNHVOOQAKHQ-LJAQVGFWSA-N 567.529 5.759 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101397116 BQQPUBQSHKMWAG-RUZDIDTESA-N 545.389 6.340 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610213 DWNQHPRAGQDIAF-JGRMKTMXSA-N 589.479 5.958 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615125 PCBREZOTQZBAAU-VWJSQJICSA-N 530.396 5.950 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Br)cc1 101906091 BRAYMOLKWVUMDX-ODLFYWEKSA-N 556.254 6.653 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 103735191 BWVXKYPZAAHISB-JSLDZMDGSA-N 581.514 5.561 50 10 KKGE N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)NCc1ccccc1 103882330 DNEAXYGNIMYBPE-GRSHGNNSSA-N 544.218 6.153 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 128869987 ZLBWVZSCHPRUPV-NSHDSACASA-N 519.878 6.529 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433637 PFZRSASAHYFLOX-JGCGQSQUSA-N 631.512 7.807 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150442104 GDITTYMUIVHPLP-UMSFTDKQSA-N 635.116 8.427 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150482182 MNRHVHCVAFONLR-PMERELPUSA-N 670.376 9.105 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497368 PTIOXKLEHRPYRK-FDAWAROLSA-N 655.582 7.832 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 161120957 VOYRHSOJYIPXLS-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Cc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)c3cccnc23)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 164597275 VCNLJAYBIDNDMY-KNBZMSCYSA-N 644.276 5.093 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1 164610885 QZSXCNPLUCDIND-VFLNYLIXSA-N 663.262 6.240 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC 206260953 JYNZDNDPWWIKNA-AQTBWJFISA-N 513.641 5.213 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(I)ccc2Br)sc1Br 236038782 MPJKNOTWQDQYSY-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 253573506 RMMGYUNZEBKFLF-NJZRLIGZSA-N 528.657 6.325 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1 254301566 TXADQCAOTSBSJF-HXUWFJFHSA-N 605.713 5.537 50 10 KKGE O=C(CCCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254522127 ZGLKGDMNTKFKPW-UHFFFAOYSA-N 604.663 5.676 50 10 KKGE Cc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc1 254620607 UVXUPXSKNOESSY-FQEVSTJZSA-N 610.525 5.732 50 10 KKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2)sc1Br 382008381 SVOXNMGFYWJYQE-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE Clc1cc([C@H](Br)c2cccc(I)c2)c(Cl)c(Cl)c1Cl 404891528 XAZAVDAYGIFUER-SNVBAGLBSA-N 510.811 7.389 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616670423 GAUFSAPMCPJOJZ-SANMLTNESA-N 510.795 6.922 50 10 KKGE Cc1ccc(CCl)c(Oc2c(I)cc(Cl)cc2I)n1 688764712 CVVPRPMBZJTTHB-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1Br 691636498 QLPDLKUGOVKCQH-LLVKDONJSA-N 522.352 6.470 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(F)c1Br 691637141 UQHFUGQQULXXEJ-NSHDSACASA-N 519.803 6.737 50 10 KKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721574487 YWTUXOGPENKLIT-CMPLNLGQSA-N 515.027 5.222 50 10 KKGE O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238607 WGKOAYGFBWHWLA-VWLOTQADSA-N 544.982 7.511 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C 1084001097 NRFYGQCOVVFONY-JGCGQSQUSA-N 536.701 6.249 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 1084113956 WZUOXOMUHMEMRT-SEHWEYEPSA-N 617.753 6.478 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084177263 PHMKVUSZDZGDLP-UHFFFAOYSA-N 543.476 5.470 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)c2cc3ccccc3o2)cc1Br 1084218967 OQKFOYUYTSNRGK-UHFFFAOYSA-N 508.759 6.063 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1Cl 1084276394 NSKSVJXKJRNFFM-XQNSMLJCSA-N 536.459 6.227 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 1084389474 VUVPCYRWLGMLRL-DEOSSOPVSA-N 718.757 6.491 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 1084482382 YFUMCZLYIHBRPP-UHFFFAOYSA-N 551.650 6.810 50 10 KKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)c1 1772745089 RTJGUCUUVHSXCC-UHFFFAOYSA-N 505.578 7.035 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc(Cl)c3)CCC4)ccc21 1772746074 OTVSDJXOTHCVFD-UHFFFAOYSA-N 539.035 7.092 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746857 IAJXNACHOZIVEN-UHFFFAOYSA-N 558.248 5.592 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749642 NVNDXDXKWUGSIJ-UHFFFAOYSA-N 519.907 5.748 50 10 KKGE CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](Cl)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440196 FMJCESRGYYDTJI-SKVCZSCRSA-N 719.476 8.807 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865686918 FFGDWNAKSPLYQC-NRFANRHFSA-N 532.950 6.340 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688598 WBOFOGVTFOEGLH-FQEVSTJZSA-N 529.822 5.563 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692048 HYKDPBZKDMYBPG-RUZDIDTESA-N 528.996 5.496 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1 1865694675 ZAJIFXVAOKPRBL-MHZLTWQESA-N 512.997 6.030 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865695369 CALRKPLKRDPHAT-VWLOTQADSA-N 507.034 5.943 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696727 JPWGKNCWJJZUSL-GDLZYMKVSA-N 538.623 5.871 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCCCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696800 KSOVYHPGWLHZHT-HHHXNRCGSA-N 522.605 5.334 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700877 GTWANWLEZDFOSD-XMMPIXPASA-N 528.996 5.496 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703600 CHRUWLDFVZMLBB-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703838 GQLLAYDINXBPDU-PMERELPUSA-N 547.058 7.098 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703963 JPKAPUXBTMSOFK-SSEXGKCCSA-N 547.058 7.098 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705421 VNMZEXHEQULCQE-SANMLTNESA-N 527.024 6.266 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1 1865707239 RNGFGHKWYNAETI-WJOKGBTCSA-N 511.629 6.579 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)cc1OC 1865709143 OZOSEBQSIRSVIY-XMMPIXPASA-N 569.584 5.145 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866666134 UTOLMQLHIOAMEF-RUZDIDTESA-N 517.010 5.915 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866760747 NPWDHKUGKNEIGW-SXOMAYOGSA-N 533.669 6.212 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866916995 AKFCERGUAPKTGD-KAYWLYCHSA-N 548.709 5.420 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867286702 HEGDGBXCAOSOCX-HXUWFJFHSA-N 555.607 5.597 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)nc(-c3ccc(F)cc3)n2)cc1 1868455725 AIVCNZKDEJPDQR-UHFFFAOYSA-N 559.692 6.290 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H]1C 1868456651 SKMOHOKUNVQWJW-PMACEKPBSA-N 506.651 5.535 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(F)c(F)c2)cs1 1872751432 HPDNUFYAJAEUSA-RGEXLXHISA-N 511.775 7.156 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872794004 FKVCDMCHDARSIN-CIAFOILYSA-N 525.512 8.140 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)cc1OC 1872794162 MTLFPPDLBXKEGQ-VIZOYTHASA-N 519.848 7.015 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Br)cc2Cl)n1 1873921056 RVEADEKMWGTPQO-JZJYNLBNSA-N 519.848 7.195 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922945285 DZALKQPZUAETAS-LLVKDONJSA-N 519.878 6.529 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066487 QFHYRPLUFPBTBX-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1Br 1924585932 RXNNUTGOSHMMND-WHSPXTGCSA-N 519.922 6.764 50 10 KKGE [C-]#[N+]Cc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951429141 RUGBWTOLMJZPGA-UHFFFAOYSA-N 609.971 5.267 50 10 KKGE CC(C)(CCCC[C@H]1CCSS1)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951899899 IKROPABYPQXLDV-UQBPGWFLSA-N 513.725 7.109 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc(I)sn2)c1Br 1983286388 PKKFYPBIVLAGMX-YFKPBYRVSA-N 622.765 6.581 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Cl 1995048726 SOHCJGFPAVJTPS-NDOLSLFOSA-N 516.680 6.644 50 10 KKGE Brc1ccccc1[C@@H](CI)OCCOCCOCc1ccccc1 2007814197 KXZOYTSQTFQZKC-LJQANCHMSA-N 505.190 5.175 50 10 KKGE COc1ccc(C=C2C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)NNC(=O)c2cccs2)cc1 2042438099 DTCSGPTWUPPMPT-GOSISDBHSA-N 541.629 5.046 50 10 KKGE CO[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2062718626 RJYPIMOOCOMFIQ-ZXFLCMHBSA-N 525.926 6.677 50 10 KKGE COc1cc2c(cc1Br)nc(CCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2082350520 RZSFXFPUWGPEQK-UHFFFAOYSA-N 512.879 6.639 50 10 KKGE Brc1csnc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494172 KLVQGNHRDHCBAD-VIFPVBQESA-N 648.632 7.440 50 10 KKGE Cl[C@H](c1csc(Br)c1Br)c1csc2c(Br)cccc12 2093942580 VPYRRJNSIFWKDV-NSHDSACASA-N 501.490 7.579 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCCC2 2141472089 ZQNYLDPBNRDXCN-WPPNPWJKSA-N 536.327 7.597 50 10 KKGE CC12COC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2141475303 LNFSIVROAKCVGL-HIFPTAJRSA-N 582.750 6.742 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(Cl)c1 2142287370 MPILGSROYINVGP-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1Br 2154476194 UODYPODNLKDMSN-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398922 AHBRTROWVFYOCH-CQSZACIVSA-N 655.642 8.292 50 10 KKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400160 PWOVFZFGDCHHCP-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1C[C@@H]1CC1(Br)Br 2224805390 MWYPQDDCIPTJSF-SFYZADRCSA-N 518.418 5.447 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1cccc(Br)c1 2225634952 RWDKAIJAAJALQL-LLVKDONJSA-N 515.840 6.792 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2225635742 XCJXCFXRHFIJPW-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Brc1ccc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)c(I)c1 2240425088 WKRRJEKUJKSWMV-PSLIRLAXSA-N 528.047 6.103 50 10 KKGE C[C@@H](C(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2247453751 BZFZKKCYVSOPGQ-HGJMQJFTSA-N 520.231 6.918 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)ccc1Br 2277896293 JUMGWNCWFRDLRV-CQSZACIVSA-N 532.295 7.259 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cccc(Cl)c2Br)cc1Br 2283200761 VWOMZUGHEFHHMZ-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2293198178 FBSUKAISYXNKLX-XMMPIXPASA-N 522.457 6.045 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc1 2294700854 MOBKLTDAMQIWGA-UHFFFAOYSA-N 525.399 5.488 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2297498245 IXSQKKGSLJSIBW-QGZVFWFLSA-N 553.423 5.170 50 10 KKGE COC(=O)[C@]1(C)CC(=NNC(N)=O)[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]2CC[C@]13C 2297731180 UEHPPJREDWXIJQ-HDICEHHVSA-N 581.798 6.447 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1 2313518182 QFQZIYFAJXJVGU-UHFFFAOYSA-N 566.439 6.740 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518894 YLXYDLGEOXZPPH-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccccc1Cl 2313521517 TXWLOYYDQVDOSQ-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl 2313670792 WVSCPSFYBGVDCY-UHFFFAOYSA-N 535.349 7.536 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCCC2 2314480541 GSPHFJUCOVPQRM-UHFFFAOYSA-N 515.418 6.916 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591712 BTWHKFAYEIGBIF-HHHXNRCGSA-N 511.647 5.939 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593616 PYWZSCCMLOXIJZ-VWLOTQADSA-N 502.039 5.700 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314594028 XPDCMOUSFRGXTL-QABMSTFYSA-N 537.729 6.950 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OCC 2314634399 MULJXNPYFJBGPZ-GDLZYMKVSA-N 512.562 5.330 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 2314643102 BHTFTLQHHPVKNR-MGBGTMOVSA-N 562.597 6.640 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646904 UDBZBAMGAUOWEX-MUUNZHRXSA-N 632.742 5.553 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)c(Br)nn2C)c1C 2316732301 UYTKXCGGHUJBGV-LURJTMIESA-N 521.898 5.870 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)ccc1OC(C)=O 2331358723 HMXGZBBUAAIIMI-UHFFFAOYSA-N 510.571 7.042 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)CC2=O)cc1 2331404573 RBUDVSAROIAFMC-KRWDZBQOSA-N 512.462 7.305 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228289 CJRNGUWZXUONOA-WPRPVWTQSA-N 513.448 5.407 50 10 KKGE Cc1cccc([C@H](CI)OCc2ccc(Cl)cc2I)c1 2365644767 HVKVKRDNUXUTSH-INIZCTEOSA-N 512.556 5.946 50 10 KKGE CC1(C)CC(CBr)(CS(=O)(=O)c2cc(I)ccc2Br)C1 2371122735 KTXUBOYBYMCMRQ-UHFFFAOYSA-N 536.067 5.029 50 10 KKGE CC(C)(C)Oc1ccc([C@H](Br)c2sccc2I)cc1Br 2381322709 NLMUKNKHUNOPJC-ZDUSSCGKSA-N 530.063 6.777 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 12500706 ASRQTTPEBXZOEI-UHFFFAOYSA-N 502.423 5.155 50 10 KKGE Cc1ccccc1N1C(=O)[C@H](Cc2cc(Cl)ccc2Cl)S/C1=C(\C#N)C(=O)Nc1ccccc1 13750048 PTVKHWYCXRHPSG-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739793 FTQZQSYQRDEREN-QPQMVVSWSA-N 508.430 6.367 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)c1 38656004 KQTOHLSEJNAVTH-VWLOTQADSA-N 509.389 6.610 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 38660076 RZIVXNBBMIHOEH-AREMUKBSSA-N 504.970 5.965 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 38660281 XWMKBVMJVILQCZ-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 38681221 JASIDVRHIOTRAS-MHZLTWQESA-N 518.953 5.116 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1 38685424 SKUYEYVXBFYYIW-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Cl)c(C)c2cc1Cl 38687640 XQTUCGJGIBWCTL-DEOSSOPVSA-N 505.357 6.794 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38701027 RTXPTJVRUTZCJW-NDEPHWFRSA-N 508.574 6.584 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccccc6C[C@@H]5C)c(C)c43)coc2c1C 40826644 NCFSAXBBZDOEBV-GTEYUJJZSA-N 509.606 5.942 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc4ccccc4c3Br)cc2)cc1 100062888 MBMGMJCAYPFDRI-UHFFFAOYSA-N 574.475 5.992 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 100237768 IUXSAIRDHLYDRU-KHCQRQCYSA-N 608.476 6.386 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034135 MHCHOOMMFNOMJJ-CPNJWEJPSA-N 540.522 8.413 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243309 ZDKXLIJDCZAKCF-MGLWIZMLSA-N 530.093 6.767 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101333105 QYRAIBIWSLVUAL-WPWMEQJKSA-N 508.622 6.027 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101335015 RACDOKHADAYEDN-FMFFXOCNSA-N 611.101 7.564 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101336610 VBBYFMHEWOJJBD-RDRPBHBLSA-N 546.627 6.350 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCCC(C)C 101375024 QGQNZDXOABZKOK-HKBQPEDESA-N 542.632 6.021 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380498 AATJAJICMCPYFO-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388620 DBPCAFNMJKDACZ-WEZXKFLESA-N 615.057 7.048 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388720 RLPPHZGBMDMPLU-GMWXTNTRSA-N 625.121 7.471 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388748 XQGHBPPODIUQFI-JGCGQSQUSA-N 601.486 7.337 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1Cl 101391331 APLUYJZEFZPXOC-HSZRJFAPSA-N 574.258 6.982 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)c(C)c2cc1Cl 101391988 YFPXMXLNNKDJGR-XMMPIXPASA-N 539.802 7.447 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101393047 GDYLRHKTYTUQGK-AREMUKBSSA-N 569.441 6.627 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101394215 JQHVCGFVGLUMBL-VWLOTQADSA-N 555.414 6.237 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OC 101395897 YQJCBOFBVZKLTF-HKBQPEDESA-N 580.637 6.588 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(F)cc1 101399505 PMXIXULNQPJPOV-CONSDPRKSA-N 580.568 5.377 50 10 KKGE CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 102006818 FYOVNVRUSPQHLW-QDTIIGTASA-N 546.501 6.823 50 10 KKGE COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 103795816 KXDMKNLQWQAZKZ-WCMJOSRZSA-N 536.415 6.075 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1 103877847 SRTJTISRHSSYAB-CCVNUDIWSA-N 572.253 6.699 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 103878482 NUVRUZMIJHLYRB-ODNPBWNPSA-N 572.467 8.242 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 150442898 XUUIFNNLNRQZDE-JGCGQSQUSA-N 645.481 6.768 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)sc2c1 150481779 KHKCOWPWYAQRSZ-LJAQVGFWSA-N 647.967 9.186 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 214421783 HEYKLZDQIGBMLA-XYGWBWBKSA-N 556.594 5.013 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc3c(c2)CCCO3)c1 232453676 PTCALKLLFZJOHP-MRXNPFEDSA-N 507.991 5.863 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1OC 234995585 FNOPHLUEURZUIE-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(Br)c1 252598216 CYGZGZWNGGJIOQ-UHFFFAOYSA-N 625.111 6.031 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc(OC)c1OC 254475788 ULZXOJOIYLUIOP-UHFFFAOYSA-N 603.704 6.509 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 254737595 KPVUZQZNMQCGGB-UHFFFAOYSA-N 508.965 6.555 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 254849120 OQTZRHCYHCUQPP-UHFFFAOYSA-N 689.980 6.485 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1OC 256017803 UQQYNXJSILCRRD-UHFFFAOYSA-N 579.489 6.653 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@@H]14 256407820 BPXYDBBZMNFAEY-DTMIVUPOSA-N 536.753 6.907 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2Br)[C@@H](CI)C1 382679023 AHVOMBLPLZPWCD-RDJZCZTQSA-N 500.174 5.236 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591252 XIJUVZWMRLQMRZ-SNBPFMFGSA-N 834.994 7.822 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1Cl 725433667 LMQULFHRVAOHJM-HHHXNRCGSA-N 537.056 6.019 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CC[C@@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 936069140 UQWVSIQLTSBBHZ-XWMOHAOZSA-N 528.938 9.865 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2F)cc1 1083913543 RSOCIMJUSJOLQG-XMMPIXPASA-N 529.406 5.530 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)c2C)c1 1084037605 WOOJXUICFXFRTC-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCC[C@@H](C)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1 1084124473 JHSHMDVNFZUOSS-HXUWFJFHSA-N 509.444 6.461 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 1084339419 YTCKWPXKMBXIPT-GOSISDBHSA-N 506.740 5.235 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1 1084361873 UYIARXZCIGYMDA-YBFXNURJSA-N 558.803 6.386 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)O 1084399092 VEXFOOQRTOCAKA-UHFFFAOYSA-N 585.660 6.776 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084506950 YMMIWUJNSWAMTD-UHFFFAOYSA-N 637.511 7.074 50 10 KKGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1084572834 OGKNGNZCUYEAIV-UHFFFAOYSA-N 697.061 5.110 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084604694 IGKKQCLPAMDZMC-OVCLIPMQSA-N 662.536 8.139 50 10 KKGE CC(C)C[C@@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 1614020217 HNTMZFODITYYFN-VWFGCXOPSA-N 564.967 6.748 50 10 KKGE CC1(C)[C@@H]([C@@H](Br)C(Cl)(Cl)Br)[C@H]1C(=O)O[C@@H]1Cc2cccc(-c3ccccc3)c2C1 1615216041 DAAAPMWVNHNPEL-GEALJGNFSA-N 561.141 6.926 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c1 1772747824 RRVDXHTWBDDAMM-UHFFFAOYSA-N 520.629 7.376 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682540 QZSOGCDASQHJSB-HSZRJFAPSA-N 545.393 5.243 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865685960 OTZWJNIKPHHTQK-FQEVSTJZSA-N 538.232 6.827 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690288 NKMIQNVUROKSNW-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OC 1865695335 BORXDILYNHUUEA-GDLZYMKVSA-N 566.658 6.352 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865695632 FHOFSVYGSSFBMK-HSZRJFAPSA-N 544.549 6.275 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 1865700884 GYCHWLPUQNQSNK-PMERELPUSA-N 549.030 6.793 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701085 LHUXAEIVRMLZRR-SANMLTNESA-N 547.442 6.547 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701585 YVPUPARCTFMVHT-MHZLTWQESA-N 545.470 6.988 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703992 KHNYNQMESGDFAO-MUUNZHRXSA-N 562.029 6.393 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704499 XGCCNAHMRUCXAS-SSEXGKCCSA-N 533.031 6.844 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705570 ZGFOSNWQTNOCBC-RUZDIDTESA-N 506.562 5.406 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705817 GNPDCJPKYDKZRJ-QHCPKHFHSA-N 500.942 5.134 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865709698 ZSSPBTVNLKUAQK-MHZLTWQESA-N 528.568 5.706 50 10 KKGE CSCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867195108 NEXFHNGHMGPACE-JOCHJYFZSA-N 542.690 5.337 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C[C@@H]1C 1868505231 DGUFKPJKGCXBFJ-SFTDATJTSA-N 518.687 5.404 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(C(C)(C)C)cc1 1872728429 BEIKZSTZKBXGIY-FYJGNVAPSA-N 500.551 6.315 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1OC 1872745529 RJGPVXANPGTWPX-SEDGDDRASA-N 521.620 5.038 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 1872759120 FCQIUYVTNGPKFS-BMOWLENRSA-N 507.395 6.403 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2csnc2Br)c1 1899863648 FQHHNGQGOUSBCQ-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE Brc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)s1 1922898863 YJQXAAUDFOLUMS-VIFPVBQESA-N 503.879 6.714 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924593740 HRIFGIVXTJFAIV-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@@H]2O3)c1Br 1924614397 NTXYCZLLPXXVND-NRFSWKIWSA-N 509.883 6.039 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H]32)c1Br 1924616369 OBDVUBJWTWHBEV-JXOAFFINSA-N 507.911 6.908 50 10 KKGE ClCc1c(Cl)nc(Cl)n1-c1cc(I)cc(I)c1 2006662021 XDNPWRVRPSANGH-UHFFFAOYSA-N 513.331 5.127 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053622402 XIBPLWSKASJMOA-WBCKFURZSA-N 575.613 6.852 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1cc(Br)ccc1Br 2054716294 BUHMXYZILRVHSC-UHFFFAOYSA-N 505.914 6.576 50 10 KKGE C1=CC(P(c2ccccc2)c2ccccc2CN[C@@H]2CCCC[C@H]2NCc2ccccc2P(c2ccccc2)c2ccccc2)=C[CH-][CH-]1 2081194812 CRFHJZUBXIOXPS-NCRNUEESSA-N 662.798 7.930 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccccc2OCc2ccccc2)c1Br 2083319450 ZALKOJYGWQYQQW-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Cl[C@H](c1nscc1Br)c1c(Br)c(Br)cc(Br)c1Br 2085492567 NFTBHXCJZIDVFA-VIFPVBQESA-N 604.181 7.284 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)s1 2113352304 ZJUZJVZFTAGDGC-GFCCVEGCSA-N 519.999 5.885 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141470067 YLYQLTWKPUTDIM-LLVKDONJSA-N 580.709 7.360 50 10 KKGE CC12CC([C@@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C1(CCC1)O2 2157465662 OIWIVQHXVMLWHF-ALXWSUNGSA-N 505.497 6.807 50 10 KKGE Cc1ccc(Br)c(COc2c(Br)cc(CBr)cc2Br)n1 2169023601 AMZSLTZWTVFBTE-UHFFFAOYSA-N 528.864 6.151 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2202904174 OBWRYCCRFJQITK-AWEZNQCLSA-N 534.388 6.339 50 10 KKGE Cl[C@H](c1c(Br)cccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206394733 IWSJPWQJHRLUDH-CYBMUJFWSA-N 676.060 8.590 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@@H]12 2206394959 KXBSPVJHFXFCMH-HWRNIWQESA-N 548.338 7.309 50 10 KKGE CCc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206404123 RIQCCTWVDJWABY-HNNXBMFYSA-N 546.322 7.627 50 10 KKGE Cc1cccc([C@@H](Br)c2c(C)sc(Br)c2C)c1I 2218800317 JDAHZAGNXNUOLM-GFCCVEGCSA-N 500.037 6.525 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc([C@H]3CCOC3)s2)c1 2240431341 ICZBXTFKWMNMML-BJOHPYRUSA-N 528.047 6.103 50 10 KKGE COc1ccc([C@@H](Br)c2cscc2OCc2ccccc2)cc1I 2248883011 OPTKRGQJSQNRGM-LJQANCHMSA-N 515.210 6.425 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(F)cccc2I)cc1Br 2267740605 QEYALWATQUMGTR-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE CCc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)sc1Br 2277892850 WZYOJWIRSGHYBS-GFCCVEGCSA-N 531.933 7.277 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(I)c(Br)c1 2288355968 GYBQCPIWOZHXPF-NSHDSACASA-N 645.699 7.341 50 10 KKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2293202176 OYVLLIIWZGDLQX-UHFFFAOYSA-N 504.826 6.805 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=CNc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 2295934379 NEQNHSFSWTZVIG-UHFFFAOYSA-N 576.074 7.096 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 2313636620 GXJZWUXLEKKLFS-UHFFFAOYSA-N 570.192 7.899 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314618615 QLEYRGYVMRMZIT-HSZRJFAPSA-N 560.629 6.821 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2314640614 DCHMXZVQRDIVSI-JGCGQSQUSA-N 599.470 7.418 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(Cl)cc1Br 2314770533 HDCHLNBXECVSLT-UHFFFAOYSA-N 559.800 5.302 50 10 KKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CCBr)COCc1ccccc1 2320358697 QYKVCLPRBJYXIP-GOSISDBHSA-N 534.086 5.241 50 10 KKGE Brc1cc(COC2(CI)CCCCC2)ccc1I 2325372065 UDVSAQCFIVFXGB-UHFFFAOYSA-N 535.001 5.708 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1 2331459620 BKJJZARXYTYBGQ-UHFFFAOYSA-N 508.687 8.802 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1 2339651002 LFRRNNWEJXHVKC-LJQANCHMSA-N 543.068 7.722 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2358469091 LACBGACAYHVMOA-FMMZJVGLSA-N 596.777 6.988 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360437715 SUSQSWGRSXXHNS-LBPRGKRZSA-N 552.834 7.292 50 10 KKGE CSc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362229834 LXKGQZXLBKKBLF-GFCCVEGCSA-N 503.456 7.210 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2scc(C)c2Br)c1Br 2365227588 HJOUGKHBFQAIKH-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE CCC1CCC(CBr)(OCc2ccc(I)c(Br)c2)CC1 2377621310 GFUXXHBYRGEJOH-UHFFFAOYSA-N 516.055 6.304 50 10 KKGE CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2ccc(Br)cc2)c(C)cc1C 2727680 RJKPCDHUVZNTPD-QHCPKHFHSA-N 513.457 6.003 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1OC 38658926 FNHVUENVWKIWOW-MHZLTWQESA-N 514.578 5.204 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 38701327 SNPQOEXLUGTUMS-XUOXIDSFSA-N 516.682 7.376 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccc6c(c5)OCO6)c(C)c43)coc2c1 40826876 GBLRNTQYTYBSPR-RUMWWMSVSA-N 527.577 5.009 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 40961542 ZJTJSQIUJFLCMN-UAMLYTHZSA-N 529.464 6.796 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 58894440 DMNNDDNTDPWXMM-HTKLFFIYSA-N 524.661 6.640 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2)cc1OC 97914839 QFLQGERIYYTWLH-SANMLTNESA-N 505.030 5.033 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 101013784 LTTZTYCNLUGICD-XJSXSNEFSA-N 581.698 5.191 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101336382 CUGNHPCXYLWWBE-AFUMVMLFSA-N 550.416 5.489 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1 101367251 KKZBDDPNWZCYCI-PMERELPUSA-N 534.568 5.720 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380665 RGLZIMIDSPKEDU-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101385080 SPUULOFGRHBEPL-PMERELPUSA-N 607.877 7.428 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101386655 ZZSXNKBJTGNBIE-YFLQASRXSA-N 583.015 6.904 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OC 101393153 HFPABFSDCFNCJR-MHZLTWQESA-N 609.531 8.223 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)oc2ccc(F)cc12 101393770 IAQNXRKKEIIJMQ-LJAQVGFWSA-N 532.527 7.110 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccc(Cl)cc12 101397667 CIWSZPVZNIIRRO-SSEXGKCCSA-N 597.454 8.064 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1Br 101766698 YXJHPOXHNHKGGR-AFUMVMLFSA-N 526.269 5.827 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1 103796676 HRVBNIXNNMOLFO-VFLNYLIXSA-N 590.243 6.839 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 103880527 YFFHEVMIKGPVNJ-FJEPWZHXSA-N 522.388 5.987 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cccc(I)c2)c1 104041674 ILCZLLRCQHACJM-CYBMUJFWSA-N 530.823 6.301 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104997589 OCAUSAWAGCMRHE-YOIUXKKVSA-N 577.253 6.044 50 10 KKGE C[C@@H](CCCl)CCOc1c(I)cc(I)cc1I 115235679 LKIAQEOHHZBKIC-QMMMGPOBSA-N 590.408 5.534 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 150469076 HXPPPNXRKNITRY-INIZCTEOSA-N 639.533 8.463 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 150478073 LZSRNXGOJCBXQL-HKBQPEDESA-N 633.503 8.328 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 163408748 RCMAYOSKBFGWQU-KVAAJVFYSA-N 656.553 6.821 50 10 KKGE COc1ccc(/C=C/C(=N/NC(=O)CCCCC(=O)N/N=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 163776491 QHOMLDRNAWIXIB-ZFXGIKJFSA-N 674.798 7.049 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)CC(=O)N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 163777156 LHMLAZXXRXFKSK-OXYNGZGSSA-N 636.837 6.845 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)cc1 164621788 RXSQTXPTAIYUMI-ODNPBWNPSA-N 661.369 8.460 50 10 KKGE CN1C2=C(C#N)C(C#N)(C#N)[C@H](c3ccccc3)N2[C@H](c2ccccc2)n2c(/N=C/c3ccccc3)c(C#N)c(C#N)c21 169490361 OSFOODOASZLNGG-KPPVSYECSA-N 555.605 5.804 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 205782862 XDSFYSVXCXMUTG-CPVAOEHFSA-N 660.708 5.219 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)C1=O 214233579 PMZXDCIABNCMQA-WFSKJOQISA-N 506.606 5.645 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 214239199 YUBUHUQCMHAFAS-IMRQLAEWSA-N 506.650 6.637 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214251079 PGGJVMXUBYRLHK-UCMJSZAQSA-N 578.672 7.272 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214426965 SEFBMCGOEZCTBR-QRQIAZFYSA-N 566.658 5.428 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2-c2ccccc2)cc1OC 254494074 VFOQMJQEFINWEZ-UHFFFAOYSA-N 601.773 6.495 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccccc2)cc1 254756531 SDZBKGHKWLVCAF-UHFFFAOYSA-N 543.652 6.492 50 10 KKGE O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3cccc(OCc4ccccc4)c3)c3sc(=S)[nH]c3S[C@H]21 256025849 MHWSCCDLCGTTKK-GDKPVDCVSA-N 507.658 5.573 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Br)c(F)c2)C1 382700384 NXENQPSEEFPWAJ-CVEARBPZSA-N 518.164 5.375 50 10 KKGE Br[C@H](c1cccc(I)c1)c1cc(I)cc2c1OCC2 388907004 NTOFUTOEEALWDC-CQSZACIVSA-N 540.964 5.315 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2n1 616586241 OGNYMQIOONQNNQ-DBZSKXKYSA-N 771.929 6.932 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](c3cn(C)c(=O)nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642887217 ZDZLHJPETUXZJT-ZFPHMOBASA-N 875.089 9.003 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1scc(Br)c1Br 705439516 RVILMQWGIDWZJQ-JTQLQIEISA-N 519.878 6.529 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1csc2c(Br)cccc12 721590274 XCMXEIYLKXVZAZ-AWEZNQCLSA-N 542.461 7.359 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1cccs1 725238807 QCAPUWYRMCXFBU-HKBQPEDESA-N 574.146 6.506 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 725335241 RIXWVOLVZQUWKY-BDIFSYGJSA-N 692.823 5.763 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 1083870316 JNEHCPZRZOZARA-UHFFFAOYSA-N 554.672 5.291 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1 1084271744 OFJFSCKJHFYRSP-UHFFFAOYSA-N 572.209 6.029 50 10 KKGE CCc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(I)c(OC)c2)c1C 1084419663 LLVGOXIWWOECGR-UHFFFAOYSA-N 515.395 5.342 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1 1084545178 IUBKWEFUOPHWQQ-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653196 SHAFLAPCJMRCIM-KRVQGWEHSA-N 550.511 6.859 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744257 VGFPDOYVJXHZOB-UHFFFAOYSA-N 533.799 5.093 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687919 DAQONCKHZWRDOW-LJAQVGFWSA-N 555.078 6.386 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccccc1F 1865688342 PSFXOEZBHYGLFP-HHHXNRCGSA-N 502.549 6.117 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688445 SCUNGRBBNLZXSN-YTTGMZPUSA-N 556.666 6.826 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCCc1ccccc1 1865688605 WGKVMYBJMHPJIF-WJOKGBTCSA-N 554.650 6.696 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865693797 LXHGUFHAKKMFQS-GDLZYMKVSA-N 520.633 6.080 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696064 WYVHUBAANNEATE-SANMLTNESA-N 531.443 6.929 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OC 1865697121 XKMOTXSRWRCNRU-MHZLTWQESA-N 553.078 6.862 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 1865697491 URQJCOLMHHBQFH-QFIPXVFZSA-N 578.294 6.323 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701305 RVMXIXVWQRXWPF-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865703363 UTFOMWXNPSOLEX-YTTGMZPUSA-N 568.677 7.103 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705036 KKONFBLRAIQYMY-RUZDIDTESA-N 514.944 5.470 50 10 KKGE O=C(CCCN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O)Nc1nnc(CCl)s1 1866028484 MDGKKGBWTYEIQC-UHFFFAOYSA-N 680.398 5.342 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866956696 XMUSGFBHQFFNJZ-WUFINQPMSA-N 529.662 5.599 50 10 KKGE C[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867139791 RAJOVIHJWDLLHR-UZUQRXQVSA-N 508.441 5.688 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1 1868300646 GNQXUIWRABUDQW-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1868301735 VXWGBGJVNBSXJS-ZRZAMGCNSA-N 506.679 6.872 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745228 YKLITGSQZJCPTD-UVRAXHDWSA-N 512.418 6.620 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1C 1872746633 QOKNQFBUFKAQKB-LVWGJNHUSA-N 511.534 6.017 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 1872753584 DRWJGMKFOFKSHD-LCUIJRPUSA-N 521.598 6.947 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c(OC)c1 1872755405 LQJZYSWWWIVRTK-LVWGJNHUSA-N 509.543 5.578 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 1872781162 XAIYGPMUZQATHT-VFCFBJKWSA-N 500.667 8.949 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cscc2Br)c1 1899857629 BXQSDCGDAADPNL-SFHVURJKSA-N 517.080 7.336 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(I)ccc1Br 1902314007 FNQHHJCUKWFOJA-MRXNPFEDSA-N 610.068 5.289 50 10 KKGE Clc1ccc(I)cc1CN(Cc1ccccc1)[C@H](CBr)C1CC1 1905038975 AKHHDGWKIJEMLX-LJQANCHMSA-N 504.637 6.120 50 10 KKGE COc1ccc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Br 1922885729 VVFGHQDXZPBONJ-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1c(Br)cccc1Br 1923037482 DHJADACLMRKXEZ-MRVPVSSYSA-N 558.742 7.780 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2025779182 DKRIHFBPUJZYMZ-RDSNPXOSSA-N 575.158 7.190 50 10 KKGE N#CC(=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1nc(O)c2c3c(sc2n1)CCCC3 2040446027 BZOBZBKBRNTCNC-UHFFFAOYSA-N 501.637 5.300 50 10 KKGE C[C@]1(C(F)F)C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470343 ZXTFYGAYMZKTJI-KEWWPHIRSA-N 546.269 7.308 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)c(F)c1F 2150496443 VUYHBGYEVFWLCM-NSHDSACASA-N 537.793 6.876 50 10 KKGE FC(F)CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206396852 BMEXBLRZYUFKKO-LBPRGKRZSA-N 560.296 7.842 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1Cc2ccccc21 2206404802 YLNYKUSHKYUOAC-VFZGTOFNSA-N 544.306 7.356 50 10 KKGE CCOc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1Br 2207273519 VITZKTZESQWKFB-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2)c(C)c1Br 2227351099 JTIYOJHQSWVKNE-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(C)c(I)c2)cc1Br 2232836783 LFYOGIAMDMLWBK-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CC1(C)CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162326 UUTVUICWTJOVDO-ZANVPECISA-N 598.793 7.520 50 10 KKGE Fc1cc(F)c([C@H](Cl)c2cc(I)ccc2Br)c(F)c1Br 2236102857 NJUQUGHGCJOIJK-GFCCVEGCSA-N 540.342 6.562 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(F)cccc2I)c1Br 2255901147 KENGJTZDNBLBAQ-JTQLQIEISA-N 568.869 6.810 50 10 KKGE CCCCc1ccc([C@H](Br)c2cc(Br)ccc2I)s1 2264368383 INSRHLAWXTUPNN-OAHLLOKOSA-N 514.064 6.942 50 10 KKGE Clc1sc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277891433 ITROAGZTOSZMNC-MRVPVSSYSA-N 528.318 7.912 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)s1 2282888372 NYLJABLCTPKOGA-ZDUSSCGKSA-N 534.026 6.275 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1Br 2288344133 GMPBHLJVSBSFKT-NSHDSACASA-N 554.248 7.390 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1Br 2294762815 HJPZSDNNXBEXLH-UHFFFAOYSA-N 537.164 5.239 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)cc1OC(C)C 2295670003 XKIMRCRJIYANSJ-UHFFFAOYSA-N 508.756 5.742 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 2296544414 APDBNANOAYXJFC-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299492949 JREOVPPCFDFPDA-GOSISDBHSA-N 531.107 7.645 50 10 KKGE ClC[C@H](I)[C@@H](CCl)OCc1cc(I)ccc1Br 2302820305 WEYSAJNOOLNWHH-WDEREUQCSA-N 563.826 5.220 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1I 2313510982 HOROYLHUUHWLRS-UHFFFAOYSA-N 584.195 5.623 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521474 QNYCBHRMKNGBKN-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE Cc1c(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Br)cc1 2313567516 KVCBKWKIWKTEQF-UHFFFAOYSA-N 539.477 6.016 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 2313676771 DRFTZMRZAHHZOH-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592471 UPWJOLSDYGNHJG-SANMLTNESA-N 549.618 7.202 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314611091 QGKIGFYYEOGTJL-XZOQPEGZSA-N 597.741 5.351 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643352 VABDNXCPBVAONH-UMSFTDKQSA-N 593.079 7.463 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)cc1 2314646985 XTKKWNQFNYFKFG-MUUNZHRXSA-N 648.741 5.252 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1OC 2314792873 HUSPNOOLBSEALC-UHFFFAOYSA-N 567.107 7.677 50 10 KKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(Br)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331260628 RYMBYKURGMVNMK-HXUWFJFHSA-N 508.397 5.686 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 2331324311 IOCCATZRQDKMAQ-NRFANRHFSA-N 505.621 5.338 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c1 2331325402 VNKBTDXPFNMFET-OAQYLSRUSA-N 521.620 5.038 50 10 KKGE CC(C)(C)Oc1ccc([C@@H](Br)c2cc(I)sn2)cc1Br 2381301760 LJWJGJXCZVBBFU-CYBMUJFWSA-N 531.051 6.172 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 1767443 UBSPASOOMNYXDH-YBEGLDIGSA-N 525.373 6.755 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14650774 MOWYDRPLRLQQRN-UHFFFAOYSA-N 511.416 5.381 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 35104424 CFHDCVRHVAVBEL-UYRXBGFRSA-N 525.531 5.504 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678776 ZVAKPYPCUWJPTI-RUZDIDTESA-N 519.395 5.921 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc6c(c5)OCCO6)c(C)c43)coc2c1C 40826792 REYGRCXJJBFXFY-WEMUVCOSSA-N 527.577 5.374 50 10 KKGE CC(C)COc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2)n1 98017984 GWJHSXRKKOFRFR-HSZRJFAPSA-N 528.962 6.907 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1 100236364 MECKVZJMMAWZBV-KVSGHJDXSA-N 595.921 7.197 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(C)cc1 100336246 AGBYKVIWPIKFDK-ODLFYWEKSA-N 558.803 6.386 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 100452225 BFYGLQDRFZFTBY-IPYFEQEDSA-N 546.805 5.554 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246630 ULJDNFQUCRAADY-FZBRZNRVSA-N 520.010 5.422 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101337653 JRMIJXFOHGLJEH-FVLNWLHUSA-N 604.710 7.780 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 101339182 LIZVPVQVJQJFEI-MWAVMZGNSA-N 616.718 6.489 50 10 KKGE Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101360028 IPZRWMRCINUKLL-GOSISDBHSA-N 584.670 7.465 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101367941 BGQBCMGHWCWUIF-LJAQVGFWSA-N 549.023 6.120 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(F)cc1 101387190 NVFZPKKNAFXRIR-JGCGQSQUSA-N 580.612 6.233 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OCC 101395445 NACXRIQIUJPUAQ-SSEXGKCCSA-N 552.627 7.065 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccc(F)cc6CC[C@@H]5C)c(C)c43)coc2c1C 101619625 AETGYJYCAWQUGQ-BQWNTHPWSA-N 541.623 6.471 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1F 104953097 OSNZDZKAINHZTK-GZTJUZNOSA-N 530.191 6.475 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C(=O)NNC(=O)c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1 150386828 WTUGEYPOGGKLMO-UHFFFAOYSA-N 752.872 6.936 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 150441843 JSAOKOBGXIWFPP-YTTGMZPUSA-N 628.037 6.428 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 196198859 VWNXEDLLHIFAOL-BHCBROHQSA-N 964.186 10.471 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc2c1O[C@@H](C)C2 205778439 JGBZEPIDRFFBBZ-KWHQMRRCSA-N 630.726 5.088 50 10 KKGE C[C@H](F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](C)(O[Si](C)(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](C)F 226125769 AZXRCMUKALOQHX-ZWPCGSKNSA-N 626.471 8.290 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CCC)CC[C@]4(C)[C@@H]3CC[C@]12C 252693811 FRORSYDIKBYDEQ-ASPWHWOPSA-N 505.227 9.635 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3sccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254385835 JHDHEQDYRSNXPH-UHFFFAOYSA-N 503.697 6.153 50 10 KKGE CC(=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 254403430 MOKUSAGJQVMHRJ-UHFFFAOYSA-N 579.531 5.248 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@H]2O[C@H]2[C@]2(C)[C@H]4[C@@H](C[C@H]32)O[C@]2(OC[C@H](C)C[C@H]2Br)[C@@H]4C)C1 254578740 IRGXIYGEVPSGHA-VZMZIZEMSA-N 551.562 5.725 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccc4ccccc34)nc3ccccc3c2=O)cc1 254765147 UQZIGPUBVSONNL-UHFFFAOYSA-N 508.603 5.180 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 725408564 CFXAUNKIYKQFDN-UHFFFAOYSA-N 551.525 7.271 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083818326 AUHUBWQSDUBDNK-KEOOTSPTSA-N 602.882 6.424 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1083958258 IGGOIFSARJMSMG-UHFFFAOYSA-N 604.669 6.523 50 10 KKGE O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl 1084008287 JEQQRZSUCLQMDO-OLGWDCAHSA-N 518.194 6.139 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1 1084144932 BYVXVCYMRWQLQZ-VWLOTQADSA-N 512.448 5.528 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 1084267607 SXXCDRROCYYVAY-GDLZYMKVSA-N 516.041 6.290 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 1084274014 MXURTLXEUCWASB-UHFFFAOYSA-N 582.473 7.697 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084293017 SWWLJAIAOGMGBC-UHFFFAOYSA-N 579.122 5.800 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 1084357547 ACHSFEKIXWCWGW-UDWIEESQSA-N 525.830 6.934 50 10 KKGE COc1cc(C=NNC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccccc1 1084564740 RIOQCDYYDWZQPB-UHFFFAOYSA-N 534.204 5.269 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)c2cccc(Br)c2)cc1 1084606900 IGUJQSGSTQVXBZ-UHFFFAOYSA-N 642.575 6.835 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc2ccccc12 1084630252 BLHAPJXWFHVNHX-ZXVVBBHZSA-N 552.074 6.727 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccccc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1 1084632857 RWAZVHPDYCPHFV-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1c(Cl)cccc1Cl 1865685527 JTPSZYWIOBNAMS-OAQYLSRUSA-N 507.808 6.777 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687706 YKLGBGYLIAXYCR-HHHXNRCGSA-N 510.569 5.439 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 1865689639 VDHYAUXTQLSUMR-SANMLTNESA-N 567.860 6.947 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865695120 KJASUYIMDNILHM-HHHXNRCGSA-N 506.606 5.841 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701239 PQMOOSUQWROWRZ-XMMPIXPASA-N 517.416 6.674 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)c1 1865702359 UDWLGIHJWJHRKU-XMMPIXPASA-N 529.413 6.335 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703740 DMXDXAUSTHGWSY-PMERELPUSA-N 533.031 6.844 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865708649 BWQOPNOQBWBOCS-NDEPHWFRSA-N 564.086 5.147 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1cccc(OCc2ccccc2)c1 1865711579 BSDDRESXNFVFBV-LJAQVGFWSA-N 528.587 6.535 50 10 KKGE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866666152 UZLDLAUDESGQQA-SANMLTNESA-N 577.131 6.476 50 10 KKGE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866979981 MFUMADSBSUCXBR-CLJLJLNGSA-N 503.624 5.080 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)ccc4[C@@H]3C)n2)c1 1868506154 RYBOILSTYHBXDO-IBGZPJMESA-N 509.635 6.601 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868564472 BDUGSEJVZUOGTJ-RUZDIDTESA-N 534.689 6.664 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(Br)cc1 1872728762 RQXGIFSEMWOCKO-UDWIEESQSA-N 560.404 5.926 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 1872746720 VAGKDBCGUSMVSX-ZZEZOPTASA-N 508.397 5.917 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915116154 QQNIZOPHRKHHOC-NSHDSACASA-N 510.089 6.089 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCC23CC3)c1Br 1924612604 MRXXOPSNJTVXNW-XPUUQOCRSA-N 507.911 7.052 50 10 KKGE CC(C)[C@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780203 PSSRYBMQIJDWRC-QUBYGPBYSA-N 556.756 7.465 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2098112808 ADEHIINOSSLDFJ-QZTJIDSGSA-N 500.662 5.087 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)c(F)c1Cl 2201610492 HXIYVMIROMHDNB-NSHDSACASA-N 512.346 6.967 50 10 KKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2207271000 GUMFVDQMMHBACN-MEBBXXQBSA-N 515.027 5.127 50 10 KKGE COC[C@H]1C[C@@H](c2sc(Br)c(Br)c2Br)[C@H](Br)C1 2216397675 XMVXFCNURDZECL-RRKCRQDMSA-N 511.899 5.939 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 2218596478 FJSHDFDKDHDYBD-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(C)sc(Br)c2C)c1 2224056064 UJVBJWCCFILGGC-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 2241000245 GPKADUOKESAJFP-NSHDSACASA-N 524.838 7.698 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2scc(Br)c2Cl)cc1OC 2279288063 NUTOOTOWUOKAKE-LLVKDONJSA-N 505.453 6.428 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(I)cc2c1OCC2 2282895150 UTTYTXURIGFECW-AWEZNQCLSA-N 558.954 5.454 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc2sc(Br)cc2s1 2295494532 KBXVGLZCOSBCNQ-SNVBAGLBSA-N 515.517 7.773 50 10 KKGE CCOc1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OCc1cccc2ccccc12 2296940619 OAKQBLRYJIZWBM-UHFFFAOYSA-N 567.070 7.639 50 10 KKGE CCOC(=O)NC(=C(Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297549116 CBHACFWDGVXMDH-UHFFFAOYSA-O 553.471 7.538 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314447858 CGFWXOJGPAPIQY-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591679 BAZFUYDILTWCCY-MUUNZHRXSA-N 525.674 6.582 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 2314617365 WUVBDUMLOMTFCO-UHFFFAOYSA-N 602.691 6.099 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OCC)c1 2314772582 LBMUKZXUBGKCNN-UHFFFAOYSA-N 530.415 5.734 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC 2314793017 KBTRWIYSAXOLPY-UHFFFAOYSA-N 554.510 7.394 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331398091 DVYVDTBUYAVPSJ-OAQYLSRUSA-N 507.999 5.976 50 10 KKGE CC[C@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4OC)cs3)cc2C1=O 2331412664 SYAPUDGTXIHYDR-AWEZNQCLSA-N 519.579 5.180 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2331439941 HMGZJGVXACBRLP-UHFFFAOYSA-N 517.876 7.868 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(OC)cc1Cl 2331471202 VNMMXRHEFOURNF-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Clc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336084747 WKUXDCQYFTXCCL-GOSISDBHSA-N 515.072 8.014 50 10 KKGE N#C/C(=C\Nc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 2380685 VEQZZORUHDQAIJ-LDADJPATSA-N 530.380 6.809 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 6167477 XRLRTKDYJNZBAJ-PXWTWFJLSA-N 607.729 5.627 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678891 FFBDHEWQBOBJNL-AREMUKBSSA-N 519.395 5.775 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38682565 PNSMSMPOHOMNSN-DNOBIOAJSA-N 500.620 6.123 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cccc(OCCOc2ccccc2)c1 100162179 YOKFWXQJOPFKHJ-UHFFFAOYSA-N 614.290 5.663 50 10 KKGE COc1cc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(OC)cc1Cl 100331433 XECITOFKVDIVKE-RAXLEYEMSA-N 510.915 5.472 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 100883603 YTMICVBBHJGIQK-FSGOGVSDSA-N 566.082 7.419 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 101013791 AXOBYQYLEXRBCY-LRTVDTKTSA-N 611.724 5.282 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101307210 HUARYVMPTQBPJY-MUUNZHRXSA-N 532.980 5.424 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369231 PSQGEXPBMIDKQV-LJAQVGFWSA-N 569.411 6.444 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)cc1 101373658 UMYCKZBGGCORJJ-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OCC 101374531 WUJDZZYGVQUTLO-MUUNZHRXSA-N 543.576 6.000 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OCC 101374563 DBAWYMAKLFVVDJ-DIRGTLEOSA-N 554.643 6.500 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc([N+](=O)[O-])ccc5Cl)ccc43)c2)cc1 101382566 YZTBFYCLSFWDQQ-GDLZYMKVSA-N 567.985 6.573 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384066 ZCSMSMXVAVLXSQ-SSEXGKCCSA-N 601.428 6.370 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101392558 MTAPAJPPAMWBEY-SANMLTNESA-N 530.964 6.158 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101398161 SUZHPLDZXAMMLB-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1 101399288 KGVOMTADHBHABS-JSOSNVBQSA-N 597.023 5.891 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399859 IEYZAVFDKAQCBJ-UMSFTDKQSA-N 618.661 7.912 50 10 KKGE COc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103747977 GEYRQVMYHHLXND-PPDIBHTLSA-N 538.276 5.941 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl 103877028 QIACLEXIWDRLKO-WKULSOCRSA-N 523.814 6.920 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 103877443 UOZOUYFKEFYUCP-WYMPLXKRSA-N 522.193 5.685 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1Cl 104952098 CHFIEPMKAXHANS-ODLFYWEKSA-N 552.483 7.329 50 10 KKGE O=C(CCc1ccccc1O)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 105625602 IISLSOHIKMPRIC-ZMOGYAJESA-N 523.552 5.052 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462664 KOLIVCSSUUMECO-LJAQVGFWSA-N 647.511 8.372 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccc(Br)cc12 150483381 KHYZNPHJHFXGKD-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682221 JWEOPRVXJUYGSP-YSQKDFNPSA-N 549.678 9.359 50 10 KKGE c1ccc(P(c2ccccc2)[C@@H]2OB(c3ccc(B4Oc5ccc6ccccc6c5[C@@H](P(c5ccccc5)c5ccccc5)O4)cc3)Oc3ccc4ccccc4c32)cc1 195810600 OAXQPHMXXTVZLV-NZUCHVTOSA-N 810.444 9.865 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@H]2CCCCO2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 211874311 VAQLZJZVGRUENW-CXKABGQUSA-N 729.292 13.315 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214255169 XVOIHGNAZZGOQC-MKRQMZSSSA-N 522.649 6.355 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)ccc3I)ccc2N1 232453042 NZQKTQPVOWGIGO-OAHLLOKOSA-N 506.963 5.033 50 10 KKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 235628317 JJKOBVDPQKXWGV-BONVTDFDSA-N 515.027 5.127 50 10 KKGE CC(C)(C)c1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 252615336 JRHNDOTVCMIABB-UHFFFAOYSA-N 504.719 6.613 50 10 KKGE Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2ccccc2OCc2cccc3ccccc23)s1 254497422 BXHGATQMHNVMKI-UHFFFAOYSA-N 535.629 5.524 50 10 KKGE Cc1c(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 254806461 TVRSFXWGCHEMRR-FNAVJSCSSA-N 555.682 5.985 50 10 KKGE CC(=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc2ccccc12 254836721 VOVOCUXBNRSGEU-UHFFFAOYSA-N 514.701 6.769 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccccc1Cl)CCC2 256018194 HRRYNNWEHDPZAG-XKAZDTCBSA-N 525.996 7.380 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@H](Br)C23CCCC3)c(I)c1 311435367 SRWBUQOVXSFVRV-RYUDHWBXSA-N 567.430 6.024 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2Br)[C@@H](CBr)C1 382687671 KMFHTINFMRDJLN-YOEHRIQHSA-N 532.070 5.959 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC)[C@H](OC)[C@H]1OC(C)=O 504677656 RRWCFRRJDLLSIP-ATAJJWKISA-N 628.747 5.082 50 10 KKGE in-vitro CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 725381954 GXPOQNOIIUYOTR-VWLOTQADSA-N 511.018 5.680 50 10 KKGE O=C(COc1ccc(Cl)cc1C=NNC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1)Nc1ccc(Cl)cc1 1082990641 NYJMVZWKKQMSJX-UHFFFAOYSA-N 616.530 7.642 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2cc(C)cc(C)c2)cc1OC 1083897177 BQWRNSHXRGVVSN-UHFFFAOYSA-N 592.693 5.213 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccccc1Cl 1084008181 SDLLXCRSNDWKQI-UHFFFAOYSA-N 592.479 6.753 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 1084144726 TWVVZCZFXGORKF-UHFFFAOYSA-N 743.665 7.761 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1084156077 FJRLNVADUCRBST-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(I)cc3)c(I)c2)cc1 1084267694 CUWVRUBSIDGDTP-UHFFFAOYSA-N 863.275 8.609 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)cc(Br)c1O 1084271588 CEBCBNTTZBHJAH-UHFFFAOYSA-N 643.405 6.306 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)Cc2ccccc2)cc1 1084307207 GFNRZRCWTLYBDI-UHFFFAOYSA-N 585.730 5.011 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccccc1C#N 1084332343 LHCLTSPIRZKIOT-GIJQJNRQSA-N 604.231 6.603 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 1084443155 GRZKQYWDCNHNDZ-JOCHJYFZSA-N 623.285 5.605 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3ccc4c(c3)OCO4)c2)c([N+](=O)[O-])c1 1565517531 KJAYEMPTEANZJA-UHFFFAOYSA-N 575.618 5.786 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773609 DIMYHZDULFSWLS-YNPMJXNISA-N 641.142 11.150 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747850 SCPMFVVNNMVNPH-UHFFFAOYSA-N 536.213 5.775 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748473 QPXCDLHFNOLUCI-UHFFFAOYSA-N 504.801 6.579 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)N5c6ccccc6C[C@@H]5C)c(C)c43)coc2c1C 1772751794 NCFSAXBBZDOEBV-SFHVURJKSA-N 509.606 5.942 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12 1772760389 IFUCEQUCRGUJIJ-UHFFFAOYSA-N 545.462 6.300 50 10 KKGE C[Si](C)(C)Oc1ccc([C@@H](Nc2cccc(F)c2)[C@@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 1848437278 CAVKYMAXMVRYGQ-MVLFYJIESA-N 716.974 10.041 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865684464 YXDCPJMTOSOVTR-HSZRJFAPSA-N 521.379 6.271 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cccc(Br)c1 1865684767 XRLRTQFCSQQXIG-QFIPXVFZSA-N 501.359 5.718 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687296 NZILAROJDRFWKL-AREMUKBSSA-N 512.997 5.894 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OCC 1865691310 PEANRMYALKPZFN-MUUNZHRXSA-N 554.622 6.152 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OCC 1865691467 SONDOGONTYPLDC-NDEPHWFRSA-N 552.631 5.962 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692300 AVDXZXARKBRUKN-HKBQPEDESA-N 548.687 6.697 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693240 MNQKUSDWGJPCPX-JGCGQSQUSA-N 568.677 7.021 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865693601 XBYLCJBYQJROHK-SANMLTNESA-N 538.604 5.159 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCCCc1ccccc1 1865696510 GPWRUBHYLDDRDU-GDLZYMKVSA-N 524.596 5.617 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701102 MAIUTLJXNFYTGK-GOSISDBHSA-N 548.210 5.082 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702895 HUPCTBJQLPWDCF-NDEPHWFRSA-N 506.606 5.939 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1865703606 CKOMFNGYBWKCHZ-HHHXNRCGSA-N 563.441 6.302 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703807 GDKSJMFNYXHELP-XIFFEERXSA-N 578.647 7.688 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705120 MUNLXQMBGTXTIO-DEOSSOPVSA-N 517.372 5.925 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1 1865706678 CHGQMDKLZPKREZ-PMERELPUSA-N 554.654 6.188 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(=O)O)cc1 1865708457 ACBRTGQEFVCBCJ-QFIPXVFZSA-N 517.372 5.822 50 10 KKGE C[C@H](Cl)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865905228 FTSOYXAHFXQRNT-ONGXEEELSA-N 874.420 5.056 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1 1868207623 PRCURFYJJQCQTO-UUWRZZSWSA-N 555.707 7.545 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CCCCC4)CC3)nc(Cc3ccccc3)n2)cc1 1868208274 YFQIDBJTPJINFF-UHFFFAOYSA-N 512.683 5.613 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)n2)cc1 1868527777 HPISFYWUAGVIQA-HHHXNRCGSA-N 577.754 7.667 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1)N1C(=O)c2ccccc2C1=O 1872751282 ZUOHPOFJMAWHKD-KGZDDHDCSA-N 501.564 5.085 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872752062 LFFKSWSNRDDLGB-QOCHGBHMSA-N 502.552 5.711 50 10 KKGE CCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc1OCC 1872753571 DBDFDRUBSCNNNV-NFFVHWSESA-N 506.668 7.778 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)c(OCC)c1 1872755266 GFPWRSWNGVVKES-WGJYXZIMSA-N 517.607 5.952 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Cl)n1 1872755983 OZBWTQXFHQXOFC-ATJXCDBQSA-N 501.479 8.375 50 10 KKGE C[C@@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 1892700503 LVYLVWALAFHIQM-SFHVURJKSA-N 523.312 5.166 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)s1 1922895837 ZTRQKFAFOLUMSJ-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 1923054575 HJKRZCNHRYINOG-RXMQYKEDSA-N 564.771 7.841 50 10 KKGE Brc1ccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924593340 DVBGUSYXUXIPMN-QMMMGPOBSA-N 582.775 7.477 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012761 POHNLKHHAZMWED-WWLVODANSA-N 644.617 10.491 50 10 KKGE Cc1nn(C)c([C@H](Br)c2sc(Br)c(C)c2Br)c1Br 2072301413 XDIYNNRQUDTZOX-QMMMGPOBSA-N 521.898 5.870 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)c(F)c1Cl 2136964477 PQXNWIMJFKOEOX-MRVPVSSYSA-N 515.826 7.295 50 10 KKGE Cc1coc(C)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469563 BEDVRXSZJKQYHF-ZDUSSCGKSA-N 536.283 7.275 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@H](Cl)c3csc(Br)c3Br)c2O1 2150345367 JRTJSLWMVDGZPT-INWYIAFRSA-N 501.465 6.687 50 10 KKGE Cn1ncc(CC(CBr)(CBr)c2cccc(Br)c2)c1Br 2173257020 AMFRWAHWGNGTPE-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE O=C(c1ccc(Br)cc1I)N1CCCC[C@@H]1CCCBr 2207268750 VOZNKCIQBQXPLY-GFCCVEGCSA-N 515.027 5.224 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)sc(C)c2C)c1 2224056434 XIDGEHPVHFLQJU-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)c(Cl)s2)c(Cl)c1Cl 2224307947 RPEPYGRSTYCYTB-SECBINFHSA-N 504.285 8.215 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(F)c(Br)c2F)cc1I 2224627462 LNJDIMGDTOZGBJ-GFCCVEGCSA-N 501.934 6.125 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)s1 2233025475 YYNOXQBNEAAPSJ-ZDUSSCGKSA-N 550.481 6.789 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1ccc(I)cc1 2263519729 VSZAQJBVMGKZLL-AWEZNQCLSA-N 500.399 6.339 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1I 2269545375 QSIFGFFUJOVJNS-AWEZNQCLSA-N 518.947 5.886 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1ccc(Br)cc1Br 2278023171 FOTYFQNHMQCLJH-CYBMUJFWSA-N 501.490 7.579 50 10 KKGE O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 2297515832 ITRSGLMOARAAKY-UHFFFAOYSA-O 630.026 7.563 50 10 KKGE C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=NNC(=O)c5ccncc5)CC[C@@]43C)[C@H]1CCC2=NNC(=O)c1ccncc1 2297639538 ZYEHQFGKBKGWDM-YVPJPYGASA-N 524.669 5.311 50 10 KKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)cc1 2297708173 LRSQKNAWTBKKPG-UHFFFAOYSA-N 531.490 5.478 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2301119793 XSXAFRHPGVVLSJ-LURJTMIESA-N 507.871 5.562 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518469 FEOJJMNABIGNEK-UHFFFAOYSA-N 560.275 7.506 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1 2313568714 WLGWDEZBNFLKHE-UHFFFAOYSA-N 531.837 7.689 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1nc2ccccc2s1 2314414630 GVXYNIMTDXDVPP-UHFFFAOYSA-N 528.612 7.931 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 2314482892 YRZOCJSXHJQRNY-JGCGQSQUSA-N 512.613 6.987 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314491526 OSEYHCRVEUQUSC-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314499953 IQHXOLYBEFGVLK-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592564 XTBGJENLUJDCGS-SANMLTNESA-N 513.619 5.467 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314610910 OGAJWQMHJFKNSE-UHFFFAOYSA-N 544.680 6.834 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 2314616679 HDXCXERMAIZSFE-UHFFFAOYSA-N 568.677 7.043 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314617027 PHCGHXMROKIHAO-UHFFFAOYSA-N 600.719 7.299 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1 2314634076 KBWBRTOBJJIUFZ-NDEPHWFRSA-N 500.982 6.356 50 10 KKGE COc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC 2314772800 YMFXYANJSOTHIP-UHFFFAOYSA-N 524.798 6.803 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 2314795906 BXKRVYJSDYNNSQ-UHFFFAOYSA-N 539.451 6.607 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 2328796418 RJURXVSSXCOQHM-SBUREZEXSA-N 504.027 5.317 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2scc(Cl)c2Cl)c1Br 2337085501 ZAFKWKLEXVUGQT-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE Brc1cccc([C@@H](Br)CCc2ccc(I)c(Br)c2)c1 2349837483 SEJIJDJBPWRAOB-ZDUSSCGKSA-N 558.877 6.885 50 10 KKGE Clc1ccccc1[C@@H](CBr)Cc1ccc(I)c(Br)c1 2349840883 GMCBCVPPVZPBPD-LLVKDONJSA-N 514.426 6.428 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)ccc2Br)c1 2366890405 ZJQDVNYTWIMVIO-CQSZACIVSA-N 501.871 7.587 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 14665602 UJZBWTYNOSDPSD-UHFFFAOYSA-N 525.443 5.570 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 14668245 PCZPQYKWLNMJMK-UHFFFAOYSA-N 511.416 5.019 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccc(C)cc4)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 15773779 LIJZLTXKPIULDW-YXGHVCOTSA-N 518.617 6.132 50 10 KKGE COc1cccc(N/C(SCc2ccc(C)cc2C)=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 20645690 VWDIYUBIYZPIDO-URGPHPNLSA-N 531.678 5.769 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)cc2)cc1 38650665 ZQYHAKFEQRWYHS-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 38683096 AKTQDZYQTGTNQV-DFXYEROKSA-N 526.633 6.580 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811821 YDEAYNWBDJPGLO-MTDXEUNCSA-N 502.315 5.351 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 40812868 JTCAYDKESUCALQ-MTDXEUNCSA-N 514.807 6.035 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O 59304533 HJHCIENUGLIHDY-STBIYBPSSA-N 518.411 6.083 50 10 KKGE CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 59500498 IZBADIKYLHGPTG-DICXZTSXSA-N 508.372 5.089 50 10 KKGE COc1cccc(CN(C(=O)CCl)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC(C)C)c(OC)c2)c1 97914662 XLGDUIAFCORADN-HHHXNRCGSA-N 517.066 5.249 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 100452056 ZSHRUPISCDWNIO-LKHJKXADSA-N 615.149 7.061 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2s1 100883552 LUZWQSONZTUJJT-MOHJPFBDSA-N 545.067 8.446 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)cc2)cc1 100883562 MIQWJKXBUUDLFO-XHPQRKPJSA-N 524.649 8.101 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245710 DDNPXFMAPFAQFH-IEQIIXMPSA-N 501.583 5.598 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101334959 DZNGHXWEFRACTM-AJBULDERSA-N 556.666 6.819 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101367118 CAXFRJYXKHONCA-OSSVLFQVSA-N 523.372 5.848 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379549 IWBMHZCSUNEESQ-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381143 SWSZFUDRUNTUIW-HKBQPEDESA-N 603.458 6.784 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384809 VPLHOVLPKONULD-HKBQPEDESA-N 601.486 7.797 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCC)c2)cc1Cl 101396684 VJHGFPJZBRIEMI-AREMUKBSSA-N 553.442 7.008 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101397267 AUHNDHMIVABLFP-SANMLTNESA-N 579.505 8.214 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(Br)ccc6c5C)ccc43)c2)cc1 101398309 BIGNBNHRLACGSL-WJOKGBTCSA-N 621.487 7.829 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399515 UQRQFMRWTRODBE-HKBQPEDESA-N 576.580 6.905 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1OC 101613384 KLPFZYGBYCJAFH-MDAYZVFASA-N 551.643 5.715 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 103742664 XFAUZDZIFRJDTQ-WGHBEHPSSA-N 516.381 5.468 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12 103796842 NLSMMZSILQQZTJ-OKCVXOCRSA-N 529.390 6.700 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc2ccccc2c1 103796924 JNAMITRUZUYZQS-KCSSXMTESA-N 539.429 7.420 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2c(c1)OCO2 103884014 KBBQOHGXLYQUPC-OEAKJJBVSA-N 546.023 5.302 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150422116 RYGXBOFVDDHEDP-UHFFFAOYSA-N 686.220 5.310 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433460 NHADTXNNPGRNHI-PMERELPUSA-N 666.355 8.171 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463466 VBTXIQKIAWJFDN-WJOKGBTCSA-N 706.376 8.836 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 164018707 HOPPXHQRWSPXOK-KVAAJVFYSA-N 645.678 6.779 50 10 KKGE CC(C)(C)[Si](O[C@@H](/C=C/C=C/I)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1 199327945 MILCGFKIDSPDKP-OKYYOCSBSA-N 558.652 6.707 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214311962 NMYYOUOKZBKFEZ-QRQIAZFYSA-N 527.584 5.292 50 10 KKGE CCC(CC)N(CCBr)C(=O)c1cc(Br)ccc1I 232895386 NTOUAXXYTDXCMY-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 235812561 ORGGVPNZBNXKSY-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(C)cc1Br 235863966 SIBPZUBLCULQCN-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2I)c(F)cc1Br 236220303 SDLSGPNDEKMFFC-CYBMUJFWSA-N 566.803 6.579 50 10 KKGE COc1c(Br)cc(C=NNC(=O)COc2c(Br)cc(C)cc2Br)c(O)c1Br 252621550 NBDKTPKNFSMYRG-UHFFFAOYSA-N 629.925 5.288 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 254296487 UIWBLGYASICNNB-UHFFFAOYSA-N 560.606 6.176 50 10 KKGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)[C@H]2C)c(Br)c2c1OCO2 254484621 VAGIKPSHXOMLKQ-BLVKFPJESA-N 595.288 5.460 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1OC 254742841 XJIZVUWGUKWGJI-UHFFFAOYSA-N 590.632 6.184 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Cl)ccc2Br)c1Br 383666505 SADNWDZZVBXKJJ-VIFPVBQESA-N 513.398 7.430 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725424052 UHTRJOLMGLXJPU-UHFFFAOYSA-N 603.959 6.784 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)CCc4ccccc4)cc3[N+](=O)[O-])sc2c1 1083983490 NMVSVWBESJCSHY-UHFFFAOYSA-N 506.609 5.837 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1 1084038906 MQKDLYKEHGJQRK-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c(C)c1 1084231298 VFOILCNUDXTFMV-UHFFFAOYSA-N 544.677 5.420 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)c1 1772745960 MIDPOBLXCBXYSB-UHFFFAOYSA-N 523.427 6.472 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1772754955 CHMMTKHDNOEDFJ-UHFFFAOYSA-N 637.408 7.709 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 1772760503 SPMMFWPWEPNMID-UHFFFAOYSA-N 516.019 5.919 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 1772760551 LFPZTTOTASNASD-UHFFFAOYSA-N 532.474 6.433 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686246 SKBFBQKRVIYPMU-AREMUKBSSA-N 511.025 6.602 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cc(Cl)ccc1O 1865688902 DRMPGXDWGDVSFH-NRFANRHFSA-N 519.786 5.879 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865689885 FUHJJIJSLQLLAD-MHZLTWQESA-N 575.496 7.311 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccccc3F)cc2)cc1 1865692538 GYAFAADIXXJOLP-DEOSSOPVSA-N 534.513 6.195 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865695773 SSAMKSREDVKGMK-HHHXNRCGSA-N 574.603 6.681 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865696534 OTBRWIRJGLDCBG-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698568 XRFQUHIHZISJEJ-JOCHJYFZSA-N 541.421 5.409 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(C)c2)C(C#N)=C(N)O3)cc1 1865711197 RYIPWBCYRZEMIZ-QHCPKHFHSA-N 503.389 6.381 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)c1 1865712128 PZEUXYMATSFQAO-RUZDIDTESA-N 530.550 6.364 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865713272 VKDRDYGDBNKRHL-RUZDIDTESA-N 507.550 5.350 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@@H]2c2ccccc2)n1 1868253891 XGFSVCOZOFSHCH-PMERELPUSA-N 521.690 6.869 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)nc(-c3ccccc3)n2)cc1 1868365320 OCRULSFSUAZYMF-RUZDIDTESA-N 504.619 5.406 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(F)cc4)n3)CCO2)cc1 1868456496 QDBXGMUOWJGMHN-SANMLTNESA-N 511.626 6.740 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914639610 UHAZVEMNSXYRHE-GFCCVEGCSA-N 526.088 5.186 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1sc(Br)cc1Br 1922944007 XHEZIODHPODFTL-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)s1 1924579271 CKPJMLPLYJQTRJ-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE CCC1CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924590016 GTEIVRDLKFVISR-KTOWXAHTSA-N 523.954 7.688 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(I)sn1 2007646965 DWLUCYPFWCZLSC-JTQLQIEISA-N 511.379 5.787 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1Br)C1CCC1 2031419742 GKXJBRLZMGSEPV-UHFFFAOYSA-N 503.898 6.330 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2082377145 NZVRNQOIHXEXPK-LLVKDONJSA-N 538.324 7.482 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2085496902 YKVROHKKUCVPIA-GFCCVEGCSA-N 582.775 7.591 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1ccc(F)c(Br)c1F 2113351776 SZBPUQMFVDFHNP-LLVKDONJSA-N 505.897 5.955 50 10 KKGE Brc1ccc(Br)c(CC[C@H](Br)c2ccccc2Br)c1 2118532289 OBKCFQNGULUTFW-HNNXBMFYSA-N 511.877 7.043 50 10 KKGE CC(C)[C@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2121063648 FLRDLLNWRFHFKD-NSHDSACASA-N 519.406 5.333 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cn(C)c(Br)n2)c1Br 2136368671 YFWBWYXCUJKLCG-LBPRGKRZSA-N 515.869 5.809 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC[C@@H]2CCCO2)c1Br 2141471039 NJXVZDONIHAACY-JGVFFNPUSA-N 584.766 7.132 50 10 KKGE F[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472621 GMNUINSZQUSIDX-AMXGMDGSSA-N 586.757 7.701 50 10 KKGE Clc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1Cl 2142279690 SYYQBCPTQMKBSJ-NSHDSACASA-N 534.844 7.039 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1Br 2203003213 QZTXYDSWDQGMHF-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE COC1CC(CC[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394137 FEYGZDDGBBKSAM-HACHORDNSA-N 598.793 7.378 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206406189 WKZAAQBUGMIFFT-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1sc(Br)cc1Br 2210635897 OTCGJVJUKQYWAH-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1C 2221833898 CRYWEZHMZCVREI-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)c(C)c1Cl 2232526454 IHFSYBGBUMVVPH-CQSZACIVSA-N 501.871 7.620 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc(C)c1Br 2235684429 ZYLXPVAMPIQDDS-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE O=S(=O)([C@H](Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2295149775 QZUUXFALNYDVHN-KBPBESRZSA-N 587.209 8.352 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2295172643 PWRWZXDHKYVXBI-UHFFFAOYSA-N 516.178 6.521 50 10 KKGE Cc1cc(C=C(C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2297458284 IQDWTQOPZHARRA-UHFFFAOYSA-N 514.632 6.438 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=CNC(=O)Nc1ccc(Br)c2ccccc12 2297534255 AMDXBSNWEXVGHV-UHFFFAOYSA-N 515.367 5.017 50 10 KKGE Cc1csc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299532309 FTSLZYNZYQTJJN-GOSISDBHSA-N 531.107 7.645 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(I)c1 2301793475 CCDZDUJRTIMUTR-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@@H]2C[C@H]12 2312064019 OACXRLAIHJSMKI-NEBDSWNUSA-N 522.300 7.063 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1I 2313566974 ADOMQWGMYQSVAR-UHFFFAOYSA-N 558.157 5.149 50 10 KKGE CCOc1cc(Br)c(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 2313630330 GHLBIAOHRYYLMH-UHFFFAOYSA-N 500.418 5.604 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1 2314445468 PBWYEPCHGOGBRM-SFHVURJKSA-N 529.070 6.491 50 10 KKGE CCOC(=O)COc1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC 2314486744 CBEOZUIIGQHKIP-UHFFFAOYSA-N 567.417 5.694 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591764 DJHIHAQAUCWYPE-XMMPIXPASA-N 548.462 5.831 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592446 UFAQLVNODIVTGB-VWLOTQADSA-N 518.038 6.112 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592553 XJIYTEUVMFAPFH-MUUNZHRXSA-N 509.675 6.746 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 2314593992 XDQASMFEGHELBR-DFHRPNOPSA-N 509.675 6.422 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C(C)=C(C#N)C2=O)cc1 2314617181 SEEZLGUEWCXIDY-UHFFFAOYSA-N 558.682 6.141 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314618121 HONODNCDNSUNJF-AREMUKBSSA-N 625.128 8.125 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314618245 KCZRDQUBWKLNKP-VWNXMTODSA-N 554.650 6.525 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 2314620120 JWEVZTMCNXCXPP-UHFFFAOYSA-N 563.057 6.692 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1OC 2314753602 CCHXUQIBLYRGKO-UHFFFAOYSA-N 532.662 7.024 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)cc(OCC)c1OCC 2331396405 UXCSRQPFUAYVGK-UHFFFAOYSA-N 506.668 7.562 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336076960 DKRAVXSSOSSWAL-FQEVSTJZSA-N 543.068 7.722 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Cl)cc1I 2340027143 JQUHATBSHKZRCD-RMLUDKJBSA-N 515.414 6.342 50 10 KKGE Clc1ccc([C@H](Cl)c2cc3sc(Br)cc3s2)c(I)c1 2340067885 HJUDSADEMJIQHA-ZDUSSCGKSA-N 504.039 7.312 50 10 KKGE C[C@@H](Br)CN(Cc1ccc(I)c(Br)c1)C1CCCC1 2349850119 GVYMOBMQHXTNQQ-LLVKDONJSA-N 501.044 5.582 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2363253887 KWLDDPRYXXOFEK-ZDUSSCGKSA-N 501.509 7.511 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2365597021 CMOKMBBWGXQWLW-INIZCTEOSA-N 528.453 7.117 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642086 SREJQMYEOOKTOY-GOSISDBHSA-N 511.416 5.235 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 33358676 SLCXWSRZDIKMAU-VKGKTOGESA-N 589.331 6.873 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)c1 40811319 KAJNQNKFMSRSFZ-FDAWAROLSA-N 503.908 6.291 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1 40811816 MUADRIWVIWLTII-XHLNEMQHSA-N 523.427 6.472 50 10 KKGE O=C(Cc1ccc(Cl)cc1)N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12 48573425 WLTJTEPRAGVNRW-MUFRIFMGSA-N 507.815 6.528 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 58894796 HSIRUGZQEMWTNO-NSUQCTOWSA-N 524.448 6.359 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 100134741 CKVSRBNQAMQTHG-MWLSYYOVSA-N 536.426 5.725 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)CC1 101013677 OROFJEBMNGGYBU-QOMWVZHYSA-N 620.735 5.454 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 101036772 YQGSMGVCDAIVNW-RUZDIDTESA-N 571.514 8.635 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 101339474 HIGKHFXSMDGWOU-JFLMPSFJSA-N 516.576 6.088 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 101340431 PYUFRUUCZREERQ-CVKSISIWSA-N 522.967 6.124 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(C)cc1 101387623 BYGWIDOOYFGKNJ-JGCGQSQUSA-N 546.623 6.719 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389281 LDCRALMNMFHOJQ-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389675 CUOPTFARHDZQPQ-XSJBNIOMSA-N 608.666 6.957 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101393282 STMMQHNLNKXAOU-MUUNZHRXSA-N 589.113 7.734 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 101600222 NOUPIVKSCFRGCM-NOBHLTQKSA-N 536.548 6.634 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(-c5ccccc5)cc3)CCC4)c2n1 101613806 SCPKLXVTVJELQM-MDAYZVFASA-N 529.596 6.801 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C)cc1 101727301 RCKCXFHGPURMEI-IPPBACCNSA-N 538.094 6.602 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 102666220 WAEQHONPYKEXSP-YBFLONPQSA-N 544.463 7.212 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 103721735 POFJUSFXNWUSRB-NFSLGCCLSA-N 538.651 5.909 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 103721874 PSJMUHBCDWQMBP-LGJNPRDNSA-N 531.248 5.070 50 10 KKGE CCOc1ccc(NC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 103866949 QHQTTWMPUZUNNB-HNSNBQBZSA-N 569.731 7.149 50 10 KKGE O=C(CSc1nnc(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)[nH]1)NNC(=O)c1ccc(Cl)cc1 104461503 AMYLVEWAZJGKAP-AMVVHIIESA-N 554.035 5.355 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Cl)c1cc(Br)c(Br)s1 125565167 XCOJTTRTAZRXCO-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)sc1Br 135308596 CANHBEKZFLJKKO-NSHDSACASA-N 519.878 6.529 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430700 KDBJYYSLYHDFKQ-SSEXGKCCSA-N 677.993 9.277 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 150431043 UWHCGYMGEFRVBR-WGNDPNKDSA-N 684.312 5.837 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432969 BRQPZUZTXVXSHU-SANMLTNESA-N 789.710 10.441 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)sc2c1 150481773 KHKCOWPWYAQRSZ-GDLZYMKVSA-N 647.967 9.186 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 150497331 PXLPMTWEOHCWQZ-BIZUNTBRSA-N 629.091 7.703 50 10 KKGE CC1(C)[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 155255040 PEJVDJROFJDRAU-VHSXEESVSA-N 632.843 5.441 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(Br)nc4c(OCc5ccccc5)nc(N5[Si](C)(C)CC[Si]5(C)C)nc43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 195790793 JLNLIOWGBNVDRZ-IDZRBWSNSA-N 821.127 9.642 50 10 KKGE in-vitro COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccccc1 205649975 LDOVADHTVOPJFK-XAYSVVRLSA-N 530.580 6.111 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCCC(C)C 205657930 XQIRYJSGNMKHKZ-MOAOOSMUSA-N 554.643 6.356 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 214299547 YTZCTIKXNPRAID-FIOJILPZSA-N 536.632 5.190 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)sc1Br 235021618 CONMQYOGGAGGET-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1 236084344 GQLGZUAVRXUQNE-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254354257 XKMYKEBMIFONFM-UHFFFAOYSA-N 517.630 5.622 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)NN=CC3=C(N4CCOCC4)/C(=C/c4ccccc4)CC3)cc2)C1 254392453 ZMEDGJVNBBHMPJ-KXUVBQEWSA-N 602.801 5.455 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1C 254771232 KVCAQWIYHSXUGY-UHFFFAOYSA-N 522.557 5.271 50 10 KKGE O=C1OC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]12)[C@@H]1[C@@H]3[C@@H]2[C@@H]1[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccncc2)=C1c1ccncc1 261493277 NMQSISRRZCVOFH-HFCPIFFPSA-N 588.663 5.470 50 10 KKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308418439 RWBDPXPYJSDEJL-OAHLLOKOSA-N 525.860 6.393 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1F 398591519 PODTXNFEFAUJRN-NSHDSACASA-N 540.342 6.609 50 10 KKGE C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 504264668 YQDQKLZJQQTFEU-KHIANTPSSA-N 612.702 6.527 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3CNC4=C3N3CCN=C3N=C4OCc3ccccc3)C[C@H]2O[Si](C(C)C)(C(C)C)O1 604970527 GZBWCAUZYLSAMH-ZONZVBGPSA-N 627.935 5.390 50 10 KKGE CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)SSC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 713781421 XHJNAFAXFAKQHE-UHFFFAOYSA-N 550.700 5.999 50 10 KKGE CCOc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1 721586082 IMIVAFZQSVBWSH-OAHLLOKOSA-N 530.425 6.543 50 10 KKGE O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237268 CGYYFMZSBLLWEU-VWLOTQADSA-N 562.972 7.650 50 10 KKGE O=C(N[C@H]1CCCc2ccccc21)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237428 GVBBWSQNXGYUTD-REWPJTCUSA-N 506.977 6.274 50 10 KKGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240333 ZQAGWXUKPIARBB-VTFYZQLFSA-N 503.850 5.593 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 725408804 LIJIBRILKYUEGO-DEOSSOPVSA-N 614.751 7.351 50 10 KKGE CCCC(=O)OC[C@]1(C)C=C(C#N)[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 888105691 YYFRFDAZEKSKQZ-BOQWEHCGSA-N 549.796 7.810 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)c1 1083930879 TWVHLXILSDYANB-UHFFFAOYSA-N 612.955 8.520 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1OCC 1083957797 FYJWGOMAYKDYBA-UHFFFAOYSA-N 537.682 5.343 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(C)cc1 1084040836 SLPKFWSFDGDRIF-UHFFFAOYSA-N 501.808 6.153 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 1084046531 JNAKCPBXSNZVRP-MRXNPFEDSA-N 533.875 6.321 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1084117739 HKGDVEAHAJGUOV-PXNMLYILSA-N 532.767 6.688 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc(Cl)c4)c3C)sc3c2CCCC3)cc1 1084299537 FYNXWYQBTHVYSB-UHFFFAOYSA-N 545.108 7.012 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1084344729 UBTGJDNJLZZYMS-UHFFFAOYSA-N 571.811 6.289 50 10 KKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1 1084447724 NCNCTVWNTCMFNP-UHFFFAOYSA-N 577.150 5.748 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1084466034 INDVCFSMIZWFCS-MUUNZHRXSA-N 591.502 6.553 50 10 KKGE COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084485462 YOQKOKBQCWVCAO-BJMVGYQFSA-N 598.993 5.757 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084514810 ZRCVRBUXZCZWCW-RIYZIHGNSA-N 542.213 5.642 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1084543607 SOAZQNYMOHYRES-UHFFFAOYSA-N 596.073 5.696 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1C 1084553042 AGEZLHGITGXGDR-UHFFFAOYSA-N 563.123 6.094 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc(C)cc1 1084558655 ICBGPIZQHLWKFC-GOSISDBHSA-N 574.492 5.010 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=C(c1ccccc1)c1cccs1 1084562707 ZYKUSBJYZAKXAV-SFHVURJKSA-N 537.114 5.841 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Cl)CC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538086 QPRLUWUASKOVRZ-QNYOUJHGSA-N 507.268 9.962 50 10 KKGE CCOc1cc(C=NNC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719638 IDRAEQAXYYICCL-UHFFFAOYSA-N 528.561 5.004 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746847 HYHUTBBJSUKGTC-UHFFFAOYSA-N 569.765 6.140 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccccn1)CCC2 1772747586 QYCLGZFUJHFMMG-UHFFFAOYSA-N 514.969 6.151 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Br)cc1 1772754980 DQLIDJMQQAOANQ-UHFFFAOYSA-N 582.545 6.793 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 1772755091 MLGFPDNKEZUJJU-UHFFFAOYSA-N 545.730 6.938 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686793 AZARVZBDCIOQCU-SSEXGKCCSA-N 534.660 6.307 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)ccc1OCCc1ccccc1 1865688088 IXLOJPDQSHYPOH-RUZDIDTESA-N 564.539 5.938 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865689416 RQQDFXWGFWHBNB-HNNXBMFYSA-N 541.711 5.239 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865691322 PLOBQBJZXXGMBX-HSZRJFAPSA-N 558.436 5.712 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865695435 CLHQSPWVHIMXLW-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698361 QXQRRJVGMPIYRJ-VWLOTQADSA-N 559.464 6.364 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702680 ZBCRVVFHQXKLMH-HSZRJFAPSA-N 547.384 5.676 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711770 HQMOEXPSBSZCAC-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712177 RLPDXTOGFCMIBR-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCCC[C@@H](NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1)C(=O)Nc1ccc(SC#N)cc1 1866602002 ZJWCAMOFXPHXFP-RUZDIDTESA-N 552.766 5.976 50 10 KKGE CC(C)[C@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866744243 XHTZLAHKHRUGFB-IZZNHLLZSA-N 505.615 5.600 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867117753 UZYBGERQBYRZAZ-OZXSUGGESA-N 507.606 6.374 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccncc4)C3)n2)cc1 1868545322 VNUCZGGEQGMQND-SANMLTNESA-N 522.678 6.731 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)c(C)c5)cs4)cc3C2=O)c1 1872749653 BEOPZRWXFGKVHP-ROMGYVFFSA-N 509.562 6.625 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)ccc1OCC(=O)N(CC)CC 1872791325 DMKHSRPENAUFLI-KGENOOAVSA-N 505.640 5.837 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCC 1873795669 WLWIDIHKWRTLLT-MIAXLKPRSA-N 505.700 6.214 50 10 KKGE O=S(=O)(c1cc(Cl)c(Br)s1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915171245 WYZORTZFAWRXCK-CQSZACIVSA-N 513.704 5.528 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2scc(Br)c2Br)c1Br 1922913070 UCADTOFPHRFGRT-SSDOTTSWSA-N 588.804 7.652 50 10 KKGE C[C@@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)CC(C)(C)C 1924591573 SEWYAEBKOCOSKI-YUMQZZPRSA-N 525.970 7.934 50 10 KKGE CCC[C@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605727 WFQMKBDXNIXPLT-SCZZXKLOSA-N 525.970 7.934 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924617042 WSOYDMRTHLDQQC-SECBINFHSA-N 556.314 7.574 50 10 KKGE Clc1sc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)c1Cl 1925620000 HAMSMZMGPJGIGP-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE Cc1ccoc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496459 WTOJFBSAYHUSRS-NSHDSACASA-N 566.707 7.122 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 2137640486 PTBWWDQTQYIYLM-NSHDSACASA-N 554.323 7.182 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)ccc1I 2145957238 OIZGMILBMNPCGO-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2203685667 MXADBGILWHKHIK-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cc1ccc(Cl)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206396444 WUQKCRJNRQBLTB-CQSZACIVSA-N 566.740 8.027 50 10 KKGE O=C(c1ccc(Br)cc1I)N1CCC[C@H](CCBr)CC1 2207264939 LFOYSNBXHHQMBW-LLVKDONJSA-N 515.027 5.081 50 10 KKGE Cn1nc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2226975424 WLZUOTNQORVPCO-LURJTMIESA-N 513.242 5.785 50 10 KKGE BrCC(CBr)(Cc1nscc1Br)c1ccc(Br)cc1 2227092459 QIIBNYUJAKFPIC-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234056625 JABNSXIBWFCVJN-MOPGFXCFSA-N 512.673 6.857 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2235610856 HVMBPWOKLXOFQP-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(I)sn1 2277989271 IPCAPRQKTLMZMP-NSHDSACASA-N 537.442 5.965 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2280676090 AJHNTQCQMVCANQ-INIZCTEOSA-N 525.904 7.582 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283576059 BMBYMIFSJKPPJU-CYBMUJFWSA-N 550.843 6.853 50 10 KKGE COC(=O)c1ccsc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2F)nc1-c1ccc(OC)c(OC)c1 2295669943 PCTAXGIXRUNTDC-UHFFFAOYSA-N 546.580 5.148 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=CC=Cc2ccccc2)n1-c1ccccc1 2297100820 QPVYKWIVQROQOE-OAQYLSRUSA-N 622.536 6.088 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1scc(Br)c1Br 2299487882 AOFKEHUAUBMUQD-MRXNPFEDSA-N 595.976 8.099 50 10 KKGE Cn1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)nc1Br 2299503404 FLAXMSROIZUURV-QGZVFWFLSA-N 515.043 6.008 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2299523069 PSURSOHEKCPNIZ-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE Clc1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(I)c1 2301797369 WTOWQLLJHTVZSK-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571017 LMCGWKXNQTUIPN-UHFFFAOYSA-N 672.100 7.183 50 10 KKGE Clc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314451701 HGJVYYKBYIFDDC-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592045 KQSVKZRZSAKJGJ-MUUNZHRXSA-N 525.674 6.582 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2)C(C)=C(C#N)C1=O 2314611681 YXTOAEZJWWIDKY-UHFFFAOYSA-N 536.676 6.891 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 2314619933 HHHLIMKYJCWBPR-UHFFFAOYSA-N 572.665 6.172 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)c(OC)c2)c(OCC)c1 2314735925 KAJBXEXUFSDFOV-UHFFFAOYSA-N 527.573 5.762 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 2314736924 BPOBRDSGUXNQOI-UHFFFAOYSA-N 593.680 6.399 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 2314773869 GXWVTLZRVRIFEF-UHFFFAOYSA-N 520.607 5.943 50 10 KKGE C[C@H](C(O)=C(C#N)c1nc(C(C)(C)C)cs1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2331306039 BYNOEVOYNZVEBQ-SSDOTTSWSA-N 519.237 6.532 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 2331318509 SRPOWHCDTWLXKL-HXUWFJFHSA-N 517.607 5.621 50 10 KKGE CC(C)C[C@@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331403938 NFPGPIOTSSSWPD-NRFANRHFSA-N 512.418 6.620 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)ccc1OCc1ccccc1 2331467607 KHRKKASKJUTIGW-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1C1CCC1 2333303444 DLIDZZCIVGUWPU-PSQXESDUSA-N 536.327 7.453 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Cl)ccc2Br)c1Br 2362234915 JIJIPTUABXWZJA-NSHDSACASA-N 570.703 7.904 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(F)c1I 2365189964 ZXKITDUACYPOAY-NSHDSACASA-N 580.830 6.887 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651502 OSZIPYJROSVWRF-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCCC(C)C 38660353 QXSYGELEOFZDLT-MHZLTWQESA-N 502.542 5.697 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OCC 38683774 PXTASANXEZPFQP-MHZLTWQESA-N 500.551 5.320 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCCC(C)C 38684341 XNAGEDXGWUVFMZ-NDEPHWFRSA-N 516.569 6.087 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 58894701 SYWGRAGWEUULAE-FLKJSLTKSA-N 524.448 6.359 50 10 KKGE C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 96584997 NKOHUIVKVFKBDS-IRISZBEPSA-N 506.238 6.148 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OCC)c2)c1 97499151 QUEOLLRHGLLNPM-BKUYFWCQSA-N 521.411 6.371 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1 100235644 NVKYNZNNRHXXIB-DOCWCXJCSA-N 604.339 6.462 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 100236268 DZNXSYNNTNZJAG-DVMDLWDRSA-N 589.914 6.443 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101231081 QXRPWCJNDPEUIG-MTDXEUNCSA-N 544.586 6.036 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101307531 NNROVPDJYWHMSP-HHHXNRCGSA-N 587.426 6.515 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365360 XKROOFSHWKEEOI-QGZVFWFLSA-N 557.258 5.891 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1 101378154 FEROLWHZFLXTEM-NDEPHWFRSA-N 527.577 6.381 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386358 HLPOZUVPBYGQHA-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101388294 IXRVWYOFZCVUIR-UMSFTDKQSA-N 611.094 7.137 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)c1 101388316 NMBRFVVOTUXYFG-UMSFTDKQSA-N 625.121 7.934 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(F)cc1 101389449 OFVMASNCUYFPOL-JGCGQSQUSA-N 626.637 6.267 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)cc3)c(C)c2c1 101397670 WSXDVRYLRAZVNN-YTTGMZPUSA-N 591.063 7.973 50 10 KKGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1cccc2ccccc12 101493423 CHWVZPNGTDCWEL-UHFFFAOYSA-N 531.326 5.398 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)sc2c1CC[C@@H](C)C2 101645309 XTCJORHWFJSKFE-OZBRXXBKSA-N 556.084 6.446 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 101727337 YNXFTMZOEZXYEJ-PNQUVVCRSA-N 592.957 7.600 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101727619 NESOISQLJHABTC-XKJRVUDJSA-N 562.931 7.592 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1OC 101827223 HUSPNOOLBSEALC-PXLXIMEGSA-N 567.107 7.677 50 10 KKGE C/C(=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 102980195 ZEZNHFFXIFWQAZ-CEUNXORHSA-N 543.674 5.659 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 103742317 MPQWZCXUBLIVRW-SLSCBCEPSA-N 542.875 7.020 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Br)cc1 103879732 HGBRDFYTSUXTRR-HPNXWYHWSA-N 608.536 7.957 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N 103884485 YFCDXCCSYYROFY-OVVQPSECSA-N 567.487 5.884 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(=O)n(-c2ccccc2)n1C 106017887 HFZLAYBUJFLHCQ-HAVVHWLPSA-N 540.583 5.629 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCBr)OC(=O)CCCCCCCCCCCCCCCCC 150387942 DWQSVMJWGAFBMN-KDXMTYKHSA-N 811.961 13.493 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(C(C)C)cc1Br 150389018 OBDVPUMWUWCHMI-UHFFFAOYSA-N 702.263 6.039 50 10 KKGE CSc1nsc(SCC(=O)Nc2ccc(SSc3ccc(NC(=O)CSc4nc(SC)ns4)cc3)cc2)n1 150428009 QSHFNJMVZUZMIO-UHFFFAOYSA-N 656.978 7.094 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 150429538 BKGRUODFASUIHB-WGNDPNKDSA-N 637.312 5.995 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 150442182 VNNKZYZNLREAGW-NELIPXIQSA-N 840.927 7.288 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150482956 NSCMIDJIDSBHAY-MHZLTWQESA-N 668.385 9.531 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 164627319 HZFKTODBEHIEQZ-WSBIKYRQSA-N 647.606 9.510 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 205782570 VLMAJMWZZJYAIX-LUNPLWTBSA-N 648.741 5.253 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214234700 ZECYWEKLKAFVPE-YQYKVWLJSA-N 556.666 6.901 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 214335693 MUKGFEMVTSKQSO-GXRAVQHVSA-N 570.693 7.380 50 10 KKGE C[C@@H]([C@@H]1CCC[C@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)P(C1CCCCC1)C1CCCCC1 218246561 BLYORWLXGDDPCI-JDRLREMTSA-N 750.629 12.899 50 10 KKGE CCCCCCC[C@@H]1[C@H](CCCCC)CC[C@H](CCCCCCCCCN=C=O)[C@H]1CCCCCCCCCN=C=O 238808759 AMUBKBXGFDIMDJ-OQYJSAOUSA-N 586.990 12.099 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]12C 254290415 MAIKGBHVJKDTPG-BUKDWXDPSA-N 583.560 5.260 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C=C/c3ccccc3OC)n2-c2ccc(C)cc2)cc1 254303216 JLVZMXZDOFCRCG-XHFWYXIUSA-N 513.623 5.167 50 10 KKGE C/C(C=NNC(=O)CNc1cccc2ccccc12)=C/c1ccc(/C=C(\C)C=NNC(=O)CNc2cccc3ccccc23)cc1 254372586 RINRJDWQJOBHBI-XMGZSZSXSA-N 608.746 7.228 50 10 KKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3sc(N4CCOCC4)nc3-c3ccccc3)cc2)cc1 254555665 DKODHHBFOWQDJV-UHFFFAOYSA-N 554.716 6.287 50 10 KKGE COc1ccc(C=NNC(=O)c2sc3ccccc3c2Cl)cc1COc1c(F)c(F)c(F)c(F)c1F 254594723 XJFDAXCSBPZGQQ-UHFFFAOYSA-N 540.897 6.602 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3)ccc21 254743945 GUAQXKZBIYLQKG-UHFFFAOYSA-N 544.684 6.613 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)OO[P@@](=O)(O)OCC[N+](C)(C)C 263583929 FNTDHZPGGKYWES-ZPIZRLROSA-O 764.103 10.441 50 10 KKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccc(Cl)s2)c1 263628631 BATXVFWKYREDJR-UHFFFAOYSA-N 501.995 6.432 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1 725446090 KHXCFBWMOUGJEJ-UHFFFAOYSA-N 592.117 6.048 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725447038 NSRQTAYGVMURFO-UHFFFAOYSA-N 648.410 6.505 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1083916236 AAEOLSXPGIRUGD-NDEPHWFRSA-N 591.502 6.553 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1083936091 BHSGXSJUGUVPRB-UHFFFAOYSA-N 638.518 7.265 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc(Cl)cc1 1083967200 CSKLKFMXJBRISS-DEDYPNTBSA-N 527.835 7.509 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)cc1 1084314133 XZBNIMLAQJKGBO-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccccc1 1084325004 VMJBISYICJUSRP-UHFFFAOYSA-N 509.937 5.095 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 1084341039 FGOBKRWXSJYHJL-WOJGMQOQSA-N 501.797 7.170 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccccc1OCc1ccccc1 1084408849 WVXIFEIHQXETHX-UHFFFAOYSA-N 568.265 6.473 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1084520586 HHDMKRQKIAQCRS-UHFFFAOYSA-N 553.662 6.612 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 1084613982 FYYFDJVMQKMTIG-YDZHTSKRSA-N 519.439 6.898 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(O)cc3)CCC4)ccc21 1772744185 AUEZSOSMJLVEOL-UHFFFAOYSA-N 520.589 6.144 50 10 KKGE Cc1c(C(=O)Nc2ccc(F)cc2F)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772745408 YDEAYNWBDJPGLO-UHFFFAOYSA-N 502.315 5.351 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747837 SAMJKPHXNDDBGP-UHFFFAOYSA-N 535.320 5.487 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)c1 1772752463 QWCMFJKUBPOBHD-UHFFFAOYSA-N 554.872 5.980 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685615 KVYDCZNIVYLYBC-QFIPXVFZSA-N 555.824 6.924 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc(Br)c1O 1865688399 RCRYPOZSFTVKIM-OAQYLSRUSA-N 530.382 5.019 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865688695 YLUXNLHBRYHIHG-MRXNPFEDSA-N 555.738 5.629 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1c(Cl)cccc1Cl 1865689216 MUTLKXXZBMOGGY-GDLZYMKVSA-N 575.496 6.969 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)cc1 1865690725 ZNZAQNJNNQRJDR-SANMLTNESA-N 571.475 6.707 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865691546 VFDMPYQPPPDLNZ-JOCHJYFZSA-N 523.431 5.521 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695528 DNYSEGNWAANZPZ-IBGZPJMESA-N 550.240 5.826 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702122 NFVAEFWWRJFCSL-HSZRJFAPSA-N 531.385 5.727 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703672 YSCJCSFPFBBQKC-MUUNZHRXSA-N 521.621 5.724 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704060 LTJRKOCKOMANFO-GDLZYMKVSA-N 533.031 7.038 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704738 CUCFZUQTACLQRD-RUZDIDTESA-N 555.432 6.025 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705735 DLDNVXBDRUZPGU-SANMLTNESA-N 515.529 5.827 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709696 ZRVWNVKDDBYKJP-VWLOTQADSA-N 506.562 5.140 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711632 DFBAFUWFCHMGPE-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730425 VPIONOZLJLFIGH-IZZNHLLZSA-N 527.646 5.281 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@H](c4ccc(F)cc4)C3)n2)cc1 1868320808 OGOFQWWGGFNYMZ-SANMLTNESA-N 510.642 6.401 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Br)cc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414778 PZWIAKWUCSRSBA-XMMPIXPASA-N 578.923 7.454 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)[C@H]2CC(C)C 1868456066 IWYYOFIPVGDYIW-NDEPHWFRSA-N 523.681 8.058 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1csc(Br)c1Br 1902794265 IASKTFSHYSEHDH-LBPRGKRZSA-N 526.088 5.373 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Br)cc(Br)c2)c1Br 1922889997 ZXMSVRFBRYAATO-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE COc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923065542 DPPOJRIBNHNKPA-VIFPVBQESA-N 509.872 7.026 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923066687 TUCPTJWPWJMEPD-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Cl)c1ccc(I)c(Br)c1 1924054929 CITPLZBPBXAUDS-CLAHSXSESA-N 515.414 6.295 50 10 KKGE Clc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924583296 IIDGFXHJOXNIIV-MRVPVSSYSA-N 524.297 7.173 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3c(s2)CCCC3)c1Br 1924601114 VHVZXGRABAZEDP-JTQLQIEISA-N 549.973 7.460 50 10 KKGE Brc1cccnc1C[C@H](Br)c1cc(Br)c(Br)s1 1924906577 JHDPSPDWOUNJOL-ZETCQYMHSA-N 504.867 6.109 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1I 2026130683 KWBCVNRXECHAIC-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Cc1nc2c(cc1Br)nc([C@@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2035582418 SVNJXXXHEIELPV-LJQANCHMSA-N 511.895 6.895 50 10 KKGE C[C@@H]1OC2(C)CC1([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2038997471 TZNXLHCAUSKFEN-ZISPUGJISA-N 523.910 6.429 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2I)cc1Br 2087570152 OGYQKUJYZXQYAK-AWEZNQCLSA-N 558.877 6.803 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1cc(I)sn1 2120034734 ZEOATKTWZSRBHP-GFCCVEGCSA-N 517.024 5.620 50 10 KKGE CCc1cscc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470664 JFQQYJFGKIGQAV-CYBMUJFWSA-N 552.351 7.689 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399953 NKQMSMMXFSQWMV-OJMIUMIFSA-N 594.805 7.855 50 10 KKGE Cc1ccc([C@H](Br)c2sc(Cl)cc2Br)cc1I 2213001179 PTEJBMRAUGTUNX-NSHDSACASA-N 506.428 6.561 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2ccccc2I)c1C 2218791634 DNFIBKACOUCQOQ-LLVKDONJSA-N 500.037 6.411 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2225614979 BKRPCBSMPCJSPX-ZDUSSCGKSA-N 583.258 7.046 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2232833586 OBISFFUNSRLUMW-NSHDSACASA-N 524.838 7.698 50 10 KKGE C[C@@H](CCn1c(CCCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2234067270 MILHWBXEVFYYSD-HNNXBMFYSA-N 513.705 6.253 50 10 KKGE Cc1c(Cl)cc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2237440406 RNPPVMXXRUDNCX-CYBMUJFWSA-N 501.871 7.506 50 10 KKGE CCc1cc([C@H](Br)c2cc(Br)ccc2Br)sc1Br 2256050567 BZZJXVAXZBDIMB-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cocc2Br)c1Br 2258117558 LRJIJKDEZQUEPC-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CCCC23CC3)c1Br 2281364895 PQXDEJAXRSIBPH-BDAKNGLRSA-N 594.805 8.143 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 2297488376 VQQYRDKQRVSQBY-UHFFFAOYSA-N 532.572 6.417 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1Br 2303544242 AIALKXCYPTXZAH-HNNXBMFYSA-N 520.059 5.312 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1 2313548758 FFLCMHROXNOMJO-UHFFFAOYSA-N 572.459 7.631 50 10 KKGE C=CCN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 2314397581 ZMJIEYVMTVLJAJ-UHFFFAOYSA-N 539.872 5.281 50 10 KKGE Brc1cccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501231 VNXWAONIHBISDO-HXUWFJFHSA-N 525.078 7.469 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3)c(Oc3ccc(Br)cc3)nc12 2314533135 OXKPWOWJSPYQIO-UHFFFAOYSA-N 535.785 5.757 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)c1 2314591997 JCXLOGXRANDDJT-RUZDIDTESA-N 502.039 6.330 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592504 VVKVWXJWLJJTOJ-HHHXNRCGSA-N 527.646 5.892 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593326 LFQWMIWTRSOLCQ-WXTAPIANSA-N 584.063 7.225 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 2314618287 KSKKEWQJQUKBLB-DEOSSOPVSA-N 542.639 6.682 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618569 PTIOXKLEHRPYRK-UHFFFAOYSA-N 655.582 7.832 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 2314640730 SJUOBGOPSSPYFR-UMSFTDKQSA-N 591.107 8.053 50 10 KKGE COc1cccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)c1OCc1ccccc1Cl 2328835342 USMJVWUMXWFWQX-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE CCOc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1c(Cl)cccc1Cl 2331051561 LGXLVEWPHROQSJ-UHFFFAOYSA-N 527.360 6.715 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)c1 2331325071 GJMNLXQNIQZTPL-CQSZACIVSA-N 511.987 5.335 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 2331402669 DKNSDCKXXOMMSR-OAQYLSRUSA-N 501.652 6.406 50 10 KKGE CCCCCC[C@H](I)CC[C@@H](I)CCCCCCCC(=O)O 11616644 ITMYMILZKSEQKJ-IRXDYDNUSA-N 536.276 7.160 50 10 KKGE in-man Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(=O)n(-c2ccccc2)n1C 29491663 DYLKAXBAEUJYTC-HFTWOUSFSA-N 661.788 5.303 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40813058 VDJBBXNXPKEDMG-RDRPBHBLSA-N 500.433 5.238 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 58891932 QVYIPGVWCGQEKO-MAGAZJOKSA-N 507.428 5.721 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N2C(N)=C(C#N)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)c2ccccc2)cc1 59211830 URDTZYYSLOPJPU-IHLOFXLRSA-N 562.651 5.045 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1ccccc1I 97353799 CXDKJPKMPKYPAA-SECBINFHSA-N 508.528 5.535 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190902 ABEMJLINXBGSPN-QGZVFWFLSA-N 550.519 5.102 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc2c(c1)OCO2 100231908 BRGQAMSDMZFFBN-AKDZIANASA-N 555.425 5.119 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 100327931 VARHVAKBMOUEAO-WHXCVRPHSA-N 623.285 5.605 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)cc(C)c1Cl 101065569 REFLNYZIHYQPNR-TURZUDJPSA-N 529.818 6.310 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101293426 DHXCGQANZRSBTQ-UUWRZZSWSA-N 588.660 6.975 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101336677 ARSDNKZMXVJJFE-UVHMKAGCSA-N 518.617 5.726 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Br 101336923 QTWDRAVVWKXOGC-XMHVBLFMSA-N 573.447 5.082 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101337081 GBMWKTFVGPTESD-HQUMBPMSSA-N 588.639 6.029 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 101362282 CONSOIYDNRIKMH-YTTGMZPUSA-N 530.624 6.821 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101372045 ZQXUMNKZKVOGAH-MUUNZHRXSA-N 577.475 6.854 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101378128 RRUWLCQECWRACM-DEOSSOPVSA-N 602.556 6.934 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384694 DKJMDAIYOUDZSJ-JZVRGSIDSA-N 569.444 7.409 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385955 RXCZQYZEQPOAOE-HKBQPEDESA-N 553.014 6.294 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386480 LJRPQYUHIPGSLD-HKBQPEDESA-N 603.458 6.784 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101389478 RTIIDIIBNJOZEA-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 101390785 JWJDQZBNJPXTQC-VWLOTQADSA-N 531.033 7.171 50 10 KKGE COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccc(Br)c3)nnc2-c2ccc(C)cc2)cc1 101408916 NWRNOGPAJLCTFM-MTDXEUNCSA-N 550.482 5.646 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 103742226 DPYKVXWSRZPSMD-KVHSSYOWSA-N 563.293 7.365 50 10 KKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150411373 WAONGLGTIFMVPI-FGZKMHPOSA-N 632.742 5.491 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 150462707 GCCIFUPPMCBJJZ-JGFAXXQYSA-N 630.726 5.329 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498088 YRRBBDLGJWKMHK-WYKZWNNJSA-N 645.785 5.795 50 10 KKGE O=C(OC[C@H]1O[C@@H](N=C=S)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 150670865 RITGYQZMPNVVEG-NZUWZFMJSA-N 637.666 5.348 50 10 KKGE N#Cc1ccccc1COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1I 163798559 CWGRSEJZUDGNBG-XKJRVUDJSA-N 679.106 6.777 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc[nH]c43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 195830773 ZUFMOUFQBYZIHB-JFOZTMRSSA-N 885.088 9.094 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206398004 UVHVISRHRXMKSG-WUDIEWAJSA-N 521.573 5.220 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OC(=O)c2ccccc2)[C@H](C(F)F)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 212901292 PYMMPVAYGZWPSQ-YTCPBCGMSA-N 609.786 6.289 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214350854 BTQKWOQKSNDUAE-QOMWVZHYSA-N 500.639 6.269 50 10 KKGE Clc1ccc(C[C@@H](Br)c2cc(Br)ccc2I)cc1 236045805 XBFXBWHFLONHHS-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE C[Si](C)(C)OC[C@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 247532667 PJXWXHJDJODISP-UWHLTILDSA-N 541.071 6.076 50 10 KKGE CN(C)c1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1Br 252632059 VPJDTJOUBZZQOV-UHFFFAOYSA-N 617.875 5.533 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 254839780 JZLYZHPINMFOHL-UHFFFAOYSA-N 538.729 7.854 50 10 KKGE Fc1cnc(Oc2c(I)cc(Cl)cc2I)c(CCl)c1 388109080 GXERVDHVCKNHRH-UHFFFAOYSA-N 523.898 5.614 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232384 OYSKUZDIHNKWLV-WCIOPUKYSA-N 663.406 6.422 50 10 KKGE Brc1cc([C@H](Br)c2ccccc2I)cc2c1OCCC2 689545131 VCLXGLZBDGCVOR-HNNXBMFYSA-N 507.991 5.863 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(Br)sc3Br)c2O1 720127518 XUQDNZNORHYVCX-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)c2ccc(C)cc2)cc1Br 725430181 HRIMATXDMRVIIC-UHFFFAOYSA-N 623.573 5.828 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c2ccccc2C)cc1 725446848 SOOUTTZWVPRNPM-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)C(O)(O)[C@H](Cl)CC(=O)CCCCCCC/C=C\CCCCCCCC 888085229 RIYQBPRTMOUGGW-PKJIHPHSSA-N 637.430 11.654 50 10 KKGE COc1c(C=NNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 1081098361 SHNPHGVHBOFCHH-JOCHJYFZSA-N 672.163 6.603 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818417 QXQZQDMMTWVWDX-MEBUQTMISA-N 654.920 8.706 50 10 KKGE Cc1ccc(COc2c(I)cc(C=NNC(=O)c3cc4ccccc4o3)cc2I)cc1 1083928686 RTSQMSPFZNGQGM-UHFFFAOYSA-N 636.227 6.293 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1083948468 ZUZWYJNQZUCAQP-UHFFFAOYSA-N 594.067 7.186 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccc(C)cc2)cc1 1083993225 YTYWIXFZWDKYMI-UHFFFAOYSA-N 574.772 6.087 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1 1084044257 OBKRKZMHMZGHHG-UDWIEESQSA-N 524.358 5.733 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 1084147609 AWRHXGMOSUZFEY-VGOFMYFVSA-N 637.053 5.232 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 1084249328 RBWMNWMGKVPREV-UHFFFAOYSA-N 633.373 8.865 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 1084331609 UQBNVOGSPIZLCK-UHFFFAOYSA-N 524.327 5.455 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1c(Cl)cccc1Cl 1084332326 FRDAEZWVBUHSDF-UHFFFAOYSA-N 516.200 5.193 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1084371207 OHFREYPIMPSCMR-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(OC)c(OC)c3)cc2)c2ccc(C)cc2)cc1Br 1084426482 YOYJIGXCWHDYDT-UHFFFAOYSA-N 666.594 6.333 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1 1084506051 DLGQUWWPVQIIQM-UHFFFAOYSA-N 622.200 5.985 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1 1084516481 MFUXURJPULFRMX-UHFFFAOYSA-N 644.090 7.450 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc2ccccc12 1084608473 JQKQBWKTHKGFJU-UHFFFAOYSA-N 608.286 7.463 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752420 JPMBVXOKYCLYAP-UHFFFAOYSA-N 567.654 5.855 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(C)cc1 1772755084 LRQCHNAGMHTZOG-UHFFFAOYSA-N 582.545 6.711 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682603 SHHYPKOLNWCOAG-SANMLTNESA-N 525.052 6.776 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683653 HDZQSVXISQBOEN-SANMLTNESA-N 504.977 6.573 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1Cl 1865687940 DNIBVVKBPDVNBR-AREMUKBSSA-N 504.977 6.573 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2c(OC)ccc3ccccc23)cc1 1865688282 OMXLIVUANRSDMQ-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695163 LNVPSSXSGCPNLD-MHZLTWQESA-N 511.025 6.253 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697344 QFYYPQISAPBKHB-MUUNZHRXSA-N 506.606 5.673 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)ccc1OC(C)C 1865697588 XIAZCCYWNUVOJQ-RUZDIDTESA-N 557.448 6.316 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701024 JYCXNTBXVORJCC-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OCc1cccc(C)c1 1865705416 VGDZFZTXEAGZHQ-GDLZYMKVSA-N 540.623 6.654 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865708770 FTGPGRXIAOQILN-HSZRJFAPSA-N 547.398 5.859 50 10 KKGE CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)cc2)CC1 1866902948 NFWLCZHGTHXCSP-MUUNZHRXSA-N 587.721 5.073 50 10 KKGE CSCC[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(SC#N)cc1 1867069057 KUHUYWHZXOGBKT-HXUWFJFHSA-N 514.673 5.332 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3cc(Cl)ccc3Cl)n2)cc1 1872753320 RELASMPHFZCLMK-FLFQWRMESA-N 517.478 8.338 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 1872754356 OTKFALNYPYGHKG-GYSBHSFWSA-N 515.635 6.066 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)c(Br)s1 1902779499 SNMFFEOYFHAMQA-GFCCVEGCSA-N 526.088 5.373 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915128570 RZDLHYVPJQTYED-ZDUSSCGKSA-N 504.060 6.028 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(I)ccc2Br)c1Br 1922888672 RILIPQQDWLIPIV-JTQLQIEISA-N 629.775 7.433 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1924596359 NLKLEPYEFLNUSA-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1OC 1924601407 LASKMKSNQYPXQQ-SNVBAGLBSA-N 549.904 6.537 50 10 KKGE Cl[C@@H](c1ccsc1Br)c1c(Br)sc(Br)c1Br 1924612834 OEBFQWTUARZEGI-LURJTMIESA-N 530.326 7.188 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2csnc2Br)c1Br 1925271826 SYFWIOIXXDAZQZ-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE COc1sc([C@H](Br)c2scc(Br)c2Br)cc1Br 1946737905 KCBINWSNLYFJAR-QMMMGPOBSA-N 525.907 6.590 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2083333846 KAFMNZGTOKDHSW-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Cl[C@H](C[C@@H]1CC[C@@H]2C[C@@H]12)c1c(Br)c(Br)cc(Br)c1Br 2141469816 XCDSPGFIJAJRBU-FBSDJGSXSA-N 536.327 7.453 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)Cc1ccc2c(c1)CCO2 2168656465 ZGVVXEBIHBZUOO-HNNXBMFYSA-N 507.991 5.667 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)c1Br 2206401330 IPHQIGDYRDXDSB-UMCLFIRUSA-N 592.789 7.465 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ncsc2Br)c(Cl)c1Cl 2217613968 UFDRSSLKDOSJOX-ZCFIWIBFSA-N 515.279 7.113 50 10 KKGE COc1cc(CBr)cc(Br)c1OC[C@@H]1CC1(Br)Br 2217994007 DBRBDNGELNMJNF-QMMMGPOBSA-N 507.842 5.237 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(I)sn2)c(F)c1Br 2220510517 ONOSXBNUVXZHJV-VIFPVBQESA-N 512.914 5.412 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1C 2221246388 OWLFMTUCRAYYTL-QMMMGPOBSA-N 537.962 7.507 50 10 KKGE Cn1nc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1 2226974263 JNUHXBGJPUZUHJ-MRVPVSSYSA-N 646.595 6.112 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2241002420 VHVMNGAVYZIZSR-GFCCVEGCSA-N 524.838 7.651 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2255900085 DOVDCDNMZPXJCO-SECBINFHSA-N 589.287 7.108 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)s1 2256339670 VXIRZVGSDSAXIT-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE Clc1ccc([C@@H](Br)Cc2cccc(Br)c2)cc1I 2256358892 GARUFQUEXFGAIM-LBPRGKRZSA-N 500.399 6.386 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cccc(Cl)c2Br)c1Br 2283187411 GJUURRCPMMZQQP-VIFPVBQESA-N 513.398 7.430 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccccc1Cl 2294217779 PLFPZUYHHSWRTH-UHFFFAOYSA-N 629.088 6.084 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3ccccc3NC(=O)c3ccccc3Cl)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642428 DMXPKHGQUDHEGW-SIULHXHJSA-N 676.210 5.021 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1ccccc1 2313541396 FOVKWMMETXWPAE-UHFFFAOYSA-N 593.646 6.832 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1c(Br)cccc1Br 2314454718 IMKFDLXBHHKSRU-HXUWFJFHSA-N 589.947 8.037 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 2314477861 AVJBKGUXPAUHHD-UHFFFAOYSA-N 566.082 7.419 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314477882 BFXXNKAOKONHRU-UHFFFAOYSA-N 575.068 7.716 50 10 KKGE Fc1cccc(Br)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501124 UMMYZFWGPGJRQH-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592866 CYRLCXGNVMXMHY-XMMPIXPASA-N 538.456 5.745 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314610115 CURRZSQFXXPMGR-HSZRJFAPSA-N 597.741 5.208 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1CCc1ccccc1 2314753265 RVBFDVUVDXTUSM-UHFFFAOYSA-N 520.585 5.906 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331325269 DKZUCZGSENNVRW-WNSKOXEYSA-N 503.580 5.331 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 2331361470 WQAFIUGPELPVFZ-HSZRJFAPSA-N 501.608 5.939 50 10 KKGE Cc1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)sc1Cl 2337090646 PXVFDLCHDNESND-SECBINFHSA-N 511.863 7.512 50 10 KKGE Cc1ccc([C@H](CI)OCc2c(Br)cccc2Br)cc1 2366145583 UYXIXPONXAOJNC-INIZCTEOSA-N 510.007 6.213 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 2089561 ZOCYOQCMSSJFGU-XZOQPEGZSA-N 525.476 7.132 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C)cc5)ccc43)cc2)cc1 38686240 SFERXBGGAVOVSH-PMERELPUSA-N 502.570 6.320 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 38686775 CACXRNFIBZVVNP-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 40530143 VVPKMBZMMILMST-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)o2)c1 59679816 JCSUBYBPLLERFY-OPEKNORGSA-N 501.720 5.659 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1 100040477 AVAFJBYKDXXRTD-UHFFFAOYSA-N 604.751 5.676 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCC(C)C 100189771 LQVNXXZWXTZUHX-UHFFFAOYSA-N 607.137 5.547 50 10 KKGE CC[C@@H](c1ccc(OC(=O)CBr)cc1)[C@@H](CC)c1ccc(OC(=O)CBr)cc1 100270394 DYLZYDLNNJQIMD-PMACEKPBSA-N 512.238 5.975 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)C1=O 101333288 PMZXDCIABNCMQA-ZFOBRQHDSA-N 506.606 5.645 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101334253 VGVMMVKMIQNAQS-XGRSMDHESA-N 556.666 6.818 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 101339956 RDZHVVDWMRZXIQ-RDRPBHBLSA-N 607.110 7.173 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCC(C)C 101374369 GVAHHPZJNQDSLS-LJAQVGFWSA-N 549.023 5.894 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101375306 NRKICLWMILGNMA-HKBQPEDESA-N 621.528 7.009 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc(OC)c1OC 101380773 FCECSVKXFHZGGM-SSEXGKCCSA-N 582.584 5.868 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385240 VIXISSGUDBQQFO-PWXLVQELSA-N 579.052 7.073 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 101391755 FNNJRPSCHKBVBV-OAQYLSRUSA-N 538.368 6.554 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCCC(C)C)c3)c(C)c2cc1Cl 101396435 UCUVKUFWIMJKQQ-GDLZYMKVSA-N 557.046 7.565 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101397078 JBPIVONIMYZDEK-JOCHJYFZSA-N 571.869 7.698 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399802 AEEKPRBEHOSBCA-XIFFEERXSA-N 621.089 8.118 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613629 MLTMGVYKMHWIPE-JWHWKPFMSA-N 531.534 6.997 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2cccc(Br)c2)cc1 101727259 OVDCAWDQFOQMMF-MZJWZYIUSA-N 538.492 6.394 50 10 KKGE CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)ccc21 102328356 GVMOZMQLYCRNGD-PGMHBOJBSA-N 536.617 5.259 50 10 KKGE CCOc1ccccc1N/C(SCc1ccccc1Cl)=C(/C#N)C(=O)NCCc1ccc(OC)c(OC)c1 102737773 CJARVHCNPSNRBJ-QUPMIFSKSA-N 552.096 6.195 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1 103796775 WIEDLQFPRFXDDV-SBWWSWLISA-N 579.700 8.348 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(Br)s1 128262744 FOYJEZRNBYWYOJ-JTQLQIEISA-N 507.842 6.659 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 150386519 ZIOPTNAQQBNLAA-WOMLOCPUSA-N 649.788 5.330 50 10 KKGE biogenic CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 150422527 WMDFRLQTHMOLAW-DQSWQQFISA-N 627.306 6.540 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433014 YAKWFRSWMVKQLK-UMSFTDKQSA-N 645.539 7.791 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 150486224 ZJVMOFUGHPAEHB-YTTGMZPUSA-N 653.603 8.967 50 10 KKGE C[C@]12CC[C@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 196703783 DUBRZSYNDDSLBA-MMDAAWKASA-N 729.429 10.741 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 205667141 YMLYGVXZUUIZRW-IWWZGYLZSA-N 518.544 6.242 50 10 KKGE CCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1OC 207206423 ZBYZQJLEBMAOKR-XKZIYDEJSA-N 516.619 6.033 50 10 KKGE Cc1cc(C)cc(P(C[C@H]2CC[C@H]2CP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 207398880 REZOVLQIMMUCQH-AQOUDTPCSA-N 564.734 8.746 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1 214297834 YYSMUQCONXVBFZ-RRAHZORUSA-N 554.716 6.450 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 214429022 IEPQFLRIKUOXEY-USHMODERSA-N 552.631 5.264 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232344935 YGQVOFBAAQUZIU-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)O[C@H](c2cccnc2)[P@](=O)(O[C@@H]2C[C@@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)cc1 245266192 JBWIQTGKLBLKDA-MJBQPXFTSA-N 650.797 9.387 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 252586703 RYMUPAJTFGODAP-UHFFFAOYSA-N 562.851 6.698 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OC2CSC2)cc1 252630906 VFRNVDZUZJCRQQ-UHFFFAOYSA-N 584.041 5.199 50 10 KKGE CCCCCCCC(=O)NN=C1CC[C@H]2C[C@@H](OC(=O)c3ccccc3)C[C@H]1C2=NNC(=O)CCCCCCC 254295565 PJTFIWCSJCSZJI-OYUWMTPXSA-N 552.760 6.697 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@]12C 254386355 RYGBTBAZCTXERG-WXXALINWSA-N 514.576 7.882 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2OC)cc1 254866596 MPWNIJBHWUWYAF-UHFFFAOYSA-N 540.572 5.247 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O[C@H]1CC[C@H](N(C)C)[C@@H](C)O1)[C@H](C)C2 575232770 ZFKWIQIRGQWRDP-VEWLCSKYSA-N 957.329 5.512 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616588704 MHNHIGWCUNOEFZ-HBEMUUHUSA-N 578.822 7.136 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)[C@]2(c4ccccc4-3)c3ccccc3-c3c2ccc2c3oc3ccccc32)cc1 642814228 RCSOTAHCYVQUHR-VZUYHUTRSA-N 590.662 9.688 50 10 KKGE O=C(N[C@H](CCBr)C1CCCC1)c1cc(I)ccc1Br 725037910 QWZDBUIULORWCW-CQSZACIVSA-N 515.027 5.127 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 885767274 OOEFJWPTKXCMDU-DOOYUZDQSA-N 639.126 11.358 50 10 KKGE in-vitro O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(OCc2ccccc2)cc1 1083942678 AJDBLAHPXIUASX-UHFFFAOYSA-N 606.542 5.412 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 1084034928 JHDYVKZBXIOMKC-UHFFFAOYSA-N 540.642 7.667 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084237106 CKXQLKJVONOMOL-UHFFFAOYSA-N 660.536 5.672 50 10 KKGE COc1ccccc1C(=O)NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12 1084286558 QXMNETLKVJJAJX-UHFFFAOYSA-N 509.440 6.332 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 1084468480 SZGZNSHUPICLJZ-UHFFFAOYSA-N 600.015 5.039 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1 1084474262 LLVRWEMNGOMEOM-UHFFFAOYSA-N 518.205 5.563 50 10 KKGE COc1cccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 1084482336 LPGXLRWMLGJGAH-UHFFFAOYSA-N 503.780 5.463 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 1084494246 APXPPWDSMKVLHB-UHFFFAOYSA-N 532.350 5.278 50 10 KKGE C=CCOc1cc(Br)c(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1OC 1084596292 RRUBDLITGVERMU-UHFFFAOYSA-N 508.166 5.295 50 10 KKGE C/C(=N\NC(=O)[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525639 ASTJQFVIVLLGSJ-RTQHOZBZSA-N 797.956 7.899 50 10 KKGE C[C@H](NC(=O)c1cccc(Cl)c1)/C(=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 1616183173 VEETZZJNODFHSH-KRGRFUQQSA-N 572.893 6.602 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747020 CDVKSTCEGWVBQM-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747832 LDPUKFNEXYVWBV-UHFFFAOYSA-N 528.612 6.695 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccc(Cl)cc1 1772752408 HCWICDAWWYBANT-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCc1ccccc1C 1772753754 HHHNWRFDCLEMON-UHFFFAOYSA-N 539.470 6.172 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865688253 NXHLYNPOCAXNQB-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688305 OXTLCWPUMTXTRF-HXUWFJFHSA-N 571.353 6.129 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865692697 HMRPOBCPLUHBLI-DEOSSOPVSA-N 512.997 5.877 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865696070 BSUKLRSCUBARMB-OAQYLSRUSA-N 550.940 6.148 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1OC 1865696209 KTQMVUGFJLUCTB-LJAQVGFWSA-N 552.650 6.923 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698078 JULCKAFJCBGTCE-HSZRJFAPSA-N 537.458 5.579 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698396 SFQTUCOOBLBVNQ-DEOSSOPVSA-N 512.953 5.191 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865702269 RCECFDWOQMKLAH-MHZLTWQESA-N 540.067 6.325 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1865703641 XRCYQKKIQNXICI-NDEPHWFRSA-N 575.496 7.246 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703748 DTSANNXKEXMKLS-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704957 ITVQAGAFWGCKRM-SANMLTNESA-N 559.453 6.628 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc(OC)c1O 1865715218 ZHYXNHIBPFRIJV-JOCHJYFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2cc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866622153 HYSAMUOSRLGNLI-SANMLTNESA-N 571.684 5.101 50 10 KKGE CSCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132764 WYIHFSOSTOZESD-RDGATRHJSA-N 525.646 5.937 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)c(C)c1C 1872754440 SMZANBCUZADBSZ-XDOYNYLZSA-N 518.551 5.213 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)c(C)c1 1872756798 BEVNKISULVGEKQ-SAZRLAGUSA-N 513.062 8.474 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)c(C(C)(C)C)c1 1872758925 XAQGUNYJAUAKDG-LVWGJNHUSA-N 500.620 7.150 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)c1C 1872792938 YNOCHNPZJGCZJU-FSJBWODESA-N 519.497 8.994 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(CC)cc3)n2)cc1OCCC 1872818280 VIWAESRVBWQMOP-LCUIJRPUSA-N 506.668 7.602 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2Cl)C3=O)sc(/C(C)=C/C#N)c1C 1873427336 NRRRMXYDGYRTHO-JLHYYAGUSA-N 519.966 5.476 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 1873499531 ZZUUWFPZCCGHOG-ZTAUZCEESA-N 502.011 5.025 50 10 KKGE F[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1898078620 PYEPEZVDPWIVFA-AKGWXZBPSA-N 500.225 6.375 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CBr)OCc1cc(I)ccc1Cl 1904942666 MYBSNARIRSZABW-MRXNPFEDSA-N 518.617 5.140 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2sc(Br)c(C)c2Br)cc1Cl 1922897899 QPCZIUCSNULMMB-LLVKDONJSA-N 507.900 7.634 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(CCCO3)C2)c1Br 1924569361 UIWNHZLVAAOWCC-XMDDQKSNSA-N 523.910 6.431 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCc3ccccc3C2)c1Br 1924601487 XWKKPGZTVYBSKE-CMPLNLGQSA-N 543.944 7.277 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CCC2CC2)c1Br 2025779950 NJJGPLDQRYFOCG-SSDOTTSWSA-N 554.740 7.363 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12C[C@H](CO1)C2 2085499028 FFJODGKUSALKBY-XBZVRZDZSA-N 524.272 6.196 50 10 KKGE Clc1cc([C@H](Cl)c2csc(Br)c2Br)c(Cl)c(Cl)c1Cl 2093948171 UTAXYJSGGQFBCZ-ZETCQYMHSA-N 504.285 8.215 50 10 KKGE CC(C)(C)[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(F)F 2111372966 CQTSIWZKKQURRL-RITPCOANSA-N 547.923 7.789 50 10 KKGE C[C@@H](Br)C[C@@H]1CCCCCN1c1ncc(I)cc1Br 2133373443 RNIZLSGQTZKALK-PWSUYJOCSA-N 502.032 5.371 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1I 2136959705 VWFDGWBHAQBFNU-QMMMGPOBSA-N 526.344 5.203 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Br)c(F)c2)c1Br 2138852257 NCGHDYHUOPTZDH-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1ccc(Br)cc1Br 2138855543 XKYJTZSFHCWFII-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC3(CCC3)C2)c1Br 2141472066 ZIKFHNBUDPRRKV-NSHDSACASA-N 580.778 7.753 50 10 KKGE COC[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206399247 DWUREPTWAXHUBQ-OLZOCXBDSA-N 600.765 6.368 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399521 ISXXNYIJTDVKSZ-NSHDSACASA-N 659.605 8.123 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2coc(Br)c2)c(C)c1Br 2220148681 AIVPNLZGVRJVOJ-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(Br)c1F 2225635173 UDXZOYZSXITLKS-GFCCVEGCSA-N 519.803 6.737 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)c(C)c1Br 2227351534 MYSAFADDYCUCNG-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)c(C)c1Cl 2232529154 KTTCQSVTLPCTJB-OAHLLOKOSA-N 504.420 7.306 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)cc1Br 2235609056 MNVSNSCASCKQAI-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1I 2269548564 WPYVJHRWHDKVIU-AWEZNQCLSA-N 563.398 6.042 50 10 KKGE COc1ccc(Br)c2c1nc([C@H](C)Cl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2270572038 NUSBTZYUTQBOFU-FQEVSTJZSA-N 526.906 7.200 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2sc(Cl)cc2I)c1 2301084249 QXKFNPMIZCBVKT-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc2ccccc12 2313568476 VZTKFKHYNDXRFD-UHFFFAOYSA-N 513.641 6.403 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1C 2314486416 DTIAEPPILJDKRT-LJQANCHMSA-N 500.683 7.797 50 10 KKGE O=C(CCCN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 2314489172 PEIDDAJAEJKBSN-UHFFFAOYSA-N 537.132 5.609 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592869 DASQNCZNDRPOSV-CCLHPLFOSA-N 513.638 6.253 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593309 LCZUOYFACYBTNN-DEOSSOPVSA-N 550.478 5.908 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593370 LZGNCEUJVSVFRS-HSZRJFAPSA-N 542.444 5.728 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593861 VCKZORUJWHRCID-BCHFMIIMSA-N 550.511 6.914 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 2314616565 DSHOHPPQRWEQJE-UHFFFAOYSA-N 590.611 5.988 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1Cl 2314616687 HJBJJKKVERMCTE-UHFFFAOYSA-N 527.024 6.126 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314616759 JDMIVHAVGDUBCA-UHFFFAOYSA-N 540.623 6.205 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 2314617123 RASSICPJBYJAET-UHFFFAOYSA-N 534.660 6.562 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 2314618061 GLIZWBNFRBAIBV-UHFFFAOYSA-N 518.573 5.714 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 2314619083 ZLMPAFPTHFEJDY-UHFFFAOYSA-N 522.536 5.463 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1cccc(Cl)c1 2331046500 IMZJYPZFXBHRCL-UHFFFAOYSA-N 515.953 5.817 50 10 KKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331240064 LOCLCTUKRWFKKT-UHFFFAOYSA-N 503.583 6.439 50 10 KKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331358640 XMWQNQUNQKFEEH-UHFFFAOYSA-N 516.622 8.217 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(I)c(C)c1 2338016546 BSEDELWYPYLYJM-OAHLLOKOSA-N 514.064 6.860 50 10 KKGE FC1(F)C[C@]12CCC[C@@H]([C@@H](Br)c1ccc(OCc3ccccc3)cc1Br)C2 2361193166 XUOSHXQQRGSCGZ-MAODMQOUSA-N 500.221 7.680 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(Br)c1Br 2365192224 UXJDIEACBIJEQR-CYBMUJFWSA-N 550.285 7.512 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2365597426 GRHURAVQVAJDLK-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Fc1cc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Cl 2379771834 FJIWCWPSQHHYLI-NSHDSACASA-N 505.834 7.336 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C(SCc1c(F)cccc1Cl)SCc1c(F)cccc1Cl 3058780 TWEPFFHAFCBACB-UHFFFAOYSA-N 535.468 7.490 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)/C(C#N)=C/C=C3\N(C)c4ccccc4C3(C)C)c2C)c1 3188937 SBCORFPXYNZTNE-FQJIBUFESA-N 537.616 5.612 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650831 CXAKAOZLLWTQMS-XRHLQHRESA-N 502.542 5.596 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(F)cc5)ccc43)cc2)cc1 38686275 VBDNLBPZYDSMGQ-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701114 IDYQISZSNLLODD-NDEPHWFRSA-N 522.557 5.655 50 10 KKGE Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)cc1 40950846 DJEGNYVFRIIWHN-MUFRIFMGSA-N 509.444 6.163 50 10 KKGE Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 100112068 AFSGRKCVMYNOAF-UVHMKAGCSA-N 546.259 5.937 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 100163454 UCXBWRFQWQTWTL-UHFFFAOYSA-N 566.496 6.253 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 100186786 LZNULHJJWIBGEJ-UHFFFAOYSA-N 621.779 5.539 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 100237317 PFDKRFZDNJTVNG-PEHSQKLVSA-N 556.015 5.589 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 100335537 BGVOJYYEIVINQJ-RQZCQDPDSA-N 587.224 6.253 50 10 KKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccc(Br)cc3)c2c1 101134939 HGQJBQBYUHRXRS-UHFFFAOYSA-N 541.449 6.238 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242514 MHPILYCZCCMBNE-YDYXIROLSA-N 542.444 5.728 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 101333043 XMOFGJUCERRAJQ-ZXVVBBHZSA-N 524.690 6.824 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 101339874 BLIKEZAEHVJOOL-CVKSISIWSA-N 575.581 5.257 50 10 KKGE O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 101380500 NTGFKZAHPCMHRK-BVMLUPFRSA-N 581.451 6.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384691 DKJMDAIYOUDZSJ-JLBZDQGGSA-N 569.444 7.409 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101397369 LFSQQLBZHSGLQL-NDEPHWFRSA-N 587.470 7.510 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602170 CUGGBGLQUINRMK-WPWMEQJKSA-N 592.777 5.477 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603325 DKQWRNHETBIKMS-FDAWAROLSA-N 524.326 6.636 50 10 KKGE COc1cc(Br)c(CCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 101869458 QJZGFTJVGRHINF-UDWIEESQSA-N 556.840 6.731 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1 102665377 KBTROTRTLKQUIA-KQWNVCNZSA-N 543.044 7.370 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(Cl)cc1 103877788 MRPDQQPIPRAESF-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2ccccc2o1 103877814 ZYNJYWNPJBSALR-KKMKTNMSSA-N 565.194 6.687 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103880975 DVUDTEFJFNGJHY-KKMKTNMSSA-N 607.096 7.063 50 10 KKGE N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 103953742 CFVXXVJOOWBKJB-FMIVXFBMSA-N 519.207 6.962 50 10 KKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150411376 WAONGLGTIFMVPI-JWPDNNILSA-N 632.742 5.491 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432813 XWEKETUEAVCWIZ-FHXVRGHPSA-N 647.942 8.461 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150462441 HGAGZCDLIGUWFM-NRFANRHFSA-N 642.750 8.335 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463256 MLDXFQCOHPZAFI-LJAQVGFWSA-N 672.348 8.334 50 10 KKGE CC(C)(C)[C@@H](O[Si](C)(C)C)[C@@](Cc1ccccc1)(n1nnc2ccccc21)n1c2ccccc2c2ccccc21 195808151 GDTAMHMNSCTYMM-ZFEZZJPFSA-N 546.791 8.249 50 10 KKGE C[C@H]([C@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)P(C1CCCCC1)C1CCCCC1 201336368 BLYORWLXGDDPCI-TUJMVGRMSA-N 750.629 12.899 50 10 KKGE CCCOc1ccccc1/C=C(/C#N)C(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)OC 207232271 MVBRMZKRLWWJNG-KQWNVCNZSA-N 500.620 6.415 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214405349 RWAJQPBXLCGWPD-ONUIUJJFSA-N 540.591 5.647 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)[C@@H](Br)C2=O 256018983 DTJWUEDMAIQIIJ-BEVDRBHNSA-N 560.080 5.824 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)ccc2Cl)[C@@H](CI)C1 394641282 TYXGZVMKTFUGBN-YOEHRIQHSA-N 534.619 5.890 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@@H](O)[C@]3(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 575417340 OPYUSJFJMUNXDI-YMTKTRBESA-N 978.338 7.930 50 10 KKGE CCO/C(O)=C(/C#N)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145739 ZGOAHPRMVIRWKL-KCJWVSHWSA-O 527.826 5.683 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(F)c2I)c(F)c1F 721721082 YAVLDOWINWAZET-SNVBAGLBSA-N 523.887 6.094 50 10 KKGE COc1ccc2c(c1)[C@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CCC2 725238235 QWTPWAINXKFHQI-ZJSXRUAMSA-N 537.003 6.282 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cccc(Cl)c4Cl)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725391966 YQKKIBXKEGNBOU-NUHOQHIVSA-N 703.648 7.342 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 1083918937 RSRFYQMWXPACMZ-DEOSSOPVSA-N 614.751 7.351 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 1083975387 NPZCHANTLLIIOS-UHFFFAOYSA-N 551.199 5.341 50 10 KKGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(-c2ccccc2)cc1 1084091186 UMSYMTDYZDTQCP-UHFFFAOYSA-N 516.233 6.106 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 1084196934 WHTIXEXXCRDPPT-MFOYZWKCSA-N 587.326 7.693 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Br)cc1 1084267772 FJOPUNYDIITRIW-CXUHLZMHSA-N 611.117 7.652 50 10 KKGE COC(=O)c1c(NC(=O)CCCCCCCC(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)sc(/C(C)=C/C#N)c1C 1084295450 BNLBSYCSNDPMNQ-JSAVKQRWSA-N 624.785 7.161 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Br)cc1 1084302026 WVJBKQSIIWCVAC-UHFFFAOYSA-N 592.671 6.963 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084379996 ZFYQYPCURANPHU-UHFFFAOYSA-N 625.260 7.296 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084408804 JWYGDNRTINTDGX-UHFFFAOYSA-N 572.799 6.499 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 1084502614 QBNWZQPAKKLBJR-UHFFFAOYSA-N 557.672 5.318 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc(O)c4ccccc4n3)c2)C1 1554200829 QKVYPLRCRLEWED-LHZDPGHSSA-N 590.709 5.919 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653283 MXLHXIRGDYJAJN-VXFDCLNWSA-N 551.590 6.018 50 10 KKGE COc1cccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)c1I 1615949211 GIYSXAWPBXCRIV-UHFFFAOYSA-N 521.182 5.192 50 10 KKGE CCCCCCCOc1ccc(C=NNC(=O)c2cc(C(=O)NN=Cc3ccc(OCCCCOCC)c(OC)c3)c(C)nc2C)cc1OC 1772721623 IUBGUCRLWJXFNI-UHFFFAOYSA-N 689.854 6.788 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746693 GAJHMWZSFCHUJG-UHFFFAOYSA-N 531.534 6.997 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748470 QONFNZAKUXJSQI-UHFFFAOYSA-N 534.878 5.891 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccccc1 1772754197 FDZVPVSROBBMGQ-UHFFFAOYSA-N 545.433 6.233 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697457 SXNVXWNSVFIAJW-QFIPXVFZSA-N 541.421 5.411 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700878 GUBBRYXUYCLGLF-AREMUKBSSA-N 565.888 7.251 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1 1865702948 JGVHXWBDXNKOCR-DEOSSOPVSA-N 534.513 6.195 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865703683 ZCGBPVIJCIRJKE-VWLOTQADSA-N 531.443 6.912 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704976 JIAONYKRKOKDTC-MUUNZHRXSA-N 538.623 6.137 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OC 1865709309 UEDMRNBFPJDJSZ-WJOKGBTCSA-N 579.701 5.842 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709801 HCSMPUBBPARACW-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)[C@H]2CC(C)C 1868207239 KTBLPRGQFIBPJQ-LJAQVGFWSA-N 519.718 7.843 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 1872744784 IBFXLXGSKXVWAB-YEUWRSSNSA-N 512.462 7.305 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4C)cs3)CC2=O)cc1OC 1872750044 UMUTWKYZLCKCPX-IHSREPSTSA-N 503.624 5.328 50 10 KKGE Cc1nn(C)c(C)c1/C=N/NC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 1873497584 XJYGAENQXPWJPZ-XITMHSBQSA-N 503.647 5.454 50 10 KKGE O=C(c1cc(C(F)(F)F)ccc1Br)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311631 GXBIRTHVOIWBIE-GOSISDBHSA-N 505.172 6.284 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)sc2Br)c1Br 1922946008 MOBSYGMBWMMBRU-ZETCQYMHSA-N 588.804 7.652 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923065842 HXOZHGDPYDTISB-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Cc1nsc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923066462 PWEKWPRONSKHQF-YFKPBYRVSA-N 500.890 6.782 50 10 KKGE Brc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924569779 ADYCITRJKLYURK-MRVPVSSYSA-N 647.644 8.045 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC2CCCCCC2)c1Br 1924591552 SDUQOQSHFCJRCD-VIFPVBQESA-N 523.954 7.832 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1csc(Br)c1Br 1925546733 QPOARGJGFWXWID-RXMQYKEDSA-N 520.320 7.732 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]2C2CCC2)c1Br 2022288308 CNZKAWSULQMYFN-ACLDMZEESA-N 507.911 6.908 50 10 KKGE CN1C(=CP(=Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 2053614365 NOHJXMQBBNTFIE-UHFFFAOYSA-N 527.446 8.202 50 10 KKGE COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2054325765 NMIFFCWRXGCURO-NISUGAKESA-N 518.855 7.804 50 10 KKGE CCOc1ccc(C(F)(F)F)cc1-n1nc(CBr)c(I)c1C(F)(F)F 2079256868 HQWGJEOAAHYCHU-UHFFFAOYSA-N 543.043 5.808 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(I)c2)c1Br 2083318039 MBQKQRWHQXSOTQ-CQSZACIVSA-N 500.399 6.453 50 10 KKGE BrCC(CBr)(Cc1c(Br)cccc1Br)C1CCCC1 2094100755 VKLZUOKCMOEKJT-UHFFFAOYSA-N 517.925 6.721 50 10 KKGE CC1(C)C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468618 LTXXAKUJMPMEKE-PWCHPLFNSA-N 540.315 6.832 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2141471571 SWWLKWIIOAFQOL-CWPPXLLWSA-N 580.778 7.609 50 10 KKGE CCc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)o1 2141476494 BJSWGKYJZJBHFX-ZDUSSCGKSA-N 536.283 7.220 50 10 KKGE CCc1occ(C)c1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400195 QBRBWUUGBBPROS-AWEZNQCLSA-N 594.761 7.685 50 10 KKGE Cl[C@@H](C[C@@H]1C[C@H]2CC[C@H]1C2)c1c(Br)c(Br)cc(Br)c1Br 2206404566 AYFHHSITIMXANA-PEFMBERDSA-N 550.354 7.843 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206405311 IUTLKHRCDPNKPK-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Brc1cc(Br)c(OCCCCCI)c(Br)c1 2211184963 GSUSHWUMEMVDPD-UHFFFAOYSA-N 526.832 5.958 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cccc(Br)c2)c(Cl)c1Cl 2224303587 AMTJVFYMXGMSIE-LLVKDONJSA-N 508.262 7.656 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(I)ccc1Br 2229141615 FRXBLUYZQRFKNQ-CQSZACIVSA-N 534.844 6.992 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232511712 LDRJSMVKNDVNCY-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE Fc1cc(Br)cc(OCCOCCOCCOCc2ccccc2)c1CBr 2236086632 YTKNEXAYXYDPJR-UHFFFAOYSA-N 506.206 5.112 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Br)sc1Br 2264368901 PLHAWQIJTRAJII-NSHDSACASA-N 509.872 7.073 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1csc(I)c1 2269626674 ZRRWYWCRMSIVDD-CQSZACIVSA-N 516.036 6.225 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c(C)c1F 2279156910 PAENAEDODCWXRV-AWEZNQCLSA-N 576.867 7.056 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cc(Cl)ccc2C(F)(F)F)C(=O)N1c1ccccc1 2293198482 ZAVCPEPULSNMKX-NRFANRHFSA-N 531.943 5.694 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 2296720842 AXMDJXKJZFVWEN-UHFFFAOYSA-N 508.578 5.647 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 2296722551 HJVILVAPYHMELX-UHFFFAOYSA-N 512.374 5.440 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1 2297321149 KAOVTXNGUJNKQS-UHFFFAOYSA-N 531.100 6.405 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1C#N 2313571234 QJYAEYOEPPGBQZ-UHFFFAOYSA-N 526.807 7.042 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 2314414774 LWEQNDABCIJAHS-UHFFFAOYSA-N 552.055 7.110 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)cc1 2314476126 JFBOEZGFPHMHNX-DQEYMECFSA-N 600.766 5.853 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592547 XFNOOGYEVGAKFC-RUZDIDTESA-N 535.591 6.894 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1 2329617828 NDFSYSXFFDHRHB-UHFFFAOYSA-N 500.356 5.690 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 2331051590 OPQTUEIPMUGAIG-UHFFFAOYSA-N 562.203 7.078 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C(C)C)cc5)cs4)cc3C2=O)c1C 2331340849 VETQQSGQADTKTO-UHFFFAOYSA-N 519.626 7.301 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCCc1ccccc1 2331421869 YJPIXDROVKEOGF-UHFFFAOYSA-N 507.442 7.811 50 10 KKGE Fc1ccc(Cl)c(F)c1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336074353 FJIGPIRKCPTWEX-IBGZPJMESA-N 502.580 7.444 50 10 KKGE N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 3669625 QBNTXCIQKANEDQ-OAQYLSRUSA-N 510.446 6.413 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14643169 QECOCGJBJGVPTG-AWEZNQCLSA-N 518.235 5.147 50 10 KKGE CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669632 IFAKHJCYQRWPMV-LJQANCHMSA-N 525.443 5.424 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)C1=O 38607662 AXPXBKGSGXVBQJ-HZHRSRAPSA-N 512.997 5.760 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 38650901 NAQQQOVFJDXFPM-GDLZYMKVSA-N 504.542 5.712 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 38660169 FONUXANODNJPQH-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)c1 38685169 NIVRYTXFRCCBPY-CLYVBNDRSA-N 502.542 5.596 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 40811545 HCGORUTUWZRAKH-MHTZHOPKSA-N 503.558 6.125 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 100227059 BCJHGQWCJGRQRV-WRIMGEDOSA-N 572.443 5.541 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(C)cc1 100236053 VYOHRLWEOLLDBC-OSGOCAMQSA-N 565.508 6.428 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(I)c(OCc3ccccc3F)c(OC)c2)cc1 100237683 ATHXETSFIIIKKE-ZYMKGWJUSA-N 606.432 5.381 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCCn1ccnc1 100883821 IPTGNIVQDOKJKG-LGUFXXKBSA-N 563.061 6.082 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241273 FPPAUWPZTHSWCL-IDJUBOEBSA-N 586.035 6.500 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101339535 ZPMWPTBFDDCUFU-UPSBPNDASA-N 554.650 6.272 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)ccc1Cl 101369391 LEOOZLBHSXFMSP-PMERELPUSA-N 538.987 6.643 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1 101378067 MZJPPRLPMVFENC-HKBQPEDESA-N 561.078 7.200 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387651 RLOPAHHEELKHSD-WJOKGBTCSA-N 567.041 7.064 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101397303 OUNGXUGHAXAFGZ-AREMUKBSSA-N 553.442 7.008 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397507 POSZDESXAUAKCJ-PMERELPUSA-N 553.014 6.673 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(F)cc4)c3)oc2c1 101398805 UJXPKRJTHFFAFG-HKBQPEDESA-N 560.581 7.205 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 101399487 RSZAOUPCRSKBAD-GDLZYMKVSA-N 613.066 7.719 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 101727014 RLHWUTQLERSCTP-XODNFHPESA-N 572.937 7.047 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 102940851 FVABYXDNFGEKKN-DFRYGGHUSA-N 524.499 5.466 50 10 KKGE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccc4c(c3)Nc3ccccc3S4)c2)cc1 102982936 ZRVHRESBXHTLAX-YKQZZPSBSA-N 544.658 5.858 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 103742421 SCSASIUWLRRGOO-GPSDDGMOSA-N 552.881 5.845 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1 103797531 YZUWTCSBILOZGQ-IPBVOBEMSA-N 597.090 7.608 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 109870053 STOBPWAMCAAZFC-JTQLQIEISA-N 507.842 6.659 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 150430467 VNABBBSSGUMEAF-WGNDPNKDSA-N 633.439 5.150 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 156132214 JQYOMULNIXJVTC-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c2ccc(C)cc2)cc1Br 164605535 COOGMSHGGLTRQQ-FDAWAROLSA-N 637.512 5.834 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(I)cc1 164620396 VJWDALMLQVWKSH-KVSWJAHQSA-N 684.122 6.914 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CI 169900354 HISNRFHCHAMNRT-NMBKVJHMSA-N 554.673 9.257 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 254385321 BXNZBMSVTBFATK-UHFFFAOYSA-N 505.634 6.265 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254625656 WBEREZAURONLJW-CVORIBJVSA-N 560.123 6.714 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 254751097 JCFVOUUHDMPHER-UHFFFAOYSA-N 526.589 5.776 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 254872141 IRAVIYWTHZJIHB-UHFFFAOYSA-N 544.520 5.719 50 10 KKGE CC1(C)O[C@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@]2(Cl)C[C@@H]1Cl 257601564 WIMMWIAJQXLZLL-HRTIEJRPSA-N 533.876 5.184 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Br)ccc2Br)c1I 383338592 RKTQZLXZINTGES-SNVBAGLBSA-N 534.815 5.034 50 10 KKGE COC(=O)c1cc2cc(OC)c(OC)cc2c2cc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc12 390822532 BZUBVSXBTGYZFR-UHFFFAOYSA-N 550.727 6.736 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616692714 NMYQPXSCFRKTBF-VWLOTQADSA-N 511.783 6.749 50 10 KKGE Cc1cc(C)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 721591246 ZTGJTHJOSQFUHA-INIZCTEOSA-N 528.453 7.070 50 10 KKGE COc1ccc2c(c1)[C@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)CCC2 725238230 QWTPWAINXKFHQI-QPPBQGQZSA-N 537.003 6.282 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(I)c1 725395287 MUBFCDPBKFAZKT-UHFFFAOYSA-N 525.173 5.941 50 10 KKGE CCCCCCCCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCCCCCC 888085191 JUCLRERMUXICBO-SANMLTNESA-N 503.208 8.283 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN(C(=O)OCc1ccccc1)c1ccc(N2C[C@H](CN)OC2=O)cc1F 888086302 BCJDOHOENHLYBR-NRFANRHFSA-N 517.674 5.275 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 1084004837 WPHQZNOFHNHKBZ-UHFFFAOYSA-N 554.672 5.291 50 10 KKGE Cc1cc2ncn(CC(=O)NN=C3C(=O)N(Cc4c(Cl)cccc4Cl)c4ccccc43)c2cc1C 1084018267 PQLVCIQFBYMVSS-UHFFFAOYSA-N 506.393 5.027 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c1 1084034965 VPBHQASVHQDGKV-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)c(Br)c1 1084210742 YJQGKFHZYQIJOO-JOCHJYFZSA-N 501.808 5.645 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084323722 NIWVYOXIRHRZMO-UHFFFAOYSA-N 566.279 6.435 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2I)cc1 1084387195 YPLKZFICUSRILK-WSDLNYQXSA-N 687.319 6.530 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 1084496627 WZHUOANBIPXIDR-UHFFFAOYSA-N 514.412 7.783 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 1084524524 GJHDVBMYBXNRIY-NDEPHWFRSA-N 561.476 6.544 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(C(C)(C)C)c1O 1084525083 KEOYJDLAYJPHEG-UHFFFAOYSA-N 594.412 7.176 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653299 WHPCDUNSENHWIR-QFNYJIRUSA-N 518.038 5.652 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Cl)cc3Cl)CCC4)c2n1 1772746137 RJHLZVCNVDMREB-UHFFFAOYSA-N 522.388 6.441 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747331 NDTUVWSHXNKTTI-UHFFFAOYSA-N 512.009 6.940 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772747372 GZNNIOPVQZYHRR-UHFFFAOYSA-N 505.496 6.483 50 10 KKGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1C 1772752264 IEQZDGCPIDFLAS-UHFFFAOYSA-N 526.818 5.165 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCc1ccc(C)cc1 1865688508 UDUJHTKNCGHOAX-GDLZYMKVSA-N 538.623 6.137 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690681 YSGKMRMGDZCSCC-SANMLTNESA-N 541.449 6.384 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865691242 NQJSJSQAGGYETA-JOCHJYFZSA-N 539.430 5.221 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OCC 1865691382 QPJBFHKUHNLKRM-JOCHJYFZSA-N 512.532 5.664 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865696388 FJYWHXSYDGYKMU-JOCHJYFZSA-N 512.532 5.664 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696460 NJJPFVNBSWOVHI-FQEVSTJZSA-N 534.241 5.877 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865699900 GAWQRMUNRMTVPS-DEOSSOPVSA-N 538.405 6.010 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703475 WMVPGKBBNDTPSR-VWLOTQADSA-N 517.416 6.539 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1cccc(OCc2ccccc2)c1 1865711911 LEOHVHAJQNAWPQ-YTTGMZPUSA-N 546.630 7.490 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865712216 SJPYLHSFMXZRIL-MUUNZHRXSA-N 530.584 5.936 50 10 KKGE CC(C)Cc1nc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866864198 LSKCJLSEIKROSX-QHCPKHFHSA-N 515.614 5.225 50 10 KKGE CSCC[C@@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866934302 WWDVCUGZIRBYIL-RUZDIDTESA-N 567.111 6.620 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2C(C)C)n1 1868388361 JMLVXCWHLKPQNI-NDEPHWFRSA-N 503.672 6.523 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3Cc3ccc(Cl)cc3)n2)cc1 1868544222 AUKTYDDIIQZCSN-HHHXNRCGSA-N 554.163 8.623 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)n2)c1 1872755076 XILNAVSOUZFYKR-WGJYXZIMSA-N 517.607 5.952 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872791015 QVZIFUMWZOSGLN-HYARGMPZSA-N 521.469 8.549 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915754325 VIFVJPWOJCOYMM-UHFFFAOYSA-N 504.060 6.028 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)[C@H]1C 1924591531 SBIMOEMDCKHQCF-AJDRIWCOSA-N 525.926 6.531 50 10 KKGE Cl[C@H](c1nscc1Br)c1c(Br)sc(Br)c1Br 1924605473 RVUPWUDKBIWCCS-YFKPBYRVSA-N 531.314 6.583 50 10 KKGE CC1(C)CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1949735481 ZJJDLIJJBFXKJK-SSDOTTSWSA-N 509.927 7.298 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1cc(Cl)ccc1I 1950208447 RGBWUPJWSAAKBP-LLVKDONJSA-N 506.428 6.561 50 10 KKGE C[C@@H]1CCc2c(sc3nc(C(C#N)=Cc4ccc(Oc5ccc(F)cc5)c([N+](=O)[O-])c4)nc(O)c23)C1 2053574579 JMYRAUDIELEYPQ-CQSZACIVSA-N 502.527 6.425 50 10 KKGE C[C@@H]1C[C@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2085494627 MZDJDHOBYQNASX-FCNWNZSISA-N 566.751 7.219 50 10 KKGE CC(F)(F)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471459 RSYPYADODATWFI-NWWTUURKSA-N 546.269 7.308 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)c(C)c2Br)ccc1I 2142102908 CKARBLCRGZDHJJ-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE O=C(NC[C@@H]1CCCC[C@H](Br)C1)c1ccc(I)c(Br)c1 2163750138 DFEPDKCJFCSYGK-PWSUYJOCSA-N 515.027 5.127 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@H]1OCC2 2206394577 IBTVHWIQBHAODJ-OWYVNGRQSA-N 552.326 6.976 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206399488 IIJQKFCTRFZHTQ-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE C[C@H](Br)c1ccccc1NC(=O)c1ccc(Br)cc1I 2207270246 BRHAGNHXASRELG-VIFPVBQESA-N 508.979 5.762 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Cl)c1ccc(I)c(Br)c1 2229141921 ANFPUVGRTMPEGA-LBPRGKRZSA-N 534.844 6.992 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)co2)c1Br 2258117010 JITNSDZIWDUKFO-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)cc1I 2269551864 KWCLDBDWJBQKON-CQSZACIVSA-N 518.947 5.886 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)ccc1Br 2277896292 JUMGWNCWFRDLRV-AWEZNQCLSA-N 532.295 7.259 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2c(F)cccc2I)c(C)c1Br 2282894181 NRFPGOOYYFSSFY-MRXNPFEDSA-N 511.998 6.602 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 2293245205 JTHDREWEPONUQO-UHFFFAOYSA-N 631.958 6.669 50 10 KKGE Cc1ccc(S(=O)(=O)n2cc(C=C(C#N)C(=O)Nc3ccc(Br)cc3)c3ccccc32)cc1 2293763538 FBYSVEHAGVXGKD-UHFFFAOYSA-N 520.408 5.495 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(COc3ccc(Br)cc3)c(OCC)c2)c1 2294953999 ZIDNUMXXKWNGMR-UHFFFAOYSA-N 521.411 6.371 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 2295945945 ZGPOEMKTQHFCLB-UHFFFAOYSA-N 566.466 7.350 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCc1ccc(Cl)cc1 2313521290 DABQAVDRFYVPOT-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 2313567599 IQTRUJPSADURDD-UHFFFAOYSA-N 670.288 7.482 50 10 KKGE O=C(CCN1C(=O)C(=Cc2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 2314488140 JIEYIZNWYDQSBC-UHFFFAOYSA-N 537.132 5.261 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314503258 QNDUDIZWSXDUQF-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 2314610691 LDGHFHGHDAUVRH-HXUWFJFHSA-N 543.067 6.762 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646681 JDNYGDJOURATHQ-MUUNZHRXSA-N 662.768 5.562 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 2314760013 CMSDOEAPFYZYQH-QFIPXVFZSA-N 536.584 5.942 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccccc1Sc1ccccc1 2325336030 MVFUAFIHMOZIAP-UHFFFAOYSA-N 530.697 6.591 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OC)c(OCc4ccc(Cl)c(Cl)c4)c3)nc(O)c2cc1OC 2331044531 YQRVGPAZELNFLX-UHFFFAOYSA-N 538.387 6.311 50 10 KKGE COC(=O)c1ccc(C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)o1 2331048547 ZHLQIXRGJPLWFM-UHFFFAOYSA-N 507.167 6.779 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)ccc1F 2331322601 QYPNNIDRZFCBJY-RUZDIDTESA-N 509.562 5.958 50 10 KKGE CSc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1 2362229835 LXKGQZXLBKKBLF-LBPRGKRZSA-N 503.456 7.210 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)n1 2365225701 MIYGPTOYRHNAIY-LLVKDONJSA-N 533.859 6.122 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14669634 IFAKHJCYQRWPMV-IBGZPJMESA-N 525.443 5.424 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCCOc1cccc(C)c1 33737733 QXUMAXSJZKRLSD-QJOMJCCJSA-N 505.578 5.555 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651572 HESAGUZYHAVJLO-DEOSSOPVSA-N 503.396 6.184 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 38681199 MPXFERFUCDRMMW-MHZLTWQESA-N 502.954 5.280 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 40912389 SPFFUWLMUMQLSR-MUFRIFMGSA-N 525.443 5.863 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 58894751 HSOUXJVNGWFYMW-WZRHPCBOSA-N 505.796 5.725 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 97968656 LXTHIEOZYOVCKH-IQQNDYETSA-N 606.851 7.836 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)Cc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100225428 FVQBFBZZMLXRTP-ZCTHSVRISA-N 583.557 5.639 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 100235347 XSWMSBWAOTZYBF-KNFLVYKJSA-N 610.332 6.706 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 100235492 HXVUDAAZKUSKKT-ZZJXEYPFSA-N 563.851 6.183 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101295611 SKLMXLRCXOBDMG-HXUWFJFHSA-N 544.432 5.149 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101338565 NOLBQLVAPMNVGJ-OGLMXYFKSA-N 534.660 6.417 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 101340149 DLZULTNNWOSPPM-MTDXEUNCSA-N 559.582 5.291 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101373839 WLABVWYHMKFLOI-MHZLTWQESA-N 563.448 6.464 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385454 LYIFMJCBWSVXPI-OHWKKVTOSA-N 590.676 6.736 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388566 BIYUFRYNEBSBRZ-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389811 UFFWJINJSQWGLF-AHGFEAJCSA-N 627.524 8.117 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1 101392952 LBIPXCBJFYILTL-HKBQPEDESA-N 576.580 6.905 50 10 KKGE Cc1ccc(CN(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 101512311 XMQFTZNPDVCNAS-LFVJCYFKSA-N 604.526 6.596 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 101630762 YWHGDEMDOAKNSE-CEEKYTBPSA-N 612.436 5.318 50 10 KKGE COc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 101762972 YMFXYANJSOTHIP-LVTOSSQHSA-N 524.798 6.803 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)sc(C)c1C 102924780 BQVPYBMGOHFURJ-XNTDXEJSSA-N 522.564 5.656 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 102935083 BAKFEJDEGZDPNI-STZFKDTASA-N 528.362 6.635 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806340 MYDHYCOCBWXJQT-KUDNBTNGSA-N 601.666 5.505 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(F)cc1 103877556 WYEGOKBZYCYVJE-KVSWJAHQSA-N 576.216 6.448 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4cccs4)s3)o2)cc1 109557041 JWIKTWQVTHDNQO-QJOMJCCJSA-N 565.676 7.933 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 150382947 HORMKRAHDMNWIL-ZZXJHYAVSA-N 690.319 6.592 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 150408366 BDBKUDXPOMLGAT-UHFFFAOYSA-N 643.442 6.183 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 150428882 ISVLDHZOIBPVIJ-HKBQPEDESA-N 631.512 7.726 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 150462849 BOCNRCZXVMVKAL-HKBQPEDESA-N 649.502 7.946 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCC(=O)N(CC)CC 150498648 URLMRSULCSAPSX-VFLNYLIXSA-N 640.025 6.114 50 10 KKGE CCC1(CC)[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 155253966 MVCJVPIELFEPML-VXGBXAGGSA-N 616.446 6.065 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1 169643803 VWKBVNQSGONNNB-UHFFFAOYSA-N 554.566 6.877 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc3c(c2)CCCC3)c1 232451509 AGDAKWAFMCUYKR-QGZVFWFLSA-N 506.019 6.417 50 10 KKGE CCCCCCOc1ccc(OCCOc2c(Br)cc(C=NNC(=O)c3ccncc3)cc2OCC)cc1 252607819 HEPMUELUKCJOAO-UHFFFAOYSA-N 584.511 6.424 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 254303065 DEKUVERXWRDRCO-MININPTESA-N 593.572 6.265 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 254438488 WHGXPEZDACKEAL-UHFFFAOYSA-N 554.599 5.421 50 10 KKGE O=C(NN=Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(N=Cc2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 254440180 CYIHDEKXICNWCO-UHFFFAOYSA-N 729.705 5.553 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(C=NNC(=O)/C(=C\c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)cc2)cc1 254738962 PMXCKCPWIVRSAE-WTZOXDLDSA-N 588.664 5.301 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c(O)ccc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1 254761517 DMCVHUPSUVXCFL-UHFFFAOYSA-N 554.697 5.736 50 10 KKGE COc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 254799244 DHMSOORZYPYZRN-NRFANRHFSA-N 536.661 5.672 50 10 KKGE ClCc1cccc(Oc2c(I)cc(Cl)cc2I)c1 310611212 AUXJXUMCTPHCQP-UHFFFAOYSA-N 504.920 6.080 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(Br)c(F)c2)C1 382700386 NXENQPSEEFPWAJ-HOTGVXAUSA-N 518.164 5.375 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 504096871 YYCIOXJPTWKWAF-SJHPYCCQSA-N 532.838 7.615 50 10 KKGE in-vitro CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232577 NMNGXZIYPJHWNQ-IYRFXDSASA-N 793.786 6.704 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)(C)O 606508494 CTZMHDJIUFEYKE-JYGSQHSMSA-N 514.911 9.763 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@@H]1c1ccc(CO[Si](C)(C)C(C)(C)C)cc1 616679737 ZXVZBFVYMHQXJM-NDEPHWFRSA-N 511.899 8.178 50 10 KKGE Cc1c(C=NNC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 725388119 NOMXKQVOHPSEIH-SANMLTNESA-N 504.428 5.724 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c(C)c1 725394763 ADLANTVQGIHTGW-JGCGQSQUSA-N 536.701 6.249 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(COC(=O)CCC(=O)O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105634 FQZHHFRSBKYWJV-RYXOGTNLSA-N 579.778 6.875 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1Cl 1083965807 JIVGKEAMQZMZHE-SXGWCWSVSA-N 566.666 7.543 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1083976560 SUQZQCKMXVBGHS-KGENOOAVSA-N 660.204 6.809 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1 1083998174 QOUPHQGFSOXHLG-UHFFFAOYSA-N 504.377 5.087 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1084011818 GZBAHPKNUZVRBI-MUUNZHRXSA-N 547.051 6.443 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)c(C)c1 1084141173 SFILTONQKXJMPS-UHFFFAOYSA-N 533.720 5.793 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccccc3)cc2)c2ccc(C)cc2)cc1Br 1084171961 FGCLLRRBMQXXND-UHFFFAOYSA-N 592.515 5.926 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C 1084301958 UTVMDHSULIOGTB-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084316338 BTBAPKHNVBYTGL-UHFFFAOYSA-N 521.828 6.787 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747471 CFDJVENPGSOLIS-UHFFFAOYSA-N 542.035 6.491 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747963 UBFWIARNSBIMIG-UHFFFAOYSA-N 541.007 5.454 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCc1ccccc1 1772755132 OXJWDPWJFOCMKX-UHFFFAOYSA-N 631.017 7.489 50 10 KKGE CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)Cl)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C 1848436652 WTVRLWPYGMVEPX-OMYDMPTMSA-N 948.843 5.224 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865694083 PFSJTLXYFCSJFZ-HHHXNRCGSA-N 547.442 6.683 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865694330 TXISWWMTFQLALW-MUUNZHRXSA-N 561.469 6.743 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)c1O 1865696505 OIUQRANDWLZFGE-QFIPXVFZSA-N 563.839 5.947 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698543 WUSOHWXFQKXMCP-OAQYLSRUSA-N 543.849 5.865 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700940 IBDBSAHSIHDSAL-AREMUKBSSA-N 569.851 7.136 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865701971 JNBCOKUJHUKVKS-SANMLTNESA-N 526.040 6.266 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702681 ZBCRVVFHQXKLMH-QHCPKHFHSA-N 547.384 5.676 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865703955 JKVDTFNFZMUUCX-MHZLTWQESA-N 541.051 6.665 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704237 QZKXZHSSDUANMW-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(Cl)c1O 1865706957 JVYBTVIAGXWQPU-MRXNPFEDSA-N 511.287 5.189 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(OCc2ccccc2)c1 1865711977 MWEWHVXYHNOMCY-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712113 PTMWTYKITQZVLK-VWLOTQADSA-N 513.395 5.740 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866696218 UVYCEIIVSRNZGI-XZWHSSHBSA-N 564.667 5.273 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3ccccc3Cl)cs2)cc(Br)c1OC 1872746813 ZIXLIUVAWKFZGZ-RIRNTOMFSA-N 503.805 6.749 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)cc3[N+](=O)[O-])n2)c(OC)cc1Cl 1872756457 KPPALRWNNOMVMY-BKUYFWCQSA-N 503.920 5.356 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)CC1=O 1872756863 DYMCEWCLAQTATH-IIPXAIGGSA-N 508.043 6.497 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872794116 KZTOCMAAYKOAKT-UDWIEESQSA-N 507.442 8.077 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3c(C)cccc3C)n2)cc1OCCC 1872817898 CGBSCFYJIDNMDD-BZZOAKBMSA-N 506.668 7.656 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1sc(Cl)cc1I 1900923624 DBYFRZVRFGZCRQ-VIFPVBQESA-N 512.457 6.623 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922941496 OMAPJHMCAPXTRF-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1I 1923067005 XNJFEASOWGQZFH-QMMMGPOBSA-N 605.742 7.669 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)n1 1924608322 GQSDIVHITLRMSK-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@H]23)c1Br 2040326919 ULRMTMRDSXQOPQ-MNCSTQPFSA-N 525.882 5.133 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)C(C#N)=C3NN=C4CCCCCN43)n2-c2ccccc2)cc1 2042447243 QJQWUTDCDZDPRV-UHFFFAOYSA-N 525.682 5.421 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1I 2053623025 AUUUGPIEIGWWLK-UHFFFAOYSA-N 732.097 6.625 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2csc(I)c2)c1Br 2081062698 VLUMEHNWVSYSTB-CYBMUJFWSA-N 520.455 6.823 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2csnc2Br)c1Br 2081063467 ZURZVPJXHMLFSZ-NSHDSACASA-N 518.894 6.532 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083329986 JPYCKKNYFWRIQQ-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE F[C@@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499647 JJTGECGLBXSRTO-YUMQZZPRSA-N 586.635 7.073 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 2154360363 CIGJDLYDALXJNW-ICSRJNTNSA-N 512.717 6.488 50 10 KKGE CC1(C)C[C@](C)(CBr)CN1C(=O)c1cc(I)ccc1Br 2199542274 WFVYVIOLZTWVEO-OAHLLOKOSA-N 515.027 5.079 50 10 KKGE CCOc1ccc(C)cc1[C@H](Br)c1ccc(Br)cc1I 2207272222 MLPQEQNNVLIFGD-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2)c(C)c1Br 2227351096 JTIYOJHQSWVKNE-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@H](Br)c1csc(I)c1 2233158821 DYPUDLQASWJMBT-CQSZACIVSA-N 530.063 6.732 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)s1 2248213279 LIVXNGWEVBIXNR-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(C)c1Br 2288488604 KFKTVGWAZVDPSO-LLVKDONJSA-N 553.886 7.415 50 10 KKGE C=C1C(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2294931017 MDDUHVRJJAFRAU-MVSFAKPFSA-N 582.914 9.058 50 10 KKGE CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 2296646558 RHFMMBDJMWHAIR-UHFFFAOYSA-N 601.295 5.627 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccco2)cc1 2297100670 XVQGACDUNNVYQE-UHFFFAOYSA-N 680.353 6.011 50 10 KKGE O=C(NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=Cc1cccs1)NC(=O)c1ccccc1 2297322626 JIBCVJXEPOJKJG-UHFFFAOYSA-N 510.402 6.236 50 10 KKGE Cc1scc([C@H](Br)c2ccc(Br)cc2Br)c1Br 2303646839 UYFNBALFKKNAFG-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Br)cc1 2313518244 ZAGCWNHBDWEYOB-UHFFFAOYSA-N 603.254 6.495 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl 2313521379 JZHONNPMXWRFCB-UHFFFAOYSA-N 529.805 7.295 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccc(F)cc1 2313540649 NAGJMMPDSIDCHQ-UHFFFAOYSA-N 530.191 6.475 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Br)c1O 2313571449 WQQKIJOYNQZFBQ-UHFFFAOYSA-N 520.992 5.778 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314442467 BUZOXMZAILWSDL-SFHVURJKSA-N 529.070 6.317 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N1CCCCC1 2314476458 OYUNQLYLPSBVFH-UHFFFAOYSA-N 506.581 6.177 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591648 ALQWYSMMLGRKSM-MUUNZHRXSA-N 509.675 6.746 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314611660 YTFLQKVWGCRNFN-UHFFFAOYSA-N 563.057 6.774 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314620191 LYYCEAXFCQJCBY-UHFFFAOYSA-N 559.022 5.137 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314647022 ZSEMQBNSQJLBRE-WJOKGBTCSA-N 684.749 6.174 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC 2314777528 IXEMRZVDTZZBDC-UHFFFAOYSA-N 526.998 5.085 50 10 KKGE COc1cc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(Cl)c1 2321721578 OBWNVYRLKZJGDJ-FQEVSTJZSA-N 502.011 5.025 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)cc1C(C)C 2331356120 QKAFKWODXYIZEQ-UHFFFAOYSA-N 517.478 8.209 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2csc(Br)c2Br)c1 2341185690 GSEIPFCMXXVWLA-LLVKDONJSA-N 507.900 7.649 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)c1Br 2362232369 NKVVARLBONVVQT-NSHDSACASA-N 662.154 7.856 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccccc2I)c1Br 2365198327 ZPHBIHJAUGHKNG-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE COc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)sc1Cl 2365838445 ONWGUCFZZWSPJH-SNVBAGLBSA-N 507.444 6.867 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Cl)c(I)c2)c1 2366895112 HNVCJTCWZNARIV-CYBMUJFWSA-N 504.420 7.320 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1Cl 38649559 POSDMDGBJPLPPD-RUZDIDTESA-N 523.416 6.953 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38684579 BGHBQEPTKDNSLV-MHZLTWQESA-N 502.954 5.416 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5C)ccc43)c2)cc1 38686610 PTGLHNHARXSRTK-SSEXGKCCSA-N 502.570 6.320 50 10 KKGE Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1I 100083573 KJAAQEBCAMBZKO-UHFFFAOYSA-N 614.509 5.099 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCCC)cc1Br 100173444 CUZLNHVBUGUJJQ-UHFFFAOYSA-N 536.492 5.146 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 100231922 LCAICCOMUHGKEF-QGFINPQDSA-N 561.476 6.544 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232883 FAMYDZWTRHRXQW-JMIUGGIZSA-N 560.275 6.957 50 10 KKGE COc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100336095 UBWVOBKSRHKLKS-GIJQJNRQSA-N 536.196 7.250 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 100453042 QFJYAPUVBSCUGP-MGCJZSHXSA-N 583.253 6.141 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101245038 IQSDTCCOWHSXNV-LVVXZCGBSA-N 550.511 7.490 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 101336648 AXNBNFOOZXGKNK-MFKUBSTISA-N 536.563 5.853 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101338636 CESUYWPZYMJTKN-AJBULDERSA-N 554.650 6.653 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362313 PMJLVNHXLUHFDR-HKBQPEDESA-N 530.624 7.000 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362534 NUCOEZNQJXAYGP-YTTGMZPUSA-N 524.576 6.856 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 101368111 RQNGCVKGCOFYAB-WJOKGBTCSA-N 542.632 6.084 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383538 CPOZRFJTCZZRMQ-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2F)c1 101383882 OJPSEBXTDWSWIZ-HKBQPEDESA-N 571.004 6.569 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383951 YXZULMLBDNFJOV-PMERELPUSA-N 540.978 6.424 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389445 JVASRLKVOSQXNS-OZYUNTJISA-N 618.705 7.938 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)c(C)c2c1 101397578 BXSJWKDIUZRCHZ-YTTGMZPUSA-N 591.063 7.973 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCN(c6ccccc6)CC5)c(C)c43)coc2c1 101620108 NDOKSWFTEUMADB-INKHBPHZSA-N 538.648 5.313 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 101766330 UPXRUDTZKQPOIP-BHGWPJFGSA-N 528.241 5.143 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103884499 WHPOCGYDGDSTDJ-XIEYBQDHSA-N 587.474 5.921 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 105420812 XLDWVOZTHUUIAN-DFKUXCBWSA-N 556.128 6.425 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(I)cc1 150432163 IEPUREZNQKKTCT-GDKBXFSLSA-N 642.534 6.360 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442291 FULOAKMWYRQCRL-SSEXGKCCSA-N 643.548 8.623 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 150461538 IMUBCHWIWSEHNV-JGCGQSQUSA-N 641.507 8.381 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 203736012 JMCNKJFOIJGYRG-VBVUCVPISA-N 769.972 6.389 50 10 KKGE CC1(C)CC(/C=C/C(Cl)(Cl)Cl)=C[C@@H]2C(C#N)=C(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)S[C@H]21 206267738 GGOQGNUMZDKODN-JGUGVOGYSA-N 580.968 8.066 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 216973232 JKIXTRDEHZXVHL-ZXPTYKNPSA-N 512.657 5.707 50 10 KKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Cl)c1 236041692 GDEJXWGPOBDMPG-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 252631822 VMRMXLSQHMRHLT-UHFFFAOYSA-N 512.393 5.961 50 10 KKGE aggregator Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 254379067 LMSDNGPYGPDQBK-UHFFFAOYSA-N 574.612 6.207 50 10 KKGE COc1ccccc1/C=C\C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 254380834 LBOKLYVDFCOIKJ-LMIPJFBUSA-N 525.678 6.148 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 254622792 DVBUQGMKIVQYEX-UHFFFAOYSA-N 565.655 5.421 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccccc1F 254821828 KZCYFGAPAQOTAY-UHFFFAOYSA-N 510.598 5.414 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 256018208 OTRBTHLMSVUKNV-XKAZDTCBSA-N 521.577 6.735 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2cc(I)cc3c2OCC3)c1 312347002 MCUNAINBLVNDKW-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nscc2Br)cc1Br 404763431 KLPWEVDXHHESQA-JTQLQIEISA-N 504.867 6.223 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085434 AVEUCVNGXYJNAM-CUDUBCGHSA-N 673.041 6.524 50 10 KKGE CC(=NNC(=O)CSCc1cccc(Br)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1083870649 WWRYQLRFPJFKGX-AHPZMPFVSA-N 564.524 7.188 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1083916285 GWQOYHTUKLJJCK-KGENOOAVSA-N 510.396 5.967 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C)cc1 1083949087 SFGWCBQTGLHWLO-UHFFFAOYSA-N 507.384 6.245 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1083998311 CDTMDJSSINODDO-UHFFFAOYSA-N 625.534 5.352 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084062096 KZFNMXOHJKVRFM-UHFFFAOYSA-N 569.514 5.742 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(I)cc2)cc1)c1cc2cc(Br)ccc2o1 1084177248 ICPDORDZJCNUSW-UHFFFAOYSA-N 575.200 6.143 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 1084250982 WRYRYYDREKKABL-UHFFFAOYSA-N 693.439 9.474 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084270872 PMJZMTHZCZGCFQ-JOCHJYFZSA-N 685.256 5.347 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)COc3cccc(C)c3C)cc2)ccc1OCc1ccc(Cl)cc1 1084287914 XNUPOMMYDSJRTL-UHFFFAOYSA-N 572.061 6.326 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1C 1084314789 QXHHZEDMMRIMRG-UHFFFAOYSA-N 530.650 5.111 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1F 1084473734 KJRUUIDDERKTSM-PXLXIMEGSA-N 597.428 5.274 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084546512 LLBWHYAXGOJQMT-RUZDIDTESA-N 545.463 6.334 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2c3ccccc3cc3ccccc23)cc1)c1ccccc1 1565517804 BQJJQZOVGUPUEC-DHUJRADRSA-N 544.658 8.113 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749234 YLNIUTRXPGBCRC-UHFFFAOYSA-N 563.395 6.069 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNc1cccc(C(F)(F)F)c1)CCC2 1772750775 LBLLKMWPWHPKGU-UHFFFAOYSA-N 539.341 6.141 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865689071 JGDFOYSKVIFQAG-LJAQVGFWSA-N 506.606 5.744 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OCC 1865691311 PEANRMYALKPZFN-NDEPHWFRSA-N 554.622 6.152 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865691578 VXCGUWKSJDOUMQ-DEOSSOPVSA-N 565.512 6.908 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc2ccccc12 1865693989 SPSHWEZVLZSQAU-MUUNZHRXSA-N 528.612 6.708 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2O)c1 1865695548 DRCZPWIQCPSVHU-GOSISDBHSA-N 519.321 5.253 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OC 1865695598 QJSCYFBTDDVCMG-MUUNZHRXSA-N 536.632 5.849 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OC 1865697320 ZNQXJWUUNGBFEV-LJAQVGFWSA-N 550.659 6.652 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701526 XNZNZNRRDZDCKQ-AREMUKBSSA-N 549.433 6.737 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702416 VHBBHMHPFDIEGJ-HSZRJFAPSA-N 504.924 5.757 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703478 WNQKGIFEDZFAMF-HHHXNRCGSA-N 545.470 7.237 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712407 XRKLUOLBJORPBJ-YTTGMZPUSA-N 568.677 7.336 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715015 SUOOTZMBVLGTHY-QFIPXVFZSA-N 515.913 5.033 50 10 KKGE CCCC[C@@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866759223 XYPHDTFSJYGQLP-AREMUKBSSA-N 507.606 6.374 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)n1 1868387861 AUYXUPUGIPORQE-UHFFFAOYSA-N 522.678 6.865 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)c(C)c1 1872748854 PXYTXWNIJHFFCG-UZYVYHOESA-N 503.849 7.495 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3c(OCc4ccccc4)ccc4ccccc34)n2)cc1Cl 1872794733 SVYUGILKRPDWGC-HZHRSRAPSA-N 509.030 8.268 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1OCC 1873794826 CFXITQGYMODPKP-HUWXKKFSSA-N 503.684 6.064 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1cccc(Br)c1Br 1905343503 PEYOLNGRKWRQED-GFCCVEGCSA-N 516.027 5.204 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915075849 JXCUJMFRBQKFQW-AWEZNQCLSA-N 506.609 5.761 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923065397 BQUQLXFYQVVRGT-SSDOTTSWSA-N 542.287 7.312 50 10 KKGE Cl[C@@H](Cc1ccncc1Br)c1cc(Br)ccc1I 1924047786 PTAZMOLWOZQDFM-LBPRGKRZSA-N 501.387 5.734 50 10 KKGE CC(C)(C1CCCCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615736 FRUKUSHKBMTOTJ-NSHDSACASA-N 537.981 8.078 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1csc(Br)c1Br 2032959088 UATHJSMZHUTAMG-JTQLQIEISA-N 519.878 6.529 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2050462164 BVMBMTPROGUXIW-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C(Nc1ccc(Cl)cc1)SCc1ccc(Br)cc1 2053621358 DEGWTHDJKGTXDT-UHFFFAOYSA-N 533.278 7.475 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2ccc(Br)cc2I)c1C 2086138484 BCMRFLAZTCEYCU-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c1I 2094667140 VHXKCACDCDUIPF-GFCCVEGCSA-N 516.011 6.616 50 10 KKGE Cc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc1I 2142115479 FWAAIHQNQIRSEM-AWEZNQCLSA-N 512.048 6.785 50 10 KKGE C[C@H]1Cc2cc([C@@H](Cl)c3cc(Br)sc3Br)cc(Br)c2O1 2146615277 DZDZMDSRRYUKCN-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE COCCOc1ccc([C@H](Br)c2cc(I)sn2)cc1Br 2176541636 ZYDIUEMDPKIZQX-ZDUSSCGKSA-N 533.023 5.020 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)sc1Br 2218596604 GXLWSRDAYYIDDU-LLVKDONJSA-N 521.869 6.967 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1cc(Br)sc1Br 2218596967 IJADVMXIAPJGMK-JTQLQIEISA-N 542.287 7.265 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2cc(I)cc3c2OCC3)c1 2240996717 OQUSZUNROSPLAQ-OAHLLOKOSA-N 510.540 5.467 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1F 2279147996 APGPQWAJQTYQQD-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)c(F)c1F 2282895152 UUWLLICJSPKDRG-LLVKDONJSA-N 523.887 6.094 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccccc1I 2288366044 YTSSVYSTMKAWLC-MRVPVSSYSA-N 580.830 6.773 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Cl 2295341555 GXLDCRUVHDMLPX-HNNXBMFYSA-N 501.871 7.459 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2296154511 GAJDCYZYKZQSQV-UHFFFAOYSA-N 555.011 6.904 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 2296724105 RHUVKWAWJIYLMK-UHFFFAOYSA-N 514.969 5.701 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)c(C(=O)OCC)c1C 2296789905 AKKDLVXDBLXONN-UHFFFAOYSA-N 517.632 6.663 50 10 KKGE C=CCOc1ccc(C=C(C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 2297497501 BPEAODZCQAQQCO-UHFFFAOYSA-N 504.036 7.406 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCCC(=O)NN=Cc1ccc(Cl)cc1Cl 2297640002 AUKGUCDDGHXXCA-MHZLTWQESA-N 680.420 7.891 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)NN=Cc1ccc(F)cc1 2297640069 OGTIBPYTYVFTQL-MHZLTWQESA-N 629.520 6.723 50 10 KKGE Brc1ccccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498779 VXXFVDFOHZEHFE-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521398 LCCWOLWYNHIHBU-UHFFFAOYSA-N 580.693 7.933 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(I)c2)cc1 2313567260 FPRKENLOIZILBA-UHFFFAOYSA-N 573.228 6.487 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571402 VOGPJZFKTMMKHO-UHFFFAOYSA-N 571.085 8.187 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314441652 AMDAMKMQWULKOA-HXUWFJFHSA-N 576.041 7.256 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593494 NWEGXVUVYSCRHD-HHHXNRCGSA-N 511.647 5.390 50 10 KKGE COc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620607 SLNPDDFCLPFBEH-UHFFFAOYSA-N 500.501 5.345 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646666 INABXHIOXJUFLQ-MUUNZHRXSA-N 664.809 5.967 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2314737357 BCHPXSAXOXQRIS-UHFFFAOYSA-N 512.606 5.437 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(CCCC)cc2Br)cc1OC 2314951027 GSHYRUSXVCTXPH-UHFFFAOYSA-N 513.476 7.305 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1sc(Cl)cc1I 2316606162 MGEZEZIAYYFNDH-MRVPVSSYSA-N 524.418 6.586 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2316709304 KBFJKNSBOPRJLE-MRXNPFEDSA-N 549.488 6.615 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)cc2F)cs1 2331286600 OJPHJMPTKVMMKJ-UHFFFAOYSA-N 506.961 7.827 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CN2C(=O)COc3ccc(Cl)cc32)n1 2331392176 YMPRDFWOMTVWBX-UHFFFAOYSA-N 502.379 5.652 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336045843 ZMFCVKJUOAIEIF-OAQYLSRUSA-N 543.068 7.722 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)c(Br)s1 2339681591 JSSXHZDFDZROOQ-SNVBAGLBSA-N 535.896 7.276 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(F)cc(Cl)c(Br)c1Cl 2360400803 JTFTZTOVDNUXOR-GFCCVEGCSA-N 512.346 6.967 50 10 KKGE CC1CCC([C@H](CBr)NCc2ccc(I)c(Br)c2)CC1 2379755176 LJFFUITWMSVVFY-TZDAIYRESA-N 515.071 5.733 50 10 KKGE CC(C)[C@H](Br)C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)[C@H](Br)C(C)C)cc2)cc1 33353145 JHQYJMAHROAZLD-SZPZYZBQSA-N 554.319 6.662 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1c(C#N)c(N)nn1-c1ccccc1 33476945 OWUGYYIBIKWARI-UVTDQMKNSA-N 501.300 5.321 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38606716 KHDIMMOYUSUYQY-PCLIKHOPSA-N 502.611 5.380 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651717 IRVQVQBUXPNESG-RUZDIDTESA-N 519.395 5.921 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38655876 KTGWYLMTWGYSPF-RUZDIDTESA-N 509.389 6.610 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCCC(C)C 38660357 IXHCBNPLIOPZOL-LJAQVGFWSA-N 514.578 5.323 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCCC(C)C 38660390 ZHUMUMYWYZNDPC-SSEXGKCCSA-N 528.605 5.631 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660860 UONLMSTVWCTRNK-SSEXGKCCSA-N 518.569 6.298 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660936 OLYYNACMJWEFBN-SSEXGKCCSA-N 518.569 6.705 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCC(C)C 38684209 UWHQHISYKGCUHF-LJAQVGFWSA-N 528.605 5.955 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1 38684675 RUCGOYJXXGTJCK-SSEXGKCCSA-N 526.633 6.728 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5)ccc43)cc2)cc1 38686279 WPUUGVKPUHQNIL-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 40529648 YSYPIDNROHOAAK-RUZDIDTESA-N 523.416 7.000 50 10 KKGE Cc1c(Br)ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)o2)c1C 58832550 UCQCIRIWGISMKX-RVDMUPIBSA-N 500.190 6.634 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)COc1ccc2ccccc2c1Br 100174803 XCRYRQIHTJVFBO-UHFFFAOYSA-N 584.264 5.637 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100207547 JWJLOKQBAMOEFH-UHFFFAOYSA-N 570.509 5.055 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335643 IBWUPZYMFYGGNC-YBFXNURJSA-N 522.355 5.799 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)cc2)cc1 100883597 JONFZDPZQOOKRB-GTWSWNCMSA-N 531.637 6.765 50 10 KKGE COC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100935474 CVKNBOURFHAAAB-VOQZNFBZSA-N 589.118 6.218 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c(Oc3ccc(Br)cc3)nc12 101115375 LULOHDIXCYEKHX-SSZFMOIBSA-N 535.785 5.757 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369318 JIWFIEGDIGUKEW-GDLZYMKVSA-N 535.512 5.590 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101374080 KGRXYAOQCXIRIA-SSEXGKCCSA-N 563.050 6.429 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OCC 101374117 ZGXFNSVOGMCLRE-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OC 101375247 LVGXMOMYDXJGGT-SSEXGKCCSA-N 526.633 6.790 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380732 QUSMWWZBJVIELD-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1Cl 101381734 BNCZYRLDLDTRNH-GDLZYMKVSA-N 587.459 7.408 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101393160 CRBGZKRYBGTIPA-SANMLTNESA-N 609.531 8.223 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101394631 BZTADIRUBZTTHK-DEOSSOPVSA-N 551.451 7.434 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399261 ILTGKMCTJZPTLN-YTTGMZPUSA-N 607.062 7.728 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1 101720553 LQJXHIPIAOIOLA-UDWIEESQSA-N 521.367 5.671 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1 103743153 FBSUKAISYXNKLX-VECHRTTRSA-N 522.457 6.045 50 10 KKGE C=CCn1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2scc(-c3ccc(C)cc3)c2c1=O 103908072 LXLHKJZZYLKJIP-MOHJPFBDSA-N 528.684 6.234 50 10 KKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800073 VPQMUGFSIRQQLM-KQWNVCNZSA-N 555.615 7.151 50 10 KKGE COc1ccc([C@H](C)CC(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)c(O)c1 105455996 KFNQRIMCAADYEX-HVMFUDPSSA-N 554.628 5.488 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Br)sc1Br 109869746 ZZNURMQIWXYHJO-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2csc(I)c2)c1 118884044 BWDSLDXAKFMZDT-NSHDSACASA-N 536.852 6.362 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Br 150411261 WJAZHCSQYYIBFW-QCOJXGBLSA-N 669.557 5.227 50 10 KKGE O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1 150424296 OSQWRKHXFMJHMV-XJECJHNESA-N 667.329 5.968 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 150497928 LOWXJGFEZYCQFC-FADJLKOXSA-N 638.699 7.101 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498055 UXZHVIUGYIAYDV-YQYQDLDPSA-N 641.794 5.367 50 10 KKGE CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1 164019780 CYTBOSLWKAMWFU-GOJREDGKSA-N 686.860 8.045 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 164720533 ZIHCZANUHAKPTL-ZDLGFXPLSA-N 652.124 7.249 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1C 206509107 PBBPAXHQBYVWKL-QJSLOHPLSA-N 540.616 5.642 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214336875 YZYXXLCJGFRQQW-LNYBZIJTSA-N 544.680 7.005 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214353742 QSWJOFPGIDTNFN-CEUNXORHSA-N 526.596 5.897 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 214410772 JCWQXSYVFVIEDM-UQQQWYQISA-N 504.602 6.366 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 217234037 JGPLRYIOAAUGLK-QOCHGBHMSA-N 501.974 5.001 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Br 233790381 HEPKWJADXSSPQL-LBPRGKRZSA-N 533.905 6.919 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)Cn1nnc2ccccc21 253578971 ZABOBMLJXCLVQG-RUMWWMSVSA-N 538.700 5.548 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)=C/c1ccccc1 254493173 QDTWKBDACSDOAS-ACNYVIDGSA-N 528.703 5.932 50 10 KKGE COc1ccc(C(=O)NN=C(C)c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(C(C)=NNC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 254873290 BMCQBEXQNOHVID-LQFQNGICSA-N 652.704 5.169 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 606508495 CTZMHDJIUFEYKE-KDBVYKBYSA-N 514.911 9.763 50 10 KKGE C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)/C=C/c6ccccc6)[C@@H]5CC[C@]24C)[C@H]13 653746646 JDLMYZWBRVKNPQ-PREOERKMSA-N 616.814 7.933 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1scc(Br)c1Br)CCO2 705474759 HKQJYVRZULCCJY-LLVKDONJSA-N 531.889 6.455 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)cc1OC 721571693 HMSLKILCPMRTEM-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](CNC(=O)Nc1ccc(F)cc1)c1cccs1 725238724 OUZYFSFLVQVFJA-RUZDIDTESA-N 538.044 7.123 50 10 KKGE COc1ccc(N(CC(=O)N/N=C(/C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 725405018 GFIGTLIAVOMJGO-HVXIHGRNSA-N 681.771 6.174 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 1083852021 OACXQUFDDXAPHN-VWLOTQADSA-N 525.443 5.699 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084377133 MRJZBCOGSDUKSB-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084525878 PRYBLOPICBXZTJ-QGMBQPNBSA-N 570.237 6.373 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc(F)c(F)cc1Cl 1084649689 HWGKCAYCMXWZQY-UHFFFAOYSA-N 522.708 5.201 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772744495 YJGGLXWICYCLFK-UHFFFAOYSA-N 513.981 6.756 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748051 HTUWNBNAXOWBFR-UHFFFAOYSA-N 526.036 6.791 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748444 XTXGJNMNEOKPIO-UHFFFAOYSA-N 529.412 5.983 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2)c1cccc(C)c1 1772749795 ZXUVMATZHQTSCP-UHFFFAOYSA-N 519.645 6.552 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)c(Cl)c5)c(C)c43)coc2c1C 1772752047 SLEONEYDJXWZSK-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccccc1C 1772753819 KJZQVTRDXDWLKN-UHFFFAOYSA-N 516.682 6.826 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(Br)c1 1772755383 DQKZPSXEGFCXFQ-UHFFFAOYSA-N 559.888 6.562 50 10 KKGE CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865683588 NBMJDCNNSXIQME-GOSISDBHSA-N 508.331 5.541 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865687062 IMHJAGUBWHFQGS-HHHXNRCGSA-N 500.643 5.906 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690408 QPFYBRBOFMWZTB-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694302 WKYSARPXXXPMQE-HHHXNRCGSA-N 555.476 6.693 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697572 WXSOCCHSQYURFR-JOCHJYFZSA-N 523.431 5.272 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704843 FVQIBBOGPAIGMV-SANMLTNESA-N 541.007 5.593 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711951 LWGWAVUCKGEBJW-XMMPIXPASA-N 559.941 5.288 50 10 KKGE CSCC[C@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866666561 CGLVTFIQADQDFL-FQEVSTJZSA-N 515.060 5.296 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866737158 BTBUVFKGZQARRV-FTJBHMTQSA-N 507.606 6.034 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)Cc1cccnc1 1867083448 XDGHKVQQDATHGU-AREMUKBSSA-N 545.665 5.278 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1 1868231519 JFZLJYUTGFKPGY-UHFFFAOYSA-N 546.104 5.692 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1872754123 DGUBAONFSDIMGP-QOCHGBHMSA-N 516.450 6.909 50 10 KKGE C[C@H]1COc2ccc([C@@H](Br)c3cc(Br)ccc3I)cc21 1925758526 XGKWGYDZUWWEJO-XXFAHNHDSA-N 507.991 6.034 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2cscc2OCc2ccccc2)s1 1934829907 BYGZFBJVFAHFLD-HNNXBMFYSA-N 523.109 7.398 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC2C[C@H]3C[C@@H]3C2)c1Br 1950082333 UQXNLPLGKOUCRH-BIIVOSGPSA-N 507.911 6.908 50 10 KKGE COc1sc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2034629531 NWYBHFOHOQJWRH-NSHDSACASA-N 522.427 6.262 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2083339687 RDPIKTSMHHEEIG-LLVKDONJSA-N 501.842 5.500 50 10 KKGE COCCC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468014 FVAHCYZSJJRUCU-GFCCVEGCSA-N 540.315 6.833 50 10 KKGE C[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469282 UJKLZPZOXJTPBZ-RWYTXXIDSA-N 582.794 7.999 50 10 KKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470194 ZEPLHBZDADAEAU-UDJQAZALSA-N 590.720 7.464 50 10 KKGE CC(C)(CBr)[C@@H]1CCCN1C(=O)c1cc(I)ccc1Br 2155823007 GDUWSUQFNTXUDF-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@H]2Oc1c(I)cc(I)cc1I 2173615322 LGFSUDWOIKIHKX-BTNBEGNRSA-N 672.908 6.221 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 2203006706 ICSZMEGLIYCOTF-CYBMUJFWSA-N 595.294 6.963 50 10 KKGE COC[C@@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394523 HQUJIQXFPCPPIJ-CYVIZDSUSA-N 554.342 7.079 50 10 KKGE COc1ccc(Br)c(CBr)c1OC[C@H]1CC1(Br)Br 2220454490 UAOIYAATRLTJNC-SSDOTTSWSA-N 507.842 5.237 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)c(Br)cc1F 2225616119 CTOJIDOCIUUNQH-LLVKDONJSA-N 519.832 5.639 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198451 SZCOGIGWMJQYCB-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)cc2C=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 2295672342 OBEZUPWULCPZBK-FQEVSTJZSA-N 510.569 5.539 50 10 KKGE N#CC(=CNc1ccccc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296048012 DIRGSCDNYIOIFI-UHFFFAOYSA-N 518.314 6.674 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)cc(Br)c1 2303537945 HTOODPIYAGRZRK-QGZVFWFLSA-N 520.059 5.312 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1 2313521548 WGHVHFSQOBWHKI-UHFFFAOYSA-N 579.221 6.731 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1 2313567121 GRDVUNUCMYPXFT-UHFFFAOYSA-N 580.047 5.935 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 2313630711 FIYVAFGKWGUWDN-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 2313730311 NQYDHGLZNVZTMG-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314594116 ZIEKMOCFRPCMNC-FNZWTVRRSA-N 516.066 6.261 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618887 WCLVQLBAKAGDQK-MHZLTWQESA-N 550.659 5.798 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 2314646785 NXGPQJJYDCMLHY-SANMLTNESA-N 652.704 5.002 50 10 KKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331231970 WYWCXTLZEPQKCN-SANMLTNESA-N 505.599 6.591 50 10 KKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 2331276557 NORWXASHMQFRNO-UHFFFAOYSA-N 503.421 7.187 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)c(C)c1 2331393151 SXIZHKVVSQEUSW-UHFFFAOYSA-N 506.671 8.556 50 10 KKGE Fc1cc(OCc2ccc(I)c(Br)c2)cc(Cl)c1CBr 2379791518 IFICOLBCXXLCAR-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1 1790148 RORBHVQZGPPQFT-QPQMVVSWSA-N 536.426 5.962 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 29503217 CGEPOLLNMPMUIA-JJBJMVQMSA-N 661.788 5.303 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 33717220 MZGKOOYKDNBCKH-JSIHEXFSSA-N 512.393 6.197 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 38685486 WRKWOAQRAJXQRA-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c(OC)c1 38688456 NFVHQOGVFYYACX-VWLOTQADSA-N 516.937 5.849 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1OC 38688646 NYKSDERNNBTPSF-XMMPIXPASA-N 500.482 5.335 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)C)c(C)c1 40934707 DLSSIORYWATVLH-HYARGMPZSA-N 502.567 5.318 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 58890015 HSXPWXFXGMIAML-PVEGLGLCSA-N 511.416 5.309 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(Cl)cc1 58989454 XNYZQODTXATXBD-ZTKZIYFRSA-N 504.059 5.729 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59260872 FUTANJZZGZXDTO-FDAWAROLSA-N 526.666 5.206 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 59335265 BQDRUWQJRQRSSC-IUXPMGMMSA-N 506.216 7.733 50 10 KKGE N#C/C(=C/c1ccc(Br)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 83252596 QLULFTIUOZZAOD-WDZFZDKYSA-N 504.159 6.099 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(I)cc2)cs1 101034349 HMEDPMNJFGHOKS-GZTJUZNOSA-N 570.437 5.953 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242711 LHYGTMMKDKQNSR-YDYXIROLSA-N 525.552 5.658 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244715 LUYCFYBAVHRVHY-NLTRVXJZSA-N 504.011 5.804 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101307224 WNSHEPUVBKSJNL-MHZLTWQESA-N 553.398 5.769 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 101338949 DTZYJPAUMDXQEP-RUMWWMSVSA-N 568.677 7.043 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 101368804 VNSOHQDGTYFYLQ-JOCHJYFZSA-N 556.210 5.658 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101385512 ZCTKGLFGQJNMPC-SSEXGKCCSA-N 598.011 6.582 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)c1 101386845 QMBYDSVWLYXXNV-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387157 MGUYIYFXOROIMA-YTTGMZPUSA-N 582.584 5.624 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389439 KMICFMMLLJATAX-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc(OC)c1OC 101393503 YZLUZYNRBWRCKN-SANMLTNESA-N 560.990 6.166 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 101397015 BWNWOPKQKMBQPE-PMERELPUSA-N 536.628 7.364 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6cc(C)c(C)cc6c5C)ccc43)cc2)cc1 101397433 PLMBKBRLDNEKQC-MGBGTMOVSA-N 570.645 7.683 50 10 KKGE O=C(NNC(=O)c1ccc(SC[C@H]2CCCO2)c([N+](=O)[O-])c1)c1ccc(SCc2cccc(F)c2)c([N+](=O)[O-])c1 101665621 MNCPYAHHLAPCEJ-HXUWFJFHSA-N 586.623 5.280 50 10 KKGE CCOc1c(Br)cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1OC 101735028 IWVAMRZHXWTFHV-DFMPKFEDSA-N 551.393 5.292 50 10 KKGE Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1 102922120 IFWXKCVCZAMUQB-PTGBLXJZSA-N 540.623 6.077 50 10 KKGE C/C(=N\NC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(Br)cc1 104769123 LOLCOMNDTKRKOK-MWAVMZGNSA-N 562.537 6.228 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 135309556 LYURPBPKHXXULF-LLVKDONJSA-N 519.878 6.529 50 10 KKGE COC1=C/C(=C/NNC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)C=C(Br)C1=O 136930616 AOZWSHYODMEUJD-SAPNQHFASA-N 504.384 5.029 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150422543 LTGPKVLYKSJCHR-UHFFFAOYSA-N 637.394 6.038 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432906 YMSFIDWFEHSGHP-DIPNUNPCSA-N 677.584 8.927 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 150441785 HJWSNOCYQWQWMY-MGBGTMOVSA-N 631.512 7.482 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463304 NNPLTKNFWVWGSO-XIFFEERXSA-N 655.534 8.690 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 164612364 BWSXPOJVQZIIDM-IPBVOBEMSA-N 644.090 7.450 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 214249348 LXCRPROINNHJIO-ONUIUJJFSA-N 510.663 6.432 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 214317374 XVYCZQKAUUBSNZ-PKAZHMFMSA-N 518.573 5.714 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)cc1Br 235814185 LOGQULSSDDJFSX-CQSZACIVSA-N 534.844 7.106 50 10 KKGE CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1ccc(NC(=O)c2cccc(F)c2)cc1 252618204 LEYLTLWXSFSHPT-UHFFFAOYSA-N 530.603 7.064 50 10 KKGE Cc1nn(-c2ccccc2)cc1C=NNC(=O)c1oc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N 252621967 NLJMQQCLFCBGAX-UHFFFAOYSA-N 536.979 6.248 50 10 KKGE CCc1ccc(C(C)=NNC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2Br)cc1 252624374 PMUFREJZVNWKKG-UHFFFAOYSA-N 566.378 7.407 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 252629358 UEGVSSQXZQSONK-UHFFFAOYSA-N 592.117 6.215 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@H](O)[C@@H](Br)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 253388569 KJMGDBGFBNCRQT-BFAQFJNCSA-N 521.624 7.611 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccc(F)cc1 254346451 GPKUDGUMFDSFPB-UHFFFAOYSA-N 510.598 5.414 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 254622125 FSWITAMKGXHRMA-FQJFPRNKSA-N 528.594 5.149 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 263626443 GYFPBWQOUSNXLP-UHFFFAOYSA-N 545.665 5.197 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)cc1Cl 311948223 JBYLJPQIJAKURL-CQSZACIVSA-N 532.295 7.420 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccccc2I)C1 382688801 OJUIMJVWTKHPTQ-DOTOQJQBSA-N 500.174 5.038 50 10 KKGE Clc1ccc(I)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 382692907 AKCYKRNFHXFGOC-RHSMWYFYSA-N 537.610 5.595 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2I)c(F)c(F)c1F 395618503 SNUZBTAPULAUJL-SNVBAGLBSA-N 523.887 6.094 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)OC2 575232217 OSEKHTMTABJUIJ-YILDBXFYSA-N 711.010 5.700 50 10 KKGE in-vitro C1=C[C@H]2CC(=C1)Oc1cccc(P(c3ccccc3)c3ccccc3)c1-c1c(cccc1P(c1ccccc1)c1ccccc1)O2 642813905 FATMCSUYPMIESF-HKBQPEDESA-N 630.664 7.854 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 725413269 GTVSIUWTHLUNGC-UHFFFAOYSA-N 544.382 5.748 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 1083915910 WEQCORSASGDDSF-QFIPXVFZSA-N 564.249 5.894 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1084275378 AIDNUASYWWFRGQ-UHFFFAOYSA-N 651.141 5.029 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084501258 GBUDJJOUDNQUCU-UHFFFAOYSA-N 612.274 6.727 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 1084578852 JMWPJWHVVVHBPU-RUZDIDTESA-N 504.656 5.269 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084636470 LUHWECDCXMLEKZ-OVCLIPMQSA-N 571.085 8.187 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653208 UGEMBKWLQYEQDU-DSLZUCJSSA-N 525.674 6.122 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745571 BKALFEUCVSXPQB-UHFFFAOYSA-N 534.528 5.725 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5)c(C)c43)coc2c1C 1772751878 OWSQRQUJNVISEC-UHFFFAOYSA-N 547.011 5.079 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 1772755066 KIUVUDPKHAXKIK-UHFFFAOYSA-N 538.492 6.394 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 1772755161 RALFNFRAXZWCFU-UHFFFAOYSA-N 673.098 8.744 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c(Br)c1 1772755451 HYEFZOWHLGHLKJ-UHFFFAOYSA-N 604.339 6.671 50 10 KKGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848434808 NMNGXZIYPJHWNQ-BLLGEXSUSA-N 793.786 6.704 50 10 KKGE CO[C@@H]1[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H](CC=O)[C@H]1CS(=O)(=O)c1ccccc1 1857788692 LHMXTZSRSFQTQK-MATSHLKWSA-N 600.967 6.250 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690327 OPCRRNQLDPMCCV-MHZLTWQESA-N 545.470 6.988 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865690866 CXGHWGUGMGYSDW-NRFANRHFSA-N 514.504 5.305 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccc(C)cc3)cc2)cc1 1865692498 GMNGWYFQZGXGGS-VWLOTQADSA-N 530.550 6.364 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc(OC)c1OC 1865692711 OUPKYAKZFDJSDE-XMMPIXPASA-N 546.986 5.635 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865693647 XPXFTCAFGQAASI-SFHVURJKSA-N 525.314 5.492 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865695581 QAYDJKGFRBRFOM-NDEPHWFRSA-N 510.569 5.493 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c1O 1865695772 HEEFLZXZYZOKRC-INIZCTEOSA-N 573.728 5.438 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698276 PEVZNWMNLAWRGB-JOCHJYFZSA-N 523.431 5.520 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OC 1865710979 MYEBBERDOFMLOB-VWLOTQADSA-N 528.996 5.496 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@@H]3C2)n1 1868300350 CLBAXNWGPZDVQR-MHZLTWQESA-N 539.108 6.842 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1C 1868320833 PEKZTXWPSPVETK-AREMUKBSSA-N 535.673 6.938 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4nnc(-c5ccc(Cl)cc5)o4)CC3)nc(-c3cccnc3)n2)cc1 1868565904 PMYFYIOFMNNUPY-UHFFFAOYSA-N 568.066 5.885 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3cccc(OCc4c(Cl)cccc4Cl)c3)nc(O)c2cc1OC 1872727642 QEDAKJBMMGBESE-CXUHLZMHSA-N 508.361 6.303 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Cl)cc1Cl 1872728573 JQEACNUCKDWJCG-YBFXNURJSA-N 500.378 7.193 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 1872743651 FRHDANFOBNGYEK-NSSHJNEVSA-N 519.670 7.448 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C\c3ccc4c(c3)OCCO4)n2)cc1 1872753222 MSZAAGWCSGIFDT-VDXNDERSSA-N 502.636 7.437 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)cc3)n2)cc1 1872791431 JDWHFEUQEWOUCO-XHLNEMQHSA-N 522.714 9.111 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(Cc4ccccc4)C3)n2)cc1OCCC 1872818228 SSWXXFGLEGUDJV-NIFLQSGPSA-N 517.651 6.229 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873496604 ZHAAJQDBSKRJDY-FDAWAROLSA-N 520.029 5.511 50 10 KKGE FC(F)(F)c1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923074614 PCGQOBCWBPUCIP-MRVPVSSYSA-N 513.398 7.430 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CCCCCCC2)c1Br 1924589833 FYEGQARQBKLSJA-SNVBAGLBSA-N 523.954 7.832 50 10 KKGE Fc1cc(Cl)cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1F 1924607079 PKQBCPBFBBQBPD-MRVPVSSYSA-N 515.826 7.295 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2sc(Br)cc2Br)c1C 1951017734 CIESXEUCENLPBB-VIFPVBQESA-N 523.935 7.198 50 10 KKGE CCc1cc(Br)c([C@H](Br)Cc2ccccc2I)s1 2029234945 LHBLISCAXIFCCL-LLVKDONJSA-N 500.037 6.356 50 10 KKGE COc1sc([C@@H](Br)Cc2ccccc2I)cc1Br 2034641225 MHFZKNWAZITVKQ-VIFPVBQESA-N 502.009 5.803 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sccc2Br)c1Br 2081069454 AEPTYXCBSIQBOV-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Clc1cc([C@H](Cl)c2ccc(Br)cc2Br)ccc1I 2083329905 IPOWWXUUBUNOOL-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE Clc1cc(CC(CBr)(CBr)C2CCC2)ccc1I 2086659144 UCSJVIZNMLNVSQ-UHFFFAOYSA-N 506.447 6.063 50 10 KKGE Fc1ccc([C@@H](Br)c2cccc(Br)c2Br)c(F)c1Br 2092334604 IIGNDVBAPGONSO-JTQLQIEISA-N 519.803 6.737 50 10 KKGE CCCC(CCC)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478361 XOUXNDNIEAXZPP-CQSZACIVSA-N 540.359 8.233 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC2CCCCCC2)c1Br 2206397539 KJWDNDJIAOZOQJ-JTQLQIEISA-N 596.821 8.533 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)ccc1I 2207109691 ACKPBOJJTCQUMB-LBPRGKRZSA-N 536.379 6.778 50 10 KKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270491 BPGBJJVYRVMYOY-TZMCWYRMSA-N 515.027 5.222 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cscc1OCc1ccccc1 2213488103 CBCLVDXGQZDJEG-SFHVURJKSA-N 535.070 7.476 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1Br 2218964045 FBAFFYKKEMUXOC-SSDOTTSWSA-N 602.831 7.961 50 10 KKGE Cc1cccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222472562 PLAXXNPQUXMHLH-SECBINFHSA-N 517.906 7.023 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1Br 2225321033 GIHGOSSGHSKIQV-UYAYMFIHSA-N 535.965 7.688 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2I)c(C)c1Br 2227358025 YMNLHAAVCQZGFG-GFCCVEGCSA-N 562.869 5.651 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1 2232512463 UGOMNNCLYCLQAP-NSHDSACASA-N 526.252 7.795 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1[C@@H]1CCOC[C@@H]1OCc1ccccc1 2234055778 DKAMOGPYCPCCAP-MJGOQNOKSA-N 514.645 5.847 50 10 KKGE Fc1cc(C[C@H](Br)c2ccc(Br)cc2I)ccc1Cl 2277903276 QJUMLEDKOZDXMC-NSHDSACASA-N 518.389 6.525 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2293704402 QWUIXLXFSKQKBS-UHFFFAOYSA-N 538.460 6.070 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1 2296546314 UQTUCDHEABZYJV-UHFFFAOYSA-N 511.560 7.198 50 10 KKGE N#CC(=C(C=C(CC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 2297534482 UNLZWHHCRAWVBD-UHFFFAOYSA-N 539.418 8.693 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccccc2OCc2ccccc2)c1 2299501605 PQSLATMOBYROIG-HHHXNRCGSA-N 538.279 8.091 50 10 KKGE Cl[C@H](c1cccc(I)c1)c1cc(Br)ccc1OCc1ccccc1 2299504940 RKNPYNHGBSNEGY-HXUWFJFHSA-N 513.600 6.961 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313556675 IBFNIJNLNALRHS-UHFFFAOYSA-N 575.419 5.692 50 10 KKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 2314490166 VUEHHUHSGTZYON-UHFFFAOYSA-N 508.599 7.321 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C(C)=C(C#N)C2=O)cc1OC 2314617504 ZJFRBUPQSSDXQZ-UHFFFAOYSA-N 602.735 6.192 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314621149 ZRKVCTBEPSXPOK-UHFFFAOYSA-N 641.511 6.580 50 10 KKGE CCC(=CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321386461 ZOVUUUMLRZEAMZ-VWLOTQADSA-N 564.505 6.190 50 10 KKGE COc1ccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)c(Cl)c1 2331030656 WFYHIUBWSYBZKD-UHFFFAOYSA-N 508.810 6.573 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nc2c1 2331046473 DUBVJRGHETXVTE-UHFFFAOYSA-N 506.345 6.072 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)c(C)c1 2331309034 PHDYYWXBZXXJGK-UHFFFAOYSA-N 515.638 7.887 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)n1 2331322923 JANGXKXJJCNCPD-UHFFFAOYSA-N 508.559 5.268 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 2331331985 QVOLXDMACSIVMI-AWEZNQCLSA-N 517.876 7.784 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3cc(OC)ccc3OC)n2)cc1 2331345409 IPCALCHPZSPZFC-UHFFFAOYSA-N 504.652 7.683 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2331443272 FORIDBPKDZJMSH-UHFFFAOYSA-N 511.485 7.831 50 10 KKGE Cn1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2337096126 GFZDYLREYHARKH-MRVPVSSYSA-N 540.250 5.984 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)cc1I 2365177651 BYJXXBJVIIXXST-LBPRGKRZSA-N 580.830 6.887 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1I 2365596541 WIMKNECAEZSPDS-LLVKDONJSA-N 601.248 7.232 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@](C)(C(=O)O)c1ccc(OCc2ccccc2)cc1 2377092086 PVHFGWBMJXNVRH-RUZDIDTESA-N 506.690 5.061 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 2089847 SZZBJQZWLYDWBU-FTJBHMTQSA-N 515.610 6.042 50 10 KKGE CCOc1ccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058803 SIZDKZCBZAMBRX-SLEBQGDGSA-N 522.026 5.864 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N1CCOCC1 35446243 OPROGOBAWLVCBS-JJIBRWJFSA-N 508.553 5.023 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 38660201 WSUZHXDEOXFWHQ-GDLZYMKVSA-N 514.578 5.249 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCCC)cc1 38682890 PBLZROOEMQZYGP-PMERELPUSA-N 526.633 6.872 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 38686262 VFSJYGBFMIGSJT-PMERELPUSA-N 518.569 6.020 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C\c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O 39858525 QAYJMBOOXAVZNW-JZJYNLBNSA-N 508.578 5.647 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813714 OGBGVPGPURRAHU-DFKUXCBWSA-N 506.389 6.771 50 10 KKGE N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1ccc2c(c1)OCCO2 98063405 KZOPTRVWPDFBCC-QPEQYQDCSA-N 505.741 6.136 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100151149 LYTRSEPMNNAPSP-UHFFFAOYSA-N 564.274 5.630 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 100232036 HJQGPCZESSEXHF-GXZQEHIMSA-N 556.413 5.299 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243413 KYCMHZVOOAEAJL-JHDFWYLBSA-N 563.645 7.132 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)C1=O 101333259 FTAISXVXVPGNBV-LFVJCYFKSA-N 508.578 5.093 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 101339246 ZJFRBUPQSSDXQZ-OCSSWDANSA-N 602.735 6.192 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339394 OSAALVNOQYGKCC-OGLMXYFKSA-N 514.585 5.649 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccs1 101365571 HBFQIWQGRHCYCL-OAHLLOKOSA-N 576.672 7.218 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101375596 YTACEDBDALCLGT-PBUKZNKTSA-N 598.740 7.759 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101387389 NSNOUSOMTHJLQJ-HKBQPEDESA-N 536.559 5.780 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101395683 WLLAXBSYRNKDMH-MUUNZHRXSA-N 597.495 7.407 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)sc2c1 101398342 OPEQXVQSCYGTLZ-LJAQVGFWSA-N 613.522 8.533 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399074 BCFCDGJOWAXQLQ-UUWRZZSWSA-N 600.671 7.691 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Br)CCC3)cc1 101599451 XCHHEWDDRLLRBH-ZTKZIYFRSA-N 538.398 5.250 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615029 GSGSKURFQMNRES-ODNPBWNPSA-N 581.444 6.335 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1OCc1ccccc1 101649444 PTMASFFPLCBAAY-LGJNPRDNSA-N 548.231 5.328 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 101652215 PKWMBIJSSQOWGF-KVHIKELMSA-N 570.088 8.934 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(Br)c1OC(=O)c1ccccc1 102932786 HYTNMEPENJDZHM-YVLHZVERSA-N 552.337 5.226 50 10 KKGE Cc1c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1 103877741 NMAYZVUNXGBURE-IPPBACCNSA-N 520.814 6.924 50 10 KKGE O=C(c1ccc([N+](=O)[O-])cc1)[C@H](Br)[C@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O 105419037 SMIBGHUXYYJKFL-VQTJNVASSA-N 557.194 5.538 50 10 KKGE N#C/C(=C(\C=C(\CC(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 106065609 UNLZWHHCRAWVBD-UCXPDUAKSA-N 539.418 8.693 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2F)cc1Br 128825778 RTUVREASJGXATL-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)ccc1OCc1cccc(Br)c1 150362655 CKAQPMOWPLLTHO-VURDCNJBSA-N 626.345 7.260 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 150473569 YXWWYCZVWBVGCR-LZYBPNLTSA-N 685.643 6.582 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 150497963 IVVRBZZXMRVUOK-AJBULDERSA-N 651.119 5.944 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 196945066 AOXWVTIMEGOVNF-XWITXPBLSA-N 763.964 7.170 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccccc1 198745114 IZXSEVIGMLAPQA-VTNSRFBWSA-N 549.410 6.564 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 205780569 NEXXZWKKAHIAGR-QVKATGLSSA-N 648.741 5.253 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 214340550 INIKGWUVEYZXJA-DYACUJSXSA-N 619.747 5.923 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 214357968 KKJSSSFLNMCLQQ-USHMODERSA-N 520.633 6.253 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C2=O)cc1 214393303 BUKLIPIJSVHJCH-YKQZZPSBSA-N 572.665 6.436 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C2=O)cc1 214395325 YYZVTIJPGVCUDE-QRQIAZFYSA-N 530.584 5.349 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 232344360 YJFBTRSRTKVKRW-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Cl[C@@H](Cc1cccc(Br)c1)c1cc(Br)ccc1I 236019764 JKWSJTUUZCNPBP-ZDUSSCGKSA-N 500.399 6.339 50 10 KKGE CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2ccc(Br)o2)c1 252618621 LIUWVRQCTSLVDP-UHFFFAOYSA-N 551.249 6.970 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cccc(OC(=O)c2ccccc2Cl)c1 254488384 BXCVBFNTKQPIGY-UHFFFAOYSA-N 645.529 6.376 50 10 KKGE COc1cccc(N(CC(=O)NN=C(C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 254592514 GQUGZWRXXCXKBP-UHFFFAOYSA-N 507.656 5.059 50 10 KKGE N#Cc1c(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 254617192 OOYJRMOWDJYFJX-UHFFFAOYSA-N 600.704 6.019 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 254716332 ZIOPTNAQQBNLAA-APMUGEMWSA-N 649.788 5.330 50 10 KKGE COc1ccc(CC[N@@+](C)(CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)CCSS(C)(=O)=O)cc1OC 256206863 WUWCBXBAYBCKCW-XLJNKUFUSA-N 593.832 5.301 50 10 KKGE in-vitro CC(C)(C)OC(=O)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2I)C1 382703047 DHMVOTGVJNPLHQ-ZWNOBZJWSA-N 592.053 5.439 50 10 KKGE ClCc1nc2cccc(Br)c2n1-c1ccc(I)c(Br)c1 697734943 GZBVOCYRHDRHLB-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1 721612877 JNAQTAYCEHKZDM-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE CC1=CC(=NNC(N)=O)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@H](C)[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 1081818024 NJXPVAVICLRJJI-MODZGDLJSA-N 545.765 5.847 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc2ccccc2o1 1083844877 LOLHZKLAYKZMCG-UHFFFAOYSA-N 560.451 8.084 50 10 KKGE COc1ccc2cc([C@H](C)C(=O)NN=Cc3c(SC)sc(SC)c3C=NNC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 1083921065 MEUVMYLFGUPQHN-VXKWHMMOSA-N 684.909 8.023 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1 1083966938 WYZOSOGMOWTAPK-UHFFFAOYSA-N 504.384 5.591 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084029301 AEPGMIIANFIPFD-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 1084094602 VHVOOBSYJPCTDU-MUUNZHRXSA-N 538.475 6.667 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccccc2C(=O)O)cc1)S(=O)(=O)c1ccccc1 1084118442 IVZDCWAQWPUMCN-UHFFFAOYSA-N 562.047 5.506 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 1084392961 VFFHUKOYNPXNAU-XMMPIXPASA-N 501.410 5.935 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(F)cc3)c(OC)c2)cc1 1084466000 QEKDKDOXMPNLCG-XMMPIXPASA-N 606.432 5.381 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 1084494327 IDAHIERVFSFKCV-NDEPHWFRSA-N 734.372 6.991 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1615773203 HRYAQLIYKSXPET-ZGMJXROTSA-N 988.212 11.054 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773635 VIQGGYZFTMULIY-VXSVUSAASA-N 647.146 10.753 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746812 ABUHXIOGAHGENG-UHFFFAOYSA-N 531.352 5.534 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772749674 PCBREZOTQZBAAU-UHFFFAOYSA-N 530.396 5.950 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1772755169 RTRYTTMAFDLYSF-UHFFFAOYSA-N 685.880 8.753 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2Br)ccc1OCCc1ccccc1 1772755529 KYYNIXLWXDUGIC-UHFFFAOYSA-N 539.470 5.906 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865685525 JTPSZYWIOBNAMS-NRFANRHFSA-N 507.808 6.777 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686364 VMUVTMJDKCUAAL-JOCHJYFZSA-N 568.258 6.835 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686792 AZARVZBDCIOQCU-PMERELPUSA-N 534.660 6.307 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686905 DTQFOQVPCJSTTI-MHZLTWQESA-N 561.469 6.937 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865688488 TVHQCAWXLSQEMQ-HHHXNRCGSA-N 519.004 6.632 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OCC 1865690858 CUGHGMQRQNYHFK-AREMUKBSSA-N 521.061 6.664 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 1865693664 XSQYJBKZGKGWJB-QHCPKHFHSA-N 523.431 5.739 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695421 ONCMGPPPPJOPCM-MHZLTWQESA-N 527.024 6.202 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701459 WAIOFISBTKFWMM-VWLOTQADSA-N 512.997 6.029 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705104 MIQSVERRRRMBIS-KRWDZBQOSA-N 539.297 5.192 50 10 KKGE C=Cc1ccccc1OCC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867266226 ANJPHRALQYGWJS-XMMPIXPASA-N 503.649 5.338 50 10 KKGE CC1(C)COC[C@@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868566330 XDOZAAGAMXMPCM-XMMPIXPASA-N 508.651 6.082 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1F 1872752902 YLXJFBMMLGGIGS-NMWGTECJSA-N 501.495 5.297 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872755005 UIUPFYCMNKCNPB-UZYVYHOESA-N 518.551 5.213 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@@H]2C[C@@H]2Br)c1Br 1900361596 IDQPKVUTFPNEEF-PDJPSNROSA-N 500.225 6.224 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1sc(Br)cc1Br 1922947085 YMGILYJAUKLPEZ-JTQLQIEISA-N 524.297 7.126 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 1923054576 HJKRZCNHRYINOG-YFKPBYRVSA-N 564.771 7.841 50 10 KKGE COC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025779250 FCIWMZFLTAFXSU-SNVBAGLBSA-N 556.712 6.352 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1ccc(Br)c(C)c1Br 2083334733 TVGBPHSWMQHMLQ-NSHDSACASA-N 518.894 6.532 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1I 2086024172 RZCSNFVRFAAVDS-VIFPVBQESA-N 585.324 7.324 50 10 KKGE CCc1sc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2086139244 MFSKOJNYDYUDMK-ZDUSSCGKSA-N 520.455 6.768 50 10 KKGE Brc1ccc([C@H](Br)c2cc(I)sn2)c2ccccc12 2120034804 ZTLUSCADPQVRTR-AWEZNQCLSA-N 509.004 6.148 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1ccc(Br)cc1I 2142279734 UKSYWMNFAYDPLW-NSHDSACASA-N 534.844 7.039 50 10 KKGE Clc1cc(C[C@H](CBr)c2ccccc2Br)ccc1I 2142938896 CBXQUZHJERNLHX-LLVKDONJSA-N 514.426 6.428 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2c(Br)cccc2Br)c(F)c1F 2150496442 VUYHBGYEVFWLCM-LLVKDONJSA-N 537.793 6.876 50 10 KKGE CN(C(=O)c1cc(I)ccc1Br)[C@H]1CCCCC[C@H]1Br 2172546712 IINAMHGRONNUQH-KGLIPLIRSA-N 515.027 5.222 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2Br)cc1Br 2202349730 ASNPDDACCMWMHZ-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2c(F)cc(Br)cc2F)c1Br 2203688999 WSQFUKPFQMHOGF-CQSZACIVSA-N 533.830 7.045 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCCC1CCC2 2206396524 XWGUPSKGFMGMQX-OOCCNLOMSA-N 550.354 7.987 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 2206406162 VZRPXPYSEJSMES-ZPIYHQRDSA-N 548.338 7.309 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)c(F)c1Cl 2207261850 NYAVVKZTQSYCGQ-LLVKDONJSA-N 601.248 7.232 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(Br)cc2I)c1Br 2207276687 YPBCIFCKVADDCJ-VIFPVBQESA-N 604.849 7.381 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2229318156 QOFUQUBJWACMQQ-NSHDSACASA-N 617.220 8.197 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2234067790 NKZYKCGGORHDQJ-KUUHDYPXSA-N 509.673 6.092 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2F)c(C)c1Br 2235604827 PFRDJCQBCUDOIM-HNNXBMFYSA-N 532.416 6.900 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Br 2296647822 DQOSPCRUWBYJJX-UHFFFAOYSA-N 604.482 5.660 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2cc(I)ccc2Br)s1 2300955693 PFSBEHMZQCZYRG-SNVBAGLBSA-N 573.846 6.701 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Br)cc1 2313518646 NCCGDCJDYBBCHY-UHFFFAOYSA-N 601.251 6.643 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1 2313545852 KCDLHZGFYCQJSJ-UHFFFAOYSA-N 627.910 6.178 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1 2313670504 BBUKVEBGABOFBH-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1C 2314533556 RPSFRUNSLGIVIX-UHFFFAOYSA-N 506.606 6.255 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314616879 LVBRAIXOSMQWPF-UHFFFAOYSA-N 552.627 5.435 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314617320 VXIKHQIBEAVGSF-UHFFFAOYSA-N 572.734 7.532 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314619065 ZEYYUUALVSURIG-UHFFFAOYSA-N 506.562 5.304 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314640726 RTDXRDXONALEQK-GDLZYMKVSA-N 549.454 7.399 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318643 KDPOWCPPLFJPSI-MZNJEOGPSA-N 501.608 6.102 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331362706 NEPNSRIACWLCTP-GOEBONIOSA-N 514.434 6.528 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2338722240 KZGXVHQHWFFWBH-SECBINFHSA-N 580.738 6.263 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)s1 2339683444 DASOANGECNFBPH-LLVKDONJSA-N 535.896 7.276 50 10 KKGE Brc1cc(CC[C@@H](Br)c2ccccc2Br)ccc1I 2349835344 JKDUKNRPIYNJET-CYBMUJFWSA-N 558.877 6.885 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2362222768 DKYLPKPKMOLDTM-LBPRGKRZSA-N 570.703 7.857 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2ccccc2I)c1Br 2362246906 FACMVMWIHZSILA-QMMMGPOBSA-N 597.285 7.287 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1cc(I)ccc1Cl 2380521774 IJHQJGIAAMLNOS-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)n(-c2ccccc2)n1C 29491633 LNHPDIYWTNMJMU-MEFGMAGPSA-N 647.761 5.057 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38649675 UCJFMZFOJPAFSF-WJOKGBTCSA-N 500.598 6.766 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 38660359 BMVOJNTXAIAYHC-SSEXGKCCSA-N 528.605 5.631 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 40514736 XTAHXEPCWMQBLL-AFUMVMLFSA-N 514.528 5.735 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)c1 40530097 NRTRFVNTINJTHM-URAOTHONSA-N 526.633 6.409 50 10 KKGE O=C(N/N=C(/CCCCl)c1ccc(Br)cc1)[C@H](Sc1ccccc1)c1ccccc1 58978863 SVZLEOGTSMZJPV-ARFXMCQGSA-N 501.877 6.822 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1 59304849 VJFYRYPEKNHZSK-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(OC)cc2)C(=O)CCl)cc1OC 97914950 PJEZOXWMWHGTLH-MHZLTWQESA-N 517.066 5.250 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 100236278 QEBFODJFLDQRMB-ABZYITTCSA-N 545.861 6.044 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)cc1Cl)[C@@H]2Br 100922367 OCGOSOQHXYOUMS-DQYPLSBCSA-N 591.953 5.440 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 101012279 SEGYMPKIMYJRAT-FSGOGVSDSA-N 535.600 6.596 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246670 MDCLZJWZRRHNQD-FZBRZNRVSA-N 588.007 6.441 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101336018 SMOVIDCQTIKVAL-AJBULDERSA-N 590.655 6.276 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341295 DAABFKOLDXYGGA-MWAVMZGNSA-N 580.685 6.044 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 101368972 TXGHSGROGVEQEP-SHACYNPGSA-N 539.357 5.188 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101389555 JCTOPYVGINJRGZ-BHVANESWSA-N 600.646 7.323 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)CC1 101390976 UHCFHJZUDOAPFQ-LGISWJOYSA-N 536.672 7.386 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)oc2ccc(Br)cc12 101392094 WMPIOWVNMKIMPR-HSZRJFAPSA-N 570.226 7.248 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)c(C)c2c1 101394102 TVBDNEYUZFUHQM-VWLOTQADSA-N 529.390 6.504 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101395793 HODUNNMJXHUJOJ-KYJUHHDHSA-N 556.615 5.474 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(C)cc6c5C)ccc43)c2)cc1 101398324 FRFGZLFOAFOZDG-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 101405967 RILAZBOXHAPJSQ-PKIWBCANSA-N 583.449 5.179 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 101710548 NRSFFWCCTBDVTL-MEFGMAGPSA-N 544.054 8.409 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1 103880100 DCLRQDXOYYLFDM-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 105436816 FCOHUGNRFNLAOS-VUTHCHCSSA-N 535.600 6.596 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 150389264 XEORXIIOZJISSR-UHFFFAOYSA-N 662.404 5.598 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484925 USNTYDZOZNFBQZ-TZBQGJFWSA-N 633.915 8.071 50 10 KKGE COc1ccc(CN2CCN(C[C@H](O[Si](C)(C)C)c3cc(Cl)c(N)c(Cl)c3)CC2)c(OC)c1OC 195752152 HFWAQHYDTXOLHD-QFIPXVFZSA-N 542.580 5.312 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1OCC 207296104 VTPVCTSWSGOOMC-QRBIQNAOSA-N 506.599 5.325 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214405847 QEDPKEQGRUUTSM-QFEZKATASA-N 563.545 5.388 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2I)c(Cl)s1 236068859 LQSSJMHUCNDZIC-JTQLQIEISA-N 526.846 6.906 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1 252592230 BDTPACHQOZSPKC-LEWJYISDSA-N 509.400 5.813 50 10 KKGE COc1ccc(C=NNC(=O)[C@@]2(C)CC2(Cl)Cl)cc1CSc1nc(C(F)F)cc(C)c1C#N 252630194 UWTSMVPOEAULLR-OAQYLSRUSA-N 513.397 5.534 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)COc2ccc(C)c(C)c2)cc(OC)c1OC 254516419 GAZSJMNCCPPXHJ-UHFFFAOYSA-N 650.320 5.603 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254572449 GAVRWTZRUUUWFZ-UHFFFAOYSA-N 894.772 7.852 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCCO2 254715669 SRICXWCKNPAWPY-UHFFFAOYSA-N 639.094 5.728 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccccc1 254734066 AAWFNXPVNXJKNX-YTTGMZPUSA-N 600.679 6.413 50 10 KKGE CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025398 ZABGVVSMPPOCTH-UQYUBARXSA-N 728.779 12.831 50 10 KKGE Cc1cccc([C@H](Br)c2cc(Br)sc2Br)c1Br 300466727 JJTDJHXGLGSDHK-NSHDSACASA-N 503.879 6.828 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(I)ccc2Br)c(C)c1Br 380039045 MLYNMGMBMZUERU-INIZCTEOSA-N 572.904 7.226 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccc(Br)cn1 389208806 SZUYASWXBMRAOL-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616584270 AUHUBWQSDUBDNK-QVXKZJQXSA-N 602.882 6.424 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 707830750 PNZMPNAWEZNKIT-SECBINFHSA-N 542.287 7.312 50 10 KKGE CCOc1ccc([C@H](Br)c2cccc(F)c2I)c(Br)c1 721697210 IQQQKEMDQWSMIH-AWEZNQCLSA-N 513.970 6.076 50 10 KKGE CCCCCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 725390359 NHZCWIWCFOYKOI-JTHBVZDNSA-N 507.412 6.043 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 725422889 WVZPLXKDXBTEJD-QHCPKHFHSA-N 592.861 5.886 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083818412 QCJSYZSJARHGIB-RLMIVUACSA-N 620.903 8.306 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1084018214 TTWVUJDNDPRKGA-UHFFFAOYSA-N 618.542 7.071 50 10 KKGE Cc1cc(N2CCCC2)ccc1C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084064066 PLCJCQIBNYSEBW-UHFFFAOYSA-N 549.331 5.784 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(Cl)cc1Cl 1084210665 FIYCIVCEABKKBG-UHFFFAOYSA-N 531.031 6.201 50 10 KKGE CC(=NNC(=O)COc1c(C)cc(Br)cc1Br)C(c1ccccc1)c1ccccc1 1084450843 NFTLIDZGCCAGMV-UHFFFAOYSA-N 530.260 6.223 50 10 KKGE CN(C(=O)c1ccccc1)[C@H]1CCc2c(F)cccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088689427 DGRIEXFSXRRPFO-QFIPXVFZSA-N 514.479 5.337 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1cccc(Cl)c1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357462 YDJUYIWFJNJTQE-CGRTXEHKSA-N 555.315 5.912 50 10 KKGE C=C(C)[C@H](CC[C@](C)(O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@](C)(CCC(=O)O)[C@@H](C(=C)C)CC[C@]12C)OO 1615257444 JZASRXZWIPRQHB-WAOGDRMJSA-N 680.876 5.263 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865695723 RYARAWIHFXYDME-IBGZPJMESA-N 504.896 5.229 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865696171 XWUPQUDRPXYTNZ-SANMLTNESA-N 543.023 5.886 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696642 PCLCSXBRSPHIIV-IBGZPJMESA-N 506.187 5.233 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697203 PMFVKTOPRUPFEC-HXUWFJFHSA-N 564.267 6.129 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c(OC)c1 1865707810 GWXICMSMFYDMLS-DEOSSOPVSA-N 533.415 6.141 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)cc1 1865710563 BPJRRUFTDTXBAI-QHCPKHFHSA-N 504.924 5.757 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131782 NJSMTQMPZXBEEG-UDWIEESQSA-N 523.452 7.023 50 10 KKGE CSCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867037260 QRUZFFUSWLXGBT-NHCUHLMSSA-N 575.579 5.877 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(C3CC3)n3nc(C4CC4)cc3n2)cc1 1867178382 RZEQNUDZBLZDEY-SANMLTNESA-N 568.728 5.728 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)c1 1868321281 YFXZIXCSUWJMOH-XIFFEERXSA-N 555.707 7.930 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC[C@H](O)C[C@H]2c2ccc(OC)c(OC)c2)n1 1868387907 BZWBNYLFLOHKHE-UNMCSNQZSA-N 505.644 5.465 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H](C)N1c1ccccc1 1868414916 QEQRXJKNXORODX-OYRHEFFESA-N 527.097 7.217 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)n2)cc1 1868544224 AUKTYDDIIQZCSN-MHZLTWQESA-N 554.163 8.623 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OCC)c1 1872755629 XGOVLXJAYPNKBW-IRMDRMDNSA-N 503.624 6.010 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cccc(Br)c1Br 1923039386 NYIOHTMYSKBBHY-MRVPVSSYSA-N 558.742 7.780 50 10 KKGE FC(F)(F)c1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924614798 REIPNICRMBYXDK-LURJTMIESA-N 563.878 7.600 50 10 KKGE Cc1nc([C@H](Br)c2ccc(Br)cc2Br)c(Br)s1 2024294467 MFIHESZJOOENAY-SECBINFHSA-N 504.867 6.223 50 10 KKGE CC(C)c1cc(C(C)C)c([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c(C(C)C)c1 2080759160 QFFCRNRZGCZTNL-RZLWBAEQSA-N 597.849 8.956 50 10 KKGE CC1(C)C[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501253 XHXCJGQZTLILHN-NKWVEPMBSA-N 568.767 7.609 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2097826977 HZAGBXHFVHDYLW-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1cc(I)cc2c1OCC2 2143867571 DOWDJVONGPENEH-AWEZNQCLSA-N 510.540 5.353 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]2CC1 2206394099 DTVSMQMCVWHYIE-BCVALVRMSA-N 550.354 7.843 50 10 KKGE CCC[C@H](CC(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394124 FAFLXKPULBBABA-RFAUZJTJSA-N 554.386 8.479 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)Cc2ccccc2I)c1Br 2206398533 WAYCYQUCCHKEPW-MRVPVSSYSA-N 702.642 8.020 50 10 KKGE Cc1nc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)s1 2218596472 FGWARYYQJWJJSI-VIFPVBQESA-N 522.857 6.362 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Cl)ccc2I)c(F)c1Br 2236108901 LJVRTGPNFORKRZ-NSHDSACASA-N 540.342 6.609 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2c(F)cccc2I)c1Br 2282787841 VGTNFEUASDYHPY-HNNXBMFYSA-N 532.416 6.900 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295279304 MMUWCEWWLCKJIR-LLVKDONJSA-N 550.285 7.445 50 10 KKGE N#CC(=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 2295672330 NHVDWCLIFBJGHI-UHFFFAOYSA-N 515.702 7.383 50 10 KKGE CC(C=NNC(=O)CSc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1)=Cc1ccc(C(C)C)cc1 2297100775 HKUMWGMMBIRIED-UHFFFAOYSA-N 664.617 7.213 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2297460336 CFXTYOHRRFSZPO-NRFANRHFSA-N 528.848 6.712 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)s1 2299492898 JHLYDPILRNYIKL-SFHVURJKSA-N 531.107 7.645 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl 2313521443 OOBJYYBJYZJBOV-UHFFFAOYSA-N 515.778 6.905 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c1 2314437004 YRIORVGVWXIYKQ-UHFFFAOYSA-N 536.407 5.205 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314489648 UKCVFTFWUDNBKP-UHFFFAOYSA-N 546.358 6.911 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314591875 GQAHDIHZHRCXSM-NDEPHWFRSA-N 509.675 6.746 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592947 DUFAENSPMNGFDU-QFIPXVFZSA-N 534.003 6.211 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314616822 KNEBHRASYYBDJG-UHFFFAOYSA-N 608.673 7.358 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314617460 YSTYLMFDAKILKU-UHFFFAOYSA-N 559.582 5.557 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1OC 2314620952 WZCKWPADZCGVCW-UHFFFAOYSA-N 565.029 6.002 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 2314634307 ADXXYKKPGIRLDS-PMERELPUSA-N 545.035 6.610 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634599 MZIWKCVXMSQSCR-GDLZYMKVSA-N 531.008 6.364 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)cc1OC 2314634721 CVVDRXDYABSPBU-JGCGQSQUSA-N 538.644 6.881 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 2314643366 VLYLWOJPTIWDSV-YTTGMZPUSA-N 633.915 8.071 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Cl)cc1Cl 2314737073 KIOIMLSBXBYHPB-UHFFFAOYSA-N 511.361 5.210 50 10 KKGE ClCc1cc(Br)c(OCc2sccc2I)c(Br)c1 2316754813 MMJDHRAPXIKOHY-UHFFFAOYSA-N 522.427 6.196 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1cccc(Br)c1 2316834984 XJZCKDZAILBWJZ-SECBINFHSA-N 501.842 5.386 50 10 KKGE Brc1cc(CO[C@@H]2CCCCC[C@H]2I)ccc1I 2325376351 ILQJFSKXVIUYAR-ZIAGYGMSSA-N 535.001 5.707 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2335302494 QKVFMXFATYPLDB-JTQLQIEISA-N 511.863 7.512 50 10 KKGE COc1cc(CBr)ccc1OCc1ccc(I)c(Br)c1 2377288839 WYUXAQJVEPDHIP-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 14642218 MFTFCLFXHCIXIG-UHFFFAOYSA-N 511.416 5.153 50 10 KKGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c(Cl)c1Cl 33497120 OTQGNDCNOGKXLE-UKESRITFSA-N 510.849 5.969 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38687483 VOFBNBKXSKOROX-XMMPIXPASA-N 517.006 6.781 50 10 KKGE Cc1ccc2c(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])cccc2n1 40659396 ZEBOTEAPEBTGEV-UHFFFAOYSA-N 505.538 5.260 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813354 YUSSEZIPPNEJKZ-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc6c(c5)OCO6)c(C)c43)coc2c1C 40826626 VPSSOTAQDJHNTH-NJZRLIGZSA-N 513.550 5.331 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OCC)c1 40867236 KAJBXEXUFSDFOV-RDVKDWBRSA-N 527.573 5.762 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912344 ACDGWGGDQCJSDJ-UXHLAJHPSA-N 515.407 6.224 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 100186702 ZRZJWSPKOLZLEU-UHFFFAOYSA-N 605.382 6.210 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 100238620 ZRNLNPMWWSIIOR-SGKMTROSSA-N 561.635 5.664 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)N3CCCCC3)c2)C1 101014162 JDHIFVYHWAXWEX-FPRHVESQSA-N 557.720 5.125 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1C 101335914 YSHHHXNHCWZJLV-ZXVVBBHZSA-N 538.648 5.655 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337638 MUKGFEMVTSKQSO-DKYMNTEZSA-N 570.693 7.380 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 101367824 YAMNLYAIERUDKF-HKBQPEDESA-N 542.632 6.200 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101373934 ZTLFSYLTAFQSKG-GDLZYMKVSA-N 574.630 5.727 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376423 OMANYHPYRRGTJT-WKRVVKTRSA-N 540.660 6.970 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381481 YBEFVVMYIZEXKY-SSEXGKCCSA-N 583.438 6.231 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101388006 XTOQYLAHYHSPPK-LHEWISCISA-N 622.721 7.928 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1Cl 101390400 CBFZVOYFZBODGN-VWLOTQADSA-N 539.415 6.618 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101493524 BVXZMINZBLPWLR-UHFFFAOYSA-N 516.114 5.094 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)c1nc2ccccc2s1 103127719 BDPZJSVYBQVFCD-PTGBLXJZSA-N 551.697 6.388 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 103877526 XDBAUCODRQQGDQ-KKMKTNMSSA-N 603.223 6.218 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929294 XXZRTZXACKYCCT-IBBHUPRXSA-N 565.099 5.761 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 150398671 NBJRFADZXIXCDP-CPWFUVEGSA-N 672.642 5.353 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 150428575 AUKXVBZMKKTTEZ-PCYMAAINSA-N 655.302 6.134 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150462667 KWSXHHNMWNUHAG-MUUNZHRXSA-N 647.511 8.372 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OC(=O)c1ccc(OC)cc1 150569251 MWDGUNNJDSFQGP-YVLHZVERSA-N 629.363 5.077 50 10 KKGE CC(C)(C)[C@@H](CBr)COc1c(I)cc(I)cc1I 166241632 CXDAZNGRXRYCRE-QMMMGPOBSA-N 648.886 5.936 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)CCC 206561784 YEBADGFZGZSUBW-FYDKYZPWSA-N 669.961 9.904 50 10 KKGE in-vitro CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(=C/c1ccccc1)c1ccccc1 206686935 JDYAQSZXCXSDSN-DQLLFQLPSA-N 518.569 6.048 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1C 214256174 JKSXDTJSYPXFQL-UGHLTKRUSA-N 506.606 5.803 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214364136 SDNAXYAKCSHGCR-QXPFVDMISA-N 582.704 7.352 50 10 KKGE CC(C)(C)c1cc(B(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3ccccc3)c1S2 218447170 XUMMNRQGHIFTJC-UHFFFAOYSA-N 686.754 9.347 50 10 KKGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)COc2ccc(Cl)cc2)c1 252588343 AATIRQMPJWESHR-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 252631794 VMIYYAOCGHZJPQ-UHFFFAOYSA-N 505.530 5.446 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3cc4c(cc3nc12)OCO4 256020105 YKRJLPNOURCUEJ-HLFWIRSESA-N 554.485 5.808 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)cc1Br 310872484 METGWNVZUQGIAL-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)c1cc(I)cc2c1OCC2 312426072 ZOGWYOWTEUGLBB-ZDUSSCGKSA-N 528.409 6.126 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cccc(Br)c2F)C1 382685628 IKEUXNQKENSYHX-GOEBONIOSA-N 518.164 5.375 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2cc(Cl)ccc2Br)C1 382697557 BJNISYJFKZAKOC-WMLDXEAASA-N 534.619 5.890 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cnn(C)c2Br)cc1Br 386203744 XQHOLEVBIPQMMW-LLVKDONJSA-N 501.842 5.500 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575332144 DGDYJRDKFZTURB-BIAARCPPSA-N 942.140 9.465 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)-c2ccccc2[C@@]32c3ccccc3-c3c2ccc2oc4ccccc4c32)cc1 642813926 GELHFNVUHNTHKD-VZUYHUTRSA-N 590.662 9.688 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1083861180 ONESVMZLYDYOPO-LFVJCYFKSA-N 590.596 6.450 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 1084152709 LXYZJXQWJBULPS-UHFFFAOYSA-N 557.723 7.436 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)c2C)c1 1084201071 KPTPXMIFVMMWTI-UHFFFAOYSA-N 625.194 7.524 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 1084302016 OYYNWNFSGNEFOG-UHFFFAOYSA-N 531.834 6.243 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773207 OOEFJWPTKXCMDU-JENZSQTOSA-N 639.126 11.358 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(N=Nc6ccccc6)cc5)c(C)c43)coc2c1C 1772752154 WEFALCKTTNRMAH-UHFFFAOYSA-N 573.653 8.018 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5nc6ccccc6s5)c(C)c43)coc2c1 1772752226 ZTUHHBFODIHTIR-UHFFFAOYSA-N 526.618 6.212 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCc1ccccc1 1772755208 UQVDCNQTJQPDHI-UHFFFAOYSA-N 517.676 6.073 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)cc(Br)c1OCc1ccccc1 1772756005 XJGRJMNMINBETI-UHFFFAOYSA-N 590.312 6.417 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703601 CHRUWLDFVZMLBB-MHZLTWQESA-N 529.015 6.474 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865704098 NFBYEVGGRUXDHS-AREMUKBSSA-N 567.860 6.947 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704439 VWMHQZPGSWRCEB-UUWRZZSWSA-N 562.673 7.928 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704780 DMJHSZFVVDMLMM-MUUNZHRXSA-N 573.068 6.791 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1ccccc1C 1865705171 NYAQMWQWUXFUMX-MHZLTWQESA-N 507.594 5.334 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865709646 ZCSHNGWILLCSNY-LJAQVGFWSA-N 557.695 5.138 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711504 AFWDATBXGCXQMO-HHHXNRCGSA-N 511.025 6.334 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712053 ORVXSOLJQSTURB-LJAQVGFWSA-N 528.587 6.535 50 10 KKGE CSCC[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866568408 JAXIKXXJBYMIIQ-NRFANRHFSA-N 564.783 6.531 50 10 KKGE CCC[C@@H](NC(=O)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)Nc1ccc(SC#N)cc1 1867028270 WFVRJHQXYHSYQS-HHHXNRCGSA-N 515.679 6.527 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872757394 DASDMTMULNNEDB-ZYLPHQSXSA-N 507.999 5.976 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccc(Cl)cc1 1872782930 XQORSKFSUHEMRJ-AFUMVMLFSA-N 509.030 8.268 50 10 KKGE Brc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 1924585182 IKEIXMHVKNAFGQ-YFKPBYRVSA-N 653.673 8.106 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)cs1 1924604508 CQYMKHVLVMFQKC-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1scc(Br)c1Br 1925623112 SGCWLKLRTLJGFC-RXMQYKEDSA-N 520.320 7.732 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012786 VXKLAISHHCZDBL-RJFBBOSXSA-N 756.833 13.612 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2048340801 VHWWRKZLKBLGMR-IBCQBUCCSA-N 521.938 7.298 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cccc(Br)c1Br 2083337797 KNSKUUBEICFRRX-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE C[C@@H]1COC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493822 HMDCBKYYUWUPRQ-KORWRZNCSA-N 570.739 6.455 50 10 KKGE Brc1ccc([C@@H](Br)Cc2ncccc2Br)c(I)c1 2086148495 AZOISEBZQCFSJE-NSHDSACASA-N 545.838 5.890 50 10 KKGE CC(C)[C@H](Br)c1cn(-c2c(Br)cc(Br)cc2Br)nn1 2121063843 IHXAOZZYJJFOPR-NSHDSACASA-N 516.857 5.647 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1Br 2137646727 SZPZOVQBPZULRU-SNVBAGLBSA-N 554.323 7.182 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC2(CC2)CO1 2141471964 YGDMYIMNGIANGV-UFBFGSQYSA-N 538.299 6.586 50 10 KKGE ClCc1nc2cc(I)ccc2n1Cc1scc(Br)c1Br 2150562587 NMTWACBOPOKBGI-UHFFFAOYSA-N 546.453 6.015 50 10 KKGE CC1(C)OCCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394534 HTCKKAMYMXCUTR-CPFSXVBKSA-N 554.342 7.222 50 10 KKGE FC1(F)CCC[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398001 PKDXKEMTRGVZRL-RQJHMYQMSA-N 604.747 7.998 50 10 KKGE Clc1ccccc1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399324 FRFFIONLPUYKLY-QMMMGPOBSA-N 611.191 8.069 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1C 2206403821 MZTVAIJJGHSMGE-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1I)c1cc(I)cc2c1OCC2 2207276385 VYHJONZSZBTFDT-AWEZNQCLSA-N 575.409 5.921 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cc(Br)cc(Br)c2)c(Cl)c1Cl 2232509359 CMIVPOCAXMJJPD-NSHDSACASA-N 542.707 8.263 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)c(C)c1Cl 2232511831 RGDYIZLVPKWYFT-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)c(C)c1Br 2235606707 XLDLLFIQUDGFDA-HNNXBMFYSA-N 576.867 7.056 50 10 KKGE Clc1ccc(I)cc1Oc1ccc(CBr)c(Br)c1 2259919384 FSHXGCCGAMTYCM-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288355677 PYXDXXYYVMFPJP-LBPRGKRZSA-N 580.830 6.887 50 10 KKGE Fc1cc(Br)ccc1[C@H](Br)c1c(F)cc(Br)c(F)c1Br 2288495564 VQOVVSIDGNHAKP-NSHDSACASA-N 537.793 6.876 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2293198242 MOOPGKBDIVHVIO-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCCCCC2)cc(Br)c1OCc1ccccc1Cl 2294705416 AVRSEEKKFNHKHB-UHFFFAOYSA-N 517.851 6.390 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296944885 PLIKKJJWYMHJTQ-GOSISDBHSA-N 536.679 7.084 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(I)sn1 2300648576 JXGQLJKDBCPKJL-LLVKDONJSA-N 507.054 6.009 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314449585 RCYLAZDBGBGIMN-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314616927 MZJCSJQXIUIHFP-UHFFFAOYSA-N 522.674 6.576 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c1 2314618961 XKUWWVFZPKNMFO-UHFFFAOYSA-N 524.621 5.347 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccc(Cl)cc1 2321721507 TZXNGUBOECJFKB-FQEVSTJZSA-N 502.011 5.025 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 2331362638 JAPWMAIICARSEW-LLVKDONJSA-N 500.363 5.603 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 2338023373 GKCQKHUPSYXJHO-AWEZNQCLSA-N 534.482 7.158 50 10 KKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2338026598 FXSZCEOHTZRUBS-CQSZACIVSA-N 534.482 7.158 50 10 KKGE Cl[C@@H](CCc1ccc(I)c(Br)c1)c1cccc(Br)c1 2349836436 MJUWOJUSBPMKQI-AWEZNQCLSA-N 514.426 6.729 50 10 KKGE Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Br 12492078 JKWRTXJFQBFQTM-UHFFFAOYSA-N 508.416 5.382 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 20468127 ZOCYOQCMSSJFGU-NAGGEUOPSA-N 525.476 7.132 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660938 OLYYNACMJWEFBN-PMERELPUSA-N 518.569 6.705 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 38679837 ZLGPWETYEGYIQX-XMMPIXPASA-N 509.389 6.466 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 38681046 JWMFESSTGGUWAQ-NDEPHWFRSA-N 512.562 5.079 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38685702 MKSQJZZEUSQZMC-RUZDIDTESA-N 511.361 5.595 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812911 RBEIFQYWIILZRS-JVWAILMASA-N 501.768 5.122 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 40927144 HHMWASCQKUQAGD-KVDUHBSMSA-N 501.926 5.068 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc3cccnc23)cc1 59383996 ZHKNGYMGMACRTR-UHFFFAOYSA-N 534.726 6.515 50 10 KKGE c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1 82174825 QRBSXRMTIIHFRG-UHFFFAOYSA-N 650.742 8.079 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100209147 BDRQHCKZXNHBFM-UHFFFAOYSA-N 526.456 5.100 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 100235290 HCKHKMFQFYWRFP-NJUOBVAOSA-N 570.871 5.916 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 100235420 HZKSQQWHXGMWHH-PCYMAAINSA-N 580.306 6.698 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1Cl 100238424 LNOSDKFJTLJIEO-GDKBXFSLSA-N 551.083 6.409 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c(Br)c1 100288205 BTVJHEKPLRUMGL-HNNXBMFYSA-N 570.322 5.628 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335505 XVAOHVIRBXXEDK-YBFXNURJSA-N 569.355 5.641 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100452493 VPLPHCSKBPHCSM-PEHSQKLVSA-N 551.437 5.419 50 10 KKGE Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)N/N=C/c5ccc(OC6CCCCCCC6)cc5)(C4)C2)C3)cc1 100489880 PUVNKBQWEGACHJ-RVJAXGLOSA-N 513.726 7.410 50 10 KKGE CCCCCN1C(=O)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C2/C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 100870061 KDYYZSQVWMDULV-CRLLLLONSA-N 642.845 6.449 50 10 KKGE COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101337989 HNPFTKDINPWFHB-UDIPQKBFSA-N 512.993 6.281 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101338152 UKUHRZHIQKKKFS-PPOKSSTKSA-N 608.673 7.092 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 101339216 PXYQBCGHFHUHDI-WEMUVCOSSA-N 630.745 6.879 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCCC)cc4)ccc32)cc1OC 101372208 LHUPXTMRWXWPGD-MGBGTMOVSA-N 584.713 7.661 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101375299 KITVWWIIEZXCRW-WJOKGBTCSA-N 577.077 6.900 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383984 IRCHNJFWUWBSSX-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385281 IEUSXFJDQFHPKZ-YTTGMZPUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387847 KCEONOGIAHPHTE-ULKXQASOSA-N 594.639 6.703 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101393221 SMQRAMGBVPETIU-LJAQVGFWSA-N 573.045 7.410 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)oc2ccc(Br)cc12 101396425 GSKBEXDOPFBTJH-NDEPHWFRSA-N 587.470 7.366 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101398817 FNJXQYKKOZVPHK-MUUNZHRXSA-N 591.422 7.157 50 10 KKGE COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1I 101696578 JBZASAGYOCJBLT-WZUFQYTHSA-N 564.548 5.103 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1OCc1ccccc1 101713666 UQFWKLXTQXTIMO-FJEPWZHXSA-N 604.339 6.626 50 10 KKGE N#C/C(=C\c1ccc(OC/C=C\c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 102327696 RAQDXTHIOMYXBG-VEPFMKAKSA-N 542.642 5.582 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1Cl 102934977 NCCLDNMYSUUTKS-PXNMLYILSA-N 605.772 5.692 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 103101941 ODMWGIGFRIUQDD-WTALZMIHSA-N 546.838 6.851 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)c1 103733057 WSUQAHWBDOLDJN-FJEPWZHXSA-N 567.427 5.703 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150481916 DLZZZVIETKSJOD-MUUNZHRXSA-N 633.940 8.878 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc2ccccc12 163797934 UTABHUXEFQUNGE-KPGMTVGESA-N 669.313 7.695 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2)cc1 210609324 NEOKTSOWGLUUDQ-IUGNPVNCSA-N 532.577 6.608 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214321734 CVKTVDLQHKSHDV-RBAUZFLXSA-N 550.659 5.735 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214347251 WSCNQASYDVCRAZ-COEJQBHMSA-N 556.666 6.470 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4ccccc4c3)C2=O)cc1 214398912 CNTJBHUOFBZKBT-QXPFVDMISA-N 564.645 6.536 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216492665 RAIXGZNSFABBMX-QOCHGBHMSA-N 501.974 5.001 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl 252595287 BZAOWLJTFOHYCQ-UHFFFAOYSA-N 662.246 5.890 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)c(OC)c1 252625590 QNISXXMQFJGKPS-OAQYLSRUSA-N 566.687 5.681 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)n2-c2ccccc2)cc1 252627517 RWAKOFKMVXIYRK-UHFFFAOYSA-N 526.643 5.365 50 10 KKGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)c(Br)o1 252627819 SCCMNLODXFIADO-NYLRJZDRSA-N 557.242 5.672 50 10 KKGE Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(/C=C/c1cccc([N+](=O)[O-])c1)=NNC(=O)C[N+](C)(C)C 254397618 YFHFIBWGRXORPO-YOCZSRRISA-O 606.732 6.119 50 10 KKGE O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)NN=Cc1cccc(Br)c1 254440402 FBUAUFDEQMIYLY-UHFFFAOYSA-N 570.874 7.514 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Br)ccc2Cl)C1 382695593 QWRHFQWTULWBTJ-GXFFZTMASA-N 500.602 5.488 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](Cl)COC(=O)CCCCCCCCCCCCCCC 605695290 MSSKDAMSUZXNRB-QEJMHMKOSA-N 613.408 12.199 50 10 KKGE Cc1sc([C@@H](Br)c2scc(Br)c2Br)cc1Br 705409657 NNVWSZCOSBHXIF-SECBINFHSA-N 509.908 6.890 50 10 KKGE CCc1ccc(CC)c([C@H](Br)c2ccc(I)c(Br)c2)c1 721572114 KFCSBEATMYPDOU-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(F)c2I)cc1Br 721689852 BBHCYYUOFVKIAK-CYBMUJFWSA-N 518.389 6.592 50 10 KKGE O=C(Nc1ccc2cccnc2c1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237591 KTUWOKIKGPONEL-QFIPXVFZSA-N 503.933 6.267 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1Cl 725433670 LMQULFHRVAOHJM-MHZLTWQESA-N 537.056 6.019 50 10 KKGE C=C(c1ccccc1)c1ccc(/C(=C2/N=C(C(c3ccccc3)=c3ccc(=C(C4=NCC(C#N)=C4C#N)c4ccccc4)[nH]3)C(C#N)=C2C#N)c2ccccc2)[nH]1 1081824424 PDZCYRHHZLACTR-SEADMKEUSA-N 730.835 7.859 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc(Br)c1OCc1ccccc1C 1083880283 NKBZYAUYKRUSPT-UHFFFAOYSA-N 606.542 6.742 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084000387 DTYUOXWPXIIATD-DEOSSOPVSA-N 551.437 5.449 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 1084025355 USODZZHFVKPUFW-VWLOTQADSA-N 600.466 5.698 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 1084110685 GXHWSRRTMXSNFV-UHFFFAOYSA-N 550.571 5.191 50 10 KKGE CC(=NNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(Br)cc1 1084171260 VWWFSOFXMROHGB-UHFFFAOYSA-N 528.472 5.186 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2c(c1)OCO2 1084220075 NNCKAZYOXPDLAZ-SANMLTNESA-N 516.594 5.085 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Br)cc1 1084358124 CITQZAMJQYVKRS-UHFFFAOYSA-N 684.122 6.914 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2Br)cc1 1084412398 AERIAXNAUGWVEN-UHFFFAOYSA-N 633.340 6.717 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084424436 QNHJQHVJNNCIAV-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccc(C)cc2)cc1Br 1084529777 OXUIJWVNXMFDBC-UHFFFAOYSA-N 678.436 6.826 50 10 KKGE CSc1sc(SC)c(C=NNC(=O)c2ccccc2Nc2cccc(C)c2C)c1C=NNC(=O)c1ccccc1Nc1cccc(C)c1C 1084600469 HARQDDPIQVMYSU-UHFFFAOYSA-N 706.963 9.441 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)cc1OC 1772755453 IGIKDJHDJPUPLO-UHFFFAOYSA-N 528.241 5.271 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OCC 1865687476 RYOZBSLUFJSJST-JOCHJYFZSA-N 512.532 5.995 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OCC 1865687813 AXRHLZXGNIRMBG-XMMPIXPASA-N 537.458 5.993 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688389 QXPFYPUIKXARIN-VWLOTQADSA-N 571.475 6.300 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)c1 1865693484 JYIDTXKLGKPFPN-GOSISDBHSA-N 519.321 5.661 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865695608 QQTQFVZZXLBKAR-HKBQPEDESA-N 572.640 6.852 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865702564 WTQVEQIZQSFBHK-GDLZYMKVSA-N 511.629 6.757 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703167 OUXHLUIPUKWBIE-MHZLTWQESA-N 541.051 6.665 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704348 UAMNMSANIPDGND-RUZDIDTESA-N 517.416 6.539 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705410 VEAFCUNGLUUART-GDLZYMKVSA-N 538.607 6.344 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866701487 NMQCLLXCKRMUGB-IZLXSDGUSA-N 522.630 5.053 50 10 KKGE CCOc1ccc([C@@H](CC(=O)N[C@H](C)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867208470 BOXLLPZKKOSZKC-CJAUYULYSA-N 508.043 5.977 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@@H]3c3ccccc3)OCO5)nc(-c3ccc(F)cc3)n2)cc1 1868456304 NIMFPZIWUJWLIL-YTTGMZPUSA-N 573.653 7.480 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1OC 1872749856 KPOPNAZLKFJROV-MHAPCUCXSA-N 507.587 5.159 50 10 KKGE CC(C)Oc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)\c2ccccc2)cc1 1872751194 WAXKWNPZEMBTKY-WBOVGWPMSA-N 520.698 8.928 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ncsc1Br 1899864098 QKYCGAGCGUPDOV-OAHLLOKOSA-N 518.068 6.731 50 10 KKGE Clc1ccc(CN(Cc2ccccc2)C2(CBr)CCC2)cc1I 1900397118 KYUGPVOCABMECA-UHFFFAOYSA-N 504.637 6.264 50 10 KKGE Fc1cc(Br)c2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1 1912652274 IOYJXRMJDWCUBG-UHFFFAOYSA-N 528.853 6.148 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(Br)cc1CBr 1941555526 DCGRBQUVXFAKDM-UHFFFAOYSA-N 581.815 5.047 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)sn1 1983290631 KTMMVYZXYIJPLC-YFKPBYRVSA-N 531.314 6.630 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012775 RPSDMMBNHUZTKP-QIRSHLFCSA-N 602.536 9.320 50 10 KKGE Cc1ccc(C=C2CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)cc1 2053624401 IFWXKCVCZAMUQB-UHFFFAOYSA-N 540.623 6.077 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cccc(C)c1I 2137641038 BSQFECTZFAHCFH-CQSZACIVSA-N 514.426 6.808 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1C 2138874273 UVZBLADCBRIJSQ-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC[C@@H]2CCOC2)c1Br 2141470173 YZLWLSUJHPHOJB-SFYZADRCSA-N 584.766 6.989 50 10 KKGE CC(C)C(C(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470686 JRBVQRBAISBHMD-CQSZACIVSA-N 584.810 8.101 50 10 KKGE CCC[C@@H](C(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473260 NARJNNWCLGBXPG-QPUJVOFHSA-N 584.810 8.245 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CCOCC2 2206393879 BZMFWIUOELLNTG-CPFSXVBKSA-N 552.326 6.833 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1(F)F 2206397440 JIINGEZZTBINFE-RYUDHWBXSA-N 604.747 7.998 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)Cc1ccccc1I 2218811584 ZOZGEZDDGAWWSR-LLVKDONJSA-N 500.037 6.411 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)c(Cl)c1Cl 2224304524 KFYPAXZCHOJQFY-NSHDSACASA-N 555.262 7.498 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2225618431 XGJJIGWHIBUBLJ-ZDUSSCGKSA-N 580.709 7.360 50 10 KKGE C[C@@H](COCc1ccccc1)Cn1c([C@@H](C)Cl)nc2cc(Br)c(Br)cc21 2225687996 SLYGNTZBBFJJGU-ZIAGYGMSSA-N 500.662 6.714 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccccc2I)c(F)c1Br 2227804544 DNYYKXCRTPAIBM-NSHDSACASA-N 505.897 5.955 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1 2240994772 BZDNAKALJNWRGL-GFCCVEGCSA-N 536.379 6.778 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263524003 DWRVVDPWURCZCR-SNVBAGLBSA-N 501.842 5.386 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3scnc3c2)c1Br 2278619435 RLCHMQYPMKFKNJ-SECBINFHSA-N 546.929 7.130 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)c(C)c1F 2279145689 AXTSOCFVQIUZHZ-AWEZNQCLSA-N 576.867 7.056 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(F)cccc2I)c(C)c1Br 2282889496 VGWXTIBVAVWBNG-OAHLLOKOSA-N 532.416 6.900 50 10 KKGE Fc1ccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(I)c1 2288352201 FVQXKBDFEGWRGP-LBPRGKRZSA-N 540.342 6.562 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1 2294619973 WCWYOBMBUHTPQS-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 2295148781 WRUFOXMXKOKLQP-UHFFFAOYSA-N 612.042 5.455 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1F 2295838604 MQMJFRCZAQZPTN-UHFFFAOYSA-N 515.610 6.504 50 10 KKGE N#CC(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2295945906 SLRLGDUPODJGFF-UHFFFAOYSA-N 509.974 6.777 50 10 KKGE Cc1ccc(S(=O)(=O)N=C2C(Cl)=C(Cl)C(=NS(=O)(=O)c3ccc(C)cc3)[C@H](Cl)[C@H]2Cl)cc1 2297733566 KJVBAWAOJCRNGK-NVXWUHKLSA-N 554.304 5.181 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1sc(Cl)cc1I 2301084516 URUNZLWJRGSWIL-JTQLQIEISA-N 510.391 6.392 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1c(Cl)cccc1Cl 2313728179 YVIPKELXTYDNAJ-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(C(C)C)cc1 2314591744 CPMJODQWFJAYLB-SANMLTNESA-N 515.610 6.023 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C(C)=C(C#N)C1=O 2314611455 ULAQYFKTZRSRMB-UHFFFAOYSA-N 554.666 7.030 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314617117 QZEUGULNILWIIP-UHFFFAOYSA-N 590.683 6.953 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314617680 RIOZJPZLHSQTGY-UHFFFAOYSA-N 532.575 5.870 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 2314617758 AEXZDDGELXAYFX-QHCPKHFHSA-N 591.693 5.143 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314618855 VPXZEUGICBAKKL-UHFFFAOYSA-N 518.573 5.712 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(F)c2)sc(C)c1-c1ccc(Br)cc1 2329674091 URENMSZFGFKXFH-UHFFFAOYSA-N 513.388 6.348 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4)cs3)CC2=O)cc1 2331259287 LKWNMBMFPZGUFR-IBGZPJMESA-N 503.580 5.150 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331402312 NINQNQSHOKUWKI-INIZCTEOSA-N 502.042 5.736 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 2331473274 LZXFBYMLNNQOHU-UHFFFAOYSA-N 515.429 6.451 50 10 KKGE Clc1ccc(I)cc1CC(CBr)(CBr)C1CCCC1 2352444891 XOCWYXQVJKWXGE-UHFFFAOYSA-N 520.474 6.454 50 10 KKGE Fc1ccc2cc([C@H](Br)c3ccc(OCc4ccccc4)cc3Br)sc2c1 2361168479 LRBKNYPUYVZTLY-JOCHJYFZSA-N 506.234 7.866 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2365185520 YDEKSXBOOYFRSO-NRFANRHFSA-N 510.653 7.436 50 10 KKGE Fc1cc(Br)cc(OCc2cc(I)ccc2Cl)c1CBr 2380353001 GEAAYTLMVXOUFY-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE Cc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 6177814 WJXSBGAMFBVWHX-VTNSRFBWSA-N 520.511 6.381 50 10 KKGE COc1cc(OC)c(OC)cc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 16712326 IYCZMOIUGTTZGJ-UHFFFAOYSA-N 525.030 5.006 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38687574 FWGJRMCZIYNXPS-NDEPHWFRSA-N 522.601 6.974 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)oc2ccc(Cl)cc12 38688550 XFBQBUQKHLLCJG-MHZLTWQESA-N 506.945 6.985 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 38700897 VMPKRWBINILKPI-SANMLTNESA-N 508.530 5.582 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813691 REAJVNCFOBXOFQ-VUTHCHCSSA-N 504.801 6.579 50 10 KKGE COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(Br)cc2F)cc1 97914310 DWCVTMPYEKRNFY-QFIPXVFZSA-N 511.819 5.359 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 100237034 KLEGUHOCBXDSSF-PNODBXBWSA-N 545.419 5.664 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2c(=O)[nH]1 100920347 RUCYSTHDYIXUNL-HKOYGPOVSA-N 539.570 6.558 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101340414 CABGQOAPEXUSPD-UXHLAJHPSA-N 538.582 6.624 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379130 SJUOBGOPSSPYFR-PIBJUREXSA-N 591.107 8.053 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380234 OFEHTTHEMIPACO-HKBQPEDESA-N 552.558 5.616 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383678 CHIMQCOHEMXGJY-WFNLQYPOSA-N 552.989 6.895 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387524 PGMYAPOIQJWHHC-HHHXNRCGSA-N 579.461 7.080 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(F)cc1 101389452 NXSVXHQWFGLMST-SSEXGKCCSA-N 581.556 6.149 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101395201 IUZWLFKNBJEXNE-SANMLTNESA-N 561.059 7.180 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 103649669 RIFHQJHSZDVSRH-MOSHPQCFSA-N 514.478 7.545 50 10 KKGE CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 103880431 RFBZDRINKMHGKV-FDAWAROLSA-N 560.448 5.921 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 103880774 IQTOMHOZDAGFAU-JRZNSJKLSA-N 613.714 7.652 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1 104041639 SZMXIUSGIXCJJW-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 104768160 LBAZBXJOKLSYPN-NDZAJKAJSA-N 538.504 6.382 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)cc(Br)c1OCc1ccc(Cl)cc1Cl 105509699 KWBVPGOKSPTIQO-MKACEPPISA-N 554.312 7.010 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(I)cc2)c2ccccc12 127473239 GQVRVXCXSYPDEO-QGZVFWFLSA-N 501.987 6.691 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150463648 LWYFHNWCFITPST-YKQTVREQSA-N 660.752 5.338 50 10 KKGE C=C(CCO[Si](C)(C)C(C)(C)C)CCC(=O)N(CCc1cn(Cc2ccccc2)c2ccccc12)c1nnc(C(=O)OC)o1 198024066 QJPGIQBFJVTZOM-UHFFFAOYSA-N 616.835 7.183 50 10 KKGE C/C(=C\C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)C[C@@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccccc1 204662262 YKXYTSHOAIXBSR-DDDLKGJUSA-N 692.193 10.862 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206679956 QUOBVQNBSQQXGR-QRWQTSMQSA-N 558.631 6.098 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCCC)cc2OC)cc1OC 207091651 WJRNJLIIJBUVLB-ICJAMGLRSA-N 520.626 5.715 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 214398257 XFJUCQJHNRVQSS-YSMPRRRNSA-N 508.574 5.384 50 10 KKGE C1=C[C@H](c2cccc3ccccc23)N(p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c2c1cccc2P(c1ccccc1)c1ccccc1 224610086 XGSMFCXLINRSFF-WBVITSLISA-N 755.794 13.546 50 10 KKGE C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 229711127 QSIKETLMFYAUIR-HSBBDMOBSA-N 639.709 6.296 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)cc1OC 234922887 DYZFDPNEPDUMKT-GFCCVEGCSA-N 549.904 6.537 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cccc(Br)c1 252622000 NMEBKPHKGFZTOL-UHFFFAOYSA-N 599.326 8.100 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)cc2OC)cc1 254399259 SJSOMEMNPATBRF-UHFFFAOYSA-N 510.546 5.119 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019920 MSLDSYOMFXXMDZ-GPTMDZJOSA-N 960.028 10.536 50 10 KKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 263628688 FCXUCKNNWFKCEE-UHFFFAOYSA-N 508.192 5.828 50 10 KKGE COC(=O)[C@@]1(CCOCc2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccccc1 688654318 OCCPPDNJVIHZIF-VAVYLYDRSA-N 527.734 5.938 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083805110 YUZLCBDCWPRCMA-AZLQSNHZSA-N 620.771 6.056 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Br)cc1 1083925395 JNAYOICNUBNAEE-WQRHYEAKSA-N 637.699 7.230 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccc(Br)cc1 1083988507 SJIFCMOPURGQLC-UHFFFAOYSA-N 658.128 6.558 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc2ccccc12 1084061272 JVBCGGWYULSORL-UHFFFAOYSA-N 601.084 5.566 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1ccco1 1084138194 KQGWXCYHGNDWBC-UHFFFAOYSA-N 656.702 5.437 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(Br)s1 1084156237 UGBJJBVABUXLEX-UHFFFAOYSA-N 547.066 5.718 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1084252925 QEQVPRLITMKYAF-UHFFFAOYSA-N 614.702 7.831 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1 1084286236 YQKNJKJMNJKRPP-LPYMAVHISA-N 596.308 8.432 50 10 KKGE Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 1084321696 UDKWIYKQZAEHLT-UHFFFAOYSA-N 509.591 5.516 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1084408221 COOSNRFYCHCFPB-UHFFFAOYSA-N 517.589 6.532 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084429649 MJSNCDJFQDENDK-UHFFFAOYSA-N 549.096 5.131 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1084583812 UTENJQPDECWSDT-UHFFFAOYSA-N 603.701 5.282 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1 1084611894 XVFJKHOUKMTBTP-UHFFFAOYSA-N 644.569 8.720 50 10 KKGE CCCCCCCCCCO[C@@H](C)OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1615217309 OULINSDDQYDNDM-SSEXGKCCSA-N 505.703 7.891 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745918 KRVIPRKHRLCKCT-UHFFFAOYSA-N 500.433 5.238 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1OC 1772754091 ONPKZEOJKTZEBR-UHFFFAOYSA-N 548.231 5.425 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772755255 XNUHLUZTWCKSHB-UHFFFAOYSA-N 538.492 6.394 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683000 CQNLZKSZAVEUIM-JOCHJYFZSA-N 533.813 6.182 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1865684229 NTHCCRJFKHQSKT-QFIPXVFZSA-N 517.814 6.232 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689847 XPRGNSMIELADLV-SANMLTNESA-N 520.976 6.278 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865690835 CGQXULZMDRZCIP-VWLOTQADSA-N 565.512 6.773 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)cc1OC 1865692064 IOYAVDNVQOYORD-JOCHJYFZSA-N 524.419 5.134 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704219 QJYJTOGWPWSIDH-LJAQVGFWSA-N 519.004 6.785 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 1865711161 RAGJIRWENBBUTI-MRXNPFEDSA-N 533.259 6.494 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711839 IYPNISVYPYTGCC-YTTGMZPUSA-N 575.068 7.210 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866668799 DNLKQRQNLCMOMJ-VWLOTQADSA-N 549.027 5.924 50 10 KKGE Cn1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1-c1cc(F)ccc1F 1867104215 UYMQLKZEVBQYCM-RUZDIDTESA-N 563.655 5.609 50 10 KKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872744754 GXRVGUKKEVSUFU-QUPCICMCSA-N 512.418 6.620 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872753424 WLDBRHAPWBURML-DAFNUICNSA-N 503.543 5.432 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872791661 PWQIMJBPKMSXGC-FRKPEAEDSA-N 504.247 7.228 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2F)c1Br 1922898077 SCSOXXBERXRXJW-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1cccc([C@H](Cl)c2sc(Br)c(C)c2Br)c1I 1922945632 IFQWCYUQAXPWOS-JTQLQIEISA-N 520.455 6.823 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c(F)c1F 1924570346 IKNFAHIPITUBGF-YFKPBYRVSA-N 561.812 7.076 50 10 KKGE CCOc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924596016 HXAWJLOGFFHJTF-JTQLQIEISA-N 533.905 6.919 50 10 KKGE Fc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1F 1924599369 GMCCKZRQDRCXBD-ZCFIWIBFSA-N 539.859 6.993 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccccc1OCc1ccccc1 1925594700 PDTJSTNVSVPTGZ-OAHLLOKOSA-N 507.074 7.881 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Cl)cc2Br)c1I 1948823725 QPZLSNJVCCDYPK-SNVBAGLBSA-N 506.428 6.561 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)sn2)c1Br 2024289837 MLVYYYMCRXENPM-NSHDSACASA-N 504.867 6.223 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2sc(Br)cc2Br)cc1Br 2048496636 JEPSSLMKRWVTMJ-LLVKDONJSA-N 538.324 7.482 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2054662004 XAIQBZNFPUNWMQ-OCYSJITESA-N 769.972 6.801 50 10 KKGE Cl[C@H](Cc1ccc(Br)cc1)c1ccc(Br)cc1I 2086146403 ZEVKZLAQGHCCOL-CYBMUJFWSA-N 500.399 6.339 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)cc1Cl 2139425021 AIBIECMSWKTVJL-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(C)o1 2141477464 QOARNYNDVZNQOR-CYBMUJFWSA-N 536.283 7.275 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@@H](CBr)C(C)(C)C)c1cccc(Br)c1 2163058732 NKEGHIBJEAIJTG-MRXNPFEDSA-N 506.323 6.228 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 2202904175 OBWRYCCRFJQITK-CQSZACIVSA-N 534.388 6.339 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(I)ccc1Br 2203003089 QNBPZMCTNBVFJH-CYBMUJFWSA-N 595.294 6.963 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@H]1C(F)(F)F 2206396346 VXTGBAQMPXMHDN-DADVEIPYSA-N 564.259 7.605 50 10 KKGE Cc1ccc(F)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398329 UDXNEBRSDACFHB-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cc3c(s2)CCC3)c1Br 2206398556 WICONGSUCMRFBO-CQSZACIVSA-N 608.813 7.771 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Br)cc1 2218598681 VAYQKZHQDRSMIN-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Br)c(Cl)c1 2225615742 LAXLNBZEXFARRO-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Brc1cc([C@H](Br)c2ccc([C@@H]3CCOC3)s2)ccc1I 2240435285 YRCYOFWTKCGFJE-BMIGLBTASA-N 528.047 6.103 50 10 KKGE COc1c([C@@H](Br)c2csc(I)c2)cc(Br)c2c1CCC2 2284594629 MDCWHSLZGSKJPB-AWEZNQCLSA-N 528.047 6.097 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Br 2295178753 WPNKJVBTCWOTQL-UHFFFAOYSA-N 633.960 7.156 50 10 KKGE CCOc1ccc(O)c(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)c1 2297321154 LHLOORCSBSZQDY-UHFFFAOYSA-N 535.044 5.212 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2297458533 HOVCOOOTDHCZQZ-RUZDIDTESA-N 502.039 5.434 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 2297458673 RNZWEIKYBFWLKG-VWLOTQADSA-N 502.039 5.434 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(C)=O)c1C 2297467021 MSTANWGPLYRODA-UHFFFAOYSA-N 516.442 6.298 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1)C(=O)Nc1ccccc1 2313541437 IAWUWUKDCGZDOX-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1 2313567911 PNRXPSPVLXSGKV-UHFFFAOYSA-N 672.361 6.287 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCCn1ccnc1 2314414873 PJMTXRAVJYYZMF-UHFFFAOYSA-N 546.606 5.567 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1 2314414966 SMRWXYXZOKZNAZ-UHFFFAOYSA-N 528.015 7.712 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594107 ZDKXLIJDCZAKCF-HRFSGMKKSA-N 530.093 6.767 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314611689 ZBZAAKJCVNDKTD-JOCHJYFZSA-N 583.714 5.105 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 2314617501 ZIKLBKZHNRDQTJ-UHFFFAOYSA-N 528.612 5.957 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314620541 QERGDRQGDLSNIY-UHFFFAOYSA-N 536.628 5.816 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)c1 2314634820 PXQGULNPZJSMPL-SSEXGKCCSA-N 510.590 6.101 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)cc1 2314646568 CXMPBBABWXNUIB-MGBGTMOVSA-N 710.812 6.352 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C(C)C)cc4)csc3n2)cc(Br)c1O 2320487656 OLHMFSVDQRCNRI-UHFFFAOYSA-N 587.521 5.906 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331390410 IQAAZFPURNALIR-UHFFFAOYSA-N 508.814 6.310 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1OC 2331443654 CFZDWJVVRIFVRV-UHFFFAOYSA-N 503.668 6.527 50 10 KKGE Fc1ccc(C(CBr)(CBr)Cc2sccc2I)cc1 2338755567 RAUOUYFJQJHPIY-UHFFFAOYSA-N 518.027 5.762 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360409953 YGNOIYQEVJQFMM-LLVKDONJSA-N 512.346 6.967 50 10 KKGE Fc1cc(Br)cc(CBr)c1OCc1ccc(Cl)c(I)c1 2362427484 KIYWBOQXTXEOAJ-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)c(Br)nn2C)c(Br)c1Cl 2364237510 VGJLAMSCYUKJIE-VIFPVBQESA-N 507.835 5.698 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cn1nc(C)c(Br)c1C 2946014 XHNNUZMPVCMLKO-VTNSRFBWSA-N 568.475 6.298 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCCC(C)C 38660351 QXSYGELEOFZDLT-HHHXNRCGSA-N 502.542 5.697 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCCCCCC)cc2)cc1 100154563 XIZZPAPYUMCRRV-UHFFFAOYSA-N 513.704 5.944 50 10 KKGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 100317550 BGMANTAYMJXCKR-WKIKZPBSSA-N 547.789 5.111 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccco3)c2)C1 101014112 KGVRIJLZZDAGJT-FZXKNJBPSA-N 569.687 5.022 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101336135 XZHRLYRFENNMOF-MWAVMZGNSA-N 627.767 5.121 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 101367443 WRSVUFVNPSVHOK-QJWGWKRISA-N 566.585 6.004 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 101377808 ZGRWAVFJFCKHFB-NDEPHWFRSA-N 551.470 7.780 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382138 YOYOGHPXZYADNI-JGCGQSQUSA-N 548.595 5.785 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc([N+](=O)[O-])cc5)ccc43)c2)cc1 101382161 XQJTVXHWRIHAEJ-HKBQPEDESA-N 563.566 5.685 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382812 UDTATKZZMMHUBI-HKBQPEDESA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384613 RVLLXFFRHHQWJA-NDEPHWFRSA-N 577.851 7.663 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101387736 RYJBHXIWVJJLKQ-LSYFYCNPSA-N 558.634 6.810 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1 101395168 CIYLDCHBJLPUDU-XMMPIXPASA-N 559.372 5.728 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 101479301 GULDUFBDVFZAAB-UHFFFAOYSA-N 543.669 6.943 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1 101906045 WCWYOBMBUHTPQS-MFOYZWKCSA-N 532.221 6.889 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 102665826 BVAKQILYKFWWLP-SCIJIFGBSA-N 538.854 6.167 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 103880316 IUUFGWAMCUZJMN-MZJWZYIUSA-N 585.354 5.687 50 10 KKGE CC(C)(C)C(=O)[C@@H](Br)Cc1c(Br)cc(Br)cc1Br 110163205 KJGFCPGRXYQRRI-NSHDSACASA-N 505.870 5.895 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccco3)c2)C1 110558737 KGVRIJLZZDAGJT-MJHYYKIYSA-N 569.687 5.022 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCCC(C)C 150422781 AVADATVFJDDYMD-PMERELPUSA-N 631.523 7.765 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc4ccccc34)c(I)c2)cc1 150429495 JIACZTCHEARAMA-KVSGHJDXSA-N 687.372 7.149 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 164214423 CEBCBNTTZBHJAH-UXHLAJHPSA-N 643.405 6.306 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(=C/c1ccccc1)c1ccccc1 206396263 FHLNQSYHGNXELJ-XINFVKEFSA-N 514.581 6.065 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214365460 KPSJKBCOJDUNSO-RGXNXFOYSA-N 586.667 7.182 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214374736 QPURZCBHWMXXCX-QQXSKIMKSA-N 570.617 5.656 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Br)cc1F 230275301 FDAJMXZAISUJKP-LNHNDHHWSA-N 530.265 6.250 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Cl)ccc2I)sc1Br 235863263 GBYSDYQGWJACSD-NSHDSACASA-N 506.428 6.561 50 10 KKGE Clc1sc([C@H](Cl)c2cc(I)ccc2Br)cc1Br 236030267 ICPRFXJRXUZWGU-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 252608797 HNDGBTCVHOQLMI-UHFFFAOYSA-N 518.038 5.743 50 10 KKGE C/C(C=NNC(=O)CNc1ccc2ccccc2c1)=C\c1ccc(/C=C(\C)C=NNC(=O)CNc2ccc3ccccc3c2)cc1 254344393 WVJVLISWSYZUSQ-JGXMBWFNSA-N 608.746 7.228 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)cc1 254396394 NCJWTWQEYLYCLC-UHFFFAOYSA-N 509.647 5.402 50 10 KKGE C/C(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=C\c1ccccc1 254482176 CWHGJDQEJVCBBH-RAVHQRGLSA-N 509.679 6.529 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2OC)cc1 254486394 XIBOAJPAWSRGDS-UHFFFAOYSA-N 526.589 5.776 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OCCc1ccccc1 254526608 BQZCMHPJJJGZKX-UHFFFAOYSA-N 552.656 5.214 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1 254702076 PTRNHLXWLNZFQU-UHFFFAOYSA-N 504.602 6.288 50 10 KKGE O=C(CCCCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1 254710278 ADZNFWFYOGWXCZ-UHFFFAOYSA-N 618.690 6.066 50 10 KKGE O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 254761210 UFPOOMGDBSJJJX-UHFFFAOYSA-N 537.563 6.922 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 254764503 FGLZPDYRHALPKE-UHFFFAOYSA-N 559.755 6.815 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254813537 RGQJMFANOAYACC-UHFFFAOYSA-N 564.736 6.544 50 10 KKGE C/C(C=NNC(=O)CNc1ccc(C)cc1)=C\c1ccc(/C=C(\C)C=NNC(=O)CNc2ccc(C)cc2)cc1 254877634 YOJAOIFOIXVWSI-VLNNUAAISA-N 536.680 5.538 50 10 KKGE Br[C@H]1C=C[C@@H](Br)[C@@H](Br)C=C[C@@H](Br)[C@@H](Br)C=C[C@H]1Br 267326246 HVIIZEINTLSKNX-KUDAMMAASA-N 635.652 6.250 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1cc(I)cc2c1OCC2 312386634 SFBVMIKYJRVBSJ-CYBMUJFWSA-N 511.954 5.612 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@H](O)[C@H]1O 575232441 QYWAENWZQGVWKH-JZKNULPRSA-N 691.460 7.202 50 10 KKGE in-vitro Fc1cccc([C@H](Br)c2csc3c(Br)cccc23)c1I 721704838 KZRVVBSNPHOZLY-ZDUSSCGKSA-N 526.006 6.892 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084018953 FWOJYVXEQBGHID-RUZDIDTESA-N 541.873 6.374 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084022880 MNPWBUPPOIUBDY-UHFFFAOYSA-N 562.203 6.574 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2ccc(C)cc2)cc1 1084128125 ZKYIYRDVHMYFNT-UHFFFAOYSA-N 581.163 6.123 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1 1084321029 UTLRFBRQRBVYOD-UHFFFAOYSA-N 546.190 6.440 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccccc3Cl)c2C)c(C)c1 1084348424 ZDKGWCNXPHRGRY-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4c(Br)cc(Br)c5cccnc45)c3C)sc3c2CCCC3)cc1 1084355511 SSSUDGREZVCMAG-UHFFFAOYSA-N 749.529 8.197 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084593725 GVYFFXOEKQZKIJ-KOEQRZSOSA-N 562.497 6.565 50 10 KKGE C=C(C)[C@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 1565536205 PKAPKLCGHVIAEA-JRICCNFFSA-N 598.869 6.889 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772754804 WACKSFQUAMJIOJ-UHFFFAOYSA-N 549.852 6.878 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1C 1772755014 GSDGSFPEJSHCQL-UHFFFAOYSA-N 596.572 7.101 50 10 KKGE CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1848440254 REAIXLIMKILMDP-WTPBJFRRSA-N 685.031 8.590 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665482 MPDRBMWFDJELIO-UYBYAGATSA-N 742.806 13.221 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688107 JOHLTPFSAMJVEK-NDEPHWFRSA-N 506.606 5.342 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1OCC 1865689145 LEYHMUZQWLCHEA-SSEXGKCCSA-N 558.638 6.717 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865690035 ZMNSCROGVXVUNQ-QFIPXVFZSA-N 563.839 5.947 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccccn3)cc2)cc1 1865692401 FKLZJCFRRXEOMC-NDEPHWFRSA-N 511.585 6.040 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704259 RJQRMMKZBFSLKF-SANMLTNESA-N 551.861 6.997 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1ccc(Cl)cc1Cl 1865704512 XRRODEHUWQLHLG-GOSISDBHSA-N 525.314 5.551 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 1865704697 CDDLDGWYMRNMAK-SANMLTNESA-N 561.425 5.993 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705014 KCTFECJTRBISGZ-RUZDIDTESA-N 531.399 5.984 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711580 BSSIIJOSXLGCIY-AREMUKBSSA-N 517.416 6.344 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3ccccc3Cl)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866664169 AHURJXIYCYNMMM-MHZLTWQESA-N 589.073 5.711 50 10 KKGE Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866829964 RDAAWQOZYSILBA-VWLOTQADSA-N 509.635 5.257 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@H]3C(C)C)n2)cc1 1868528153 OCENTGPURPOKON-HHHXNRCGSA-N 511.655 6.342 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OC)c(OCc4ccc(Cl)cc4)c3)nc2c1 1872728853 XWJQCTAAJWXVKZ-YBFXNURJSA-N 501.926 5.427 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(\O)c2cc(OC)c(OC)c(OC)c2Br)n1 1872747043 LHOPSCKDGOLKJL-RGEXLXHISA-N 503.374 5.557 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)\c2ccccc2)cc1 1872757906 BQPIINMQTTYOSR-MDISCOTOSA-N 519.453 8.549 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 1872758151 NINQNQSHOKUWKI-BAACNHRGSA-N 502.042 5.736 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](Br)[C@@H](OCc2cc(Br)cc(Br)c2)C1 1900366988 KTTFLVPSIFBCEV-KBPBESRZSA-N 514.052 5.111 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)C1C2CC3CC(C2)CC1C3 1923071345 IIKAUFYJIZDXFV-ZQOQPLRDSA-N 503.525 7.435 50 10 KKGE CC1(C)C([C@@H](Br)c2c(Br)sc(Br)c2Br)C1(C)C 1924584522 YUPBTIAEPXYNSW-LURJTMIESA-N 509.927 7.154 50 10 KKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924609425 XMLWWUQEPVXSLF-SSDOTTSWSA-N 533.896 7.543 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 1924616272 NCKUKYKAVKQTTF-LKHWLPBLSA-N 523.910 6.287 50 10 KKGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984587565 YGEIUKOHXRUEJY-FONMRSAGSA-N 509.805 6.670 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 2030217346 DGEHSYCRYSMVJB-ZDUSSCGKSA-N 517.906 7.082 50 10 KKGE COc1c(C)cc(P(C2=CC=C[CH-]/C2=C2\C=CC=C2[C@H](C)P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)c(OC)c(C)c2)cc1C 2037716171 YQKFUORFIOVRAF-PRGNMVEZSA-N 925.751 13.418 50 10 KKGE N#CC(=Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(OC(F)F)cc3)cc2)cc1 2053621898 CUTZNQMGPARVGW-UHFFFAOYSA-N 690.631 6.814 50 10 KKGE C[C@@H]1CCO[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495051 OYMDMLFQJKXHFK-VVEMVBODSA-N 570.739 6.598 50 10 KKGE Cc1cc(C)cc(P(C2=C(c3c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c3OCO4)C3=C([CH-][CH-]2)OCO3)c2cc(C)cc(C)c2)c1 2086903972 ULGJYXAUYIDCLI-UHFFFAOYSA-N 722.802 9.123 50 10 KKGE C[C@@H]1CCC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468358 JIVLCYNOOJLEEP-CYVIZDSUSA-N 538.343 7.843 50 10 KKGE C[C@]1(C2CC2)CN(c2c(CBr)ccc(Br)c2Cl)CCN1Cc1ccccc1 2154374461 XCVAQLNXLUHCJH-JOCHJYFZSA-N 512.717 6.488 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(Cc1ccccc1)C1CCCCC1 2179835873 YCSAJACIRCORFA-UHFFFAOYSA-N 519.274 6.007 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401605 YIGQTXMTPHRIPO-HSUXUTPPSA-N 608.710 7.761 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 2296033256 WJRUQBHMWPLNEI-HHHXNRCGSA-N 511.647 6.103 50 10 KKGE COc1ccc(C=C(C#N)C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 2297489375 KOHDIFMKHXSXMA-HSZRJFAPSA-N 536.338 5.196 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2cccc(Br)c2Br)s1 2300955803 QMHUBYRWRDEWHS-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC 2313571575 ZJQPMIMSPUGBGU-UHFFFAOYSA-N 531.177 5.941 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 2314634430 RSXRAEGEIFGTAK-SANMLTNESA-N 502.973 6.614 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643336 SKPAGJROMPSFMX-UMSFTDKQSA-N 609.078 7.163 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 2331051094 OGLDCEYSVJTHRL-UHFFFAOYSA-N 520.796 7.457 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)c(Br)c1 2331320586 IQEPBGVHUQNVMV-UHFFFAOYSA-N 501.421 7.234 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(Br)c1 2331341847 XWSAEFXHKGQBCS-UHFFFAOYSA-N 511.485 7.910 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(C)c4C)cs3)CC2=O)cc1 2331362235 LXVPECWYYZXWSE-IBGZPJMESA-N 517.607 5.458 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 2331396373 RXTWKYNGBNJICX-JOCHJYFZSA-N 513.707 7.387 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 2331398376 NFXKLUSSIMGKCA-HNNXBMFYSA-N 509.971 5.104 50 10 KKGE CC1(C)CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CCBr 2349826842 GFQBNOSJPPJLSK-LBPRGKRZSA-N 501.044 5.297 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CCOCC(F)(F)F)c1Br 2362252231 DPWZXUPLZGXWEU-YFKPBYRVSA-N 507.341 6.409 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 58890022 DJPOFTHBDPONAF-PVEGLGLCSA-N 511.416 5.309 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2F)cc1 59304887 SASDWGJEOKMGAV-KEIPNQJHSA-N 503.577 6.935 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2)cc1CSc1nc2ccccc2o1 100185161 JWOMIAOOQNBWBK-QMRORBIVSA-N 629.138 7.180 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 100233903 NGGMITABZXNUFO-SXFMOBQTSA-N 559.448 5.370 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 101022760 NGTADVUCBQTBCH-QYZZTEPHSA-N 536.557 7.607 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101244032 YZGUGUANYDKRPV-PZJRUVIDSA-N 576.516 6.151 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101337667 LOCCJQZVSNNREU-FHMVRKCGSA-N 584.720 7.626 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362346 NDLYBPSVHCYFEP-SSEXGKCCSA-N 583.438 6.231 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101370613 DIPDJGJEHZYFBE-JZMGTXFCSA-N 538.644 6.618 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 101375569 QBAFGDRQOOAAPT-LJAQVGFWSA-N 530.596 6.621 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386554 BCXWNBAUSWXGRH-LJAQVGFWSA-N 556.977 6.504 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(C)cc1 101387770 SOJNSEPCBVVTAA-XIFFEERXSA-N 622.674 6.436 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101389572 FGWSCWJNFHGABB-XIFFEERXSA-N 615.057 6.968 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 101395439 JFGHCZOROSAGBV-GDLZYMKVSA-N 617.496 7.519 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397840 CFGFPDRPOCUJCW-MUUNZHRXSA-N 583.040 7.710 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N(Cc5ccccc5)Cc5ccccc5)c(C)c43)coc2c1 101620216 PWHYBGTZUQBOBJ-SMTCOIIISA-N 573.693 7.193 50 10 KKGE CCCCCCCC1=NN2C(=N)/C(=C/c3ccc(OCCBr)c(OC)c3)C(=O)N=C2S1 102994791 HBQSZBWGZWPDKV-DVCMMGIKSA-N 507.454 5.449 50 10 KKGE COC(=O)[C@H](C(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110544804 KXHPXNLLQGXVTB-FIBWVYCGSA-O 614.917 5.755 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)c(Br)s2)sc1Br 128884068 IIZSUSQHLGMPDG-ZETCQYMHSA-N 530.326 7.235 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498118 KPLFHZPYEAIHIR-FIMPJCGCSA-N 675.767 5.481 50 10 KKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206688652 PQGJPQITMIROLO-VMKIQGLYSA-N 500.551 5.309 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@@H](C(=O)N1CCN[C@@H](C(C)C)C1)c1cccs1 207967427 YZSFEMUTPFHCSO-YIXXDRMTSA-N 526.102 5.618 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214219303 JLBMVPHSULWASM-CEUNXORHSA-N 528.612 6.121 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 214316266 OVCSWYMMBZDSJE-QQXSKIMKSA-N 520.614 6.037 50 10 KKGE O=C(CCCCBr)Nc1c(I)cc(I)cc1I 232466790 KVVMEBVARAOYRS-UHFFFAOYSA-N 633.831 5.004 50 10 KKGE C/C(=C\C(C)C)[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@@]21C 248181102 YRBTULYADOAUMR-LJCOPYCUSA-N 645.017 9.831 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N 252620691 MJWDMAULTMDSRQ-AHWVRZQESA-N 586.639 7.194 50 10 KKGE COc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 252627309 RRKURVGITQGDGB-UHFFFAOYSA-N 594.668 5.242 50 10 KKGE C[C@H](CI)[C@H]1CC[C@@H]2/C(=C/[C@@H]3CS(=O)(=O)[C@@H]4CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]34)CCC[C@@]21C 253387349 IDATXVLPBFLZRH-HAXWRAQHSA-N 620.754 7.804 50 10 KKGE COc1cccc(OCc2cccc(C(=O)NN=C(C)c3ccc(OCc4ccc(C(=O)O)o4)cc3)c2)c1 254387500 SOYOPOYDGFGVGT-UHFFFAOYSA-N 514.534 5.298 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(N3CCOCC3)cc2)c(C(C)(C)CC)c1 254512833 VRDMFQARPLHDRV-UHFFFAOYSA-N 507.719 6.208 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccccc2)cc(OC)c1OC 254555188 CIGUQYOKJIZQHX-UHFFFAOYSA-N 571.581 5.221 50 10 KKGE CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 254571222 UVSIWCPXEYCPOK-UHFFFAOYSA-N 501.995 6.432 50 10 KKGE C=C(C)Cn1c(CCn2c3ccccc3c3ccccc32)nnc1SCC(=O)NN=C(C)c1ccc(OCC)cc1 254709746 AVFZVFHDRFUAOA-UHFFFAOYSA-N 566.731 6.236 50 10 KKGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1Cl 256019191 OLLVUPWWFMNDQQ-OAUYIBNBSA-N 528.510 6.273 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 312407513 WJIAIDBCFRCWLA-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Fc1ccc(COc2c(Br)cc(Br)cc2CBr)c(Br)c1 312719866 HJNZGXZXLJTZBE-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(/N=C/N(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586805 RQXRLANMGPTUJP-CVWWXHJXSA-N 955.183 9.728 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccsc2Br)cc1Br 698693923 NVXDELNDAWAWIO-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1ccc(Oc2ccc(NC(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)cc2)cc1 725237629 LDSYJFBCNXAHPB-AREMUKBSSA-N 559.009 7.819 50 10 KKGE CC(C)(C)c1cccc(N(C(=O)CCl)[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)c2cccs2)c1 725238723 OUHPZHOEYLQBRV-SANMLTNESA-N 528.093 5.847 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)c(I)c2)cc1 1083998156 LLUQFKCHWQZGPJ-XMMPIXPASA-N 592.861 5.886 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Cl 1084115619 OESBQWWOWNANKW-YBFXNURJSA-N 558.803 6.386 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1 1084214015 HNUSNLMMLBRNET-UHFFFAOYSA-N 564.085 7.766 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccccc1Cl 1084222027 DNQNRMZKFWNCEW-LICLKQGHSA-N 579.221 6.731 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(I)cc1 1084330158 NBIMTPBFJBXWAA-LICLKQGHSA-N 719.144 7.726 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C)cc1 1084361509 KLXKYVMWIAVHNX-UHFFFAOYSA-N 633.280 6.850 50 10 KKGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1 1084410624 LUSAOWLZYOYLMA-UHFFFAOYSA-N 517.763 5.183 50 10 KKGE O=C(CNc1ccc(Br)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084431766 CMVYJRHEUUADGZ-UHFFFAOYSA-N 517.221 5.353 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 1084441606 QGNRBSPJFKKQLK-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)cc1C 1084457678 HDFNIWMRTRPODY-YTTGMZPUSA-N 536.701 6.249 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 1554498767 KCZRDQUBWKLNKP-WEPGHUSESA-N 554.650 6.525 50 10 KKGE CCCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1 1614616577 LFYZQVNKMSDPFP-VWNXMTODSA-N 521.439 6.433 50 10 KKGE CC1(C)[C@H](C(=O)O[C@@H]2Cc3cccc(-c4ccccc4)c3C2)[C@H]1[C@@H](Br)C(Cl)(Cl)Br 1615216045 DAAAPMWVNHNPEL-XFWGSAIBSA-N 561.141 6.926 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1772754916 VXQAHDJMMBEGQU-UHFFFAOYSA-N 606.984 7.990 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1772760303 AJZYLAZEDUWEIV-UHFFFAOYSA-N 530.389 5.605 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690202 LFAJXWBSXMLFKU-AREMUKBSSA-N 514.988 6.083 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865690220 LTMTUSFTDUTNGB-GDLZYMKVSA-N 512.613 7.090 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865691812 BPLYUJFBJJLSFU-JOCHJYFZSA-N 557.876 6.256 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865693573 PDOGOBCULFDBAB-RUZDIDTESA-N 524.577 5.182 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695279 NCQSRZSOCYCFLZ-GDLZYMKVSA-N 573.068 6.791 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701603 ZFOPITPVWJCHQZ-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)c(Cl)c1 1865703273 SALJWMKLVWXUOM-SFHVURJKSA-N 509.315 6.205 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703391 VAUAALYDGSPTMK-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)c1OCc1cccc(C)c1 1865705522 YFPDDBSJAFBCKV-AREMUKBSSA-N 557.448 6.057 50 10 KKGE CC(C)c1ccc([C@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866744810 XYLHHEFDCZNXHL-FQLXRVMXSA-N 529.706 6.585 50 10 KKGE C[C@@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579347 DEUBMQGSQIAJHP-WVZVXSGGSA-N 505.842 6.763 50 10 KKGE Clc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 1924593300 DLGGZORGUOZNDP-VIFPVBQESA-N 514.291 7.671 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C3CC4CC(C3)CC2C4)c1Br 1924599837 MGUJXBFKNAVJNH-MRGWJBNUSA-N 547.976 7.544 50 10 KKGE CC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924608407 HTWHPCCTBOKJRW-LURJTMIESA-N 517.853 6.907 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c(CCCBr)c1I 1951462988 AWUWAQGYHBACEB-UHFFFAOYSA-N 691.911 6.175 50 10 KKGE FC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995047479 HPFUSLISUAHLIV-SECBINFHSA-N 500.225 6.519 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1csc(I)c1 2085641805 HFSYJOKPIKGFPE-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE COC1CC2(C1)CC([C@H](Br)c1c(Br)sc(Br)c1Br)C2 2100346108 OFSVMXMYZWFAOE-RDTMWIIESA-N 537.937 6.677 50 10 KKGE FC1(F)CC2(CC([C@@H](Br)c3c(Br)sc(Br)c3Br)C2)C1 2102620780 VGEHDQVBURGZTA-SSDOTTSWSA-N 543.891 7.297 50 10 KKGE O=S(=O)(c1ccc(CBr)cc1Br)N(Cc1ccccc1)CC1CCCC1 2123268291 LFFGHUVOXYNLLG-UHFFFAOYSA-N 501.284 5.725 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2138852529 ODPBCIRKCPQIOF-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2141471179 OVESFDKRZIESBY-GOYYGHBYSA-N 534.311 6.919 50 10 KKGE CCc1nc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)s1 2169487443 GBMJGKJCTHFNDV-ZETCQYMHSA-N 514.024 6.795 50 10 KKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 2170610701 WHWYRMAPSBNSTB-BXUZGUMPSA-N 515.027 5.222 50 10 KKGE Clc1cc(Cl)cc(COc2c(Br)cc(CBr)cc2Br)c1 2197966515 NCAQNFKKUJDOJY-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1cccc(Br)c1Br 2203001677 IAMPXGRCGDQRJU-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE CCCCCCCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406140 VWLMLAWYTSXASW-LBPRGKRZSA-N 554.386 8.767 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1I 2217865303 UQJGVNWJCGBDQD-SECBINFHSA-N 540.873 7.168 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)s1 2221821261 YXSLVQJYOPMTML-NSHDSACASA-N 521.869 6.967 50 10 KKGE COc1c([C@H](Br)c2c(Br)sc(Br)c2Br)csc1C 2259053364 KZOJABINSFBNQF-ZETCQYMHSA-N 539.934 6.898 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)c(F)cc2Cl)c1Br 2270435632 YRFFNWLBFKSODQ-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1OCc1ccccc1 2272732586 ITKHNVVKEPTBBD-SFHVURJKSA-N 547.031 7.553 50 10 KKGE CCn1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)n1 2277954229 CVMJUKHRGKLDMW-LLVKDONJSA-N 515.869 5.869 50 10 KKGE C=CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C(=O)OCC)c1C 2296154665 SLUDDSOOYNKKEM-UHFFFAOYSA-N 524.580 5.584 50 10 KKGE N#CC(=Cc1ccc(OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2297368678 DBRBIETXUHQILF-UHFFFAOYSA-N 511.515 5.773 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Cl)cc2)cc1 2297458602 JQPUNENORBBQGP-HSZRJFAPSA-N 518.982 5.622 50 10 KKGE CCOc1cc(Br)c(C=NNC(=O)C(=Cc2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1OCC 2297460746 YMOXTBHFOXDDEK-UHFFFAOYSA-N 596.478 5.185 50 10 KKGE NC(=NNC=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=NNC=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2297730736 ANGLHAPWAPAINY-UHFFFAOYSA-N 690.772 5.641 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521542 VVQVQHSNXDSMJO-UHFFFAOYSA-N 512.303 5.851 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC2CCCCC2)cc1Cl 2314476815 WKQXVWVMOVEJJM-UHFFFAOYSA-N 503.046 6.727 50 10 KKGE Clc1cc(Cl)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314491818 SXJQPHJRAHZOOG-HXUWFJFHSA-N 501.045 7.819 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314493991 YVWAXHZWLOTSLF-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592331 RCKKVMLIEMRGQU-RUZDIDTESA-N 570.036 7.295 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592789 BUZOWZGJDPORHG-CRICUBBOSA-N 586.035 6.671 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314611094 QHRBESYPZFGGQT-UHFFFAOYSA-N 506.606 5.661 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314617670 QLRCVKGZNWRDID-UHFFFAOYSA-N 518.548 5.479 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314618133 HSZFTCTVIREAAV-UHFFFAOYSA-N 607.692 5.099 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 2314646617 FXYCWSNWFSYIIE-SSEXGKCCSA-N 640.721 5.618 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccccc2I)n1 2331351078 PHSHAXHKWWSBBF-UHFFFAOYSA-N 516.404 6.671 50 10 KKGE COCC(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]1CC[C@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)C=C(C)C=O)[C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)O1)OC 2333231312 IWYZQBWTMLODNQ-UVDFPUNWSA-N 958.240 6.653 50 10 KKGE FC(F)(CI)C(F)(F)CNCc1ccc(Br)cc1Br 2336537461 XCULUWARLUARNW-UHFFFAOYSA-N 518.912 5.007 50 10 KKGE Brc1cccc([C@H](Br)CCc2ccc(I)c(Br)c2)c1 2349837482 SEJIJDJBPWRAOB-CYBMUJFWSA-N 558.877 6.885 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C1(CBr)CC(C)(C)C1 2349842007 VUWACSZEPHPFCR-UHFFFAOYSA-N 501.044 5.439 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2O[C@H]3CC[C@H]2C3)c1Br 2352540049 WHTNTFOQVADFCP-BSYODDBESA-N 582.750 6.740 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2sccc2I)c1 2353040406 QMUWTSSVHKRIND-GFCCVEGCSA-N 516.036 6.171 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2364036646 JSLPKXSFYVCLAU-ZETCQYMHSA-N 619.146 6.747 50 10 KKGE Fc1ccc(C[C@H](CBr)Cc2ccc(I)c(Br)c2)cc1 2377330267 PGWNZPAJHBDYFJ-ZDUSSCGKSA-N 511.998 5.989 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Br)C[C@@H]2OCc1ccc(I)c(Br)c1 2377592734 CEVYZUJMCICZTK-GCUJQHFUSA-N 514.039 5.913 50 10 KKGE Cc1cc(C(=O)/C(C#N)=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 3191808 NKMMEDFSCBBDBN-CZIZESTLSA-N 504.295 6.532 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 14766868 WBFJXMDGGLOZKE-UHFFFAOYSA-N 525.443 5.570 50 10 KKGE Cc1ccc(CSc2ccc(C(=O)NNC(=O)c3ccc(SC[C@H]4CCCO4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 33356890 PJVLZBFBZDIFIL-OAQYLSRUSA-N 582.660 5.450 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1Cl 38651220 NPPOYNNZXBSCHP-QFIPXVFZSA-N 515.780 6.483 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660789 VHZWXTCPTSXZFR-GDLZYMKVSA-N 508.505 5.821 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 40811905 GXDXMZKDRWRGQS-MHTZHOPKSA-N 509.581 6.040 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c21 40813168 DLFZKMOJRXJFCZ-MHTZHOPKSA-N 521.617 5.910 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 40912373 WVDYHEJDFJZAPN-UVHMKAGCSA-N 517.807 5.528 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCCCCC2)cc(Br)c1OCc1ccccc1Cl 97024537 AVRSEEKKFNHKHB-DEDYPNTBSA-N 517.851 6.390 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206059 ATOSMUWMFYJHGS-UHFFFAOYSA-N 545.433 5.578 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206209 ODZQUZQNRXFNNL-UHFFFAOYSA-N 582.676 5.327 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3C#N)cc2Br)cc1 100233367 BJZSNNNMIYOHPK-LJIZRPCSSA-N 580.479 5.661 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc1Br 100236461 CNLWFHSPHUMHBT-LEEXQRRLSA-N 540.252 5.139 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)sc(C)c1C 101022521 WRXCSCIAVPONOP-ZXVVBBHZSA-N 572.690 7.607 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242499 DEHYCCOZDUYAEA-GFPZRUSRSA-N 542.444 5.728 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101334302 LFLDIAFOVMODCK-BLLKKSLCSA-N 611.529 7.816 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380401 BEQVKBFKEHQIHN-YTTGMZPUSA-N 564.613 6.877 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382978 DKWBKJIILPJIHW-HKBQPEDESA-N 567.041 7.145 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389326 DWFGJKVKKDRBGL-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)(C)C)cc3)sc2c1 101390110 FQHUIFNWSOLJGE-RUZDIDTESA-N 529.061 7.598 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2cc1C 101398001 ZTLVLQFSBKGJND-JGCGQSQUSA-N 625.508 8.681 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101399000 BIHBQHPMPGXFDN-ROJLCIKYSA-N 576.605 5.546 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3cccc([N+](=O)[O-])c3)CCC4)ccc21 101600025 SRQMXUAVPZIFJR-IWBSIUBASA-N 549.587 6.347 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 101713127 ZOGJNVFAUIHAKX-BRJLIKDPSA-N 542.268 5.446 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1cc(Br)c(N2CCCC2)o1 103875826 FRDJKKRBPYEAHW-KIBLKLHPSA-N 601.093 5.245 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150476953 IZDSLCBHRDJWSC-VWLOTQADSA-N 714.857 9.514 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 150482318 AECFQNSSAOXGHP-UMSFTDKQSA-N 659.566 8.587 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 205666871 BESUREJESSVFDN-OFYRUXDGSA-N 574.652 7.539 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2 209398296 GUGRARDDCCCKRP-UDLNKVAWSA-N 519.579 6.072 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)C1=O 214242543 OAOURIXLQBYGKB-UQQQWYQISA-N 509.566 5.620 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214278535 FORNORDXQVMSDH-COEJQBHMSA-N 558.707 7.224 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 214402679 ZXBPQJRZVWMRET-JDCMOKTRSA-N 586.692 6.562 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214404368 UPHKYDSIBNPGCD-IMRQLAEWSA-N 522.601 5.508 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 234814012 QJBKTGILNRCOPN-CQSZACIVSA-N 516.398 6.200 50 10 KKGE O=C(NN=Cc1cc(Cc2ccccc2)cc(C=NNC(=O)c2cccc(Br)c2)c1O)c1cccc(Br)c1 252597717 CUEUQBBBSDJKCO-UHFFFAOYSA-N 634.328 6.036 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc(OC)c1OC(C)=O 254294563 PUCJJCQKGGTFPP-UHFFFAOYSA-N 587.702 5.417 50 10 KKGE CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc2c(c1)Nc1ccccc1S2 254342389 KAGDJNZFHQJKTN-UHFFFAOYSA-N 540.648 7.362 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(COc2ccccc2-c2ccccc2)cc1 254401931 FAYOVQNFQNBKGZ-UHFFFAOYSA-N 548.646 7.549 50 10 KKGE COc1cc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)ccc1OS(=O)(=O)c1cc(C)ccc1C 254428629 NWRGXCJEEGROIO-UHFFFAOYSA-N 531.634 5.251 50 10 KKGE C=CCc1ccccc1OCCOc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc(OC)cc3)s2)cc1OCC 254590848 YVGCIJOHUKMFDF-UHFFFAOYSA-N 615.712 5.077 50 10 KKGE CCc1ccc2c(c1)C(=NNC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2C 254845042 GGPZFUQSSTWJMK-UHFFFAOYSA-N 552.638 5.677 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024857 IROZDSOIJMGVCC-PZDAQZFUSA-N 812.941 15.172 50 10 KKGE CC(C)c1nnc(CO[Si](C)(C)C(C)(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 504264338 IQQIWOROFFKIJZ-NJRPBVBHSA-N 631.938 8.149 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616590423 RALYOFHHSKCHRY-YZIJLPSISA-N 662.852 7.227 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2ccc(I)c(Br)c2)cc1C 721608194 FBMKGCCRJXGANP-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE CCCCCCCCC/C=C/CC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)OC(C)(C)C 888085309 IXYPODBKCGLJAC-MHHGEJIESA-N 511.864 8.296 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 953040809 ORRGOXHOIQNRJM-XZGAKODLSA-N 902.254 10.783 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc(C)c2)cc1 1083852020 OACXQUFDDXAPHN-RUZDIDTESA-N 525.443 5.699 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1 1083898362 UJYPEEPAWSFVPR-UHFFFAOYSA-N 515.433 5.457 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084108711 VZQOHEOZNNENTP-MHWRWJLKSA-N 628.091 7.485 50 10 KKGE COc1cc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084124414 IGBXOTSNWQPOMW-UHFFFAOYSA-N 563.879 6.972 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 1084231296 UUBSTPVLRUAOKM-UHFFFAOYSA-N 530.584 6.704 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OC 1084241028 IGFUDCWGHNIZEU-UHFFFAOYSA-N 532.438 6.386 50 10 KKGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084243206 XNBRFHJJULMLRK-UHFFFAOYSA-N 546.023 5.821 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Cc4cccc5ccccc45)c3C)sc3c2CCCC3)cc1 1084328498 GSMLBYFCJOOSBP-UHFFFAOYSA-N 574.750 7.441 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(I)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084333030 JYIGOERXGKHQBA-KGENOOAVSA-N 801.204 6.335 50 10 KKGE CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084416673 WZAXSLWIYQPBTL-UHFFFAOYSA-N 579.438 6.229 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653270 HWUGKKJENZQXRR-JQKULGJYSA-N 600.062 7.061 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 1772754211 FOOIQFDNRFMHJT-UHFFFAOYSA-N 505.453 5.853 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)C)cc(Br)c1OCc1ccccc1 1772754249 SYRVFXVCYIBMAT-UHFFFAOYSA-N 511.416 5.689 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccccc1C 1772756493 BGTDNRCITOAHFT-UHFFFAOYSA-N 545.861 6.144 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1cccc2ccccc12 1865682542 RABCRLNKJDCEAQ-IBGZPJMESA-N 501.295 6.569 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691700 ZDMGENYPLXHTSU-HHHXNRCGSA-N 541.051 6.657 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 1865701066 KWEDJEFFNNSHDY-AREMUKBSSA-N 533.415 6.293 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701126 MMKOPODFYJCZHW-INIZCTEOSA-N 516.193 5.019 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865703232 QVVMYJAXOVBFRH-MUUNZHRXSA-N 511.585 6.040 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccccc2)c(OC)c1 1865705307 RMUGPQXPFXJIOM-VWLOTQADSA-N 522.561 5.025 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706338 UGDLPJKYFNGXHY-HSZRJFAPSA-N 513.941 5.636 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1OC 1866990754 MMWUPNAUZDJZKR-LITSAYRRSA-N 575.687 5.308 50 10 KKGE CN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H]1c1ccc(F)cc1 1868544681 IZJFEEQHMCVHPQ-MUUNZHRXSA-N 552.723 7.390 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)nc2c1 1872728791 UKCFFVNCCOXOJM-GIJQJNRQSA-N 506.345 6.072 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 1872757849 YWVIWPMDVGDOMC-MHAPCUCXSA-N 508.043 6.443 50 10 KKGE Cc1c(Br)sc([C@H](Br)Cc2cccc(Br)c2)c1Br 1922898508 VYPURLWUJVEBMP-SNVBAGLBSA-N 517.906 7.023 50 10 KKGE Brc1cc([C@H](Br)c2sc(Br)cc2Br)c(Br)s1 1922929043 FNPYMDPRQWXZGB-ZETCQYMHSA-N 574.777 7.344 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2[C@H]3CCCC[C@H]23)c1Br 1924584179 UQEFIKOLKCXZMG-ATVXKPNKSA-N 507.911 6.908 50 10 KKGE Cl[C@H](c1cccc(Br)c1Br)c1c(Br)sc(Br)c1Br 1924615726 FOMOUNSXXHTIRP-SECBINFHSA-N 603.193 7.889 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 1951016297 LUNSEEXBEJTQPK-ZCFIWIBFSA-N 588.804 7.652 50 10 KKGE C[C@H](N=C=O)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951441019 HZDZIYWPHOXQQZ-ZETCQYMHSA-N 639.997 5.244 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1sc(Br)cc1Br 2003649170 HDKQPHMODHYVNS-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1C 2039502755 KJCKCYMPTOZNKW-ZETCQYMHSA-N 558.380 7.852 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2scc(Br)c2Br)c1Br 2083334802 UMXDNLWOJSMBBM-LLVKDONJSA-N 538.324 7.435 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23C[C@H](CO2)C3)c1Br 2085498257 NDFJHIIWATUBIZ-LVRCTXOYSA-N 568.723 6.352 50 10 KKGE BrCc1ccc(OCc2ccc(Br)cc2Br)c(Br)c1 2092265123 GFQREBDBTYSPPU-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)Cc1cccs1 2123365596 LYAFGABNOJWNPO-UHFFFAOYSA-N 515.292 5.797 50 10 KKGE BrCc1ccc(COc2c(I)cc(I)cc2I)cc1 2126469991 CTJVJSXYEPMQBH-UHFFFAOYSA-N 654.849 5.974 50 10 KKGE CO[C@@H]1C[C@]2([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]12 2141469966 YAYODKVUSPSSFE-BXPKGIBSSA-N 538.299 6.442 50 10 KKGE C[C@H]([C@@H]1CCCO1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470966 MMMOVALNQNLHRL-OUAIYISWSA-N 584.766 6.988 50 10 KKGE Cl[C@H](c1cc(I)cc2c1OCC2)c1c(Br)cccc1Br 2150493093 IKXHLSUPXFFLAW-CQSZACIVSA-N 528.409 6.079 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(I)ccc1F 2202997807 LFHNHSOJMRLAEB-CYBMUJFWSA-N 534.388 6.339 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394134 FEMVBKWIRICUJO-NSHDSACASA-N 615.183 6.869 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@H]21 2206397498 JUKHMESUGPRDKU-SNDWFZJGSA-N 558.280 7.308 50 10 KKGE COCc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397840 NJALSFXYGSCONG-CYBMUJFWSA-N 612.801 7.429 50 10 KKGE FC(F)([C@H]1CCOC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399823 LXFQNZVNVXCVIH-DYEAUMGKSA-N 606.719 6.844 50 10 KKGE Fc1ccc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206407412 CFLZWCTUQWWXLM-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccsc2Br)c(Cl)c1Cl 2217613481 PGWBHWGYPOQANB-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2csc(Br)c2)c(Cl)c1Cl 2217617466 GXHGBDOVIGMXLU-VIFPVBQESA-N 514.291 7.718 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccc(I)c(Br)c2)c1C 2218781650 PFEATZYIRGDKAI-LLVKDONJSA-N 520.455 6.823 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)cc(C)c(Br)c2C)cc1I 2235615213 PDZZTSXOFFFOCC-INIZCTEOSA-N 528.453 7.070 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2237454187 GBSNINSGLBGMGV-AWEZNQCLSA-N 546.322 7.615 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)c1C 2237634216 VKUONCBXIPRWNC-JTQLQIEISA-N 542.345 8.334 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1ccc(Cl)c(I)c1 2248211585 DKLPXEZUWGLERY-NSHDSACASA-N 506.428 6.561 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293198239 MJCLMQTWDGGGEI-HSZRJFAPSA-N 526.420 5.875 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 2295872342 FDIWKLYIRRMGNI-UHFFFAOYSA-N 524.440 5.966 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2Br)c1 2297491134 AFUBGXGMXJTNQQ-UHFFFAOYSA-N 605.670 7.206 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)cc1 2313568828 ZBLRQSWRHVXYBZ-UHFFFAOYSA-N 689.335 6.039 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc(I)cc2)cs1 2314487532 JCCOVFBLCFESEQ-UHFFFAOYSA-N 549.220 8.046 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592285 PTDDLZJBYPVOAS-SANMLTNESA-N 584.063 7.856 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(CC)cc3)C2=O)cc1 2314592303 QJSYAETXVJUJAN-HHHXNRCGSA-N 511.647 5.885 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592344 RLMWLVVADHOSPD-DEOSSOPVSA-N 554.455 6.076 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634550 HQBNZIGWZBPXHM-SSEXGKCCSA-N 545.035 6.755 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc21 2314640770 WYPWVRRBNQIUQD-GDLZYMKVSA-N 515.009 6.746 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)cc1 2314646975 XHSLINKMZHEOJX-SSEXGKCCSA-N 676.795 5.889 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cscc2Br)c1Br 2315437526 XMOWOWPUXNOKOV-SECBINFHSA-N 542.287 7.312 50 10 KKGE C[C@@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 2324599153 GQLQUIVTHHMMCX-MIEAJJKCSA-N 508.710 5.522 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OC)c(OCc4ccc(Cl)cc4)c3)nc(O)c2cc1OC 2331042561 NFAKDYXYEPMREZ-UHFFFAOYSA-N 503.942 5.658 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OCC)c1 2331389086 QCYMHUDEKYLAPE-UHFFFAOYSA-N 513.059 7.530 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336056223 HIWVKLJKKWXQQO-NRFANRHFSA-N 559.523 8.237 50 10 KKGE CC(C)(C)[C@](C)(CBr)COc1c(I)cc(I)cc1I 2352086770 FDQZDQDBQZAAEM-CQSZACIVSA-N 662.913 6.327 50 10 KKGE Fc1cc(CBr)cc(F)c1OCc1ccc(I)c(Br)c1 2377286276 JWNKBZTZPAOOFY-UHFFFAOYSA-N 517.933 5.806 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2344382 NSTROAFVLGCRHE-GJFYNSNLSA-N 542.875 7.020 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nc2scc(-c3ccccc3)c2c1=O 9041513 XYBPSECCNUJRFV-MUFRIFMGSA-N 516.692 5.851 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 33930092 MFWJWMXFVUXYPA-YVLHZVERSA-N 512.747 6.135 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 38660440 BXUNWONPJLWDBL-SANMLTNESA-N 514.578 5.447 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 38686787 KZMIUBVWKFHSFB-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@H]1c1c(Cl)cccc1Cl 40529618 YYEXIJOTMDCIED-JOCHJYFZSA-N 512.305 5.104 50 10 KKGE CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)c1C 59105042 LLVGOXIWWOECGR-VULFUBBASA-N 515.395 5.342 50 10 KKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cc(F)c(F)cc1Cl 59166852 MNBHPWPPQUPBOD-WGPBWIAQSA-N 501.920 5.889 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100145628 ZGFBPVPPLRIEML-JWQCQUIFSA-N 612.727 5.253 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Br)cc1 100236623 KSYDEHSTFIKPNE-XTYFKDDUSA-N 551.481 6.119 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244605 VXIUXPVKZVDXHN-BDPHVXEFSA-N 524.429 6.067 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101332839 RSYVSLVMOMLCBQ-RDRPBHBLSA-N 546.602 6.260 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 101334296 IUPIVPVTWJSJEV-HGMDYVATSA-N 560.629 6.648 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C2=O)cc1OC 101339190 YMVOXQPQHRYUAA-OVVQPSECSA-N 602.647 5.163 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374008 CMRVBTYAOLHWMG-XBBWARJSSA-N 546.595 5.994 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 101375408 DQFIRROZZYPQSV-WJOKGBTCSA-N 587.629 6.155 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379177 DDSJTSZJKQLOHR-HKBQPEDESA-N 567.041 7.145 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383483 VEZJONYSSMHTPD-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390796 BVEXEIHLHIGTBD-RUZDIDTESA-N 565.478 7.824 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399525 UFLNSCVWEYURMU-MGBGTMOVSA-N 604.634 7.522 50 10 KKGE Cc1cccc(N/C(SCC(=O)N(c2ccccc2)C(C)C)=C(\C#N)c2nc3ccccc3s2)c1C 102931121 SFRWQVDZGFZZQD-NFFVHWSESA-N 512.704 7.392 50 10 KKGE CCN1CCN(c2ccc(NC(=O)[C@H](Cl)c3ccccc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 103110186 HTQSDOGRASMXFN-GGXMVOPNSA-N 567.155 5.103 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c([S@](=O)C(F)(F)[C@@H](F)Cl)cc1Cl 103187861 AMMWUVYBCBVVCD-ILHIWHGASA-N 509.667 5.468 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 103816580 GOWROEYUBMDUIR-OEAKJJBVSA-N 537.616 7.267 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800042 QRISKUGCVVZUHA-XHPQRKPJSA-N 598.687 9.140 50 10 KKGE O=C(N/N=C/c1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104989928 FITQJQLPNJGCDT-DQMPJDHPSA-N 554.306 6.447 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433702 XWZVIPGBMCKUAY-XIFFEERXSA-N 689.979 9.425 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 150476961 VILPZPNMKDWODI-VWLOTQADSA-N 632.582 6.942 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccc(Br)cc12 150483388 MEAZKRKKCLRKPZ-SSEXGKCCSA-N 676.350 8.827 50 10 KKGE Cc1ccc2[nH]c(/C(C#N)=C\c3cc(I)cc(I)c3OCc3ccccc3)nc2c1 150573515 ATMSZSFZTWRDOD-ZDLGFXPLSA-N 617.228 6.724 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)cc1 205779376 CNLLVQWQMYRMKU-BVRUBFALSA-N 632.742 5.390 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1N 210355819 XGPDFZUJNISNHI-VABKMULXSA-N 600.038 7.047 50 10 KKGE CC1CCC(CBr)(NC(=O)c2cc(I)ccc2Br)CC1 232803952 VDBSOSUMBPAHDY-UHFFFAOYSA-N 515.027 5.127 50 10 KKGE CCc1ccc(CC)c([C@@H](Br)c2cc(I)ccc2Br)c1 234175669 JHSODCIOPBWPDB-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE Cc1nn(C)c(COc2c(Br)cc(CBr)cc2Br)c1Br 235976617 OJONGMKDHNWGGH-UHFFFAOYSA-N 531.868 5.490 50 10 KKGE CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@H](O)[C@H](Br)C(C)(C)[C@@H]6CC[C@@]54C)[C@H]2[C@H]1OC3 252616954 KJMGDBGFBNCRQT-CEISADNASA-N 521.624 7.611 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(SCC(=O)NN=Cc2ccc(N(C)C)cc2)n1-c1ccccc1 252624195 PIRVYMAFUWAZAD-UHFFFAOYSA-N 625.540 5.101 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccc3c(c2)OCO3)cc1 254315942 GYRUEXVVEXSNKD-VTINBPEZSA-N 524.621 5.238 50 10 KKGE N#Cc1ccccc1Cn1cc(C=NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 254671949 XKIIYLBJKGTGQX-UHFFFAOYSA-N 505.456 5.181 50 10 KKGE C=CCc1ccc(OCC(=O)NN=Cc2cc(OC)ccc2OCc2cccc(Br)c2)c(OC)c1 254842332 DMZLNARQHNTIGV-UHFFFAOYSA-N 539.426 5.303 50 10 KKGE C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](I)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 261493265 LSSCSKHAALBXBQ-MLWKOCDCSA-N 540.526 6.416 50 10 KKGE COc1cc(N2CCN(C(=O)CCCl)CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc(NC(=O)CCCl)c2)n1 514287191 SZIHGKCEGFGPSL-UHFFFAOYSA-N 640.494 5.836 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1I 721671062 CSCAAAXAUHQCJQ-SECBINFHSA-N 554.842 6.501 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1 725396426 MLSAIJDTMTWXEO-DEOSSOPVSA-N 575.887 6.053 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1 725425351 CTZUERBQZAHUML-VWLOTQADSA-N 555.469 5.708 50 10 KKGE Cc1c(/C=C(\C#N)c2nc3ccccc3s2)c(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1CC(C)C 1082888755 TXQLKPSKEWQSJE-JFMUQQRKSA-N 519.699 8.109 50 10 KKGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 1083889647 IHBBPZWIBDCNBW-UHFFFAOYSA-N 630.426 5.185 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(Cl)cc2C)cc1 1084043578 QBQXCNKGRJSDIK-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2ccccc2c1 1084059842 RWCRDISZPXKOGR-LPYMAVHISA-N 643.308 8.275 50 10 KKGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 1084192784 RWSUCSNQSORISL-UHFFFAOYSA-N 533.701 6.618 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084346131 VYDLLFDOHLRSPV-UHFFFAOYSA-N 609.480 7.466 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084386169 FAYSYBUYAOWLMB-DEOSSOPVSA-N 580.306 6.698 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccccc2Cl)cc1)c1cccc(Cl)c1Cl 1084410153 JCNRUGOXNSSDFZ-UHFFFAOYSA-N 510.830 5.377 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1 1084465637 OWLHTUSUHAJPCO-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(OC)c2)c1C#N 1084526482 FVORFJCRNAQHQP-UHFFFAOYSA-N 713.754 5.545 50 10 KKGE O=C(CSc1ccc([N+](=O)[O-])cc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 1084547391 KUDHJOMANPSYFU-UHFFFAOYSA-N 567.070 7.615 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc2ccccc12 1084604237 FOIKEKYGYYWTPA-JJIBRWJFSA-N 513.424 8.000 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 1084606871 CPSIFZAXSAJHQW-MUUNZHRXSA-N 591.502 6.553 50 10 KKGE CC(C)(C)c1ccc(COc2ccccc2C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 1772755053 JNPMWYIWORTTMN-UHFFFAOYSA-N 515.704 6.929 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@](C)=O 1775963528 MEIKKMCUTRNHMT-FBTMIQSWSA-N 679.405 5.437 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 1865684105 SXRVEAHXRVUHQY-VWLOTQADSA-N 512.013 5.545 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(Cl)c(Cl)c1 1865685062 DHIMJFLAJAESGP-INIZCTEOSA-N 517.697 6.268 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865690780 AYMYKRQWYHUQMS-IBGZPJMESA-N 563.374 5.728 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695010 HTPQODCJYWWBCH-DEOSSOPVSA-N 513.425 6.283 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865696454 NIHRWJSDCYBJHL-MUUNZHRXSA-N 536.632 6.344 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711902 LBWJJWVFWMEGGZ-JGCGQSQUSA-N 540.623 6.557 50 10 KKGE Cc1ccc(C(C)(C)CCC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866794092 CRIJRIUZRKJLCZ-HHHXNRCGSA-N 531.747 6.683 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CN3CCOCC3)CC2)n1 1868301763 WTZSQIVJXRRPIN-UHFFFAOYSA-N 500.672 5.317 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868341843 BASRKXRDMFTICX-UHFFFAOYSA-N 521.712 5.781 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccc([N+](=O)[O-])cc43)n2)cc1 1868544402 DHTXOYXCGLBANZ-UHFFFAOYSA-N 522.634 7.360 50 10 KKGE N#C/C(=C(/O)CNC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 1872746734 VKNYJQKIPFBZPY-SDXDJHTJSA-N 509.212 6.102 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1Cl 1872756705 WLAXZAAOLJXIME-VFFXKLFPSA-N 512.971 5.921 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCc1ccc(C)cc1 1872794456 CGZFCWYYISFVOA-MFKUBSTISA-N 510.659 7.786 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2cccc(Cl)c2)cs1 1872818066 LJZPZRTZZVGINZ-BZZOAKBMSA-N 511.990 6.252 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Cl)c(Cl)c3)n2)cc1OCCC 1872818096 MXGSUASTRSRWAI-PYCFMQQDSA-N 503.451 7.730 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2scc(Br)c2Br)c1Br 1922882908 IGRVCUORCJKNHL-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)cccc2Br)c1Br 1922921984 WYTZZQZEOIPVAB-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1sc(Br)cc1Br 1922937183 AFHSZZRKKVMGSQ-LLVKDONJSA-N 503.879 6.828 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924595233 WNMSYDDCQXIUAX-YLWLKBPMSA-N 501.487 5.283 50 10 KKGE Fc1ccc([C@@H](Br)c2csc(Br)c2Br)cc1Br 1945189849 AXXPHFCPGZBUHK-SECBINFHSA-N 507.842 6.659 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2042446083 RBUMRHIMFWBFFJ-UHFFFAOYSA-N 509.509 6.405 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCC23CCC3)c1Br 2047940231 TXTAXNZVVJVJPA-JGVFFNPUSA-N 521.938 7.442 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)n1 2060855189 DOLXURACHRISJH-LURJTMIESA-N 542.316 6.390 50 10 KKGE COC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500651 PIIYULNOYYDGMQ-BAJZRUMYSA-N 570.739 6.455 50 10 KKGE BrC[C@H](Cc1cc(Br)ccc1Br)c1ccc(Br)cc1 2118523724 BKYSTYBXYYZZCV-LBPRGKRZSA-N 511.877 6.695 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)cc(Br)c2)c1Br 2138856283 ZTARJYPNPYEPSX-CQSZACIVSA-N 515.840 6.906 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1cc(Br)ccc1I 2145957116 NQUMAEBQIFCEAY-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE CN(C(=O)c1ccc(I)c(Br)c1)[C@H]1CCCCC[C@@H]1Br 2172539594 LGAOYCVZSUPXFJ-FZMZJTMJSA-N 515.027 5.222 50 10 KKGE O=C(NC1(CCBr)CCCCC1)c1ccc(Br)cc1I 2207275185 JHPUTYIPFMWWIW-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Br)c2C)c(C)c1Br 2227363699 ZXMUQARIWYKOLY-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Cc1c(Br)sc([C@H](Cl)Cc2ccc(Br)cc2Cl)c1Br 2229148055 QHSUYOLOMGIIQJ-SNVBAGLBSA-N 507.900 7.520 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)s1 2233025474 YYNOXQBNEAAPSJ-CYBMUJFWSA-N 550.481 6.789 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)s1 2233025539 ZODXHAGNNMYBRM-CYBMUJFWSA-N 594.932 6.899 50 10 KKGE Cl[C@H](c1cc(Br)ccc1I)c1ccc2c(c1Br)CCO2 2238072670 ZGQFZVBGPXXCIF-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(I)c(Br)c2)sc1Br 2256060306 QXZQJUMSZUAPBV-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 2294168623 VXDLUTKKHGYQDQ-UHFFFAOYSA-N 602.856 6.867 50 10 KKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)cc1Br 2295264551 GYPKJXPDYJOYSN-MRXNPFEDSA-N 525.904 7.270 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 2297506279 RIVCWCODZRCFQP-UHFFFAOYSA-N 555.656 5.842 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313556669 HWKPXRJLSRZGIR-UHFFFAOYSA-N 695.182 7.687 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)cc2)cc1 2314414762 LOZGEONFKGFUDZ-UHFFFAOYSA-N 502.618 6.346 50 10 KKGE Cc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314448492 IFVJACLFWXFFDT-NRFANRHFSA-N 525.078 7.583 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NC[C@@H]1CCCO1 2314478183 ISGLYYJEJRKLIA-LJAQVGFWSA-N 504.590 5.320 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314489939 WHTMGTNKHRHXCO-UHFFFAOYSA-N 501.907 6.802 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592024 JZUGLGALBZKXQZ-VWLOTQADSA-N 518.038 6.030 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314616611 FQTAAHHHZLHXKH-NRFANRHFSA-N 556.622 5.664 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 2314620599 SEQZLAZRLYDDGF-UHFFFAOYSA-N 573.049 5.527 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314621146 ZPVSSDWRSMLVPH-UHFFFAOYSA-N 528.543 6.217 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc5c(c4)CCCC5)csc3n2)cc1 2320488229 LFQXYRJRPKPRCB-UHFFFAOYSA-N 516.692 6.309 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1 2328796768 IVMQWAFRWQVJSD-VWLOTQADSA-N 508.018 5.505 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1 2331256085 RWKFULIZXQPPMC-UHFFFAOYSA-N 519.626 6.899 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1Cl 2331398382 NTBQWRPHGZHSEN-UHFFFAOYSA-N 504.839 7.460 50 10 KKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1O 2331480496 XRBBHQHUKAUHLP-UHFFFAOYSA-N 512.212 6.666 50 10 KKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(CCCO2)C1 2349865400 QRJLYEMVNCXJRW-UHFFFAOYSA-N 500.012 5.321 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Br)cc(Br)c1 2360491941 IRNZTMMSBWRPPQ-NSHDSACASA-N 570.703 7.904 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(F)(F)[C@@H]2CCOC2)c1Br 2362232605 PUYUFMCILZSYRB-GCXOYZPQSA-N 501.362 6.112 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)c(=O)n(-c2ccccc2)n1C 29491601 ZSLWATAIKLMABE-VFCFBJKWSA-N 624.676 6.601 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 34704810 BZVIQTMIXILUQA-SFDFQISYSA-N 500.618 5.524 50 10 KKGE N#C/C(=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 35518535 BSANFZJRVZAXSF-GIDUJCDVSA-N 501.911 5.932 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)cc1 38679174 FWLLBDRVXXAWGQ-MHZLTWQESA-N 500.551 5.320 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(CC)cc3)ccc21 38683087 LFZVSQQDOORUMQ-WRONEBCDSA-N 512.606 6.019 50 10 KKGE COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c(C)c1 59304626 FDDJKZNQHWXGPH-FMFFXOCNSA-N 517.585 6.572 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59335341 MLBUTHQPKBZBNR-NVMNQCDNSA-N 501.797 7.089 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1I 100185588 RIXKUKDROHHWCK-UHFFFAOYSA-N 545.215 5.088 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 100234757 GJHDVBMYBXNRIY-OSGOCAMQSA-N 561.476 6.544 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 100452488 VPLPHCSKBPHCSM-ZSYYNXLFSA-N 551.437 5.419 50 10 KKGE CC(=O)OOCc1ccccc1N(c1ccccc1COOC(C)=O)c1ccccc1COOC(C)=O 100667826 OOXNMNUSZWMXLV-UHFFFAOYSA-N 509.511 5.141 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)ccc1Cl 101362542 PVDSSHKPGLWECO-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101368167 FIBNHAWSIGSNDO-HSZRJFAPSA-N 604.528 6.162 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1 101377785 PBNKYTKBNSRSOY-WBFFZTRCSA-N 508.618 6.873 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380314 YHPFLFIHRCNSOZ-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)cc1 101380895 ROSBJKAIMOBCMG-QTEAWJPNSA-N 554.549 6.135 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385932 CKAFKFRMJJFPEX-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387504 KMUKUHDICGEHTL-OGFNDVACSA-N 599.470 7.418 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)c(C)c2cc1Cl 101392100 VHJPRILZWSQGPT-DEOSSOPVSA-N 539.802 7.447 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl 101398582 RZBRDQQRQIVSSI-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602927 VKLBFCURFYFAQH-DFKUXCBWSA-N 549.414 5.593 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)CC)c(=O)oc3c2)cc1OC 101702206 VFMNZPBWHCWEDX-VRMLFSPKSA-N 546.620 5.802 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 103870667 AALWGPSPGNYKNX-XIEYBQDHSA-N 548.712 7.449 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 103877262 MUFXJTJCIASIBL-JEPNHJGPSA-N 595.055 7.366 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 150431797 JVADWJZFZZLSPL-ZSYYNXLFSA-N 647.466 5.540 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150481926 CVMKPRNUYVWKLS-MHZLTWQESA-N 633.940 8.878 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2cc(Br)ccc12 150483702 JTLJXOSTTRLZOR-PMERELPUSA-N 625.450 7.659 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2ccccc2o1 163794788 MFUXURJPULFRMX-IPBVOBEMSA-N 644.090 7.450 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214306950 GRHCAFZLKBVFAB-QXPFVDMISA-N 586.692 6.526 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 214340745 CJRYJXFMUQWLCK-LNYBZIJTSA-N 591.693 5.143 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C2=O)cc1 214399693 IOSPUXVJWWZNPY-FSGOGVSDSA-N 542.639 6.000 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C2=O)cc1 214402342 ORPYUCJINXCLFB-NHYZDEDTSA-N 620.709 6.962 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214435131 GBTKZFTTWLOOKN-RGXNXFOYSA-N 634.664 5.429 50 10 KKGE O=C(NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 254523573 MHRAHWHCDGSLSC-UHFFFAOYSA-N 648.288 6.484 50 10 KKGE CCc1cc(CCl)cc(Oc2c(I)cc(Cl)cc2I)n1 312231843 DUXOVDPLGQUZBD-UHFFFAOYSA-N 533.962 6.038 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cccc(I)c3)c(Br)cc2N1 380042513 NTGBVCTUSCPGKU-OAHLLOKOSA-N 506.963 5.033 50 10 KKGE C[C@@H]1[C@H](O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504214944 DFPBBOCDGYBNBR-RCNYZRBISA-N 550.689 5.419 50 10 KKGE CON=C[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[C@H]1O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C 575448388 IBUWRFQPAQWUEY-CXRMKHTOSA-N 948.803 9.752 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\CCCCCCCC 605694576 FQTJLFSCVMFYLT-VCAYUJMESA-N 637.430 12.531 50 10 KKGE ClCc1nc2c(Br)cccc2n1-c1cc(I)cc(I)c1 690394270 ARBVMTAXBQWRQS-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE CC(C)(/C=C(\C#N)C(=O)[C@H]1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 725325639 PFKDYMWOJYZRBD-ZJYWBSQZSA-N 664.786 5.552 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1083956069 YZDCBDOLYDFXRR-UHFFFAOYSA-N 521.042 5.093 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084003350 PICJIJMIVCFXRT-UHFFFAOYSA-N 608.161 7.766 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2ccccc2c1 1084006745 HDJCRCFRPOFVNT-HKBQPEDESA-N 522.645 6.510 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 1084136235 VHRGXJGVGIUOCW-JOCHJYFZSA-N 515.379 5.140 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084280131 DFWXZIQBXDGDSN-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccc(F)cc1 1084437613 HHNLGAXZAONFCE-UHFFFAOYSA-N 542.573 5.744 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 1084492385 RIIUOIVCVPQAFY-YVLHZVERSA-N 519.292 6.732 50 10 KKGE COc1ccc(COc2ccc(C=NNC(=O)CSc3nnc(CNc4ccccc4)n3-c3ccccc3)o2)cc1 1084510805 ARIHWDIDNWQFJK-UHFFFAOYSA-N 568.659 5.302 50 10 KKGE CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1cc(Cl)cc(S(=O)(=O)c2ccccc2)c1 1088750012 GQQUCFKETOHDKZ-UHFFFAOYSA-N 505.423 5.412 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653473 HZLABPFQGLRZFV-WDJISFPHSA-N 560.517 6.370 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772750281 YUPPWABHEIWHJO-UHFFFAOYSA-N 544.391 5.169 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690241 MJDIJMRTKMMOTQ-MHZLTWQESA-N 529.015 6.474 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865693252 IPSAEMQHCBQTEU-MUUNZHRXSA-N 524.596 5.829 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865696252 LGGYTZNTOIPBME-SANMLTNESA-N 555.506 7.317 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700961 IHRKZGPYKXTRIZ-QGZVFWFLSA-N 536.611 5.283 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702818 FYSOOAMSMSEKAX-MUUNZHRXSA-N 531.015 6.990 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703301 STEJZSPVOYEFBP-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704000 KJMDSBYFYYXHKQ-DEOSSOPVSA-N 527.452 6.214 50 10 KKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704129 OAJHOVYWBBCHQC-QHCPKHFHSA-N 513.425 5.968 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704449 WFYUNJHOWUNBII-VWLOTQADSA-N 561.867 6.648 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865707323 UIJDPDZNJGLUJF-YTTGMZPUSA-N 551.694 7.152 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131802 OJPJXCLXUCYHRE-XDHOZWIPSA-N 509.425 6.462 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccc(Cl)c(Cl)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998726 ZAYPPENGHZFPSK-SXOMAYOGSA-N 584.525 6.598 50 10 KKGE CC[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867041351 ZKXVYPQTISXJJL-PMACEKPBSA-N 529.485 5.534 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1868231668 NUTHFNNKIFSTFC-OAQYLSRUSA-N 510.461 6.257 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 1868320867 QDWLQSDMRNNMRI-SANMLTNESA-N 520.662 6.054 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 1872749478 SRPOWHCDTWLXKL-HZYJKNPPSA-N 517.607 5.621 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1OC 1872784713 XKLUKFGUOMRDSL-LDADJPATSA-N 513.457 7.223 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](OCc2cc(Br)cc(Br)c2)[C@H](I)C1 1900368619 WVYBSTAQHIDRLP-KGLIPLIRSA-N 561.052 5.151 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)cc(Br)c2)c1Br 1922945974 MHELIIHFYCJNOM-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Fc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579659 IIXLYOAQNQWSON-MRVPVSSYSA-N 507.842 6.659 50 10 KKGE Cl[C@H](c1ccc(Br)o1)c1c(Br)c(Br)cc(Br)c1Br 2085497861 YYSXERDKOPNHKS-LLVKDONJSA-N 587.125 7.420 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3ncccc3s2)c1Br 2108679201 VJLNOZUEQWZOFE-VIFPVBQESA-N 546.929 7.130 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 2137649514 XYHOSQMHORYHIR-CQSZACIVSA-N 579.295 7.262 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1c(Br)cccc1Br 2150496122 RIFWOMWVQBVJIV-LBPRGKRZSA-N 525.904 6.770 50 10 KKGE FC1(F)CCC2(CC1)C[C@@H]2[C@@H](Br)c1c(Br)sc(Br)c1Br 2163396446 OXIAEZVSNVHJQD-HTRCEHHLSA-N 557.918 7.687 50 10 KKGE CC[C@@H](Br)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 2170615714 SGAIWPLDWBJRNQ-TZMCWYRMSA-N 515.027 5.222 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1F 2206406306 XTISDLMECUVKOS-CQSZACIVSA-N 550.285 7.512 50 10 KKGE CC(C)Oc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2293202189 STRDKVGOVBKHAX-UHFFFAOYSA-N 505.949 6.739 50 10 KKGE Clc1ccc(Br)cc1CO[C@@H](CI)c1ccc(Br)cc1 2295173635 NUHFTEVNDFVNIG-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457005 QFJPDEUFGKCPMD-UHFFFAOYSA-N 512.226 7.659 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314486883 FPNXNVRWZOCBJI-UHFFFAOYSA-N 611.908 8.249 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592185 NMPBDMBXCUULFZ-VWLOTQADSA-N 502.039 6.276 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 2314610171 DIDIWOZFBKJYNR-HXUWFJFHSA-N 510.663 6.432 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 2314616797 JZNIGIHBGZPKEM-UHFFFAOYSA-N 517.335 5.230 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314620923 WDJIQGQFPZVKIJ-UHFFFAOYSA-N 572.621 5.274 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 2314754496 UBJNLJZNRMUNFN-UHFFFAOYSA-N 523.054 7.278 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 2328824655 JPDXLPOGXREIIS-QFIPXVFZSA-N 501.599 5.193 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCC[C@@H]2C[C@H]12 2333303695 PWYQLRNXTFGOOT-WUUFAPOGSA-N 536.327 7.453 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(I)cc1 2339652324 YFSYFLDYIFGQEM-ZDUSSCGKSA-N 518.389 6.592 50 10 KKGE Clc1ccc(C[C@H](CBr)c2ccccc2Br)c(I)c1 2341027008 GLSMKJWUCOAGQA-LLVKDONJSA-N 514.426 6.428 50 10 KKGE Fc1cccc(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223150 GGXPITLUEOMLGR-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE CCn1cc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)nc1Br 2362225135 OSUDMNMIAXCMGU-SECBINFHSA-N 554.277 6.467 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1c(Br)c(Br)nn1C 2365177019 VVHSDIKNJMLNOO-VIFPVBQESA-N 554.277 6.246 50 10 KKGE Fc1ccccc1[C@@H](CI)OCc1c(Br)cccc1Br 2366183186 RULYJBRXDDIZQQ-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE Fc1cc(Br)cc(OCc2cc(I)ccc2Br)c1CCl 2367519065 DJBQLJNBDLAVKR-UHFFFAOYSA-N 534.388 6.273 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 38649866 WLWZGXAKARUFRC-WRONEBCDSA-N 510.634 6.699 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1 38650825 AQFFDTSLSHDQTM-DNOBIOAJSA-N 502.542 5.596 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701081 BPEYUMXQXWAACS-NDEPHWFRSA-N 506.558 6.360 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 40529624 CJXGNYLAULENQX-JOCHJYFZSA-N 501.753 5.849 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)c1 40530229 YPBPBSIQUHQRDE-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812174 OWXLUGZAMOEMSJ-ZZOIYXRJSA-N 504.518 5.087 50 10 KKGE Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40822108 DKYHUMYNLQPOEE-MTDXEUNCSA-N 520.438 5.164 50 10 KKGE CCCCc1ccc(-c2ccc(C(=O)Oc3ccc(/C=N/NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc1 100164213 UIKGMAVBMVPGNF-FADJLKOXSA-N 566.654 6.705 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100172585 DLENFPJLQMEIIW-AWEZNQCLSA-N 532.262 5.944 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(Cl)cc1Cl 101135414 KYQQJAZDJDJPAI-UHFFFAOYSA-N 535.406 6.613 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246458 COEYAGJYUFUHJH-AFXLCRDISA-N 552.483 6.629 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101307493 OXQJGGUNUNDJIN-HHHXNRCGSA-N 587.426 6.515 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 101340776 JWEVZTMCNXCXPP-WPWMEQJKSA-N 563.057 6.692 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 101368041 HNIPBKVEYHOEJH-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101368450 CBHHUYFRPZHFMI-APYJYERMSA-N 570.686 6.835 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)cc1 101378901 KNUQJJLJGXXZHV-HKBQPEDESA-N 532.596 6.410 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379970 VKAFJKQBVDPRAT-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380228 UFYUHUURFBXFAP-PMERELPUSA-N 567.529 5.515 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386372 JMFMLBYUJDGTIE-XIFFEERXSA-N 611.094 7.544 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386482 LBHKMIVTZDFTBR-GDLZYMKVSA-N 583.984 6.273 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)c1 101388303 SQUFJOWBBMQYKV-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 101389186 QPJAFRZXCLWIPW-YTTGMZPUSA-N 550.586 6.170 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101392044 KPKPUAGUHQITPZ-HXUWFJFHSA-N 596.706 8.606 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101397042 OYHBUGFRTQFFSV-MUUNZHRXSA-N 587.470 7.510 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 101727248 SEUFSTZCPQAFJP-XODNFHPESA-N 528.486 6.938 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666442 LJUZAORXYDSSQS-ZDDKYUFNSA-N 546.048 5.890 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OCCOC)c1C 102924659 DJEFXXNANQANLA-CPNJWEJPSA-N 525.652 5.753 50 10 KKGE N#C/C(=C/c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2 102926602 GJLZGBNGVPBMJT-LFPSXHGSSA-N 551.672 5.396 50 10 KKGE CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 103742471 FKSDWUYIENSDRK-IWBSIUBASA-N 500.683 7.281 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1 103873415 WYGOMPVMGUMRKA-XYOKQWHBSA-N 538.648 7.155 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1 103887882 HGZIXNUHNGJUSB-JAIQZWGSSA-N 568.367 5.431 50 10 KKGE C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 105637131 HFRSDVAJUCGYQP-RYQLWAFASA-N 536.268 5.153 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(F)cc1 150431622 KGIPJLYGIKUNIU-AREMUKBSSA-N 656.535 6.701 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150432018 SIIZQCROWRPQGI-HKBQPEDESA-N 641.120 8.417 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433203 JFXOIEGNDSYBOC-YTTGMZPUSA-N 686.375 8.480 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)cc2)sc2c1CC[C@H](C)C2 150485837 KXBWPCRCAZELIH-UQCGKSOZSA-N 674.219 7.452 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC 150584049 NWOCRXAWIPUCFD-JXAWBTAJSA-N 678.948 7.566 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1 150615386 CMJUSJIEIGEMEZ-LICLKQGHSA-N 685.097 6.783 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 161110335 HKSXTNIIQDNHGL-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 162430301 BRBNFSRSEHLSPK-RBVDLZPWSA-N 672.549 5.492 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1 163799638 QZETYJQGWJRHTH-KKMKTNMSSA-N 656.645 6.638 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1 164628391 WHSAJXLZACMOII-XAZZYMPDSA-N 704.156 8.059 50 10 KKGE Clc1cc(Br)ccc1CC(CBr)(CBr)c1ccccc1Cl 168968733 SPWJINICASQUKC-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OCC 205653254 MULJXNPYFJBGPZ-HPWHTHCCSA-N 512.562 5.330 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 214295310 VIOFWEPMVAUBRR-USHMODERSA-N 516.601 5.711 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214358028 NOLBQLVAPMNVGJ-QRQIAZFYSA-N 534.660 6.417 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@@H](Br)c1cc(Cl)c(Br)s1 229518844 JHCAHOCXOMEEBE-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1c(C)cc([C@H](Br)c2cc(Br)ccc2I)cc1C 234926150 SATKWDUVGQOKBK-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Clc1sc([C@@H](Br)c2cc(I)ccc2Br)cc1Br 236043999 GRXLKZHTFPPTBC-JTQLQIEISA-N 571.297 7.015 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]12 245189645 YWYUPQAVHUSVGI-AANSTJFPSA-N 546.868 9.109 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Cl)NN=Cc1cc(Br)c(O)c(Br)c1O 252589708 ANERQIPOOABQEY-UHFFFAOYSA-N 547.414 5.112 50 10 KKGE CCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530175 KPKQRYXDKNVKBO-NEWIOEQHSA-N 533.281 10.127 50 10 KKGE biogenic Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CCCSc1nc2ccc([N+](=O)[O-])cc2s1 253571766 PJNUUXWFJGUVFR-ZMOGYAJESA-N 515.020 5.375 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 254507359 MMXKQDGNYNJFHG-UHFFFAOYSA-N 543.708 6.855 50 10 KKGE CCCN(CCC)c1ccc(C=NNC(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc1 254765719 VADXPGIEGQUYLR-GLQQKGEYSA-N 539.724 6.080 50 10 KKGE Cn1c(SCC(=O)NN=Cc2ccccc2OCc2ccc(Cl)cc2)nnc1-c1ccccc1Br 254824901 OOWNPNPPQZOCNU-UHFFFAOYSA-N 570.900 5.719 50 10 KKGE Brc1cc([C@@H](Br)c2ccccc2OCc2ccccc2)c(Br)s1 309883872 XZGOSORFEFFHOE-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Br 691632614 AUDHNYRLSRJQJL-LLVKDONJSA-N 519.803 6.737 50 10 KKGE O=C(NCC(c1ccccc1)c1ccccc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238770 XBUNSNCWWYTRPA-MHZLTWQESA-N 557.037 7.028 50 10 KKGE CCCCCOc1ccc([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CI)cc1 725390358 NHZCWIWCFOYKOI-GMAHTHKFSA-N 507.412 6.043 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(Cl)cc2C)cc1 725409900 LDIMULRPQGTTSX-UHFFFAOYSA-N 577.150 6.327 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1 1083929441 QEXIXGPVXOSYPA-UHFFFAOYSA-N 623.573 5.909 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 1083996771 VDHFNVXYLLKRNW-QFIPXVFZSA-N 580.704 6.408 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1F 1084300268 DNSQTSRAFIZZHX-RGVLZGJSSA-N 542.348 5.241 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2 1084314725 OQCJLADYNPXRRL-UDWIEESQSA-N 507.373 6.575 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1Cl 1084349121 BTUPDZXOHQRPDU-UHFFFAOYSA-N 513.775 6.200 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084369113 MGDKGYOQWRFREE-GDLZYMKVSA-N 526.633 6.180 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773638 WBUHPAHBCMHESO-NCFOZQHNSA-N 575.039 9.815 50 10 KKGE CC1(C)Cc2cc(NC(=O)NN=C(c3ccc(OC(F)F)cc3)c3ccc(OC(F)F)cc3)ccc2O1 1616045971 KYYXMJMNNUSKOD-UHFFFAOYSA-N 517.479 6.177 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CCC4)ccc21 1772746838 AOTIAHCCLWBWFV-UHFFFAOYSA-N 584.032 7.000 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865691440 SAQZKJCFVVEOSL-RUZDIDTESA-N 551.485 6.383 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694806 CBIZYGHGWQNWOC-HHHXNRCGSA-N 532.003 6.385 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695079 JIDCQQYVQYDWHD-SANMLTNESA-N 531.443 6.598 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OC(C)C 1865696573 HWYCUGQJVYEPCJ-SANMLTNESA-N 510.569 5.751 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704393 UVFGWGXWFNQXDJ-SANMLTNESA-N 514.988 6.083 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705546 YTSLCQUULAGYEL-GDLZYMKVSA-N 548.643 5.947 50 10 KKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872743735 JSEYPJXPKUZLKY-CQGAXIHLSA-N 519.626 6.981 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(/C(C#N)=C(\O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872755100 YMKHNCDAJBOMEL-HHUUSFLGSA-N 501.608 5.939 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872757083 PVHUJHIFACTPDD-NNWMPZTLSA-N 507.999 5.894 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 1872791086 VECKVZGZEUEAMA-LGUFXXKBSA-N 510.659 7.683 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)c1ncc(I)cc1Br 1882959072 VFOZQXDUGAPXOA-NSHDSACASA-N 510.011 5.239 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)sc2Br)c1Br 1922933651 YEJDOTNPRSRQMU-SSDOTTSWSA-N 544.353 7.496 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(C)C 1924583536 LIDAABHNGAJOOU-RQJHMYQMSA-N 511.943 7.544 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(I)sn1 2007646966 DWLUCYPFWCZLSC-SNVBAGLBSA-N 511.379 5.787 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(I)c1 2026221429 LOFAIHBBCDNSRW-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012773 RPSDMMBNHUZTKP-AQDXGHJWSA-N 602.536 9.320 50 10 KKGE COc1ccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4S3)nc3sc4c(c3c2=O)CCC4)cc1 2042440974 QWBBLABZNWGCDP-UHFFFAOYSA-N 544.683 5.559 50 10 KKGE COc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)C(C#N)=Cc2ccccc2)cc1 2085246055 GLJLDWCPONVZKL-UHFFFAOYSA-N 501.590 6.251 50 10 KKGE Cl[C@H](CCC1CCC1)c1c(Br)c(Br)cc(Br)c1Br 2085496924 YRDUTRBLNMMWRX-SNVBAGLBSA-N 524.316 7.597 50 10 KKGE CO[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118284658 COZPKMWJQWILGD-LKHWLPBLSA-N 541.925 5.912 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccc(I)c(Cl)c2)c1Br 2138867725 YKDCWJHNVATVKQ-CQSZACIVSA-N 534.844 7.106 50 10 KKGE CC(C)([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCO1 2206401631 YKQYOTGEHOWDFD-NOZJJQNGSA-N 598.793 7.378 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)ccc1I 2229142451 JMUQPBXDYUYWRS-CYBMUJFWSA-N 534.844 6.992 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 2232078382 YMAHISGBABNPJI-SECBINFHSA-N 598.774 7.291 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2c(F)cccc2I)c(F)c1F 2282895153 UUWLLICJSPKDRG-NSHDSACASA-N 523.887 6.094 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)ccc1Cl 2288344495 KFWNEAJLPREZQQ-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Fc1cccc(Br)c1COc1c(Br)cc(CBr)cc1Br 2289753208 WNXYUVFRAGEHQM-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2296507144 VLXGCKUZSRIJRG-DEOSSOPVSA-N 532.021 5.582 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2ccc(Br)cc2I)s1 2301080420 DIZIOAHPDOUUCS-SNVBAGLBSA-N 573.846 6.701 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1C#N 2313510931 DYGQTYZEPWLMGI-UHFFFAOYSA-N 502.368 5.762 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518466 FBJPBLNUZIMCCJ-UHFFFAOYSA-N 621.302 7.738 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccccc1C#N 2313561114 VPEWPXXRVYWIHN-UHFFFAOYSA-N 563.395 5.913 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 2313630655 CYWPDXCQAQMIFQ-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@H](CC)C2 2314571925 OSWAONCPLKPCEH-INIZCTEOSA-N 519.579 6.154 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 2314616749 IXURFPMWTCNRGB-UHFFFAOYSA-N 600.675 6.548 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 2314643487 ZZSXNKBJTGNBIE-JGCGQSQUSA-N 583.015 6.904 50 10 KKGE N#CC(=CNC(c1ccccc1)c1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599204 QDCKACDZCGETAK-UHFFFAOYSA-N 512.657 5.707 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1 2328835345 VDXMVAXGSLIHJA-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c2ccccc2)cc1 2331281202 SDWWMVVKHGRWEJ-UHFFFAOYSA-N 509.587 7.539 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)CCCOc2ccc(Cl)cc2Cl)n1 2331390339 ZQFLSLNSCBEBBK-UHFFFAOYSA-N 509.842 7.739 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c(C)c1 2331393074 MNJOVNIIVRLQIG-UHFFFAOYSA-N 519.626 6.524 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 2331400722 NDYLZEPRNFALHN-UHFFFAOYSA-N 503.992 6.271 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)n2)cc1 2331431209 CBEJISCRTMOTDA-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccccc1I 2335292294 YALARSNOWZTLQL-LLVKDONJSA-N 538.807 6.984 50 10 KKGE Cc1nc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337083684 CPKFUGMYVDPTGA-MRVPVSSYSA-N 557.302 7.016 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338722000 IRIBMFXSRIQKSE-SECBINFHSA-N 517.841 5.201 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358460254 WXCPCNKYMXBMLH-ZUVKVVCWSA-N 552.326 6.832 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(I)c(Cl)c2)c1Br 2362220644 NJBBVRZHAAUUNS-LLVKDONJSA-N 617.703 7.746 50 10 KKGE Cc1ccc(Br)cc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362225290 PSSJYCVTDHUJAB-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)sc2C)c1Br 2365177216 XRSDLSQWAWMACJ-CYBMUJFWSA-N 503.481 6.989 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)Cc1ccccc1I 2365191538 OXLGMTBVZYJQKX-LLVKDONJSA-N 532.416 6.786 50 10 KKGE Fc1cc(Br)cc(CCl)c1OCc1ccc(I)c(Br)c1 2377291339 OFRPFWKWAOEWTI-UHFFFAOYSA-N 534.388 6.273 50 10 KKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)C[C@H]2C=C[C@H]1CCC2 2377337941 RFJOAYFAZCTSPS-SUYBPPKGSA-N 510.051 6.354 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2ccccc2)o1 2412136 YSVNTLRARGWYBX-RUZDIDTESA-N 502.624 7.328 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3346765 OAGDDYYZCRINCJ-PDGQHHTCSA-N 532.909 7.503 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1Br 14041266 HSQRNPOAFCNFCO-UHFFFAOYSA-N 524.415 5.264 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 38606343 ZMYXYCCLOLRFFT-WPWMEQJKSA-N 524.621 5.264 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38656071 IZAUPUSBOBESFH-DXPJPUQTSA-N 523.416 6.708 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701150 ZTIXEVYHFKTFPD-IZLXSDGUSA-N 512.562 5.219 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 40826708 LOWOMFUVUSJIMX-AWSUPERCSA-N 527.577 5.389 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 100233441 POWCRTOYEBSEBL-WGNDPNKDSA-N 586.439 5.308 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 100234371 SLENSUBDIRWNEB-FRFPSFOVSA-N 543.667 7.174 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 100234796 RLMIWOCKJYGVPK-ABZYITTCSA-N 555.425 5.089 50 10 KKGE O=P(CCl)(CCl)OCC(CBr)(CBr)COP(=O)(CCl)CCl 101053233 ASESZXXMAHCTNL-UHFFFAOYSA-N 551.791 6.137 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101334905 MNWLUYOZMBTCLU-WGOQTCKBSA-N 549.428 6.094 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369365 VEEBAXCOHUYXPI-WJOKGBTCSA-N 532.596 6.951 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 101370289 ULWYCJMEGTZNKS-AREMUKBSSA-N 533.422 6.455 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101373715 AYQGMNIIKCYIQZ-GDLZYMKVSA-N 563.050 6.347 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc(OC)c1OC 101380307 PQSVJCWOVXHPCT-SSEXGKCCSA-N 582.584 5.868 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383029 JFEDWQYIWCNXDW-GFJKYASSSA-N 581.068 7.072 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387328 SRGHTQZDIQRAOH-AUSOSSAASA-N 594.639 6.567 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c1 101387911 DYIKRVTXWBNHQH-UUWRZZSWSA-N 590.676 7.199 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1Cl 101392546 YLKQFBTUYVRNCQ-SANMLTNESA-N 569.441 6.627 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1 101394988 SWOHXWIBTCXOHT-DEOSSOPVSA-N 547.430 6.663 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101397974 RMAZQERYRLLKSY-SSEXGKCCSA-N 611.437 7.116 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 101398973 RAPXAPHIJUPMFT-WJOKGBTCSA-N 623.130 8.197 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602592 NEUWBHUWEIVCQQ-KEIPNQJHSA-N 539.941 7.136 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603224 MEZRYTFCNONUOW-NJZRLIGZSA-N 543.426 5.467 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](C)C2 102665468 XELCPGNLGLWPDD-VQCBNXJZSA-N 539.997 6.417 50 10 KKGE N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(F)c2)c(Cl)c1 103445386 JEQVXCVNVUEHFD-NIVQCIBKSA-N 524.861 5.988 50 10 KKGE C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 103878669 MNAZILJZIVMWGB-QNKGDIEWSA-N 554.488 7.272 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 104999664 HHDMKRQKIAQCRS-RXJYLVDRSA-N 553.662 6.612 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1 105641062 UJOYWHYWIDXANH-CZYCKNNWSA-N 592.376 6.713 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780900 CLEFZUVCBFIIGP-PGHBFPSBSA-N 676.795 5.952 50 10 KKGE C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@](C)(C(=O)[C@H](O[Si](CC)(CC)CC)C3=C(C)[C@@H](O)C[C@]1(O)C3(C)C)[C@@H](O[Si](CC)(CC)CC)C[C@H]1OC[C@]12OC(C)=O 206565546 WMQBNWRJKFMZPT-SOUJANRISA-N 751.119 6.793 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214314285 NHBGMGHCWJZFON-YSMPRRRNSA-N 502.574 5.850 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214376119 VGBSWLSKNLPMOQ-RGXNXFOYSA-N 570.693 7.065 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 214392643 WIMMAPQRUYSRFS-YUMHPJSZSA-N 562.601 5.878 50 10 KKGE Cc1ccc(COc2ccc(-c3cc(C(=O)NN=Cc4c(C)nn(-c5ccccc5)c4C)[nH]n3)cc2)cc1 254658379 OAMNUEJKBQRUJC-UHFFFAOYSA-N 504.594 5.531 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1 254739294 YLFUFPKHIXGYBB-UHFFFAOYSA-N 545.624 6.361 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc(Br)c1OC(C)C 254806409 QOYAKOYTOZVWRS-CYBMUJFWSA-N 508.463 5.486 50 10 KKGE COc1cc(C=NNC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl 256017800 LBWSBFALSYSTAW-UHFFFAOYSA-N 631.554 8.377 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(Br)cc1 256028395 JOQNJDODRGSZKX-UHFFFAOYSA-N 648.402 6.560 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)cc1 263625479 MQRPKRZBDXZFFK-UHFFFAOYSA-N 522.730 8.236 50 10 KKGE Clc1cc(I)c(OC[C@H](CBr)c2ccccc2)c(I)c1 380368546 LIPNUUNXOZJIOU-NSHDSACASA-N 577.425 6.107 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Cl)ccc2I)C1 382698295 BOLBJHYOPGBLHT-PBHICJAKSA-N 534.619 5.692 50 10 KKGE Fc1cc(CCl)cc(Oc2c(I)cc(Cl)cc2I)c1 387972774 YVRPGLPUAZUMSG-UHFFFAOYSA-N 522.910 6.219 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)cc1 616676058 WMXXKYYWZGWLRC-MHZLTWQESA-N 525.926 8.615 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3cc(Br)c(Br)s3)c2O1 720052757 OTTRYYIYVYLEPY-PWCHPLFNSA-N 545.916 6.843 50 10 KKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1 721586081 IMIVAFZQSVBWSH-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 725389592 DPTLRSDEQPQPHF-UHFFFAOYSA-N 559.475 5.335 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Br)cc1 1084097661 VJYOFHQFPKSXRH-HSZRJFAPSA-N 515.835 5.954 50 10 KKGE Cc1sc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c(C#N)c1C 1084247957 YDQPVZXOLUSGTA-UHFFFAOYSA-N 531.685 7.174 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc(Br)c(O)c(Br)c1 1084291144 RQBXRWZLSOAALS-UHFFFAOYSA-N 694.221 8.568 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)Cc2ccccc2)cc1 1084338884 XGWSSEQAFMPHMP-UHFFFAOYSA-N 583.541 6.051 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)c3cn(Cc4ccccc4Cl)c4ccccc34)o2)cc1 1084377161 BVJIAUZOVRWGFF-UHFFFAOYSA-N 525.992 6.544 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCc1ccccc1Cl 1084479221 XBJBJIAPWATWIB-UHFFFAOYSA-N 576.925 6.542 50 10 KKGE CC1=CC[C@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CCC1 1085210829 BIYYEQKEADNAJH-OJKZXEHHSA-N 720.222 11.325 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(C(F)(F)F)ccc2Cl)C1 1614624748 DUFHNHJTNLSJNH-RHSMWYFYSA-N 523.720 6.146 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2Br)[C@@H](CBr)C1 1614694731 RBMVRWCQLYHGIC-YOEHRIQHSA-N 521.171 6.215 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772746675 YJUAXSIHBKHODI-UHFFFAOYSA-N 508.361 6.133 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5cccc6ccccc56)c(C)c43)coc2c1C 1772751520 FBTWYOUNSNNTQU-UHFFFAOYSA-N 520.585 6.723 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(Br)c1O 1772754421 VHQKNCSQEDXTLZ-UHFFFAOYSA-N 511.416 5.408 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1OC 1772756570 XSBXMJVYAZCGDR-UHFFFAOYSA-N 525.871 6.216 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc(Br)c1O 1865688044 HKOYLDTYKZIEMM-HSZRJFAPSA-N 561.411 5.822 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1 1865693128 LUFMZCGYRWOSKS-RUZDIDTESA-N 508.578 5.563 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1ccccc1 1865693175 HZALVEJCZRYBGF-MUUNZHRXSA-N 506.606 5.690 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865693968 SOAMQFIIXACQNY-NDEPHWFRSA-N 573.068 7.187 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)cc1OC 1865696850 RVHRJLMGMSZQAT-HHHXNRCGSA-N 500.643 5.988 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697330 ZWKGACMNVLXBNW-HSZRJFAPSA-N 529.394 5.543 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1c(Cl)cccc1Cl 1865703365 UUDUAVSUCUTAGB-SANMLTNESA-N 561.469 7.073 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705499 XAMAFQHZHXMNTQ-NDEPHWFRSA-N 512.569 6.025 50 10 KKGE CC[C@@](C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867034115 CFNQIWHDVIUFIQ-HYBUGGRVSA-N 543.512 5.924 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)C2 1868365571 SXOPXMLNNKISMO-UHFFFAOYSA-N 523.662 6.775 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(OCCC)cc4)cs3)CC2=O)cc1 1872749340 MSFJBQZQLGTYAF-XOFWUJAUSA-N 501.652 6.787 50 10 KKGE Cc1nsc(Br)c1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924568796 LRRDCZJNPNOHMR-ZCFIWIBFSA-N 545.341 6.891 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC3CCC2CC3)c1Br 1924591430 RGURBZCPPWDEJT-LXKYZYTISA-N 521.938 7.298 50 10 KKGE C[C@@H]1CCO[C@@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1951106199 VZXZRJYBWHSUTF-FSDSQADBSA-N 511.899 6.287 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)sc2Br)n1 2010562987 NBRCFWIISDXZFC-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1ccc(Br)c(Br)c1 2010825882 SDEPTAHIFMZPGP-UHFFFAOYSA-N 500.322 5.207 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCOC1 2025783964 XXNFRIXNAFRCLW-ULHQUTTKSA-N 512.261 6.053 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2Br)c1 2053589932 FZKCIJWDETUDRL-UHFFFAOYSA-N 587.224 6.259 50 10 KKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2061294623 ZLVUDGHFFBYBBG-ZXFLCMHBSA-N 525.926 6.534 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)c2sc(Br)c(C)c2Br)cc1Br 2111087588 VYUZIOCHSZRGHD-NSHDSACASA-N 507.900 7.634 50 10 KKGE Cn1cnc2sc([C@@H](Br)c3c(Br)sc(Br)c3Br)cc21 2118609477 QHPRZWJHKAFLND-SSDOTTSWSA-N 549.933 6.468 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2141470887 LSLNGVSHTBEZSC-JTQLQIEISA-N 645.607 6.717 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@@H]3CCOC[C@H]32)c1Br 2141473041 KFOPZFFQRAUYCS-JVQYTDJQSA-N 582.750 6.455 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cccc(Br)c1Br)CCO2 2148751932 LZGLGINKFCINLV-CQSZACIVSA-N 525.860 6.393 50 10 KKGE FC1(F)CN(Cc2ccccc2)CCCCN(c2ccc(Br)cc2CBr)C1 2164877152 SCGYHBCYMGEDDP-UHFFFAOYSA-N 502.241 6.082 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)CC2CCCC2)c1Br 2179834237 YOTRKYXEMQRZNF-UHFFFAOYSA-N 515.311 6.034 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2O[C@H]1[C@H]1C[C@H]12 2206395514 OREKFRWSFZPTJW-XKZQNRFESA-N 550.310 6.440 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206398685 XQNGHVFQDILGLS-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)c(F)c1F 2207276303 VEKPHTKQNIDPNM-LLVKDONJSA-N 540.342 6.562 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)cc1Br 2267218140 QRJKWOWZHOONPC-SECBINFHSA-N 560.277 7.405 50 10 KKGE COC[C@]1(C)C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2269282844 YYONRRZFKJLRIU-ULTOFOOGSA-N 584.766 6.845 50 10 KKGE Cc1c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)nn1C 2277951991 CCEOSPHMFGOAFH-NSHDSACASA-N 515.869 5.695 50 10 KKGE Clc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277965660 NATVWWSAERNCJX-GFCCVEGCSA-N 532.295 7.306 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(F)cc1Br 2282135169 ATEKRFDOLVDUON-ZDUSSCGKSA-N 537.793 6.876 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Cl)c(I)c2)c(Br)c1Cl 2283566399 QMEFIGNUBDHMHR-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE N#CC(=Cc1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 2295172676 WSBRTLOPWTVHTF-UHFFFAOYSA-N 530.365 6.569 50 10 KKGE COc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)ccc1Br 2295330841 AKBQPDXJHIKVDO-CQSZACIVSA-N 527.876 6.661 50 10 KKGE Cc1c(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 2295483039 TVRSFXWGCHEMRR-UHFFFAOYSA-N 555.682 5.985 50 10 KKGE CCN1CC(=Cc2ccccc2C(F)(F)F)C2=C(C1)[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 2295869841 JSCZXWWZAWREOE-JOCHJYFZSA-N 505.462 6.205 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)C(C#N)=Cc1ccc(-c2cccc3ccccc23)o1 2295902636 AIALTFNMJBFSSS-UHFFFAOYSA-N 513.722 10.031 50 10 KKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)C1CC(c2ccccc2)(c2ccccc2)C1 2296154474 BTDVKBUZYXCLSM-UHFFFAOYSA-N 569.455 6.507 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2296705119 RVSKVDAEOUZOSB-UHFFFAOYSA-N 504.634 7.353 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 2297458713 YQSAZUKKTZMOMO-JOCHJYFZSA-N 522.945 5.452 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(Br)c(Cl)c2)s1 2300954445 XRZAUWXHXAHETI-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518714 PJCCFUUYTKAZRY-UHFFFAOYSA-N 627.693 7.775 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 2314488420 ODNMCVXTJWXJLC-UHFFFAOYSA-N 563.038 7.495 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591726 CJJLJHUENDDPPV-VWLOTQADSA-N 546.490 6.637 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593269 KNSDZINBJQCOPW-IDISGSTGSA-N 511.647 5.697 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314616666 GSOININHZJLNMA-UHFFFAOYSA-N 538.600 5.126 50 10 KKGE COCc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)s1 2315100835 TYQVYWLRZHHABM-ZDUSSCGKSA-N 502.009 5.746 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(I)c1 2316169606 DUUIKTBWUWNHCF-CQSZACIVSA-N 500.037 6.552 50 10 KKGE Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3c(OCc4ccc(F)cc4)ccc4ccccc34)ccc12 2328804151 YWWKJVZKAMBWBH-UHFFFAOYSA-N 510.521 5.502 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCN2C(=O)c3ccccc3C2=O)n1 2331362821 TYXLPPBPIWHZLJ-UHFFFAOYSA-N 500.363 5.604 50 10 KKGE Cl[C@H](C[C@H]1CC[C@@H]2C[C@@H]21)c1c(Br)c(Br)cc(Br)c1Br 2333303877 XCDSPGFIJAJRBU-HGIWHZBTSA-N 536.327 7.453 50 10 KKGE FC(F)(F)c1sccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336078694 QLMGNTXBKCEYBN-QGZVFWFLSA-N 506.181 7.593 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361173937 JSRLMBQIHYYOER-GOSISDBHSA-N 520.208 7.901 50 10 KKGE Brc1cc(Br)cc(CO[C@@H](CI)c2cccc(Br)c2)c1 2362236477 CNCJFWSSQZHZEI-HNNXBMFYSA-N 574.876 6.667 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365185696 KHIVBUWPUJOXBD-ZDUSSCGKSA-N 529.867 7.214 50 10 KKGE N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N/N=C\c1c(O)ccc2oc3c(c12)CCCC3 4467966 DSYRNPZDMQYXEE-KMUKQRDJSA-N 558.663 6.860 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 14029174 DSGKIHKVAODAFO-UHFFFAOYSA-N 505.640 5.027 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)c2)CC1 29491658 WSCVGMKALCORRI-DIBXZPPDSA-N 565.699 5.183 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 38650914 LCGFITXYUIFLDX-PMERELPUSA-N 522.532 5.607 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)c1 38658954 KIGOAIXDNGPFRO-SANMLTNESA-N 500.551 5.320 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 38659527 CPOORXZCRKXICF-DEOSSOPVSA-N 511.361 5.838 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C3CCC(CCCC)CC3)ccc21 38701458 XUXOCAATKZTUKH-XTTWBRMDSA-N 516.682 7.376 50 10 KKGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)c(Cl)c1Cl 59402175 OTQGNDCNOGKXLE-HCHMPRTFSA-N 510.849 5.969 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@@H](C(=O)NC2CCCCCC2)c2ccc(Cl)cc2)cc1OC 97914860 KLLYEOOUVOKPML-AREMUKBSSA-N 521.485 5.547 50 10 KKGE CCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 97914958 OXSQWUBBXPEEIC-MHZLTWQESA-N 535.512 5.938 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 100235613 MZBUMNCMNYRQBE-ZSYYNXLFSA-N 600.466 5.698 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 101115856 QAVNRKNBRTUACJ-AQTBWJFISA-N 563.397 5.824 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 101336428 PSGDVCMMYYAZQN-LQKURTRISA-N 529.600 5.434 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101338544 RBLZHOJCEZQTJQ-BUVRLJJBSA-N 537.576 5.381 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1Cl 101365757 DDCYDHRDHVPNKK-DEOSSOPVSA-N 541.387 5.847 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OC 101368014 XJJCPSLWBJOLKW-RDPPTWFYSA-N 540.616 6.110 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 101368734 SOUXOWIEXNYGGM-HHHXNRCGSA-N 530.577 5.329 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1C 101383383 SILVSXFDZMOSMU-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383395 AQPBDDPIKSTZIP-PMERELPUSA-N 553.014 6.755 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384498 IPJBSFYUDOWCHD-WJOKGBTCSA-N 550.586 6.631 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385337 RZFXRAMAYYHAFX-MGBGTMOVSA-N 576.649 6.809 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 101602776 SCKWGTVKCLYEGG-CDQPBRDYSA-N 541.611 7.879 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(CC)cc2Br)c(OC)c1 101799018 XIWFWEFWSRUXOI-RCCKNPSSSA-N 543.458 5.608 50 10 KKGE COc1ccc(/C=N\c2ccc(Cl)cc2SSc2cc(Cl)ccc2/N=C/c2ccc(OC)cc2O)c(O)c1 102650003 HUIACDJFYXTPIJ-YHIIUTLSSA-N 585.534 8.722 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(Br)c1OCC(=O)N(C)C 102990010 IRZIBXFEFSBIDL-DHDCSXOGSA-N 554.413 5.175 50 10 KKGE COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 103877040 LURDEKXWJIWECQ-KEIPNQJHSA-N 530.628 6.411 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 103880310 UWJYHFYJNMACJW-FDALDRLYSA-N 569.640 6.949 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 105422638 YBOXQVIDODNOSW-AJBULDERSA-N 547.080 5.762 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433307 LXHLITOXVPANBZ-JGCGQSQUSA-N 662.482 7.082 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1F 150443249 FPMCPFZOCUSVGQ-XIFFEERXSA-N 639.079 8.257 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2cc(Br)ccc12 150481907 GSCJMXZJARISPN-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE O=C(N1[C@@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@]1(Cl)c1cccnc1)N1[C@H](Cl)CN(c2ncc(C(F)(F)F)cc2Cl)C[C@]1(Cl)c1cccnc1 198852983 SHJZHHTTXUUMMY-DZRFEFHFSA-N 849.278 8.989 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCCC(C)C 205776790 WTAAFEFJBZOTLJ-LDXSREFCSA-N 660.796 6.189 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 206186900 YCCFGOJZIPVYHC-XYOMFLGSSA-N 530.580 5.871 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1 206416166 GEXNXMXTYOSBFY-QJOMJCCJSA-N 513.594 6.071 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCCC)cc2OC)cc1OCC 207297353 NRPFFTSPONMNLI-QJOMJCCJSA-N 508.615 5.244 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214409756 XGDWMTVMTMBLOI-VYZASOGQSA-N 558.613 6.103 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1cc(Br)c(Br)s1 232482590 ABOXETNMWUOEAP-JTQLQIEISA-N 615.748 7.125 50 10 KKGE CCCOc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 233251345 INUJDKIBEWCHQA-CYBMUJFWSA-N 547.932 7.309 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc([N+](=O)[O-])cc(Br)c2O)c([N+](=O)[O-])c1 252594371 BSCNJYOIWPUDHY-UHFFFAOYSA-N 551.394 5.214 50 10 KKGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 252620820 MMPCNKKUDUBXJX-IRDWMUQTSA-N 583.280 5.785 50 10 KKGE CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253498450 MPDRBMWFDJELIO-UOMVKWRGSA-N 742.806 13.221 50 10 KKGE biogenic C=CCOc1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OCC=C)c(OC)c2)cc1OC 254419792 LITMOZHVAUIESC-UHFFFAOYSA-N 564.683 5.165 50 10 KKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 254514181 QHIIILVPHKZIGX-UHFFFAOYSA-N 522.866 7.329 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 605692644 FEUYKBHDZHXQFP-VMOCJBJQSA-N 516.959 9.650 50 10 KKGE in-vitro Brc1cc([C@H](Br)c2sccc2I)cc2c1OCCC2 689530099 WXEQYOLIFICNNA-LBPRGKRZSA-N 514.020 5.925 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(F)c1I 721690091 CMUDRMZWMOKZPF-GFCCVEGCSA-N 522.352 6.470 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 725392094 XBIQFVBDLBMBHT-UHFFFAOYSA-N 652.094 7.437 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)/C=C7\SC(=O)NC7=O)CC[C@@]6(C)[C@@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@@H]3C1 1076011145 LAPUCWPKWZCJAA-BHTSVLEDSA-N 703.740 7.687 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(=O)c1ccccc1 1084167074 QPONDDQPHWGNJV-UHFFFAOYSA-N 521.573 5.250 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)cc(Br)c1OCc1ccccc1 1084210829 PKVDACQZDKLFDA-UHFFFAOYSA-N 505.368 5.659 50 10 KKGE CCOc1cc(C=NNC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCc1cccc2ccccc12 1084425788 HGBGIFOZWYQREV-UHFFFAOYSA-N 538.604 5.068 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084557442 UNCZKSGFTKFRAS-UHFFFAOYSA-N 578.090 5.582 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccccc21 1084600564 HFUPKOFSCTXZLH-UHFFFAOYSA-N 502.014 5.834 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084601879 BTAPHRLNTWJJRU-UHFFFAOYSA-N 610.490 5.110 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c1 1772747733 OKUSUVFAHZPQKI-UHFFFAOYSA-N 503.555 5.547 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749523 MLHGJQZXFZBBMJ-UHFFFAOYSA-N 565.251 6.145 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1 1772753573 OIWNORPTHUPQQD-UHFFFAOYSA-N 519.395 5.719 50 10 KKGE CC[C@H]1C=C(C)C[C@H](C)C[C@@H](OC)[C@@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1848434489 KASDHRXLYQOAKZ-IRUSTHIKSA-N 810.466 5.719 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683213 AMICBDISBDULQF-QHCPKHFHSA-N 547.840 6.241 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684614 TZGHDLAWPPGVFQ-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865688677 YEATVZVCVXGOJL-SANMLTNESA-N 578.566 6.594 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC)cc1OC 1865692774 PFXNVXDBVGATHW-FQEVSTJZSA-N 503.441 5.414 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697450 STSCOWYGLOBXBT-PMERELPUSA-N 569.105 6.776 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698102 KRUMKZNGFCFVNW-FQEVSTJZSA-N 503.441 5.268 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709800 HCSMPUBBPARACW-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712227 SOCXVOWVIFNNAX-SANMLTNESA-N 500.961 5.830 50 10 KKGE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866664049 OFHIMBGSTVBKNW-SANMLTNESA-N 577.131 6.476 50 10 KKGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867196110 MWOHNKDETBFJFO-RUZDIDTESA-N 561.461 6.024 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1868301516 QZDPUSMJZRSSSC-VWLOTQADSA-N 507.667 6.712 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1OC 1868321315 ZDRVAGMEMFEEJA-AOYPEHQESA-N 553.688 6.488 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H](c2ccc(F)cc2)O1 1868456429 OBSWHDYVLPGBJV-IQGLISFBSA-N 515.589 6.705 50 10 KKGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745090 BEYJFMHDNPSWCL-QOCHGBHMSA-N 500.536 5.076 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccccc2Cl)cs1 1872746529 MEDOZFOJQYEVLS-LVWGJNHUSA-N 511.990 6.252 50 10 KKGE CC(C)(SC[C@@H]1C[C@@H]1Br)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1877474698 OBHMHTYKPMFPLW-SZFUDVHCSA-N 504.446 5.274 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2sccc2I)c1 1899859602 ZPEBOFIRJOQIME-KRWDZBQOSA-N 564.080 7.179 50 10 KKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1910608162 STRYNOGBOPBQTK-JKMUOGBPSA-N 509.927 7.154 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1914639950 VQZHKLYATAMWEM-NSHDSACASA-N 516.082 5.730 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2sc(Br)cc2Br)c1 1922941491 OMAPJHMCAPXTRF-JTQLQIEISA-N 568.748 7.282 50 10 KKGE Clc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(Br)c1 1922943330 VDHKGNDFROWPQI-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE CC1(C)C[C@@]1(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495317 PWZKDAMBLPQRGP-AAEUAGOBSA-N 524.316 7.453 50 10 KKGE Cc1cc2sc([C@@H](Br)c3c(Br)sc(Br)c3Br)cc2s1 2100322568 JCWHIHYGTLHXAG-SECBINFHSA-N 565.997 8.105 50 10 KKGE FC(F)(C1CCOCC1)[C@@H](Cl)c1c(Br)sc(Br)c1Br 2128896648 VDDHRUHKAQXUKP-QMMMGPOBSA-N 503.428 6.377 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCC12CC2 2141468220 HPJBSGLJAREDMC-FUXBKTLASA-N 536.327 7.597 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(Br)cc1I 2142285814 VCDICLYPQKAKAJ-RMLUDKJBSA-N 559.865 6.451 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)cc1C 2142286035 AWDSPLUSQYBWHF-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Br)cc1I 2207259773 CRQRSELYVGKTRJ-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)sc1Br 2213635632 KCKXUHZIHUFIHL-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1Cl 2232528460 SMVCQYZCADCHFG-CQSZACIVSA-N 548.871 7.462 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Cl)ccc2I)c(F)c1Br 2236108900 LJVRTGPNFORKRZ-LLVKDONJSA-N 540.342 6.609 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288485450 WWJSMRMOXOMGQU-LBPRGKRZSA-N 540.342 6.562 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC(=O)Nc1ccccc1 2294284810 ZVEVVNQYBTTYMP-UHFFFAOYSA-N 564.383 5.566 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790049 KZLVVTOHMYILMN-NRFANRHFSA-N 519.736 7.738 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458574 DVXZWAZNHXJXBL-QHCPKHFHSA-N 542.875 6.389 50 10 KKGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=CC(Br)=Cc1ccccc1 2297463165 GEIFZGOJXTWRNF-UHFFFAOYSA-N 519.424 5.016 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521569 XFUGDJGGSGWINV-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313631817 WJSDVEIZDBXXAG-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE Fc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1I 2314456396 WTONUBVQBYAJLH-IBGZPJMESA-N 576.041 7.256 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593516 OIZSAEYRTOOAPR-AREMUKBSSA-N 550.511 6.859 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314616529 CVLPSUAGNMZYNY-UHFFFAOYSA-N 586.648 6.156 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 2314640617 DEOCUOSSWQRJIS-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314640781 XUCJCMXONBDWED-UUWRZZSWSA-N 591.107 8.053 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643095 BCOPOASHMRHSSK-XIFFEERXSA-N 579.052 7.073 50 10 KKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1)C(=O)NCc1ccco1 2314754532 UVZWZCWEKYXEED-UHFFFAOYSA-N 504.542 5.701 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(CC)cc2Br)cc1 2314785865 VIIJSALQICWVQX-UHFFFAOYSA-N 513.432 5.599 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 2331393982 PPYPZAQJWZZRES-OAHLLOKOSA-N 503.849 7.411 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2337316943 JVSUXJWNCXTJKC-VIFPVBQESA-N 645.607 6.717 50 10 KKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362219978 CCQMDDOFYWEUDW-NSHDSACASA-N 554.248 7.390 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cccc(Cl)c2Br)c1Br 2362224354 OCPHSLOQFKBVCV-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE FC(F)(F)C12CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2363911301 TZTQSNXXCWOTRF-OUBRSPPYSA-N 563.853 6.583 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)s1 2365594669 AUOREUCNOPOSLU-ZDUSSCGKSA-N 506.030 6.633 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2365598089 NPMGCTDWJLPMHL-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE Clc1cccc([C@H](CI)OCc2cc(I)ccc2Cl)c1 2380346006 ICSGRAUZRDJZOL-HNNXBMFYSA-N 532.974 6.291 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 33365215 RVAMVGFNVNDXDY-NMWGTECJSA-N 506.606 5.359 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCc3ccccc3)cc2)cc1 33380695 TXZPETWBOQIAOG-BRPDVVIDSA-N 524.624 6.650 50 10 KKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 33467356 LNSUCUSGZFLAJL-QNGOZBTKSA-N 520.010 5.910 50 10 KKGE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 33888956 HJVILVAPYHMELX-UYRXBGFRSA-N 512.374 5.440 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)oc2c1 38700519 RHJUKJCMPWRMJY-XMMPIXPASA-N 515.363 6.250 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ncc(C(F)(F)F)cc1Cl 40795027 HPKRAUXUICUEBO-UHFFFAOYSA-N 513.911 5.145 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)cc1 40882659 XDKXQASYDACKGK-HKOYGPOVSA-N 527.621 6.461 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1 100154450 FYYIEFIKDSFGCY-UHFFFAOYSA-N 601.361 5.275 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc(Br)cc3C(C)(C)C)cc2)c1 100210292 XMBFVSIVLWTEEF-UHFFFAOYSA-N 538.442 5.147 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2F)c(I)c1 100452175 OXBWMXRAAPIONL-OADPBGPJSA-N 611.249 5.736 50 10 KKGE CCCN1C(=O)/C(=N\NC(=O)CCCCCCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccc(C)cc32)c2cc(C)ccc21 100870015 OWGPBFVXLJDIGJ-JJTCPOHDSA-N 600.764 5.278 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 101304855 SFWSCHHLFHBGBJ-PBDRQVQOSA-N 554.650 6.766 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369247 BVPNLDQHFYUKOP-LJAQVGFWSA-N 535.512 5.590 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCCC(C)C 101374908 VAVAXRGFNGDRJT-WJOKGBTCSA-N 542.632 6.021 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376418 OMANYHPYRRGTJT-JPZYQRIQSA-N 540.660 6.970 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 101378416 MKGJBSIDSJAKOX-XIFFEERXSA-N 544.651 7.211 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380650 XJOBCJQNEJICTK-SSEXGKCCSA-N 601.428 6.370 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(F)cc2)c(OC)c1 101387368 BEXGWMZMQPHTIP-MGBGTMOVSA-N 594.639 7.030 50 10 KKGE O=C(N/N=C/c1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 104999800 PYOSUGLKKYFMOW-IMUCOVGGSA-N 500.642 5.529 50 10 KKGE COc1ccc([C@@H](C)CC(=O)N/N=C/c2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)c(O)c1 105455993 KFNQRIMCAADYEX-UZMMJWQXSA-N 554.628 5.488 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)C1 110559493 YOBOVAWPFVWLGS-UPQSEYGOSA-N 562.699 5.911 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 150417806 FFFRUCAHHBVCNY-UHFFFAOYSA-N 627.127 5.436 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1Cl 150478801 YHJWSTAQUGXKEC-PNQUVVCRSA-N 637.408 7.709 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2cc(Br)ccc12 150483609 IIONXVVNVMFPOG-SSEXGKCCSA-N 676.350 8.827 50 10 KKGE O=P1(Oc2c(Br)cc(Br)cc2Br)OCC(CBr)(CBr)CO1 159258931 SOWHFSRXEMPZAD-UHFFFAOYSA-N 636.691 6.284 50 10 KKGE C/C(O)=C(\C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@H](NC(=O)COc2ccccc2)[C@@H]1SS(=O)(=O)c1ccc(C)cc1 164657464 JYBFYDOVDDHVMZ-HMMANBMOSA-N 672.781 5.271 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)cc1 164721753 SVNKSGSCYOXYCQ-UNOMPAQXSA-N 620.228 6.329 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3C#N)c(I)c2)cc1 164723451 RPLHZTQVJWNSKO-JMIUGGIZSA-N 645.238 6.201 50 10 KKGE CCCCCCCCCCC[C@H](C[C@@H](OCc1ccccc1)[C@@H](CCCCCC)C(=O)OCc1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C 198547387 MLKVZMZGRUDTON-FAQPUFNASA-N 709.185 13.774 50 10 KKGE in-vitro O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 198746161 WSUNYKRGYACYAV-BBUXEPKYSA-N 639.491 7.775 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205642931 FEOXTCYFNHLEHA-RINHHTPGSA-N 522.645 7.000 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205654750 UEHGSNALDPEZTK-MJXOAUSHSA-N 508.618 6.610 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205660382 CMULYUMJXZCSMP-XGRABPSDSA-N 522.645 7.000 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214422871 UDLLSWKGGNKACW-ZXSNDDASSA-N 622.681 6.427 50 10 KKGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 252595783 CDMRJWOAQJARMX-UHFFFAOYSA-N 568.482 5.918 50 10 KKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1)c1ccccc1 252634583 WOPLKVKDJOTTRI-HSZRJFAPSA-N 619.143 5.326 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 253537503 IDKDEJKAOLGAAX-MIQGPBKMSA-N 604.619 6.173 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1 254379592 SODJYWKMTZQLQK-UHFFFAOYSA-N 507.719 6.841 50 10 KKGE CC(=NNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254406207 FOUCKUOXRGKEQG-UHFFFAOYSA-N 530.831 6.625 50 10 KKGE C=C(C)C(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C#CC(C)(C)OOC(C)(C)CC)OC(=O)C(=C)C 504693390 XSWFWWRZCMSVDA-LVPBYHSSSA-N 576.774 7.801 50 10 KKGE biogenic C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 606509329 YYGPOUVOBLNWHS-JVFMYYSRSA-N 629.175 12.649 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)s1 688147524 RSMTYEFHLXBMEA-LBPRGKRZSA-N 580.905 6.508 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1083902085 RPDHAHGDBWAPMM-UHFFFAOYSA-N 528.255 6.559 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc2ccccc12 1083997816 FEFKOWJWHKLIHS-UHFFFAOYSA-N 590.417 6.932 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(c1ccccc1)c1cccs1 1084019592 NWYGGEYBAGRYJI-UHFFFAOYSA-N 502.669 5.107 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1O 1084269603 MZSNTOYLUHRSJG-UHFFFAOYSA-N 565.411 5.926 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Br)cc1 1084273971 APHJFVIGPHPEGE-UHFFFAOYSA-N 527.802 6.590 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccc(F)cc1 1084408126 BAIQCVHMAKYAQZ-UHFFFAOYSA-N 526.189 6.247 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)c(C)c1 1084438699 JZRNKCXTNAYSCF-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(Cl)c1 1084547350 VGJDZCIKJUTMHR-ODLFYWEKSA-N 500.904 6.882 50 10 KKGE CN(C(=O)Nc1ccccc1)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088691958 MANOFEGEYKOHAE-NRFANRHFSA-N 515.467 5.339 50 10 KKGE COC(=O)/C=C1\[C@H]([C@H]2COC(C)(C)O2)[C@@H](O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)=C[C@H]1OCOCc1ccccc1 1307286683 MJRLFGKWDKEMSX-YFFCZVCASA-N 672.891 5.291 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749132 QMVQTUKDUHLTGI-UHFFFAOYSA-N 568.677 7.060 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(Cl)ccc5Cl)c(C)c43)coc2c1C 1772752039 SDBLZLVVFXUZNJ-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCCc1ccccc1 1865688479 SOXZKTVGBWWZEM-WJOKGBTCSA-N 572.640 6.586 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865690147 JQRVBWXXUSXUNR-MHZLTWQESA-N 508.597 6.525 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865693055 KVFMPTFGPHCZOY-SANMLTNESA-N 575.040 6.415 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865697693 ZNVKHFADCIKGJC-SFHVURJKSA-N 549.347 5.588 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702845 GMANMZCMCQVJBI-VWLOTQADSA-N 517.416 6.539 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704583 ZEQPHKXLMMTYTB-LJAQVGFWSA-N 519.004 6.785 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704731 CPYQFWSISXNVQZ-VWLOTQADSA-N 510.981 5.916 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705576 ZKFZMMUJRVCFMN-RUZDIDTESA-N 510.981 5.916 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711549 BCCQOTTWZRNHJX-QHCPKHFHSA-N 527.924 5.090 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCc2csc(-c3ccccn3)n2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867054262 XGIHZROSXZZEFB-AREMUKBSSA-N 571.684 5.002 50 10 KKGE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200443 FQUHIOUSRVHEDB-NRFANRHFSA-N 531.041 5.647 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868434222 YJHWNZRSUPKFOG-BVZFJXPGSA-N 532.044 7.219 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(C)ccc4[C@H]3CC(C)C)n2)cc1 1868527785 HUDOUDMTXVVEIE-SSEXGKCCSA-N 549.744 8.317 50 10 KKGE N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 1872727332 QPASOWFAYOSIHT-RAWKODRKSA-N 524.045 7.034 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4cccc5ccccc45)cs3)CC2=O)cc1 1872752276 UWQLBGOOWQLABD-XFMXRJAISA-N 509.587 5.986 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Br)cc2Br)c1I 1922942522 RXSUJTLYFZJIFH-JTQLQIEISA-N 550.879 6.670 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@H]3CC[C@H]23)c1Br 2025780278 QLDURYOXFRFTQK-JRHNIRLTSA-N 552.724 6.829 50 10 KKGE COc1sc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 2034640081 JUGNADKJWPHZCP-NSHDSACASA-N 566.878 6.371 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)cs2)c1Br 2081063887 VBIGDZUQDWTZDG-CYBMUJFWSA-N 517.906 7.137 50 10 KKGE Brc1ccsc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496418 WLPIKCDOABQLHH-SNVBAGLBSA-N 647.644 8.045 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(Br)cc2I)c1C 2086138418 AGXVWXVVKQIMBF-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE COC1CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471628 UKRDTXGGQPWSFM-RRQHEKLDSA-N 584.766 6.988 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1scc(Br)c1Br 2141630437 UDJKTWCDAZLGGJ-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201073023 XPOORNKDSBEPBC-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)c(C)c(Br)c1 2202353294 QBSKLLKFUPQSAK-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2224056512 YGDMYVPKAVQFCZ-JTQLQIEISA-N 585.324 7.277 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)n1 2224306163 ZXUZJIAAQQOCCI-QMMMGPOBSA-N 512.254 6.390 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2235603534 JQASIOGUXDPHIQ-LBPRGKRZSA-N 529.896 6.117 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cscc2OCc2ccccc2)c1 2252836788 HAVYFBLJHSOTKX-SFHVURJKSA-N 531.107 7.531 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2nscc2Br)c1 2252837751 UIWCLTKPMGKAPV-SECBINFHSA-N 504.867 6.109 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCC23CCC3)c1Br 2266134578 XDGMDBZXSXQNJI-RDDDGLTNSA-N 580.778 7.753 50 10 KKGE Cc1sc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1C 2277889101 NHNDESUYIVLNRD-GFCCVEGCSA-N 531.933 7.331 50 10 KKGE COc1cccc(NC(SCc2ccccc2C)=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 2297414595 UEMFELLWVKXLLX-UHFFFAOYSA-N 517.651 5.460 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(C=C(C#N)C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)cc1 2297458979 IIGKMHQKEXVYPT-UHFFFAOYSA-N 534.641 5.775 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=C(C#N)C(=O)Nc3ccc(F)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 2297534031 IGUQYZOBERWIDS-UHFFFAOYSA-N 543.620 5.972 50 10 KKGE ClC[C@@H](I)[C@H](CCl)OCc1ccc(I)c(Br)c1 2306298883 XYRVWVYMBRWHPQ-MNOVXSKESA-N 563.826 5.220 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F 2313568765 YINSVMDQDLJDKA-UHFFFAOYSA-N 564.455 5.822 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc2ccccc12 2313571532 YLKOMTUKPWGVLR-UHFFFAOYSA-N 582.281 8.042 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1I 2314453457 WWWKRRXNIWCLTB-IBGZPJMESA-N 576.041 7.256 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592131 MIGWWEOJPMQOCB-VWLOTQADSA-N 586.035 7.049 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314618515 OUQKQGLVPOLOQA-UHFFFAOYSA-N 552.675 6.044 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634548 HOHYREAOPLXICQ-LJAQVGFWSA-N 565.453 7.018 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 2314737554 WKAUAIVUUWSXID-UHFFFAOYSA-N 529.431 5.171 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccc(Cl)cc1 2314738579 QXQKSUMNYMQCQD-UHFFFAOYSA-N 586.471 8.273 50 10 KKGE COc1ccc([C@H](Br)c2sc(Cl)cc2I)cc1Br 2316598851 IRHLRRQYVTYAAP-NSHDSACASA-N 522.427 6.262 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 2331325120 MBOSRBLGDDCVBD-IBGZPJMESA-N 503.624 5.798 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)s4)cs3)CC2=O)cc1OC 2331402060 KJKGTYFNERTYCD-HNNXBMFYSA-N 516.044 5.426 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c2ccccc12 2331489274 OMVVBPWNTCHAEM-UHFFFAOYSA-N 524.645 8.768 50 10 KKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)cc1Br 2336073615 XNJWZDLZCBLOFE-HXUWFJFHSA-N 563.486 8.067 50 10 KKGE Cc1nc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)n1C 2337262327 ADMWORVBIGFVLS-LLVKDONJSA-N 515.869 5.695 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cccc(C)c1I 2338027936 ZYQYEYWXADHQCQ-CQSZACIVSA-N 514.064 6.860 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(C2CC2)c(Br)s1 2338859085 BTKYLSMMQPRSCB-MRVPVSSYSA-N 533.909 6.131 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(I)cc1 2339652323 YFSYFLDYIFGQEM-CYBMUJFWSA-N 518.389 6.592 50 10 KKGE CCC[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2349860905 VTHNPHSFHJOISV-OLZOCXBDSA-N 501.044 5.297 50 10 KKGE Cc1cc(Br)ccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256606 YVCVDFQOSALVIW-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 2369433911 SBCDITYONWZEJL-QGZVFWFLSA-N 509.160 5.568 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1csc(C)c1Br 2369594475 RKDXUAZQHZGEQY-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE C=CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2553623 VGDIBDHYRZWWAD-BOPFTXTBSA-N 503.933 6.517 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 16789803 UGJUEWFASJJTGC-JSIHEXFSSA-N 512.393 6.197 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 33383477 BMIDIKMAHHDTFR-CHTIKVTKSA-N 511.603 5.237 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682401 PPWYSASFOXVRAF-HHHXNRCGSA-N 500.620 6.415 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc(F)c1 58890178 XHBJWNWRPKXDMV-HSMHNTNPSA-N 515.379 5.140 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)=C2N2CCOCC2)cc1 97984571 LMOCCTWAOMXHRJ-VNLVBBAWSA-N 550.625 6.404 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1 100476269 JJURVHCCZVDLNL-KBKYJPHKSA-N 536.741 5.258 50 10 KKGE COc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c(OC)c1 100869288 KXMVQUSBCYXMKV-JEBQAFNWSA-N 540.090 5.328 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101334996 SFSAKVMOMFVWOB-MTDXEUNCSA-N 577.084 7.164 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 101337723 WUGZRASKUZLCRF-ADIMLFFHSA-N 529.556 5.801 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)C2=O)cc1 101339872 GFASLQQAHRDQTK-OGLMXYFKSA-N 530.584 5.349 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362503 SDKAIGMTDIZLKH-WRGVRERRSA-N 536.559 5.996 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367364 KSZMCMCYYSMSBX-LIXYRTLUSA-N 586.688 7.409 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101377545 WMAOLSMZLWMHCG-LJQANCHMSA-N 614.696 7.555 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccccc5Cl)ccc43)c2)cc1 101382048 UNNNTXPYXHERME-SYHMHQOJSA-N 549.026 7.064 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5C)ccc43)c2)cc1 101382375 HPMNLPORLHEJGZ-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383722 HOIKZCSYFFCPLQ-PMERELPUSA-N 536.559 6.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384873 SZXGSRRITCUEMM-JGCGQSQUSA-N 593.466 8.163 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1Cl 101393733 FEXLOIJJVXVNDL-GDLZYMKVSA-N 587.459 8.012 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 101396838 VHTXRLAYHJDAIK-HHHXNRCGSA-N 528.992 7.011 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccc(Cl)cc12 101397795 LJYDJXMKSHVNSW-PMERELPUSA-N 580.999 7.550 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398243 HZFQDJJHXNCWET-JGCGQSQUSA-N 629.540 8.497 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101398346 IIRRCJSVUORVIF-SSEXGKCCSA-N 576.992 6.463 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1C 101727558 ISTPXQNTLVOFHB-FJEPWZHXSA-N 552.121 6.992 50 10 KKGE O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105062831 PYZIVUKGIKWOOY-KVSWJAHQSA-N 517.210 6.580 50 10 KKGE C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Br)cc1 105621788 VDMAKUQYCRODKE-VOTSOKGWSA-N 601.157 5.895 50 10 KKGE C[C@H]([C@H]1CCC[C@@H]1P(c1cccc2ccccc12)c1cccc2ccccc12)P(C(C)(C)C)C(C)(C)C 106804790 OOAXYFJPTQXWPN-DERQMEARSA-N 526.685 10.062 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1Br 137917011 QFIGDQJBKDQPFC-LLVKDONJSA-N 503.879 6.828 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 150382819 XIPWUGAJHIPUFB-MGCJZSHXSA-N 672.155 6.359 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433252 QHRMTDUQXHIBDU-UMSFTDKQSA-N 645.539 7.791 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)cc1 150455229 DNWJOJOARRETJX-OSYJHYBZSA-N 655.132 5.127 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 150462883 YYBGTKWJPUPYGO-YJQDUFNZSA-N 646.769 5.943 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1Cl 164628543 KKEWFGHXCJCXSY-ZSNJKBEMSA-N 628.954 8.220 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=O)=C1C 201290098 ZWPIZTGCEXKIMJ-XBSTVWJQSA-N 560.863 10.828 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 207297257 WXKHMEZJZDYIIX-ULJHMMPZSA-N 546.620 5.627 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214233420 KKQKNLJPAZZVMZ-VEILYXNESA-N 536.676 6.665 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214322552 INRMUXBXQSYFAR-OSYJHYBZSA-N 522.605 5.018 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214323385 VQCBRKQGGBEXDZ-IOGUJBTOSA-N 536.632 5.489 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4)c3)C2=O)cc1OC 214371759 DOJFHCKJIMBEIS-XSVYLIDLSA-N 650.735 6.970 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C2=O)cc1 214399950 BPHMWJIWQNTXFG-VEILYXNESA-N 572.621 5.154 50 10 KKGE N#C/C(=C/N(Cc1ccccc1)c1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216501482 FPJJAYKPSHWTST-QVTSOHHYSA-N 512.657 6.034 50 10 KKGE Cc1ccc(Cn2c(SCC(=O)NN=C/C(Br)=C\c3ccccc3)nc3ccccc32)cc1 254487720 IJXBRVSCQCEPDG-VGHMLTDISA-N 519.468 6.023 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)/C(=C/c3ccc(N(C)C)cc3)NC(=O)c3ccccc3)o2)cc1 254629536 KLOFLLTVDBGJHR-GEIAQZLHSA-N 550.615 5.111 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccc(F)cc4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 254903279 UFQJHSFKKTWZMG-MCQSSSDPSA-N 652.748 6.175 50 10 KKGE Cl[C@@H](c1csc(I)c1)c1cc(I)cc2c1OCC2 302492584 JGBSNWKSTKZIPR-LBPRGKRZSA-N 502.542 5.220 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4cncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586442 PPQDUERYNRWJQB-FMWLRLSUSA-N 869.089 9.801 50 10 KKGE Cl[C@H](c1cc(Br)ccc1Br)c1scc(Br)c1Br 705418855 LIFWDGMAJWUBHB-SNVBAGLBSA-N 524.297 7.126 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725380122 IIKNFXFTQJUTSU-IJXWMGFQSA-N 657.211 7.658 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1084212087 NQLHTUKLCKERBN-UHFFFAOYSA-N 577.229 5.861 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 1084275430 VXLAVOXWBHVZGD-PMERELPUSA-N 572.687 6.516 50 10 KKGE Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3C)o2)ccc1Br 1084336611 NYCVNPBKLPVEDF-WJDWOHSUSA-N 500.190 6.634 50 10 KKGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 1084361179 TVWFNDHLPXJJQQ-UHFFFAOYSA-N 620.754 6.252 50 10 KKGE O=C(O)c1ccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)cc1 1084362626 GNLCASHHDQISMU-UHFFFAOYSA-N 572.209 5.999 50 10 KKGE N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1 1084366810 SIHZBDNBZHUKRU-FMIVXFBMSA-N 538.648 7.155 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084386102 HBUAJOMLVFOSCL-RCCKNPSSSA-N 521.411 6.371 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2ccc(C)cc2)cc1 1084390056 SAFSALGOQCCPKY-UHFFFAOYSA-N 560.745 5.778 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084416496 AIPXCLVYLAKCMI-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084454721 XMIBLCBBRALCMV-UHFFFAOYSA-N 620.197 6.051 50 10 KKGE CCCCCCCCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 1084496952 XLDWVOZTHUUIAN-UHFFFAOYSA-N 556.128 6.425 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 1084577852 COWFHNOQMKGPTR-UHFFFAOYSA-N 626.562 6.625 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1F 1084641373 RJVWKDUVSYASOC-UHFFFAOYSA-N 626.526 8.096 50 10 KKGE C[C@H](CCC(=O)N/N=C/c1ccc(N(C)C)cc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 1085889454 OUDVPVUVMCWGFP-OYPWPXEFSA-N 537.789 5.610 50 10 KKGE C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718781 PCHBCDVASSUIOJ-PVSKNUGWSA-N 616.708 5.300 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772746843 HXAKTVNIMLQXCV-UHFFFAOYSA-N 547.349 5.849 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865688898 DPNAVNUHYAADTJ-DEOSSOPVSA-N 533.415 6.200 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865691356 PZAVNDMDNLYOEO-AREMUKBSSA-N 542.998 6.182 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OC 1865695379 NXAZZBPTCDZBHQ-MHZLTWQESA-N 506.606 5.841 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865696743 JYJGRXZAIKRQEI-NRFANRHFSA-N 516.495 5.495 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1 1865703505 WYXQCPAASCGCQC-OAQYLSRUSA-N 567.395 6.815 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704172 PHOZXIWIIDODEW-PMERELPUSA-N 528.612 6.394 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706407 VZGIQOOJOLGSRM-SANMLTNESA-N 527.024 6.202 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706611 AJOUIZUDXHMAGQ-QHCPKHFHSA-N 514.969 5.193 50 10 KKGE Cn1c(SCCC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nnc1-c1ccccc1 1867075563 LZWVAZXWICMXBR-XMMPIXPASA-N 528.663 5.034 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867128573 SRSOCXZIVVFDHF-HTAPYJJXSA-N 532.504 6.228 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H](C)N1c1ccccc1 1868207223 KEFKAMXJZWYLTB-GOTSBHOMSA-N 506.679 6.488 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)n2)cc1 1868321142 WRARMSAENDBLHD-JOCHJYFZSA-N 507.619 6.491 50 10 KKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433345 IZNFHZJOXGEQLP-NDEPHWFRSA-N 512.082 7.874 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1 1872744435 RIRPTZCQMLVEPJ-SILNSSARSA-N 501.402 6.111 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C(C)C)cc5)cs4)cc3C2=O)c(C)c1 1872752172 PXDICFVBTQDKQX-FVDSYPCUSA-N 519.626 7.301 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1873920337 DKZUCZGSENNVRW-KRGSWRLMSA-N 503.580 5.331 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(OC)ccc4OC)cs3)CC2=O)cc1 1873921000 PMQGMDYXBICRSK-MKNVGELUSA-N 503.624 6.016 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1915302717 ZJRVBTQTXJBLGR-KRWDZBQOSA-N 544.136 6.366 50 10 KKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915310728 CFQCHPXQNIRFRA-SFHVURJKSA-N 505.172 6.284 50 10 KKGE O=C(c1ccc(I)c(Cl)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915760392 NYYMRMJKBQCCRD-UHFFFAOYSA-N 518.620 5.905 50 10 KKGE FC1(F)[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C12CC2 1924571288 QGLOFOKAYGMGIA-UJURSFKZSA-N 515.837 6.517 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924579775 JVOFSYFPUHNUNQ-MRVPVSSYSA-N 507.842 6.659 50 10 KKGE FC(F)(F)c1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924602518 YMADCOLWHDVOJA-SECBINFHSA-N 513.398 7.383 50 10 KKGE Cn1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)n1 1924608847 OGOIZEFIGADQJV-LURJTMIESA-N 528.289 5.860 50 10 KKGE Br[C@H]1C[C@H](COc2c(I)cc(I)cc2I)C1 1991497927 WKMLOQZRZGNGHJ-LJGSYFOKSA-N 618.816 5.053 50 10 KKGE Brc1ccc([C@@H](Br)c2sccc2I)c(Br)c1 1994134925 IXKCRUMGOJVGOL-SNVBAGLBSA-N 536.852 6.362 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)ccc1Br 2050465417 WCNSDQSOZMYPQM-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE CC(C)(C)[S@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2080748567 ZPKWNQHLTCPFJE-MIPIYVSPSA-N 663.940 7.851 50 10 KKGE C[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2085496917 YOYLOQCRJXZICG-XYZUUMPBSA-N 570.739 6.740 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCCCC23CCC3)c1Br 2117007040 IZPWLWMKTGZNLD-WCBMZHEXSA-N 535.965 7.832 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1ccc(Br)c(C)c1Br 2138853969 RLPQGAUAOLFKEE-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(F)ccc2Br)c1Br 2138854865 UXVOIRUFMAQPFZ-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2154374983 BLJIZPJBZSMWPI-NRFANRHFSA-N 514.689 5.479 50 10 KKGE CCc1cc([C@H](Br)c2cc(Br)ccc2I)c(F)cc1F 2175374299 LKEXHSJTJUXFFQ-HNNXBMFYSA-N 515.961 6.379 50 10 KKGE COc1cc(Cl)c([C@H](Br)Cc2ccccc2I)cc1Br 2202363707 YTNGCDCMHFLURK-LLVKDONJSA-N 530.425 6.394 50 10 KKGE Brc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206399801 LPVHZMHNKKQORB-LLVKDONJSA-N 720.511 8.746 50 10 KKGE CC1(C)OCCO[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399991 NYOQDNHUBWXWPX-NWDGAFQWSA-N 600.765 6.367 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cccc(C)c1I 2206571149 TZEOVJVTPFQYBK-AWEZNQCLSA-N 510.007 6.163 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)c(F)c1Cl 2207261851 NYAVVKZTQSYCGQ-NSHDSACASA-N 601.248 7.232 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)n1 2235608467 JQXXTQLTLDBFKU-ZDUSSCGKSA-N 529.896 6.292 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1OS(=O)(=O)c1ccccc1 2295196075 RBTBXDPAYZEFGF-UHFFFAOYSA-N 603.678 5.118 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C 2296506979 NZWXAQUAJLXSGM-XMMPIXPASA-N 522.457 6.675 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2sc(Cl)cc2I)c1 2300953201 GOWUCINIUSZREZ-JTQLQIEISA-N 510.391 6.392 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Br)cc1 2313518514 HEBKVLVCEKHMNX-UHFFFAOYSA-N 617.281 6.255 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313571418 VZCPMLLFHMMQPP-UHFFFAOYSA-N 624.218 6.639 50 10 KKGE N#CC(=C(O)c1ccc(-c2ccc(Cl)cc2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 2314457609 RKLOLUYKUKTPOX-UHFFFAOYSA-N 518.219 8.089 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@@H](CC)C2 2314571278 CNRNFHOTTZFZBV-OAHLLOKOSA-N 543.472 7.552 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591781 DUEKCCTXXXVUCQ-DEOSSOPVSA-N 536.484 7.182 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593685 RCEOSUWHCUFDEN-FNZWTVRRSA-N 549.618 6.626 50 10 KKGE CCOc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314616473 BMTVEBGVIOGRRH-UHFFFAOYSA-N 505.014 6.243 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617487 ZFDJPXNGSRIDGH-UHFFFAOYSA-N 543.019 6.119 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314618338 LPJZGNSZARSHPM-UHFFFAOYSA-N 579.056 6.010 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314618778 UGDPUCOOKZDLQJ-QFIPXVFZSA-N 550.659 5.579 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314619951 HUSKOKIBTFHUBN-JOCHJYFZSA-N 570.649 5.706 50 10 KKGE Cc1cc(I)ccc1NC=C(C#N)C(=O)Nc1ccccc1Sc1ccccc1 2325337015 RYYBQLZNNNMAGK-UHFFFAOYSA-N 511.388 6.209 50 10 KKGE Clc1ccc(I)cc1C[C@@H](CBr)c1ccccc1Br 2352371377 YYMJXLRUXSMCCX-NSHDSACASA-N 514.426 6.428 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2352540050 WHTNTFOQVADFCP-KKNJHRACSA-N 582.750 6.740 50 10 KKGE CCn1cc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1 2362222068 GTWPPRCLZUNHTJ-JTQLQIEISA-N 509.826 6.311 50 10 KKGE Fc1c(Cl)cccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229689 LPTQNGXDTPMJTM-SNVBAGLBSA-N 509.797 7.281 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C(F)(F)[C@H]2CCOC2)c1Br 2362232604 PUYUFMCILZSYRB-DYEAUMGKSA-N 501.362 6.112 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364072488 WGKLYHFVUNFLJR-VIFPVBQESA-N 507.835 5.698 50 10 KKGE O=[N+]([O-])c1sc(CBr)cc1OCc1ccc(I)c(Br)c1 2377642003 MIPBXYIPJFARAG-UHFFFAOYSA-N 532.979 5.497 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1OCc1ccccc1 6906957 BUYIZIAWOFCTLV-VEILYXNESA-N 506.671 8.510 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813496 YLKPDNNPSGYYKN-TWKHWXDSSA-N 517.929 5.421 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Br)cc1 58887959 NPEQISXEBKBSEP-MPTKSEEOSA-N 511.416 5.391 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCCCCCCCCCC 72400274 BQELFFWURYQYQN-RGDIWOFYSA-N 609.376 11.751 50 10 KKGE in-vitro Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3ccc4cc(Br)ccc4c3Br)cc2)c1 100061516 RIBUYCUCFMUQPV-UHFFFAOYSA-N 611.290 5.766 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2OC)cc1OC 100869785 KHDUAWQVUIEYKV-OKCVXOCRSA-N 561.418 5.548 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 101368669 CCTXHEVJVMRXIN-DEOSSOPVSA-N 571.413 5.855 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101372106 KSDSEABVIFAAFV-PMERELPUSA-N 597.495 7.164 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 101377217 YXHSHOJZUMJBKC-MGBGTMOVSA-N 544.651 7.211 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379398 PBHBHQNPAAUSLY-SSEXGKCCSA-N 557.433 6.939 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381150 RIUPCWGYKZGPIJ-GQYCGXOBSA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381173 SJFBWQJTFHSFBD-SANMLTNESA-N 549.435 7.071 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381676 KCMPQKLLURRKSR-HKBQPEDESA-N 532.596 6.492 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc([N+](=O)[O-])ccc5Cl)ccc43)c2)cc1 101382570 YZTBFYCLSFWDQQ-LJAQVGFWSA-N 567.985 6.573 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385306 JBVWVDMEZFFNON-MGBGTMOVSA-N 578.621 5.794 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101385356 IMPXYEMGVQTRCS-KTBRYMIGSA-N 580.612 6.313 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385596 GVQVLYDMCRWILM-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101386676 XCULBQIWGOZNEZ-GDLZYMKVSA-N 591.422 7.157 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OCC 101395388 VUPCFNYMHWWFCR-LJAQVGFWSA-N 611.522 7.797 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399018 YETHGHVBAKJOBK-MGBGTMOVSA-N 586.644 7.383 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 101602049 BQMKHRPHYQIXBF-MWAVMZGNSA-N 538.988 6.051 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCN(c6ccccc6)CC5)c(C)c43)coc2c1C 101619590 UXLYITJUNCFIDV-MHTZHOPKSA-N 538.648 5.313 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OCC)c1 101697667 DIKOBVLXAKTJNV-OFJVMFQISA-N 541.600 6.070 50 10 KKGE CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2 102665539 ZKTKBEQWICTHCK-SSZFMOIBSA-N 543.472 7.696 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1 102666174 RFZQDMCXCAWHCJ-RDKICWGTSA-N 566.466 6.235 50 10 KKGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 103810591 XEJZACOQLZHDHW-XNNLFHODSA-N 608.290 5.401 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 103887518 USXTZALJYCFDQR-JMIUGGIZSA-N 598.238 6.358 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 105226684 OFKQMTCFNNWRKA-YVLHZVERSA-N 535.747 7.246 50 10 KKGE COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 105626755 PVXBZNOIRBTMTJ-ZRGSRPPYSA-N 522.182 5.748 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@@H]1CC1(c1ccccc1)c1ccccc1 106963023 YJULOOZGDCUFEL-FOGHPNEFSA-N 514.217 5.374 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 150431929 QAXKKUUOAJIRGK-YTTGMZPUSA-N 669.503 8.058 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483833 VWIJRCWOLDGAEI-HKBQPEDESA-N 637.903 7.437 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@@H](/C=N/O)[C@H](Cl)[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]12 196954080 BJOYWJDUOUAWQJ-LHXKCWNGSA-N 614.296 6.467 50 10 KKGE in-vitro O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 198738789 OHBIROWVVMIFNM-DPNNOFEESA-N 585.889 7.298 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](CO)C[C@H]1O[C@@H]1CCCCO1)O[C@H]1CCCCO1 205905478 YDBVEJCYLUWJQS-OSJQCXHWSA-N 630.983 8.818 50 10 KKGE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCl)s1 211918367 PEIDDAJAEJKBSN-QGOAFFKASA-N 537.132 5.609 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1F 214259386 PCTDUWKNPXNUOL-WYRWUVFZSA-N 526.612 6.248 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214323322 VQCBRKQGGBEXDZ-ZNBSHBAVSA-N 536.632 5.489 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1ccc(Cl)cc1 252630039 UTDZJUWHYIUIJL-UHFFFAOYSA-N 527.053 5.928 50 10 KKGE O=C(Cc1cccc(C(F)(F)F)c1)NN=Cc1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12 254868335 FICOENFEIDDODW-UHFFFAOYSA-N 526.514 6.924 50 10 KKGE CC(C)C(C)(C)[Si](C)(C)O[C@@H](C)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C(C)C)[C@H]1OC(=O)c1ccccc1 504286227 QLJVMOZIMIABRD-RSEQLOHWSA-N 519.875 7.316 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]4(C)CC[C@H]32)C1 575231358 FEUYKBHDZHXQFP-LWSJMQFTSA-N 516.959 9.650 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCN1CC[C@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c2ccccc21 616674989 HVNRRIBRTHMWGC-AREMUKBSSA-N 511.899 8.572 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@@H](c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616691550 FITOPSJDDZBSTN-SANMLTNESA-N 512.887 8.203 50 10 KKGE C[C@H]1C=CC2=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]2[C@H]1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 675083711 JNIQQQDISQBBDX-ZBOYGGBYSA-N 550.853 6.928 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Br)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000320 JBHLEOSHZKKTQZ-PQYQQELUSA-N 693.521 6.391 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083818330 AUHUBWQSDUBDNK-RYWAYVEBSA-N 602.882 6.424 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 1083934686 XWCKFEIZKJSAGZ-MUUNZHRXSA-N 504.030 6.014 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084022938 UHGBXQRIIVWYPO-ZDUSSCGKSA-N 537.230 6.135 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084137145 DZNXSYNNTNZJAG-VWLOTQADSA-N 589.914 6.443 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 1084148843 YWMNCCIOBRFVFA-QFIPXVFZSA-N 623.285 5.605 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084189014 UMEHVZYTAPOMAZ-UHFFFAOYSA-N 661.611 7.569 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084291382 VBNZDOWEFDIALH-UHFFFAOYSA-N 503.769 6.745 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743890 MXSZKONJMXVEBM-UHFFFAOYSA-N 534.332 6.092 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748950 FOIJTFTWIVUGPO-UHFFFAOYSA-N 521.788 5.431 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(=O)OC 1848433178 LACUDBFJBSQZIP-NNJHJWNJSA-N 514.867 9.166 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865688173 LZJPYPSWNJWOEG-SANMLTNESA-N 578.566 6.594 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865688933 FVXPLLJSFOWWBN-MHZLTWQESA-N 506.606 5.922 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(Br)c1O 1865688997 GXLGHRACFRNZKX-QFIPXVFZSA-N 563.839 5.947 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865693719 QHQQQHJDMADGBN-XMMPIXPASA-N 557.448 6.317 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865696777 KHBJIVCVXDATIG-HXUWFJFHSA-N 515.795 5.222 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865697244 YIJNTJGPRHSPTQ-AREMUKBSSA-N 516.642 6.155 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701326 SJDHCLKQLQAGPQ-IBGZPJMESA-N 578.692 5.986 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865701395 URNCOMPWOWFAAO-VWLOTQADSA-N 528.996 5.555 50 10 KKGE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703323 SZPWCTQIRUOLGI-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1866126736 KVYUYSMYEDOWAO-CAPFRKAQSA-N 534.590 5.023 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1866128600 AVTFSAUEUYANCN-XDJHFCHBSA-N 583.460 5.777 50 10 KKGE CC/C(=C\C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866687054 IFXGFYLNFFUOAH-MQJKTTPVSA-N 543.645 5.353 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccncc2)c2ccccc2)cc1 1866701489 NMQCLLXCKRMUGB-VSGBNLITSA-N 522.630 5.053 50 10 KKGE C[C@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868208318 ZWXNHUUILLRJKH-OAQYLSRUSA-N 512.708 6.329 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868301481 PQWILNNHJJMSIT-UHFFFAOYSA-N 535.633 5.942 50 10 KKGE CC(C)[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414992 SHFIDYQTWJPAFV-NDEPHWFRSA-N 512.082 7.874 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4cccc(Cl)c4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433623 OPRTWRIBKCOYJC-UHFFFAOYSA-N 561.542 7.132 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2)cc1 1868544458 GFARNUUXLWVCIT-HHHXNRCGSA-N 556.135 7.989 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)\c2ccccc2)cc1 1872746723 VCPBSPXLFVGZOA-ZCKZALKTSA-N 515.432 7.615 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1OC 1872781399 DDMAOLMHZKHDRE-RGVLZGJSSA-N 523.441 7.777 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CBr)OCc1ccc(Cl)cc1I 1901596956 PODSVMVXTDMWNT-INIZCTEOSA-N 518.617 5.140 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)Br)cc1Br 1914635972 CSSGNSQMKXBJOV-CYBMUJFWSA-N 540.115 5.494 50 10 KKGE Clc1sc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)c1Cl 1925587637 LCZANRKNQBSJJP-MRVPVSSYSA-N 516.840 7.404 50 10 KKGE C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(CC=C(C)CC[C@@H]1Cl)C3=O 1933223656 TUASWIIAAPWHMO-UNZKAFMDSA-N 513.845 5.836 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CO[C@H]3COC[C@@H]23)c1Br 2040326920 ULRMTMRDSXQOPQ-SKHQTKALSA-N 525.882 5.133 50 10 KKGE CC(=CC(C)C)[C@H](C)/C(=C1\CCC[C@]2(C)CCC[C@H]12)[C@@H]1[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]2n2c(=O)c3ccccc3c(=O)n21 2065336348 BKBXDVORXBDXJZ-QUUVXAQNSA-N 645.017 9.975 50 10 KKGE Cc1sc(Br)c([C@@H](Br)Cc2ccccc2I)c1C 2082882758 BNFZDXIFEVIOAS-NSHDSACASA-N 500.037 6.411 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111648591 VVIYURCJYFBLHK-GZMMTYOYSA-N 501.456 7.578 50 10 KKGE CCC[C@H](C(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467759 BUIRPVBHBVKFHL-XLKFXECMSA-N 540.359 8.089 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12CCCC[C@@H]1C2 2141468884 OVZGJTGBWRLQIV-FNSHAYQCSA-N 536.327 7.597 50 10 KKGE CC(C)(C)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470082 YNHFNXYRKFMRDZ-FWXDICJISA-N 538.343 7.699 50 10 KKGE Clc1cc(C[C@@H](CBr)c2ccc(Br)cc2)ccc1I 2142940722 PQWFMAPLMABGCZ-LBPRGKRZSA-N 514.426 6.428 50 10 KKGE CCn1ncc(Br)c1COc1c(Br)cc(Br)cc1CBr 2150695146 KYJUABNHXHKLIZ-UHFFFAOYSA-N 531.868 5.664 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)cc1Br 2201068686 HOPVCUFJGBNSQU-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206397248 HCCYKPXCQSAMQD-NSHDSACASA-N 594.736 7.668 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206409848 SVMURLSUGRVJSG-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE COC[C@@H](C)OC[C@H](Br)Cc1sc(Br)c(Br)c1Br 2222471716 MITJUQRBZNSLRF-RNFRBKRXSA-N 529.914 5.393 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)s1 2229318155 QOFUQUBJWACMQQ-LLVKDONJSA-N 617.220 8.197 50 10 KKGE Brc1csc([C@@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229717414 DYUJEGMGCKQHBC-NSHDSACASA-N 531.889 6.455 50 10 KKGE COc1c([C@H](Br)c2c(Br)sc(Br)c2Br)csc1Cl 2256857319 AJCNPKPYCJHZQJ-YFKPBYRVSA-N 560.352 7.243 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263526647 RXUFRHPENWWLJO-LBPRGKRZSA-N 501.838 6.554 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1cc(I)ccc1Br 2278029837 ZNPBYRGQLNHSKY-CYBMUJFWSA-N 548.490 7.421 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288346030 VSHVTXZJRBESHV-LLVKDONJSA-N 537.793 6.876 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198283 QGMJQOIVFQUJKF-JOCHJYFZSA-N 591.289 6.960 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC(C)=Cc3ccco3)nnc2-c2ccc(Cl)cc2)cc1 2293730000 HFDRZYUTENTASD-UHFFFAOYSA-N 522.030 5.877 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(C)cc1 2294619927 NCHUCDUFVVTMEX-UHFFFAOYSA-N 513.229 7.172 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=CC(Br)=Cc2ccccc2)cc1 2297451088 GZYJQDOVYJGLBX-UHFFFAOYSA-N 545.481 5.842 50 10 KKGE COc1cc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 2297672147 KMKYUDVSLLABCT-AREMUKBSSA-N 580.637 5.397 50 10 KKGE N#CC(=Cc1ccc(Cl)cc1)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 2297713399 VBNMZJWNYNDCID-JOCHJYFZSA-N 540.757 5.841 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Br)cc1 2313518190 REXFIIWWPWSEPS-UHFFFAOYSA-N 570.281 6.962 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1)C(=O)NCc1ccccc1 2313565280 DNEAXYGNIMYBPE-UHFFFAOYSA-N 544.218 6.153 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc2ccccc2c1 2313567895 PBTXUCDJDJVIST-UHFFFAOYSA-N 517.629 6.073 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314447797 BTXRISDXDDAAOO-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE CCc1nc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)s1 2314491921 QRZUSRHYBPNYLR-KRWDZBQOSA-N 501.671 7.138 50 10 KKGE Clc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1I 2314492363 WNDJLCUEFJAJHM-HXUWFJFHSA-N 592.496 7.770 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)Nc1cccc(Cl)c1Cl 2314533354 QLOXVYKTEIUNFU-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592963 FDHAFFQMOUSTOP-LYZGTLIUSA-N 509.675 6.115 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 2314634560 IGZROCOJHYSIRE-LJAQVGFWSA-N 510.590 5.838 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 2331255931 KLKBBHLFRBNLGJ-HNNXBMFYSA-N 517.876 7.829 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(CC)cc3Br)n2)cc1 2331305594 XOXCXHGXWUHSPW-UHFFFAOYSA-N 513.457 7.186 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)n1C 2337324409 UGIDTBRPOOFNAO-JTQLQIEISA-N 519.832 5.639 50 10 KKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCO[C@H]1C1CC1 2349839643 JJRHVLWKYVEDGV-GJZGRUSLSA-N 500.012 5.176 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)[C@H]2CC[C@H]2C(F)(F)F)c1Br 2362239448 YCSVOTXCZCQXIM-OBXARNEKSA-N 503.353 7.029 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362240710 QHAVTRFFWNZJKI-CYBMUJFWSA-N 552.834 7.245 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1C(F)(F)F 2369433304 MMTPJYFMEGORNR-OAHLLOKOSA-N 509.160 5.568 50 10 KKGE Clc1ccc(I)cc1CO[C@@H](CI)c1ccccc1Br 2380346605 PUCTZCGOQBDWED-HNNXBMFYSA-N 577.425 6.400 50 10 KKGE N#C/C(=C/Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 1856135 HHYPXGOVLGJNMS-JXAWBTAJSA-N 520.839 7.434 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 38606839 ZLMPAFPTHFEJDY-ZVHZXABRSA-N 522.536 5.463 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678880 ZTACGBHCJOABHI-RUZDIDTESA-N 505.368 5.214 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)c1 38686627 PQWYUPGFMUIWOB-PMERELPUSA-N 518.569 6.020 50 10 KKGE CN(C)CCOc1ccc([C@H](c2ccc(OCc3ccccc3)cc2)[C@H](CCCl)c2ccccc2)cc1 97974037 PTYHAUDPISYCIX-CZNDPXEESA-N 514.109 7.751 50 10 KKGE N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C/c2ccccc2Cl)[C@@H]1c1ccccc1Cl 98064691 GLDDDOXZJFHTAG-OBMPQXBHSA-N 500.429 6.655 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br 100173388 SZVWGWCMIQDYRC-UHFFFAOYSA-N 584.536 5.790 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1 100186659 PXEQLVNDQCKPPO-UHFFFAOYSA-N 558.498 5.276 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240899 HNMHANWOMUCLRN-UZEPBSNMSA-N 546.490 5.754 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101332267 CAPYYOLPVOSAFD-JVWAILMASA-N 535.003 5.994 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362603 DTYZTPANVUOVQW-MGBGTMOVSA-N 546.623 6.592 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367274 MAGFEDBBIDBKPE-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101368076 CRRLMGCGNUJAIE-XIFFEERXSA-N 548.639 6.784 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101371765 CUHMYZDFVONPHD-SANMLTNESA-N 525.388 5.985 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 101372211 OGRYHZYZFIJKNS-WJOKGBTCSA-N 556.659 6.879 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101373187 PVVIMSKLXRNIRU-OAQYLSRUSA-N 560.475 5.764 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc21 101378271 PNHIVXQHJXRGNZ-QLRBWNPDSA-N 536.672 7.390 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381523 KDVJNGSONKKYLS-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388545 QFOXYZYPAUJULP-MPWBQTRNSA-N 635.160 8.452 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101395428 HFWLDGNEHQBHFK-PMERELPUSA-N 566.654 7.373 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399463 FAZKNKCKCKNPFV-JGCGQSQUSA-N 604.634 7.522 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)OCC)cc1 101687960 ZKVGRXDRAWBZLI-HMMYKYKNSA-N 553.478 7.079 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCC(=O)c1ccccc1 102923927 WWAYLEGJTNQKOC-CIAFOILYSA-N 531.431 6.907 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C(=O)OCC)cc3)N(c3ccccc3)C2=O)cc1 102973443 DKCPZYKAAGGIEI-OAUQLRMZSA-N 569.639 5.105 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 103878728 GSBGFKMFKZVXNG-KVSWJAHQSA-N 548.220 6.854 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)cc1 104990823 ZKKAEUZGKQCPSG-COOPMVRXSA-N 514.464 6.079 50 10 KKGE O=C(CCCSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1cccc(Br)c1 105681718 TWOMHABEJLEBFJ-JVWAILMASA-N 540.508 6.660 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 108929104 FAWPWLRFWDBXTJ-MOHJPFBDSA-N 574.662 6.999 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1 109870044 DPIYGRVAIARCQL-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE CC[C@H](Br)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920998 FYWPUSMWQOIDNY-RAISQODSSA-N 535.651 9.113 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cc(Br)ccc1Br 127773247 RCGGZZBHJXIZQY-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 132021854 PLJLBHSLYNGQIP-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(OCC)c2)cc1 150431732 QVWBIMYBZABQPO-DVMDLWDRSA-N 636.914 6.285 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150576546 YFJMEEPNWGCJTR-ROPCREHHSA-N 632.725 7.971 50 10 KKGE C[C@@](CI)(OCc1ccccc1Br)c1ccccc1Br 162553345 LLZNORPLNZNPGT-INIZCTEOSA-N 510.007 6.079 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 163346040 JSVJZAGSKOBWSU-QQMJPZKZSA-N 642.328 5.701 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 163795953 XZULAYRVFSLBQM-ODNPBWNPSA-N 633.373 8.865 50 10 KKGE ClCc1c(Br)c(Br)c(Br)c(Br)c1Br 168766186 UJJSQULCWJOFRO-UHFFFAOYSA-N 521.066 6.238 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214313754 KHLOUVMCEVYXGU-WWINXXQNSA-N 541.611 5.359 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 214315115 ZJTDBOWLDFJMAT-YUMHPJSZSA-N 518.573 5.632 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214316496 NBNITAQFROSEQA-MNBJERMJSA-N 584.607 6.643 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)sc2Br)c(OC)cc1Br 234924111 NKPIYMPRXAQNBO-LBPRGKRZSA-N 549.904 6.537 50 10 KKGE O=C(CCCCCCCCC(=O)NN=Cc1c(O)ccc2ccccc12)NN=Cc1c(O)ccc2ccccc12 254593808 OQWDSDKMVLLJOX-UHFFFAOYSA-N 538.648 6.125 50 10 KKGE CCC(C)(C)C(=O)O[C@H]1C[C@@H]2C(=O)O[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)[C@H]2Cl 575232052 DDCCFIREQZTEMS-DLQVLXGCSA-N 597.265 6.572 50 10 KKGE CC(=O)OCC1=C[C@@](C)(COC(C)=O)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)F)CC[C@]43C)[C@@]12C 685945378 ITAYCTQXGVVVGM-ROZTVBMCSA-N 556.759 7.393 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(Br)cc2c1OCCC2 688412380 OPINAIMIYAWZBR-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE Fc1cccc(F)c1C[C@@H](Br)c1ccc(I)c(Br)c1 721572116 KHHJGGSBHFGRNW-SNVBAGLBSA-N 501.934 6.011 50 10 KKGE O=C(NCC1(CBr)CCCCC1)c1ccc(I)c(Br)c1 721574242 XBDSTOURXNZEQR-UHFFFAOYSA-N 515.027 5.129 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1F 721615059 QUGVPPCMRRBDKZ-LLVKDONJSA-N 584.793 6.718 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 725411809 LYFKAVCWNBZZIU-AREMUKBSSA-N 547.449 6.154 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1Cl 1084016243 SUIAZPAKFYHVAO-UHFFFAOYSA-N 590.123 8.186 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 1084106548 UXRXGLOJVLVGCC-XMMPIXPASA-N 659.202 7.460 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1C#N 1084213152 YNJCABNICMAQGR-GDLZYMKVSA-N 541.648 5.627 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1cccc(Cl)c1 1084288059 NRYBNFMYGRCAHY-UHFFFAOYSA-N 559.028 6.258 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 1084356131 LTCZKCAOBFKXOH-UHFFFAOYSA-N 533.657 6.087 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)SCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084373286 JCJLEDWCGGEXGK-KRWDZBQOSA-N 547.902 6.462 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4ccccc4C)c3C)sc3c2CCCC3)cc1 1084398067 MLFUIGGGWLXIQU-XIEYBQDHSA-N 548.712 7.449 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 1084451657 ZIHLAQZUKXHFMH-JOCHJYFZSA-N 625.155 6.517 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 1084485888 SXUWHSFGAVYWPQ-RUZDIDTESA-N 511.018 5.680 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1C 1084536838 UFHIMOJRMZZXSW-UHFFFAOYSA-N 569.547 6.796 50 10 KKGE Cc1c(C=NNC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(I)cc1 1084616216 WTCVTJQHTFQQRF-UHFFFAOYSA-N 572.244 6.129 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)NN=Cc1cc(Br)c(N2CCCC2)o1 1084630257 FRDJKKRBPYEAHW-UHFFFAOYSA-N 601.093 5.245 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c(C)c1 1772747799 RDZYKZCMFHURJW-UHFFFAOYSA-N 507.406 5.447 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687918 DAQONCKHZWRDOW-GDLZYMKVSA-N 555.078 6.386 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OCC 1865691010 HBJKRHBXMRXCBY-HSZRJFAPSA-N 523.431 5.603 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865691105 JGXDKLVMWTURRH-LJAQVGFWSA-N 552.650 6.923 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OC 1865692267 KRYUQULOZRMPIH-DEOSSOPVSA-N 567.484 6.002 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865692604 DGAHPBROOPMRBH-RUZDIDTESA-N 546.549 6.395 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OC 1865695000 HPKFQAKHPIRISY-MUUNZHRXSA-N 520.633 6.644 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865695984 AZMFOUVCZRFVNZ-HXUWFJFHSA-N 515.795 5.222 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)c1OCc1cccc(C)c1 1865706112 NWIFENYNNUZICM-DEOSSOPVSA-N 546.549 6.314 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865711706 GGICRQSVGVMAHP-PMERELPUSA-N 558.613 6.543 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C)c1-c1ccc(Br)cc1 1866129446 UKXNJWFHVRNDSY-SFQUDFHCSA-N 574.294 6.971 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2ccc3nc(O)c(-c4ccccc4)cc3c2)cc1 1866935160 OGFBHIOMDBXCIR-WJOKGBTCSA-N 590.680 6.618 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)c1 1868341907 CZCJKWVLHGADGV-GDLZYMKVSA-N 521.690 7.252 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@H](c2ccc(F)cc2)O1 1868456426 OBSWHDYVLPGBJV-AVRWGWEMSA-N 515.589 6.705 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)c1C 1872754275 KXECYCMSCPXULP-PNHLSOANSA-N 520.614 6.185 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)c1ncc(I)cc1Br 1882959071 VFOZQXDUGAPXOA-LLVKDONJSA-N 510.011 5.239 50 10 KKGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915173333 XGNSHAZTUOIOFS-GOSISDBHSA-N 507.675 5.467 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915303195 PWVITSANMYKLHI-SFHVURJKSA-N 565.087 6.116 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1915770789 GAVIXQGUXWXFOX-UHFFFAOYSA-N 540.115 5.576 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2csc(Br)c2Br)c1Br 1922931395 BVCCRFZYWOTJOP-ZCFIWIBFSA-N 588.804 7.652 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1c(Br)cccc1Br 1924063171 NHZCJVJITMGWAI-CLAHSXSESA-N 512.865 6.609 50 10 KKGE COc1ccc(Cl)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924600485 QPSYOFZDQVXPQA-VIFPVBQESA-N 554.323 7.182 50 10 KKGE COc1sc([C@H](Br)c2csc(Br)c2Br)cc1Br 1946725282 CDJPQRGPHGUAER-SSDOTTSWSA-N 525.907 6.590 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1995477970 ARZFSRUZJMVEJN-LJQANCHMSA-N 506.653 6.366 50 10 KKGE O=C(NNC=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 2042444874 GGLDDOKWWGTANZ-UHFFFAOYSA-N 641.027 5.622 50 10 KKGE Cc1ccsc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495763 MHZKZCVBLXJBDR-NSHDSACASA-N 538.324 7.435 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2086140071 XOQDBKVVFMJCMP-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c1Br 2138870493 JEOGINOWFLMPLJ-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCC[C@H]2C[C@@H]21 2141468990 PWYQLRNXTFGOOT-WEKTVSAVSA-N 536.327 7.453 50 10 KKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469308 UNPYISQVHFONOH-XSSZXYGBSA-N 584.766 6.988 50 10 KKGE C[C@]12C[C@]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2141472172 ALRKOUHAFVDCAO-AVGNSLFASA-N 538.299 6.586 50 10 KKGE CC1(C)CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141473218 MNNVCIVLNDJICI-RDDDGLTNSA-N 582.794 7.999 50 10 KKGE Clc1cc(CC[C@H](Br)c2cccc(Br)c2)ccc1I 2142941790 YIODYKZJPNODKZ-ZDUSSCGKSA-N 514.426 6.776 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)CCCC3)c(I)c1 2207272659 PAORNSJLAMZYLO-KRWDZBQOSA-N 506.019 6.417 50 10 KKGE Cl[C@@H](COCc1ccccc1)Cc1sc(Br)c(Br)c1Br 2209348443 AWHZNXHMAGBLSY-SNVBAGLBSA-N 503.481 6.402 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)s1 2225615065 CEZVRQICIIHEQK-SNVBAGLBSA-N 536.884 6.616 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1cc(Br)c(Br)s1 2242672094 BIFGXHMNRQZEPT-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)cc(Br)c1 2277957628 WBZCRYCBJMQUAU-CQSZACIVSA-N 532.295 7.259 50 10 KKGE Cc1ccccc1C[C@H]1SC(=C(C#N)C(=O)NCCc2ccccc2)N(c2ccc(Br)cc2)C1=O 2293198153 AMPKMCWIQPESNG-RUZDIDTESA-N 546.490 5.543 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)c([N+](=O)[O-])c1 2295178733 SSIQZTKMXXBSMK-UHFFFAOYSA-N 529.530 5.070 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2 2296500551 YBDBLNCJYIXFQY-UHFFFAOYSA-N 543.472 7.696 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 2313557243 XVFVJEGNRWOADM-UHFFFAOYSA-N 506.562 5.649 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570834 HCHDMQOBBFVASI-UHFFFAOYSA-N 615.536 8.296 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c2-c2ccccc2)cc1 2313571378 UWPANVNWVCSQGG-UHFFFAOYSA-N 606.509 8.840 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C1 2314433677 QKVYPLRCRLEWED-DHIUTWEWSA-N 590.709 5.919 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc(O)c2ccccc2n1 2314433741 RUCYSTHDYIXUNL-UHFFFAOYSA-N 539.570 6.970 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591682 BCIMUFXISDEFQR-XMMPIXPASA-N 504.011 5.804 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593027 GBTSGCHUCDTZFG-RUZDIDTESA-N 518.038 5.481 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 2314646529 ALULGSLHDFFBOY-SSEXGKCCSA-N 646.769 5.943 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2331416374 CXOPWUHUENYVBR-UHFFFAOYSA-N 513.449 8.913 50 10 KKGE BrCC1(OCc2cc(I)ccc2Br)CCCCCC1 2341856949 OKGCZSNMSOLYCJ-UHFFFAOYSA-N 502.028 6.058 50 10 KKGE COc1ccc2ccccc2c1/C=N/NC(=O)COc1c(C)cc(Br)cc1Br 12483134 BYUYKQQTZCYEHI-BHGWPJFGSA-N 506.194 5.211 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 29491570 GHSPBOKNCLDNFY-QQTULTPQSA-N 574.710 6.385 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)cc1 29491740 VYKTUKNPHJFERB-OZFAVLSVSA-N 579.726 6.060 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1 38655457 IUDPODDDXZTRCU-RUZDIDTESA-N 509.389 6.466 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1 38656051 HHJAOSRBNOQMNQ-MQNRADLISA-N 509.389 6.147 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 40529642 FOPQAFFZDGTZQB-XMMPIXPASA-N 509.389 6.610 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1 40794912 DAQCXOHQSSDQFU-UHFFFAOYSA-N 501.594 5.067 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 40870068 CBCDMQXSTJSJRM-YBFXNURJSA-N 511.361 5.210 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 58894498 HMQJYZDKLJNXNK-GCFUEJLLSA-N 516.411 5.358 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](CN=C=O)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 72131157 FWULWQNHPKVVEM-VNVNJIDVSA-N 679.605 5.621 50 10 KKGE in-vitro CCCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100163948 KSHRLZXLECKBMR-LBPRGKRZSA-N 563.301 5.038 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 100234750 GJHDVBMYBXNRIY-OTQJEQPISA-N 561.476 6.544 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4s3)c2)C1 101014172 HGMRIEWTIMRADC-LHZDPGHSSA-N 579.751 6.880 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101334353 PCXYUZOVDPGQQC-HGMDYVATSA-N 577.084 7.162 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 101336037 YTZCTIKXNPRAID-XLKFHUSGSA-N 536.632 5.190 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 101336606 HSZFTCTVIREAAV-VUTHCHCSSA-N 607.692 5.099 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 101340748 KMRJLDSGTJCINN-WGOQTCKBSA-N 549.030 6.302 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381202 DQKIMMJMKZNCOL-PMERELPUSA-N 618.429 6.683 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384295 WVQNMTWKACIRMD-ADSBAMQRSA-N 554.549 6.135 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386932 AKVGMKUCHMGDNP-YTTGMZPUSA-N 566.585 5.788 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101393141 CTBULVYLVJOLPK-MUUNZHRXSA-N 589.113 7.878 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 101396583 PDCIVGBLNLJYQC-SSEXGKCCSA-N 536.628 7.364 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1 101397175 YJNWGUDUUCGMTN-KYJUHHDHSA-N 540.616 5.999 50 10 KKGE C[C@@H](c1ccccc1)N(CCN([C@H](C)c1ccccc1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 101629361 TYRRWPJYBCYJPG-TYHGNQNSSA-N 636.760 9.209 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 101775382 FHWVIQGZBDGIAP-XMHGGMMESA-N 526.998 5.085 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103789463 MAVALCJSMBQELE-KGENOOAVSA-N 571.302 6.591 50 10 KKGE Cl[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 106385542 PCQHHGZMQLZGQM-PAISCNLLSA-N 559.102 6.923 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1OC 128540970 ACKXNRIHAOEMDJ-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 150429260 NCOBOEKTWBEXNZ-PCYMAAINSA-N 671.757 6.649 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 150430353 GNRVQDFHAJKZSZ-PCYMAAINSA-N 627.306 6.540 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 150482643 KSIKWDSCCQXNBV-MHZLTWQESA-N 633.940 8.878 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 150484344 ZIIOTIKZRSULNQ-YTTGMZPUSA-N 633.484 6.792 50 10 KKGE CCCCCCCCCCCCc1cc(B(O)O)c(CCCCCCCCCCCC)cc1B(O)O 195955905 DJEMIKQUMRVMLD-UHFFFAOYSA-N 502.398 5.973 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 205647829 BHCWRRVMXAERPR-CQXQUNSSSA-N 500.598 6.974 50 10 KKGE COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2[C@@H](C)P(C2CCCCC2)C2CCCCC2)cc1C 206532326 SXAUTFMKPORSHG-GDLZYMKVSA-N 589.761 9.623 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC)C(=O)C(C#N)=C2C)cc1 214284387 KKPDXDRKUPXNKF-RRAHZORUSA-N 538.648 5.737 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 214389754 OSJRRTGEHRPJEN-CFRMEGHHSA-N 522.557 5.185 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 217029703 LCLQWXMJTXYGQR-OYHOCKPGSA-N 508.710 5.522 50 10 KKGE COc1ccccc1NCc1nnc(SCC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)n1-c1ccc(Cl)cc1Cl 252617495 KUFDWJGKSNMNFS-UHFFFAOYSA-N 681.356 5.814 50 10 KKGE C/C(=N\NC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/NC(=O)c5cccc(Cl)c5)CC[C@]4(C)[C@@H]3C[C@H](C)[C@@H]12 253565084 HHBZLPGKWFBREO-YNIAWAKZSA-N 619.637 8.320 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(SC)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254300563 CGPIHRNUTYQHJI-UHFFFAOYSA-N 545.734 6.205 50 10 KKGE Brc1cccc(C[C@H](Br)c2cc(I)cc3c2OCC3)c1 312421674 YSETUAPBOPSMFD-HNNXBMFYSA-N 507.991 5.667 50 10 KKGE Clc1cc([C@H](Br)c2cc(I)cc3c2OCC3)ccc1Br 380245329 NFKDUDGLYQDNOM-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H]2C(=O)O[C@@]3(C=C[C@H](C)[C@H](CC[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@@H]13)[C@@H]2Cl 504374660 DDCCFIREQZTEMS-SPPNVLSSSA-N 597.265 6.572 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1c2ccccc2CC[C@@H]1c1ccccc1CO[Si](C)(C)C(C)(C)C 616596123 VFIYPSIRQFNWRP-MUUNZHRXSA-N 511.899 8.724 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3scc(Br)c3Br)c2O1 720043098 NBBZIEDADCUAGO-UPONEAKYSA-N 545.916 6.843 50 10 KKGE O=C(Nc1cccc(Oc2ccccc2)c1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238170 QLRFCAXFJBHQIC-VWLOTQADSA-N 544.982 7.511 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)cc1 725438971 OCFQWHOUHZBOLO-MGBGTMOVSA-N 622.563 7.936 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1F 1083887295 GXDRZUTVKWMPJL-UHFFFAOYSA-N 590.243 6.839 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1cccs1 1083994067 UFVLVOJJEAVFSY-UHFFFAOYSA-N 638.268 6.453 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084242447 RFOJZPYOASWULZ-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1 1084428811 UBPYYFXDJAHKKI-DEDYPNTBSA-N 524.358 5.733 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)c2C)cc1C 1084526558 IFPNOKNDJKYDBC-UHFFFAOYSA-N 528.678 5.441 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(I)c1OCc1cccc2ccccc12 1084531862 YUSMZYGLHZCRQJ-UHFFFAOYSA-N 681.530 7.041 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 1084540233 PAWSMJDZPDBILL-UHFFFAOYSA-N 521.042 5.337 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3F)c2C)S(=O)(=O)c2ccccc2)cc1C 1084653932 XPZDPISKTGBVHQ-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](N3C=N[C@H]4C(=O)NC(NC(=O)COc5ccc(C(C)(C)C)cc5)=N[C@@H]43)[C@@H](OC(=O)COc3ccc(C(C)(C)C)cc3)[C@H]2O[Si](C(C)C)(C(C)C)O1 1565534949 FYWQQKYFOAURRE-OJEILOGHSA-N 908.255 6.973 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747699 PZNJHODPUBDCOG-UHFFFAOYSA-N 585.458 5.563 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c(Br)c1 1772749697 XRNNOVPJRFDMHF-UHFFFAOYSA-N 570.487 6.900 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@@H]([C@@H](C)C(C)(C)O[C@H]1CCCCO1)S(=O)(=O)c1ccccc1 1848433548 FZTPBALCQSLXDA-VJAZQDRRSA-N 769.218 10.984 50 10 KKGE CC[C@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 1848665490 MYLPOKATQGVMSF-YWFKUOBKSA-N 644.617 10.347 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865689105 JWXVOYXZKWDMNU-LJAQVGFWSA-N 575.496 7.051 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865693885 MKTTVUDOVWYLBO-LJQANCHMSA-N 506.887 5.750 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694125 QCEJZSNVGUVKSX-GDLZYMKVSA-N 538.623 6.219 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865697304 ZGRUOUIJCLHURK-FQEVSTJZSA-N 517.786 5.363 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865703267 RWXJMBFKDJUUOF-XMMPIXPASA-N 517.416 6.853 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703620 XGXNPLCNQBEDCM-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866703578 SFESCNHTDWOIPT-WDYNHAJCSA-N 552.725 6.038 50 10 KKGE COc1cccc([C@@H](C)CC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867098078 XEMKPXXDDJZNJP-PPHZAIPVSA-N 531.634 5.053 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@@H]3C2)n1 1868253265 DSYKSMQXUYUCKS-QHCPKHFHSA-N 549.100 5.317 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(F)c2)n1 1868253885 XCZFVFPOZIXIFH-HKBQPEDESA-N 571.678 6.291 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)nc(-c3ccc(F)cc3)n2)cc1 1868455916 HBTSOFFZJZCYPA-DEOSSOPVSA-N 516.045 7.464 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)c1 1872749873 LENRUKVIZOTUDD-QVTSOHHYSA-N 515.638 7.887 50 10 KKGE CC[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 1911024440 UUJJJLZNRJFSBC-ATRFCDNQSA-N 511.899 6.429 50 10 KKGE CC[C@@H]1OCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583411 JNNZHBHWGDBJJO-CHKWXVPMSA-N 511.899 6.287 50 10 KKGE CSc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924591216 OJXWFZQFVLDKJN-VIFPVBQESA-N 535.946 7.242 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)sc1Cl 1950178077 PXFAXDRTGKBNEJ-RXMQYKEDSA-N 564.771 7.888 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012756 KJASBUNXPWZRDN-WEBVUANFSA-N 714.752 12.441 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)s1 2050465294 SFLACAYQRPEIOF-LBPRGKRZSA-N 504.000 6.301 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cnn(C)c1I 2082378492 AKFLCJYIIASXCA-LLVKDONJSA-N 504.391 5.233 50 10 KKGE C[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085494778 NKKQCAXIFFFRNA-VHWMUFPASA-N 592.767 5.606 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2csc(Br)c2Br)c1Br 2136384157 MUUJZFKFZMECOD-GFCCVEGCSA-N 552.351 7.743 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCOCC1 2141468722 MXAITDFJWJLMSY-WPPNPWJKSA-N 540.315 6.833 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccccc2I)c1Br 2141470801 KYHNXWCUUGHGNT-NSHDSACASA-N 688.615 7.826 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CC[C@@H](CO1)C2 2141471522 SJTXQFBDYKBWLY-GBRJYTSESA-N 538.299 6.586 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Cl)c(Br)c1 2203005191 YEDBAPIXXFXYDX-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE CC1(C)OCCO[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399990 NYOQDNHUBWXWPX-NEPJUHHUSA-N 600.765 6.367 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2232521711 VAWILNHWXUBFLZ-NSHDSACASA-N 634.158 8.261 50 10 KKGE CC1(C)CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162324 UUTVUICWTJOVDO-RNCFNFMXSA-N 598.793 7.520 50 10 KKGE Clc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c1Br 2256125829 RCIBFMZRGXHLAF-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE FC1(F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2266147545 ZMLUBCJKZKQYTE-VDTYLAMSSA-N 543.891 7.297 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(F)cc1Br 2267242943 SDLPAEUKIZKVQB-MRVPVSSYSA-N 515.826 7.295 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccccc1I 2272722388 SJZVZLOFQFPTDT-GFCCVEGCSA-N 522.352 6.423 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2283568709 QIGWUAVTDRPJOG-LLVKDONJSA-N 589.707 8.152 50 10 KKGE COc1c([C@@H](Br)c2csc(Br)c2Br)cc(Br)c(C)c1C 2284595788 QZHWAUAFUFFNBV-LLVKDONJSA-N 547.932 7.145 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(COc2cccc(C(F)(F)F)c2)o1 2295669932 NKIXTCSVNDNWHT-UHFFFAOYSA-N 518.513 6.395 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 2296566831 NREHWXSTCZQXEU-UHFFFAOYSA-N 515.466 6.592 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c1 2296849710 BXIHPTDYVLIRLW-UHFFFAOYSA-N 550.644 5.283 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 2297369411 XFYKIMVZLWWXMW-UHFFFAOYSA-N 501.995 6.554 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2297458523 AAEPMFMYVZXNMW-VWLOTQADSA-N 536.484 6.087 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1 2299523401 SYOWLDXPDGUTFP-HHHXNRCGSA-N 538.279 8.091 50 10 KKGE Cc1ccc([C@@H](Br)c2sc(Cl)cc2I)cc1Br 2300953299 HXZHQZSJFPFWBI-LLVKDONJSA-N 506.428 6.561 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521275 CAEAKFCDFYUKPF-UHFFFAOYSA-N 591.245 7.187 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2ccccc2c1 2313570898 ITNLSXDYJXNHBD-UHFFFAOYSA-N 629.281 7.884 50 10 KKGE COc1cc(C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617080 QJDJRMZWMIUQJA-UHFFFAOYSA-N 511.405 6.116 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 2314634491 ZIBFKADUEVEGCX-PMERELPUSA-N 520.972 6.969 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 2314643138 DSROXESRPMPSGK-UMSFTDKQSA-N 592.623 6.649 50 10 KKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324602945 BVIAPURDQUPKCZ-UHFFFAOYSA-N 522.649 5.397 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OC)c(OCc2cccc(Cl)c2)c1 2328795096 JYRVOJAUDPNRCM-SBUREZEXSA-N 504.027 5.317 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281530 LLXSYZIJILQJCH-UHFFFAOYSA-N 520.792 6.786 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)CC1=O 2331406469 PRPFUIDVPYDVEB-HXUWFJFHSA-N 509.631 6.689 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2365188917 PNZJGFCRMUXIOI-HXUWFJFHSA-N 555.104 7.592 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2c(Br)ncn2C)c1Br 2365195451 BOWRIWSOPLJDNF-SECBINFHSA-N 531.868 5.509 50 10 KKGE C[C@@](CI)(OCc1ccc(I)c(Br)c1)c1ccccc1 2377622059 NFXZDPSEXBQTAC-INIZCTEOSA-N 557.007 5.921 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(F)cc1 8451649 BBZQBALLRZLNSQ-UHFFFAOYSA-N 637.243 6.681 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(Br)cc2)cs1 28356473 OHVAVNJSQCOVMP-LFIBNONCSA-N 501.327 7.916 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4[nH]3)c2)cc1 35446187 MJKJNXBQZPPPIK-ITYLOYPMSA-N 507.597 7.367 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 38684731 OHNYCTAAQLEGLY-SSEXGKCCSA-N 526.633 6.728 50 10 KKGE CCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OCC 40951470 VDZCWRHCJFRJQM-WPWMEQJKSA-N 505.453 5.853 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1OC 41013216 HRKDUJPROYYDIM-SFQUDFHCSA-N 512.429 6.088 50 10 KKGE CC(C)(C)c1ccccc1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100208497 OYVVXIAFIQTGNF-UHFFFAOYSA-N 564.274 5.268 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212917 HCWHJEQKGIXEOY-UHFFFAOYSA-N 597.535 5.149 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232751 JNTCEJPJGWHGFG-XDHOZWIPSA-N 522.355 5.881 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccccc1 100883502 MYCZGIDFPVXHBU-DIBXZPPDSA-N 528.587 6.481 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101335595 XFCXLJQSUSMBHD-TWKHWXDSSA-N 572.665 6.056 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 101335618 DFRXUEDQATYFGO-TWKHWXDSSA-N 558.638 5.747 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 101340791 JDGNSFBYIPQXCO-WPWMEQJKSA-N 565.098 7.097 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101367694 UQNUUVCJFJOPEA-DTDRWLINSA-N 552.671 7.009 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OC 101369107 WTVSMKLTPGHWRQ-RUZDIDTESA-N 535.394 5.684 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369376 YGBLHURYEPHBDC-XIFFEERXSA-N 524.576 6.998 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)ccc1Cl 101370339 JOEWOAFIGWUOIN-XMMPIXPASA-N 525.786 5.614 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OCC(C)C)cc5)ccc43)cc2)cc1 101378750 NCXWMBJCCWZLFE-MGBGTMOVSA-N 560.650 7.046 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 101379395 XBPFCQDYKHHTQY-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5[N+](=O)[O-])ccc43)c2)cc1 101381984 UISMBGKGBFEIKJ-WJOKGBTCSA-N 563.566 5.685 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)/C=C/c5ccc(C(C)(C)C)cc5)ccc43)c2)cc1 101382110 CEJBCNNKVBDGJY-YHYYNSAZSA-N 570.689 7.709 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385404 TUNIGDSSGCDMDD-UUWRZZSWSA-N 576.649 6.402 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 101387420 FESRHZJPQBSLMN-SSEXGKCCSA-N 603.458 7.027 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cc6ccccc6oc5=O)ccc43)c2)cc1 101398203 LKFBUBOIRLGCAP-HKBQPEDESA-N 556.574 6.118 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611805 YAIRYHKHIYVLEO-JGRMKTMXSA-N 578.452 7.175 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1 101907063 IFQGDSIDUAUXLQ-NVMNQCDNSA-N 533.647 7.517 50 10 KKGE C/C(CCc1ccc2c(c1)OCO2)=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 102979057 FZXDGHFIPNYYRE-FSGOGVSDSA-N 527.602 5.016 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 103879024 WXYHGNKDVQIGLY-JEPNHJGPSA-N 554.477 8.102 50 10 KKGE Cc1cccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1 164607935 NHFZAHMXWNBYDQ-KVSWJAHQSA-N 715.123 7.056 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205656903 CZGUKHGOSHHKIH-SLYNQVRGSA-N 566.698 7.399 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OC(C)C 205776538 BLOMOMISAILZGM-TYNQNBCQSA-N 632.742 5.552 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Cl)c2)cc1Br 232344919 SXPFGICUCUJDLP-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)c(C)n1Cc1ccco1 252511379 GDTYZMHZHIIXMX-UHFFFAOYSA-N 555.454 5.073 50 10 KKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)nc3ccccc32)cc1 254443299 XNIMJMRXDHEQHB-UHFFFAOYSA-N 508.651 5.438 50 10 KKGE CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3[C@H](CCCCCCCCCBr)CC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 504198412 MQMZNCMIENHRBS-YBARUKPYSA-N 521.580 7.802 50 10 KKGE CC1(C)O[C@]2(CC[C@@H]3[C@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]32C)CN1C(=O)CI 504643151 RWFLLQUFBKGYBI-HNPQVZBZSA-N 513.504 6.188 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 575627166 WPTTVJLTNAWYAO-KAHYZQDXSA-N 505.699 6.379 50 10 KKGE Cn1cc(CC(CBr)(CBr)c2ccc(Br)cc2)c(Br)n1 714089089 OARUHWALTOIBTN-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Cl 721615549 RSXRZMIEOPUABX-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE COc1ccc2cc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c(Cl)nc2c1 725384962 WKWKWFDXLFCZRZ-MUUNZHRXSA-N 531.037 5.435 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725410685 DHSFAXWOJOCATH-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(COC(=O)c5ccccc5)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105672 UQWXKRLLUHBSJO-WTUZXBNESA-N 583.813 8.324 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Cl)cc1 1083918699 AUKYKJAZHADROU-UHFFFAOYSA-N 574.802 6.432 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1083965208 CDSWNRZKYPQLHT-JOCHJYFZSA-N 638.256 5.505 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Br)cc1 1084097662 VJYOFHQFPKSXRH-QHCPKHFHSA-N 515.835 5.954 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1084226783 UGDKWNQSEGSELV-SFHVURJKSA-N 555.441 5.514 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1)c1cccc(Cl)c1Cl 1084260491 HBZIQMOQXWSVLZ-UHFFFAOYSA-N 555.281 5.486 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084497789 DYFDNDDWOCWNCV-HSZRJFAPSA-N 728.321 5.566 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745634 DUJFPRZDODCSOK-UHFFFAOYSA-N 523.549 5.450 50 10 KKGE Cc1cc(C)c(COc2ccc(C=NNC(=O)CSc3nc(-c4ccccc4)cs3)cc2)cc1C 1772754945 BLHDSBWOKLTDMB-UHFFFAOYSA-N 501.677 6.557 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684018 LHRROWWGKOHIRU-RUZDIDTESA-N 508.578 5.156 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865687248 NAOKYCLMZZQFME-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865687759 ZMVWZFIKIHJTMA-SANMLTNESA-N 555.506 6.986 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 1865691004 GZXADILQPIGYEB-JOCHJYFZSA-N 509.404 5.267 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865691256 NWUYYESJHWRRPG-NRFANRHFSA-N 578.294 6.520 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692229 DEJQIOMCRSZQOF-NDEPHWFRSA-N 543.042 6.782 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865695562 DWDIAJYEMPLCCP-MUUNZHRXSA-N 555.078 7.379 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699325 QOCSCINUZPTBBI-VWLOTQADSA-N 552.432 6.020 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703096 MWZBBAAFIFDUIF-RUZDIDTESA-N 530.550 6.364 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703584 BWHAQQNGRGAOIM-HHHXNRCGSA-N 570.546 7.040 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703711 ZZNWCFAHAPYTNA-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704083 MPZGODAMTLRKER-LJAQVGFWSA-N 533.031 7.038 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704226 QQUXQPAQQFFLOL-AREMUKBSSA-N 500.961 5.830 50 10 KKGE CC[C@@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866854746 RZHIMERZQLBLMV-HXUWFJFHSA-N 514.438 5.388 50 10 KKGE CCCC[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867082605 LIAMUDRCVVUBQN-QHCPKHFHSA-N 525.675 5.096 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)c1 1868301127 LLBRTFUGHNJVFI-UHFFFAOYSA-N 514.658 7.811 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414419 MCLSTJPFMOMIFE-UHFFFAOYSA-N 521.090 5.662 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 1872748349 UBNALZQAUUEWIM-JRURIKFDSA-N 511.990 6.164 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(OCCC)c(OC)c3)n2)cc1 1872790919 LRUIEZDLFBYEHY-XDHOZWIPSA-N 513.457 7.223 50 10 KKGE CC(C)(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872792292 QGEDOWCOEAENHG-HYARGMPZSA-N 519.497 9.058 50 10 KKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924571312 QKQZDOKQCNIRKH-MRVPVSSYSA-N 544.353 7.496 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1F 1924584916 DZIPLGUOGYDBKZ-SECBINFHSA-N 521.869 6.967 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Cl)s2)ccc1I 2026132566 JJLGHLBGDHYKDH-NSHDSACASA-N 506.428 6.561 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 2037569125 KIELDCCFMKNOOM-HHCIJAPHSA-N 968.182 6.765 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1cc(Br)ccc1Br 2117895406 RMBSDIXEBNTSNE-JTQLQIEISA-N 503.016 5.325 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1scc(Br)c1Br 2138240402 BLTFQSMNTIZPDC-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE C[C@@H]1CCCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470573 IHFHORYKJOICQQ-DNSOKLHBSA-N 582.794 7.999 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2c(Cl)cccc2Br)c1Br 2201064419 JIFFAUPHARWHEU-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206396098 SFQGZANUTVQTMS-NSHDSACASA-N 723.060 8.479 50 10 KKGE Cc1csc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2224320723 JLYZRZIZORGTQK-SECBINFHSA-N 528.318 8.026 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2252803263 TUFYVWOKAOPXKQ-INIZCTEOSA-N 518.087 5.956 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@@H]1C[C@H]1Br 2256395469 ZHXRNCDOSHGCMF-OYHNWAKOSA-N 538.394 5.917 50 10 KKGE Cc1nc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2272725672 FBPWFOYKCMKODS-QMMMGPOBSA-N 540.847 6.502 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(C)c2C)c(Br)c1Cl 2283557034 ALRYLRUCYIKLQT-NSHDSACASA-N 503.481 7.036 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2283576442 GPRJMVQCKFQIQR-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)cc1OC 2293189780 GQUQZEABJYURHS-UHFFFAOYSA-N 505.640 6.722 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 2293198311 SJCASVRFBODCGU-RUZDIDTESA-N 502.039 5.434 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2295172668 VQCAJNKRNFSTTD-UHFFFAOYSA-N 516.178 6.521 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccccc2)o1 2295869831 CPAOCTROFKXNOA-UHFFFAOYSA-N 547.430 7.160 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2296507018 PMZPNAMFKZDPFM-JOCHJYFZSA-N 522.399 5.653 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458537 NEADWSBCPRCFNL-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cccc(Br)c2Cl)s1 2301084612 VSSRYNOLCDABCY-SECBINFHSA-N 526.846 6.906 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521514 TVJMHHQEJNBIBG-UHFFFAOYSA-N 558.226 7.162 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1C#N 2313545832 IMIWEOAKVALJGZ-UHFFFAOYSA-N 604.448 5.006 50 10 KKGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)c1 2313570807 GPTNKPWECGSHNF-UHFFFAOYSA-N 689.118 7.636 50 10 KKGE Clc1cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314497160 IDWDGRFGZMTTBI-FQEVSTJZSA-N 548.045 7.614 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592125 MFWZKQJMXFYXNR-XMMPIXPASA-N 552.483 6.684 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593518 OJBYYMOPHMOYFK-HSZRJFAPSA-N 507.999 5.074 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 2314620417 PQKDPPNBKZEEQZ-UHFFFAOYSA-N 560.629 6.650 50 10 KKGE CC[C@@H](NC(=O)C(C#N)=CNc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccc2c(c1)CCCC2 2318467359 CSDJVBVOKSNTIX-HHHXNRCGSA-N 506.675 7.237 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1CCCCC[C@@H]1I 2319215417 YNMBQOSRPTWZJA-UONOGXRCSA-N 535.001 5.707 50 10 KKGE CCc1ccc(C(C)=CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 2329515122 RTSCLZNBJYKRJM-MHZLTWQESA-N 515.704 6.282 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331359077 YMVBRPZZJONBBO-QHCPKHFHSA-N 521.642 7.319 50 10 KKGE CCOc1ccc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331397735 ZQPGNGAOUQMULU-UHFFFAOYSA-N 503.407 7.039 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)cc(Br)c1OC(C)C 2331417100 VJWHWOVVJYAPJS-UHFFFAOYSA-N 509.469 7.311 50 10 KKGE Cc1sc(Br)cc1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337097285 LDGYXZZUOWWNPG-LLVKDONJSA-N 511.863 7.465 50 10 KKGE BrC[C@H](OCc1cc(I)ccc1Br)c1ccc(Br)cc1 2367602974 WTDNLXBBHIIYML-HNNXBMFYSA-N 574.876 6.469 50 10 KKGE CC(C)(C)[C@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2377331580 JVGVVCMGKGSWKR-INIZCTEOSA-N 515.071 5.687 50 10 KKGE Clc1ccc(I)cc1CO[C@H](CBr)c1ccccc1Br 2380353309 JYSCIENGGYPPPN-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1888970 WVIUMYYSMPDPNZ-GUNDDFSMSA-N 550.453 5.373 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)cc2)cc1 33480250 FLKMKXLZYZNXIQ-HWIUFGAZSA-N 505.618 6.579 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 38605781 HKEMIECKILNYNQ-UFFVCSGVSA-N 513.421 6.219 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38606986 LPDSPAQYLHBPFU-YDZHTSKRSA-N 502.954 5.703 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 38660167 FONUXANODNJPQH-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686364 SYTBPEYTZNWVGN-SSEXGKCCSA-N 522.988 6.285 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)c1 38686854 VEFXONHSYMKYEV-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59245176 CAVSCDCMHVAGEO-YVLHZVERSA-N 512.747 6.135 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](P(C2CCCCC2)C2CCCCC2)C[C@H]1CP(c1ccccc1)c1ccccc1 80450932 UJOCELPDGJCWDG-UCGGBYDDSA-N 565.719 8.645 50 10 KKGE N#CC(/C(O)=N/c1cc(Cl)ccc1Cl)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 97968940 DSGZYDLXYYXXID-ZUGOUDHMSA-N 573.299 7.470 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(CSc2nc3ccccc3s2)cs1 97984699 WFJMZSYYBHLTRQ-QNGOZBTKSA-N 533.707 7.962 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(Br)c1 100181091 BJVLGBODISNHPN-UHFFFAOYSA-N 542.268 5.039 50 10 KKGE C[C@@H](NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C)c1ccccc1 100922087 VPSLBEBEEITLMB-NZAYIMIOSA-N 508.092 5.550 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100935527 NZZGFMNZNPWDMG-RYGJVYDSSA-N 537.130 6.710 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@](C)([C@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@@H]2Br 100935722 FKKFFJHEXDKKMS-ZQYPPMCESA-N 567.362 6.710 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101246841 MPSVQCJGGCXAKS-DBTLDAOKSA-N 518.038 6.030 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101293521 BLTGVSQLPKYWEM-HKBQPEDESA-N 599.470 7.575 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101334357 QELANEOAWGZUSZ-HGMDYVATSA-N 560.629 6.648 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101336125 YBIIUTUIDMFMMW-PCLIKHOPSA-N 559.464 5.709 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101336472 IBELUPXSZHNHEN-JVWAILMASA-N 531.641 5.839 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 101338160 GKYSCXQDGDKDNN-MWAVMZGNSA-N 542.639 6.163 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 101374263 LVJGGXXCQSRALC-QRNTTWRNSA-N 552.671 6.864 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101375627 RTSHRPCZZNREMC-BHVANESWSA-N 602.731 8.000 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380053 PSUNYPYTULCVSO-SSEXGKCCSA-N 557.433 6.939 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)c1 101383394 AQPBDDPIKSTZIP-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101386980 POVVNDRGHOLZAU-PMERELPUSA-N 536.559 6.159 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101389235 GXAMUULSFHDWNM-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCCC(C)C 101395874 JDMXJELLQAVSTO-WJOKGBTCSA-N 566.654 7.311 50 10 KKGE O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccccc1Br 101486971 HQDBWFXZRJOAIO-UHFFFAOYSA-N 520.347 5.069 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3Cl)CCC4)ccc21 101598570 CZXMTDFYCZEZKE-JGRMKTMXSA-N 539.035 7.092 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 103123115 UDEYGMCEFGDMFW-CKVBZJJFSA-N 522.945 5.452 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc2ccccc2s1 103123945 WRARWGRKBZPEPN-OQKWZONESA-N 553.669 5.234 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 103624988 QSZWTGWCNXTOAV-XMHGGMMESA-N 523.680 6.851 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 105885687 VZJQGSZSRIFDGT-VVABOOEKSA-N 555.082 5.128 50 10 KKGE C[C@H](CCCl)CCOc1c(I)cc(I)cc1I 115235676 LKIAQEOHHZBKIC-MRVPVSSYSA-N 590.408 5.534 50 10 KKGE Brc1cc(Br)c(O[C@H]2C[C@@H](Br)C23CCCCC3)c(Br)c1 117316396 YFMWMTKCBFQBCB-OLZOCXBDSA-N 531.908 6.839 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c(Br)c1 150408576 MTSTWXSNBPUWPI-AWEZNQCLSA-N 643.170 6.246 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 150430650 NYQJLOCXOOLTCS-XGUCDPIRSA-N 638.502 6.395 50 10 KKGE CC(C)[C@H](NC(=O)CCCCl)C(=O)N1CCC[C@@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@H]5CCCN5C(=O)[C@@H](NC(=O)CCCCl)C(C)C)n4)cc3)cc2)c[nH]1 150475688 BCVBPTIJYVFREA-JFDQHVTASA-N 831.890 7.780 50 10 KKGE Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 150479523 KDAVEEPAYKNWAB-RWAOCCGBSA-N 678.090 8.582 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483965 FZTDYKNJQIINNF-LJAQVGFWSA-N 652.874 7.580 50 10 KKGE CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 150611566 CCMVFNXJYCFASX-GHLNVSQTSA-N 677.589 7.443 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1 163914097 GWOXLJJNUIKDDW-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205649438 WWCONHTYUAXDRJ-WXEVEIJSSA-N 524.617 6.228 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214205805 LCWNWNFWFWZDGD-DXJNIWACSA-N 550.618 6.494 50 10 KKGE CC[C@H]1/C=C(\C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 252286784 KASDHRXLYQOAKZ-FWKUMHQKSA-N 810.466 5.719 50 10 KKGE CCc1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1 254409329 PHJMUBWETIDUHN-UHFFFAOYSA-N 537.579 5.355 50 10 KKGE C/C(C=NNC(=O)CNc1cccc(C)c1)=C\c1ccc(/C=C(\C)C=NNC(=O)CNc2cccc(C)c2)cc1 254492225 FWRQXFYCCMOZEG-WUWBBQKJSA-N 536.680 5.538 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254498198 PGDVRGQEFFATPU-UHFFFAOYSA-N 561.635 6.066 50 10 KKGE O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)c2ccccc2I)cc1 254865843 OSDBJWPFUHJXIR-UHFFFAOYSA-N 549.368 5.226 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1cccc(Br)c1 254874289 JBTDNGHDZLXCRG-FQEVSTJZSA-N 585.531 6.426 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc(F)cc2Br)C1 382714632 JHBLBAXRNLEOCI-WMLDXEAASA-N 518.164 5.375 50 10 KKGE O=C(N[C@H](CBr)C1CCCCC1)c1cc(I)ccc1Br 386249882 KYSVXFPZQVLYQZ-CQSZACIVSA-N 515.027 5.127 50 10 KKGE CC1(C)CC[C@@H](CBr)N(C(=O)c2ccc(I)c(Br)c2)C1 721506668 DPCBVDHZBDEQRB-NSHDSACASA-N 515.027 5.079 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 1084042198 HWBXZYHWLQRJKN-BKUYFWCQSA-N 503.385 7.280 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 1084169776 BTUMCVFZWAZCTB-UHFFFAOYSA-N 554.613 5.767 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NN=Cc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 1084281725 GIZRMCIDFNPNQM-UHFFFAOYSA-N 650.350 6.038 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)ccc1OCc1ccccc1 1084397075 XCEQNUJPNJFUTK-UHFFFAOYSA-N 584.016 5.253 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1 1084447803 PQPMWCGXNSLCFM-UHFFFAOYSA-N 523.552 5.101 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084655498 LCFVSXOHFJQYGG-UHFFFAOYSA-N 566.279 6.896 50 10 KKGE FC(F)(F)c1cc([C@H]2CN(Cc3ccccc3)C[C@H]2CI)cc(C(F)(F)F)c1 1614619451 XBVRVQAZQFJWGJ-CRAIPNDOSA-N 513.263 6.375 50 10 KKGE FC(F)(F)c1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)cc(C(F)(F)F)c1 1614619469 XBVRVQAZQFJWGJ-QAPCUYQASA-N 513.263 6.375 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743725 GMASGBQCBGEKOS-UHFFFAOYSA-N 570.487 6.664 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748266 VPJANRZOYHLWSO-UHFFFAOYSA-N 501.768 5.122 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1 1772751538 FMNVVNZXLUUFEC-UHFFFAOYSA-N 525.649 6.945 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1OC 1772754014 NMEBSSWJOKWJLB-UHFFFAOYSA-N 528.241 5.190 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865690216 LOVOTEDKGXQYTB-MUUNZHRXSA-N 536.632 6.344 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691183 LTOCCDNKLQTFQJ-SANMLTNESA-N 521.061 6.333 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865696030 JUPMFJKFPDNPHF-MHZLTWQESA-N 535.088 6.723 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701325 SJCPCSKXQOBPPQ-LJAQVGFWSA-N 553.449 7.438 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707044 MLGCUKRGLMBVDZ-GDLZYMKVSA-N 557.695 5.056 50 10 KKGE CC(C)[C@@H](C(=O)N(CCCl)CCCl)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1866306946 YWYZNVINCIJAAB-AWEZNQCLSA-N 874.848 5.032 50 10 KKGE CC[C@@H](CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cc(Br)ccc1OC 1867139752 YOSZMRZQVRMAJW-QYBDOPJKSA-N 552.494 6.411 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)n1 1868300572 FMOGNZZMDFLBSI-NDEPHWFRSA-N 519.718 8.408 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H](c2ccc(F)cc2)O1 1868413571 AXANWIOXGASONQ-IQGLISFBSA-N 532.044 7.219 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1 1872746016 NUHYYFMJAXSMDZ-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)cc1C 1872746537 MLFUMNAPOALVTN-JZJYNLBNSA-N 519.848 7.195 50 10 KKGE BrCCN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893242190 WRFHXQXLQJDONQ-UHFFFAOYSA-N 509.023 5.451 50 10 KKGE Cc1sc([C@H](Br)c2sc(Cl)cc2I)cc1Br 1901024288 UTIHBRLQXSSDPS-VIFPVBQESA-N 512.457 6.623 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915131037 RQVXDBFAMBLACO-AWEZNQCLSA-N 504.060 6.028 50 10 KKGE FC(F)c1cscc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924614665 PXCNGXMVDHMYOU-LURJTMIESA-N 545.888 7.519 50 10 KKGE FC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC2(CCC2)C1 2064540935 PNRXCUDPEFYXDO-QMMMGPOBSA-N 525.901 7.144 50 10 KKGE CC(C)(C)[S@](=O)N[C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1 2080745425 NSZNZJQIBJWIOZ-GVICWXJLSA-N 605.809 8.685 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(C)cc1Br 2094272250 VHAVCWQQRYWAKF-LBPRGKRZSA-N 515.869 5.983 50 10 KKGE CC(C)([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2141472085 ZQHMJXKYCRSOTI-SNVBAGLBSA-N 606.794 5.996 50 10 KKGE CCC[C@H](C(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473259 NARJNNWCLGBXPG-PRHODGIISA-N 584.810 8.245 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(I)c(Br)c1 2179630249 SSQPLIVDBUNGRW-JQWIXIFHSA-N 515.027 5.127 50 10 KKGE CN(C[C@H](Br)Cc1sc(Br)c(Br)c1Br)C1CC1 2216395720 RDAQPJQSTCRAMJ-ZCFIWIBFSA-N 510.915 5.436 50 10 KKGE C[C@H]1CN(Cc2ccccc2)CC[C@@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234072889 IUCONCVCGPCUBE-LIRRHRJNSA-N 511.689 6.383 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCC[C@H]2CC3)c1Br 2251092625 QMGRPTIVMOSXQI-ZKQGETEISA-N 507.911 7.052 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2255901673 NHHMADJXTCYYOY-QMMMGPOBSA-N 500.385 6.936 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c1Br 2268275146 QQUVFOXKUNSQLK-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE COc1ccc([C@@H](Cl)c2cccc(Br)c2Br)cc1I 2269541726 ITEQJBWVSRKLRA-CQSZACIVSA-N 516.398 6.153 50 10 KKGE COc1ccc([C@H](Br)c2sc(C)c(C)c2Br)cc1I 2269554351 SIGIOAOGHHTWAK-ZDUSSCGKSA-N 516.036 6.225 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1ccc(Cl)c(I)c1 2283568968 TZHMUSLPSIGQJE-CYBMUJFWSA-N 506.392 6.697 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 2293202090 AFZKTUJJBQYSNN-UHFFFAOYSA-N 564.029 7.529 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccco3)nc3sc4c(c3c2=O)CCCC4)cc1 2296405705 HPSQFPSLBDMSAY-UHFFFAOYSA-N 504.637 5.135 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCc1ccccc1 2296652042 JTKGILYBIOKIIY-UHFFFAOYSA-N 542.616 7.721 50 10 KKGE COc1ccc(C=C2CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2OC)c(OC)c1OC 2297110526 IUEXOXZVBXMOFN-HSZRJFAPSA-N 520.582 5.067 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2297456649 DSQQVOIHRIWCFF-UHFFFAOYSA-N 555.414 7.843 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc3ccccc3c2)cs1 2297477349 SPBLRODBMKAPEN-UHFFFAOYSA-N 550.683 9.185 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591852 GGLIJPVSGVYPCF-HHHXNRCGSA-N 511.647 6.192 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 2314592408 SRWPXFKQUVYMGV-MUUNZHRXSA-N 541.673 6.111 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593204 JHKXXIMYMZQZGK-NDEPHWFRSA-N 525.674 5.951 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594008 XLFGTVSIYAAAJE-XHCCPWGMSA-N 564.538 7.420 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C(C)=C(C#N)C2=O)cc1 2314617184 SFZMSRKOLQCHBJ-UHFFFAOYSA-N 528.612 5.957 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2314646916 UPFMOABEDYOACQ-AREMUKBSSA-N 625.106 5.118 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccccc3)cc2OC)ccc1OCc1ccccc1C 2314737306 WPWJFFIVIFJCRB-UHFFFAOYSA-N 588.660 6.433 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(C(C)C)cc5)cs4)cc3C2=O)c1 2331340238 QYMKYZANSYOZAO-UHFFFAOYSA-N 519.626 7.301 50 10 KKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362913074 QAPFGBTZTFURHR-CYCXOIKXSA-N 596.777 6.988 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 2365224411 YBQJXNCJANDFRY-CYBMUJFWSA-N 550.285 7.512 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(Cl)c1Cl 2365594875 CXYBOOGWGQNXPD-GFCCVEGCSA-N 506.392 6.744 50 10 KKGE Clc1ccccc1C(CBr)(CBr)Cc1ncc(I)cn1 2381292105 AHPYCQKZHKZLMW-UHFFFAOYSA-N 530.429 5.005 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(Br)c2)cc1Br 14640762 CUFVBWYSQLYHBS-UHFFFAOYSA-N 512.242 5.554 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38659653 OGUMMPQAESGHIJ-JMQGSBJISA-N 514.578 5.247 50 10 KKGE O=C(NN(c1ccccc1)c1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 39852144 DPHTWJHFRGEPNL-UHFFFAOYSA-N 514.507 6.733 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccncc3)CCC4)ccc21 40813954 QLTNDVTVUCEAEI-GZZLJNBRSA-N 505.578 5.834 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40816115 NIROLFCNSRORRR-QCKNELIISA-N 508.578 5.307 50 10 KKGE CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cc(/N=N/c3cccc(Br)c3)ccc1O)CO2 97958575 XAPAURPAVWKZGT-WTWJDGJJSA-N 537.414 6.158 50 10 KKGE CC[C@@H]1/C=C(\C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@H](C)C[C@@H]2OC 97975730 KASDHRXLYQOAKZ-PLKUQFLJSA-N 810.466 5.719 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 100238977 MXLOTPKJNOQLFW-MIHYEXDHSA-N 531.487 5.769 50 10 KKGE N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2ccc(I)cc2)cs1 101034018 PKSJRWOEEXNAIB-XDHOZWIPSA-N 531.378 7.287 50 10 KKGE O=C(NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1)c1ccc(Br)cc1 101067176 XFBOKUBBYZGUCU-UHFFFAOYSA-N 545.315 5.087 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101340967 KCADXCZPTRTIND-MTDXEUNCSA-N 552.631 5.120 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc2ccccc12 101366083 PWWXXDBCRYNPLF-HHHXNRCGSA-N 527.374 5.805 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101368144 NWDWQKWUVAWHME-ROTAYESASA-N 556.659 6.418 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384944 LVZBEAPHJYZJLT-JGCGQSQUSA-N 615.513 8.189 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386689 ULOCSFASCOQKKD-HKBQPEDESA-N 566.585 6.249 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390714 HFKDVLGOUSWRTH-HSZRJFAPSA-N 585.896 8.088 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1Cl 101393860 VOYBHPZRXYWVKB-SANMLTNESA-N 537.443 7.172 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1Cl 101394350 DYBTUBGLPROOMO-QHCPKHFHSA-N 578.279 7.916 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)c(C)c2cc1Cl 101394500 UDPSZUYIHZIACO-HSZRJFAPSA-N 523.347 6.933 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101395869 JLTRKDLYPGICBZ-LJAQVGFWSA-N 563.050 6.610 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)CC1 101397698 VNMWMFBYIZPKNC-AJTARLIOSA-N 571.117 8.039 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1 101702363 AJSHVGRPLHQUMN-XIEYBQDHSA-N 536.584 5.457 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12 102933393 QHTVPTRMXWNGDN-HMAPJEAMSA-N 619.415 6.876 50 10 KKGE C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105051164 YGBYGLHMYHWANR-CCVNUDIWSA-N 534.237 6.664 50 10 KKGE COc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(Br)c1O 108117550 CGMGELQEHQVIGC-WCIBSUBMSA-N 552.038 5.027 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921060 LMCNYCSDWPLKPZ-QUYUYDMXSA-N 505.227 9.203 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2)cc1Br 128730785 ULGYBGRJIFRQGI-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCCC(C)C 150422637 LKEBFPNAISHGFB-DEOSSOPVSA-N 700.830 8.980 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430585 SOLXDHHCADEOHQ-UUWRZZSWSA-N 635.116 8.372 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccc(Cl)cc12 150482193 RCHIVSLTZPEICI-PMERELPUSA-N 631.899 8.718 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(F)cc1 150485014 XDUDYURPYVSQNX-WJOKGBTCSA-N 631.454 6.378 50 10 KKGE O=C(N/N=C/c1cc(Br)cc(Br)c1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 163321959 KMRUIJUVDKNSCD-YEKRYRHBSA-N 639.988 6.106 50 10 KKGE O=C(Cc1ccccc1)N[C@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CS[C@@H]12 196698365 OOIQPSQFCZGLFG-HCQHVFLSSA-O 759.888 7.210 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214305653 UDUAGVPPAOYACV-QXPFVDMISA-N 600.719 6.834 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C2=O)cc1 214402276 VAVCBKWADPBYQI-VEILYXNESA-N 554.606 6.129 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(OC)c1Cl 234972285 JIQMYXFLJPILLZ-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE CCOc1ccccc1C=NNC(=O)/C(=C\c1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1Cl 252602933 FMMSCSFTROIMHR-RMXZPXNCSA-N 519.045 5.506 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(-c4ccc(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)[C@H]2Br 256019984 PXIALSQRXOKNBZ-KOYFVTJOSA-N 642.476 8.410 50 10 KKGE CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)O[Si](C(C)C)(C(C)C)C(C)C 306146731 NQGNRUOAOBYLJG-OCBJUFRSSA-N 510.920 10.370 50 10 KKGE Cc1ccc(COc2c(Br)cc(CBr)cc2Br)cc1Br 313687662 UXPQGRAWTRQSQW-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Brc1cc([C@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)s1 381926900 QHMPINUXRJLDMG-QGZVFWFLSA-N 517.080 7.336 50 10 KKGE COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(O[Si](C)(C)C)=C[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 504821473 LLDQVINTBNWOHR-SAIWLIGZSA-N 591.038 9.580 50 10 KKGE ClCc1nc2cccc(Br)c2n1-c1cc(I)cc(I)c1 697675385 SBKKFPHHEUDVNO-UHFFFAOYSA-N 573.397 5.736 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CC[C@H](OC(=O)[C@@](OC)(c4ccccc4)C(F)(F)F)C(C)C)CC[C@@H]3[C@H]12 725239074 WKBJJVNVHWVMMW-BTIZLQNCSA-N 919.295 12.278 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(OCc2ccccc2C#N)c(I)c1 1083900681 FGNNWKQREBYTMC-UHFFFAOYSA-N 503.384 5.552 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084268813 AFMVNNWTBQZQGC-UHFFFAOYSA-N 642.565 5.714 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CCSc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084362604 AXXUXVRVGCOJCB-FSGGQHMVSA-N 562.135 7.206 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Cl)c3)c2C)c(C)c1 1084450968 RHRFRMYVWNAVDQ-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1 1084485879 QORHRFYZXCPMFF-QGZVFWFLSA-N 504.881 6.449 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084624025 OXBSGEPNXVKLJK-UHFFFAOYSA-N 626.091 5.019 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653274 KTJXZYYYAVCYHX-LSDPICSBSA-N 552.483 6.306 50 10 KKGE COc1ccc2c(c1)C(=NNC(=O)CCCCCCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(OC)cc31)C(=O)N2CCC(C)C 1772719916 SDMMRZSRXMLFQW-UHFFFAOYSA-N 674.843 5.561 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)CCCCCCCCC(=O)NN=C1C(=O)N(CCC(C)C)c3ccc(C)cc31)C(=O)N2CCC(C)C 1772720188 FLIPYVGRYIOFEL-UHFFFAOYSA-N 656.872 6.550 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1C 1772749858 QGGVXRCVYLCJMW-UHFFFAOYSA-N 514.409 6.000 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCCc1ccccc1 1772754101 ORCSVNXJMYENEI-UHFFFAOYSA-N 559.460 6.275 50 10 KKGE CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865683050 DWQJJUUYXFOUOE-DEOSSOPVSA-N 516.432 6.189 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685231 GBHIXKFMVKLWJY-OAQYLSRUSA-N 523.807 6.726 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865687159 KQSRKNQHKYDHGN-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865687424 QVQNOKLDRVHOPZ-RUZDIDTESA-N 548.565 6.840 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696076 XFKKPQDIHJWURD-MUUNZHRXSA-N 575.496 7.246 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2F)cc1 1865702283 RPYVJXBHIROCCK-QHCPKHFHSA-N 515.386 6.027 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703163 OQTLQFWVTOUUAN-MHZLTWQESA-N 529.015 6.474 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704982 JNIPHZXJPIPFIW-RUZDIDTESA-N 561.425 6.187 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711722 GRQUCOJCMOBGPK-JGCGQSQUSA-N 575.068 7.210 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867003621 IPPKQAQZIMPUTH-VMPREFPWSA-N 576.118 6.478 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1868301317 NTKQLUAWJJTZJH-IBVKSMDESA-N 511.626 6.874 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433528 MWINFGCXISQJAM-YTTGMZPUSA-N 576.125 8.274 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)co1 1899864206 QTDGYKGICHUGGO-GOSISDBHSA-N 501.012 6.868 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cscc1Br 1923050112 QJXVMTXQCRZCDB-LURJTMIESA-N 530.326 7.235 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(Br)s1 1923073685 ZJBHTSUICRGCOJ-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568762 LDGZOIZAFKRAAH-XNCJUZBTSA-N 503.826 6.517 50 10 KKGE CCCOc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924599765 LJNXGKRWAMVWDJ-LLVKDONJSA-N 547.932 7.309 50 10 KKGE CS(=O)(=O)c1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924600187 BQMHWTNARLBSJQ-SECBINFHSA-N 567.944 5.923 50 10 KKGE C[C@@H]1C[C@]1(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779592 JODZBPRQRJAPPS-VVEMVBODSA-N 510.289 7.063 50 10 KKGE CCC(F)(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780314 QQEPRMCEOAJTRB-VIFPVBQESA-N 564.682 7.218 50 10 KKGE N#CC(C#N)=Cc1ccc(C=Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 2052963838 KQBABQKDLCLBGA-UHFFFAOYSA-N 531.619 7.782 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)c(Cl)cc1Cl)Cc1ccccc1 2059290093 XHEYPONDAZUAME-UHFFFAOYSA-N 556.353 6.211 50 10 KKGE Cc1ccsc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495762 MHZKZCVBLXJBDR-LLVKDONJSA-N 538.324 7.435 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCCO1 2141475100 JACAWRXYZSQFBZ-QWHCGFSZSA-N 584.766 7.132 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1)Cc1ccc(Br)cc1Br 2148680757 FISOFOJCPOGXCV-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC23CCCCC3)c1Br 2206396200 UFPPUKABPUYGNU-PRHODGIISA-N 594.805 8.143 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)cc(C)c(Br)c2C)ccc1I 2207106583 XVLGZLQZTCIIQV-QGZVFWFLSA-N 508.035 6.772 50 10 KKGE O=C(N[C@@H](CBr)C1CCCCC1)c1ccc(Br)cc1I 2207267322 KVUSJODDRSIWGB-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Br)cc1I 2218804618 CFLPKQVXSLXCNT-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1Br 2232512170 SEWSTZHSRZHLIU-NSHDSACASA-N 526.252 7.795 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Cl)c(I)c2)sc1Br 2248215444 VRPJLMAEUSVGJA-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Cc1sc([C@H](Cl)c2cc(Br)ccc2I)c(Br)c1C 2253474296 GRHMUPNMNCZSEM-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)cc1Br 2267218184 RHZYTWZDNIIECE-MRVPVSSYSA-N 604.728 7.561 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3scc(Br)c3Cl)cc(Br)c2O1 2279292128 JLGWVGOPBIODJN-KBUNVGBDSA-N 501.465 6.734 50 10 KKGE COc1c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)csc1C 2287219310 DRMJXVQKUQPFPS-SNVBAGLBSA-N 612.801 7.599 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 2293202191 SXCLJZJOGZKBJN-UHFFFAOYSA-N 510.059 6.819 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)c(C)s1 2295264670 IQTPGDJWZYWYEL-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295279240 LVWFTNFKGJXFDF-CYBMUJFWSA-N 550.285 7.398 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(=O)OC)cc(Br)c1OC(=O)c1ccc(OC)cc1 2295459609 FPDGDGSTXNUFML-UHFFFAOYSA-N 579.403 5.408 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 2296049256 VHZKZDOWVPFZQZ-UHFFFAOYSA-N 528.722 7.333 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296507242 ZIKFWPOTFPUJON-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE CC1(C)CC[C@@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@@]3(C)[C@@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2296553646 NXUDOCUNEVFUGK-UWNXMKQTSA-N 618.822 7.805 50 10 KKGE O=C(NN=Cc1c(Br)cc(Br)c(O)c1Br)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296646527 KQBQRNCZGTWLAH-UHFFFAOYSA-N 667.108 5.509 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)cc1OC 2296790173 UNKQXKUVGYJPNW-UHFFFAOYSA-N 547.032 6.815 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(=O)OCC)c1C 2297466894 VZBXCTMPFCNWFT-UHFFFAOYSA-N 536.462 6.817 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 2297491211 HFERIYWVMRPGDY-UHFFFAOYSA-N 539.053 6.978 50 10 KKGE Cc1scc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 2303643408 DTVSKVRAPYVPHW-SSDOTTSWSA-N 588.804 7.652 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 2313570975 KOXCZKZBCAFPGI-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591947 IJWNYSAXQNZMJP-XMMPIXPASA-N 537.563 6.087 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C(C)=C(C#N)C2=O)cc1 2314616480 BUKLIPIJSVHJCH-UHFFFAOYSA-N 572.665 6.436 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314616902 MMKUCDBHBOKOGS-UHFFFAOYSA-N 572.640 6.792 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634472 WEVMUCODKPTDNR-NDEPHWFRSA-N 514.965 5.750 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)Nc2ccccc2)c1C 2329708947 HNRQOVPQBVTHGF-UHFFFAOYSA-N 519.579 5.048 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OCCC)c(OC)c3)n2)cc1 2331429416 UYACOQYGZXMSLE-UHFFFAOYSA-N 511.485 7.777 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCC(=O)N(CC)CC 2331455884 VLSYXZFVIBVIQG-UHFFFAOYSA-N 509.603 5.668 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1c(Br)cnn1C 2339677018 AZHYYCYLCATCCT-SNVBAGLBSA-N 519.832 5.639 50 10 KKGE C[C@H]1CCC[C@](CI)(OCc2ccc(I)c(Br)c2)C1 2350055733 NVRCLLYENVKUJQ-NHYWBVRUSA-N 549.028 5.954 50 10 KKGE Brc1cc(CO[C@@H]2C[C@H](Br)C23CCCC3)ccc1I 2350062279 VJYMLZPEDWYRED-UONOGXRCSA-N 500.012 5.667 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)Cc1ccccc1Br 2360497655 RYFSDDIRHYKDBP-VIFPVBQESA-N 505.834 7.336 50 10 KKGE CC1CCC2(CC1)[C@@H](Br)C[C@@H]2Oc1cc(Br)cc(I)c1 2364267279 IGRSAZBGNCWBFF-SIBYTZNVSA-N 514.039 6.165 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cccc(I)c2)c1Br 2365183642 KNIHKMILEFMABX-ZDUSSCGKSA-N 574.876 6.618 50 10 KKGE CC1(C)CCC(C)(C)[C@@H](Cc2ccc(I)c(Br)c2)[C@@H]1Br 2377262711 BHAIRLDPKSLTQH-WFASDCNBSA-N 514.083 6.822 50 10 KKGE Cc1ccc(-c2ccc([C@@H]3C(C#N)=C4Sc5ccccc5N4C(N)=C3c3nc4ccccc4s3)o2)cc1 2441487 LSSOVAOFRHQHMC-SANMLTNESA-N 516.651 7.637 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655600 DFJJSKOUPWBTDH-DXPJPUQTSA-N 523.416 6.708 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 59292027 FHOIVLSSIHYHPV-HYARGMPZSA-N 521.411 5.659 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(Br)cc1 100061882 ZYAVPYBLSDCLGS-AUEPDCJTSA-N 541.037 5.656 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100082465 GPYWKEXYRBJLCE-UHFFFAOYSA-N 560.720 5.248 50 10 KKGE N#C/C(=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(I)cc2)cs1 101033996 IKDAICUKIDQEHS-NVNXTCNLSA-N 525.331 5.777 50 10 KKGE N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193629 PJWQVKUBNLJMEF-IZZDOVSWSA-N 519.228 7.837 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246768 LVYBOPPPHDHWMU-NNHPPCHPSA-N 568.482 6.466 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 101372978 PZFPYGGIDZVOMG-BJFJQTCSSA-N 535.427 7.009 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385554 VEANJDMFEWABTK-SSEXGKCCSA-N 569.013 6.374 50 10 KKGE COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101390199 XGVRFEXXBUBQIO-JOCHJYFZSA-N 523.397 6.654 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1OC 101392602 WOKKRUMABTXHLK-NRFANRHFSA-N 587.868 7.316 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 101396554 OVPKFEHEGKKUSK-MUUNZHRXSA-N 543.019 7.401 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4Cl)cc3)oc2c1C 101397600 JCLNQGIHYBLUCM-HKBQPEDESA-N 591.063 8.028 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 101602090 VEYUMKWJHUUYTC-VUTHCHCSSA-N 538.944 5.049 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(Cl)ccc5Oc5ccccc5)c(C)c43)coc2c1 101620467 KAOSPNPGVWESGF-AUGOTPMTSA-N 596.083 8.048 50 10 KKGE O=C(COc1ccccc1Br)N/N=C/c1cc(Br)ccc1OCc1ccccc1 101713600 KQGRQYGVIDIYMD-DHRITJCHSA-N 518.205 5.320 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C 102935068 MQCJCDZHYDDSOT-GRSHGNNSSA-N 592.355 6.752 50 10 KKGE CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2/C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 103736506 KYCKHTMXZIBECB-ZXXSOWAYSA-N 536.445 5.958 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103741756 SPPWPBXOMJUVOK-FGUZVETGSA-N 544.438 6.417 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 150424934 YQFGNHWHTSGAPB-UHFFFAOYSA-N 674.843 5.677 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214256817 LORGSVFGRBKHHD-RIRGPFDCSA-N 508.622 6.027 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)c(C)c1 214297038 UQAVKQUXQFGXJC-USHMODERSA-N 536.632 5.431 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 214376978 GJESDNCZWADABD-YUMHPJSZSA-N 546.602 6.178 50 10 KKGE CCOc1ccc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OCC 216495573 OAAJVBMSULZFEN-RWEWTDSWSA-N 510.638 5.237 50 10 KKGE O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 252606988 GXBOYBLHWYYXCL-UHFFFAOYSA-N 546.407 5.738 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N=Cc2ccccc2)=C(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1Cl 252607047 GXRNEWWKKXIVFJ-NDEPHWFRSA-N 593.564 9.536 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 254319296 XOJSILONSCYVJU-UHFFFAOYSA-N 516.539 5.221 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)o2)cc1 254394298 MKOSDOURZDAQLI-UHFFFAOYSA-N 504.627 6.366 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 254659462 VMESBFNWPIVGLM-UHFFFAOYSA-N 541.721 6.571 50 10 KKGE O=C(NN=C1CC(=O)c2ccccc21)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 254696804 DAGHCDXIVOFHRR-UHFFFAOYSA-N 531.519 5.888 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254874631 PDSFNJWJUYIXSM-GCHSDGRTSA-N 612.436 5.318 50 10 KKGE Clc1cc(I)c(Oc2ccc(Cl)cc2CBr)c(I)c1 311327000 BZZHWSHPXCHNGF-UHFFFAOYSA-N 583.816 6.890 50 10 KKGE ClCc1nc(Oc2c(I)cc(Cl)cc2I)ccc1Cl 311458166 FEBPIAUHAPPSNY-UHFFFAOYSA-N 540.353 6.129 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591274 XORYGFNCJVGENP-ULJXIHCXSA-N 795.014 9.608 50 10 KKGE Cc1cc(C)c(-n2c[n+]3c(n2)-c2ccccc2C[C@H]3C(O[Si](C)(C)C)(c2ccccc2)c2ccccc2)c(C)c1 888086698 DVOHOWSETQVRPY-YTTGMZPUSA-N 544.795 7.645 50 10 KKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 1083908263 BINKXALLBKAXGF-UHFFFAOYSA-N 500.385 6.264 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(C)c1 1084104362 VBLRLWCKIPYPJM-VCHYOVAHSA-N 593.248 7.040 50 10 KKGE Cc1cccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2Cl)c1 1084153607 CYWCGLPTGHFXCW-UHFFFAOYSA-N 506.183 6.047 50 10 KKGE CCOC(=O)COc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084307914 LPDMOQYPRRVHQT-UHFFFAOYSA-N 637.474 5.772 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccccc2Br)cc1)S(=O)(=O)c1ccccc1 1084319618 YACJYVFFSJXPNL-UHFFFAOYSA-N 596.934 6.570 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084361858 OMDKHQWBIXJCKY-QHCPKHFHSA-N 603.413 5.141 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084427146 LHNUVYMXGRVQNP-UHFFFAOYSA-N 620.773 7.808 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084435499 WKKPFQMQXHQQGA-UHFFFAOYSA-N 544.677 5.147 50 10 KKGE C/C(=N\NC(=O)[C@@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526358 LUVQMDGKILTIRG-FAWQHPFYSA-N 612.727 5.133 50 10 KKGE CC(C)(C)c1ccccc1OCC(=O)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752496 UHYHOGPQQGNYMR-UHFFFAOYSA-N 554.872 5.846 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682066 FALDNFXCOHAGKA-HSZRJFAPSA-N 500.942 5.134 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1O 1865682241 JODNTIVAZGFNEX-QFIPXVFZSA-N 515.367 5.234 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865684019 LHRROWWGKOHIRU-VWLOTQADSA-N 508.578 5.156 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687286 NPEQQEXFVZIJAR-HHHXNRCGSA-N 527.024 5.953 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689475 AFOHLLDJAUPNHS-LJAQVGFWSA-N 510.597 6.645 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(Br)c1O 1865689815 XCLUFQPOTAKGSR-OAQYLSRUSA-N 549.812 5.888 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865690778 AXYGKCVFCSGXBT-MUUNZHRXSA-N 571.077 6.666 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865692665 DRBGJRSWPMBCSL-WJOKGBTCSA-N 572.640 6.933 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695173 LUHSLYXKQSBXRX-MHZLTWQESA-N 545.470 6.988 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OC 1865695250 AQXUPLWAKLKNLX-MUUNZHRXSA-N 571.077 6.997 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695424 OPKSWNDIUWDGKP-RUZDIDTESA-N 551.861 7.192 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695934 VPECZPOJPLJDRB-HHHXNRCGSA-N 541.051 6.665 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865700902 HIUPCXKKRNQBLT-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701505 WZUDUVMYBOJAGL-VWLOTQADSA-N 551.861 7.192 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865701619 ZRUMFHWZGKHUIA-MHZLTWQESA-N 530.584 5.936 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(Cl)c(Cl)c1 1865703682 ZCGBPVIJCIRJKE-RUZDIDTESA-N 531.443 6.912 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865709697 ZSSPBTVNLKUAQK-HHHXNRCGSA-N 528.568 5.706 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712197 RWMTUTXZFCJKSC-XMMPIXPASA-N 516.523 6.056 50 10 KKGE O=C(Nc1nnc(CCl)s1)[C@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865898174 ZBEDXNFZFJITPV-VIFPVBQESA-N 564.665 5.737 50 10 KKGE CCc1ccc(/C(C)=C/C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866684487 RTSCLZNBJYKRJM-PCLGYLGWSA-N 515.704 6.282 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)CCCc2ccccc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867122322 WXSZHQWTXKFSEB-MHZLTWQESA-N 515.635 5.182 50 10 KKGE CSCC[C@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867203014 YSIGJUSBDHBXNO-YADHBBJMSA-N 534.545 6.029 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)n2)cc1 1868321145 WREBJNWUQFDPBP-MHZLTWQESA-N 547.728 7.577 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Br)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433122 FIJKULCEQRHXMQ-DEOSSOPVSA-N 576.951 8.088 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4OC)cs3)cc2C1=O 1872751483 JYYDCHUQGREDPH-WGJYXZIMSA-N 515.635 6.461 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1 1872752999 CMQIFLZPORLZSB-MOHJPFBDSA-N 521.897 9.069 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1F 1872792046 BFYVNMAEFZWRNB-VXLYETTFSA-N 511.405 7.908 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1 1872795012 IISSUHBKCUZDBS-NCELDCMTSA-N 501.655 8.063 50 10 KKGE CCn1ncc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924569776 ADMZHAJBMSODSC-SSDOTTSWSA-N 542.316 6.343 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1)c1c(Br)sc(Br)c1Br 1924586281 VYZBRHZFIIQYLQ-VIFPVBQESA-N 524.297 7.126 50 10 KKGE O=S1(=O)CCC([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924615740 FSXHMLCYTIFMMH-SSDOTTSWSA-N 545.938 5.296 50 10 KKGE O=S1(=O)CCC([C@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924615741 FSXHMLCYTIFMMH-ZETCQYMHSA-N 545.938 5.296 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2030222045 PVLNTGFMALOKGJ-ZDUSSCGKSA-N 520.455 6.815 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1C 2039502877 LBYYCTNGNOGGGM-SSDOTTSWSA-N 602.831 7.961 50 10 KKGE N#CC(=Cc1sc(N2CCCCC2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053589057 MSACYGJXWVLXHS-UHFFFAOYSA-N 523.666 5.282 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccccc1Cl 2053614268 JSWUHGLRAPFVNM-UHFFFAOYSA-N 619.799 6.082 50 10 KKGE Cc1cccc(NC(SCC(=O)N(c2ccccc2)C(C)C)=C(C#N)c2nc3ccccc3s2)c1C 2053623336 SFRWQVDZGFZZQD-UHFFFAOYSA-N 512.704 7.392 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]1C1CC1 2085492479 LXPYLSVGCAZGGO-HHSDFAELSA-N 522.300 7.063 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)sc1Br 2089726288 VUNJMJRQEXVZDB-LBPRGKRZSA-N 533.905 6.837 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121751 BRKHKTQBNVYYGE-GZMMTYOYSA-N 545.907 7.687 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12CC(CCO1)C2 2141470822 LCNYNRQWSZQARO-BZCBFNEHSA-N 538.299 6.586 50 10 KKGE FC1(F)[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141471535 SNOXURKKRPHUCS-ZJUUUORDSA-N 544.253 7.062 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2c(Br)cccc2Br)c1Br 2150495681 YNVUIVLWNCVSEC-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE CC[C@@H](CC(F)(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395889 QUXWFWIPIPGSBC-DYEAUMGKSA-N 566.275 7.995 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@H]2CCC23CCC3)c1Br 2206397054 DOLRLBBINLBQHH-BDAKNGLRSA-N 594.805 8.143 50 10 KKGE FC1(F)CC[C@@H]2[C@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206397495 JUKHMESUGPRDKU-AXMNTDEYSA-N 558.280 7.308 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405800 QNKMWQCIVSGJSL-PELKAZGASA-N 574.354 5.984 50 10 KKGE COc1sc([C@@H](Br)c2ccc(C)c(I)c2)cc1Br 2217865424 DLLKKGVPCCDMJC-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Cc1ccc([C@@H](Br)Cc2ccc(Br)cc2Cl)cc1I 2229153619 OLFJBIVZHLLMKG-ZDUSSCGKSA-N 514.426 6.694 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)c(C)c1Cl 2232528020 QNVILKLXSBSRRQ-CYBMUJFWSA-N 501.871 7.620 50 10 KKGE Clc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2283190645 BMXKOQNLSISHDU-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198220 KWOKMBZJLFCMFB-XMMPIXPASA-N 506.002 5.264 50 10 KKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1 2295275419 UYEFRDGCWGRRCK-AWEZNQCLSA-N 527.876 6.661 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507073 RQZXUCJMHXWMLV-NRFANRHFSA-N 573.299 6.821 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c1C 2296724841 AOODOMKLTMNBPH-UHFFFAOYSA-N 550.434 5.513 50 10 KKGE COc1ccc(C=C2CCC[C@@H]3C2=NN(C(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 2297021072 BPDKIEKWCSVVBW-BVRKHOPBSA-N 548.599 6.342 50 10 KKGE O=C(NN=Cc1cc(I)c(I)cc1OCc1ccc(Cl)cc1Cl)c1cccnc1 2297672133 IDYOHYXBWLSXRN-UHFFFAOYSA-N 652.057 5.941 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1sc(Br)cc1Br 2301046267 NBOIKLSQGLTKAC-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 2313518066 CMEOHYICHQUHLA-UHFFFAOYSA-N 505.412 6.589 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(C)cc1 2313567898 PFHFWYNIGHIXJP-UHFFFAOYSA-N 521.661 5.957 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1 2313571065 MOPSUJULTITFOC-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314490943 MGAYPNHLLAIATP-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592305 QKCGFPRFSYCBLX-PMERELPUSA-N 537.729 7.526 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314616684 HGVPVRLGHYKDHH-UHFFFAOYSA-N 520.633 6.251 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C(C)=C(C#N)C2=O)cc1OC 2314617018 PAZPWVZVMQPHBG-UHFFFAOYSA-N 668.725 7.110 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314618082 GVAFWYYWHJHLCS-UHFFFAOYSA-N 524.621 5.203 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314618272 KLJUSAJIYREJFX-UHFFFAOYSA-N 538.648 5.511 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1 2314634331 DSTLEQYNOGNHRO-AREMUKBSSA-N 519.428 7.128 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 2314640616 DEOCUOSSWQRJIS-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OCC)cc3)c3ccccc3)n2)cc1 2331318487 RDFNGFQLPZWLOA-UHFFFAOYSA-N 508.643 8.031 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2)c1 2331319751 GMOIEZHXIDGLEY-UHFFFAOYSA-N 516.044 5.051 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1 2331349421 QVMMZORGZOCNCN-UHFFFAOYSA-N 503.668 6.636 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331396908 MSSHKSWKEHPMIO-UHFFFAOYSA-N 504.612 6.111 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(Br)c1 2340065862 XHZVWJQZHRJLSG-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(C)c1Br 2340066617 SNGUGHVBHWAMQM-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(I)sn2)c1 2353044285 DVTPBNSXWLYFFM-GFCCVEGCSA-N 517.024 5.566 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)Cc2ccccc2Br)c1Br 2362225990 SZIWFXGNPUWDFJ-VIFPVBQESA-N 550.285 7.445 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(Br)c1 14832316 NNUMRURPSQMLSV-QGZVFWFLSA-N 524.415 5.055 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 15930373 AMPJRDZJNIVXOZ-LOSJGSFVSA-N 505.456 6.579 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1OC 38659027 KWRBWCNGUUCDNN-LJAQVGFWSA-N 518.569 5.659 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 38684082 ZKQAWFPBNMMXAP-SSEXGKCCSA-N 528.605 5.639 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)c1 38685170 NIVRYTXFRCCBPY-XRHLQHRESA-N 502.542 5.596 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(F)cc1 39867468 IUTXYDZLWQNWEK-UHFFFAOYSA-N 500.961 5.960 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccccc1C 40911567 XUMAQRHYULIOHE-KEIPNQJHSA-N 522.645 6.438 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCc1ccccc1 40947770 BKMDLRKCHNNMAD-MTDXEUNCSA-N 518.664 5.468 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100142850 WROWQAPDRXZQBI-UHFFFAOYSA-N 550.247 5.384 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccco4)s3)o2)cc1 100919884 IHJSDMAWZTVOEC-OQKWZONESA-N 535.581 7.156 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)S(=O)(=O)c1ccc(Cl)cc1 101012609 PBCAUQDDRJLRMV-MIXAMLLLSA-N 570.045 7.249 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CC[C@@H](C)C2 101193757 ADXHNCNJCCAGIR-DSQDWWTGSA-N 529.445 7.162 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101362091 ASSACKIETJXPOB-MHZLTWQESA-N 549.421 5.831 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101367625 DIZYUJQXFBNRJP-NDEPHWFRSA-N 534.996 5.730 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OCC 101370679 IYLULXFSMVQCSY-MUUNZHRXSA-N 534.996 5.648 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385761 BSIOLQIAWUXGQT-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388441 PIKCDSQDSOBZGL-YTTGMZPUSA-N 617.485 7.174 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389765 DKQDTFZKHHHUKW-HKBQPEDESA-N 601.486 7.717 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 101391879 WKSIRCAYEHDOKM-FQEVSTJZSA-N 572.813 7.207 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1Cl 101394477 WPXOBPIMWQMSLG-QHCPKHFHSA-N 561.824 7.402 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1OCC 101395348 USSYCCCHVCUYRQ-GDLZYMKVSA-N 552.583 5.808 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101395990 YPYUNBKDFPYVNJ-XIFFEERXSA-N 594.708 8.153 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)oc2ccc(Cl)cc12 101398684 RAGVNVLULNOIAR-PMERELPUSA-N 580.999 7.550 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603622 SGIAZDTVMGJPPT-MTDXEUNCSA-N 533.799 5.093 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1C 101698001 PBBPAXHQBYVWKL-SSALVRQISA-N 540.616 5.642 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 103746711 JCFOHOPESRZEHY-XPGPHDSVSA-N 559.018 5.764 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 103879662 CEXHPWHQMYCKFY-XZYGTATASA-N 599.474 8.011 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2cc(Br)ccc2o1 103879944 AEOAPKBYMDMUSD-IPBVOBEMSA-N 536.184 6.984 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)cc1 150427075 MTDRINPPXYDQFN-DVMDLWDRSA-N 634.365 6.552 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430711 KDBJYYSLYHDFKQ-PMERELPUSA-N 677.993 9.277 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1Cl 150460224 QWXQRYMIEBOFDQ-HXCVMZKZSA-N 683.186 5.907 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccc(Br)cc12 150482422 VVZSMLVNYVDWTN-PMERELPUSA-N 641.905 8.174 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(I)c2)cc1 164623743 ZEGBWHAVOAPKRL-FNTLCPBMSA-N 661.543 8.553 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cccc3c2Oc2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)cccc2C3(C)C)c1 200710399 QSZAPODIGLZMSW-UHFFFAOYSA-N 690.848 10.102 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 205781051 JCYSHCDHJWYANH-OLDVOZSVSA-N 662.768 5.560 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2I)sc1Br 236071169 ZEKWJIZTOOYLOR-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE CC(=O)O[C@]1(C)C=CO[C@@H](CO[Si](Cc2ccccc2)(Cc2ccccc2)C(C)(C)C)[C@@]1(C)OC(C)=O 248166526 OQGIMJDATRGPIF-GNSPLJBXSA-N 524.730 5.869 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)nc3ccccc3c2=O)cc1 254292105 HENHVQHBXRIILC-UHFFFAOYSA-N 536.613 5.429 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3ccccc3)ccc2O)cc1 254394072 ZEKDCMRPIVSDRT-PDIBFNODSA-N 532.604 5.795 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)c(O)c1 254509081 LCPMEEARSIDDTQ-UHFFFAOYSA-N 586.762 6.035 50 10 KKGE CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 254579661 ZEZNHFFXIFWQAZ-UHFFFAOYSA-N 543.674 5.659 50 10 KKGE CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Br)o2)c1 254746392 DDRNFKNNTHIXHD-UHFFFAOYSA-N 553.240 6.301 50 10 KKGE C[C@@H](Br)C[C@@H]1CCCCN1C(=O)c1cc(Br)ccc1I 312379340 MYOLYCLHPAHWIE-PWSUYJOCSA-N 515.027 5.222 50 10 KKGE C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](CC[C@@H]2[C@H](C)C=CC3=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(=O)[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]32)O1 504145289 ALHDGNSPBBXBJX-XSXKINIJSA-N 981.707 14.369 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cccc(I)c2)s1 710854230 KBFOSZRDZAQWOE-GFCCVEGCSA-N 502.009 5.746 50 10 KKGE COc1cccc2c1CC[C@H](NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237973 OJQZPXQTPPDTPK-MHECFPHRSA-N 537.003 5.762 50 10 KKGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 1084011835 LPIAZFGZJPXHID-UHFFFAOYSA-N 615.495 5.075 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 1084155461 JUIYQJAHJVHWEV-UHFFFAOYSA-N 520.800 5.632 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084261888 POUDHUIAXMEGNF-UHFFFAOYSA-N 549.412 6.220 50 10 KKGE CC(C)(C)OC(=O)[C@@H](CSSC[C@@H](NC(=O)OC[C@@H]1c2ccccc2[C@@H]2CCC[C@@H]12)C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 1084268871 QGWOYZLGEIXRTK-BQTCBVHNSA-N 789.029 8.734 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1 1084352406 ZXSOXKHFIQSBAM-UHFFFAOYSA-N 572.209 6.029 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084381777 MGHFXNDTACBYSD-UHFFFAOYSA-N 529.482 6.825 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1cccc2ccccc12 1084403727 VGZPDYJLKXMSPD-UHFFFAOYSA-N 600.118 8.611 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1Cl 1084538094 DHQFYBUTWZAHFF-UHFFFAOYSA-N 538.829 6.245 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1)c1ccccc1Br 1084567126 RHNGDBWHMIRKFI-UHFFFAOYSA-N 711.135 7.154 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084591929 HQJQTIMRWJNMLJ-DEOSSOPVSA-N 556.413 5.299 50 10 KKGE CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084636149 NOTOVORUZIWQKX-UHFFFAOYSA-N 502.412 6.378 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OCc1ccccc1Cl 1772752903 WNDLGGPOLCZUNM-UHFFFAOYSA-N 537.100 7.171 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686102 QSPQKRPIFXJFLI-QFIPXVFZSA-N 555.824 6.924 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686824 BSOMVLCLCLKUAZ-MUUNZHRXSA-N 524.596 5.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865688433 RWTATHSUTRWFBA-XMMPIXPASA-N 557.448 5.992 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1 1865690410 QPFYSIWNAMEZKU-PMERELPUSA-N 526.640 7.480 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OCC 1865690841 CLRUSOCYWQYAET-NDEPHWFRSA-N 514.670 6.378 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865692288 ARAJCTNCULIGSL-HKBQPEDESA-N 554.650 7.044 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701368 UCDKLUCHPGKNJL-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccccc1C(=O)O 1865704261 RKHPIXSXYAPXCD-QFIPXVFZSA-N 500.917 5.307 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)ccc1O 1865706331 UANPUAJRPUGNAL-QFIPXVFZSA-N 515.367 5.234 50 10 KKGE COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C)c1-c1ccc(Br)cc1 1866129625 BZWFDPSYQFQNGY-MHWRWJLKSA-N 515.816 6.472 50 10 KKGE COc1ccc(-c2cc(C(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)nc(O)n2)cc1 1866622152 HYSAMUOSRLGNLI-AREMUKBSSA-N 571.684 5.101 50 10 KKGE CC[C@@H](CC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867138373 QOCRGMMSQIWQPT-KKSFZXQISA-N 550.544 5.791 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141736 UCFMXPYVRKRRNL-AZGAKELHSA-N 536.097 6.757 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867210005 ZQVRCXPUQRETDV-SXOMAYOGSA-N 568.164 6.710 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4nc[nH]c4[C@@H]3C(C)C)n2)cc1 1868528154 OCENTGPURPOKON-MHZLTWQESA-N 511.655 6.342 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccc(C)cc3C)C4=O)n2)c1 1872744573 YTGQFDFXJRTWCB-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(C(C)C)cc3)n2)cc1 1872753224 MUPOEWFUZVBSEA-YMFVWSQDSA-N 504.696 8.543 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1872758737 OGRVKFVQLQCXTP-SDXDJHTJSA-N 504.839 7.460 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872793341 VIGRHKICTVHEMM-BUVRLJJBSA-N 524.686 8.076 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccccc1 1872795293 XWLQCUKAJGAEAY-FYJGNVAPSA-N 503.023 7.514 50 10 KKGE Brc1coc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 1899859271 YNPMZDUVJZTWJJ-SFHVURJKSA-N 501.012 6.868 50 10 KKGE CC(C)[C@H](CCl)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904343730 MANXMWRKGYAIQK-IBGZPJMESA-N 506.653 6.319 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924579783 JZENNKPBRXILSQ-SECBINFHSA-N 503.879 6.828 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)s1 1942100318 XPODFHSQBABSFL-VIFPVBQESA-N 523.935 7.144 50 10 KKGE CCCC(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946435229 TWAXRURMBGSJAF-QMMMGPOBSA-N 538.843 5.491 50 10 KKGE CC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2025784549 WMLXXZRMDXCWQG-NSHDSACASA-N 554.740 7.363 50 10 KKGE CCc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2030214566 ZBCRXWBIBBYOOB-CYBMUJFWSA-N 520.455 6.768 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 2097834530 LYCLXVGTCUTKMR-CYBMUJFWSA-N 538.807 6.937 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1Cl 2136967866 ZENSEZXWZDBEQJ-MRVPVSSYSA-N 560.277 7.452 50 10 KKGE CC1(C)C[C@@H]1CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472701 HCTKAXLWBZVZIY-YUMQZZPRSA-N 582.794 7.999 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Cl)c(C)c(Br)c2)s1 2167385888 XMNFSHLTGJYZKM-CYBMUJFWSA-N 503.481 6.866 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2167393275 AKWCJXBOANMWAL-CQSZACIVSA-N 505.834 7.450 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Cl)ccc2I)c(Cl)c1Cl 2203434103 VZAKDKUWCNVVDV-GFCCVEGCSA-N 506.392 6.744 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c(C)c1Cl 2232526643 JUKNHTGRQCYOCH-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2248214532 QOEXMQHPKQQLGO-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)ccc2Br)c(Br)c1C 2253473098 KQKYQQGHDOMZEF-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Cc1sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2263445128 ACECUGQXFPLHAY-LBPRGKRZSA-N 517.906 7.023 50 10 KKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2293202166 NDGAXGCCAVSGSO-UHFFFAOYSA-N 504.826 6.805 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(C)cc1 2294619926 MUPNSLVPZRYSBU-UHFFFAOYSA-N 513.229 7.172 50 10 KKGE ClCc1csc(-c2sccc2Cn2cnc(I)c2I)n1 2294719038 KJROSSVEUPDFFB-UHFFFAOYSA-N 547.612 5.064 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295279241 LVWFTNFKGJXFDF-ZDUSSCGKSA-N 550.285 7.398 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)cc1 2296073663 SKCPOVZZXZJQJB-RUZDIDTESA-N 502.039 6.330 50 10 KKGE Cn1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)n1 2299531547 WWUDJPFJQAFYHV-KRWDZBQOSA-N 515.043 6.008 50 10 KKGE Fc1ccc([C@H](Cl)c2sc(Cl)cc2I)c(I)c1 2301087229 VZVMXSKRUZGKIK-JTQLQIEISA-N 512.940 6.078 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1 2313518051 AWSVHNAVTKCRML-UHFFFAOYSA-N 617.281 6.804 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C)cc1 2313570615 BDUBIJDZXTYGNT-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE Cc1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(I)cc4)cs3)o2)c([N+](=O)[O-])c1 2314490298 ZMIYDURDNRFEKL-UHFFFAOYSA-N 539.354 6.956 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccccc2C)C(=O)N1c1ccc(C(C)C)cc1 2314592535 WVJKQVSLBPDXOG-HHHXNRCGSA-N 511.647 6.192 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314611269 RWVOOIAUNIGJKW-UHFFFAOYSA-N 591.111 7.554 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2316729830 GQVITDRPZZNDJW-QMMMGPOBSA-N 566.711 5.954 50 10 KKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1c(Br)cc(C#N)cc1Br 2329697209 SDWXUOLXWIBCSQ-UHFFFAOYSA-N 509.983 5.391 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1=O 2331251200 JFJDDVHOOYMJBF-CYBMUJFWSA-N 514.390 5.749 50 10 KKGE CC[C@@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 2331396790 DQUIWMUGANKNBQ-CRICUBBOSA-N 513.663 6.920 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccccc3Cl)cs2)cc1OC 2331430511 CEJWZVKVWBHBOX-UHFFFAOYSA-N 517.876 7.868 50 10 KKGE CC(C)(C)[C@@](C)(CBr)CS(=O)(=O)c1cc(I)ccc1Br 2380275295 NJFXGQGWDMWFCI-AWEZNQCLSA-N 538.083 5.275 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 1793707 XQXVRNMKUYUXBA-JXAWBTAJSA-N 577.018 6.605 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)C(c1ccccc1)c1ccccc1 14642157 JHLYEORQRFIIRR-UHFFFAOYSA-N 515.407 5.474 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=C(Cc1ccccc1)Cc1ccccc1 20826839 DTCLYGHJFKPHGX-UHFFFAOYSA-N 504.637 6.034 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 33380627 ZBUULNRSDONWRJ-OOAXWGSJSA-N 510.597 6.972 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)c1 38679931 IFGLDHBACMGXQU-XMMPIXPASA-N 509.389 6.610 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 38683777 LSUWQRCTOOLCKA-AREMUKBSSA-N 504.970 5.965 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813435 ANLBBGJZKDALIX-MTDXEUNCSA-N 515.353 5.834 50 10 KKGE CC(C)(C)c1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 100066364 JZUPYVZNRKUHHL-UHFFFAOYSA-N 536.717 5.235 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(C)cc1 100227530 UZLZQUWTWDQCIP-FYJGNVAPSA-N 538.385 6.123 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc(F)c3)cc2Br)cc1 100233541 BBTLQCQPLHQCJQ-APTYXWLQSA-N 573.459 5.929 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 100236842 GBZHGZNSWYWTKI-POBUXNOSSA-N 531.436 5.944 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 100335767 XFUGDJGGSGWINV-LICLKQGHSA-N 532.221 6.889 50 10 KKGE CN(Cc1ccccc1)C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 100921614 PFGOJLOAIWXUIG-JEBQAFNWSA-N 508.092 5.331 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 101115311 CAQAIFJNOVJLOP-UZYVYHOESA-N 536.588 5.507 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101368084 LQIWBUCYJVFYIU-MUUNZHRXSA-N 597.495 7.407 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCCC(C)C 101368228 YRSVSJSMUSXUSP-GDLZYMKVSA-N 593.474 6.085 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 101374603 YMDJNPYZKRGXTO-HKBQPEDESA-N 556.659 6.474 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 101379228 UNSNSJIRSSYSJK-GDLZYMKVSA-N 621.904 8.062 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381116 KULUKEXSVVUGIN-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101387772 WQIWODBRUJKGEG-WJOKGBTCSA-N 577.593 6.318 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4)cc3)oc2c1 101390964 VECIQHNYRHARDA-YTTGMZPUSA-N 556.618 7.374 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101393416 FAQVAFNSVXJTFN-MUUNZHRXSA-N 549.023 6.219 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396630 YOHODJKXVIPTTC-JOCHJYFZSA-N 537.424 7.044 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 101397020 CLBSHRJEYNOHIF-GDLZYMKVSA-N 536.628 7.364 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](Br)[C@H](Br)c1ccccc1 101633059 HUVFLYLOFZETGG-VGEXCLFWSA-N 575.684 7.218 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1 102848473 AKCHCINAHVHOGY-HEHNFIMWSA-N 563.683 5.997 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OCc1ccccc1 102933060 GEBJGOBIZYCGEK-MFOYZWKCSA-N 589.773 5.986 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OC(=O)c1ccccc1 102933083 WVBCNAQSOFUHKG-SXGWCWSVSA-N 556.756 5.784 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 103796860 BLNYDYKFLCUKDY-LUOAPIJWSA-N 607.642 6.862 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1Cl 103797596 GKZNGVVOJMQHED-JEPNHJGPSA-N 565.073 7.064 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(C)cc2Br)cc1Br 128739394 MYLQKTDFYGMLGR-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 150442972 LGSGGSORCKFBNY-YTTGMZPUSA-N 635.475 7.313 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 150443042 GGEHGNATWYGUOK-WJOKGBTCSA-N 649.502 7.946 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Br)c1 150478790 KDERLBNMZDAIKD-PNQUVVCRSA-N 681.859 7.819 50 10 KKGE COc1ccc([C@@H]2C[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)[C@H](c3ccc(OC)cc3)[C@@]2(C#N)C2=C[C@@H](Cl)[C@H](Cl)C=C2)cc1 150493447 XKRMSAFBQDWAPH-BVTHUYPGSA-N 664.629 8.583 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)sc2Br)c1 161284510 PDZXHNTWLAGXKZ-NSHDSACASA-N 503.879 6.828 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1 163796095 JJPBDJIQUAEVFA-XICOUIIWSA-N 641.509 7.409 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 198742889 FVAKAWIEJZUHSI-KKMKTNMSSA-N 549.208 5.372 50 10 KKGE C[Si](C)(O[Si](C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 205308259 SQLCPEYKTSMLFG-UHFFFAOYSA-N 560.711 6.629 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214323626 VXWOROZPCHLIJZ-GPMZVODXSA-N 534.616 5.184 50 10 KKGE CC[C@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217188766 AFGNTWCXEWEKQR-GRSMMZSBSA-N 518.705 5.947 50 10 KKGE COc1ccc(Cl)cc1C=NNC(=O)COc1c(Br)cc(Br)cc1Br 254310210 UYRBMBLYJWYIOO-UHFFFAOYSA-N 555.448 5.165 50 10 KKGE CCCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1 254600835 KSULXPVNARKIDR-UHFFFAOYSA-N 546.259 6.343 50 10 KKGE O=C(CNC(=O)c1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254762566 GUNYHPNACFLWCT-UHFFFAOYSA-N 571.589 5.158 50 10 KKGE O=C(NN=C(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 254834303 CJARDZBGEVHIIF-UHFFFAOYSA-N 503.605 7.751 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)cc1 254861031 YYFNSLGZEWZKNC-UHFFFAOYSA-N 582.509 6.226 50 10 KKGE O=C1Cc2cc([C@@H](Cl)c3cc(Br)c(Br)s3)c(Br)cc2N1 380226087 KLEHVQBCPJHANI-GFCCVEGCSA-N 500.437 5.858 50 10 KKGE Br[C@@H](c1ccc(I)cc1)c1cc(I)cc2c1OCC2 388578149 VSHXYHZDUSHPCI-AWEZNQCLSA-N 540.964 5.315 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@H]2CCc3ccccc3N2S(=O)(=O)c2ccccc2)cc1 616668083 GJDRTWVBIRCWML-MUUNZHRXSA-N 507.772 7.134 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616690638 AGVGARCDVYETCC-AREMUKBSSA-N 511.783 6.749 50 10 KKGE Cc1ccc(S(=O)(=O)NNC(=O)[C@@]23C[C@H]4C[C@@](c5ccccc5)(C2)C[C@](c2ccccc2)(C4)C3)cc1 725397657 LHKQOWZXSUYMAP-KRHMVHOASA-N 500.664 5.165 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725435894 YQXSBXHCBUMHQN-UHFFFAOYSA-N 623.573 5.909 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)o2)cc1 1083917600 HIZPLEILVFNAOJ-UHFFFAOYSA-N 610.486 5.231 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1083993211 UFXJPWBXIMGOQQ-UHFFFAOYSA-N 629.964 5.864 50 10 KKGE C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccc([N+](=O)[O-])c1 1083995832 WURFYXRTBGAEHD-ALCCZGGFSA-N 567.258 5.041 50 10 KKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 1084113202 HDHSWZRXHLJVEZ-XDHOZWIPSA-N 504.373 6.329 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1084226638 HBYXBRKBXXILRP-UHFFFAOYSA-N 612.771 7.272 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 1084322325 QKSYCWFDJAUSHC-UHFFFAOYSA-N 774.102 6.412 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(I)cc1 1084581043 IDOZVEJYNZEGOB-RUZDIDTESA-N 584.454 5.571 50 10 KKGE CN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015128 ZUDSRTIHRVOPBW-IQIBAHNESA-N 632.514 5.241 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc(C)c1Cl 1772745868 LUXWADGTJIHQJW-UHFFFAOYSA-N 519.812 6.855 50 10 KKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 1772749361 LZFQKYLURNEVTM-UHFFFAOYSA-N 522.355 5.490 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc(Br)c1 1865683627 GJPLZDREZKWVFZ-OAQYLSRUSA-N 548.238 6.282 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687353 PDMZZICWUSEKNF-NDEPHWFRSA-N 536.632 6.020 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865691644 XGDXSZFUCGNTOX-GDLZYMKVSA-N 550.659 6.321 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695374 NWZYTQPKALPGKL-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCCCc1ccccc1 1865695957 AUCDYOMFWSWYEQ-MUUNZHRXSA-N 527.024 6.073 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865697003 MVMSFASVCZCOLM-MHZLTWQESA-N 557.050 6.274 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865700649 AFRLRHKLLGKVCZ-QHCPKHFHSA-N 552.940 6.350 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701484 WPYNPAWFJVYURV-GDLZYMKVSA-N 519.004 6.785 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705103 MGAPSSDPKRXRLL-NDEPHWFRSA-N 575.024 6.639 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707074 NAZCSBXIBIGUAK-GDLZYMKVSA-N 519.649 6.078 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1 1865707416 WQKVORZLEAAUKD-HKBQPEDESA-N 553.666 6.793 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711548 BCCQOTTWZRNHJX-HSZRJFAPSA-N 527.924 5.090 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712145 QLZIGDNVHIWGKB-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986661 OFXRGOWQFJWUDZ-IZLXSDGUSA-N 545.661 5.299 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1OC 1868231594 LSXDJJGICWHWRF-UNMCSNQZSA-N 505.644 5.636 50 10 KKGE Cn1cc([C@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)c2ccccc21 1868364595 AJLWFHPPRNMJTH-NDEPHWFRSA-N 531.645 5.630 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)n2)cc1 1868528027 NFVJRKNMEPQMQA-AREMUKBSSA-N 537.693 6.802 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 1872745087 VREKVOWIIULGEE-RFBIWTDZSA-N 520.614 6.294 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1OCc1cccc(C)c1 1872781756 OUSHLHWHEZXFAP-UDWIEESQSA-N 507.442 8.077 50 10 KKGE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)sc(/C(C)=C/C#N)c1C 1873427388 SOGRXIBOIKKPMI-RVDMUPIBSA-N 513.575 5.440 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1nscc1Br 1899887137 YRNDLRFLNODUKG-INIZCTEOSA-N 518.068 6.731 50 10 KKGE COc1cc(OC)cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923070977 FZIWNWIIESOCFU-JTQLQIEISA-N 505.453 6.428 50 10 KKGE CC1(C)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924613638 SPVILJNYCVRIBH-SVRRBLITSA-N 539.953 7.065 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1csc(I)c1 2023697881 KPPHPYCBJJJRNZ-GFCCVEGCSA-N 506.428 6.561 50 10 KKGE COc1c(O)c(C)c(CCCCCCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c1OC 2055496724 BAWSVHDLRYNCLM-UHFFFAOYSA-N 586.753 7.813 50 10 KKGE CC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2069944339 IXCCNHBGPNFRBE-ZETCQYMHSA-N 531.880 7.297 50 10 KKGE CC[C@@H]1/C=C(\C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 2070816464 KASDHRXLYQOAKZ-PKDOEZCWSA-N 810.466 5.719 50 10 KKGE CCC[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494602 MSWMQNQMKXTTCK-HHSDFAELSA-N 524.316 7.453 50 10 KKGE Clc1ccccc1C[C@@H](Br)c1ccc(Br)cc1I 2086146416 ZKIZZZIIBJEQTQ-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2CCCC[C@H]21 2141470814 LAMOTYPDGVWGJM-JJNWXHLYSA-N 536.327 7.453 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141475348 MAWOQNBPONJRTC-RYUDHWBXSA-N 586.738 5.978 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)s1 2142290667 DMIRYXKKPIODAA-GFCCVEGCSA-N 580.905 6.508 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2203682478 FFWSFHPTYXUNQG-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2CCC[C@@H]2C1 2206396226 UNRFJMHCMYSIKQ-MSSHPPKDSA-N 550.354 7.843 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2ccc(I)cc2)c(Cl)c1Cl 2224317052 KEUGZITZOCILTG-LLVKDONJSA-N 510.811 7.342 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1 2225635946 YHURLQQJHKXXQT-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2ccc(I)c(C)c2)s1 2233024704 XJBBYDFNHNKILY-AWEZNQCLSA-N 530.063 6.444 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2scnc2c1 2278611516 RDQPDVDHSAVAFP-SECBINFHSA-N 502.478 7.021 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1scc(C(F)(F)F)c1Br 2282785445 UKIHTKJFEMBQLT-JTQLQIEISA-N 543.943 6.757 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)cc1Br 2282908131 XNEXADXGGAZJQR-CYBMUJFWSA-N 509.797 7.281 50 10 KKGE Clc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)cc1I 2283575759 XZBBZQNATPDRIY-HNNXBMFYSA-N 528.409 6.126 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 2293225698 HYAGGROAYXSWTE-UHFFFAOYSA-N 629.544 6.980 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(F)cc1 2294511037 ZAYFJNKTRXPBCF-UHFFFAOYSA-N 518.894 7.021 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1c(C)nsc1Br 2295265006 MAZHGNXBZQHWQL-NSHDSACASA-N 504.469 6.431 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2296515862 VUNSKLXNHPLZTO-UKIUJSSHSA-N 641.142 11.582 50 10 KKGE COc1ccc(C=CC(=O)NN(C(=O)C=Cc2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1OC 2296682524 ULJQVDZKNUMTOD-UHFFFAOYSA-N 545.617 5.122 50 10 KKGE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc3ccccc3s2)c1 2297468951 GHBXJJKEEFPESR-UHFFFAOYSA-N 511.632 5.463 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C=C(C#N)c4nc5ccccc5s4)cc3)cc2)C[C@H](C)O1 2297476820 UYHHGHATHSRWIJ-PMACEKPBSA-N 559.669 5.378 50 10 KKGE N#CC(=Cc1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313630538 BKSWPEHCVOJJDO-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314501322 WIXWZOWRXRIORN-LJQANCHMSA-N 529.041 7.414 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594143 ZPTDDYUBAYFCCL-SIBVEZHUSA-N 516.066 6.206 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617799 AZGSHTNURPYRPS-UHFFFAOYSA-N 503.385 6.365 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314618509 ORPSLXOMABQTRY-LJAQVGFWSA-N 605.094 6.543 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634710 CBWNUMLVJJPTRK-SSEXGKCCSA-N 510.590 6.020 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634748 FKBHVWYPOHXFII-LJAQVGFWSA-N 565.453 7.018 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C(=Cc1ccccc1)c1ccccc1 2314754041 JDYAQSZXCXSDSN-UHFFFAOYSA-N 518.569 6.048 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(Cl)cc1I 2317774157 OXTOEHBESZVPNO-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE FC(F)(F)[C@H]1C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2327681729 MUFNMFORCJLLDA-ALEPSDHESA-N 535.843 7.060 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)cc1OC 2331232841 QPXAKTBBFOOINT-UHFFFAOYSA-N 511.559 6.769 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OCCC)c(OC)c3)n2)cc1 2331445145 LRUIEZDLFBYEHY-UHFFFAOYSA-N 513.457 7.223 50 10 KKGE Brc1cccc(Br)c1CO[C@H]1CCCCCC[C@@H]1I 2340566957 ZDVLMMQGSNDXQO-GJZGRUSLSA-N 502.028 6.255 50 10 KKGE FC(F)(F)[C@H]1OC2([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)CC1C2 2361172291 OCSCQGOKHUBUBN-BHJVWRQASA-N 506.156 6.574 50 10 KKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(OC(F)F)cc1)Nc1ccc2c(c1)C(F)(F)C(F)(F)O2 8448221 PBIHJWNNRVBPIH-BIZUNTBRSA-N 509.406 6.134 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14649798 XAXBPKNITNDRNH-GFCCVEGCSA-N 504.208 5.163 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCc3ccccc3)c2)C1 29503190 SINQUFVCTNVCEK-BYEYKRMRSA-N 565.699 5.183 50 10 KKGE N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 33355067 REIQMMPIIMCTFD-CHHVJCJISA-N 578.091 8.038 50 10 KKGE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccc(F)cc3)c3ccccc32)c(Br)c1 33356005 SWWSHKYOXLBVJN-LELUDANCSA-N 608.467 5.863 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OCc1ccccc1 33415361 ZLEFRZDQJSDCSH-CIAFOILYSA-N 503.421 7.224 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 33525502 JSLCCATUTJEXQE-STZFKDTASA-N 503.628 6.032 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC(=O)c4ccc(Cl)cc4)c(OC)c3)n2)cc1 35073840 XFEZZFABZJPUDN-BKUYFWCQSA-N 517.006 6.807 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 38649819 RSHDCVNCBFVGAP-HHHXNRCGSA-N 517.025 6.457 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38660183 NIWAHMAAFWFVDB-SANMLTNESA-N 504.970 5.965 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)cc1 38679231 LRDRQOONGVBUNK-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 38688199 DWBJGXVQJTTXAY-NRFANRHFSA-N 503.923 5.900 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4c(C)c(C)ccc4c3C)ccc21 38700828 YDTACTPNALINAU-NDEPHWFRSA-N 522.601 6.974 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 38701211 CUYGIFDBINQDAG-VWLOTQADSA-N 500.938 6.231 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 39858629 QTNHNNHUZCUBGB-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235293 XJAIONCONXPKPP-VVBXCHJUSA-N 560.202 5.386 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242102 HHAMYLMAOGQTPV-GFPZRUSRSA-N 559.997 6.257 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244742 UTYRBCACOVAJQY-FYAMCCBRSA-N 538.456 6.457 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101295941 CJCBTFJOORHNFE-QHCPKHFHSA-N 583.880 7.864 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101332247 DQTJNUSTEARGPD-WGOQTCKBSA-N 535.003 5.994 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C1=O 101334391 QGKIGFYYEOGTJL-ZDBASLRZSA-N 597.741 5.351 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C2=O)cc1 101339985 IQGLVBPNEDFARO-ZUXQIOPWSA-N 570.649 5.972 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 101368179 SXSCAANGSSARGR-UMSFTDKQSA-N 574.677 7.220 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OCC 101373633 KNAMCUKDYDEVOK-GDLZYMKVSA-N 530.577 5.085 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1OCC 101373868 MDPHRTQZVIJJAM-PMERELPUSA-N 544.604 5.475 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381716 IZOHEHGASJOWCV-YTTGMZPUSA-N 546.623 6.738 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386130 UXEIXHORGQEAHD-LJAQVGFWSA-N 583.984 6.273 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCc1ccccc1Cl 101388110 FXFXOVFEPUMCBT-MGBGTMOVSA-N 613.066 6.529 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccccc1F 101388971 LSDJKJONLSKQMU-JGCGQSQUSA-N 626.637 6.267 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(Br)c1 101391290 SIUWZUNYNJUOGE-NRFANRHFSA-N 537.822 6.755 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OC 101393238 HKYLMLNEXLLWDM-SSEXGKCCSA-N 587.072 7.718 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101393702 REFNWSMDQNIVOK-LJAQVGFWSA-N 528.520 6.023 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 101397777 GAMJHDBLWBDIGP-MUUNZHRXSA-N 591.422 7.157 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594689 LAZQVOJHMUMGAZ-OVVQPSECSA-N 547.780 5.569 50 10 KKGE CCOC(=O)C1=C(NC(=O)/C(C#N)=C/c2ccccc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1 101639091 QXLHVKBUKVLPPR-SBICLSTASA-N 500.554 5.862 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OCC)c1 101673888 YFRGEXCFVSRHJV-GORFKQKZSA-N 562.018 6.415 50 10 KKGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br)CO2 101953802 OSDHLLMZCUZNFG-VFUUKXORSA-N 591.094 5.267 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccs2)c(OCC)c1 102350011 AVSOYKLFAIYYAJ-PDGQHHTCSA-N 538.647 6.273 50 10 KKGE COc1ccc(N2CCN(c3ccc(NC(=O)C(C)(C)CCl)cc3S(=O)(=O)N[C@@H](C)c3ccccc3)CC2)cc1 103175247 IENGHKSUYCCWBO-QFIPXVFZSA-N 585.170 5.265 50 10 KKGE COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1C 103796306 GQXYFBXCBLBLSN-XICOUIIWSA-N 544.655 6.719 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 105436845 RQKUACHPEYGBNA-NDZAJKAJSA-N 549.627 6.904 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 150382973 PMJZMTHZCZGCFQ-BAAUMNHKSA-N 685.256 5.347 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214402155 KYHLNJLYIYCMAB-YQYKVWLJSA-N 588.733 6.885 50 10 KKGE CC(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC(C)C 225753552 NHYKHKIVXPUTQV-UHFFFAOYSA-N 547.107 6.130 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(OC)c1Br 234972238 BIEFHODFFFFQQN-SNVBAGLBSA-N 549.904 6.537 50 10 KKGE CO[C@@](C(=O)O[C@H](C)[C@@H]1OC(C)(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)(c1ccccc1)C(F)(F)F 238791040 BDGRENIBKYGFGK-YQYRJILISA-N 506.634 5.564 50 10 KKGE CCO[C@@H]1[C@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 252865685 QPSJMKIFWVWIGA-CKYFFXLPSA-N 507.842 5.294 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(-c4ccccc4)cc3)n2-c2ccc(OC)cc2)cc1 254376146 PCVYMPXIABFWTB-UHFFFAOYSA-N 563.683 6.251 50 10 KKGE CCCc1ccc(OCc2ccc(C=NNC(=O)c3ccc(Cn4nc(C(F)(F)F)cc4C)o3)cc2OC)cc1 254790486 DZUWVATZIMBDHY-UHFFFAOYSA-N 554.569 6.156 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)sc2c1CC[C@H](C)C2 254815810 FDHJERAJKWSEBH-FQEVSTJZSA-N 627.719 5.910 50 10 KKGE C=CCOc1ccc(Br)cc1C=NNC(=O)c1cc(Br)ccc1OCc1ccccc1 254861026 YTXHGOIGJQJUNZ-UHFFFAOYSA-N 544.243 6.119 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 256833454 WBXYUFMFVHCXRR-ZRRBMYGLSA-N 683.882 6.083 50 10 KKGE Clc1cc2ccccc2c(-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)c1P(c1ccccc1)c1ccccc1 725335384 ZMCTWDUOCIKOBT-UHFFFAOYSA-N 657.133 9.830 50 10 KKGE CC(=NNC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccc(Br)cc1 1081105065 NKFLSLNBOURXQR-UHFFFAOYSA-N 534.361 5.931 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)cc2)cc1 1083928758 XHJJMXXZTJRHDC-UHFFFAOYSA-N 582.509 6.226 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1083941375 KZPJGNFNVUBLPA-UHFFFAOYSA-N 540.856 5.309 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(I)cc1 1083973307 DTLYZOUPLWYFGB-LDADJPATSA-N 593.248 7.121 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084000453 FDMYBQPGLPODJZ-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])c(Cl)c1 1084101021 OBKVXQSAFYFFBE-UHFFFAOYSA-N 519.714 5.166 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 1084115100 RPZFCFALGXZYHG-UHFFFAOYSA-N 532.778 5.671 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084264545 SZHKSQJAXLPKMJ-RUZDIDTESA-N 681.365 6.394 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)c1 1084277850 LVHIOIVHXIAXFH-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1084284998 ZHGKTGATQWZZNS-MUUNZHRXSA-N 547.051 6.443 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084357581 OWCHDHJFFKYYDX-XYEMOUPBSA-N 598.599 9.266 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(F)cc1 1084379346 LGLFVMVKOJEJGQ-MHZLTWQESA-N 569.471 6.258 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=NNC(=O)c5ccccc5)(c5ccccc54)[C@@H]3C2=O)cc1 1084404331 DKNJCXNFEYEIPD-JAIBZDORSA-N 541.607 5.052 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(F)cc1 1084477111 HIWIWKCTRMVEHR-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C 1084536818 MYOFXHSBNRLYMF-UHFFFAOYSA-N 542.705 5.872 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1 1084549417 JEESAGIVMXXMLS-HYARGMPZSA-N 550.428 5.432 50 10 KKGE Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2Cl)c1 1084567144 XXPKANSBSQDUIF-RQZCQDPDSA-N 506.216 7.733 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(C)c1 1084604702 MXELIUTURCOWPK-LFVJCYFKSA-N 502.014 5.492 50 10 KKGE C=CC[C@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O[Si](C)(C)C)/C(C)=C/[C@@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C3)C[C@H]1O)[C@H](C)C[C@@H]2OC 1848433142 LGYWRDLXHKTNGB-WMIQWVDJSA-N 992.494 9.320 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688970 GHXMRQLEDRFTQZ-IBGZPJMESA-N 515.795 5.173 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691499 UFZKSKJDWULNIC-VWLOTQADSA-N 525.024 6.082 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694290 WKANTJMIEHOXBI-MHZLTWQESA-N 511.025 6.584 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865696024 JUGCZFRKEAMZNI-SANMLTNESA-N 521.061 6.664 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865696258 LHJSVWZOIAEMQD-OAQYLSRUSA-N 554.231 6.532 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696770 KDUVWEDKOSOPPA-JOCHJYFZSA-N 541.421 5.411 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697442 SMXWBIKQMHHFON-GDLZYMKVSA-N 555.078 6.386 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698132 LHNWEKGTGPIZCE-AREMUKBSSA-N 573.491 6.754 50 10 KKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712300 VDBGFFPXSAVLQK-GDLZYMKVSA-N 520.633 6.232 50 10 KKGE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866847727 RDAMSPAGJCEOFN-DEOSSOPVSA-N 576.476 5.202 50 10 KKGE CSCC[C@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866934303 WWDVCUGZIRBYIL-VWLOTQADSA-N 567.111 6.620 50 10 KKGE COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 1872727363 UZXUHCXRHVMBEO-LPYMAVHISA-N 510.999 5.321 50 10 KKGE CC(C)C[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872743736 JSEYPJXPKUZLKY-FTDPUFCBSA-N 519.626 6.981 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 1872756122 RXTWKYNGBNJICX-DCBAJMHUSA-N 513.707 7.387 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4)cc3)n2)c2ccccc12 1872758454 ATXCAMVLJWHRTL-IORUJGRVSA-N 516.622 8.057 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2coc(Br)c2)c1 1899862785 UZPGDIILTBGJLO-SFHVURJKSA-N 501.012 6.868 50 10 KKGE Cn1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)nc1Br 1923039736 QKNJALRKPIHXEO-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE F[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924569833 AUYJNOXQBKSMBL-BBVRLYRLSA-N 513.890 7.000 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCC3(CC3)C2)c1Br 1924609504 YORJJNDYCCREIR-IONNQARKSA-N 521.938 7.442 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924617043 WSOYDMRTHLDQQC-VIFPVBQESA-N 556.314 7.574 50 10 KKGE Clc1nc(Cl)n(-c2ccc(I)cc2Br)c1CBr 2006647796 KXSYOANDCFINLS-UHFFFAOYSA-N 510.782 5.441 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1sc(Br)cc1Br 2013205329 RWZOXOVMFNHERR-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2043568397 BZPXRHXESHUGKS-QZCCETNPSA-N 535.843 7.060 50 10 KKGE FC(F)(F)CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2056618224 CYPXXBBNWHLVNV-LURJTMIESA-N 535.843 7.204 50 10 KKGE C[C@@H]1C[C@H]1CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085497166 ZBBPTFGJSRSBCG-BRDIYROLSA-N 524.316 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2CCOCC2)c1Br 2141471723 VIJNXKXMBJBOJO-MRVPVSSYSA-N 584.766 6.989 50 10 KKGE COc1cc(Br)c([C@H](Cl)c2csc(Br)c2Br)cc1OC 2150344948 XBAJNFJYHDNFRP-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE CCOc1ccc([C@H](Br)c2c(Br)cccc2Br)cc1Br 2150492573 BJGJDSSZKQCNRU-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE ClCc1nc2cc(Br)cnc2n1Cc1scc(Br)c1Br 2150561868 KBTBAVVWFNUSAK-UHFFFAOYSA-N 500.441 5.567 50 10 KKGE O=S1(=O)C[C@H]2[C@@H](C1)[C@@H]2[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398773 YTIXMZUOAXZLGL-RUPFFVNYSA-N 616.789 5.463 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232511887 RNVVHYUYJUKVND-NSHDSACASA-N 589.707 8.152 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)c(C)c1Cl 2232525621 DKDJHUMAQMZGTN-AWEZNQCLSA-N 593.322 7.571 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2241002010 SNPJKQULOVDOAY-INIZCTEOSA-N 572.904 7.226 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(I)cc2)c1 2263516921 JXSVJDSVXWURBM-AWEZNQCLSA-N 544.850 6.495 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cccc(Cl)c2Br)c1Br 2283187409 GJUURRCPMMZQQP-SECBINFHSA-N 513.398 7.430 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2C)cc1Br 2285983054 AVRZQDWWAKBTBY-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)ccc1Cl 2288353516 JTTWYXSBWLKJOA-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1ccc(OC(=O)C=Cc2ccco2)cc1 2293561012 HBWOTBQUOKOPHI-UHFFFAOYSA-N 503.352 5.507 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccccc1 2294619908 KQIMYADILGNAHI-UHFFFAOYSA-N 542.227 6.345 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506950 MQUPOOJTAVIENK-JOCHJYFZSA-N 573.299 6.821 50 10 KKGE CCOc1ccc(NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414547 HRUKYOUDBLOWTG-UHFFFAOYSA-N 532.578 5.119 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CC[C@@H]2C3)c1Br 2298607916 YOKOQVCFJZMIPW-YYWONIAYSA-N 507.911 6.908 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518529 HSVYWHIABHCXOA-UHFFFAOYSA-N 627.693 7.775 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(F)cc1 2313571107 NNRSRMJDJMDOKE-UHFFFAOYSA-N 564.238 7.418 50 10 KKGE Cl[C@H](c1ccc(Br)cc1I)c1cc(Br)ccc1OCc1ccccc1 2314444002 JDRJNRIIXFQQBS-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cccc(Br)c1Br 2314456786 ZVEBXEJHWBIXJR-IBGZPJMESA-N 589.947 8.037 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314591931 HYDVTCYMTNPJLY-AREMUKBSSA-N 516.066 6.837 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592829 CLVHCPQFPAFKNL-RUZDIDTESA-N 570.036 6.664 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OCC)cc1 2314593257 KJQAUBHSJLNBCJ-NRFANRHFSA-N 535.975 5.486 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594094 YZEZTGUQOUJNTG-XMMPIXPASA-N 506.027 5.799 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594098 YZGUGUANYDKRPV-SIBVEZHUSA-N 576.516 6.151 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314610813 MOUCWQJLWAOUOM-UHFFFAOYSA-N 645.546 8.218 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C(C)=C(C#N)C1=O 2314611246 RLLFYLPAUNBQLD-UHFFFAOYSA-N 508.622 6.029 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(C)=C(C#N)C1=O 2314611500 VVBZOJJCVYHTQF-UHFFFAOYSA-N 504.590 6.458 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314616421 ACIPUHJUBFJWOW-UHFFFAOYSA-N 526.564 5.604 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314616796 JYZMTBFHKMMCCK-UHFFFAOYSA-N 561.041 6.550 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646929 VAIWWADJAFUOHD-HHHXNRCGSA-N 648.741 5.172 50 10 KKGE COc1cccc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1OCc1cccc(Cl)c1 2328824653 IGYPNXVABYMSMI-NRFANRHFSA-N 504.027 5.317 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4ccc(C(C)(C)C)cc4)c(OC)c3)nc2c1 2331046483 GBAWJPPRSMMGPH-UHFFFAOYSA-N 523.589 6.071 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1=O 2331331905 HLHFCDDIBJIFIT-QGZVFWFLSA-N 508.043 6.615 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)CC1=O 2331350733 PJGOIFNFBDOHCZ-FQEVSTJZSA-N 515.679 6.833 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2csc(Br)c2)c1Br 2339691500 OUPKGEPHFJRDSB-LLVKDONJSA-N 533.905 6.837 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)c(Cl)c1 2365187028 WOVWTXPKJLFYGM-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365597828 KSJDGHZJQOWRAC-ZDUSSCGKSA-N 550.843 6.853 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccccc2[C@H](C)CC)cc1Br 14640640 JCZQYQSJFIVCFH-GOSISDBHSA-N 505.453 5.762 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(Br)c1 14832269 COKPVEDEDSOWMU-STQMWFEESA-N 518.235 5.263 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CCCC2 35128276 LCGBYXWFOHGJKG-SSZFMOIBSA-N 505.552 5.826 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 38651509 VNRKZPJUAQGQOG-LFVRLGFBSA-N 509.331 5.179 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 40910960 BPBXWKGNAUVBKB-OGLMXYFKSA-N 511.416 5.833 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1C 58832881 GLOLRIMEMYVFGA-ZMOGYAJESA-N 521.617 7.485 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(Br)c3)c3ccccc23)c(OC)c1 96438703 PRVUNDCAGXJFDV-UYRXBGFRSA-N 516.395 6.015 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 100092258 RQRQDKVEEDELCQ-UHFFFAOYSA-N 540.483 5.128 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101334990 DPFYXGSEWCVOPG-UZWMFBFFSA-N 611.101 7.564 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101338119 OFWANCIFRAYXQS-OCSSWDANSA-N 542.683 6.175 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C2=O)cc1OC 101339138 WANACNQGBUKVBO-OVVQPSECSA-N 604.663 5.409 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C1=O 101341060 ZEYNUVRAOJWOQL-RDRPBHBLSA-N 607.066 5.927 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 101374697 MFVHHUYJOVRLBY-JGCGQSQUSA-N 556.659 6.474 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382970 SBWDGCUDAGHQQZ-SSEXGKCCSA-N 553.014 6.755 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383184 PBPRGNMNGIPPJX-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384099 MDKVLVAEMRWIMA-PMERELPUSA-N 591.422 6.914 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101390207 OAGFAHMEYBQZSY-NRFANRHFSA-N 523.397 6.654 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(Br)c1 101391307 WLAYEVWDTGCAOM-HXUWFJFHSA-N 606.712 8.061 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(SC(F)F)cc3)o2)sc2c1CCCC2 102942247 KYCSCNRIAQJVPY-SSZFMOIBSA-N 528.602 6.924 50 10 KKGE Cc1ccc(Cc2nc(N3CCCN(C(=O)C(C)(C)CCl)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 103138947 HKLWJGUWCKFGAK-UHFFFAOYSA-N 549.094 5.466 50 10 KKGE CC1(C)OC(=O)C(=Cc2cc(Br)c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)o2)C(=O)O1 105428300 YLKCAXYQAGZXBO-UHFFFAOYSA-N 576.383 6.071 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)C1 110559502 XEIMDICQGLNRNX-LNVYCVNDSA-N 572.712 5.298 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)oc2ccc(Br)cc12 150483471 HCZNTGAQLBSJHV-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)c1 150560946 YLBLEDQKJXUOFP-VCHYOVAHSA-N 654.673 6.982 50 10 KKGE C1CCC([Si]23O[Si]4(C5CCCC5)O[Si]5(C6CCCC6)O[Si](C6CCCC6)(O2)O[Si]2(C6CCCC6)O[Si](C6CCCC6)(O3)O[Si](C3CCCC3)(O4)O[Si](C3CCCC3)(O5)O2)C1 195812436 AGTRPNOJNNKTIV-UHFFFAOYSA-N 969.692 11.318 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 205651040 LFRRHRCVYCSHSS-KZCWDXHSSA-N 566.698 7.255 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 206740084 QDWWRFHWUKZIFY-NKFKGCMQSA-N 530.621 5.964 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2)cc1 210609291 NEOKTSOWGLUUDQ-XJODSAATSA-N 532.577 6.608 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214345362 RABBWGCVFUNJGI-CEUNXORHSA-N 526.640 6.300 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(Br)ccc3I)ccc2O1 235766640 JBRZYDWHEKNNGP-XXFAHNHDSA-N 507.991 5.861 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254313287 ROPKIXCJYHZFGA-UHFFFAOYSA-N 550.784 9.016 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254484732 YYLFBXFMVQQLNL-WEBVPECASA-N 505.659 5.793 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)ccc1OCCOc1ccc([C@H](C)CC)cc1 254523564 MHDZEFJTOWOFCS-JOCHJYFZSA-N 615.756 6.162 50 10 KKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1cc(Br)cc(Br)c1O 254611955 JOASHWJFUJMMQP-UHFFFAOYSA-N 533.014 5.008 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1 254722429 YHFXZUXSTYUBFV-UHFFFAOYSA-N 528.564 5.971 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(OC)c1OC 254827238 MVLUVOQMUYDMBW-UHFFFAOYSA-N 523.659 5.027 50 10 KKGE Cl[C@@H](c1scc(Br)c1Br)c1csc2c(Br)cccc12 705462276 DYJFIDUWMZWGTP-LLVKDONJSA-N 501.490 7.579 50 10 KKGE Clc1cc2c(cc1[C@@H](Br)c1scc(Br)c1Br)OCCO2 705466373 UGXNOXIFAZTASQ-LLVKDONJSA-N 503.437 6.182 50 10 KKGE CC(=NNC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 725383167 KPKJBQALGBDXQP-FSGGQHMVSA-N 563.123 5.781 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1cccc(Br)c1 725400032 HXNPVXLSDIRXJF-UHFFFAOYSA-N 565.493 5.446 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817679 XIJUVZWMRLQMRZ-ZLXLCYKHSA-N 834.994 7.822 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1083967864 REERAEHGHDHTRN-HNNXBMFYSA-N 561.263 5.633 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 1084091506 VRJBKEQUJNEFLL-NDEPHWFRSA-N 551.470 7.088 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc2ccccc12 1084446496 ITNVJUCKCZZZRE-UHFFFAOYSA-N 658.596 9.110 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(OCc2ccccc2)cc1 1084484039 ZRKQCEXSUUODJF-UHFFFAOYSA-N 568.265 6.473 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 1084493568 VJJHUMTVRYDINV-AREMUKBSSA-N 551.868 6.799 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1F 1084540939 UBCZUIPPTOZQDD-UHFFFAOYSA-N 511.347 6.076 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc2cc(Br)ccc2o1 1084598592 XFFDZBUDLVHYFS-UHFFFAOYSA-N 578.260 7.454 50 10 KKGE CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@H](OC(=O)CCl)[C@@H](COC(c5ccccc5)(c5ccc(OC)cc5)c5ccc(OC)cc5)O4)c(=O)nc3o2)cc1 1307318991 YURWKDZGGNYOEA-HMVVSKLPSA-N 777.314 8.853 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536927 AFNDTSIACJAGSO-JSPVHZSOSA-N 551.768 9.808 50 10 KKGE CC[C@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)OO[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)OOC(=O)[C@H](C)[C@H]2CC[C@@H](C[C@H](CC)OO[C@H](CC)C[C@H]3CC[C@@H](O3)[C@H](C)C(=O)OO1)O2 1615948732 QWCOEKSAEDVQDJ-NDOOYWFHSA-N 857.044 7.309 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689412 ROOPFJHJRXMECV-FQEVSTJZSA-N 529.822 5.232 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1ccccc1 1865693932 MZLDAPYSQUUMKT-AREMUKBSSA-N 508.578 5.292 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OC 1865695698 GRWBGESVYVIDOF-MUUNZHRXSA-N 551.647 6.129 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865696861 SCSQKQVIRIHCTF-OAQYLSRUSA-N 532.950 6.340 50 10 KKGE O=C(Nc1nnc(CCl)s1)[C@@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865898173 ZBEDXNFZFJITPV-SECBINFHSA-N 564.665 5.737 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866725835 VNHWUDUFKISXTQ-FQLXRVMXSA-N 543.758 6.817 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)c1 1872744403 QEWDBZINUNXCJF-BXVZCJGGSA-N 517.610 7.278 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)\c2ccccc2)cc1 1872755272 GKMRJDKZMLPISX-BLOQDEJMSA-N 510.615 7.259 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OC)c1OC 1872795248 VNRIMGHQUUQBEL-XSFVSMFZSA-N 519.022 7.132 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)cc1Br 1915173359 XNRLZNOGTBEMPO-GOSISDBHSA-N 566.153 5.884 50 10 KKGE FC(F)(F)CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 1923072740 RHSIHBJCTMZEKL-ZETCQYMHSA-N 505.419 7.485 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1OC 1924601954 PZPVAVWSBMEKLF-NSHDSACASA-N 505.453 6.381 50 10 KKGE CC(C)(CCCC[C@@H]1CCSS1)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1951899898 IKROPABYPQXLDV-KBMIEXCESA-N 513.725 7.109 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(I)sn2)c1Br 2056487628 NCIQSPLCSNJMEU-SSDOTTSWSA-N 532.970 6.075 50 10 KKGE Brc1ccccc1[C@@H](Br)CCc1c(Br)cccc1Br 2113442476 RKZQIMPPOANVLT-HNNXBMFYSA-N 511.877 7.043 50 10 KKGE C[C@H]1CC[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141471558 STPUMHLVPYAEIL-WFEFGEHDSA-N 538.343 7.843 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Br)c2C)c1Br 2201067996 CBORBJGVVVUTRX-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1I 2206408662 KSFWYILIHPICAU-CYBMUJFWSA-N 678.609 8.323 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c(C)c1F 2264471109 MGFKRDNPTWZUOL-NSHDSACASA-N 535.896 7.276 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Cl)c(I)c2)cc1Br 2268278274 NOSYQVXCXXSHFQ-CQSZACIVSA-N 534.844 7.106 50 10 KKGE COc1c([C@H](Br)c2ccccc2I)cc(Br)c(C)c1C 2284592963 WHOGDNFGPLCPKU-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)c(Br)s1 2285089556 LPEHTTGNVXYNTI-ZDUSSCGKSA-N 547.932 7.145 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 2293713060 RWACIMDUPAOLSE-UHFFFAOYSA-N 518.042 5.725 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc3sc(Br)cc3s2)c1 2295412375 WDMQAUAIRIDZFB-SNVBAGLBSA-N 559.968 7.929 50 10 KKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2296752732 VGENNNDZSOOXQO-UHFFFAOYSA-N 505.384 7.058 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1 2313518168 PBAFKOMULOZMMP-UHFFFAOYSA-N 552.412 6.431 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568205 SZRZFJGJIQTHSA-UHFFFAOYSA-N 536.415 5.557 50 10 KKGE CCOC(=O)COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571036 LXVDQCUTIISYAP-UHFFFAOYSA-N 671.056 5.690 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2313630483 ANSQCEJNDQOORN-UHFFFAOYSA-N 501.753 6.420 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NC1CCCCC1 2314475981 GVPWXRPABYECTQ-UHFFFAOYSA-N 557.720 5.460 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C)c(C)c1 2314591845 GBIYAAOBACYOEJ-VWLOTQADSA-N 551.590 6.396 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593495 NWEGXVUVYSCRHD-MHZLTWQESA-N 511.647 5.390 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 2314616484 BVVPEDLTVPUUJD-UHFFFAOYSA-N 536.701 6.966 50 10 KKGE Cc1ccc(SCCCC(=O)NN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 2321215826 URANPYDKNIXEHK-UHFFFAOYSA-N 506.071 6.705 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 2328835362 ZQFZRKQLZHRZNT-UHFFFAOYSA-N 501.599 5.339 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1C 2331485627 MUQPVZHFKLZVST-UHFFFAOYSA-N 502.639 8.232 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@@H]3CCCO[C@@H]32)c1Br 2333303708 QLDBYWIKYUBDNT-DXJPJRLNSA-N 582.750 6.598 50 10 KKGE BrCc1cccc(OCc2ccc(I)c(Br)c2)c1Br 2349802548 BCYQFEUDKHDOIT-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Cl)ccc2I)c1Br 2362252057 QHSTXUMPWPSZRI-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE COc1ccc(C[C@H](Br)c2c(Cl)sc(Br)c2Cl)c(Br)c1 2364188344 LTMFWTMGZXWRFP-VIFPVBQESA-N 523.899 7.267 50 10 KKGE Brc1cc(CN2CCC3(CC[C@H](Br)C3)CC2)ccc1I 2377316992 OHNCWZSHSJBMKM-ZDUSSCGKSA-N 513.055 5.583 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 3234587 BLWUYKLPNSUNAD-UHFFFAOYSA-N 576.703 6.924 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OC)c(OCc4ccccc4)c3)n2-c2ccccc2)cc1 8431267 WKLVRKWKNLOMGN-UHFFFAOYSA-N 579.682 5.773 50 10 KKGE CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CNc1c(Br)cc(C)cc1Br 33154854 UKMPYBLTJCJTGG-KAIWLTFOSA-N 507.270 6.261 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2S/C(=C(C#N)/C(O)=N/c3ccccc3C)N(c3ccccc3)C2=O)cc1 33416691 GIPNXPDQLYGUIN-SJUMRLIPSA-N 511.603 5.886 50 10 KKGE CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 33620559 KMBUQSUTPKNXBW-QPEQYQDCSA-N 509.154 5.373 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 38679414 XGPDGSTYGXHBIC-MHZLTWQESA-N 504.970 5.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCC(C)C 38684196 QMMLMPXGOMSTRO-LJAQVGFWSA-N 514.578 5.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686702 NHYCCVIWDFVXDJ-NDEPHWFRSA-N 508.961 6.356 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NCc5ccccc5Cl)c(C)c43)coc2c1 40826842 QKBYUPDYWGUDMI-WEMUVCOSSA-N 518.013 5.934 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cccc2ccccc12 59475511 KGVBZNQZCZUFGX-DSWROXKMSA-N 505.047 5.514 50 10 KKGE Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 59505928 AULCFEPXAABNAO-LGJNPRDNSA-N 500.780 5.079 50 10 KKGE O=C(NC(=S)NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OCCc2ccccc2)c(Br)c1 100212768 DKDYLJWTWHCNJH-UHFFFAOYSA-N 567.292 5.327 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 100883471 JKBKWBINQHSDFN-XHPQRKPJSA-N 528.587 7.112 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101314529 DNNLYTSZISZSTQ-AREMUKBSSA-N 523.372 5.761 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101332803 KXGJXZPALHIQMD-OVVQPSECSA-N 522.649 6.275 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 101333482 BLQRZZQGKDPJAS-JBASAIQMSA-N 611.768 5.886 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 101336161 OUQKQGLVPOLOQA-VUTHCHCSSA-N 552.675 6.044 50 10 KKGE COc1cc(/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101336362 XIARLBLWAIUHFR-HYARGMPZSA-N 509.002 5.335 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(Br)c1 101363633 AUGTZKFWQFNCEM-KRWDZBQOSA-N 567.264 5.347 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 101369121 RQXFJOUBXWYYIV-DEOSSOPVSA-N 525.786 5.477 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387181 LGSKUCPQMRQSBE-WJOKGBTCSA-N 587.003 6.269 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101393630 BQPHYPAIXUSIAU-VWLOTQADSA-N 579.834 6.912 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396843 GOEQOHXLLHAFOE-HHHXNRCGSA-N 573.443 7.120 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101397541 GWVXFBWMLRGVNR-IHLOFXLRSA-N 566.997 5.883 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccccc1Cl 101399166 ZGVIFPRYLZAVJB-WJOKGBTCSA-N 593.035 7.420 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399973 YVFVVBNSPZAEDH-JGCGQSQUSA-N 608.597 7.435 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613568 ADLMEIJZMLAAPY-KEVGJOBDSA-N 567.649 8.393 50 10 KKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)[C@H](Br)[C@H](Br)c1ccccc1 101652319 DJQQKYCOJMWPGV-IDLJWYJKSA-N 541.239 6.564 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1OC 101702152 SVZACLOBFDYXOE-ZXVVBBHZSA-N 594.664 6.246 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 101727639 OUZCOQRDNYEIPS-XODNFHPESA-N 528.486 6.938 50 10 KKGE C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)CCl)c1ccc(Br)cc1F 102776953 YIDVYOCYTSZLDA-JSVDNDDVSA-N 530.265 6.250 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 102935619 HFERIYWVMRPGDY-ZHZULCJRSA-N 539.053 6.978 50 10 KKGE CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OC)c1C 103633815 LJODIDQHZMEZSJ-LGMDPLHJSA-N 503.605 6.273 50 10 KKGE BrCCCN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103750066 AYMVXUGLEIARPE-FMQUCBEESA-N 570.010 6.186 50 10 KKGE N#C/C(=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 105913077 KGCYGKCKOYYGCF-PLRJNAJWSA-N 569.690 6.791 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1 150430502 ZQYFTUXLHCAPDX-PMERELPUSA-N 631.910 7.518 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(C)c1Cl 150479306 LABIXROXDPFXDO-HKBQPEDESA-N 635.931 8.045 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(I)c1OC(=O)c1ccc(OC)cc1 150587947 IMVIHLHIKRHMGR-YVLHZVERSA-N 692.260 6.134 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCCCCCCCCCCC 160672130 PLAPZBREYXTKCF-UHFFFAOYSA-N 883.359 14.385 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1 164637047 NLZCRYUJKPMPKR-ZSNJKBEMSA-N 673.405 8.329 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205653321 DIPDJGJEHZYFBE-GDPZGIOSSA-N 538.644 6.618 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 214298948 SMOVIDCQTIKVAL-GTWSWNCMSA-N 590.655 6.276 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1cccc2ccccc12 232482363 JHEKXOAHFKYAPQ-QGZVFWFLSA-N 501.987 6.691 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)cc(Br)c2)c(C)cc1Br 235856710 NOIIJQZYJJNCBS-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1cc(Br)ccc1I 236029884 JQAZZJAULAQKKX-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 252627613 RXXHEZCITZQHFI-UHFFFAOYSA-N 518.683 7.591 50 10 KKGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)Oc2ccc(C)cc2)cc1)c1ccc(C(=O)Oc2ccc(C)cc2)cc1 253570565 NTRDIQLTBZXAAX-UHFFFAOYSA-N 610.899 7.843 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=C(C)c3cccc(NC(=O)CCCOc4ccc(Cl)cc4C)c3)c3ccccc3n2)cc1 254513296 KOYDWCOQCXRNPD-UHFFFAOYSA-N 621.137 7.824 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3sccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254517734 NOXASWOOZIFIJQ-UHFFFAOYSA-N 519.696 5.853 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254851657 MVZDHTLAWGFTBD-UHFFFAOYSA-N 500.554 6.255 50 10 KKGE CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024929 KCNRWKPWPLPNNJ-QSCFNRSHSA-N 686.698 11.661 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCCc1ccccc1 256028260 BKMDLRKCHNNMAD-UHFFFAOYSA-N 518.664 5.468 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2Br)[C@@H](CI)C1 382698436 ZAOSNEUWWMKKTK-GWCFXTLKSA-N 545.053 5.597 50 10 KKGE CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@H](c2ccccc2)OC(=O)[C@H]1CC[C@H](O)CBr 504677311 KSKVPVAXSYPJEF-LRSLUSHPSA-N 504.421 5.168 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C(C)=O)=C[C@H](Br)[C@@H]4[C@@H]3C[C@@H](Br)[C@]2(Br)C1 605696682 IFHSHNSZFYAKID-MTWOYICASA-N 595.210 6.350 50 10 KKGE C[C@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCBr 697201366 RNEDWQPRPRFPSQ-IINYFYTJSA-N 515.027 5.079 50 10 KKGE CCn1cc([C@H](Br)c2cc(Br)ccc2Br)nc1Br 698352808 CQWKMGYQLYJMNJ-LLVKDONJSA-N 501.842 5.675 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 725408847 UHCDRCBBCZLXBO-JGUAPONESA-N 641.186 12.671 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 936069077 UHCDRCBBCZLXBO-QAZUCEACSA-N 641.186 12.671 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1Br 1083960273 YYMKILLJLKMFLH-UHFFFAOYSA-N 567.075 6.317 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1 1083997359 LUJRXNOIKALYRQ-UHFFFAOYSA-N 585.730 5.011 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 1084035660 MGGCHUCUJCJUBR-UHFFFAOYSA-N 506.610 5.187 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084252500 YELMWSGHKJGLSY-UHFFFAOYSA-N 521.404 6.282 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 1084274724 MAMXJGHNPCEBQG-RUZDIDTESA-N 525.443 5.699 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccccc1 1084281799 ILVKKKKGXXHAFZ-UHFFFAOYSA-N 558.226 6.309 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc2ccccc12 1084296799 KTAFPLOOGSCJMY-UHFFFAOYSA-N 529.474 7.476 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1 1084403656 MGKVBHWKYAITSX-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084433422 GPBUSKWOQPXCRW-HYARGMPZSA-N 719.317 5.429 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(F)c(C(F)(F)F)c2)C1 1614628709 YTNCSSMHNVMVAD-CVEARBPZSA-N 507.265 5.632 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1F 1772755040 IXEHRHMWHRXHLK-UHFFFAOYSA-N 521.639 6.169 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(OCc2c(Cl)ccc(Cl)c2Cl)cc1 1772760494 SDAGRHMCRXOFQN-UHFFFAOYSA-N 519.841 6.345 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665451 JWEOPRVXJUYGSP-AUZYXSGWSA-N 549.678 9.359 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1ccc(F)cc1 1865688656 YBENYKZGZYNALQ-HHHXNRCGSA-N 502.549 6.117 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689853 XQOFNYODBQCSDE-XMMPIXPASA-N 510.997 5.692 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865693109 HOMOCSFSQRAPSF-XMMPIXPASA-N 517.416 6.522 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCc1ccccc1 1865693997 NVUUXCKDTBEHCC-MHZLTWQESA-N 522.605 5.774 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)c1O 1865697265 YTJMDIRBUAANNL-LJQANCHMSA-N 557.326 5.739 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700782 DFFTVCNHIDEOPO-AREMUKBSSA-N 565.888 7.582 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701225 PJDLXJOCQFRWQO-SANMLTNESA-N 547.442 6.547 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1cc(Br)ccc1F 1865702016 KSNUNJQGDNSBPV-JOCHJYFZSA-N 519.349 5.857 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706411 WDEMWGFRHVXQGO-QHCPKHFHSA-N 529.940 5.336 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706494 XXONDHOXXIZEED-HHHXNRCGSA-N 506.606 5.608 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712156 QXCSRCTVMRUSEW-HKBQPEDESA-N 570.649 6.472 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3cccc(Br)c3)c2C(=O)OCC)cc1 1866131644 GNWXWKVZGIDBQK-CPNJWEJPSA-N 539.451 6.689 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](c2cccc(Br)c2)c2nccs2)cc1 1867036630 NNIGLXLWFAARFL-JWQCQUIFSA-N 591.556 6.367 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)nc(Cc3ccccc3)n2)cc1 1868207386 LXWWCPSBQZXVFK-SANMLTNESA-N 536.636 5.469 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Br)cc4)C3)nc(Cc3ccccc3)n2)cc1 1868207893 RPDFBPWODLFESE-VWLOTQADSA-N 558.505 6.725 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)n2)cc1 1868544728 JINQIJCXHPZZPL-SSEXGKCCSA-N 561.799 9.397 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)nc2c1 1872728634 MFGVIRGLJKXOON-YBFXNURJSA-N 501.926 5.427 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915131149 TXUWDCBOCAJSRM-ZDUSSCGKSA-N 551.060 5.870 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)C(C)(C)CCl)cc1Br 1915756148 GXTMAKYJDPNWHS-UHFFFAOYSA-N 509.691 5.728 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCCC[C@H]2OCC3)c1Br 1924615638 DRLKVEDMTATMJQ-LIEFSGRHSA-N 537.937 6.821 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1sccc1I 1925569236 RIAKXYGAWQOYBG-RXMQYKEDSA-N 532.875 6.968 50 10 KKGE Clc1nc(Cl)n(-c2ccc(Br)c(I)c2)c1CBr 2006646751 CMRRBNNQLKETOL-UHFFFAOYSA-N 510.782 5.441 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2016553507 UUVHYWLHXNBSBS-QTMLJZJBSA-N 505.895 6.374 50 10 KKGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCC1 2047875722 UHOAFALNLDURFT-ZETCQYMHSA-N 501.487 5.330 50 10 KKGE COC(=O)c1ccc([C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCN2C(=O)OCc2ccccc2)cc1 2081071991 WNAMOBFMCLSFSN-FJQKOURKSA-N 607.823 6.892 50 10 KKGE CCC(C)(CC)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495466 QJESFUDEMAIAFD-LBPRGKRZSA-N 526.332 7.843 50 10 KKGE C[C@@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2085496916 YOYLOQCRJXZICG-XIGBOZDYSA-N 570.739 6.740 50 10 KKGE CCC[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499505 TZAIVBKJPWFVNL-PTZCXBDSSA-N 568.767 7.609 50 10 KKGE COCc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 2134736470 NWFRVTVIJCOMGE-JTQLQIEISA-N 533.905 6.666 50 10 KKGE FC(F)(F)CCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141470078 DRPMMJHJTOOWBG-SSDOTTSWSA-N 552.248 7.749 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C23CCC(CC2)C3)c1Br 2141470968 MMTNUYKESVOVAP-MBWFCSIISA-N 580.778 7.753 50 10 KKGE C[C@@H]1COCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471348 QIVRYBWHVJJHMI-PTZCXBDSSA-N 584.766 6.845 50 10 KKGE CC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCOCC1 2141471618 UHPZQUXGEKSJHA-LBPRGKRZSA-N 540.315 6.833 50 10 KKGE CC[C@@H]1OCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477507 RCOQNQISBQWJTN-XIDCRBKBSA-N 540.315 6.832 50 10 KKGE Brc1cccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1Br 2148749663 DKEBGEMOJGVLAX-ZDUSSCGKSA-N 525.860 6.393 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC[C@H]1[C@H]1CCN(Cc2ccccc2)C1 2154363662 QTIWWRBBXLXIRO-ICSRJNTNSA-N 512.717 6.488 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 2154373881 QXOLKGQDLGPMAF-REPLKXPHSA-N 512.717 6.629 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@@H](Br)c2cc(Br)sc2Br)c1 2172412055 JMWPGPCEFOTJJB-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(F)c2I)c(F)c1Cl 2201610037 CWAOQGPJWXVMAU-SNVBAGLBSA-N 540.342 6.609 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Br)c1 2218598164 QTZINIRVPCVODO-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1Br 2218967505 DWGKVPCPDHBVLE-GFCCVEGCSA-N 521.869 6.967 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2229318552 WPBSGHWYYYOEKN-LLVKDONJSA-N 661.671 8.353 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@@H]1CCN(Cc2ccccc2)C1 2234058461 GFZVWYJZXICOGC-GDBMZVCRSA-N 511.689 6.383 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@H]1C[C@H](Br)C1 2268362142 ZUIHTBAKASLGBU-QAQDUYKDSA-N 552.421 6.307 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 2293202149 JQHDWQKAOLKEFY-UHFFFAOYSA-N 524.086 7.209 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2296645036 LLDKIOQMNTXTGX-UHFFFAOYSA-N 575.496 7.021 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 2296790068 LWTVXCMAEZNSQR-UHFFFAOYSA-N 555.870 8.105 50 10 KKGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)c2ccccc2Br)cc1 2313682444 CMQPOJFFPZUYNU-UHFFFAOYSA-N 562.449 5.027 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(C(C)C)cc1 2314591813 FLWGGZDHQHXHFB-AREMUKBSSA-N 549.618 7.202 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592605 YLQLICXAVWZFDI-RUZDIDTESA-N 502.039 6.330 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(C)=C(C#N)C1=O 2314610819 MRIJJVPZVVRLEN-UHFFFAOYSA-N 597.741 5.496 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314618186 ISQWOMDIUQUAPW-UHFFFAOYSA-N 566.702 6.290 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640626 DXZUWIBOVTUCMS-HKBQPEDESA-N 569.444 7.409 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1Br 2331046938 FZJLHSXSFLCZBX-UHFFFAOYSA-N 552.469 7.078 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)nc2c1 2331046947 IFKYUBSDZZECDS-UHFFFAOYSA-N 585.241 6.834 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232825 ZPZNLTKVXPTQKU-UHFFFAOYSA-N 508.515 5.474 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331333890 LKHIWVLIOFHAPE-UHFFFAOYSA-N 507.527 5.285 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)c2c(Cl)ccc(Cl)c2Cl)n1 2331364220 SYBFBRMUFXDAIB-UHFFFAOYSA-N 506.625 8.036 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)ccc1I 2360427164 RSUPAACLRUOXKF-LLVKDONJSA-N 617.703 7.746 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365597897 LHXMDKFWFVQNGH-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Fc1cccc([C@H](CI)OCc2cc(I)ccc2Br)c1 2367603055 XLCBDMPVSVRYHU-HNNXBMFYSA-N 560.970 5.886 50 10 KKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2377593134 DWWQAVSERZXGND-BPLDGKMQSA-N 518.027 5.291 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 2671153 LHOOHIUIEKUBCF-QGOAFFKASA-N 581.875 7.813 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1Br 2675402 UEIJDLGDPNWCMR-KKMKTNMSSA-N 552.208 5.513 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc2c1CCCC2 6167416 CTHHVFQJRLEZMR-OISBRLEKSA-N 593.702 5.381 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13564156 ZUOXTRHTZZJBSL-ZUGOUDHMSA-N 512.393 6.197 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 58837653 OUMBDXVSINBUAB-HZHRSRAPSA-N 512.993 7.025 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc(OCc2ccccc2)cc1 100174995 MUCPBMWRTOGUGY-UHFFFAOYSA-N 531.406 5.535 50 10 KKGE CCS(=O)(=O)Nc1nc(-c2ccc(F)cc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C(C)C)n1 100229100 PLGGNLDYVGVASM-UHFFFAOYSA-N 598.704 6.662 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 100231872 VBRYWELXHJDDDE-XZJBEKIMSA-N 529.406 5.530 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1Cl 100232885 MQMXKFPQPUJNQI-MTJSOVHGSA-N 525.830 6.304 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100287055 OJYOSTISNPGBDJ-UHFFFAOYSA-N 556.295 5.238 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 100300491 DZVVVRYJOXPYOL-XLNRJJMWSA-N 528.992 6.175 50 10 KKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)nc2ccccc21 101012150 GZLLYIWXYHQPQJ-BWAHOGKJSA-N 542.042 7.723 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242469 OJBYYMOPHMOYFK-YDYXIROLSA-N 507.999 5.074 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 101333538 WNHFLIWIBMEXRC-VUTHCHCSSA-N 550.703 7.055 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1Cl 101334326 LDGHFHGHDAUVRH-KXWHUPIZSA-N 543.067 6.762 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101336038 YTZCTIKXNPRAID-ADIMLFFHSA-N 536.632 5.190 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 101363899 SQIWQNXDISMCGD-WGDIFIGCSA-N 533.422 6.164 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101367919 JNNGBFYODDPRGI-SSEXGKCCSA-N 540.660 6.999 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 101369082 MRDZYXVRORIAAU-SOKVYYICSA-N 563.448 6.172 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101375266 GPACIUKNLQHRLK-JGCGQSQUSA-N 568.714 7.779 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101375464 CMMXTCNHPNTDKJ-UKPGIYTDSA-N 574.649 6.775 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1C 101380459 ZNKDSVSPAARFKT-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388454 VGSBFRPODKXWLI-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)c(C)c2c1 101393804 HLKMABVVHPZUOI-SSEXGKCCSA-N 528.564 7.279 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)c(C)c2cc1C 101398383 VLBHRRMDCQHTNQ-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399887 PDIHGOVVXZMRPV-MGBGTMOVSA-N 618.661 7.912 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3c(Cl)cccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C 102078017 YBDHVQYZKQAYQQ-VJFFKGOWSA-N 556.902 7.329 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)ccc1OCc1ccccc1 103649390 FTQKDMRJCOWUNN-FMCGGJTJSA-N 530.049 6.829 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103789629 JPZZYRQEUKVYPM-CPNJWEJPSA-N 608.405 5.322 50 10 KKGE Cc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc(-n5c(C)ccc5-c5ccccc5)cc4)o3)[nH]c2c1 103797055 WOMWLZGBMPKIDP-BIZUNTBRSA-N 531.641 7.146 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1F 103876669 RJVWKDUVSYASOC-FDALDRLYSA-N 626.526 8.096 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103878097 DFZNIADALBRPOD-LGJNPRDNSA-N 524.327 5.455 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 103878298 SQBWFYKMKIZBID-FNTLCPBMSA-N 614.543 8.711 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1 104289406 JPGUODKVCBINRX-MUFRIFMGSA-N 534.557 6.194 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@@H](O)/C1=C\Nc1cccc(N/C=C2\C(C)=C(C#N)c3nc4ccccc4n3[C@@H]2O)c1 104522278 QKPXRAGTEDXSSD-AYRCXEFWSA-N 578.636 5.981 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2ccc3ccccc3c2Br)c(C(C)C)cc1Br 104803627 JMUDQKAZWDLWOK-UHFFFAOYSA-N 623.367 5.276 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150477547 OQCCGFAAWYLMQM-HXUWFJFHSA-N 628.723 7.945 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150484630 PBLIDTMCMCIOIR-XIFFEERXSA-N 645.539 8.197 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(=S)Oc1ccccc1 195773405 SWCSKDJCJJBGIZ-ZPDCEZAMSA-N 736.963 7.582 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@H](CC)C2 209400089 OSWAONCPLKPCEH-IYWFSZBXSA-N 519.579 6.154 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 214379663 KNHVDWMAQLIJCO-PBWDCTSMSA-N 645.785 6.061 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 214391660 HYJZLRDUMYPFSH-QXPFVDMISA-N 647.757 5.515 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 234898549 TUAKAYFLACGWDY-NSHDSACASA-N 509.872 7.073 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1 252631824 VMTIJPUZPRMTRZ-UHFFFAOYSA-N 664.365 5.829 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 253537570 PRCMMETVWMEYKS-OPGPRXKQSA-N 649.070 6.282 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(C)cc3)cc2)cc1 254760359 ZAZIMXWATFSUNW-UHFFFAOYSA-N 578.625 5.344 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1ccccc1C(F)(F)F 254851240 JCWHVUWJFGEGHX-UHFFFAOYSA-N 584.620 5.822 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Cl 311948220 JBYLJPQIJAKURL-AWEZNQCLSA-N 532.295 7.420 50 10 KKGE Fc1cc(CBr)cc(F)c1Oc1c(I)cc(Cl)cc1I 312466370 QNUYYMDXPXXTEX-UHFFFAOYSA-N 585.351 6.515 50 10 KKGE Cn1ncc([C@@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 404945440 OQJGTOGSGDCZLR-ZETCQYMHSA-N 514.803 6.123 50 10 KKGE CCON=C(c1ccc(F)cc1)C1CCN(C(=O)[C@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725239179 ZPIPFNCVPPVBTK-MHZLTWQESA-N 610.073 6.899 50 10 KKGE CC(=NNC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725395624 GSXOIGPDHWAJDN-JGBIIJINSA-N 561.726 8.240 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 725400066 JOHKARKTMZJDRF-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 725404349 DIVZWWUVNOURCW-QHCPKHFHSA-N 637.312 5.995 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)C(O)(O)[C@H](CCl)C(=O)CCCCCCCCCCCCCCCCC 888085094 SLGDGGKDXPCRKW-FTOZWIMSSA-N 639.446 11.736 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 1083891736 CYBCPDAKTJHQJA-MUUNZHRXSA-N 561.635 5.664 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1083892477 KRBQBTSNBJAAPD-UHFFFAOYSA-N 779.992 7.510 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 1083944116 IGQGEIVJPIVVML-QHCPKHFHSA-N 585.451 5.128 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cccc4cccnc34)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084001261 BJCUIYHADCNHIZ-UHFFFAOYSA-N 578.694 6.101 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2Cl)c(I)c1 1084017489 VFZJAGFYCLJNED-JOCHJYFZSA-N 548.808 5.488 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084128337 ARGYJDQVWMGGIC-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1084446338 NVNSTESSCSKQSC-UHFFFAOYSA-N 560.423 7.085 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 1084492090 PFAKXRWGZDNGIJ-UHFFFAOYSA-N 585.513 6.110 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 1084619873 QXVFEEBSSZJGAM-VWLOTQADSA-N 583.426 5.104 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@@H](NC(=O)c4ccccc4)N(C)C3=O)[C@@H](OC)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1565534955 LCLFYBGFFZSQOB-FQZHYLABSA-N 794.034 7.780 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747102 DKQWRNHETBIKMS-UHFFFAOYSA-N 524.326 6.636 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)c(Br)c1 1772756553 RBFIFBDZBNLACX-UHFFFAOYSA-N 529.862 6.508 50 10 KKGE COc1cc(/C=C/C(O)=C\C(=O)/C=C/c2ccc(OS(=O)(=O)O)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C 1848436849 HLSMJNIJIRGJRN-JZLHBLCUSA-N 562.713 6.007 50 10 KKGE C[C@H](COC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C)O[Si](C)(C)C(C)(C)C 1848439634 VWKDZCZEWDHFGR-LJQANCHMSA-N 530.613 6.134 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OCC 1865686830 BZYVEPFIFBKSDS-MUUNZHRXSA-N 573.068 7.187 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCCc1ccccc1 1865688353 PZEIFURIRFUWIN-VWLOTQADSA-N 546.549 5.798 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865691853 CMVVENFVNIWPOZ-QHCPKHFHSA-N 537.458 5.993 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701515 XFMCGCGQSLLEQN-SANMLTNESA-N 549.433 6.737 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703147 OBOWLYQTMHFCAT-LJAQVGFWSA-N 555.078 6.983 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1 1865704899 HIBPWSDBRSRWPZ-XMMPIXPASA-N 577.424 5.848 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867052752 HKIYUPVHQCNIFT-XMMPIXPASA-N 531.638 5.216 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc(Cc3ccccc3)n2)cc1 1868208265 XYACVXAGLXBUPL-RUZDIDTESA-N 507.667 6.328 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CC2)cc1C 1868415296 XCWKSPHJIBTQBA-UHFFFAOYSA-N 570.118 7.530 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(C)C)c4ccccc43)n2)c1 1868506527 XZYLZVBMSJHMTI-UHFFFAOYSA-N 508.651 6.835 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 1872744708 FFTXKNPEYNOJTP-GEHZHUCRSA-N 515.635 6.175 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1C 1872781038 RXDBQZWAWAPZDA-CIAFOILYSA-N 507.442 8.077 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OC(=O)c1ccccc1 1872795240 VHVDWASYANFLST-CJLVFECKSA-N 518.594 7.264 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)N/N=C/c2cnc3ccccc3n2)cc1 1873497109 JKNCQVASVZAXPB-NWJTYWEUSA-N 523.637 6.047 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915070667 ZZKCUMNPUBNQGJ-GFCCVEGCSA-N 513.139 5.885 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@@H](Br)C2)c1Br 2025784111 SDEGCLGFZQFCHU-ZDEZVYLVSA-N 619.609 7.346 50 10 KKGE COc1sc([C@H](Br)c2c(Br)cccc2Br)cc1Br 2034636564 AZTLIHXQXGMOAP-NSHDSACASA-N 519.878 6.529 50 10 KKGE CC(C)(C)OC(=O)N[C@H](CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O 2049382682 ILAHABFZFGBZNM-AREMUKBSSA-N 527.778 5.882 50 10 KKGE CCc1nc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)s1 2050332460 ZGQHRTNMVZOERY-RXMQYKEDSA-N 603.819 7.301 50 10 KKGE CC(F)(F)CCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141476224 YABHGDMRONBDHJ-ZCFIWIBFSA-N 592.736 7.998 50 10 KKGE CCc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206397848 NJUOHXSRRXAUIF-ZDUSSCGKSA-N 590.773 7.783 50 10 KKGE Fc1cc(Cl)ccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405698 OQHOZPVLCGPEQN-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE CCCCCCCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406139 VWLMLAWYTSXASW-GFCCVEGCSA-N 554.386 8.767 50 10 KKGE CCc1ccc([C@@H](Br)c2ccc(Br)cc2I)cc1CC 2207271675 JVGNIKFKTGKAFS-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1csc(I)c1 2213491105 ARIPUUJKDKUYDZ-LLVKDONJSA-N 554.842 6.501 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1 2232223083 POOSCWRIZFXCBH-CQSZACIVSA-N 562.840 6.748 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccccc2Br)c(C)c1Br 2235610440 FRNOMLQDMLQQLG-CQSZACIVSA-N 525.904 7.270 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1Br 2258112381 KBXTWWGQBHAZMP-JTQLQIEISA-N 542.287 7.312 50 10 KKGE COC[C@]1(C)C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2269282843 YYONRRZFKJLRIU-RMCLDHHASA-N 584.766 6.845 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619892 IMQOSJVZJDWAGY-UHFFFAOYSA-N 568.092 8.170 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295267612 OHLAMHKWUOGHQE-NSHDSACASA-N 594.736 7.554 50 10 KKGE COc1c(C)cc(C)cc1[C@@H](Br)c1cc(Br)ccc1I 2295357404 MAVIEKNFBPTKTA-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)=Cc1ccccc1 2297304511 UPINIDRWADGPKA-UHFFFAOYSA-N 532.467 5.994 50 10 KKGE CCOc1ccc(NC(SCc2ccc(Cl)cc2)=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 2297414594 SIZDKZCBZAMBRX-UHFFFAOYSA-N 522.026 5.864 50 10 KKGE N#CC(=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2297534125 JDAVNFYFLANBCU-UHFFFAOYSA-N 541.356 8.290 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(I)c1 2301795424 UXLJZLPFZJHIRB-JTQLQIEISA-N 571.297 7.015 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 2313676724 XSVQVZLZUCYKPS-UHFFFAOYSA-N 522.355 5.881 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 2313683522 ZTQNQFYGTXLYSO-UHFFFAOYSA-N 557.198 6.244 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2314503275 QSBRQUHNOYEBDS-FQEVSTJZSA-N 531.590 7.100 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591944 IEPUGSICZXTMNH-SANMLTNESA-N 516.066 6.837 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593605 PWQMRHXURQBUGJ-QYBDOPJKSA-N 550.511 6.859 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593897 VQMCVZKCZDFAIJ-VWLOTQADSA-N 502.039 5.645 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314616623 FXVFFWAUBFFGGH-OAQYLSRUSA-N 584.632 5.692 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 2314618534 PEYYESBKLAOPNZ-UHFFFAOYSA-N 560.654 6.658 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)C(C)=C(C#N)C2=O)cc1 2314620408 PJNYKWFONYAVPU-UHFFFAOYSA-N 623.507 6.154 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634878 YSGUHVGKKFJPDV-SANMLTNESA-N 507.373 6.229 50 10 KKGE Cl[C@H](c1cnsc1Br)c1c(Br)c(Br)cc(Br)c1Br 2315642036 HLFUGLPIGZRITF-SECBINFHSA-N 604.181 7.284 50 10 KKGE Cc1scc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2320496178 VDXWLUVLXJCEGM-LBPRGKRZSA-N 517.906 7.023 50 10 KKGE CCC(=CC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321371250 URZXYOZYUCWFLO-NRFANRHFSA-N 548.528 5.701 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1nc(O)c2ccccc2n1 2331030141 ZGLDZYZMMIXCNW-UHFFFAOYSA-N 527.205 7.048 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc(Br)c1O 2331467613 KUBPIHCHLOZXJT-UHFFFAOYSA-N 512.212 6.666 50 10 KKGE Clc1ccc(COc2ccc(Br)c(CBr)c2)c(I)c1 2341048209 ILWFSYBKOCUIGZ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE ClCc1cc(Br)ccc1OCc1ccc(I)c(Br)c1 2349803569 LVKTZMOYUADQJO-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE COc1cccc(CBr)c1OCc1ccc(I)c(Br)c1 2377293033 WWRBONUSJQWNMO-UHFFFAOYSA-N 511.979 5.536 50 10 KKGE CC1(C)CC2(C1)CC(CBr)(Cc1ccc(I)c(Br)c1)C2 2377332348 OHOLBFTWHSKTAA-UHFFFAOYSA-N 512.067 6.578 50 10 KKGE FC(F)(F)[C@@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2377345171 UZFYXVLGLYVYFO-NXEZZACHSA-N 526.960 5.059 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 3234420 OIZIOURSPDVCBA-UHFFFAOYSA-N 518.664 5.339 50 10 KKGE N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1ccc(Br)cc1 19805036 JHNMEQVTHLWGNP-ZWEKWIFMSA-O 515.456 5.328 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2[nH]1 33385771 HNEJXFWJFWQKGF-HKOYGPOVSA-N 511.560 7.198 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)c(C)c1 35189656 MMKKEETWXRKJGE-NMWGTECJSA-N 506.606 6.581 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OCC 38683869 IRTBZIWQWVAKKJ-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OCC 38683942 IEDDKPNIQIRSTD-SSEXGKCCSA-N 528.605 5.639 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 59272165 DVWIQVPZDAVFOK-UYRXBGFRSA-N 511.803 6.626 50 10 KKGE O=C(OC[C@H]1O[C@@H](Cl)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 72131057 XVLSIQHWHHLLPV-BXXSPATCSA-N 584.235 6.219 50 10 KKGE in-vitro CC(C)(C)c1ccc(C(=O)NNC(=S)NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100087841 QNZWPBSUCIZMAU-UHFFFAOYSA-N 593.341 5.377 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc([C@@H](C)CC)cc1 100186807 WKKXNHHLAKHCBM-SFHVURJKSA-N 564.546 5.636 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(C(=O)O)cc3)cc2Br)cc1 100238172 FVOUSLQVLBPIQY-LCVHJTKWSA-N 585.451 5.098 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 100238495 KIYNFFLUTFJYBZ-BHEPHHETSA-N 585.528 7.062 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 100452454 HROIVUGCHUOJFM-MGCJZSHXSA-N 580.704 6.408 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)C1=O 101333330 UJBLCTIZOSZWQN-LFVJCYFKSA-N 529.040 6.374 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C1=O 101333461 MQWIZNGILSPLFO-LFVJCYFKSA-N 529.040 6.374 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCCC(C)C 101375153 RBFITMRUKDPPQA-XIFFEERXSA-N 570.686 6.836 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 101375588 XSUVYGKCYUHVTK-NHRFMIRVSA-N 584.713 7.198 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385230 BCOPOASHMRHSSK-AIKJVNBHSA-N 579.052 7.073 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387940 VOKDWCUAVOEMIH-PSXMRANNSA-N 604.703 7.299 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccccc1 101392946 BJQCKHCPMXRLCN-YTTGMZPUSA-N 607.062 7.728 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OCC 101395259 GXDYIFXSWUMKHF-MUUNZHRXSA-N 559.018 7.020 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Br)cc1 101906056 ULXPZWVQSIHHNR-JAIQZWGSSA-N 570.281 6.962 50 10 KKGE O=S(=O)(/N=C1\c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1 102629301 TZAHICNSZWGOQL-RMHXXXDPSA-N 576.310 5.578 50 10 KKGE COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 102630914 CVAOJRARWABWFN-QGOAFFKASA-N 506.008 6.628 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2/C(=O)N(Cc3ccc(F)cc3)c3ccc(Br)cc32)cc1 103736511 KYCKHTMXZIBECB-HBPAPZQJSA-N 536.445 5.958 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccccc4)cc3[N+](=O)[O-])sc2c1 103806178 RKWHWKGTRLTZIC-OCSSWDANSA-N 567.652 6.680 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(C)cc1 103877926 ONFXUDUCLVGFQO-IPPBACCNSA-N 586.280 7.008 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 103887289 UOWSYPSIGCDLKR-ZDLGFXPLSA-N 605.124 7.407 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1ccc(I)cc1)OCCCO2 109865026 HSGDQHNVSHKILZ-MRXNPFEDSA-N 523.990 5.699 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Br)cc1 150428979 WZCKRYRCSMQTCM-HOFFDHMBSA-N 630.377 6.882 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150430209 HPWMVPMCLMGFPF-YTTGMZPUSA-N 628.037 6.428 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214218145 KXGJXZPALHIQMD-IMRQLAEWSA-N 522.649 6.275 50 10 KKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)sc2c1 217250407 RGXVRVAAYWLEDR-SSZFMOIBSA-N 512.944 7.402 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1 233818531 OCFCFGZYIATKEI-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)cc1Cl 234902481 MHGHLYCUGRTLEJ-CQSZACIVSA-N 506.392 6.697 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 253579422 ZPRGLMALTKBSGJ-NJZRLIGZSA-N 528.657 6.325 50 10 KKGE CC[C@H](Nc1ccc(Br)cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1 254522561 OCVMLZZIOKMTLS-HNNXBMFYSA-N 534.046 5.021 50 10 KKGE O=C(COc1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254557832 DKUASETZNAJDCY-UHFFFAOYSA-N 502.574 5.647 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)sc2c1CC[C@@H](C)C2 254815815 FDHJERAJKWSEBH-HXUWFJFHSA-N 627.719 5.910 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccccc3NC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 256019995 QRHNIFAKTODRHC-XGFFMVSESA-N 622.398 5.881 50 10 KKGE CCCCC[C@H](/C=C/[C@H]1[C@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)C(=O)C[C@H]1O[C@@H]1CCCCO1)O[C@@H]1CCCCO1 504711685 GGIODFRWUKSMTA-PSFRZMQXSA-N 614.940 8.778 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@@H](Br)c1cc(Br)c(Br)s1 712617931 FSCZFINMTCSNEW-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 888085535 MUAZUFIWQGAINF-BNEUZILFSA-N 637.081 11.139 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](Sc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1082544994 JOPRVYCBFQVGOL-JQWMYKLHSA-N 591.850 8.375 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)cc1 1083968540 PCPMENIVCNIILS-UHFFFAOYSA-N 619.743 6.742 50 10 KKGE N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 1084003376 XONKHBNPCGNUNI-OQKWZONESA-N 515.444 6.252 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084162173 OELLZXSIYQHQGR-UHFFFAOYSA-N 602.312 7.972 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccc(F)cc1 1084204205 AQDBEKCNDDHCIL-UHFFFAOYSA-N 518.326 5.172 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccc(Cl)cc3)c2C)cc1 1084235632 KWMMGVAFLLVYNI-UHFFFAOYSA-N 504.881 6.451 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 1084276377 HORMKRAHDMNWIL-AREMUKBSSA-N 690.319 6.592 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCc1cccc2ccccc12 1084337964 DGJMLQFYJMCNRB-UHFFFAOYSA-N 557.366 6.973 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 1084378476 JHPCFGCTYMKEHG-XMMPIXPASA-N 575.887 6.053 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 1084423755 FGAHMASTWYEDNG-UHFFFAOYSA-N 623.367 9.409 50 10 KKGE O=C(NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084425657 FXVYCTUFVFRGPX-UHFFFAOYSA-N 610.736 5.237 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084440952 XAQYZTCKFIACHM-DJKKODMXSA-N 560.275 7.506 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742952 VWNKCIRAEPEIQL-PPBORXCNSA-N 532.065 6.042 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748658 ZYZKKEWIBFGUQN-NSHDSACASA-N 551.434 5.698 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC(=O)N(CC)CC 1772755134 PCNVCSKDYKTYRT-UHFFFAOYSA-N 605.580 5.461 50 10 KKGE CO[C@@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)/C(C)=C/C=O 1848432825 SQLZDXFTEMMIKN-IVTBGNCLSA-N 946.185 5.009 50 10 KKGE CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@H](O[C@H]1CC[C@@H](N(C)C)[C@H](C)O1)[C@H](C)C2 1848433219 ZFKWIQIRGQWRDP-FRSJFHHSSA-N 957.329 5.512 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 1865681990 CPOSRADSKLFGPA-RUZDIDTESA-N 509.396 7.217 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl 1865685920 OHSXTESWGOANGE-OAHLLOKOSA-N 517.697 6.268 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc(Br)c1O 1865688458 SHTAPIMAKYOAEB-FQEVSTJZSA-N 550.240 5.632 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1865689760 VVMQHFVCRFZUHG-MUUNZHRXSA-N 527.024 6.338 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3C)cc1OC 1865691490 UCWBNACIPLXVLU-FQEVSTJZSA-N 503.441 5.321 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691564 VNOYUFHSYZMOJQ-AREMUKBSSA-N 555.506 6.986 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865691720 ZKZPPQVZWLYQTL-JGCGQSQUSA-N 570.693 7.878 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc2c(c1)OCCO2 1865698578 XXVMOHHYPOPCBJ-HSZRJFAPSA-N 527.378 5.291 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccc(Cl)cc1 1865700947 ICOGAGVROGJYIC-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865702835 GIUMTWQITDNMRB-SFHVURJKSA-N 519.321 5.661 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703138 NUGPMFBBEWJCGR-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703156 OGZZYHNRHUDBCM-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703443 VTRDKJGDAXATFR-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE CC(C)[C@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866758691 YNBUKQMWDYFINR-SVBPBHIXSA-N 552.165 7.100 50 10 KKGE CCCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866781753 QNAVHTQWUFBUMV-IZZNHLLZSA-N 507.606 6.374 50 10 KKGE CSCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200194 YNEUMKPWEXZEFA-QFIPXVFZSA-N 577.135 5.990 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(=O)c3cc(C(C)(C)C)ccc32)n1 1868300891 JRLBPVXUGXQILI-UHFFFAOYSA-N 519.674 7.791 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1868301080 KEBWAZOWLYBUME-RUZDIDTESA-N 558.505 7.109 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCCc4ccc(N5CCCC5)cc43)nc(-c3ccccc3Cl)n2)cc1 1868413897 FJLKFFNNZGLMTO-UHFFFAOYSA-N 539.108 7.798 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 1872751035 QVOLXDMACSIVMI-FSXJBPCSSA-N 517.876 7.784 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872755048 WAIJDAUYLRRKBU-BJUXRVGASA-N 503.580 5.068 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 1872758478 BXBOOGNLEWJVTE-MQPOEVEDSA-N 512.462 7.087 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)cc1OC 1872791501 LCQCCHNMMKNGGZ-CIAFOILYSA-N 511.485 7.948 50 10 KKGE ClCC[C@@H](COCc1ccccc1)NCc1ccc(I)c(Br)c1 1904336810 BEAYPBSCACNUQJ-INIZCTEOSA-N 508.625 5.358 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Br 1915296112 QPGPNADASFMXAV-QGZVFWFLSA-N 509.691 5.713 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3ccccc3s2)c1Br 1924599445 HRFOKRUBBQVUKW-JTQLQIEISA-N 545.941 7.735 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCOC[C@@H]2C3)c1Br 2018506808 FQDHHHXQWBVTIB-UPIMIWRCSA-N 509.883 5.898 50 10 KKGE C[C@H]1C(CSc2ccncc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12 2037698008 WAHFXJJTKGUJFB-NUQURWJTSA-N 583.783 5.966 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(C)c2Br)cc1Br 2039336788 YTBGFWLDTHERAX-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE COc1cc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(-c2c(P(c3ccc(C)cc3C)c3ccc(C)cc3C)cc(OC)nc2OC)c(OC)n1 2059556436 CSHYDZMYYWKXIL-UHFFFAOYSA-N 756.864 8.162 50 10 KKGE CCCC[C@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496802 STKQNMUYANAGLY-CPFSXVBKSA-N 526.332 7.843 50 10 KKGE CC1CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085497482 GMHPBQKFTLOERV-RRQHEKLDSA-N 568.767 7.609 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206393907 CJGBGRGYZLBGGD-LLVKDONJSA-N 767.511 8.588 50 10 KKGE CO[C@@H]1CCC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206400064 OZSHVPZDXAZLHQ-RWYTXXIDSA-N 598.793 7.378 50 10 KKGE FC(F)(F)[C@@H]1CC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2217676820 SPIRMUGDBJSBDM-MRKVFDINSA-N 535.843 7.060 50 10 KKGE CC1(C)C[C@]1(Cl)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2222047674 LISYYWOMJDFBFB-PWSUYJOCSA-N 589.185 7.580 50 10 KKGE Cc1cccc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1I 2229149697 HVTDQEGNCFWMND-ZDUSSCGKSA-N 514.426 6.694 50 10 KKGE COC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC(C)C1 2247501157 XEFZQVRUKPNGID-QHCBANEHSA-N 511.899 6.287 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Br)cc1I 2269547924 QOKRPDBETUAPHH-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1csc(I)c1 2269626673 ZRRWYWCRMSIVDD-AWEZNQCLSA-N 516.036 6.225 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277958924 MLIMPKYELUOVPX-ZDUSSCGKSA-N 532.295 7.306 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1F 2279149242 NHDYGWWGLXOUBX-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2283584806 SAFOJRMJMQEIBB-CQSZACIVSA-N 506.392 6.744 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2294146932 FBWZWBYJNXCYSD-UHFFFAOYSA-N 527.205 6.752 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 2297296969 BETBGUXZXUXUBU-UHFFFAOYSA-N 565.258 7.039 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1C=C1CCCC2=C1OC(N)=C(C#N)[C@@H]2c1c(C)nn(-c2ccccc2)c1C 2297317303 XSDNJIUICARRNJ-WJOKGBTCSA-N 528.660 6.621 50 10 KKGE N#CC(=Cc1sc(N2CCCCC2)nc1-c1cccs1)C(=O)Nc1ccc(N2CCOCC2)cc1 2297488401 FLUOCTLCAQZZKG-UHFFFAOYSA-N 505.669 5.244 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1sc(Cl)cc1I 2301118499 AYHUXDUMCSHKLM-RXMQYKEDSA-N 575.289 5.749 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1C 2313511275 XMDVESPSLUGQGA-UHFFFAOYSA-N 634.255 6.637 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2313567918 PPDYQAMJULYALP-UHFFFAOYSA-N 552.631 5.557 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313568835 ZCDHLFBPFYDHCQ-UHFFFAOYSA-N 590.474 5.381 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccccc4)c(NC(=O)c4cccs4)s3)o2)cc1 2314433876 VZFRMFPFROFSEC-UHFFFAOYSA-N 551.649 7.625 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314450456 ZNBYWWNUJHHESG-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=Cc3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)n2)cc1 2314482901 YXAWPVYPQKRUFB-XIFFEERXSA-N 522.677 8.538 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314593176 IQXOYWGRYYEBAS-VWLOTQADSA-N 502.039 6.528 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1Cl 2314617539 BMMSTALLMGPKOM-UHFFFAOYSA-N 500.986 5.594 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314618804 UQOKBZFJTXXVAM-UHFFFAOYSA-N 604.682 6.665 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314618881 VZQIFXTUKIZWIO-GDLZYMKVSA-N 564.686 6.270 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)c1 2314619970 IEPQFLRIKUOXEY-UHFFFAOYSA-N 552.631 5.264 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644595 BYACKOIRJGIHFK-XIFFEERXSA-N 647.942 8.461 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644612 SMQVQIYZVIWZKB-MGBGTMOVSA-N 613.497 7.808 50 10 KKGE C[C@@H]1CCc2c(sc3nc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)n(-c4ccccc4)c(=O)c23)C1 2320729580 XJUSWZJEBNTVDZ-MRXNPFEDSA-N 542.711 6.186 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)c2ccccc2)cc1 2331239848 IMPGNCOOOAMAFD-UHFFFAOYSA-N 504.655 8.121 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336052865 DXHVEFMNFWYVNL-IBGZPJMESA-N 543.068 7.608 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336076349 XWDUFTJXLKFBTP-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE FC(F)(CI)C(F)(F)CNCc1cc(Br)ccc1Br 2336541476 NESOZTCCTJHGRT-UHFFFAOYSA-N 518.912 5.007 50 10 KKGE CCCc1sc(Br)cc1[C@H](Cl)c1ccc(Br)cc1I 2338016007 VXXCBQZFUPYOKB-CQSZACIVSA-N 534.482 7.158 50 10 KKGE FC1(F)[C@H]2CC(CBr)(Cc3ccc(I)c(Br)c3)C[C@@H]21 2349863940 CZHKVYFBOSLODB-UWVGGRQHSA-N 505.966 5.653 50 10 KKGE BrCC(CBr)(Cc1ccc(I)c(Br)c1)c1ccccc1 2377292961 WOPXLYQOWKXTMD-UHFFFAOYSA-N 572.904 6.324 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 935227 HUZSWTMLNSBSTB-NJEMLTPYSA-N 502.039 5.434 50 10 KKGE N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)/C(C#N)=C/c3ccccc3)cc2)cc1 3287516 KLGODQMLEBFPKB-QFYPEMSYSA-N 508.581 6.369 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 34387006 UYVBADUFXWFGEJ-JWGURIENSA-N 524.646 6.103 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 35518823 XSIUFJZPNAQFQR-XMHGGMMESA-N 510.022 6.550 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1OC 38658929 FNHVUENVWKIWOW-HHHXNRCGSA-N 514.578 5.204 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCCC)cc1 38682880 ZNIVFVVALWDTEO-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OCC 38684318 YWHAOFGBOUEKQL-AREMUKBSSA-N 504.608 6.153 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(F)cc5)ccc43)c2)cc1 38686638 AEWVQUFZMUFGAD-GDLZYMKVSA-N 506.533 6.151 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)o2)cc1Cl 38688682 CKTQOXIOHSPQEU-QHCPKHFHSA-N 513.377 6.511 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823083 FKLZDNIFLHQJHC-WPWMEQJKSA-N 501.768 5.122 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 58894881 PNGCDMXWVKVNDP-APTYXWLQSA-N 529.008 5.819 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@@H](C)CC)cc1Br 100173181 GABQCFLYDVLHHS-SFHVURJKSA-N 564.546 5.636 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100189709 BDATWKNBYBXYFU-UHFFFAOYSA-N 564.274 5.630 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 100452660 FJQLMTXJPXKSMX-CNIQOEEMSA-N 551.868 6.799 50 10 KKGE CCCCCCCCCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 100502306 KCYGVYYYWFXTEK-UHFFFAOYSA-N 586.689 8.971 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Oc1cccc3ccccc13)[C@@H]2Br 100935237 ZXHMWBOXEJWMOW-XPGWFJOJSA-N 531.082 6.431 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241234 DAVYMFWIQOKMJM-DBJYNHDPSA-N 511.647 5.445 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242414 XOPFJCDKRCXQHV-HFVAWESISA-N 515.635 5.544 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 101339652 FMPOOLQKUDVZKE-AFUMVMLFSA-N 532.531 5.200 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 101362587 BATAIIHKCKWGOB-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 101368932 VNTIRFWBNVEUAB-RUZDIDTESA-N 535.394 5.277 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCC(C)C 101374273 VLAZMLOFYRCSDG-NDEPHWFRSA-N 560.603 5.193 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OC 101375327 PYPGMCHHWPWBBC-JGCGQSQUSA-N 556.659 6.555 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384581 XFJCZMIWKPFRTG-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385577 GAPWPXDFXJQERG-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(C)cc1 101387905 TTXBYWQTRBKBNX-DHUJRADRSA-N 590.676 6.792 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389508 GJYXSLDBEXFULA-XIFFEERXSA-N 594.639 7.028 50 10 KKGE COc1ccc(Cc2nnc(SCC(=O)/C(C#N)=C(/C)N)n2-c2ccc(Oc3ccccc3)cc2)cc1OC 103086139 PFEYHZHOZQKVBE-CLCOLTQESA-N 541.633 5.085 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 103737689 SDVRMFMVNOUNMT-RDKICWGTSA-N 532.021 5.582 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4cc(C)cc(C)c4)c3C)sc3c2CCCC3)cc1 103794312 FZEDGZCNMRVAAD-NLRVBDNBSA-N 562.739 7.758 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)cc1 150429379 RARMGALZUFLUJV-ZZJXEYPFSA-N 671.757 6.649 50 10 KKGE CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 164639258 DVIDHMNMUCWQBK-HNSNBQBZSA-N 651.501 6.162 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 195804014 PPFHNIVPOLWPCF-VIYGXFRKSA-N 541.071 6.075 50 10 KKGE CCCCCCCC[Si](OC(F)(F)CF)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F 196521712 OJHUFIIYAMNZSI-UHFFFAOYSA-N 510.363 7.208 50 10 KKGE CCCCCCCCCCC[C@@H](C[C@H](OCc1ccccc1)[C@H](CCCCCC)C(=O)OCc1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C 198121799 MLKVZMZGRUDTON-KJFLPAQCSA-N 709.185 13.774 50 10 KKGE in-vitro CCCCCCCCC[C@H](I)CCCCCCCCO[C@H](CC(=O)O)C[N+](C)(C)C 198499543 DFLICWRDAYKGDE-BJKOFHAPSA-O 540.591 7.228 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 214422495 PFVIYKQQNIRCAE-MIXAMLLLSA-N 590.611 5.413 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215666460 CXEJHJXCKOQGRK-XYFDQZCYSA-N 618.771 5.452 50 10 KKGE biogenic CC(C)Cc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 232619030 RNJUNEBXOYZDAS-KRWDZBQOSA-N 508.035 6.737 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1ccc(F)cc1I 233784626 UIFNKSZAQPYZOL-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE COCCc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1 234694989 GTJBAXASCYLBTG-MRXNPFEDSA-N 510.007 5.727 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)cc(Br)c2)s1 235811864 CUILTOXMFFZSOT-NSHDSACASA-N 503.879 6.828 50 10 KKGE O=S(=O)(NCCCCCCI)c1c(Cl)cc(Br)cc1Cl 236034449 IYAWPOHSFVPANZ-UHFFFAOYSA-N 515.038 5.030 50 10 KKGE Cc1c(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccn2c1C(=O)c1ccc(F)cc1 254699671 ZGRUDKGJNOZORT-UHFFFAOYSA-N 560.632 5.244 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(NC(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)cc3)CC[C@@]1(C)[C@@H]2Br 256019795 FKKFFJHEXDKKMS-JKBQNAPDSA-N 567.362 6.710 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)c3)CC[C@@]1(C)C(=O)[C@H]2Br 256019831 HHBWIEUXWSRZGE-XGFFMVSESA-N 624.366 5.815 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)ccc1OCC(C)C 256027245 VEAGAZNBOZXMBZ-WQPZDMMBSA-N 503.667 5.037 50 10 KKGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc1OC 256028411 KKACKHDHUCOMFG-UHFFFAOYSA-N 521.462 5.007 50 10 KKGE CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCCOC(=O)[C@@H](Br)[C@H](C)Br 256111817 RZTSKWFQWWIWIF-BURNTYAHSA-N 656.176 9.085 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 256631154 ZTAIYJPKYUNPKQ-XKGOPRQVSA-N 773.125 7.141 50 10 KKGE CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 299804150 CSMHROULSVMVLH-OEHUHXHISA-N 547.891 8.143 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccccc1Br)C(=O)OC(C)(C)C 303741126 GWAGRSVPFSOIMK-SFHVURJKSA-N 512.226 5.416 50 10 KKGE FC(F)(F)c1csc([C@H](Cl)c2cc(Br)sc2Br)c1Br 311875293 SXVDOGUJWQUACF-SSDOTTSWSA-N 519.427 7.444 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(Br)ccc2I)c(C)c1Br 724982762 AXNJLNGOMJFKRX-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C 888085232 RSHARCJKDILKNP-LLDAHBPOSA-N 691.243 13.427 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1083941708 HOYKAZLSNDLHOH-UHFFFAOYSA-N 541.583 5.456 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 1083982149 YVMNPMMIYLGUNL-BOPFTXTBSA-N 530.191 6.475 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084180401 QFKGDFQMMBHUKB-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 1084187641 OXBWSZXFGTVZPY-XMMPIXPASA-N 580.306 6.698 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 1084193140 BXSPKLUXBYEVFI-UHFFFAOYSA-N 661.611 7.569 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1C#N 1084229050 LZYAWVAAENUGBU-NDEPHWFRSA-N 576.491 5.991 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1 1084244790 WLXKQLRNKSXHAT-HZHRSRAPSA-N 595.335 6.355 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1084290596 NOKKCQWMGAIUPY-NVNXTCNLSA-N 571.085 8.187 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2cc(C)cc(C)c2)cc1OC 1084421711 BFDMVUFQYNPQJQ-UHFFFAOYSA-N 588.730 5.382 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccc(Cl)cc1Cl 1084426397 IMKQGXXKFKAZMU-YBEGLDIGSA-N 522.215 7.433 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084578502 OGGVBNKYELSTDY-UHFFFAOYSA-N 521.404 6.282 50 10 KKGE COc1ccc(NC(=O)N(O)[C@@H]2N(c3ccc(OC)c(Cl)c3)C(=O)N(CC(=O)NN=Cc3ccco3)C2(C)C)cc1Cl 1565517393 GIEFGZAKCOTKDS-DEOSSOPVSA-N 619.462 5.024 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3ccccc3Cl)cc2OC)cc1OC 1772720788 YJHLJMGLSFJICP-UHFFFAOYSA-N 582.053 5.026 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12 1772760603 XTBRZFBJWCYRPF-UHFFFAOYSA-N 562.514 7.033 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690330 OTDXPXRSLWTPAY-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3cccc4ccccc34)cc2)cc1 1865693623 PPDMTYIBODLYHL-MGBGTMOVSA-N 560.657 7.798 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OC 1865697504 UXBRKAXSOVQKSB-MUUNZHRXSA-N 554.622 6.152 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)c2ccccc21 1865699217 NPHORATULXZMFM-LJQANCHMSA-N 501.871 5.453 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865703233 QVVMYJAXOVBFRH-NDEPHWFRSA-N 511.585 6.040 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865706821 GGDVPWNXDXZTEH-WJOKGBTCSA-N 555.657 6.982 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865707310 TUTAPBUFRSTZAA-GOSISDBHSA-N 525.314 5.492 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)CC2 1868456037 ICFLYKNQDILBLP-PMERELPUSA-N 555.679 7.376 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccc(F)cc3)n2)cc1 1868456886 WDEJXPCDZCDFHN-XMMPIXPASA-N 511.630 6.543 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c1 1872755137 ZWILQHPSTHHFIJ-FLFQWRMESA-N 503.580 5.562 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)cc5F)cs4)cc3C2=O)c(C)c1 1872817906 CPWLGJNKPKFMFF-DAFNUICNSA-N 513.525 6.456 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915129945 FHFXJBCZYRWSGG-ZDUSSCGKSA-N 504.060 6.028 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1C 1924570962 OFZMSQBWXCTUJO-JTQLQIEISA-N 533.905 6.837 50 10 KKGE CCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 1924584085 SXZSJSUCSGCKPE-MRVPVSSYSA-N 523.935 7.144 50 10 KKGE CSc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924591215 OJXWFZQFVLDKJN-SECBINFHSA-N 535.946 7.242 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2[C@H]3CCCC[C@H]32)c1Br 2002140756 UQEFIKOLKCXZMG-XQXXSGGOSA-N 507.911 6.908 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)COCCO1 2021896061 KTCKBYSZDHRDLH-XCBNKYQSSA-N 513.871 5.277 50 10 KKGE COC1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2085493930 IZDNDWINQWTEKD-NSHDSACASA-N 570.739 6.742 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1c(Br)cccc1Br 2094090266 FUSSMYVCRRZDKP-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Cc1oc(Br)cc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468285 ISGXWXPFYPOUBU-LBPRGKRZSA-N 601.152 7.729 50 10 KKGE FC1(F)[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141472282 BUTVJEFHPBNLOA-NXEZZACHSA-N 588.704 7.218 50 10 KKGE Cl[C@@H](CC[C@H]1CCCCO1)c1c(Br)c(Br)cc(Br)c1Br 2206406389 YZZKBUWREQNKNE-KCJUWKMLSA-N 554.342 7.366 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cscc2OCc2ccccc2)c(C)c1Br 2220156339 HALYRLJDAHRTNA-HXUWFJFHSA-N 500.683 7.797 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2I)c(C)c1Br 2235615937 WPBYJKNNBWYKIO-ZDUSSCGKSA-N 572.904 7.112 50 10 KKGE Cc1nn(C)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2240928531 CSIILGGUHVGHES-NSHDSACASA-N 570.732 6.760 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(C)ccc2I)s1 2241001267 NKQJHCZTUYEVOI-CQSZACIVSA-N 530.063 6.444 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2295148778 UFSSOVYOWKPYQS-UHFFFAOYSA-N 642.068 5.463 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 2295483005 QFPAWPUYMFULER-UHFFFAOYSA-N 591.620 5.263 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C)ccc2OC)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N 2295745571 PGSZSLXDVMEFOA-UHFFFAOYSA-N 552.578 6.444 50 10 KKGE Cc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(C)c1 2296548471 VVFHERLXPOSIID-MUUNZHRXSA-N 608.163 7.851 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc2ccccc12 2297533976 SKBJEMQUYGQPGC-UHFFFAOYSA-N 543.417 6.831 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)c(Br)s1 2301118890 IQCYRXDXLZSVGZ-YFKPBYRVSA-N 572.740 6.016 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567129 GWQOYHTUKLJJCK-UHFFFAOYSA-N 510.396 5.967 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 2313567964 QPVTUYNXVRTQSC-UHFFFAOYSA-N 590.053 5.390 50 10 KKGE CC(NNC(=O)C(c1ccccc1)c1ccccc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682355 ATNZFUXYCFXACA-UHFFFAOYSA-N 504.565 5.304 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314497195 IQTMXEBCMOUCMF-NRFANRHFSA-N 527.627 7.269 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314616708 HXTWNKAVVCBVAB-UHFFFAOYSA-N 528.612 5.957 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1C 2314616861 LIZVPVQVJQJFEI-UHFFFAOYSA-N 616.718 6.489 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634547 HOHYREAOPLXICQ-GDLZYMKVSA-N 565.453 7.018 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)cc1 2314646710 KNQBPFZLOTYQTP-IADCTJSHSA-N 660.752 5.096 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314646745 LWYFHNWCFITPST-GDLZYMKVSA-N 660.752 5.338 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(CC)cc3)c2C(=O)OCC)cc1 2314754476 SZLPHLCELUAKCU-UHFFFAOYSA-N 502.636 6.879 50 10 KKGE N#CC(C(=O)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)=C1Nc2ccccc2S1 2320729586 ZLLMGNGAIZBNOT-UHFFFAOYSA-N 521.421 5.410 50 10 KKGE Cc1ccc(C(=CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 2329587276 QCXHNMXQEKDFQO-MUUNZHRXSA-N 513.638 6.175 50 10 KKGE CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)C(C#N)=Cc3cccc(Cl)c3)sc2c1 2329687469 ZJOKPGLQVJQNOD-UHFFFAOYSA-N 503.049 5.306 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OC 2331042538 JXJSKZXCVPOZMR-UHFFFAOYSA-N 505.615 6.555 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331339887 IFESSVOQURDIPQ-UHFFFAOYSA-N 516.376 5.815 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)c(OC)cc1Cl 2331377017 YKSDZKVICDPDCQ-UHFFFAOYSA-N 502.979 6.662 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1OC(C)C 2331443986 VRCADOAKXNLUEE-UHFFFAOYSA-N 524.267 7.739 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 2331445396 QVZIFUMWZOSGLN-UHFFFAOYSA-N 521.469 8.549 50 10 KKGE CCN(Cc1ccccc1)c1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)cc3OC)cs2)cc1 2331472482 XQNFBYPZPPONNZ-UHFFFAOYSA-N 516.066 7.571 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OC)c1OC 2331492846 VNRIMGHQUUQBEL-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2336082950 FXADXQWBJIHOOZ-SFHVURJKSA-N 543.097 6.571 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1888950 QWDLRHHCGAMRSQ-VECHRTTRSA-N 540.447 5.918 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 20072265 KAOVTXNGUJNKQS-XPQDGABRSA-N 531.100 6.405 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)sc2c1CCCC2 33352460 WKZXBTIHPGAZJH-ZHZULCJRSA-N 522.070 6.719 50 10 KKGE COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 35446059 AMDMGOMDNPCQON-ULJHMMPZSA-N 510.569 5.317 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38687517 CKAPLPKWSZEMJV-MUUNZHRXSA-N 508.574 6.584 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccccc3Br)oc2c1 38700520 RHJUKJCMPWRMJY-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 40530049 PLMQKGKPLOWEAD-PMERELPUSA-N 526.633 6.728 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40815046 OXLHAJBPRJDWDN-RMLRFSFXSA-N 514.607 5.090 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 40822623 DACMFLLLNPRVQG-WGPBWIAQSA-N 522.557 5.731 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc(OC)c(OC)c3)c2C(=O)OCC)cc1 40882587 KSRRYWOZJQFYPR-XSFVSMFZSA-N 520.607 5.943 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 58894098 DVGSJEOIWUIWGT-DVMDLWDRSA-N 522.001 5.162 50 10 KKGE CCCCCCOc1ccccc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100146823 SWHAXZHVSUJUBU-UHFFFAOYSA-N 578.301 6.164 50 10 KKGE CCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 100184259 KIWZGUKDUNEUML-QRQIAZFYSA-N 550.482 5.728 50 10 KKGE CCOc1ccccc1C(=O)N/N=C/c1cc(OCc2cccc(Br)c2)ccc1Br 100220572 DIHOQAHGPXQNKM-VULFUBBASA-N 532.232 5.953 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1Cl 100235411 NJZBFPFWWRZYNL-ZTCOUNKMSA-N 585.926 6.773 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 100327666 BMNCBJXQNAKIEB-HSMHNTNPSA-N 578.834 5.496 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244766 XXOPXZXKAAOETI-NLTRVXJZSA-N 548.462 5.913 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101333069 XQTREPKIUCCMIB-TWKHWXDSSA-N 542.639 6.511 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 101333295 HTFAEPWHGFRDFS-NLRVBDNBSA-N 508.622 6.029 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101333601 NIPVYPDGKAFLTP-WEMUVCOSSA-N 570.693 7.291 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101334988 IRNNDTCVHJAXCE-FMFFXOCNSA-N 594.646 7.050 50 10 KKGE COc1cc(/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101337949 RDXXZZZEWWRBOR-RASHHNMQSA-N 512.993 6.281 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101341457 FOHWOIPENPVLKJ-WSDLNYQXSA-N 513.377 5.118 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362490 DNZGAXBVMIFVOP-HKBQPEDESA-N 532.596 6.490 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5C)ccc43)c2)cc1 101382380 HPMNLPORLHEJGZ-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382696 UPJWGRHEWXBBHV-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101386650 UMCPIYRWRUIEFU-MOILCHMESA-N 617.460 7.557 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 101388923 KYHGTBNLAIFOSQ-PMERELPUSA-N 605.449 7.548 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1Cl 101391249 KAZPEUULPIQZKO-DEOSSOPVSA-N 543.834 7.263 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1nn(Cc2ccc(Cl)cc2)cc1Br 103532746 CDPYXRKNIXKZTN-CCVNUDIWSA-N 523.818 5.690 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1 103870954 NVIBDRFSGAYHFB-DPNNOFEESA-N 553.732 7.368 50 10 KKGE Clc1cccc(C(CBr)(CBr)Cc2ccc(I)cc2)c1 118878048 ALMGYJKNXGPHEI-UHFFFAOYSA-N 528.453 6.215 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150387313 NXODKGLBVFCAPI-UHFFFAOYSA-N 739.078 5.678 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1F 150464090 DJXNJRWTMFXBPZ-NQWDTQFISA-N 680.758 5.783 50 10 KKGE COc1cc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c(OC)cc1Cl 150485161 PARYWDSEMCOFEU-RXWNNUQCSA-N 674.606 7.904 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 150485786 GKFWQNBHANUFQD-WBWCNCIZSA-N 683.827 7.116 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)C1(C)C)c1ccc([N+](=O)[O-])cc1 150541865 VTUUNZMWJDAKMH-VURDCNJBSA-N 628.473 5.712 50 10 KKGE COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 164607793 ZRRWVLWQSHZTBD-WCMJOSRZSA-N 719.317 5.978 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205656328 CBWNUMLVJJPTRK-ZCXASDFVSA-N 510.590 6.020 50 10 KKGE O=C(N/N=C/[C@H]1C=CC(Cl)=C[C@@]1(Cl)SSc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 211661273 HYRUIRQBLFKHSR-XMBJXICTSA-N 650.440 8.157 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214321012 FVMIHMARERAGTL-UQZWFDBPSA-N 506.606 5.236 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 236066054 DPAKTNIFXRVIAT-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1ccccc1Cl 253572007 PQZHRKKJIBGYNP-RUMWWMSVSA-N 518.105 7.070 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 254620293 OPFIACMDXKBYHL-UHFFFAOYSA-N 508.703 7.846 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1c(O)ccc2ccccc12 254742224 OCMHZLQHNSCGLM-UHFFFAOYSA-N 540.670 5.427 50 10 KKGE CC(=O)Oc1ccc(C(C)=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 254744080 OHGLJJLTCOWKSN-UHFFFAOYSA-N 560.701 5.192 50 10 KKGE CO[C@H]1C[C@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]5C)[C@H](OC)[C@@H]4C)O3)O2)O[C@H]([C@@H](C)[C@H]2O[C@H](CC(=O)OO)[C@@H](C)[C@H](OC)[C@H]2C)[C@@H]1C 255969180 DHYSCHSUXDLLKZ-XFVNYUDFSA-N 815.051 5.540 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cc(Br)c(Br)s1)CCO2 308411683 GFVOAPMOJRHRDJ-GFCCVEGCSA-N 531.889 6.455 50 10 KKGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)nc1 310732140 NJENJLYHGMFBSQ-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3scc(Br)c3Br)c(Cl)cc2N1 707834787 JXRZKBGWTCNEAD-LLVKDONJSA-N 500.437 5.905 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 725426387 ABVSQABSOLTDGX-NDEPHWFRSA-N 512.606 5.790 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C 1083818382 KEEBYCOQGORZDK-JGBXXWGASA-N 697.909 6.543 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc1 1083900785 ZKKAEUZGKQCPSG-UHFFFAOYSA-N 514.464 6.079 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1cccc(C)c1 1084164844 JJSSTYZZFLIZNC-MUUNZHRXSA-N 565.508 6.428 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc2ccccc12 1084184148 KDDWQVNDSBJODF-TURZUDJPSA-N 502.614 7.400 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])C1 1614631192 VCVZQDRDNVBQML-PBHICJAKSA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746073 BKKSZIFYIBOZNE-UHFFFAOYSA-N 590.079 8.423 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OC(C)C 1772756066 YHWUVVULTCPVTH-UHFFFAOYSA-N 505.453 5.852 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865690951 FRLWZBGEOZUFBA-NDEPHWFRSA-N 520.633 6.725 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CCC)cc1OC 1865691172 LLCIBLRALILFHQ-HNNXBMFYSA-N 515.330 5.090 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865692424 FPDCCAMEHGULCF-DEOSSOPVSA-N 547.442 6.862 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccccc3F)cc2)cc1 1865694202 VQACIDHOZSBNTM-PMERELPUSA-N 542.614 6.843 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865694253 WEXYUIGBFRLNPW-VWLOTQADSA-N 577.468 6.870 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCC)c(OC)c1)C(C#N)=C(N)O2 1865694980 HCNSVGQOGWTCTP-JOCHJYFZSA-N 509.404 5.213 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865695820 UMXHLTGAAJSLMI-HHHXNRCGSA-N 522.605 5.693 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697888 DXMHZNBKPDNTIN-RUZDIDTESA-N 544.970 5.389 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702537 BITNQMXGKJLUPQ-MHZLTWQESA-N 545.470 6.988 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865702729 CRQBIJCTGRXRQG-LJAQVGFWSA-N 506.606 5.744 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)ccc1OCc1ccccc1C 1865703649 XWHOXYXXYFYDRO-MHZLTWQESA-N 506.606 6.074 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OC(=O)c1ccccc1 1865704845 FWVPQWDVNRSJFZ-QFIPXVFZSA-N 532.478 5.337 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704906 HNWCCHDSABZUMJ-DEOSSOPVSA-N 541.405 5.635 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(Cl)c1O 1865706767 FENRBKZVIDIJRY-QFIPXVFZSA-N 519.388 5.838 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866583410 QPWMMWOQCUYULV-AREMUKBSSA-N 558.685 5.218 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(Cl)c3)CC2)n1 1868231983 ZAPGHGXVQKCEEP-UHFFFAOYSA-N 507.107 6.325 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2ccc(OC)cc2)n1 1868387887 BHUVXQDOWHAKOX-SSEXGKCCSA-N 507.663 6.907 50 10 KKGE C[C@@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868456428 OBSWHDYVLPGBJV-CJAUYULYSA-N 515.589 6.705 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1csc2c1CCCC2 1923050390 UPFZBLVBWJDSGD-JTQLQIEISA-N 505.522 7.351 50 10 KKGE COCC1(C[C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924604722 HCMAYLLAQHPARD-ZCFIWIBFSA-N 511.899 6.288 50 10 KKGE Clc1sc([C@@H](Br)c2c(Br)cccc2Br)cc1Br 1945320848 BIVMZZQGGXCMDF-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE O=C(N[C@H](CC1(CCCC[C@@H]2CCSS2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952060125 OQOBAUOEYZVXGB-KBMIEXCESA-N 511.709 6.863 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1scc(Br)c1Br 1985349564 AZHIPRGPDMGOOC-UHFFFAOYSA-N 506.351 5.269 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ncsc2Br)c1Br 2024282991 OIKHLOGQGUNOFL-SECBINFHSA-N 504.867 6.223 50 10 KKGE CO[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780168 PNRXNJASZWUNPT-BTDYQHFOSA-N 556.712 6.208 50 10 KKGE CC1(C)C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780502 UEULQSFQYRDGGV-ANLVUFKYSA-N 554.740 7.219 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012760 OGHUVJCTSYYAOG-UMBFBCDYSA-N 672.671 11.271 50 10 KKGE CC(C)Oc1ccc(C=C(C#N)S(=O)(=O)c2ccccc2)c(OC(C)C)c1Cc1c(F)cccc1Cl 2040736875 MOOWNRKQNDLZQT-UHFFFAOYSA-N 528.045 6.983 50 10 KKGE CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4c(s3)CCCC4)ccc21 2053614960 REJNRPHHDNLSHV-UHFFFAOYSA-N 525.681 8.067 50 10 KKGE CC(C)c1ccc(NC(SCCOc2ccc(Br)cc2)=C(C#N)c2nc3ccccc3s2)cc1 2053623055 CEFKZTWOPBRRJT-UHFFFAOYSA-N 550.547 8.299 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C[C@H]3CCC[C@@H]3C2)c1Br 2063519182 BONSRSWCHJJSEC-BRDIYROLSA-N 521.938 7.298 50 10 KKGE FC1(F)C[C@]1(Br)COc1c(Br)cc(Br)cc1CBr 2082494967 TVAZYVDLLWKSKB-JTQLQIEISA-N 513.796 5.658 50 10 KKGE C[C@@H]1C[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085495225 IYQFBCPSPPERQZ-IJESPZCISA-N 526.288 6.442 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1csc(I)c1 2085641806 HFSYJOKPIKGFPE-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Cc1nc(C[C@@H](Br)c2ccc(I)c(Br)c2)sc1C 2085800453 OGRTUBCVXWBFOE-SNVBAGLBSA-N 501.025 5.806 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(I)c(Cl)c2)c1Br 2138850436 MDUCMQLQCGNTKX-CQSZACIVSA-N 579.295 7.262 50 10 KKGE Clc1cc(CC(CBr)(CBr)c2ccccc2Br)c(Cl)s1 2195407805 RLYSSQGIQHTPBN-UHFFFAOYSA-N 521.927 7.088 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1Cl 2201612061 WRALLCQXASWJMB-NSHDSACASA-N 556.797 7.076 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCCCC2 2206393959 DABIFXBVAAGVSJ-CLAHSXSESA-N 550.354 7.987 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]12 2206394982 KXBSPVJHFXFCMH-KRQXZNPVSA-N 548.338 7.309 50 10 KKGE Brc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206396620 YYRMGQOVNQMDQL-NSHDSACASA-N 720.511 8.746 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206407366 BVZREZRLJBRHGG-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE Cl[C@H](Cc1cccc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2206410659 ZXDDJGZTTOLQME-LLVKDONJSA-N 611.191 8.022 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Cl)c1ccc(Br)cc1I 2218809904 ZYOPNVGIGQKMQQ-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE CC1(C)CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2235162228 UCYOZGPZDRNJPI-RNCFNFMXSA-N 554.342 7.364 50 10 KKGE Cc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)oc1Br 2263524058 FSLROZLBEFEZLG-LLVKDONJSA-N 501.838 6.554 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1I 2269547931 QOKRPDBETUAPHH-CQSZACIVSA-N 516.398 6.153 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2297458621 MADWGEWHSLLJNX-XMMPIXPASA-N 506.002 5.264 50 10 KKGE N#CC(=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2[nH]1 2297578044 ZTMXBZALIGVLSP-UHFFFAOYSA-N 514.133 6.320 50 10 KKGE BrCC(CBr)(Cc1ccc(I)c(Br)c1)C1CC1 2306197863 VCGDFUMAARKGCT-UHFFFAOYSA-N 536.871 5.782 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1ccccc1 2313541615 QQVMDYRFKIDJCN-UHFFFAOYSA-N 638.097 6.941 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc2c(c1)OCO2 2313570868 IDOUBLFDPVYSFH-UHFFFAOYSA-N 576.230 6.618 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571384 VAWMUANRSIAJFG-UHFFFAOYSA-N 537.186 7.333 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314617861 CABVVCQYVFBNCQ-RUZDIDTESA-N 556.666 6.988 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314621118 ZBNAQLBEJUGFCQ-NRFANRHFSA-N 575.068 6.617 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643105 BHWCSBPCEHRPQP-MGBGTMOVSA-N 579.052 7.073 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646613 FVVFWHBITAMEQO-HKBQPEDESA-N 660.796 6.415 50 10 KKGE CCOc1ccc(Br)cc1C=CC(=O)Oc1ccc(C=C(C#N)C(=O)NCc2ccco2)cc1OC 2314748424 KRTHSBOHMHDQFL-UHFFFAOYSA-N 551.393 5.292 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699318 BDJIZKYUOYSESZ-UHFFFAOYSA-N 535.463 6.779 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235117 RAESDROXOXOYTE-UHFFFAOYSA-N 520.792 6.786 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1C(C)C 2331355995 BGONPLWCTODEEA-OAHLLOKOSA-N 503.451 7.818 50 10 KKGE COC(=O)c1ccccc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 2331373291 WAIJDAUYLRRKBU-KRWDZBQOSA-N 503.580 5.068 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)CC1=O 2331396374 RXTWKYNGBNJICX-QFIPXVFZSA-N 513.707 7.387 50 10 KKGE Clc1ccc(COc2c(Br)cccc2CBr)c(I)c1 2341027979 QHTWHLUGOMWVFM-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)ccc2Br)c1Br 2362227098 ZWWVUTFHHKSNEJ-GFCCVEGCSA-N 570.703 7.857 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1Cl 2365186715 TUACQLXTYTVVGK-NSHDSACASA-N 550.285 7.559 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1I 2365192395 CBBWGHAZNWPKSY-LBPRGKRZSA-N 641.736 7.511 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12 33919130 ACDRDZDWSKVKSC-WODBGDRHSA-N 520.629 6.619 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38685074 PMIKSWDMBYIFPE-VWLOTQADSA-N 519.395 6.065 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 59303802 ATZHPJYRQQLQAM-KEIPNQJHSA-N 520.032 7.449 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1F 59335620 SEGXVJJKCHOKJM-NDENLUEZSA-N 509.375 6.420 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)CCl)ccc1OC(C)C 97914666 LCMWICSJFBCOMT-HHHXNRCGSA-N 505.099 5.930 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(F)cc1 100228031 UCXIMZZVDHWWHV-SLLOZXFSSA-N 576.406 5.372 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1 100452686 YEUJSSPDUSRCAE-RJNBOEKGSA-N 593.259 5.597 50 10 KKGE CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100921628 XOYOHRWRQWLITI-RYGJVYDSSA-N 536.146 6.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 101339775 JDQAPGZJRVFDNN-VCHYOVAHSA-N 507.329 5.775 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc21 101368996 UUUVTASFIQERON-AREMUKBSSA-N 527.374 6.048 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OCC 101374148 FGSNJUWBGWVYNA-MHZLTWQESA-N 529.549 5.610 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OCC)c2)c1 101375118 IIIYVVXWRWYJMR-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1OC 101375360 XCBHHCFKNYRARS-HHHXNRCGSA-N 518.635 6.543 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl 101379244 IUCMTRXRGOFQHR-WJOKGBTCSA-N 601.486 7.392 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379989 FSIIOVLVNNOKRQ-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccccc5F)ccc43)c2)cc1 101382224 KKMPMDTVEUUZIL-UKPGIYTDSA-N 550.586 6.304 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387209 ZJLKKQINGUAHAT-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c1 101389632 BGSNTBRRQZMRRE-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)oc2ccc(Br)cc12 101391706 RABGYFMSDXAYRG-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 101395913 FNHFVJNOQSUNES-WJOKGBTCSA-N 566.654 7.536 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101396563 KXCLDKDVFUXQLY-NDEPHWFRSA-N 587.470 7.510 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603194 JFACGQIAIQMJGC-VUTHCHCSSA-N 528.392 5.428 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611845 MYFPUJVNAISSFF-RUMWWMSVSA-N 573.452 5.232 50 10 KKGE COc1cc(/C=C(\C#N)c2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1Br 101652372 HATTZWUDGIEKNU-WOJGMQOQSA-N 543.211 6.269 50 10 KKGE CCOC(=O)C1=c2s/c(=C/c3ccccc3Oc3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1 102399788 JKKFLXFHNIPIJV-HUPCEJOPSA-N 613.695 5.485 50 10 KKGE Cc1ccc(N/C(SCC(=O)N2c3ccccc3Sc3ccccc32)=C(\C#N)c2nc3ccccc3s2)cc1 102931692 WGQTUNBAQRZYRX-SWKFRHMKSA-N 562.745 8.472 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1 103880728 VVKUARSRWPRTBF-HPNXWYHWSA-N 608.536 7.957 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 150430374 VUVPCYRWLGMLRL-PCYMAAINSA-N 718.757 6.491 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 150482369 RIVWCDKROAMFRH-MHZLTWQESA-N 633.940 8.878 50 10 KKGE O=C(CCCCCCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O)N/N=C/c1cc(Br)cc(Br)c1O 164003917 XHARMXWNYVNHRY-IHXWQEJPSA-N 782.166 7.649 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 164609288 CNDQFWRAXLCOKU-ODNPBWNPSA-N 661.369 8.460 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccccc1C(C)(C)C 206734274 TYUIQZLPLKPOJO-QNGOZBTKSA-N 502.567 5.184 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2-c2c(cccc2P(c2ccc(C)cc2)c2ccc(C)cc2)OCCCO3)cc1 220749768 PAXPGFICITVKQX-UHFFFAOYSA-N 650.739 8.265 50 10 KKGE CC(C)[Si]1(C(C)C)O[C@@H]2[C@@H](O[Si](C(C)C)(C(C)C)O1)[C@@H](O)[C@H]1O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]1[C@H]2O 238809035 HUTZIUSFMYKECY-SEEYJXTMSA-N 665.178 7.372 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@H]21)(c1ccccc1)c1ccccc1 248147922 FTCJOOMHYRJOAM-HVRNLMOBSA-N 590.792 6.407 50 10 KKGE CCc1ccccc1N=C1S/C(=C2/C(=O)N(CCCl)c3ccccc32)C(=O)N1c1ccccc1CC 252589668 AMGYWYALYGMGJQ-SZZYFWIBSA-N 516.066 6.576 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)COc1ccc(Cl)cc1Cl 254311137 NMMHKKMJCNTPNE-UHFFFAOYSA-N 510.997 5.056 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1OCc1ccccc1 254387212 PLQSEVOISSLOKR-UHFFFAOYSA-N 577.710 6.381 50 10 KKGE COC(=O)c1ccc(COc2ccccc2C=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1 254489905 LFXKVWGIYACBAB-UHFFFAOYSA-N 545.595 5.943 50 10 KKGE COc1cc(-c2cc(C(=O)NN=Cc3cccc(Oc4ccccc4)c3)c3ccccc3n2)cc(OC)c1OC 254863560 VBFLNGJWVJMDTA-UHFFFAOYSA-N 533.584 6.484 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4s3)c3ccccc32)C1 254873954 LUWXUXUTUWTXLM-XDBZFTIUSA-N 533.723 5.114 50 10 KKGE CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 256014872 YZUJIMXHROAZNZ-ZHWSJUNKSA-N 518.811 7.225 50 10 KKGE in-vitro Cc1cc(Br)c([C@@H](Br)c2sccc2I)cc1Br 310364268 UXZXUYXKRSQEAS-LLVKDONJSA-N 550.879 6.670 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(C)cccc2Br)cc1Br 381696349 FPFLAKLUDPNPHY-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 394419021 XALJXDVDAKUKJB-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Clc1cccc(COc2c(Br)cc(CBr)cc2Br)c1Br 719384533 QFVMGEOJEFNKAN-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(Cl)ccc2C)cc1 1084206955 DBMQDUOXUWRSEP-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1 1084518541 QZSXCNPLUCDIND-UHFFFAOYSA-N 663.262 6.240 50 10 KKGE C=CCc1cc(C=NNC(=O)CSCc2cccc(Br)c2)ccc1OCc1ccc(Br)cc1 1565517705 VUVZDVWRONUYND-UHFFFAOYSA-N 588.365 6.903 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748673 CLGBZJFJPQWUMZ-UHFFFAOYSA-N 565.251 6.145 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c(C)c1 1772748679 MUDJHRRQODINFZ-UHFFFAOYSA-N 505.618 6.446 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(Br)c1 1772756423 YGQXVXQTXWXQHR-UHFFFAOYSA-N 580.306 6.825 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2c(Br)nc3c2NC(=N)N[C@@H]3OCc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C 1848436103 WZONGDXIZTUQFZ-VRIJDZSUSA-N 666.810 7.511 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685991 PBHJYPNMYARGHP-OAQYLSRUSA-N 558.252 7.380 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688039 HDLREZZPPIXRRI-SSEXGKCCSA-N 534.660 6.388 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4c(Cl)cccc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1 1865688914 FHIZNEKEUNRNSJ-RUZDIDTESA-N 563.441 6.208 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865690901 DRWREVWCRIVCQF-QHCPKHFHSA-N 561.004 6.789 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865690933 FJYLZHIDRCGEBH-SANMLTNESA-N 527.024 6.598 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OCC 1865691688 YZBKIBFLKXMZAU-AREMUKBSSA-N 565.512 6.773 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)cc1OC 1865693448 VRIGGKHWCQMQJN-JOCHJYFZSA-N 541.421 5.411 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1 1865702617 CCBUYBBNULUQRR-XMMPIXPASA-N 550.968 6.709 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703671 YQWFCOZPCHVOBM-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)n2)cc1 1868320767 NMMMDXRTEHTYPV-RUZDIDTESA-N 514.054 7.000 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)CC2=O)cc1 1872743744 KHTZAPIOIAKAGF-AQDNNVBGSA-N 519.670 7.665 50 10 KKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(F)c(F)c2)cs1 1872751341 CLZLOGKKTHYDSK-XLNRJJMWSA-N 521.998 5.866 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(Oc4ccccc4)c3)n2)cc1 1872753470 YSGIJSDTLISJQQ-HYOGKJQXSA-N 510.659 8.901 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)ccc1Br 1922895903 ALDFBHRZKZFUPQ-NSHDSACASA-N 517.906 7.137 50 10 KKGE Clc1ccccc1C[C@H](Br)c1c(Br)sc(Br)c1Br 1924590188 HWWXBKIKTWJFPZ-ZETCQYMHSA-N 538.324 7.368 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cccc(Br)c1Br 1925547058 DIHLPZLDBINQMZ-QMMMGPOBSA-N 514.291 7.671 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)sn2)c1Br 2024289836 MLVYYYMCRXENPM-LLVKDONJSA-N 504.867 6.223 50 10 KKGE CC1(C)C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780504 UEULQSFQYRDGGV-MLUIRONXSA-N 554.740 7.219 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)Cc2ccccc2I)c1 2027336003 MINODCHKTZTRLR-ZDUSSCGKSA-N 544.850 6.495 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC23CCC(CC2)C3)c1Br 2039382017 VZLKVZIKBDDIQQ-LPATWVRLSA-N 521.938 7.442 50 10 KKGE Cc1ccc(Cl)c(NC(=O)CSC(Nc2cccc(Cl)c2C)=C(C#N)c2nc3ccccc3s2)c1Cl 2053622624 IAGJSYNYEWZDEQ-UHFFFAOYSA-N 573.958 8.550 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(I)c1OC(=O)c1ccc(OC)cc1 2053623059 CIXZIXYCVJJDPA-UHFFFAOYSA-N 647.809 6.025 50 10 KKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2076183603 HHCSIBOIJAIFPW-PJKMHFRUSA-N 524.942 6.250 50 10 KKGE FC(F)(F)C(F)(F)CCCSCCCCCCCCCSCCCCCCCCCI 2080577525 VELJXMMITOISGX-UHFFFAOYSA-N 604.617 10.327 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468360 JIVLCYNOOJLEEP-WFEFGEHDSA-N 538.343 7.843 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)O2 2141471881 XHHPXAOYXBWULD-BZCBFNEHSA-N 538.299 6.728 50 10 KKGE FCCOc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2189519869 ZZTNKFOGXMSHLV-JTQLQIEISA-N 507.444 6.759 50 10 KKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206394281 FUFQVDRPKLEEDZ-BBHOERDKSA-N 596.777 7.130 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCC23CCC3)c1Br 2206396999 DACCPDYDLIXKHQ-QPUJVOFHSA-N 594.805 8.143 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2206571868 VBDPYGMXIMGMHU-AWEZNQCLSA-N 527.876 6.775 50 10 KKGE CCCC[C@H](C)CC[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2207146422 YAEQDMPHIYKYNI-UWVGGRQHSA-N 598.837 8.779 50 10 KKGE Brc1sc([C@H]2CN(C3CC3)C[C@@H]2Br)c(Br)c1Br 2216417263 FDWGXIKWHWBZIE-BQBZGAKWSA-N 508.899 5.361 50 10 KKGE COc1cc(C)ccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2225620153 REBVUYWRMJSBCP-SNVBAGLBSA-N 533.905 6.837 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)c(Br)cc1F 2225635309 UNVHFCWYVATASC-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2ccc(F)c(Br)c2F)c1 2232219048 BBPZVUSGINVSPS-GFCCVEGCSA-N 501.934 6.125 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2Br)c(C)c1Cl 2232528432 SGRBRCJNJMHIBS-CQSZACIVSA-N 501.871 7.620 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(I)ccc2Br)c(F)c1Br 2236107061 FVTUTNFPSLJDSR-LLVKDONJSA-N 584.793 6.718 50 10 KKGE COC1([C@H](Br)c2c(Br)sc(Br)c2Br)CC(C)C1 2247501156 XEFZQVRUKPNGID-GBZMYTLWSA-N 511.899 6.287 50 10 KKGE CN(Cc1ccccc1I)c1cc(Br)cc(F)c1CBr 2280259289 XIFMHQUWVJXJAN-UHFFFAOYSA-N 512.986 5.724 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(F)cc2I)c(Br)c1Cl 2283560347 CUQRPKSHMGQART-LBPRGKRZSA-N 534.388 6.339 50 10 KKGE Cc1cccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1Br 2288348863 JMWAJDAERTVLSG-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Cl)cc1 2294619896 IWLQLWCFDNJGDJ-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccc3ccccc23)cs1 2296048081 YVPMOEGVSGHODX-UHFFFAOYSA-N 515.645 6.197 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299530688 ONCAOKZZNTZCRU-SFHVURJKSA-N 515.043 6.008 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521501 SIZBHCXGDCRKRT-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl 2313545729 BERMNUAXUOWQBY-UHFFFAOYSA-N 580.910 6.336 50 10 KKGE CC1=C(C#N)c2[nH]c(=N)c(C#N)c(C)c2C1=Cc1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 2313565087 RBIILFLWRVLKKE-UHFFFAOYSA-N 584.749 7.434 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571297 RSPXVDNAQGSKKR-UHFFFAOYSA-N 631.151 8.796 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 2314482819 XAGXHEIJFCMLJB-UHFFFAOYSA-N 547.614 5.045 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 2314610716 LLJMIPMJLJNSAL-UHFFFAOYSA-N 536.676 6.891 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314619958 HYNYJPGIXWZSIL-UHFFFAOYSA-N 549.030 6.384 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccoc2Br)c1Br 2315458113 JMGQGWRLGADYGY-MRVPVSSYSA-N 526.219 6.844 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CBr)(OCc2c(Br)cccc2Br)C1 2318173544 YCTMTIYNSFWRBO-SFHVURJKSA-N 542.106 5.893 50 10 KKGE COc1cc(C=NNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 2328796700 YHPCIOABURIMMY-NRFANRHFSA-N 504.027 5.317 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)c1 2331325321 KFRTZDZKDDFSCI-UHFFFAOYSA-N 513.531 5.166 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 2331393912 HQHZCJZHYQLXEE-HXUWFJFHSA-N 501.608 5.758 50 10 KKGE COc1cc(F)c(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1 2364642420 TXWXUJPOYRHEJS-UHFFFAOYSA-N 513.775 5.209 50 10 KKGE Clc1ccc(C[C@H](CBr)Cc2ccccc2Br)c(I)c1 2366713971 DQWCVCVYVXDVAA-LLVKDONJSA-N 528.453 6.503 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(OCCC(C)C)cc1 14648367 YAPPPIJCORYAGN-UHFFFAOYSA-N 505.453 5.908 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 35045320 JQHDWQKAOLKEFY-XKZIYDEJSA-N 524.086 7.209 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38701299 YMTVGRXTVOIYMF-MUUNZHRXSA-N 522.557 5.799 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)c1 40530120 DZTBAXDJZPAKPT-PMERELPUSA-N 526.633 6.872 50 10 KKGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 50575293 RCXNDVVJWOCWJN-PLRJNAJWSA-N 508.585 5.842 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 100235920 LEVQVYOPUFJWLG-QMBVZLLKSA-N 585.451 5.128 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 100452124 BPJNYCKTRPCHAP-PEHSQKLVSA-N 541.873 6.374 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101336261 WYQGYOYLEWQDFL-RDRPBHBLSA-N 552.675 6.042 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)cc1OC 101367962 CBWXVAQMVRULGR-LJAQVGFWSA-N 559.575 5.375 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369224 VCVSOSQHKCYYCZ-LJAQVGFWSA-N 524.960 6.335 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101375470 CMMXTCNHPNTDKJ-BGOLNKOXSA-N 574.649 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380278 KJQISOGTGQIESQ-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383546 RYKSSCHLWICSOD-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 101391872 CCVJJIBCWANUBY-NRFANRHFSA-N 538.368 6.554 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1Cl 101395159 FGFURSWWINIWIJ-DEOSSOPVSA-N 553.398 6.006 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 101397505 POSZDESXAUAKCJ-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)oc2c1C 101397819 SRYDFQKWUPMZAM-HKBQPEDESA-N 574.608 7.514 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc(Br)c3)n2-c2ccc(C)cc2)cc1 101408923 OWQRUDWXKOLMOR-MTDXEUNCSA-N 550.482 5.646 50 10 KKGE COc1cc(C(=O)Oc2ccc(Br)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 101464052 PCAPBVCMUCQCBJ-NVJOKUIPSA-N 582.234 5.765 50 10 KKGE COC(=O)c1cc(OC)c(OC)cc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 102419985 SDNBAJCWGZNXBT-KAMYIIQDSA-N 568.405 5.459 50 10 KKGE Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 103742095 URDLUQJZRJBVKR-BSSRNLCFSA-N 532.463 5.500 50 10 KKGE COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1OC 104919412 XJDBDBYJFGJHIC-VFCFBJKWSA-N 613.736 5.571 50 10 KKGE N#C[C@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cc2ccccc2cc1O)c1nc2ccccc2s1 106424991 QYQHZJUZIYQAPN-XHQJSEBESA-N 592.637 6.265 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 150442385 ZJAIBYAIXHNHCR-YXTVXKGXSA-N 678.742 6.083 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1 164646928 DLGQUWWPVQIIQM-LGJNPRDNSA-N 622.200 5.985 50 10 KKGE O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2oc(-c3ccc(Br)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1 195802017 JZKYEAREDUXDFH-PXJZQJOASA-N 673.571 6.509 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 214401499 GAYNFPCCWMSZSN-COEJQBHMSA-N 604.682 6.701 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232343517 HXLJSGHFEWLQEX-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 234976721 WQLPPVVSTCUQHA-CQSZACIVSA-N 513.849 6.467 50 10 KKGE Cc1cccc(NCc2nnc(SCC(=O)NN=Cc3ccc(F)cc3)n2-c2ccc(Cl)cc2Cl)c1 252596044 CGCORPWXXCEEMG-UHFFFAOYSA-N 543.455 5.876 50 10 KKGE COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4)cc3)cc2)CC1 254486407 YPDYDYFMTSHAAA-UHFFFAOYSA-N 548.643 5.001 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 254508590 RWRIGBZVOTYOTC-UHFFFAOYSA-N 534.609 5.411 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2OC)cc1 254557298 PRHVGNDRZDNKGU-UHFFFAOYSA-N 587.654 5.186 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254594553 UAXKXLHTGRXKPP-UHFFFAOYSA-N 533.701 6.936 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(O)c1 254844275 HNCDAQDZXSWXRR-UHFFFAOYSA-N 514.655 5.037 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 254861058 ZPJGJSJRHLMJFI-SETAIBCUSA-N 594.584 5.283 50 10 KKGE CC[C@]1(C)[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 310663681 XQRSPMRUWHRKOO-NQBHXWOUSA-N 510.968 5.724 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 379982205 JXTJFJDGMDBMRW-CQSZACIVSA-N 619.860 6.078 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2ccc(Br)c(Cl)c2)[C@@H](CI)C1 382688987 OUKFFXAAAGBAIU-NWDGAFQWSA-N 500.602 5.488 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)cc1Br 705436622 BFVJXHLGBGBYSC-JTQLQIEISA-N 582.775 7.591 50 10 KKGE O=C(NC1CCCCC1)[C@@H](c1csc(C(F)(F)F)n1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237588 KPYYPVWYRVTBCM-QGZVFWFLSA-N 527.918 5.943 50 10 KKGE CC(C)CN(Cc1ccc(F)cc1)C(=O)NC[C@@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1 725238896 SPMWXWXTQNEAAD-LJAQVGFWSA-N 594.152 7.860 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)Cc2ccccc2)cc1 1083969294 DPGAGQHNRIOFPY-UHFFFAOYSA-N 592.121 5.047 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084149909 RFXIPUYTGHNHEE-UHFFFAOYSA-N 623.573 5.909 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc2ccccc12 1084241809 SFXQGZUVWGCADE-UHFFFAOYSA-N 511.603 6.201 50 10 KKGE CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=NNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 1084328499 OMQNKAIBLFSOGM-NDEPHWFRSA-N 537.019 6.092 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084365289 BFYGLQDRFZFTBY-QFIPXVFZSA-N 546.805 5.554 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084407593 IKLSCTSBZWGJMB-JOCHJYFZSA-N 606.200 5.701 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084463623 ZXZQVNKFLACNID-DEOSSOPVSA-N 635.309 6.061 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746122 PUNVCVDDSCPBLP-UHFFFAOYSA-N 558.978 6.665 50 10 KKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747669 FKLMNSFTAIIERB-UHFFFAOYSA-N 505.618 5.549 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 1772755426 HFCBAXUPBOLYAV-NRFANRHFSA-N 515.009 6.512 50 10 KKGE COc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 1772756333 UYGAHHMXGMNMTO-UHFFFAOYSA-N 509.842 6.477 50 10 KKGE CCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665416 HNLMHAUNUCSDSQ-OSJXPWDQSA-N 549.678 9.503 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC)cc1OC 1865693759 YJXUGLJEZIGHQN-OAQYLSRUSA-N 523.431 5.738 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702876 HJPJQJRKRGQTJQ-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865702999 KJSIFPFEFSRLTM-QHCPKHFHSA-N 536.941 6.650 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865703788 FVBPRDWKFZBXDD-PMERELPUSA-N 575.068 7.307 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704587 ZILDHIXPURBSNN-XIFFEERXSA-N 548.646 7.538 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1 1865706815 GFDXKVLVCKJMHM-NDEPHWFRSA-N 510.041 6.138 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(Cl)c1O 1865706996 LIHFVCYQSPMWJV-JOCHJYFZSA-N 519.388 5.838 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711771 HQMOEXPSBSZCAC-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865714587 MWPKFFGNQBGQNH-JOCHJYFZSA-N 534.359 5.737 50 10 KKGE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866794093 CRIJRIUZRKJLCZ-MHZLTWQESA-N 531.747 6.683 50 10 KKGE C[C@H](NC(=O)C[C@@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040574 SPUFPDYAVFHSPY-LIRRHRJNSA-N 515.458 5.144 50 10 KKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 1872756020 QICJXKRMQNTJBY-NMWGTECJSA-N 503.451 8.034 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccc(Cl)cc1 1873499416 TZXNGUBOECJFKB-ZTAUZCEESA-N 502.011 5.025 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1I 1924595831 FMONONKFJDHMCN-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE CCCOc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924599766 LJNXGKRWAMVWDJ-NSHDSACASA-N 547.932 7.309 50 10 KKGE Brc1sc(Br)c([C@H](Br)C23CCC(CC2)O3)c1Br 2017155985 CGAYEDHHQKQDLZ-QHCBANEHSA-N 509.883 6.183 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccc(I)cc1 2042446091 RWGXEFWAZGDDLS-UHFFFAOYSA-N 549.384 6.559 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1)c1nnc2n1CCCCC2 2053614483 VFKHLXCBVWMENT-UHFFFAOYSA-N 528.534 6.974 50 10 KKGE Cl[C@@H](c1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2085495255 JKOXROFGOVXSNU-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE Cl[C@H](c1cc(C2CC2)c(Br)s1)c1cc(I)ccc1Br 2094674056 QUEWWIRFXDZZOW-ZDUSSCGKSA-N 532.466 7.083 50 10 KKGE Brc1ccc([C@H](Br)CCc2c(Br)cccc2Br)cc1 2113490165 ZHZZIFMKJBHTMC-CYBMUJFWSA-N 511.877 7.043 50 10 KKGE Clc1cncc(Cl)c1COc1c(Br)cc(CBr)cc1Br 2149793946 RMPLILVNXNLKCZ-UHFFFAOYSA-N 504.831 6.387 50 10 KKGE CC(C)CO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 2165550918 GOTHUZZOSFJLRN-OASPWFOLSA-N 540.994 5.349 50 10 KKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 2186711288 PFQJZGLHDUQFQY-LJQANCHMSA-N 506.204 5.906 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(Br)cs1 2213490311 QIYMOUAPJXPTPU-LLVKDONJSA-N 507.842 6.659 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)oc1Br 2224322813 QPONMMIVROBUEP-SECBINFHSA-N 512.250 7.558 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2C)c(C)c1Br 2235609391 NKZTVZQRQVJVLI-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE CC(C)(C)OC(=O)NCCCN(CCCCI)c1cccc(Br)c1 2248240327 CUXVUAGZQWABBP-UHFFFAOYSA-N 511.242 5.386 50 10 KKGE FC1(F)CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2277716752 PKGDIBPORKWHHJ-BLTYZCFWSA-N 546.269 7.452 50 10 KKGE Cc1sc([C@@H](Br)c2cc3sc(Br)cc3s2)c(C)c1Br 2278090750 GDIRGYMMEXDOIT-LBPRGKRZSA-N 501.128 7.650 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2296056437 IAFXDIYWFBBNCK-VWLOTQADSA-N 502.039 6.330 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC)cc1 2297321194 XYQZGAHMYCIPBZ-UHFFFAOYSA-N 549.469 5.225 50 10 KKGE Fc1ccc([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2314452370 MKMJYDJQQROZIZ-FQEVSTJZSA-N 531.590 7.100 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314487613 DEVQYKLXJAMQRR-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593919 VYCKGQYCOVPGEG-VWLOTQADSA-N 502.039 5.645 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 2314617351 WRDSYPNEUVFJPB-UHFFFAOYSA-N 549.030 6.302 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 2314789586 KGQCHDLSWLBVOD-UHFFFAOYSA-N 549.849 5.536 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 2331025510 DMCOPDLIQCFDAL-UHFFFAOYSA-N 516.247 8.009 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)cc1C 2331259808 CTHBMFOOZLMPCV-UHFFFAOYSA-N 519.848 7.195 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3c[nH]c4ccccc34)cs2)c(Br)c(OC)c1OC 2331346774 JQYKUVYPUHLXRK-UHFFFAOYSA-N 512.385 6.030 50 10 KKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362251586 BMXFJDFCILNBPV-NSHDSACASA-N 509.797 7.281 50 10 KKGE FC(F)(F)c1cc(Cl)ccc1[C@H](Br)c1sc(Cl)cc1I 2364123324 DNZQNZPCBMJCJL-JTQLQIEISA-N 515.947 7.163 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(Br)c(Br)s2)c1Br 2365223123 KHXWHJJWNQFXKZ-LLVKDONJSA-N 568.350 7.443 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 3084643 HUMQSKZLUWSVIW-KCSSXMTESA-N 582.509 6.226 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 29491628 SEFAGBXJOKLFCZ-MOHJPFBDSA-N 593.087 6.325 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC(=O)c1cccc2ccccc12 35227619 ZDRSWGDXSUDEJD-QNGOZBTKSA-N 507.502 5.830 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 38604011 YUBUHUQCMHAFAS-OVVQPSECSA-N 506.650 6.637 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1 38658516 XDOGADOFMOWQKC-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 38681101 KWYVGLUMJWPWOE-LJAQVGFWSA-N 526.589 5.732 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 38685706 MKSQJZZEUSQZMC-VWLOTQADSA-N 511.361 5.595 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)c(C)c2c1 38688351 PFTYUIQFXFLUPH-XMMPIXPASA-N 505.357 6.794 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)c(C)c2c1 38700600 KCZARTWKGOKGDU-XMMPIXPASA-N 502.929 6.534 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 58895275 PAUPNMJPXCZFPP-QGFINPQDSA-N 520.601 5.504 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccccc1OCc1ccccc1 58990393 ZKCSXVJGCRDSSG-WGOQTCKBSA-N 506.609 5.806 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100143165 IHPMKCLHUIDFTO-UHFFFAOYSA-N 546.693 5.365 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100147101 AALCIOJKAVGCBT-UHFFFAOYSA-N 532.666 5.156 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232644 XSBBHHOBPWYDFC-KEBDBYFISA-N 574.302 7.896 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2ccc(I)cc2)cs1 101033984 SCERWZLXQVITPC-GZTJUZNOSA-N 524.339 6.437 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241265 SSFCWROUKKPNGX-IEQIIXMPSA-N 552.483 6.135 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246136 HZOIOBYFRBYANJ-HEQFHQOESA-N 538.456 6.375 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)c1 101314672 QJQOALBXOWOWKH-SANMLTNESA-N 557.400 6.506 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101333841 UCERRNDMSIJRQO-RWPZCVJISA-N 597.502 7.426 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 101339497 DRKAROVFFKRYBU-RDRPBHBLSA-N 591.111 7.473 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 101372353 IADKOBYBYGNQET-JGCGQSQUSA-N 556.659 6.419 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21 101378187 UBWXFPLRUMWGHH-AREMUKBSSA-N 533.422 6.455 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383225 NFTCTSLXXADDCS-IFQLAXCMSA-N 534.999 6.756 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383350 HHKHCIXRVCHXQE-UUWRZZSWSA-N 573.048 7.438 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)c1 101386994 WOVPLVLSTFGXSQ-SSEXGKCCSA-N 552.558 5.859 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388723 RLPPHZGBMDMPLU-RIPCNWKXSA-N 625.121 7.471 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389859 LKBPJGKAZUXKID-JGCGQSQUSA-N 601.486 7.337 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)cc1Cl 101392215 MIRRGKAUCIRXRV-VWLOTQADSA-N 555.414 6.237 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1Cl 101393662 UVTDLPTVZJTGQH-HSZRJFAPSA-N 541.785 5.557 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccccc5Cl)c(C)c43)coc2c1 101620400 JPGGHHUIMWUKTK-NJZRLIGZSA-N 547.011 5.079 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 102933091 GXANGNNXNFHXAW-BOPFTXTBSA-N 526.332 6.065 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccc(Cl)cc1 102935115 LYXWZUNUCQBXJC-WQRHYEAKSA-N 535.349 7.536 50 10 KKGE COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1 103081798 WILCZCMGHLBOOA-ZPGLZQIYSA-N 523.633 5.875 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccccc3O)cc2)c2ccc(C)cc2)cc1Br 103749406 HCPNKFXJIFDFMI-RUMWWMSVSA-N 622.541 6.021 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 104424659 KSSGKJORRRZRAE-UHFFFAOYSA-N 545.112 5.779 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105057227 GTUBGBIRUDYGFA-MHDJOFBISA-N 612.307 7.626 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 117316370 BASYOZBODPOKTC-NWDGAFQWSA-N 519.897 6.695 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)cc1 163795832 VPASNZHAWJYMEH-ODNPBWNPSA-N 677.824 8.974 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 164721228 ZNVYBWYDJFEIHP-QRVIBDJDSA-N 623.288 7.640 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=O)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]12 203913072 YWYUPQAVHUSVGI-AQYYVMACSA-N 546.868 9.109 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1C 205776486 ALULGSLHDFFBOY-LXXHRJRASA-N 646.769 5.943 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](C)C2 209405957 CNGIGQZITHFZBL-OSEFQUDUSA-N 500.620 6.174 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 214374115 TVAQZCYUTCDSGP-JLPGSUDCSA-N 532.637 5.362 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)c(C)c3)C2=O)cc1 214392705 XZTVMEBQVVLFAP-QRQIAZFYSA-N 544.611 5.657 50 10 KKGE Fc1ccc([C@H](Br)c2cc(F)c(Br)cc2F)c(I)c1 236246882 OTLGCYSSTXWTCX-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE COc1ccc(CC(=O)Nc2ccccc2C(=O)NN=Cc2ccc(OC)c(CSc3nnc(C)s3)c2)cc1 254376128 OOQDCELLVTUNMY-UHFFFAOYSA-N 561.689 5.101 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3cccc4ccccc34)cc2OCC)cc1 254479207 BDCOMYYGPPTLAC-UHFFFAOYSA-N 512.562 5.386 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccccc1 254480298 KTPBXTMTHJXVMQ-NRFANRHFSA-N 506.635 5.664 50 10 KKGE C=CCc1cccc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)c1O 254757843 FZJAMPIZVVBNLZ-UHFFFAOYSA-N 544.702 5.311 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 254771467 XAUTVEHQUBNSNJ-UHFFFAOYSA-N 502.195 6.862 50 10 KKGE COc1ccc(CO[C@@H]2[C@@H](OC)O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](O)[C@@H]2OCc2ccccc2)cc1 575449024 GTDUTIKSKCRUOQ-NCCXDUJKSA-N 642.865 5.475 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 616590421 RALYOFHHSKCHRY-VYHKQFQCSA-N 662.852 7.227 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Nc2ccccc21 616691509 CHWVCLLYOPFVOP-SANMLTNESA-N 512.887 8.203 50 10 KKGE Cc1sc([C@H](Br)c2scc(Br)c2Br)c(C)c1Br 724939932 CSZRNGKSOBFSRH-VIFPVBQESA-N 523.935 7.198 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)c3ccccc3)o2)cc1 725387688 LJPSHPWUMIQZJB-UHFFFAOYSA-N 559.644 5.086 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)cc1C 1083930342 OEYORONACVTLFE-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084165128 VSPAVFNGISIWTJ-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Br)cc1 1084226162 MICAZBDCURSZIV-LGUFXXKBSA-N 572.503 6.021 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2F)cc1 1084267581 FKDQKCNSGYDYMG-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cccc5ccccc45)cc3[N+](=O)[O-])sc2c1 1084487122 KCWCMSAMHSSTJY-UHFFFAOYSA-N 617.712 7.834 50 10 KKGE CN(C(=O)c1ccc(F)cc1)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088669455 HZHJAERGQHLTEE-NRFANRHFSA-N 518.442 5.086 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1cccc2ccccc12 1613964069 UOPXKJKCNAPMAR-FLUMMFQISA-N 534.656 7.009 50 10 KKGE COc1cc(C=NNC(=O)CCCNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccccc1Br 1772719686 MDSVYLMKRJLIBE-UHFFFAOYSA-N 617.294 5.100 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747932 HAMLAUFKQMTPNZ-UHFFFAOYSA-N 529.596 6.344 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749238 YLNOEFJBFZCRTD-UHFFFAOYSA-N 539.591 6.970 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865689467 ACVJSTQEUDYJLS-SANMLTNESA-N 527.024 6.598 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865689598 UCVOBRAVMBOTJP-FQEVSTJZSA-N 536.913 5.758 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865690948 FRDUHKMBFUWGOS-IBGZPJMESA-N 579.373 5.678 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)cc1 1865693914 RXGPUCDISBBQCA-DEOSSOPVSA-N 528.996 5.827 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1c(Cl)cccc1Cl 1865703035 LHTXMYUPERGRGS-NDEPHWFRSA-N 579.459 6.882 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1C 1865703457 VXBFUQUZKLRZFR-LJAQVGFWSA-N 524.596 5.883 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)C[C@@H](c2ccc(F)cc2)c2cccc(F)c2)c2ccccc2)cc1 1866783690 ZJCFOJSAQBBGQO-YTMVLYRLSA-N 527.596 6.556 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@H](Cc4ccc(F)cc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866872912 OGJAXMQBJUBZHY-HHHXNRCGSA-N 550.615 6.495 50 10 KKGE CSCC[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)Nc1ccc(SC#N)cc1 1867007283 HWVAGQQTJNJDEK-DHIUTWEWSA-N 502.105 6.064 50 10 KKGE COc1ccccc1CCCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)CC1 1868208234 WSLDGHQNXFEIIZ-UHFFFAOYSA-N 550.732 6.148 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)c1 1868364933 IOJGQLXZFVUBLR-YTTGMZPUSA-N 541.680 7.621 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@@H]1C 1868414365 LQEZMMKIULVNET-OALUTQOASA-N 509.079 5.659 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2c[nH]c3ccccc23)cs1 1872753194 LIJUVWLOGUNIDC-PGMHBOJBSA-N 514.832 7.359 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 1872757249 WXSAEDMTCQGNFL-PYCFMQQDSA-N 512.975 5.475 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)CC2=O)cc1 1872758739 OGWUFOBCNUZNSP-ZZNYDNHMSA-N 508.043 6.660 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1sccc1I 1899860006 MCCPNFCEPJQACV-QGZVFWFLSA-N 519.629 7.022 50 10 KKGE O=C(c1cc(Cl)ccc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311902 IDEQRGYHSXUCTB-SFHVURJKSA-N 518.620 5.761 50 10 KKGE CCO[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492484 LZUNAWDFNFXGCL-RFSVNVOPSA-N 526.288 6.442 50 10 KKGE FC(F)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495027 OVYAUDBSLKKPNZ-BEYFKIBESA-N 532.242 6.918 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2136377800 SJULTJWTKCENTJ-LBPRGKRZSA-N 552.351 7.790 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2nn(C)c(Br)c2C)c1Br 2138869787 CVRKUEPTYRRJFC-NSHDSACASA-N 515.869 5.809 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2141468152 HAHWYMSFWHRWBK-UFBFGSQYSA-N 582.750 6.742 50 10 KKGE C[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCO1 2141468315 IZXZOULWKUCCAV-BOCOKBRWSA-N 540.315 6.832 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(I)c1 2201617192 DBXWLAHWSIVSRX-LLVKDONJSA-N 540.342 6.609 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1Cl 2206398574 WKCBDSVXKPLIFX-VIFPVBQESA-N 635.601 7.214 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1Cc1cnn(Cc2ccccc2)c1 2234060450 XSBAKJULDOEONB-CYBMUJFWSA-N 508.645 6.154 50 10 KKGE Fc1cc(F)c([C@H](Br)Cc2ccccc2I)c(F)c1Br 2236107951 IDIBRMOAGJUXOC-MRVPVSSYSA-N 519.924 6.150 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1C 2236840954 CLTFAGLKHFMPNT-CYBMUJFWSA-N 610.829 8.208 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(C)ccc2I)cc1Br 2240994820 CPPNRBDVJHDCBO-INIZCTEOSA-N 510.007 6.245 50 10 KKGE CC(C)(C)OC(=O)N1CCN(CCCCCCCBr)CCN(C(=O)OC(C)(C)C)CC1 2252609754 HPQVBXOPMCGFJA-UHFFFAOYSA-N 506.526 5.122 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2c(F)cccc2I)c1Br 2255901668 NGWSUGCASAHECL-JTQLQIEISA-N 524.418 6.653 50 10 KKGE CCc1cc([C@H](Br)c2ccc(Cl)c(I)c2)sc1Br 2256331367 LQGDPNVHKXATHM-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE Cc1sc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2277892298 QRXFIBSJVFHOFZ-LBPRGKRZSA-N 531.933 7.331 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2279055673 DCPWMTVFCOSMHZ-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1Cl 2283575298 UYNIVMUOYNCWHE-CQSZACIVSA-N 506.392 6.744 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)cc(Br)c1 2288343909 CYFHJEQRRKWCDT-LLVKDONJSA-N 598.699 7.499 50 10 KKGE CC(C)NC(=O)C(C#N)=Cc1cc(Br)c(OCc2ccccc2C#N)c(Br)c1 2294171853 DBUPZSBDKJKGCB-UHFFFAOYSA-N 503.194 5.094 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619895 ITDLIMFMKIFKHD-UHFFFAOYSA-N 523.641 8.061 50 10 KKGE C[C@@H]1CCc2c(sc(NC(=O)C(C#N)=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c2C(N)=O)C1 2296500372 MIXDNBVPUFKCTR-GFCCVEGCSA-N 510.959 5.339 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OC(=O)c1ccc(Cl)cc1 2297491207 ZMPIPMVUTMJQLJ-UHFFFAOYSA-N 507.886 5.117 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521360 IXVNTEASDSNYJV-UHFFFAOYSA-N 583.382 5.400 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1 2313676788 GXMPFVUZSZEQFW-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1I 2314453458 WWWKRRXNIWCLTB-LJQANCHMSA-N 576.041 7.256 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C(C#N)=Cc1ccc(C(C)C)cc1 2314737240 TYCWOASLSJVBDI-UHFFFAOYSA-N 505.574 5.555 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)c(OCC)c1 2331386475 CQSSEIKOKYWMRC-UHFFFAOYSA-N 505.640 6.128 50 10 KKGE Fc1ccc(Cl)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362256274 VDYKMXAAAAPXPY-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Br)cc1Br 2365189832 YWVMJYKIEBGJCJ-ZDUSSCGKSA-N 550.285 7.512 50 10 KKGE BrC[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(I)c(Br)c1 2377319450 XYWUETXOMNPJKU-WWGRRREGSA-N 513.055 5.582 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14650776 LRFZCJJTMOXTQP-UHFFFAOYSA-N 524.415 5.201 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC)c(OCC)c2)cc1 38679249 LEXAMWHEOYHJOZ-NDEPHWFRSA-N 512.562 5.486 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 38700585 BXIRULVCHHYMPY-FQEVSTJZSA-N 511.361 6.785 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 38701380 SGBSAPBZBYUAIX-QHCPKHFHSA-N 511.361 5.838 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811794 JMDQJHNYIRZMMX-SGWCAAJKSA-N 506.400 5.019 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)ccc1OCc1ccccc1 48573000 COYDAOPNWZETND-FDAWAROLSA-N 500.982 6.271 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 58893883 QOYQEXRRWSGAFN-PCYMAAINSA-N 519.400 6.074 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 59292029 MJDOZUUWSJWFIU-UYRXBGFRSA-N 511.803 6.626 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 59427557 TVWMCBUUFQGIGD-UZWMFBFFSA-N 520.976 7.137 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(C#N)/C(O)=N/c2ccccc2Cl)cc1C 97968739 KEBFYLHKGYTIAY-MAIZJUNESA-N 556.902 7.978 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 100174837 BFBYPUCJWOFISD-UHFFFAOYSA-N 558.432 5.517 50 10 KKGE CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100257536 WVUSEEIPMVQNMS-CQSZACIVSA-N 550.247 5.382 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 101013792 AXOBYQYLEXRBCY-COCMXYBASA-N 611.724 5.282 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244244 DPORNIZGLHNIBH-WWTUHYLUSA-N 550.511 6.914 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336195 DIOBABSVBHDQDJ-OVVQPSECSA-N 540.689 6.059 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101338866 LBKHCVWVNROCGA-RDRPBHBLSA-N 534.660 6.499 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4)cc3)C2=O)cc1 101339953 RPDZLYGQDQNFRP-KEIPNQJHSA-N 606.682 6.919 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1 101367500 FAPZDABHOXOIJP-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1 101376186 OFPNFUXOODDHEU-JPZYQRIQSA-N 540.660 6.826 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380362 GJMCVXNACVSDMU-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383520 WFFADMHZBLYUGG-HKBQPEDESA-N 553.014 6.294 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385408 AMVIPNJOVNXKQW-UUWRZZSWSA-N 576.649 6.402 50 10 KKGE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NNC(=O)c1cc(OCC)c(OCC)c(OCC)c1 101615766 RCHXBSVHIDSVPW-JJIBRWJFSA-N 551.669 5.204 50 10 KKGE CCN(CC)c1ccc(/N=C(\C#N)C(=C(C#N)C#N)N(C(=O)OCC(C)C)C(=O)OCC(C)C)c(NC(C)=O)c1 103447491 FTTZHAZWDBXORA-INKHBPHZSA-N 549.632 5.276 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1 103451253 PVXLSOGRYCEGPP-CEUNXORHSA-N 544.676 8.431 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1Cl 103796739 RCDAOXXLZDBSBT-HPNXWYHWSA-N 564.085 7.848 50 10 KKGE O=C(O)c1ccc(COc2c(Br)cc(/C=N/NC(=O)c3cc4ccccc4o3)cc2Br)cc1 103797215 MHRLXNVMUZJVBH-KKMKTNMSSA-N 572.209 5.999 50 10 KKGE Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c3ccccc32)cc1 103881104 CTSILZDIGBCIOF-SEBMTOOBSA-N 565.677 7.118 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 150388311 FBBOZTSTFANJMD-UHFFFAOYSA-N 664.203 5.932 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433793 RZXMUBCFZADIKI-XIFFEERXSA-N 655.534 8.772 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150469808 IXCZMWBSKMFCMS-HXUWFJFHSA-N 628.723 7.945 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3[N+](=O)[O-])sc2c1)c1ccccc1C(=O)N1CCOCC1 164014206 FOAHRNPYPZSVNE-FABQOPTDSA-N 756.735 5.661 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1F 164637716 YRKYFBAUFJRYQO-ZSNJKBEMSA-N 659.499 7.548 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@H](CC)C2 209400017 JZOMXZOZWWSRNF-IYWFSZBXSA-N 519.579 6.154 50 10 KKGE COc1cc(/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCC(=O)Nc1ccccc1 212011726 IZQGSLQOUDTWIQ-KQWNVCNZSA-N 517.610 7.054 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214314789 MHPFBXJGOGFTAM-OYKKKHCWSA-N 549.543 5.232 50 10 KKGE COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 245297181 POIMRNZXDNXRME-JYTHNSPOSA-N 563.890 7.727 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)cc1 254385218 HWNFTNBTNLPMLI-QRUOJDFXSA-N 533.713 6.573 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3cccc(C(F)(F)F)c3)cc2)Cc2cccnc2)cc1 254484415 OLMPQDBQNJAOIW-UHFFFAOYSA-N 596.631 5.654 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254491378 JYLPSBVDGVNAIO-XQADAOGFSA-N 621.650 5.200 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nc4sc5c(c4c(=O)n3-c3ccc(C)cc3)CCCC5)ccc21 254703775 OUJSXKUMUSGEOG-UHFFFAOYSA-N 605.789 7.005 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cccc2ccccc12 254877374 JEJKJTQRXCTEEI-FQEVSTJZSA-N 541.080 6.317 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024840 HJVZUVSIRAKMNI-VCBPKMNRSA-N 784.887 14.392 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 263629954 YQSGSZQPLAZWQV-UHFFFAOYSA-N 620.481 6.556 50 10 KKGE Cc1cc(C)c([C@H](Br)c2ccc(F)cc2I)c(C)c1Br 380469724 SYDQHSGGSXSVEE-MRXNPFEDSA-N 511.998 6.602 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(Br)c2F)C1 382685630 IKEUXNQKENSYHX-ZBFHGGJFSA-N 518.164 5.375 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@@H](Cl)C23CCCCC3)c(I)c1 394316000 ATZXWWULSDJPOI-CHWSQXEVSA-N 537.006 6.258 50 10 KKGE C#Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1O 575150572 ANLDABSHUZQHBF-OMRXSTERSA-N 885.084 8.905 50 10 KKGE in-vitro O=C(OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 616586723 RITGYQZMPNVVEG-JQWMYKLHSA-N 637.666 5.348 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CCc2ccccc2N1CCO[Si](C)(C)C(C)(C)C 616667810 DUEUHUYEMSKFRT-GDLZYMKVSA-N 525.926 8.767 50 10 KKGE C[C@H](Cl)c1nc2ccc(F)c(Br)c2n1CCCN(Cc1ccccc1)Cc1ccccc1 689778377 KDNPPLWKMPVNDU-IBGZPJMESA-N 514.870 7.330 50 10 KKGE ClCc1nc2cc(Cl)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705611317 RHQVVEAWRDQFAC-UHFFFAOYSA-N 500.857 6.553 50 10 KKGE Cc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Br 721617217 WLJUUIIHCAGQAE-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 725397541 VPLPHCSKBPHCSM-VWLOTQADSA-N 551.437 5.419 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1083892739 ISWKQVMKOICSJJ-RUZDIDTESA-N 501.410 5.935 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1ccc(Cl)cc1 1084122615 BMQKTLHIEJPGDD-UHFFFAOYSA-N 616.624 5.892 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 1084136180 KQLDNZUZROFYGX-XQNSMLJCSA-N 536.459 6.227 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084148436 ARNAAUPADQNLNX-UHFFFAOYSA-N 544.073 5.263 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 1084191779 OBSUBTRYXDSGPM-VWLOTQADSA-N 556.015 5.589 50 10 KKGE C=CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084209049 HMRMCKHVIOHXES-UHFFFAOYSA-N 514.423 6.544 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084327624 AXAJEBXZTXWZKC-UHFFFAOYSA-N 587.095 6.870 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1084535551 WPHLKXGFAUFBPP-UHFFFAOYSA-N 677.076 6.169 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1084556061 YZXDOYCZFOFLNR-UHFFFAOYSA-N 603.959 6.784 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748994 FYLRFWRVZLFJHP-UHFFFAOYSA-N 544.391 5.154 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694965 GVNJEXXGUPQDCR-MHZLTWQESA-N 561.469 6.856 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865695507 DKXMQYVEQMRMTM-RUZDIDTESA-N 507.034 5.943 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695738 SCTWWJMAPSIYLT-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCCCc1ccccc1 1865697436 SJMFOXSHDXFXOV-AREMUKBSSA-N 560.576 6.189 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698133 LHNWEKGTGPIZCE-SANMLTNESA-N 573.491 6.754 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701324 SJCPCSKXQOBPPQ-GDLZYMKVSA-N 553.449 7.438 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703219 QGNIOWIWMWAMKN-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCCn1nc(CC)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 1865704494 XEFXKZSNFYATDJ-HSZRJFAPSA-N 513.425 5.968 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1cccc(OCc2ccccc2)c1 1865711633 DFBAFUWFCHMGPE-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Cc4ccc(C(C)(C)C)cc4)CC3)n2)cc1 1868321286 YISCFRTUGWGPRC-UHFFFAOYSA-N 547.772 8.525 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868433881 TXQRFTYHOYUYIG-UHFFFAOYSA-N 557.123 6.487 50 10 KKGE COc1ccc(OC/C(O)=C(\C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)c(C(C)(C)C)c1 1872754281 LEFMMDSNWNCXPR-FXBPSFAMSA-N 519.450 7.303 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc(Cl)s2)cs1 1872758228 QNAUTJFLLMTNEM-OWBHPGMISA-N 506.790 5.376 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2F)c1Br 1922898078 SCSOXXBERXRXJW-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1sc(Br)cc1Br 1922937310 AYAGFPLRXXDNFP-SECBINFHSA-N 507.842 6.659 50 10 KKGE Fc1cccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c1I 1923060407 CHDSEVMLULCBMK-ZETCQYMHSA-N 589.287 7.155 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc(I)cc2)c1Br 1924585323 KJQPQCJFBYXQIZ-QMMMGPOBSA-N 615.748 7.125 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596523 PTHCMIAUBLXDJX-QMMMGPOBSA-N 647.644 8.045 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c1C 2039504581 MPYFONZIIOPXJN-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE COc1cc(C)c([C@H](Br)c2sccc2I)cc1Br 2078003077 IIGZEZPOBBSNNN-LBPRGKRZSA-N 502.009 5.917 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1ccc(Br)cc1Br 2083329317 BZZGSBSDTDOBRR-CYBMUJFWSA-N 518.268 7.065 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@H]2CC23CC3)c1Br 2086421734 PBJHHHVITFUFBN-NKWVEPMBSA-N 566.751 7.363 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2C[C@H]3CC[C@H]2O3)c1Br 2141469176 SHQYFAOPZQJDCW-JUQFDLSGSA-N 582.750 6.740 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cccc(Br)c3Br)c1)OCC2 2148750628 MNZWGBUWIXEZQD-CYBMUJFWSA-N 525.860 6.393 50 10 KKGE Cc1cc(Br)sc1CN(C)c1c(CBr)ccc(Br)c1Cl 2156991037 MIJYICSHPJOFCG-UHFFFAOYSA-N 502.497 6.766 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1 2173213190 VKYJOMQSTVAUOX-QMMMGPOBSA-N 519.446 7.875 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H]1C(F)(F)F 2206394111 DXCIDFQASNJJBS-CYUDJLOBSA-N 608.710 7.761 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cscc2Br)c(Cl)c1Cl 2217610945 NZRXSNCEZXPWBS-SECBINFHSA-N 514.291 7.718 50 10 KKGE COc1cccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2230060100 ZTPOYUJOOYDEMJ-VIFPVBQESA-N 533.905 6.723 50 10 KKGE C[C@@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234072875 IUCONCVCGPCUBE-AUUYWEPGSA-N 511.689 6.383 50 10 KKGE COc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Cl 2268274683 FDFJSGJQBQLVDB-JTQLQIEISA-N 509.872 7.026 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(I)ccc1Br 2279056611 PTXVKVZIFZLTFC-CQSZACIVSA-N 550.843 6.853 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)ccc1Cl 2288494180 CJRYCSORPWPIBM-NSHDSACASA-N 509.797 7.281 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCn2ccnc2)cc1Cl 2296545436 QHTHGZXZKUIGGT-UHFFFAOYSA-N 529.044 5.682 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCCCC1 2296730229 KLXIZHGSUHWWJY-UHFFFAOYSA-N 523.036 6.691 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccc(C=C(C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 2297534096 XWXZTENHAMDFTA-UHFFFAOYSA-N 648.490 7.850 50 10 KKGE Cc1c([C@@H](Br)c2sc(Cl)cc2I)nn(C)c1Br 2301089446 SMBXSLBAXHLRLK-SSDOTTSWSA-N 510.420 5.295 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313568669 XTDZSTDTJJIYPO-UHFFFAOYSA-N 502.412 5.284 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2313570622 BIDIMFJIPPJJDV-UHFFFAOYSA-N 552.255 8.034 50 10 KKGE Clc1cccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314449289 OWXHJXFAHWAWTQ-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591763 DJHIHAQAUCWYPE-DEOSSOPVSA-N 548.462 5.831 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594043 YBDBRYCWRSIXNR-SIBVEZHUSA-N 564.538 7.420 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314616865 LKRPGWFWKXQJCK-UHFFFAOYSA-N 544.611 5.739 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314620125 KBSNKYWIQNUZNX-UHFFFAOYSA-N 577.572 5.778 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccc(Cl)cc1 2314753965 HIQGTCLFVAGWSQ-UHFFFAOYSA-N 569.013 6.363 50 10 KKGE N#CC(=Cc1cccc(Br)c1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329690301 REUKMALUSGGDJL-SANMLTNESA-N 561.432 5.108 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)ccc1F 2331320658 RMKQRRLPZYYLAH-UHFFFAOYSA-N 507.812 7.325 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)CC1=O 2331362132 ABOQNQLCYGNUFO-NRFANRHFSA-N 501.652 6.406 50 10 KKGE Cc1scc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2343567298 WQZQPFMKXFOWGM-JTQLQIEISA-N 661.671 8.353 50 10 KKGE ClC[C@H](Cc1ccc(I)c(Br)c1)c1ccccc1Br 2349843785 YTEYNENACFYHGJ-NSHDSACASA-N 514.426 6.381 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361167283 AZZIZUCHSHKIDP-HSZRJFAPSA-N 508.681 8.242 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362254727 NCTLMKFTPSTYCZ-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCCCC12CCC2 2377338635 YCPMGELBPXXSEZ-KRWDZBQOSA-N 512.067 6.722 50 10 KKGE Clc1cccc([C@@H](CI)OCc2cc(I)ccc2Cl)c1 2380346007 ICSGRAUZRDJZOL-OAHLLOKOSA-N 532.974 6.291 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cnn(C)c1I 2380946711 JSNSBWAVTSMCGU-CQSZACIVSA-N 512.027 5.703 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14040262 AKZHGKGVAZRHDQ-HXUWFJFHSA-N 501.627 5.588 50 10 KKGE CCc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816299 IQSZTHJYAMZQPN-TWKHWXDSSA-N 514.409 5.945 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2I)c1 100145745 YSLPSUWNTPERMT-PLIDZJGOSA-N 607.286 5.905 50 10 KKGE CCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100183975 YSTPQQPQBPTJKX-UHFFFAOYSA-N 542.268 5.138 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(OC)c(OCc3ccc(Cl)cc3Cl)cc2Br)cc1 100233378 CNEONJHGJHXBFM-ULFANGQISA-N 610.332 6.706 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101033960 AGLRHYQTKQCLCP-MHWRWJLKSA-N 546.358 6.911 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101336621 MHPFBXJGOGFTAM-ZVHZXABRSA-N 549.543 5.232 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101338155 XCOXOSMYUQGDDR-STKMKYKTSA-N 625.128 7.607 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 101339168 MCIKPHKTTQLZEZ-OVVQPSECSA-N 589.608 5.300 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccco1 101366025 SQEYMRUUAGHFCT-OAHLLOKOSA-N 560.604 6.749 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCC(C)C 101374330 BPRBKJRFGWGUQK-JGCGQSQUSA-N 534.612 6.249 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101375043 XSBLEYCGNWBLTD-YTTGMZPUSA-N 570.686 7.126 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378606 GTBLSTXKOQVHTH-VBLVNKQRSA-N 544.607 6.420 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)C)cc5)ccc43)c2)cc1 101382406 XBZURWZVOROWIH-UUWRZZSWSA-N 560.650 6.900 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384353 QTRXXLBKSAQLNU-YTTGMZPUSA-N 542.566 6.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1 101386318 AVSPSLREBYWULP-MGBGTMOVSA-N 589.047 7.518 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 101652296 LKPNLFBMWLTRJQ-BTUGVJQXSA-N 528.992 6.029 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1OC 101702168 AOHRGAHBSGATDB-JJIBRWJFSA-N 572.658 6.336 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1Cl 101727143 UKQAWUZYMDVVRH-AMVVHIIESA-N 616.990 7.446 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccc(Cl)cc1 101729662 HIQGTCLFVAGWSQ-MRAVGAFBSA-N 569.013 6.363 50 10 KKGE CCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 103649716 VWFGATNEHPXURB-JWGURIENSA-N 538.511 7.391 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1)c1cc2ccccc2o1 103797378 DFECDWPZCNZTMI-KKMKTNMSSA-N 562.645 6.954 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1ccccc1O 103806316 HFZDLVVINLEVMQ-FJEPWZHXSA-N 604.069 6.731 50 10 KKGE O=C(N/C(=C(/Cl)c1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 108506323 CYLSZPQDLIWRCV-FPODKLOTSA-O 553.449 7.629 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1csc(I)c1 127774144 LECNEXPWIPXAGX-LLVKDONJSA-N 510.391 6.392 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 128234036 CHCVPPUZXRPEAV-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485160 SPIBIUJMZBCGMK-QFOZFFOASA-N 655.578 8.715 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 150507680 JOUQDXKESRIWJI-AJBULDERSA-N 635.746 5.371 50 10 KKGE O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc(SSc2ccc(N3C(=O)c4ccc(-c5nc6ccccc6c(=O)o5)cc4C3=O)cc2)cc1 163964590 OTCFPESHSFYZCD-UHFFFAOYSA-N 798.814 8.424 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 198740130 VQLXZAIIQMUYJR-JWHWKPFMSA-N 543.756 7.115 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 205782419 WUBRIWHHOBXJNH-SZOXOVSESA-N 714.775 6.183 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 206303993 NJEDMQLLXJBCNZ-YQQIJQLDSA-N 527.573 5.680 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)c(C)c3)C2=O)cc1 214400865 QYPCCAFSOFZHGU-GTWSWNCMSA-N 586.692 6.479 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214433838 CGPGHZDOVHKPSZ-COEJQBHMSA-N 610.711 5.445 50 10 KKGE CC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 252604148 FXFPEOOWHLDTFL-UHFFFAOYSA-N 515.353 5.382 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 254509983 RQMQUUIFVADFNJ-UHFFFAOYSA-N 594.303 7.134 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nc3sc4c(c3c2=O)CCCC4)cc1 254714743 ZDKGLDBKCDOLBZ-UHFFFAOYSA-N 594.762 6.456 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 256019419 QGKIGFYYEOGTJL-KHBMNMBPSA-N 597.741 5.351 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024838 HJVZUVSIRAKMNI-FXRANDDMSA-N 784.887 14.392 50 10 KKGE BrCC(CBr)(Cc1coc(Br)c1)c1cccc(Br)c1 380843106 YPDPGIAGKULPKJ-UHFFFAOYSA-N 515.865 6.075 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)cc(Br)c2)[C@@H](CBr)C1 382711716 HNEZEEHPFREAGQ-MAUKXSAKSA-N 532.070 5.959 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616588717 MHNHIGWCUNOEFZ-LNALEXQMSA-N 578.822 7.136 50 10 KKGE CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@H]1c1cccc(CCO[Si](C)(C)C(C)(C)C)c1 616594490 IZQWVVHXCAAAOZ-MHZLTWQESA-N 510.795 7.270 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1ccccc1Cl 1084028637 PUKIVLJZOPMTJK-UHFFFAOYSA-N 500.805 6.170 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1F 1084118452 OKSGUMFMAKJEQP-DEDYPNTBSA-N 511.380 6.994 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N 1084203410 GJIPUUJIHQGEGC-UHFFFAOYSA-N 540.623 6.676 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc(-n5c(-c6ccccc6)ccc5-c5ccccc5)cc4)c3C)sc3c2CCCC3)cc1 1084430096 KFJFKIXNDIZWPC-UHFFFAOYSA-N 727.934 10.484 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084449447 RVDQXHMUTTZILS-UHFFFAOYSA-N 573.197 6.209 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccccc2F)c(I)c1 1084469388 SBRGLFUOZMULLA-JOCHJYFZSA-N 658.249 5.578 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4C(F)(F)F)c3C)cc2)c2cccc(Cl)c2)cc1 1084493518 JQCJKKYKWNWXEW-UHFFFAOYSA-N 679.164 8.234 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 1084564129 IJLONXRACLQIRV-MUUNZHRXSA-N 561.476 6.544 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084583749 OFWINXXYYFAOPC-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084606635 DMAVOQKGZVIYTK-HHHXNRCGSA-N 620.371 7.426 50 10 KKGE C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@H]1[C@H]2C[C@@H](O)[C@]2(C)[C@@H]1CC[C@]2(C)CCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 1615950355 UVXRBEYIDJOLOR-FMHPMADJSA-N 581.581 5.281 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc(Br)c1OC 1772753698 CTPIVLPJEPGTQU-UHFFFAOYSA-N 528.241 5.055 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865688030 GYFDGNKSNYQVQR-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865690135 JLRICIYPRKFNET-QHCPKHFHSA-N 510.560 6.354 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OC(C)C 1865695930 AROYVENXJWWZFH-HXUWFJFHSA-N 502.468 5.103 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865702848 GMHALBLFGSGQQV-IBGZPJMESA-N 523.342 6.264 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703148 OCLBIZWOXHBMDQ-MUUNZHRXSA-N 579.459 6.882 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704502 XMAJHJSCQWBHBC-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705173 NZHMUEWSMPLINL-LJAQVGFWSA-N 526.596 6.415 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706292 SKSSHQIWHBQTQO-NRFANRHFSA-N 504.333 5.972 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865706941 JJROWKHJUDNQTQ-WJOKGBTCSA-N 555.657 6.982 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1cccc(OCc2ccccc2)c1 1865711893 KVZGRIXSPRHPHP-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867093725 CROKUPSHYVLKHN-VWLOTQADSA-N 549.628 5.599 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(Cl)c2)n1 1868300832 IXVQFLLMVPWHOO-JGCGQSQUSA-N 560.126 8.574 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1868388275 HOQSWJMEDKKSRH-NRFANRHFSA-N 510.461 6.086 50 10 KKGE CC(C)c1ccc2c(c1)[C@@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)CC2 1868456493 QATQBCGWDSDVOO-UUWRZZSWSA-N 571.725 8.875 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3OC)n2)cc1OCCC 1872817908 CQCXWPGJTOEELT-KQWNVCNZSA-N 519.450 7.653 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 1910540994 CNZKAWSULQMYFN-LKEWCRSYSA-N 507.911 6.908 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2c(c1)OCCO2 1923072649 QOJYKCLJWCCDQT-SNVBAGLBSA-N 503.437 6.182 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cccc3ccsc23)c1Br 1924605584 TYIXEQLOIUBGDB-VIFPVBQESA-N 545.941 7.735 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1924614581 PLUFDBJZSANFJX-PSOOGQHYSA-N 521.894 5.895 50 10 KKGE CC1(C)CO[C@@H](C[C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615081 WEWUNMAXOLERNL-BQBZGAKWSA-N 525.926 6.677 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 1945322510 MNFJHRUQNAAQFT-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cc(Cl)cc(Cl)c2)C1 2077242672 LIXXYBQYUYTZEL-SFHVURJKSA-N 500.204 5.715 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2F)ccc1I 2142119089 PHXSKHGUHVQPAQ-CQSZACIVSA-N 518.389 6.639 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1cc(I)cc2c1OCC2 2169668997 WLQXWQCYJKRDDW-AWEZNQCLSA-N 558.954 5.454 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2ccc(Br)cc2F)c1Br 2201069528 KNDHVQUBYQNVKU-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC(C3CCC3)C2)c1Br 2206397531 KEPIUIUWVWEIIR-RPTIHFLNSA-N 594.805 7.999 50 10 KKGE Cn1cc([C@H](Br)c2cc(Br)c(Br)cc2F)nc1Br 2218598205 REGKQMBNEFYLBB-SNVBAGLBSA-N 505.805 5.331 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238071727 PZYGUDXTPMMJQQ-OAHLLOKOSA-N 511.954 5.612 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)c(Br)s1 2263449739 CVKXYTRHCPOLBN-JTQLQIEISA-N 538.324 7.321 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268283834 JHMQSORWKGZJHX-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2Cl)cc1I 2269544351 OBPNLSACMVYJCP-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Br)cc1 2293198426 OCCIUYDZUSTTNG-QFIPXVFZSA-N 583.851 6.076 50 10 KKGE CCOc1ccccc1C=NNC(=O)C(=Cc1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1Cl 2293299438 FMMSCSFTROIMHR-UHFFFAOYSA-N 519.045 5.506 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C=C(C#N)c4nc5ccccc5s4)cc3)cc2)C1 2297476807 JZHXFMAWMIPFBY-NHCUHLMSSA-N 557.697 6.246 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299505364 WGXNHRCZBYJEND-QGZVFWFLSA-N 532.095 7.040 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1sc(Cl)cc1I 2300952955 CQDFUXKPHTYSBP-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 2312063800 DPTTXGXNYMYKQC-IJESPZCISA-N 569.755 6.171 50 10 KKGE N#CC(=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 2313543514 FQYPBGDPQAEZGB-UGKGYDQZSA-N 524.831 6.054 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313556052 KKAADNLCCQPLBC-UHFFFAOYSA-N 575.419 5.692 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568524 WLGGDAXPEWBADK-UHFFFAOYSA-N 628.308 5.888 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570606 BAAFMPLRDZNVOQ-UHFFFAOYSA-N 606.101 7.515 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 2313570652 BZZAILUPJAUFDI-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc(C)c1 2313570654 CCWAJOPEOZQXPN-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1C#N 2313571466 XBCSSFJTXKBEPL-UHFFFAOYSA-N 532.427 7.117 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 2314490596 ZDSHYUWBAAJPRC-UHFFFAOYSA-N 542.948 7.910 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592099 LUYCFYBAVHRVHY-DEOSSOPVSA-N 504.011 5.804 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 2314616849 LBHNRLUFFZHVEG-UHFFFAOYSA-N 586.648 6.158 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 2314646805 PBWHEGIRXHFEHA-AREMUKBSSA-N 669.557 5.227 50 10 KKGE COC(=O)C(C#N)=Cc1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(OC)c1 2314737060 JOJQQSPLNJSQHY-UHFFFAOYSA-N 539.582 6.027 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)c(C)c3)c2C(=O)OCC)cc1 2314737784 SLTVHRBAHGMPHI-UHFFFAOYSA-N 502.636 6.933 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320488222 GQHQLWGKPQWADF-UHFFFAOYSA-N 599.532 5.339 50 10 KKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)C=Cc3cccc(OCc4ccccc4)c3)n2)cc1 2321097335 YVQLSFVHCZVBNT-UHFFFAOYSA-N 506.587 6.138 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c2ccccc2)cc1 2331242649 XHACBEBETZATJV-UHFFFAOYSA-N 510.615 7.259 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc(OC(=O)OCC)cc3)n2)cc1OCCC 2331293244 MIEMFUDOHFOJPH-UHFFFAOYSA-N 508.596 6.873 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 2331453843 RNUMEGFPNCUMQJ-UHFFFAOYSA-N 507.398 7.489 50 10 KKGE Clc1cc(Cl)cc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336044827 QXNZJAPMWISYHA-FQEVSTJZSA-N 515.072 8.014 50 10 KKGE Fc1cc(Cl)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336054878 VTSCDLHNCPNAHR-IBGZPJMESA-N 502.580 7.444 50 10 KKGE BrCC1(OCc2ccc(I)c(Br)c2)CCCCCC1 2350055713 NOHHJSKYGRLQCI-UHFFFAOYSA-N 502.028 6.058 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(Cl)cc2I)c(Br)c1 2365596819 BOQVWSRHDZNODO-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2365597368 GAQQPSFGRGWKOT-CQSZACIVSA-N 534.388 6.339 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 38650829 CXAKAOZLLWTQMS-DNOBIOAJSA-N 502.542 5.596 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)oc2ccc(Cl)cc12 38687173 BOQMJGHBRHFHSH-SANMLTNESA-N 512.993 7.130 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 38701050 DDJQJSUBKOGFJO-XMMPIXPASA-N 514.990 6.557 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815999 NVNDXDXKWUGSIJ-FDAWAROLSA-N 519.907 5.748 50 10 KKGE O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58914641 WTFJTBVEGBROGX-OXUBWTJQSA-N 504.679 6.014 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 100233657 VZXZNKSAWNIAAK-PEHSQKLVSA-N 600.466 5.698 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1 100235678 CTZUERBQZAHUML-PEHSQKLVSA-N 555.469 5.708 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 100327917 JRYZTBCDWGLYHB-KJTWNORHSA-N 594.449 5.996 50 10 KKGE O=C(CCCN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 101035788 LYEVNEIMZMYNDU-CYVLTUHYSA-N 551.159 5.651 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243661 KTJXZYYYAVCYHX-OXTDFQFTSA-N 552.483 6.306 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 101336152 RUDWZVQZNPCRRE-TURZUDJPSA-N 552.675 6.044 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1C 101336191 NZXPZGWYAAVFDS-OVVQPSECSA-N 538.648 5.654 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101340667 CLRYTWYJIOEOEC-AFUMVMLFSA-N 530.983 6.249 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101360690 MJQGGCSDKZNOPS-FQEVSTJZSA-N 544.476 5.882 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCCCC)c2)cc1 101376329 MQHWNHBYOJQJNM-WJOKGBTCSA-N 540.660 7.262 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 101378244 ZKESIUGABUCWPS-LVPXNJDFSA-N 549.454 7.399 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc(OC)c1OC 101382791 BQHWTYIHCDHIQE-SSEXGKCCSA-N 599.039 6.382 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383706 VJBDURYSIKYDFF-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 101388881 GIEIPUBWNBDUDN-ULJHMMPZSA-N 526.570 5.330 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1Cl 101391327 JVKHMSPCCSRVQF-OAQYLSRUSA-N 546.204 6.202 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 101395240 FTJIGCNZFMSIAC-LJAQVGFWSA-N 538.600 6.675 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)CC1 101398442 ZRRBUJJQVYVAAN-KHZVSIKASA-N 571.117 8.039 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4)c3)oc2c1 101398562 GGRXMSCPFPHWPY-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 101727334 MYFHVEOTGIEXDI-PNQUVVCRSA-N 592.957 7.600 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 102666248 RNMNZEQSKHODIH-ONDMRUQVSA-N 544.463 7.212 50 10 KKGE O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)[C@H](F)Cl)c(Cl)c1Cl 103185436 FIKJMANZVNWJOD-NGFNCXNUSA-N 509.667 5.468 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(F)cc1 103878465 UDYUZFLWTOPYOA-KVSWJAHQSA-N 576.216 6.448 50 10 KKGE COc1cc2ccccc2cc1C(=O)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104990829 KYRAXPFCKHGUBQ-JVCXMKTPSA-N 532.369 5.431 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1Cl 150463315 UQNJPQYQIXGALM-PMERELPUSA-N 637.903 7.680 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150463908 YWBUDWCHIOSEKV-FTWOZMABSA-N 676.795 5.952 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150483238 XSHPPURHIMKYFJ-PMERELPUSA-N 670.376 9.105 50 10 KKGE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 205775471 GEEQCOLORHPYMZ-ZOODIOSSSA-N 588.689 5.073 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C/C=C/C(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 212164821 ASZJPGBXLSDOQM-LOAYWHEDSA-N 655.125 11.108 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)C1=O 214233797 HTFAEPWHGFRDFS-ITYLOYPMSA-N 508.622 6.029 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214398069 ACIPUHJUBFJWOW-YSMPRRRNSA-N 526.564 5.604 50 10 KKGE Cc1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C 231997102 VKGVVNLELOYGNI-UHFFFAOYSA-N 658.806 8.756 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(F)cc1I 234796702 RICQNWIMJGVNAE-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 252586497 QMQCZTCKMNJOIH-UHFFFAOYSA-N 573.403 5.953 50 10 KKGE O=C(NN=Cc1cccn1-c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 252607313 HADFFUQHTACAAA-UHFFFAOYSA-N 530.371 6.671 50 10 KKGE C=CCc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OCC)cc2)c1O 254292687 AQRXBVGOKGOOFK-UHFFFAOYSA-N 513.623 5.010 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Br)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254293230 MPXYPZNBRLABOI-CVORIBJVSA-N 604.574 6.871 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2-c2ccccc2)cc1 254404350 LXFUGOLHOKLWBI-UHFFFAOYSA-N 555.748 6.786 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2OCC)cc1 254485953 IUNWLGKUYKMDMU-UHFFFAOYSA-N 553.615 5.127 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)c(O)c1 254628437 AWLTZVBIRSISJI-UHFFFAOYSA-N 544.681 5.046 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)NN=C/C=C/c2ccccc2)n1-c1ccccc1 254631818 QPVYKWIVQROQOE-LUULNWQWSA-N 622.536 6.088 50 10 KKGE O=C(CN1c2ccccc2Sc2ccccc21)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 254822271 AGFHZKJSDFIICJ-UHFFFAOYSA-N 536.060 6.946 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](n2ccc(O)nc2=O)[C@@H]1O[Si](C)(C)C(C)(C)C 616584478 CGFVMKAPZDNEHQ-ZYYFQOEESA-N 662.797 5.755 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(C(C)(C)C)C(C)(C)C 616591269 XORYGFNCJVGENP-KLGXJQLPSA-N 795.014 9.608 50 10 KKGE Brc1cc2c(c([C@H](Br)c3cccc(I)c3)c1)OCCC2 688378191 HJJRAZHSCGLKQQ-OAHLLOKOSA-N 507.991 5.863 50 10 KKGE C[C@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616550 KGFUGDPNSJHMRP-IBGZPJMESA-N 514.884 7.114 50 10 KKGE CN1CCN(CCCOc2ccc([C@@H](C(=O)Nc3ccc(N=[N+]=[N-])cc3)N(C(=O)CCl)c3cccc(C(C)(C)C)c3)cc2)CC1 725238299 GPJVEJQPMZVKRW-YTTGMZPUSA-N 632.209 6.894 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1OC 725434660 XXFMRLKFGXYYIQ-UHFFFAOYSA-N 639.572 5.528 50 10 KKGE CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(\C)C=O)(C3=O)[C@@]14O2 1077990725 KYPSMUUXSFJTAR-QRHJLLECSA-N 614.779 7.384 50 10 KKGE biogenic O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 1083903970 LOVMWXDSYPGZOY-AREMUKBSSA-N 596.319 6.908 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)cc1C 1083994129 OUROYHZSJGJGBB-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084024296 IZWGHGDLYMUCLT-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(C)=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1 1084294798 SAEJDTXWPKYUIW-UHFFFAOYSA-N 550.662 7.329 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084322338 XKHIKJGHFMPXAA-GIJQJNRQSA-N 546.248 7.198 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084363565 YHFVDZUITCCJOG-UHFFFAOYSA-N 518.404 5.477 50 10 KKGE Cc1cc(C)cc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3c(C)cccc3C)c2C)c1 1084423220 NXZLOYAXNXEMHS-UHFFFAOYSA-N 512.517 6.474 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084483998 NHIYKCJAKBSXAZ-VXLYETTFSA-N 560.275 7.588 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1084607155 PRIDCPQXEFOTDK-UHFFFAOYSA-N 555.729 5.893 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745790 HKHSYYYFRYVXBE-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccs3)CCC4)ccc21 1772748300 BRNHNAIWOICKHV-UHFFFAOYSA-N 510.619 6.500 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 1772754223 SPFFUWLMUMQLSR-UHFFFAOYSA-N 525.443 5.863 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCc1ccccc1 1772755125 ONKIMGWJNNMFEV-UHFFFAOYSA-N 538.094 6.336 50 10 KKGE CCOc1cc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc(Br)c1O 1772755400 FHHXLPJCMGGQIW-UHFFFAOYSA-N 528.241 5.188 50 10 KKGE CCCc1ccc(OCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c(Br)c1 1772755916 IQOOVLBVWYQWHB-UHFFFAOYSA-N 590.312 6.281 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)ccc1O 1865681891 ZKHWGIDTZABWJZ-XMMPIXPASA-N 514.969 5.524 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683258 BQLOADISTZMSIL-JOCHJYFZSA-N 568.258 6.835 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 1865686032 QMYRDCYUEKETJQ-IBGZPJMESA-N 501.295 6.569 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865686185 SEQKQVZLGYDBBX-MRXNPFEDSA-N 534.152 6.782 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865688091 IXWHQMHFYLLUQR-MHZLTWQESA-N 502.549 6.117 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689655 VRAUWSOZISRYSI-QHCPKHFHSA-N 513.425 6.147 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690254 MSUYKDRXVZZCPW-GDLZYMKVSA-N 526.596 6.345 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865691961 GGBVERWNHKUZNE-QHCPKHFHSA-N 571.903 6.646 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865692772 PFHTWQNIPVKVLE-QHCPKHFHSA-N 557.876 6.061 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cccc(F)c1 1865693079 LCELOACYEMHNTE-AREMUKBSSA-N 540.595 5.762 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)c1 1865694287 SLURJYKCHIVSRQ-VWLOTQADSA-N 512.997 6.208 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696608 IMNWXVPNXAZEPG-NRFANRHFSA-N 543.849 5.866 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703091 MUOJAHDIEKJWCM-SSEXGKCCSA-N 534.660 6.638 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865703435 VRSZYLDCCLBDJK-NDEPHWFRSA-N 520.633 6.231 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867109421 MXNOWPKGZUFXLY-HOFKKMOUSA-N 503.643 6.285 50 10 KKGE CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867200251 AHTDARKEFSOVEG-HSZRJFAPSA-N 559.095 6.428 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C[C@H]1C 1868207032 DHULSRUQXHDLQT-SZPZYZBQSA-N 502.688 5.320 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@H]3c3ccccc3)OCO5)nc(-c3ccccc3)n2)cc1 1868365912 YIFLLZIIOUKNAU-JGCGQSQUSA-N 555.663 7.341 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(F)c3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434253 ZIJLEUXVSSYHHQ-WJOKGBTCSA-N 564.089 8.405 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c(OC)cc1Cl 1872756757 ZEXSIAXDLHCFBI-FLFQWRMESA-N 507.011 7.286 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1872791967 XRRNPRVRMDGBMK-XDHOZWIPSA-N 525.432 8.298 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 1899861582 RWNMFKZJHQCEKD-GOSISDBHSA-N 517.080 7.336 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)s1 1901026166 NSADNMGDTNDZMD-KRWDZBQOSA-N 519.629 7.069 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1c(Br)cccc1Br 1905342765 KXJNANPPEDXWSK-LLVKDONJSA-N 516.027 5.204 50 10 KKGE O=C(c1cc(Br)cc(Br)c1)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915311120 DPRZKRIYGLZZGT-SFHVURJKSA-N 516.071 6.028 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cc3c(s2)CCCCC3)c1Br 1924600185 BOPVYKXHPUVCDO-LLVKDONJSA-N 564.000 7.850 50 10 KKGE CO[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780169 PNRXNJASZWUNPT-MSVFPHSYSA-N 556.712 6.208 50 10 KKGE CC(C)(F)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780851 YBRGNPWRBVCUOK-SSDOTTSWSA-N 516.268 7.155 50 10 KKGE Cl[C@H](c1cc(Br)c2c(c1)CCCO2)c1csc(Br)c1Br 2150345223 FNXHIMSDDOUZFV-GFCCVEGCSA-N 501.465 6.689 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2182022543 TXYALSVXUZTKRD-DMXGEVFUSA-N 565.869 6.829 50 10 KKGE Cl[C@@H](c1c(Br)cccc1Br)c1c(Br)c(Br)cc(Br)c1Br 2206394734 IWSJPWQJHRLUDH-ZDUSSCGKSA-N 676.060 8.590 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1c(Br)c(Br)cc(Br)c1Br 2206395928 RIWWHYIQZSRMIY-SNVBAGLBSA-N 658.191 7.864 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2C)ccc1I 2218791751 DZCFBBHAKVPVCW-LBPRGKRZSA-N 500.037 6.525 50 10 KKGE Brc1sc(C[C@@H](Br)CN2CCCCCC2)c(Br)c1Br 2230051993 VIJNYGXZIKFMKQ-SECBINFHSA-N 538.969 6.218 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512393 SVVIRGCWDWNSAY-NSHDSACASA-N 542.707 8.310 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2cccc(Br)c2)c(C)c1Br 2235607902 HVBBKHLSFWZPIH-CQSZACIVSA-N 525.904 7.270 50 10 KKGE CCc1cc([C@@H](Br)c2cccc(C)c2I)sc1Br 2255988663 MQBUXRNTAJTNBB-LBPRGKRZSA-N 500.037 6.470 50 10 KKGE Brc1cocc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2258116221 BMHHJZYLMDQOJK-SECBINFHSA-N 631.576 7.576 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)cccc2Br)c(Br)c1Cl 2283561767 NEVSFJJQYFLGCX-LBPRGKRZSA-N 548.294 7.120 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 2294953983 VCBSWEZQPXJQSX-UHFFFAOYSA-N 507.384 5.981 50 10 KKGE N#CC(=C(C=C(CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 2297506076 RZESJTSGYIQQFP-UHFFFAOYSA-N 506.508 7.664 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297533806 DLHQCAPZLSQUHH-UHFFFAOYSA-N 571.315 6.141 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc2ccccc2c1 2313568041 OEUZBVWJXPOTLH-UHFFFAOYSA-N 574.418 6.886 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313568279 TWAYHMMDUNHEKI-UHFFFAOYSA-N 570.904 6.880 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C1 2314475716 AXZCVCWVIQATOB-ZEQRLZLVSA-N 571.747 5.562 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(C)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314591994 JBTVNORRECNHSE-MHZLTWQESA-N 511.647 6.192 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592122 MEJWNGABPMEUCY-PMERELPUSA-N 537.729 7.526 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593069 GXTMBNUFCWAJRX-RUZDIDTESA-N 501.608 5.154 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314621144 ZPCKVORGIMGIOO-UHFFFAOYSA-N 645.546 8.218 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643205 HSDXDKQHBJDBAQ-XIFFEERXSA-N 613.497 7.726 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644615 UFFWJINJSQWGLF-UUWRZZSWSA-N 627.524 8.117 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314647003 YQNNSBASVFHZDP-MHZLTWQESA-N 650.782 5.577 50 10 KKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)CO2 2315927223 FKUWVCQLZKQWIE-NZKKVVHASA-N 523.910 6.287 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)nc(O)c2cc1OC 2331044519 WWKOCTMEWQITQC-UHFFFAOYSA-N 538.387 6.311 50 10 KKGE CCc1cccc(C)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231825 HHSHRHQOVGRBLB-RUZDIDTESA-N 505.643 7.194 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3cc(C)ccc3OC)cs2)c2ccccc2)cc1OC 2331322967 OKJPVWPFSHBMQO-UHFFFAOYSA-N 510.615 7.178 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)n2)cc1 2331341823 ULZYTPXPZXJWJY-UHFFFAOYSA-N 509.562 6.823 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(F)ccc1C(F)F)C(=O)OC(C)(C)C 2363553285 QXOLHOOKVSBGEV-LJQANCHMSA-N 501.327 5.731 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2ccc(Br)cc2)c1Br 2365182736 DEGPJVSNYYCGFU-ZDUSSCGKSA-N 527.876 6.775 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2365196948 RIQGESMAMDPBID-OAQYLSRUSA-N 510.653 7.436 50 10 KKGE Cc1cc(Br)c(CBr)c(OCc2ccc(Cl)cc2I)c1 2365647483 KHRBLQSKLODQJH-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OCCc1ccccc1 40951271 MAJQRZHNGGIFMD-VUTHCHCSSA-N 525.443 5.697 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 40992560 VPCMAINMCYVOKS-URBXIIBVSA-N 520.626 5.571 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1 59304696 UVQYVLWQXLCPNK-GOJREDGKSA-N 522.652 7.777 50 10 KKGE N#C/C(=C/Nc1ccc(I)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100057190 HWFIXLFUWZMEPB-RAXLEYEMSA-N 576.213 6.260 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc(F)c3)cc2Br)cc1 100233533 BBTLQCQPLHQCJQ-DVMDLWDRSA-N 573.459 5.929 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100452248 BAYZBTOHAFBAIH-MIIVUHEXSA-N 576.318 7.027 50 10 KKGE CC(C)OC(=O)c1ccc2ccccc2c1OC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100935490 AVUHLBVPWCLILA-WDJPJFJCSA-N 617.172 6.996 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O 101333064 YSMHBHWORXCBCI-NLRVBDNBSA-N 510.663 6.434 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101337657 XXAMYJUOIGDKHH-VSZOBNKWSA-N 542.639 6.680 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C 101379940 GSKGDZMJKAQOOW-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 101380045 AZOJUJVQAQXFGT-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382102 LHOXQOCSPKVJOI-LPYOBDFFSA-N 544.607 6.420 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386301 BWLMFIHIBCXNEC-MGBGTMOVSA-N 611.094 7.400 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(Cl)cc1 101388733 CSHWIVVCSQDTDN-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)oc2cc(Br)ccc12 101390192 GPEBFWMOYZCINR-SANMLTNESA-N 557.444 7.239 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1OCC 101394167 OITFNFLQCZWEFM-RUZDIDTESA-N 581.477 7.443 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OCC 101395378 SHBBRJHUICYWTG-HHHXNRCGSA-N 583.468 7.017 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101395985 YPYUNBKDFPYVNJ-MGBGTMOVSA-N 594.708 8.153 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101396639 ZVAPVDKAAFDORE-JOCHJYFZSA-N 571.869 7.698 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 101397205 LIVVGYHDJXGPRD-PMERELPUSA-N 571.073 8.181 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101397988 KWKNSNIDMPYXHQ-KYJUHHDHSA-N 601.442 6.536 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613737 XAMTWMIZZJBCOW-IWBSIUBASA-N 575.452 6.107 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(C(=O)O)cc1 101712592 PZPJREPSSUYHPW-YDZHTSKRSA-N 544.007 5.763 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@@H](C)C2 102665428 WLIGUPMRTXETTH-ADVGAGMGSA-N 529.445 7.162 50 10 KKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665936 FKMVNBCWJOQAKJ-FNBPXTNNSA-N 538.854 6.167 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1I 103723794 YMIYIMQDTMQKSO-LGJNPRDNSA-N 560.189 5.268 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F 103878994 RWYPCCRLZKJMEI-NNLKUIAGSA-N 622.538 8.426 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 104031360 ODPQZEMBKBQZNX-AFUMVMLFSA-N 564.324 6.793 50 10 KKGE Cc1c(Cl)cccc1-n1c([C@@H](C)N(CCC(C)C)C(=O)[C@@H](Cl)c2ccccc2)nc2ccccc2c1=O 109382038 FJOHNWVZEOZRDK-ZBLYBZFDSA-N 536.503 7.263 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2I)cc1Br 128662567 BCQXCEVCBOHZFT-CQSZACIVSA-N 500.399 6.453 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150486005 HKPIFRDCLCRYCK-NDEPHWFRSA-N 672.030 9.657 50 10 KKGE C=CCCCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 197680491 JAINWPINHUITAG-LHJKGKBZSA-N 799.005 7.948 50 10 KKGE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 211918001 WLQIAWFGDWRQGH-LDADJPATSA-N 553.131 5.227 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 214307370 CSDIDPREADWCJN-GMEAVFFOSA-N 636.752 7.679 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 214347932 OFWANCIFRAYXQS-LQNQUEJISA-N 542.683 6.175 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(Br)c(Br)s2)c1 232482647 YRKHFCBSYGWZOK-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 234813723 NYSBFEICPUKQAO-CQSZACIVSA-N 513.849 6.467 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1OC 234992689 FFBWUFYADSQZEX-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 235971849 UCQVIOIVYIYBCY-LBPRGKRZSA-N 506.428 6.514 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccco2)cc1 252619079 LLZZDNFFKJUNQB-UHFFFAOYSA-N 512.360 5.010 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OC)c1 254823736 NHYIEXMYXAXXHY-UHFFFAOYSA-N 552.756 8.245 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(I)cc2)[C@@H](CI)C1 394513743 GAHQHHPXDCBAJH-FUHWJXTLSA-N 547.174 5.078 50 10 KKGE C[C@H](CCCO[S@](=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 575627488 WSBINBUDUYSHJN-RKNUSJEBSA-N 599.010 10.112 50 10 KKGE in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 605692405 BXBZRBSTRFMYJK-JIIPBSRESA-N 530.910 9.325 50 10 KKGE in-vitro CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1083963609 FUGLQETYZMYTSP-GDLZYMKVSA-N 561.078 6.834 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 1084206940 VFSOPAIZHUDWJN-UHFFFAOYSA-N 641.731 9.250 50 10 KKGE COc1ccc(/C=C/C(=NNC(=O)CC(=O)NN=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084213009 GSIHQKHTEPMITA-SKZRYYGOSA-N 632.717 5.879 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1084255162 ALQNGGMPDUCNMN-UHFFFAOYSA-N 556.446 6.360 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNc1nc(S[C@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1 1084386241 ORQDFLKIFUPZBC-HSZRJFAPSA-N 646.866 5.645 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084483264 HVVGYKDCRUAMPC-UHFFFAOYSA-N 616.262 6.398 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 1084517171 BFRPFZFPWOBORB-NDEPHWFRSA-N 561.476 6.544 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1 1084586313 WHSAJXLZACMOII-UHFFFAOYSA-N 704.156 8.059 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 1084619862 NYQJLOCXOOLTCS-NDEPHWFRSA-N 638.502 6.395 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084634984 AEQAZLBKOBLIIL-UHFFFAOYSA-N 522.668 7.358 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(I)cc5)c(C)c43)coc2c1C 1772752102 UORKKYWYNDVINO-UHFFFAOYSA-N 595.437 6.207 50 10 KKGE C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C/C(=N\NC(=O)CCCCC(=O)N/N=C5\CC[C@@]6(C)[C@@H](CC[C@H]7[C@H]6CC[C@]6(C)[C@H](O)CC[C@H]76)C5)CC[C@]43C)[C@@H]1CC[C@@H]2O 1848439090 PYYXHHBYOQWWNZ-NHEJVPICSA-N 719.068 8.298 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c(Cl)c1 1865685086 FFXJZKSDKPCMOL-NRFANRHFSA-N 528.226 7.371 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688522 UIUKJXDHVUMDBY-PMERELPUSA-N 569.105 7.042 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690482 SMAXVUPYFPRORQ-PMERELPUSA-N 575.068 7.058 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698966 HDDHVADRSDCIFU-AREMUKBSSA-N 539.998 6.109 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702159 OEZAIYSNMCEBSA-SFHVURJKSA-N 518.184 5.317 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865703979 JWXXUDLFDJDITF-SSEXGKCCSA-N 514.585 6.140 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865711077 PDTGCXZSBWMGGG-VWLOTQADSA-N 528.996 5.496 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711239 TXMRQHIEXFPFCK-QHCPKHFHSA-N 520.486 5.983 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1865713141 RRZRMYVTALVXDR-OAQYLSRUSA-N 514.339 5.428 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866649664 XGVRUCYUTKNEAU-AREMUKBSSA-N 510.619 5.440 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998465 YAUUZDNWJQUUKX-SVBPBHIXSA-N 548.064 5.698 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)nc(Cc3ccccc3)n2)cc1 1868206953 AKTDLQVIQUVJLF-RUZDIDTESA-N 514.054 6.615 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)nc(-c3ccccc3Cl)n2)cc1 1868413563 ATDRBYXGNBTPTN-QFIPXVFZSA-N 532.500 7.979 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 1872794667 OVAKBZTZVSIDHT-YDZHTSKRSA-N 517.050 7.822 50 10 KKGE Cl[C@H](c1cc(I)sn1)c1cc(Br)ccc1OCc1ccccc1 1899880095 UGFXVPYXBYGRER-KRWDZBQOSA-N 520.617 6.417 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccccc1I 1923050462 VLIZQIPIWUCMKM-QMMMGPOBSA-N 571.297 7.015 50 10 KKGE COc1ccc(C)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595737 DIROMJYQIMTHRT-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc3ccccc3c2)c1Br 1924600921 UMVWZWAPCBNWKG-GFCCVEGCSA-N 539.912 7.673 50 10 KKGE FC1(F)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 1924616366 OATILDUYDZKIMF-IYSWYEEDSA-N 529.864 6.907 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2c(Cl)sc(Cl)c2Cl)c1 1925587903 MNFMRKCLCVHJLK-MRVPVSSYSA-N 516.840 7.451 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(Cl)ccc1I 1950208448 RGBWUPJWSAAKBP-NSHDSACASA-N 506.428 6.561 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2085497059 DYCAPKUPDXHRMH-ZJUUUORDSA-N 576.693 7.218 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(I)c1 2086149865 SYZQBXDMQJALRI-CYBMUJFWSA-N 609.719 7.063 50 10 KKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(CCC(F)(F)F)Cc1ccccc1 2123369653 LAIAVGNEHFVULG-UHFFFAOYSA-N 515.189 5.487 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCC2)c1Br 2141476137 XATATHYCIBFHRN-JOAULVNJSA-N 580.778 7.609 50 10 KKGE FC(F)(F)C(F)(F)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396981 CQMPLMAHQZGAGW-YFKPBYRVSA-N 618.652 7.760 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)Cc1ccccc1I 2225616532 PIWGPBJFMGILHB-GFCCVEGCSA-N 518.389 6.478 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CCCC23CC3)c1Br 2255271973 YTVRMASVOCLRRW-YUMQZZPRSA-N 521.938 7.442 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1 2297491189 RENGIDZLVRDNGF-UHFFFAOYSA-N 534.197 6.617 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)s1 2299496240 TUNQYAKXUBQEHO-KRWDZBQOSA-N 507.074 7.881 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2c(Br)cccc2Br)s1 2300954661 ANNHCTKEWHZBSU-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518855 WTQOYBKPSYARLE-UHFFFAOYSA-N 638.245 7.030 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313568797 XFMHLXPXZXGETL-UHFFFAOYSA-N 532.394 6.519 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(C)cc1 2313571284 RKAHNHLYOMCSPT-UHFFFAOYSA-N 515.824 7.479 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314591962 IQSDTCCOWHSXNV-AREMUKBSSA-N 550.511 7.490 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592511 VXIUXPVKZVDXHN-QHCPKHFHSA-N 524.429 6.067 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314640708 PNHIVXQHJXRGNZ-JGCGQSQUSA-N 536.672 7.390 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314646522 AEWQKMFQQIPCFJ-GDLZYMKVSA-N 662.768 5.562 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2329654435 IEEHQWBHMDQSLS-UHFFFAOYSA-N 513.779 5.319 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1 2331245494 RNJSWFDXJACGRX-UHFFFAOYSA-N 515.638 7.832 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCN4CCOCC4)c(OC)c3)n2)cc1Cl 2331480710 HODJMQYMADMORI-UHFFFAOYSA-N 512.031 5.256 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCCCc1ccccc1 2331488717 RVUKUJKXVFJWPQ-UHFFFAOYSA-N 521.469 8.201 50 10 KKGE Clc1cc(OCc2ccc(I)c(Br)c2)ccc1CBr 2349806493 KCDZWZHYLSNDBQ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2364036645 JSLPKXSFYVCLAU-SSDOTTSWSA-N 619.146 6.747 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(Br)c1Cl 2365189561 WDEDULVCTIXDCW-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1 8557633 UJCZKMIJFFHLRJ-UHFFFAOYSA-N 578.090 5.582 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(O)ccc2ccccc12 20806593 HANNNSJDNSLFID-KBVAKVRCSA-N 522.634 5.331 50 10 KKGE Cc1ccc(CSc2ccc(C(=O)NNC(=O)c3ccc(SCc4cccc(F)c4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 33356884 HNVMKYGZJRZBFT-UHFFFAOYSA-N 606.657 6.610 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651685 PVHKGOHHROGVJW-DEOSSOPVSA-N 505.368 5.674 50 10 KKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NN(c3ccccc3)c3ccccc3)c2c1 39867277 WNJOOHCDSLZKMG-UHFFFAOYSA-N 510.641 7.884 50 10 KKGE Cc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1Br 100174900 LNPSSCTZNJOQOU-UHFFFAOYSA-N 518.205 5.027 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)COc3c(Cl)cc(Cl)cc3Br)cc2)c1 100229566 YXMUEOXQXOYWJK-UHFFFAOYSA-N 551.224 5.157 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 100237348 LLBWHYAXGOJQMT-APTYXWLQSA-N 545.463 6.334 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245925 NPIWKAKZIPKHEV-IDJUBOEBSA-N 502.039 6.276 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(CC)cc3)C2=O)cc1 101246429 QUWVVJNORTZFGW-DNWDVRSHSA-N 539.701 6.665 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101340171 LBELOBHJUVTJJX-AJBULDERSA-N 572.665 6.090 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101360032 IPZRWMRCINUKLL-SFHVURJKSA-N 584.670 7.465 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101367774 GSJWPYSRCLKDGX-HKBQPEDESA-N 556.659 6.374 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)c1 101368405 CJHOCZZVOKTJRO-WJOKGBTCSA-N 556.659 6.736 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCCC(C)C 101375051 GMURQHSXGXYBIW-WJOKGBTCSA-N 556.659 6.735 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101377763 FRPXGGZIIAFASQ-HOGPCNLLSA-N 577.508 8.180 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380445 SYEVIAMEJQLLMP-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1 101380479 TVSYZXXLRNREGR-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCC(C)C 101395466 VRJFRDNBRRZLKX-AREMUKBSSA-N 595.504 7.689 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 101395916 FNHFVJNOQSUNES-HKBQPEDESA-N 566.654 7.536 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101398349 IIRRCJSVUORVIF-PMERELPUSA-N 576.992 6.463 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101399817 MFTDZDULMHKHKZ-HKBQPEDESA-N 617.485 7.417 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 102349662 COYUTZVUOPEAEA-UYRXBGFRSA-N 537.563 6.881 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883241 FZMDBQSVQAPCKT-CJLVFECKSA-N 567.402 5.265 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 150402333 INABXHIOXJUFLQ-LEWMOKLLSA-N 664.809 5.967 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150461984 FDNYJWXOGNRHIN-PMERELPUSA-N 643.548 8.542 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](CO)C[C@H]1O[C@H]1CCCCO1)O[C@@H]1CCCCO1 205905455 YDBVEJCYLUWJQS-IWAIKEGQSA-N 630.983 8.818 50 10 KKGE C[C@@H](c1ccccc1)c1cc(CO)c(O)c(SSc2cc([C@@H](C)c3ccccc3)cc(CO)c2O)c1 206704446 RRQBBIRJCZYLES-PMACEKPBSA-N 518.700 7.185 50 10 KKGE CCCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC 206954328 LNZCXGNPGHPNFL-IEBHYGMGSA-N 514.578 5.699 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)ccc1OCCC(C)C 207167849 SKAGNYDAWPYNLM-MBKCXNSNSA-N 506.599 5.179 50 10 KKGE Cc1cc([C@H](Br)c2cc(I)ccc2Br)c(C)cc1Br 235860079 IJKJEJUEIZUHKN-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1OC 254351041 ULUZZHJYCHDDID-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1OCc1ccccc1C 254386836 OTTUDZKXVTYQMQ-UHFFFAOYSA-N 527.581 5.198 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254629343 IAAXXUFSDIRSBZ-UHFFFAOYSA-N 575.662 6.456 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccccc2Br)C1 303740692 CUAPQWRNRWVZAU-SFHVURJKSA-N 510.210 5.170 50 10 KKGE CCCO[C@@H]1[C@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 388220493 BOPNRGIQXGDMQO-GGZOMVNGSA-N 526.967 5.103 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccccc2)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 1083951208 SHNKZEPTQMWTGC-UHFFFAOYSA-N 666.594 6.008 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)S(=O)(=O)c1ccc(C)cc1 1084175192 IIUQBOVLCOSIDN-UHFFFAOYSA-N 586.497 6.306 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1084204631 LHFKBXJJVIKGOF-UHFFFAOYSA-N 608.536 7.957 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4ccc(F)cc4)c3C)sc3c2CCCC3)cc1 1084256002 DFJSEGYALIVMRH-UHFFFAOYSA-N 543.668 6.890 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 1084265515 OEOGZGSCACMSKN-DEOSSOPVSA-N 590.312 6.153 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(Cl)cc2C)cc1 1084536086 KZTXLXNMXCXYAD-UHFFFAOYSA-N 577.150 6.327 50 10 KKGE O=C(COc1ccccc1Cl)NN=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21 1772752358 ZWRPKBPEFUXSKV-UHFFFAOYSA-N 533.209 5.202 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1c(Cl)cccc1Cl 1772754147 OZFRDZIDOALNNO-UHFFFAOYSA-N 614.323 7.540 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848435228 KNWRANWQYPIVSF-DQTFVPEQSA-N 641.540 5.967 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@H]2CCCCO2)C[C@H]1C[C@H]3O 1848440641 QENLZIAWWAHCNU-IECOIRQHSA-N 590.962 8.493 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685577 KNQBPJPFYVCXGE-NRFANRHFSA-N 507.352 6.212 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCc1ccc(C)cc1 1865688316 PBHCRLZECZTLCX-PMERELPUSA-N 564.686 6.719 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689751 DUNDVFITEYDRLI-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865691542 VEYHQQDJGCHCAU-AREMUKBSSA-N 521.061 6.333 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1 1865692911 GQOLDPLMOXMCIO-MUUNZHRXSA-N 559.041 6.482 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)ccc1OCc1ccccc1 1865693535 KMQFKAVRWAKQSU-NDEPHWFRSA-N 524.596 5.829 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694663 YUGVRYIIQNOAQV-LJAQVGFWSA-N 555.078 6.733 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865696601 IKCWMSZHNUFORV-OAQYLSRUSA-N 547.812 5.420 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865696944 LTROVVYOXYMYCJ-MUUNZHRXSA-N 536.632 5.929 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703970 JRZUZWRYECRGND-JGCGQSQUSA-N 540.667 7.061 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865709230 RLIKKTRYSAIULB-HSZRJFAPSA-N 512.953 5.206 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 1865712129 PZEUXYMATSFQAO-VWLOTQADSA-N 530.550 6.364 50 10 KKGE CC(C)(NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866581148 ZNFMOHDEVFPEEO-UHFFFAOYSA-N 518.689 6.188 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)c2ccccc2)cc1 1866601942 XRHWKCDHQIZAEV-GDLZYMKVSA-N 572.756 6.158 50 10 KKGE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867185928 DBMCDZCEIXFRDY-FQEVSTJZSA-N 504.660 5.405 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1C 1868207181 IVKVGTABOIWNBY-AREMUKBSSA-N 535.673 6.553 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C1 1868414047 GXOAVNQLLYMXND-IBGZPJMESA-N 528.081 7.843 50 10 KKGE CC1(C)COC[C@@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414577 NIHWZHLRCRVYIY-HSZRJFAPSA-N 542.108 7.340 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)nc(O)c2cc1OC 1872727747 XQYHOOLYEHLRTC-MHWRWJLKSA-N 508.361 6.303 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)c(OC)c1 1872755193 CKQCTFKCIRRUDC-IGUAEOCPSA-N 521.820 6.503 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 1872791765 SLSISYRFYNNKLU-RGVLZGJSSA-N 521.425 7.531 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1914614288 VPEUBBBQXZSLSV-LBPRGKRZSA-N 537.033 5.480 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)C(=O)c1cc(Br)ccc1Br 1916383620 MQIVNDAAFPZERQ-OAHLLOKOSA-N 520.059 5.264 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)s1 1922893559 WUTFWWKGBRHYRR-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)ccc1I 1924037855 CJSXBZNTUFHZQI-RTHLEPHNSA-N 559.865 6.451 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CC1(F)F 1924568763 LDGZOIZAFKRAAH-XRGYYRRGSA-N 503.826 6.517 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1COc2ccccc2O1 1924600514 QXRMTYBXYSQQND-KCJUWKMLSA-N 503.437 6.156 50 10 KKGE COC[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616348 NWWULXGFGRFCHA-KCJUWKMLSA-N 527.898 5.667 50 10 KKGE CC(F)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995046897 BLEVYLWFMPBLLN-MRVPVSSYSA-N 550.655 6.828 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2016553506 UUVHYWLHXNBSBS-PRBAGFKUSA-N 505.895 6.374 50 10 KKGE COc1ccc(N2C(=O)N[C@](c3ccc(C)cc3)(C(F)(F)F)SC2=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2053623392 VUGHUCMCAGWEQP-HKBQPEDESA-N 647.683 5.991 50 10 KKGE CC1(C)c2cccc([C@@H](N[S@@](=O)C(C)(C)C)c3cccc4ccccc34)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 2080761217 CYZPTSBGUJWVQC-IZSRLVMASA-N 653.828 9.171 50 10 KKGE FC(F)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085493505 CKHRTVJZUDSMGO-VIFPVBQESA-N 576.693 7.218 50 10 KKGE FC(F)[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495030 OVYAUDBSLKKPNZ-IAPCHEMPSA-N 532.242 6.918 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(I)sn1 2120034735 ZEOATKTWZSRBHP-LBPRGKRZSA-N 517.024 5.620 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)ccc2I)c1Br 2138848030 CKHSIHJXICPOON-CQSZACIVSA-N 623.746 7.371 50 10 KKGE CC[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141473473 PGXQLWNLMJHELM-MNOVXSKESA-N 590.720 7.608 50 10 KKGE Fc1cccc(Cl)c1C[C@@H](Br)c1ccc(Br)cc1I 2142279597 SASZTEYIPJZOJZ-LLVKDONJSA-N 518.389 6.525 50 10 KKGE CCc1nc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(Br)s1 2201622114 RMTYMPUXKRVRBC-MRVPVSSYSA-N 510.423 6.646 50 10 KKGE O=S1(=O)CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396507 XRQFFBHQOISWEP-SREIQFSDSA-N 574.354 5.841 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(F)c1I 2225617096 LVBORHJPEKBCRD-GFCCVEGCSA-N 566.803 6.579 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1-c1ccccc1I 2234068569 QZQMWVCBDDPBIU-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Cc1sc([C@@H](Cl)c2cc(I)ccc2Br)c(Br)c1C 2253511827 HPWLRZHTYXYTOV-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1c(Br)sc(Br)c1Cl 2255964037 OBGNDNWJVATBEO-QMMMGPOBSA-N 544.836 6.998 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)cc1I 2269548346 RFVZVSMNEAWEDJ-CQSZACIVSA-N 563.398 5.995 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2279047157 KVSURGPNKQAADZ-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(C)c1C 2284589643 KPEXBMAYRQIVIL-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE N#CC(=Cc1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2295670009 XUUDCXMIPISXDS-UHFFFAOYSA-N 514.334 7.561 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2296033223 OVRXRVXFKQZBNT-UHFFFAOYSA-N 593.503 6.154 50 10 KKGE CCc1ccccc1NC(=O)C(C#N)=Cc1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1 2297616719 GZIDTJIHJMEGMQ-UHFFFAOYSA-N 536.579 6.689 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1csc(Br)c1Br 2299536336 YQPRMGQGCXHONQ-INIZCTEOSA-N 595.976 8.099 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1Cl 2314475915 FOUXHSJZZXJPEO-UHFFFAOYSA-N 607.114 6.715 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c1 2314534127 ZBYIOMRHKRAEPU-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592498 VOFMNINKOWMRST-MUUNZHRXSA-N 525.674 6.500 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2314593966 WOWFKDPBJRSLGK-DWACAAAGSA-N 509.675 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 2314621016 YUXRHNPOLYICOZ-UHFFFAOYSA-N 519.004 6.294 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634223 HBUHRKIZDZKYAE-MHZLTWQESA-N 519.428 7.128 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCCC(C)C 2314646961 WTAAFEFJBZOTLJ-HKBQPEDESA-N 660.796 6.189 50 10 KKGE COc1cc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 2328799973 LLCCVRDXZCCXLA-UHFFFAOYSA-N 504.027 5.463 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccccc3Cl)cs2)c(Br)c1 2331266731 BMFMCPGNDONZJG-UHFFFAOYSA-N 503.849 7.440 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cocc2Br)c1Br 2339658441 IGGKBGGKGPRLCO-LLVKDONJSA-N 517.837 6.368 50 10 KKGE CC1(C)[C@H]2CO[C@]1([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2359853300 ZEESMBXRAFKVQM-PTHHYDLGSA-N 552.326 6.832 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(Cl)cc(Br)c1 2360425631 DUCUVIXXNQMYTP-NSHDSACASA-N 526.252 7.795 50 10 KKGE BrC[C@@H](OCc1ccc(I)c(Br)c1)c1ccc(Br)cc1 2377620440 AKJUWIZUQPYLNQ-OAHLLOKOSA-N 574.876 6.469 50 10 KKGE N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@@H]1c1ccc(Cl)c(Cl)c1 3087730 UBNPPTLLVVLBHZ-OBDYRVMHSA-O 505.450 5.872 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)cc1OC 38681939 KGNOUAUXVCUNCJ-GDLZYMKVSA-N 512.606 6.400 50 10 KKGE CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1C 97993362 YVBRHCDAUIDXCU-STZFKDTASA-N 504.546 6.197 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2ccccc2c1Br 100188202 XYXBHJRQZSNTGJ-UHFFFAOYSA-N 550.247 5.384 50 10 KKGE CCOc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232130 QTRRQGNGFDYNKH-JPJGIZCJSA-N 556.413 5.299 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(OC)c2)cc1 100237371 VQTDOKLVCVXOPH-POBUXNOSSA-N 622.887 5.895 50 10 KKGE CC(C)COc1cccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100249598 FQDQOCUXPYCOIU-UHFFFAOYSA-N 550.247 5.240 50 10 KKGE CCOc1cc(/C=N\NC(=O)COc2ccc3ccccc3c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100869748 FIVIVHTXCCZWPU-CAQPMQTCSA-N 558.587 5.013 50 10 KKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)nc2ccccc21 100883581 HRFDXXCPXNXFOD-PLRJNAJWSA-N 525.587 7.208 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101336508 XPEBLHLKHVUSNA-BIZUNTBRSA-N 577.644 6.306 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101340184 YYBNHOIDSDEFBQ-NJZRLIGZSA-N 572.665 6.172 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 101340456 KIKMBTRYPOOTBT-UXHLAJHPSA-N 560.629 6.568 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101340785 USRPCPBFCZZAAO-NDZAJKAJSA-N 605.138 7.719 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c1 101376750 WSLPELBYFZFKGY-PDAIQNRNSA-N 535.427 7.009 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)c(C)c5)ccc43)cc2)cc1 101378779 APKXCUJRQUMHRN-JGCGQSQUSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383534 TVJVWZFFOYIBEU-PMERELPUSA-N 573.432 6.775 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101386797 PWICENFGIJKFCE-YTTGMZPUSA-N 601.030 6.578 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101392854 FKJVYWQHMHBCCT-SANMLTNESA-N 530.964 6.158 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OCC 101395648 MCFLTJUQUQDGBQ-KYJUHHDHSA-N 556.615 5.618 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(F)cc4)cc3)oc2c1 101397884 DJVUHLYEMCSOBX-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101494235 IKAZLKJTADCKIY-UHFFFAOYSA-N 537.349 5.305 50 10 KKGE Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612170 GTABZQOTTWEDOK-MTDXEUNCSA-N 531.352 5.291 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(CCC)cc2Br)c(OC)c1 101799742 JGUDZFUZRKEJEC-DEDYPNTBSA-N 529.431 5.218 50 10 KKGE CC(C)c1ccc(N/C(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)=C(\C#N)c2nc3ccccc3s2)cc1 102931699 UKGYCECQFILSHL-NFMKFMHASA-N 565.749 7.979 50 10 KKGE COc1ccc2cc([C@H](C)C(=O)N/N=C/c3ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(OC)c3)ccc2c1 103548335 JGISOROOEXEBOZ-RWUXAASISA-N 561.978 5.892 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Br)cc1 103755257 YLRFUXVSJJGKSG-UDWIEESQSA-N 617.281 6.886 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C(C)C)cc1Br 104803649 QTWLSAAQJARBJH-ZDUSSCGKSA-N 577.328 5.056 50 10 KKGE O=c1[nH]c2cc(Br)c([C@@H](Br)c3cc(Br)c(Br)s3)cc2[nH]1 128562291 MOSPCOCBJMGYNX-SNVBAGLBSA-N 545.876 5.690 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 150410999 PBWHEGIRXHFEHA-VUMGZPTDSA-N 669.557 5.227 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432858 VGBHXBFVSYHGCM-IFXFPORBSA-N 659.566 8.125 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 150468948 XBVDQEQWWGUPIJ-INIZCTEOSA-N 623.078 7.949 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485406 ICOUIYNCJGCXAX-FZEVHQGJSA-N 635.475 7.311 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc(Br)ccc2o1 164630097 WFKDRJKBQPOJLS-LUOAPIJWSA-N 699.093 6.814 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccccc2)cc1 195813598 AFDGXIKNRXDUSK-OGBZQRJDSA-N 733.938 7.162 50 10 KKGE biogenic CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207154431 VPCMAINMCYVOKS-PINRWWFUSA-N 520.626 5.571 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 214406631 DFGGHSGKSOQYHL-LQNQUEJISA-N 560.629 6.506 50 10 KKGE COc1cc(N/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(OC)cc1Cl 216506107 YGHDQAGCIJYGOH-ATJXCDBQSA-N 517.029 5.110 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(F)cc1I 234805821 RICQNWIMJGVNAE-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl 252588393 ABXDBXLVZDWDFB-UHFFFAOYSA-N 669.303 5.330 50 10 KKGE O=C(NN=Cc1ccccc1C(F)(F)F)c1ccc(COc2ccc(I)cc2)o1 252590836 AVUIBLSHLHUTMO-UHFFFAOYSA-N 514.241 5.246 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4s3)c3cc(Br)ccc32)C1 254382559 DKWPGJMSMAYPOR-XDBZFTIUSA-N 612.619 5.876 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc(OCc2ccccc2)cc1 254488173 GWYVXTMLFGFYSR-UHFFFAOYSA-N 529.390 6.011 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc1 254489166 SPUNDJNCOVFDSJ-UHFFFAOYSA-N 549.656 5.764 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 254516396 FFXSOJILGZSTFF-UHFFFAOYSA-N 566.783 8.635 50 10 KKGE CSc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254578894 ZSRQVOPZNNZFBO-UHFFFAOYSA-N 515.708 6.196 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 256025035 MIMJWSMERLGFQY-CCEWJVKTSA-N 533.281 10.127 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1sccc1I 310237369 AMIFKKPHBJFSIL-JTQLQIEISA-N 510.391 6.392 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)coc3c2)[C@@H](OC)[C@@H](OC)[C@@H]1OC(C)=O 575627461 RRWCFRRJDLLSIP-SQQOACJHSA-N 628.747 5.082 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)cnc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705608665 GIYQTCOPTDWIPR-IBGZPJMESA-N 525.878 5.965 50 10 KKGE C[C@H](Br)C[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721574489 YWTUXOGPENKLIT-JQWIXIFHSA-N 515.027 5.222 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 1083897954 AIAIFYBPWDAXRP-PXNMLYILSA-N 570.192 7.899 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)NCc3ccccc3)cc2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 1083899973 GHKWMBPEDVWVJC-UHFFFAOYSA-N 673.113 5.708 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1083938289 MCZCDFKWAIKKOQ-UDWIEESQSA-N 744.198 7.037 50 10 KKGE CC(C)C(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1 1083955991 QMFQXMVXLQRRHO-UHFFFAOYSA-N 504.222 5.920 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 1084134136 WWTPTVJNYYIPFI-UHFFFAOYSA-N 503.396 6.344 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084175089 RNSAAKQPIPTHPB-UHFFFAOYSA-N 534.366 6.175 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F 1084334441 RDXWNKZILNNIOD-PXLXIMEGSA-N 550.428 5.432 50 10 KKGE C=CC(=O)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084490430 YNFNERBOYBNJBS-UHFFFAOYSA-N 503.081 5.114 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 1084571637 XWSZGMABMGOZRV-UHFFFAOYSA-N 715.464 6.762 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1084611850 HWTZFXVSDIEULU-DEOSSOPVSA-N 729.309 5.746 50 10 KKGE CC(C)c1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 1772742945 INFFHFSXRAXTPR-DYTUUQAPSA-N 537.729 7.237 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748694 SQAOHHREVPMZDH-UHFFFAOYSA-N 597.809 6.150 50 10 KKGE COc1ccc(CCNC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)cc1OC 1772752162 WLKBCUVHLOAOIU-UHFFFAOYSA-N 557.647 5.340 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)ccc1O 1865681604 RJUCUHCJGYMMBI-RUZDIDTESA-N 528.996 5.583 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1 1865689664 CEKHADZVKVAKBG-RUZDIDTESA-N 509.025 6.464 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OCC 1865691470 SQCZYGWEDVASKG-MUUNZHRXSA-N 571.077 6.666 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865692428 BLCLSUIEVOMVIH-NDEPHWFRSA-N 527.024 6.089 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865692702 HMRPOBCPLUHBLI-XMMPIXPASA-N 512.997 5.877 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc1OC 1865693280 UBSLCJTUFFFYPX-KRWDZBQOSA-N 543.384 5.726 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccccc3F)cc2)cc1 1865694203 VQACIDHOZSBNTM-SSEXGKCCSA-N 542.614 6.843 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1 1865694608 XREJCSWIZKFFEA-SANMLTNESA-N 510.569 5.753 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865700938 HZKHTHDNBHGORC-GDLZYMKVSA-N 545.042 7.298 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701113 MFYCYDUUBFRUKR-MHZLTWQESA-N 543.023 5.902 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703603 CHTCYDQDHOAZCD-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703662 YNMPVFJYWXDVFP-HHHXNRCGSA-N 555.476 6.693 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707981 LAOZTJVSGWYFDA-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714678 NMDVOYJPMHJKFM-HSZRJFAPSA-N 547.840 6.241 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cs2)cc1 1866588090 KAWBSBYDSHAHAJ-AREMUKBSSA-N 542.686 5.512 50 10 KKGE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1C 1867105576 JOXRCSOVTMJYJQ-VWLOTQADSA-N 575.691 5.478 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433426 LIWMPFGFXQDURU-JGCGQSQUSA-N 576.125 8.274 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)c(OC)cc4[C@H]3C(C)C)n2)c1 1868506212 UQEVATNJGZGXET-WJOKGBTCSA-N 567.715 7.246 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3[C@H](Cc4ccccc4)COCC3(C)C)n2)cc1 1868527527 DABBQUADRJXRPK-AREMUKBSSA-N 551.716 7.086 50 10 KKGE O[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 1898077829 FHPBRIPLUCUKBL-XTZAULBFSA-N 542.685 5.553 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc3c(s2)CCSC3)c1Br 1922880919 GPINEWSMFYXKGT-LLVKDONJSA-N 503.144 6.917 50 10 KKGE CCc1occc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924584217 VDMWQUMIQNLYDG-QMMMGPOBSA-N 507.867 6.675 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595386 YKCCLHYTCJVWHM-VIFPVBQESA-N 582.775 7.591 50 10 KKGE CC1(C)CO[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2001537973 ZGCGLVBFMGNKBR-VDTYLAMSSA-N 511.899 6.287 50 10 KKGE CC1(C)C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782431 MWXXCODAKXIXJP-DYEAUMGKSA-N 510.289 7.063 50 10 KKGE C[C@H](CCCl)C(=O)c1c(Br)c(Br)cc(Br)c1Br 2025783922 XIFYMOWCTXIBCI-RXMQYKEDSA-N 512.261 6.184 50 10 KKGE C[C@@H]1CCO[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494858 GANKZFZVGPHFTJ-VVEMVBODSA-N 526.288 6.442 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)c(F)c1Cl 2201618405 ISVQTEGNZPAPOY-SNVBAGLBSA-N 509.797 7.281 50 10 KKGE C[C@@]12CC[C@@]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206394469 GZNOVASMMLUYMZ-IHRRRGAJSA-N 552.326 6.976 50 10 KKGE Cl[C@H](c1cc(Br)cc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2206410077 VAXMQYZXGNDNKN-CYBMUJFWSA-N 676.060 8.590 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Cl)c(C)c1Br 2235608760 LQHNSDSMKOLRIF-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)c(C)c1Br 2235614897 MPFAOLWJJXJYKD-CQSZACIVSA-N 545.960 7.754 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(I)cc2)c(Br)c1Cl 2268265752 JKOIYZYNHIOHOW-LBPRGKRZSA-N 516.398 6.200 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Cl)c(I)c1 2268270855 VESNYNJGVNUVBF-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)n2-c2ccc(C)cc2)cc1 2293152655 BLZHVACRXGVHPL-UHFFFAOYSA-N 546.494 6.181 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1 2293198173 DAWKPGXEJQNHOX-DEOSSOPVSA-N 532.463 6.131 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2296854999 WANACNQGBUKVBO-UHFFFAOYSA-N 604.663 5.409 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1OC 2297491210 DPWVTXYEYIZKLS-UHFFFAOYSA-N 553.080 7.368 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2cc(Br)cc(Br)c2)s1 2300954611 ADFVIBGYRZLSOI-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CCCl)CCCl)cc3)C2=O)c1C 2313548175 NZRRQDQUNWQIQB-UHFFFAOYSA-N 539.257 5.016 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1 2313567484 KATSWHBYDQMZDT-UHFFFAOYSA-N 564.455 5.822 50 10 KKGE N#CC(=Cc1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2 2313624635 ZHGAKSJHXCUCBS-UHFFFAOYSA-N 548.824 6.058 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCc1ccccc1 2314415072 WKFNFKGUQISKSV-UHFFFAOYSA-N 528.587 6.481 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)C1 2314475714 AXZCVCWVIQATOB-DNQXCXABSA-N 571.747 5.562 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 2314478168 HXLLATFFZNOYMM-UHFFFAOYSA-N 570.045 7.249 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C(C)=C(C#N)C1=O 2314611307 SSQKYFULYULIFV-HSZRJFAPSA-N 542.639 6.509 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634696 ASPXJIIJTFITNG-NDEPHWFRSA-N 500.982 6.356 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1OC 2314754312 PDAOMZZJCKOXSH-UHFFFAOYSA-N 540.483 7.086 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(CCC)cc2Br)c(OC)c1 2314789581 JGUDZFUZRKEJEC-UHFFFAOYSA-N 529.431 5.218 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2ccc(Cl)s2)cs1 2331401992 BXVQCSMWIKLOJT-UHFFFAOYSA-N 516.269 7.593 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)n2)cc1F 2331455664 FGTXBSLGWNYXBY-UHFFFAOYSA-N 506.986 7.263 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1C2 2334620562 HKTLWZPXWQMHHR-KOTJTBMTSA-N 536.327 7.453 50 10 KKGE BrCC(CBr)(Cc1sccc1I)c1ccccc1Br 2338749158 HBQRNAXPFLKNOQ-UHFFFAOYSA-N 578.933 6.386 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1Br 2339649657 XNIJDKDHRDUOST-GFCCVEGCSA-N 515.840 6.906 50 10 KKGE BrC[C@@]1(Cc2ccc(I)c(Br)c2)CCO[C@@H]1C1CC1 2349839642 JJRHVLWKYVEDGV-CABCVRRESA-N 500.012 5.176 50 10 KKGE CC(C)(C)C1CC(CBr)(Cc2ccc(I)c(Br)c2)C1 2349864304 HSURJFCTSGZPBM-UHFFFAOYSA-N 500.056 6.434 50 10 KKGE Fc1c(Br)cccc1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223377 HJJUTOFALQEGGR-NSHDSACASA-N 509.797 7.234 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)C2CC(C(F)(F)F)C2)c1Br 2362223659 NSOWDWCALOCZHQ-PACJAATDSA-N 503.353 7.029 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2ccc(I)c(Br)c2)c1Br 2362234506 HIJABEPSMDNOAV-GFCCVEGCSA-N 617.703 7.699 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Cl)c2sc(Cl)cc2I)c1 2363892261 QJKLOCHZBOYVHO-JTQLQIEISA-N 515.947 7.116 50 10 KKGE COc1ccc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2364264216 VDHWABUQNVVWTP-NRFANRHFSA-N 555.104 7.478 50 10 KKGE ClC[C@@H](Cc1ccc(Br)cc1)Cc1ccc(I)c(Br)c1 2377351105 APQAAMMFFYTFJP-ZDUSSCGKSA-N 528.453 6.456 50 10 KKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1Cl)N(Cc1ccc2c(c1)OCO2)C(=O)CCl 3039222 YEQKTBBRTXCFCZ-DEOSSOPVSA-N 509.405 5.356 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)N1CCOCC1 35446110 DNMQKJHYRNZADX-ULJHMMPZSA-N 525.008 5.537 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 38650839 RRMSEXBPWDNLOV-MUUNZHRXSA-N 518.997 6.030 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 38686389 FCINPXKDGHDGAH-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701119 UDKSFHIVGJKPQT-VSGBNLITSA-N 512.562 5.075 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1 59116623 ZWIWBCRBDHKZNQ-MOSHPQCFSA-N 518.038 6.675 50 10 KKGE O=C(OC[C@H]1O[C@@H](Cl)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 97973375 XVLSIQHWHHLLPV-KAOXLYBCSA-N 584.235 6.219 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 100080016 WKVANFVZHAKDOP-UHFFFAOYSA-N 585.307 5.169 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 100237402 ZHGKTGATQWZZNS-XGUCDPIRSA-N 547.051 6.443 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccc(OCCc2ccccc2)c1 100243379 ODAYFGUWDYYZJI-UHFFFAOYSA-N 546.476 5.110 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 101034190 ZKDRCXBVEDRZAX-HZHRSRAPSA-N 583.072 8.640 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101240895 CLVHCPQFPAFKNL-RAMZYJDASA-N 570.036 6.664 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 101242906 AZCPOSVKAVQUFN-LIPCVEQPSA-N 537.729 6.895 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243813 SEOKCMASAUMCAE-UVGSMNACSA-N 511.647 5.697 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382830 QRVYZOIOAYXFDP-WJOKGBTCSA-N 567.041 6.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384516 VTAYGGKFFNNDRD-PMERELPUSA-N 540.978 6.424 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399728 VPVYYJDYAVJVSE-ROJLCIKYSA-N 611.050 6.281 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611888 KSXBCGLGWGNYHY-STBIYBPSSA-N 530.364 5.111 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615134 HTRUPAUOWWSZTE-JJKQSNDFSA-N 531.384 5.345 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OCc1ccccc1C 102934489 UKNJYWBQMRADBU-GRSHGNNSSA-N 615.278 6.952 50 10 KKGE O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2ccccc2o1 103796988 YPKYSMKVTFWQJU-KKMKTNMSSA-N 565.194 6.687 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103883004 FXCXXFNCRPOAIU-CIAFOILYSA-N 580.866 5.666 50 10 KKGE CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OO 116053938 YSXLNCGVOCEHAT-AREMUKBSSA-O 526.716 6.963 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 150416297 CRVZBSDOFBDJGF-IAGOWNOFSA-N 650.387 5.561 50 10 KKGE O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(SSc2ccc(NC(=O)CSc3nc4cc(Cl)ccc4s3)cc2)cc1 150427051 VVGCDXRSTQJKSZ-UHFFFAOYSA-N 731.824 10.474 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430690 CEKFOMSMOJHAGW-HKBQPEDESA-N 657.575 8.932 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150460328 VLYLWOJPTIWDSV-SUUYUTMFSA-N 633.915 8.071 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461174 YBCQSYIYQIHCIX-SSEXGKCCSA-N 643.548 8.542 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150462723 HYBOXWCXONZOPG-DHUJRADRSA-N 633.531 8.528 50 10 KKGE CC(C)Oc1c(I)cc(I)cc1/C=C(/C#N)c1nn(-c2ccccc2)c(N)c1C#N 150626815 ZRCWQXZORWTQKS-NVNXTCNLSA-N 621.220 5.387 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 164018229 UPXBQHPAJOOCMZ-KVAAJVFYSA-N 654.129 7.884 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214260715 DIDIWOZFBKJYNR-OVZSPSEASA-N 510.663 6.432 50 10 KKGE Cc1ccc(S(=O)(=O)OCC2(COS(=O)(=O)c3ccc(C)cc3)CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1 223237256 MBWPYQBLAIGUCC-UHFFFAOYSA-N 582.857 6.365 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530168 KCEQSXCXMOAMQF-UMGHFGMPSA-N 561.335 10.908 50 10 KKGE biogenic COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc4ccccc4c3)n2-c2ccccc2)cc1 254834163 SVIRNNVRLQNXRN-UHFFFAOYSA-N 507.619 5.729 50 10 KKGE CC(=O)O[C@H]1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](O[C@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616589886 POFJFIPDEIUPPA-HVDMIUKWSA-N 789.121 7.120 50 10 KKGE Fc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)ccc1Br 692784443 MFQRHQBITQVHQF-CYBMUJFWSA-N 515.840 6.792 50 10 KKGE O=C(O)COc1ccc2ccccc2c1C=NNC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1 1081159605 PMPKLZKKNKTFLF-UHFFFAOYSA-N 578.455 5.236 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084191281 KKNWPNCWVSTHDF-UHFFFAOYSA-N 690.016 5.881 50 10 KKGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 1084210051 VLTADIJPPOVFRW-UHFFFAOYSA-N 663.967 6.118 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084254033 AHBZJEDWJLHFEO-UHFFFAOYSA-N 746.294 7.996 50 10 KKGE CCc1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)c(OC)c1 1772755495 JKXBUEXATUGQHY-UHFFFAOYSA-N 531.834 5.782 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCCc1ccccc1 1865687869 CAOOQNPQFJEUFF-SSEXGKCCSA-N 575.068 7.041 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCCc1ccccc1 1865688021 GRQTUVJRSBTXPE-SSEXGKCCSA-N 540.623 6.388 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCCc1ccccc1 1865688048 HNGVVWSKLHJVGO-HKBQPEDESA-N 528.612 6.182 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)cc1OC 1865691212 MRURSVZRDMUVKD-JOCHJYFZSA-N 527.394 5.157 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692961 QHWIAFFAONCRJW-VWLOTQADSA-N 563.441 6.149 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865702528 WOFOWGPJFASVBW-HXUWFJFHSA-N 501.940 5.668 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705997 LLHPYIAEWLXDBU-HXUWFJFHSA-N 518.788 5.970 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866772468 NZZQOFDODDNUKD-CONSDPRKSA-N 581.669 6.212 50 10 KKGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867079085 CGAOLNIYFOWVNF-OAQYLSRUSA-N 537.667 5.159 50 10 KKGE C[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867139788 RAJOVIHJWDLLHR-GAJHUEQPSA-N 508.441 5.688 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1)C3 1868365487 QFLVXAVVZACQCW-UHFFFAOYSA-N 504.619 6.513 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CCO2)cc1 1868413845 DCDSWFRNMMOQRU-SANMLTNESA-N 528.081 7.254 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1 1872745935 KKRGHANOMZDIJY-BXVZCJGGSA-N 517.610 7.278 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1OC 1873940671 BZEAFOYLJYKIKX-PWHQALQLSA-N 514.357 6.004 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915133506 UUMCKYFTIDHZFC-LBPRGKRZSA-N 510.089 6.089 50 10 KKGE Cl[C@@H](c1ccc2c(c1)COCC2)c1c(Br)sc(Br)c1Br 1924572002 VSYIATGGGNIXMD-LBPRGKRZSA-N 501.465 6.437 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csnc2Br)cc1Br 1925238841 IGOYIPBZFPRWMA-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE Clc1ccc(I)c(CC[C@H](Br)c2cccc(Br)c2)c1 2113492358 ACHSASUOBRUBPX-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE FC(F)(F)COC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476787 HBHMOIAFNVMDCC-LURJTMIESA-N 554.220 6.595 50 10 KKGE Brc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(I)c1 2207274890 GSEXGHCYCRHJAN-OAHLLOKOSA-N 572.860 6.235 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 2234055610 CONXETDTTVPDJI-YCPHGPKFSA-N 511.689 6.697 50 10 KKGE C[C@@H]1[C@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234072892 ZJBOAUGUISOZJN-AUUYWEPGSA-N 511.689 6.178 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2scc(C(F)(F)F)c2Br)c1 2240994912 APJKDYFFQVWLSD-JTQLQIEISA-N 539.980 6.927 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2293198189 GKARXHQCKRTHNM-HSZRJFAPSA-N 552.881 5.845 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2296645044 OOQKDIXYBJIPMC-UHFFFAOYSA-N 531.609 6.057 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458571 DPYKVXWSRZPSMD-JOCHJYFZSA-N 563.293 7.365 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=C(C#N)C(=O)Nc3ccc(C)cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 2297534064 OOYNHLCVILWKLD-UHFFFAOYSA-N 539.657 6.142 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(C=C(C#N)c3nc4ccccc4[nH]3)cc2)c1 2297560797 WRLDZXZIFQSTGM-UHFFFAOYSA-N 527.584 6.205 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC2CCCCC2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313511123 PDFZMCIQPXYINK-UHFFFAOYSA-N 585.269 6.541 50 10 KKGE CC[C@H](C)Oc1c(I)cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 2313555906 DFTDDDQSOZIYCL-INIZCTEOSA-N 543.405 5.224 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1Br 2314493732 XGGZOYRGMBDZAC-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314591698 BMIVVUZRZGSYCR-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591897 HECFKVKLGCOXAY-RUZDIDTESA-N 586.035 7.131 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314610626 KJTNTTLKFWRFPN-MRXNPFEDSA-N 513.421 6.362 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617265 UZKNVLNTTOGYCJ-UHFFFAOYSA-N 544.680 6.486 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)nc2c1 2331046576 VXJTZJKPRGDEDO-UHFFFAOYSA-N 536.371 6.081 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1OC 2331242345 QOLQNMLMQOUAPN-UHFFFAOYSA-N 515.591 5.706 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1OC 2331281053 BLTHXOXSWBCFGS-UHFFFAOYSA-N 514.357 6.004 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331346752 IFZKTRYCDZFGBB-UHFFFAOYSA-N 502.555 6.037 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1Cl 2331381157 QACJFWCQOVJVQE-UHFFFAOYSA-N 518.378 5.352 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OC(=O)c1ccccc1 2331443933 PSBZRVSSRJJFHU-UHFFFAOYSA-N 507.398 7.409 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1 2331445303 GSKPTJUWTCHXBT-UHFFFAOYSA-N 513.457 7.221 50 10 KKGE BrCC1(CSc2cc(I)ccc2Br)CCCCCC1 2338309930 DOCFLYYGGPAYLE-UHFFFAOYSA-N 518.096 6.881 50 10 KKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)c(F)c1F 2361193760 CCZIJZGVYPACNO-QGZVFWFLSA-N 504.115 7.069 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)sc2c1CCCC2 29492405 NYXAUBVHZAELMY-MVPSRKNZSA-N 600.744 7.705 50 10 KKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)nc2ccccc21 33385855 QMPNYVZLGUQEQY-QOMWVZHYSA-N 507.597 7.069 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 34878434 YLCJIZZSBXKRFP-LYIFJOSZSA-N 513.402 6.345 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822707 RALHQVJKKGVABF-GZZLJNBRSA-N 520.614 6.587 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 59304996 WZHUOANBIPXIDR-KCSSXMTESA-N 514.412 7.783 50 10 KKGE Cn1c(SCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nnc1-c1ccccc1 95725777 BHORVZPONJDGHW-MUFRIFMGSA-N 528.041 5.231 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 100452425 VJJHUMTVRYDINV-CNIQOEEMSA-N 551.868 6.799 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101243261 INSFIMUXLILDJM-BOFSBPENSA-N 551.756 7.456 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246345 IMRIBLHVMGKONI-KVILUOORSA-N 536.484 6.984 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101336177 DVOOXSXYLSRARH-ZTKZIYFRSA-N 552.675 6.126 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 101341314 KTOBFBNKOSLGOB-AJBULDERSA-N 600.675 5.972 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 101363623 VHUYSTPGAJVIOR-QUGAMOGWSA-N 533.422 6.164 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 101369159 RQERHRXJUAMSGV-QFIPXVFZSA-N 556.756 5.457 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374643 BDTDTMDLXHMRDQ-WRGVRERRSA-N 560.622 6.384 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 101376468 GJQIPVJMMINGAF-SANMLTNESA-N 533.968 6.255 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1 101377713 HFZDHBLSUVFOLB-HKBQPEDESA-N 526.633 6.547 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378700 ODFKWNMTJQBMOS-UMSFTDKQSA-N 574.677 7.580 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380811 FYCPRSUPHQQOTN-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382622 ILEIAMBEJHCHLQ-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccccc3Br)c(C)c2cc1Cl 101394106 WLJRPNGOZAVIKN-XMMPIXPASA-N 549.808 6.903 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OCC 101395679 KHWRHTWCLOREGK-YTTGMZPUSA-N 580.681 7.763 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)oc2c1 101398504 YEQVMVMNZKIXJD-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccc(F)cc12 101398924 RVIFQVUHMPCLQU-SSEXGKCCSA-N 615.444 8.204 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103706992 HSKOVXZVSYNGHY-KCSSXMTESA-N 552.725 6.788 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 103744750 IFDIZDQZEAOAEY-TWKHWXDSSA-N 564.643 6.589 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccc(OCc2ccc(OC)cc2)o1 103929174 JJKZQLHGYRIGTN-RBVDLZPWSA-N 581.098 5.541 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1ccc(Br)c(Cl)c1 129149858 ZVOQHVBYRRFHSM-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442273 DTQPAUBKXWLMTH-HKBQPEDESA-N 657.575 8.932 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150481789 KISHBCQNIDVKRE-NDEPHWFRSA-N 668.385 9.531 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 214276539 XKIGFKOEAQXMNP-YQYKVWLJSA-N 617.731 5.506 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214298268 WLUHOOQHKNTJQZ-YQYKVWLJSA-N 572.665 6.137 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 214386129 CVLPSUAGNMZYNY-NTFVMDSBSA-N 586.648 6.156 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)c(F)c1 234988535 UZHMXNKNVKSQAO-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE O=C(CCCCCCCCC(=O)NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O 245266142 IRYNUMADXJTYIC-UHFFFAOYSA-N 596.320 5.344 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccc(C)cc2)cc1 254306801 BKELJRYATVBPLA-UHFFFAOYSA-N 547.684 6.373 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=C(C)c2ccc3c(c2)Nc2ccccc2S3)c1 254519117 WEIXFFPHAUFAPW-UHFFFAOYSA-N 544.658 5.858 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccc(OC)cc2)cc1 254698126 NZOVJQPBVRJNLQ-UHFFFAOYSA-N 541.555 5.213 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2OCC)cc1 254818232 ASDBUQYOFQQVCK-UHFFFAOYSA-N 621.712 5.299 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cccc(Br)c2Cl)c1Br 312291070 PZMFNUKPBMPRBL-QMMMGPOBSA-N 513.398 7.430 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2ccc(Br)c(Cl)c2)C1 382688993 OUKFFXAAAGBAIU-VXGBXAGGSA-N 500.602 5.488 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@H](O)[C@]1(C)O 504782019 SGGANCFJEHZNCI-HNNJMFIASA-N 979.452 7.344 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589029 ZUFMOUFQBYZIHB-YLCIQSOJSA-N 885.088 9.507 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616591084 WUUPISRMPWBNRI-HENMIYIPSA-N 744.913 6.611 50 10 KKGE Fc1ccc2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1Br 689744304 NOZBPXZRLWVHMK-UHFFFAOYSA-N 514.870 6.812 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)sc1Br 721592144 FFYUPNDVMGJGIN-NSHDSACASA-N 550.879 6.670 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)Cc2ccccc2)cc1OC 1083859556 BIBUZEHAQPZJEU-UHFFFAOYSA-N 595.121 5.106 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 1084106547 UXRXGLOJVLVGCC-DEOSSOPVSA-N 659.202 7.460 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084296797 IWBVEDDWLAAZIR-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE COc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC 1084565345 PPSYQDKJOWVWPF-UHFFFAOYSA-N 568.251 6.125 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 1084593432 WPKOLLQHPORFDR-SRZZPIQSSA-N 534.399 6.018 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)C(=NOC(=O)[C@@]13CC[C@@](C(Br)Br)([C@@H]1Br)C3(C)C)C2 1772721783 CWODUSGLWSUECA-JJRMCPPGSA-N 554.161 6.418 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749576 NCACRXLOHNGEBN-UHFFFAOYSA-N 545.375 5.136 50 10 KKGE Cc1ccccc1COc1ccccc1C=NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 1772755286 ZCWZPNGMUCXPNA-UHFFFAOYSA-N 508.068 6.593 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 1848434283 BCNXKLAHNOFABR-FBPIAZGJSA-N 621.035 11.254 50 10 KKGE CSCO[C@H]1C[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@H]5[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C 1848441292 SMJCRHFKIDSFAT-MLDBPYSBSA-N 787.189 9.462 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865682477 PKJWJXYOLUMDJG-XMMPIXPASA-N 525.450 6.817 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cccc(Br)c1 1865683846 JKQVNWMEOQOFEA-JOCHJYFZSA-N 535.804 6.372 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 1865688223 NJLVVSHCNLQULK-SANMLTNESA-N 576.575 6.404 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865690065 HXLRYVQXCGDCFV-SSEXGKCCSA-N 542.639 7.098 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)c1O 1865696261 LIZQLPAGDUOVED-DEOSSOPVSA-N 557.448 5.910 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701339 SOBYRXBAIFANPX-LJQANCHMSA-N 560.246 5.282 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865701475 WKZKVARORZDIHS-XMMPIXPASA-N 550.968 6.709 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865701878 HFBVADRAEMFLBO-FQEVSTJZSA-N 519.930 5.807 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705138 NGLKTEOMUARWDC-RUZDIDTESA-N 547.442 6.860 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OC(=O)c1ccccc1 1865705223 OYMWBIZLIWQZKL-QHCPKHFHSA-N 564.495 5.535 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865708180 PWPLQNXXJDWLCV-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865708978 KNSQUXYTUHVQKP-PMERELPUSA-N 557.695 5.111 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866716040 BJFGPNZDAPOAJI-NSOVKSMOSA-N 515.654 6.266 50 10 KKGE C[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946123 LGBMTNYILNBIPE-HJPURHCSSA-N 526.431 5.631 50 10 KKGE CCC[C@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867129927 YWVJJSNFAJJMPN-KKSFZXQISA-N 518.477 5.838 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc(C)c(Br)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867243450 IQLGZJGDCHUVST-VWLOTQADSA-N 566.477 5.165 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CC2)c1 1868207231 KMFNLFZTKMMXEX-UHFFFAOYSA-N 521.690 6.994 50 10 KKGE Cn1cc([C@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)c2ccccc21 1868342231 OVVAHFFSLSHTOE-VWLOTQADSA-N 511.655 5.260 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccccc3OC)CC2)n1 1868388243 GPLFPYQMAWOFOR-UHFFFAOYSA-N 502.688 5.509 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 1872745226 YKLITGSQZJCPTD-FILYSXRDSA-N 512.418 6.620 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)CC1=O 1872757010 MGNHYWZLEZZGCQ-CGDDYCGFSA-N 508.043 6.497 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCl)C2CC2)cc1Br 1915154773 WQRACKABNZEVNQ-SFHVURJKSA-N 521.702 5.728 50 10 KKGE CC(F)(F)CCC[C@@H](Br)c1c(Br)sc(Br)c1Br 2023312720 YBOTYTXGTOBMQE-RXMQYKEDSA-N 519.869 7.297 50 10 KKGE CCOC(=O)OC(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 2052963903 ZKBZXONLPPXEAA-UHFFFAOYSA-N 532.394 6.915 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCOC1 2085494114 KEUIFEUSKHCCDE-NEPJUHHUSA-N 570.739 6.599 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)c1Br 2141474258 YPNGIHYAPLDGJJ-IYOAXTTFSA-N 578.762 7.075 50 10 KKGE Cn1nc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Br)c1Cl 2167043707 USWDLWIPAVMWMZ-RXMQYKEDSA-N 502.248 6.934 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Cl)cc(Br)c1 2203001879 NEGJFEBNIIEZJH-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE FC1(F)[C@@H]2COC[C@]21[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206395527 OWCWBJOJXZJOBX-DIMCTHFVSA-N 604.703 6.454 50 10 KKGE FC[C@]12C[C@]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206403191 XOIQFCASHLYRSU-AVGNSLFASA-N 600.740 6.691 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405802 QNKMWQCIVSGJSL-QPUJVOFHSA-N 574.354 5.984 50 10 KKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2ccc(Br)cc2I)C1 2207270547 BWNYIVFWWFBMCY-QWRGUYRKSA-N 515.027 5.126 50 10 KKGE BrCc1cc(Br)c(OC[C@H]2CC2(Br)Br)c(Br)c1 2213082003 FREFUGFFSSXMDM-SSDOTTSWSA-N 556.712 5.991 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(I)ccc2Br)c1C 2218787146 GUWSNQVOGUHMGA-LLVKDONJSA-N 520.455 6.823 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)c(C)c1Br 2235598606 IUSJFJMVWIVDMR-SNVBAGLBSA-N 550.314 6.462 50 10 KKGE COc1cc(Br)c([C@H](Br)Cc2ccccc2I)cc1C 2236016981 QXCGJOBGBXCYHL-CYBMUJFWSA-N 510.007 6.049 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CCCC2 2293031440 IWCRXXQLKGSYAE-UHFFFAOYSA-N 534.943 6.891 50 10 KKGE CCN(CC)C(=O)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2295110964 SCMGSAAKDFVODF-UHFFFAOYSA-N 522.585 5.668 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(I)ccc1F 2295278634 DXDHAYKBEUZZTG-ZDUSSCGKSA-N 534.388 6.339 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790050 KZLVVTOHMYILMN-OAQYLSRUSA-N 519.736 7.738 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 2297458716 ZEHCMHPRDWGWQS-JOCHJYFZSA-N 539.400 5.967 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cccc(I)c2)C1 2302689105 DLNFZQUYQXHJKK-GOSISDBHSA-N 557.210 5.013 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 2313511403 OHKOUHWCMLXSAN-UHFFFAOYSA-N 679.252 6.491 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(C)cc1 2313518181 QDTAFQOGQDGVJR-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccccc4)s3)o2)cc1 2314433292 LSAYKHNQIXLSGH-UHFFFAOYSA-N 559.647 7.872 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314448854 KZJTUPACCWKNIK-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592104 LYEFGRTZZOHZIE-VWLOTQADSA-N 536.484 7.182 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592374 RYMLUSVJTSYDDS-VWLOTQADSA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 2314616450 ATFQBWIGTJTZLW-UHFFFAOYSA-N 507.329 5.775 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C(C)=C(C#N)C2=O)cc1 2314617459 YSLRGZUWJKQVMH-UHFFFAOYSA-N 545.555 5.249 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314618847 VKNDLGDEGINHSA-UHFFFAOYSA-N 558.638 5.665 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314619788 FJAYOLMWHPEAKB-UHFFFAOYSA-N 521.375 6.504 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C(C)=C(C#N)C2=O)cc1 2314620412 PLMQGRQHQXDXDM-UHFFFAOYSA-N 528.612 5.691 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634623 POMYJXGLCZYNRL-PMERELPUSA-N 506.602 6.386 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 2314643354 VGQUOOLYKCSDQD-UMSFTDKQSA-N 574.633 6.428 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646882 SVAAFWSJTPWOMF-GDLZYMKVSA-N 632.742 5.635 50 10 KKGE Fc1cc([C@H](Br)c2sc(Cl)cc2I)c(Cl)cc1Cl 2326685968 QZGRNARHBMDGFJ-JTQLQIEISA-N 500.385 6.936 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccccc2)cs1 2331440311 CDAWMXSBLLQTAN-UHFFFAOYSA-N 500.623 8.032 50 10 KKGE Cc1c([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc(Cl)c1Cl 2339132401 SKCJRVURYBRUFV-SNVBAGLBSA-N 528.318 7.979 50 10 KKGE CCC1(CC)[C@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2350040174 RZPVARZAHZTHHU-ZIAGYGMSSA-N 502.028 5.913 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1ccc(Br)c(Cl)c1 2360427095 REAQHKKFZBXFJQ-LLVKDONJSA-N 526.252 7.795 50 10 KKGE COc1cc(C)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2365599183 URUMPXYLQFWLPT-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)cc1Br 13977048 YTIZDAAFCWOLHW-UHFFFAOYSA-N 503.249 5.003 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 14642250 SQOBTSSLPIPXND-GOSISDBHSA-N 511.416 5.235 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 38681872 QDGTZATVDDTISP-WJOKGBTCSA-N 516.597 6.431 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 59152648 NZQUWNOPMZQDEC-MEIHLTSWSA-N 504.634 6.147 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 59335595 VQMYNIGUNYKVEI-NDENLUEZSA-N 509.375 6.420 50 10 KKGE O=[P@@](CN(Cc1ccccc1)Cc1ccccc1)(OCCCl)N(Cc1ccccc1)Cc1ccccc1 97729774 RITPOWVASJIMSZ-QNGWXLTQSA-N 533.052 7.797 50 10 KKGE CC(C)(C)OC(=O)N1CC[C@@H](CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)C1 97947775 BCTOBFYGIUGYKA-HSZRJFAPSA-N 573.455 6.123 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1 100206238 QVBXNDZUNMUMHP-UHFFFAOYSA-N 538.442 5.274 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(Br)c2)cc1 100236031 MVMSVGLBHOZMSH-WIQDYGPDSA-N 604.339 6.462 50 10 KKGE N#C/C(=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 100409032 CSOFTGQESIQFAX-DHDCSXOGSA-N 504.330 5.874 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1OCC 101373753 NCCRREDBEQHGIF-KEEVHDRGSA-N 542.632 6.028 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)oc2cc(Br)ccc12 101394391 YYSWYMASDOFYOS-QFIPXVFZSA-N 570.226 7.248 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101398608 JAPITKCQGKKTCY-NDEPHWFRSA-N 617.485 8.364 50 10 KKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 101729510 SQFCHOSZVFEVPQ-MZZZYUEISA-N 530.577 5.318 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(Br)c1 101767547 KGVLMFIYLCKWLG-WKULSOCRSA-N 545.861 6.172 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1C 102933002 NIXDXONMDOLNCW-ODLFYWEKSA-N 592.355 6.752 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)o1 103540223 WGNAXMOGFPAXEN-WCMJOSRZSA-N 559.051 5.706 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1 103878264 BYAMOOSOYVQPAS-FJEPWZHXSA-N 578.260 7.454 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103882828 JVYOJZLCCPGVLC-LGUFXXKBSA-N 552.472 6.437 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 104952602 HTPRRVCXZRVVFG-BOPFTXTBSA-N 546.646 6.990 50 10 KKGE N#Cc1ccccc1COc1c(I)cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc1I 150382883 ORUWOEODZOQLRK-BCWDXYJZSA-N 665.269 5.310 50 10 KKGE CCCCCCOc1ccc(OCCOc2c(I)cc(/C=C(/C#N)c3nnc(NC(=O)c4ccccc4)s3)cc2OC)cc1 150397626 JYQDZUKIPOFASM-PLRJNAJWSA-N 724.621 7.885 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3/C(=N/S(=O)(=O)c3ccc(C)cc3)[C@@H](Br)[C@H]2Br)cc1 150401498 FLELJGYJBJTRIZ-RIVGSDRYSA-N 624.376 5.200 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 150460140 CRBDVPPWPRKCRK-HKBQPEDESA-N 631.512 7.807 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCc1ccccc1 150498663 OXJWDPWJFOCMKX-WCMJOSRZSA-N 631.017 7.489 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 214333483 WYXDBEGYTCIMSQ-RIRGPFDCSA-N 529.556 5.801 50 10 KKGE COC(=O)C[C@@H](O)C[C@@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1 215175013 WCJUVVBQCXVFLK-BBYKJUTGSA-N 573.822 7.345 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(OC)c3OC)[nH]n2)cc1 254295314 SHMVYTHKJZBWSA-UHFFFAOYSA-N 508.619 5.606 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(F)(F)F)n2-c2ccc(C)cc2)cc1 254496628 FPEZPXJDGKQUTE-UHFFFAOYSA-N 509.557 5.812 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 254518678 JIZCLVXOYRYMGU-HWSWJTIKSA-N 584.610 5.195 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)sc2c1CC[C@@H](C)C2 254823018 IXVZVXVGGWNFMC-HXUWFJFHSA-N 597.693 5.819 50 10 KKGE Cc1ccc(Cn2c(SCC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3ccccc32)cc1 254896104 BTIHKUDPJDUCAF-UHFFFAOYSA-N 542.749 6.936 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCCc1ccccc1 256028578 WEFFLZKUAIPAHC-UHFFFAOYSA-N 597.560 6.230 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cc(C)c(C)cc1C 256028624 YWMTVRRFRPENSF-UHFFFAOYSA-N 532.691 5.960 50 10 KKGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)cc1Br 311514741 SBHNCDBWGGMEAV-UHFFFAOYSA-N 583.816 6.843 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCCO)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504497667 SYROFTQISVVUNL-LBFZIJHGSA-N 641.058 8.827 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 616583126 ZFRWPAYPCFTQHK-OPYZDSKYSA-N 701.893 5.876 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)s1 688147523 RSMTYEFHLXBMEA-GFCCVEGCSA-N 580.905 6.508 50 10 KKGE CCOC(=O)COc1ccccc1C=NNC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 1082988588 YFOHBTXEPUCZAI-UHFFFAOYSA-N 570.278 5.114 50 10 KKGE O=C(CCCCCCCCC(=O)NN=Cc1c(Cl)cccc1Cl)NN=Cc1c(Cl)cccc1Cl 1083910287 POHFTBNFYHNQMB-UHFFFAOYSA-N 544.310 7.021 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083960885 JKLBUVSREWZFOW-UHFFFAOYSA-N 518.404 5.477 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(C)cc1 1084061616 QRHGEMWZYGQIOS-UHFFFAOYSA-N 586.280 7.008 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084120451 GOKANFQLKXXXEW-HSZRJFAPSA-N 556.413 5.299 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc2c(c1)OCO2 1084222497 TZFFNYUIIGADDE-UHFFFAOYSA-N 649.235 5.880 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084260611 UNOKMOSZMNCHLT-XHWIWGEHSA-N 524.640 5.638 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)cc1 1084562683 PYCYXNLKWXJLRP-UHFFFAOYSA-N 576.118 6.597 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084582746 POVLLCJDOPTOBV-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE Cc1ccc(-c2csc3ncn(CC(=O)N/N=C/c4cccc(OCc5ccccc5)c4)c(=O)c23)cc1 1860773394 XAHCOQSUDUGKFU-IBBHUPRXSA-N 508.603 5.163 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686221 SHTQNJHGKULQOJ-OAQYLSRUSA-N 523.807 6.726 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OCC 1865687012 HKLSYTYWXWKQGW-RUZDIDTESA-N 507.034 5.943 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865687048 IFVKEHSMZFKEKF-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688685 YGVYCHGUTICTAX-NDEPHWFRSA-N 532.575 6.126 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690073 ICTORSJLBCPBHD-VWLOTQADSA-N 527.422 5.994 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1 1865690380 PSMAVHWTOWOPRX-FQEVSTJZSA-N 502.924 6.332 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)cc1OCC 1865691553 VIDPXASJIHUALC-NDEPHWFRSA-N 551.647 6.129 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865691570 VQRRCQMJYOWVOH-RUZDIDTESA-N 512.972 6.174 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OC 1865696114 CMJVGLVDBBQMCI-NRFANRHFSA-N 532.950 6.009 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2sccc2C)C(C#N)=C(N)O3)cc1 1865699621 YMIQKEKHRWUUFC-OAQYLSRUSA-N 506.990 5.988 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702173 OTAIOWJOCLODMB-LJQANCHMSA-N 522.358 6.262 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1C 1865703509 WZGVOUDEBRCVTK-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1 1865706820 GGDVPWNXDXZTEH-HKBQPEDESA-N 555.657 6.982 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCC(=O)N(CC)CC)c(OCC)c1)C(C#N)=C(N)O2 1865707277 SIZHKFKGWISEMI-WJOKGBTCSA-N 579.701 5.842 50 10 KKGE CC[C@H](CC(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867138371 QOCRGMMSQIWQPT-IERDGZPVSA-N 550.544 5.791 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)nc(Cc3ccccc3)n2)cc1 1868208250 XNXWWQCHRBUVEL-SANMLTNESA-N 518.646 5.330 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@@H]3c3cn(C)c4ccccc34)n2)cc1 1868320441 KKXJRBOTYDNWSY-LJAQVGFWSA-N 545.672 5.938 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2cccc(Cl)c2)n1 1868342561 WBKPCWJELCJYCE-NDEPHWFRSA-N 526.109 7.896 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1923073437 WXWFLHRJBKFYOD-DTHBNOIPSA-N 505.541 7.969 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)cc(Br)c1 1924042161 YZVKZQWTMDORJF-RTHLEPHNSA-N 512.865 6.609 50 10 KKGE Cl[C@@H](c1csc2c1CCCC2)c1c(Br)sc(Br)c1Br 1924605693 VRSJGSGPLWDUGW-NSHDSACASA-N 505.522 7.304 50 10 KKGE C[C@@H]1CCO[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1951106200 VZXZRJYBWHSUTF-QYNIQEEDSA-N 511.899 6.287 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1ccc(Br)cc1Br 2024285713 ZAKGHHZUBANXJU-JTQLQIEISA-N 504.867 6.223 50 10 KKGE Fc1cc(Cn2nc(CBr)c(I)c2C(F)(F)F)ccc1C(F)(F)F 2079245357 CJKNPLAPZGSDFM-UHFFFAOYSA-N 531.007 5.608 50 10 KKGE CO[C@H]1C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@H]1OC 2118265857 COZPKMWJQWILGD-LKHWLPBLSA-N 541.925 5.912 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(Br)c(Br)s2)c(F)c1Cl 2136966965 OZHOYKYVLSNEPY-SECBINFHSA-N 515.826 7.295 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Cl)ccc2I)c1Br 2138850480 MLMMCRBBPHUVOW-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(Br)sc3Br)cc(Br)c2O1 2146630558 YBYJOFBIGLTMGB-SREIQFSDSA-N 545.916 6.843 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1Br 2201072662 KDOGMSKPCCPJOC-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2nn(C)c(Cl)c2Br)c1Br 2201079597 UCCSDHJKKTWCBS-JTQLQIEISA-N 550.314 6.462 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2I)c(Cl)c1Cl 2203434104 VZAKDKUWCNVVDV-LBPRGKRZSA-N 506.392 6.744 50 10 KKGE FC(F)(F)C1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396469 XKRYWBFHPPCGMB-UTNXVAPVSA-N 564.259 7.605 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCCC12CC2 2206396821 BFUFOHAMWBEQAS-CLAHSXSESA-N 550.354 7.987 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2226126159 PAMLQZNWIHBCHQ-LLVKDONJSA-N 661.671 8.353 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CCCN1Cc1ccccc1 2234055988 FMTMGPXFGDSZSY-GOEBONIOSA-N 511.689 6.526 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2sc(C)c(Br)c2C)c1Br 2234464458 NWKAWFWUFIKHSY-AWEZNQCLSA-N 545.960 7.754 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1csc(Br)c1 2260000349 YVTDHUHLJQVMGZ-SECBINFHSA-N 525.832 6.798 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)c(Br)s2)c(Br)c1Cl 2268261198 FWNVOWBXKSLBOL-JTQLQIEISA-N 509.872 7.026 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Cl 2277891435 ITROAGZTOSZMNC-QMMMGPOBSA-N 528.318 7.912 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Cl)c1csc(Br)c1Br 2277903568 UODWEFBDCAVADQ-SNVBAGLBSA-N 509.872 7.026 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(F)cccc2I)c1Br 2282787834 VBWDXZCOCUCKEB-OAHLLOKOSA-N 576.867 7.056 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2297458525 AMJOZWZOEILCKM-VWLOTQADSA-N 502.039 5.434 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Br)cc2)cc1 2297458631 NSQYQGBAHIFWQK-HSZRJFAPSA-N 587.326 7.129 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CCCC2 2297459090 LWYJBPMGHLUXSZ-UHFFFAOYSA-N 528.552 7.017 50 10 KKGE Fc1ccc([C@H](Br)c2sc(Cl)cc2I)c(Br)c1 2301084850 YGUCFPUCJOQTGJ-JTQLQIEISA-N 510.391 6.392 50 10 KKGE CCOc1cc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(Br)c(Br)c1O 2313656726 DWXDTJMRRDBSJW-UHFFFAOYSA-N 529.192 5.020 50 10 KKGE Fc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314450316 XZAWQIHHDTVEDI-LJQANCHMSA-N 529.041 7.414 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1c(Br)cccc1Br 2314454717 IMKFDLXBHHKSRU-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 2314486711 BNVACXCJZHSYHO-UHFFFAOYSA-N 561.417 6.562 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1ccc(Br)cc1I 2314506903 CZTMQBWMJOFPPW-JTQLQIEISA-N 540.873 7.215 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592981 FLRDWYYOMNAACD-JOCHJYFZSA-N 561.969 5.703 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OC)cc1 2314593319 LFCWSMNLCZTJHM-FQEVSTJZSA-N 521.948 5.096 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593702 RMWNRTSSSGZGIQ-VWLOTQADSA-N 535.591 6.065 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314611569 XKIGFKOEAQXMNP-UHFFFAOYSA-N 617.731 5.506 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314617163 RXYSNCNZNXXDDC-UHFFFAOYSA-N 520.633 6.171 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1F 2314643165 FSCSYFGDEFYIKH-MGBGTMOVSA-N 631.487 7.947 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cccc(Cl)c1Cl)C(=O)OC(C)(C)C 2317150096 ARHYKBWSQKZGEG-GOSISDBHSA-N 502.220 5.961 50 10 KKGE CC[C@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1)N1C(=O)c2ccccc2C1=O 2331254771 YKLITGSQZJCPTD-ZSEKCTLFSA-N 512.418 6.620 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)c(OC)c1 2331473397 SVTXJWUXVZPNKR-UHFFFAOYSA-N 504.611 7.624 50 10 KKGE COC(=O)c1c(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)sc(C(C)=CC#N)c1C 2331562526 MLPHECPJEKMOCJ-UHFFFAOYSA-N 515.635 6.572 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)C1CCC(CBr)CC1 2349859666 STJTYKDPPQRZMD-UHFFFAOYSA-N 501.044 5.439 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362239635 YPBQHSPNTCFKLN-LBPRGKRZSA-N 597.285 7.401 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nn(C)c(Cl)c1Br 2365190732 HTZBEYWOZZCPLG-QMMMGPOBSA-N 554.277 6.293 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCCCc2cc(Cl)cc(Cl)c2)CC1 2366932108 ATNNJTMGTUNZOJ-UHFFFAOYSA-N 528.258 6.147 50 10 KKGE Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1Cl 2336465 FWYKNXAYAOOBSF-HWBIBUKPSA-N 508.430 6.367 50 10 KKGE O=C(NC1CCCCC1)NN(C(=O)Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 3768099 DCXZBPPMUATFCY-UHFFFAOYSA-N 514.449 6.158 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14033026 HKWHNCYDROBMNR-OAHLLOKOSA-N 512.459 5.056 50 10 KKGE C/C(=N/NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1Cl 16136608 KFZMMVFTAGGTJB-MWLSYYOVSA-N 523.083 5.612 50 10 KKGE O=C(CCCCNc1c2ccccc2nc2ccccc12)Nc1ccc(N(CCCl)CCCl)cc1 38148131 AGZNWCVKATXLIR-UHFFFAOYSA-N 509.481 6.893 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccccc1Cl 39867470 WQKGYZQIEVNMME-UHFFFAOYSA-N 517.416 6.474 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39992908 MEKSWTCOJIWNHE-NBVRZTHBSA-N 504.468 5.614 50 10 KKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 96476416 UKVXODKGWZTOQW-NVNXTCNLSA-N 508.743 5.372 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccccc1I 97895633 VPMPPYHAUSWKQP-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1 100153641 SFPKRRIFSGVZCH-UHFFFAOYSA-N 513.432 5.792 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 100234804 RLMIWOCKJYGVPK-WGNDPNKDSA-N 555.425 5.089 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 100238537 GLFIWUGLYPBEGS-ORXHDORNSA-N 566.698 6.909 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245124 AQWRTCSNKAKIMX-OGCOBRASSA-N 538.456 6.375 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 101304930 XBIASZXACCRFGO-RDRPBHBLSA-N 558.613 6.344 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 101336242 FEXQRSKRVBWOFI-AJBULDERSA-N 621.137 7.179 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101337782 ISYUFTJBGZKRDN-OQIVHJAPSA-N 556.666 6.988 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 101340767 VFXVCUVBZBOPMI-CSWGWEJPSA-N 561.041 6.309 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 101363546 JJHDYMXECJTLJL-AREMUKBSSA-N 533.422 6.455 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc(C)c1Cl 101379908 VVWQFYLBHIXCHJ-WJOKGBTCSA-N 601.486 7.392 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379933 YFKPVXAOEMCYOM-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385680 LALBAJFGPSFTPE-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387968 QFSJDTBCLMJTGP-CZTRJMPPSA-N 618.730 7.687 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)oc2cc(Br)ccc12 101393800 CBOIHDJSJODQRO-GDLZYMKVSA-N 593.433 7.733 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1 101396841 VHTXRLAYHJDAIK-MHZLTWQESA-N 528.992 7.011 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610351 KBDJGLJSMPNSPN-YRRMYEEHSA-N 528.612 6.377 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc(C)c1Cl 101612496 KWRXPEZGLXHKMM-NDZAJKAJSA-N 549.838 6.620 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C(=O)OC)c1C 102924518 BVWOKZAAIZXHHJ-CPNJWEJPSA-N 503.605 6.273 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C(=O)OC)c1C 103633501 OTTPVZLEBVSKIQ-FMIVXFBMSA-N 522.435 6.427 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F 103878205 CJHRJTGEZIGDDE-ZSNJKBEMSA-N 612.499 7.706 50 10 KKGE Cc1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cc5c(ccc6ccccc65)oc4=O)cs3)o2)c([N+](=O)[O-])c1 104800026 FALWOQHDILPOKM-UYRXBGFRSA-N 531.549 7.611 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433695 PMXQTSCQHHVCMB-UMSFTDKQSA-N 669.561 9.080 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c1 161288662 ZWVQAIIATNWBQA-NSHDSACASA-N 503.879 6.828 50 10 KKGE O=C(Nc1cc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)cc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)c1)c1ccc([N+](=O)[O-])cc1 164271286 WRFNDAUADQGDGW-UHFFFAOYSA-N 804.680 7.558 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Cl 166986931 RUZOQJATEATLNB-LLVKDONJSA-N 509.872 7.073 50 10 KKGE CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206396589 UHJKEBVQMKLESU-SRIOMBLHSA-N 510.590 5.716 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 213425838 HODUUTHQNQITGS-OJVAIYOMSA-N 779.062 9.261 50 10 KKGE COC(=O)c1ccc(C)c(NC(=O)c2cc(N3CCC[C@H](CO[Si](C)(C)C(C)(C)C)C3)ccc2C)c1C 216496803 PCJARQBUUGUZDA-QHCPKHFHSA-N 524.778 6.889 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)s2)cc1Br 227835356 UXWKMELBSOBGKB-VIFPVBQESA-N 509.908 6.890 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(C)c2I)cc1Br 235927672 DXGICBUOFVQVIR-CQSZACIVSA-N 558.877 6.917 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccc(O)cc2)n1-c1ccccc1 252643809 ZXCPEXBHHCQGNI-GOSISDBHSA-N 521.046 5.178 50 10 KKGE CC(C)(C)c1cc(C=NNC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc(C(C)(C)C)c1O 254600662 HAVWRABFLCWQNG-UHFFFAOYSA-N 578.829 7.527 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1OCC 263627965 ZVMKGIIANKJEQH-GDLZYMKVSA-N 517.651 5.412 50 10 KKGE COc1cc(Br)ccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382708739 WAQBLILSAQLUEA-MAUKXSAKSA-N 530.200 5.245 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 605692910 CXIGRSVIJKSIQL-YTXIKFBQSA-N 500.928 10.418 50 10 KKGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)c(OC)c1 725398696 QKCAPZHAQJAWFN-UHFFFAOYSA-N 679.966 5.737 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725407043 NBXNTDFWUCYFPF-UHFFFAOYSA-N 597.568 6.870 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(F)cc1 725414064 FJDVQXZSXRUBSE-UHFFFAOYSA-N 523.656 5.315 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(F)cc1 1083917524 BIVSOHCRPKGKHM-UHFFFAOYSA-N 573.668 7.672 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084301121 IEWLALMZSCTXST-UHFFFAOYSA-N 671.013 6.653 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084382360 JSNNYBWWSJMWFL-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1 1084402073 RYYVQOGEZDZDPE-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084442185 XZQRUVWDTJHAQH-UHFFFAOYSA-N 527.506 5.276 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1 1084481332 OLZUERNGNQCOQN-UHFFFAOYSA-N 545.104 7.515 50 10 KKGE COc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc12 1084487260 AWSXRQIEIAHJQR-UHFFFAOYSA-N 534.366 5.862 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084507593 VBGYPJORGZIDQC-UHFFFAOYSA-N 657.532 6.143 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N 1084642536 BZNRGWWLOSZELQ-PCLIKHOPSA-N 571.475 5.554 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)c2)C1 1554268776 ICHWGOBIVMRYHR-BQQWPYPHSA-N 576.726 6.157 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1614653282 MXLHXIRGDYJAJN-QFNYJIRUSA-N 551.590 6.018 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)cc1)CCC2 1772743857 MGXKWYYQIAPUMZ-UHFFFAOYSA-N 552.812 6.242 50 10 KKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772747366 NYVHINBGZXGTSQ-UHFFFAOYSA-N 507.406 5.447 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccc(C)cc1 1772755398 FFTLOWQRGSPSHQ-UHFFFAOYSA-N 525.443 5.963 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 1848665435 HQCIIKWOMRRRPN-IXCHDFHXSA-N 521.624 8.723 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865681979 CIWQUDLFEVXNDC-SANMLTNESA-N 504.977 6.573 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686147 RGBCXVQXKYGKEO-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865689511 AXDUQHMBTYHYMY-MHZLTWQESA-N 525.052 7.039 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865693053 KVFMPTFGPHCZOY-AREMUKBSSA-N 575.040 6.415 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697451 STSCOWYGLOBXBT-SSEXGKCCSA-N 569.105 6.776 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697687 ZJCMAKIEELSECU-SSEXGKCCSA-N 569.105 6.776 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OC(=O)c1ccccc1 1865704750 CYUTXRNYEWGLEI-HSZRJFAPSA-N 546.505 5.396 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)ccc1O 1865706330 UANPUAJRPUGNAL-JOCHJYFZSA-N 515.367 5.234 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707577 ZYWWTULQWHZDIH-NDEPHWFRSA-N 524.068 6.723 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711730 GWULRTGYGOOPCA-HSZRJFAPSA-N 562.369 5.744 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712136 QCMBCPACWOZENS-PMERELPUSA-N 556.622 6.354 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866671229 CBFHSXCKHFRSHQ-RUZDIDTESA-N 526.618 5.141 50 10 KKGE Cc1nnc([C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c2cccc(Br)c2)o1 1867034768 OMSCGOIIVCIJSZ-JWQCQUIFSA-N 590.503 5.602 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5ccccc5[C@H]4C3)n2)cc1 1868320283 GQGODKJOYGIMGG-AREMUKBSSA-N 518.646 5.715 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)n2)c1 1868505832 LCECPVWBLWIIDG-RUZDIDTESA-N 547.606 7.829 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 1872745572 UCJSVCMEGXSRLQ-ULLSICJUSA-N 513.619 5.711 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)n2)c(OCC)c1 1872793619 KHDMPSWFNDZOJT-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 1872818210 SCIXLAQTHMBHOJ-PYCFMQQDSA-N 521.998 5.866 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCc1cc(Br)cc(Br)c1 1900366430 FDJGKMPLGPTHIK-INIZCTEOSA-N 563.068 5.447 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 1922888382 ZHWQAKWCKNTGBL-KRWDZBQOSA-N 531.107 7.645 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1coc(Br)c1 1923074130 HNFYZHAWJONYTJ-LURJTMIESA-N 514.258 6.766 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924585420 LHCDSPQBEKHGJC-VIFPVBQESA-N 519.878 6.529 50 10 KKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614765 QXILXHKSKKPQRB-NTSWFWBYSA-N 531.880 7.297 50 10 KKGE CN([C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)c1cccc2ccccc12)[S@@](=O)C(C)(C)C 2080780206 JJQYEZQPZNFFOF-ZSNWUXEMSA-N 667.855 9.513 50 10 KKGE Fc1cccc([C@@H](Br)c2ccc(Br)cc2Br)c1I 2083317677 INMXZBPUPGZCBU-LBPRGKRZSA-N 548.813 6.440 50 10 KKGE CC[C@H](C(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494266 KSQOWTNAGCAVLR-UHLUBPPHSA-N 526.332 7.699 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3cc(I)sn3)cc(Br)c2O1 2120030787 YCCGBXUITIRXSA-SREIQFSDSA-N 515.008 5.318 50 10 KKGE Clc1cccc(Cl)c1C[C@@H](Br)c1ccc(Br)cc1I 2142279733 UKSYWMNFAYDPLW-LLVKDONJSA-N 534.844 7.039 50 10 KKGE CC[C@]12CO[C@]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)(C1)C2 2206398171 ROJAANDGDKLMLK-MCIONIFRSA-N 552.326 6.976 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1ccc(I)cc1 2218598373 SSNBDEUGXXXOSJ-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE Fc1cccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222473169 RKCFTGGPMIAOLW-QMMMGPOBSA-N 521.869 6.853 50 10 KKGE COc1ccc([C@H](Br)c2sc(Br)cc2Br)c(Br)c1 2223964871 ZZOIAAHBYSRURQ-NSHDSACASA-N 519.878 6.529 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1Br 2225633392 JHAAPEVFBRFZIB-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1ccc2c(c1Br)CCO2 2238083351 XOAZUUJUJYKKLL-OAHLLOKOSA-N 572.860 6.235 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Cl)c(Br)s2)cc1I 2248216357 RNEXVMLCUUDRKG-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(Br)c1 2260000351 YVTDHUHLJQVMGZ-VIFPVBQESA-N 525.832 6.798 50 10 KKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2293202154 LEADKKXAWNGNHQ-UHFFFAOYSA-N 528.505 7.936 50 10 KKGE COc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc1I 2294155932 JBZASAGYOCJBLT-UHFFFAOYSA-N 564.548 5.103 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCOC(=O)COCC(=O)O)C[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819133 LWCXCQDTDVSQAT-ZAWSAQNBSA-N 817.354 12.690 50 10 KKGE CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)C=C(C#N)c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 2297748752 PNQKCDFOTMDGCU-SMRIDXHDSA-N 681.845 8.836 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2O[C@H]3CC[C@H]2C3)c1Br 2307417363 KZYOIIZVDQGGMI-PGLSMWOHSA-N 509.883 6.039 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2313570789 GIMHLHNBXNHPGL-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE Cn1nc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1Cl 2314455460 OZRAHVQSDRNRLZ-HNNXBMFYSA-N 505.037 6.553 50 10 KKGE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccccc3)c2)C1 2314479455 XEIMDICQGLNRNX-QHCPKHFHSA-N 572.712 5.298 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 2314482229 CPOXJGZKAIDLAS-PMERELPUSA-N 513.557 6.496 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)C(C)=C(C#N)C1=O 2314611466 USQSJEOTYRXMAD-UHFFFAOYSA-N 540.639 6.640 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314616616 FUDQFHWQMMPJLM-UHFFFAOYSA-N 689.555 7.946 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314617062 QBPTYEPNLGRECM-UHFFFAOYSA-N 506.602 5.808 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314618553 PLAIUCCWLUVSKI-HXUWFJFHSA-N 527.584 5.050 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620991 XYXLMBTZVJFFOP-UHFFFAOYSA-N 543.019 5.771 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 2314640695 OKMOSDFLGOYASO-UUWRZZSWSA-N 556.662 7.400 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 2314646970 XGZHDNBNHBPCEO-HKBQPEDESA-N 731.230 6.697 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2314735777 CNJADHPJOLEXOM-UHFFFAOYSA-N 506.584 6.232 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccncc1 2321730178 SFKWHQBAFPGTRU-UHFFFAOYSA-N 507.981 5.931 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331246198 MJWBEQMWUFPHAS-UHFFFAOYSA-N 516.579 5.930 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 2331376999 UMKFFVXTNBVNAH-WBVHZDCISA-N 510.015 5.883 50 10 KKGE C=CCOC(=O)NCCCC[C@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2333248770 ZFWAEVQMHYNGJL-AJQTZOPKSA-N 747.802 5.716 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2scc(Br)c2C)c1Br 2365230413 IQSPRFARVIKTCD-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1ccccc1I)CCCO2 2369641352 YLJGJMKHJBLYFS-INIZCTEOSA-N 507.991 5.863 50 10 KKGE Clc1cc(Br)c(OCc2cc(I)ccc2Cl)c(CBr)c1 2380452968 NCJHCSDHPOAFPB-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE Cc1ccc(CBr)c(OCc2ccc(Cl)cc2I)c1Br 2380678416 DXPPEJSFIQPGKZ-UHFFFAOYSA-N 530.425 6.489 50 10 KKGE C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14665879 VPRWQQUWHSDEAU-FQEVSTJZSA-N 515.654 5.762 50 10 KKGE CCCN(C(=O)[C@@H](Cl)c1ccccc1)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 16426653 PEWVNASHGBUZOO-UIOOFZCWSA-N 504.030 6.064 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 33911195 ZESMHPARGCRFBX-YJXIZENRSA-N 529.593 5.764 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 38660874 JGNMGJPJCRDXKK-PMERELPUSA-N 516.553 6.481 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1c(F)cccc1Cl 38700584 BXIRULVCHHYMPY-HXUWFJFHSA-N 511.361 6.785 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NC(=S)NNC(=O)c1sc2ccccc2c1Cl 100079210 RMIVJDHGVAFWSE-UHFFFAOYSA-N 548.871 5.185 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227679 UBCGJHNHNFQTPF-XDHOZWIPSA-N 569.355 5.723 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3C#N)cc2Br)cc1 100233356 UDNUFWSHGZVQMS-APTYXWLQSA-N 566.452 5.271 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 100236770 XRKPBEDEWILADT-DTWZTBRYSA-N 526.420 5.807 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 100237067 VQHDUBUKPIHYFU-DNXMXBSFSA-N 555.027 5.409 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100336573 TUIWTNVATUQKJC-JAIQZWGSSA-N 569.355 5.010 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C/C3=Cc4ccccc4O[C@H]3C)sc2NC(=O)c2ccc(Br)cc2)cc1 100919857 QGOFITZDPLJXSH-JWGRYVKWSA-N 568.496 7.905 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034102 QYXSQTJKXQAFSE-WOJGMQOQSA-N 541.415 8.701 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241586 NNJXTOCBQJZYLP-QAKHZNQRSA-N 500.451 5.845 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1Cl 101364738 HGRPUIFPCOSXFQ-QFIPXVFZSA-N 526.332 5.738 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc2ccccc12 101366208 TTXFCXFAWXSTPW-NRFANRHFSA-N 538.428 5.738 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c1 101376372 GONNATMBEANKNV-WJOKGBTCSA-N 540.660 6.756 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379165 IPEHUVFJRCGOGZ-PMERELPUSA-N 573.432 6.775 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101390790 MEJAFZAAYWDSSK-AREMUKBSSA-N 545.060 7.479 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101395885 IYIDMCIJUXBRTH-LJAQVGFWSA-N 603.140 8.350 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)cc3)sc2c1 101397526 IIDVBHCPAQIMLN-GDLZYMKVSA-N 613.522 8.533 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1Cl 101398241 GQTVJYXTZSKXDA-HKBQPEDESA-N 615.513 8.107 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399302 DSZPFMQWEWFRLN-YTTGMZPUSA-N 607.062 7.728 50 10 KKGE C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C/C1=N/NC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 101658288 VXLVRWWWBQOCCJ-YTPQDKLYSA-N 541.605 5.868 50 10 KKGE biogenic CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1 102665395 ITKQOZGYGWNQDW-ULJHMMPZSA-N 538.625 6.725 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OCCOC)c1C 102924663 MIEFKUDFNOKDEJ-XMHGGMMESA-N 525.652 5.699 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 103741760 SPPWPBXOMJUVOK-WYNXXQNUSA-N 544.438 6.417 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 150432221 ZAMKZJQGPVHFMG-RQUFEXHESA-N 652.529 6.785 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 214405400 JUSOOXFRTJJUOU-QRQIAZFYSA-N 532.575 5.870 50 10 KKGE COC(=O)c1ccc(C)c(NC(=O)c2cc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc3ccccc23)c1C 216501438 REFIOUTVFHKRSL-UHFFFAOYSA-N 546.784 7.486 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)ccc2I)c(F)c1 236224386 QLSQZICUTBURTG-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE COc1c(Br)cc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1Br 252628532 SSHKZMIMPSNHQA-ODGFRZALSA-N 634.756 5.861 50 10 KKGE O=C(NN=Cc1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 252632436 VTGRCDPJIRJVRH-UHFFFAOYSA-N 542.635 7.188 50 10 KKGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253579648 ZWPIBKDXRWIWSL-WUZYOQQESA-N 598.736 5.779 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254305145 BKVGTLFOQVEQSA-UHFFFAOYSA-N 589.765 7.362 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2C2CCCCC2)cc1 254309685 YCGABPYAYFGVSK-UHFFFAOYSA-N 501.578 6.020 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 254487770 KYEXLENTJZPASJ-UHFFFAOYSA-N 584.673 5.236 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 254618876 HPXGDDNRHPLBIT-UHFFFAOYSA-N 640.744 6.270 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c1C 254815549 VMWLHIJSZBWVEA-UHFFFAOYSA-N 550.644 6.942 50 10 KKGE CC(C)(C)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254846341 RLPOBRCIJQTGCN-UHFFFAOYSA-N 525.722 6.772 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1 254849899 YYXQEEKLCOQUNK-UHFFFAOYSA-N 537.611 6.493 50 10 KKGE Clc1ccc(COc2c(Br)cc(Br)cc2CBr)c(Cl)c1 380369779 LYSBFCJXXIXFGE-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Clc1ccc(I)c(C[C@@H](CBr)Cc2cccc(Br)c2)c1 405357038 ZASYCOWQHYQTHH-LBPRGKRZSA-N 528.453 6.503 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@H](OCCCCCN(Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1 575449013 FCOQGJJPERRCOF-UFPLGCMVSA-N 843.110 8.939 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccccc2Br)cc1Br 692439756 LHZLUQZFEUOJBR-HNNXBMFYSA-N 511.877 6.961 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Br)c2)cc1Br 721591012 ZNMFYOKLONJYBI-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE C=CC(=O)OCc1cccc(CC[Si](C)(C)O[Si](C)(C)CCc2cccc(COC(=O)C=C)c2)c1 1073234600 DXVGJWHFQLIBPO-UHFFFAOYSA-N 510.779 6.357 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2/C(=C\[C@@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@]21C 1083138968 ZARWZJUOPFZIOB-NWWRBPCMSA-N 637.088 8.632 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 1083817529 LAVSLNMQPNHPSL-XJIHQHRMSA-N 697.001 9.876 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1083952898 ROGCGUXDHRUANA-RQZCQDPDSA-N 546.794 7.078 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 1084082555 PPWMYSIJPZSYLE-UHFFFAOYSA-N 506.591 5.364 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1 1084113261 KSZYXZSQADMWAU-UHFFFAOYSA-N 578.510 7.867 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc(O)c4)c3C)sc3c2CCCC3)cc1 1084477226 RCRHISSEFJPEIJ-UHFFFAOYSA-N 526.662 6.065 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084516616 QHUXFJSGIJUGCI-UHFFFAOYSA-N 554.594 5.459 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 1084541763 YNZWKHFZQXDICN-NDEPHWFRSA-N 638.502 6.395 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084548112 RATVOSKTDVQQKG-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OCC)c2)ccc1OC(=O)c1ccccc1 1772719819 ZJAIBYAIXHNHCR-UHFFFAOYSA-N 678.742 6.083 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1848436862 IUUKMHXZWKEFMJ-LJWNLINESA-N 923.202 6.051 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1OC 1865692500 MRTLVBDOVPZOBM-HSZRJFAPSA-N 567.484 6.137 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccc(Cl)cc1 1865701020 JWXIWLPAALJSEW-MUUNZHRXSA-N 562.029 6.393 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705411 VEAFCUNGLUUART-LJAQVGFWSA-N 538.607 6.344 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705586 ZQIRWUKUSBTRNT-MUUNZHRXSA-N 559.025 6.689 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c3c2CCC3)c2ccccc2)cc1 1866854990 YFOMEPVGMLCVPV-VWLOTQADSA-N 562.482 6.351 50 10 KKGE CSCC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867034276 MSHNQTPOSMPPEJ-NHCUHLMSSA-N 574.526 5.112 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432965 CLIFJKFGZLWGRO-NRFANRHFSA-N 576.147 6.804 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OC(C)=O)c(OC)c3)n2)c(OC)cc1Cl 1872754796 JQYYPHLFBOPINE-VFFXKLFPSA-N 512.971 5.921 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)c1 1872755075 XILNAVSOUZFYKR-NOAXNCOGSA-N 517.607 5.952 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 1872756179 SYKZMEUSPPVBFZ-QNPMFDGYSA-N 500.363 5.603 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCc1ccc(C)cc1 1872795338 ZTFXCTOLXJMTDO-LFVJCYFKSA-N 518.638 7.932 50 10 KKGE Cc1oc(C)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924591919 VIORNIAUKAWBII-SECBINFHSA-N 521.894 7.038 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC12CC2 2025779603 JQUVDXFZKLUEPT-DYEAUMGKSA-N 508.273 6.817 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCC[C@@H]3C[C@H]23)c1Br 2057347022 RXCKJGXTTQBTDH-RYPBNFRJSA-N 521.938 7.298 50 10 KKGE C[C@@H](CC(C)(C)C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467641 ACJODSQUZYLLEK-CPFSXVBKSA-N 540.359 8.089 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3csc(Br)c3Br)c1)OCCC2 2150336341 IURPFZMMEBGKBN-LLVKDONJSA-N 545.916 6.845 50 10 KKGE CN(C[C@H]1CCCCN1Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br 2179792135 BRFALJVJLNVFMM-MRXNPFEDSA-N 536.355 5.081 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)c(Cl)c1Cl 2232518970 IDYGJGSAHAFIBI-NSHDSACASA-N 542.707 8.263 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)cc1F 2233974377 FIXVVWFVGIPHHY-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE COc1cc([C@@H](Br)c2scc(Br)c2Cl)c(OC)cc1Br 2279288270 PVNFVSPCVMWLSH-LLVKDONJSA-N 505.453 6.428 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Br)c2c(c1)CCO2 2282787150 NDDAUXVVFBHJHU-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Cc1ccc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1 2288348681 HTTJWFLVJSWHGH-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccc(Cl)cc1 2297559698 AIJIEOHJLQVBFU-UHFFFAOYSA-N 507.930 5.780 50 10 KKGE CCOc1cc(C=NNC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccc(Br)cc1 2297708175 LUMZCTZCYXICTJ-UHFFFAOYSA-N 570.396 5.121 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1 2313567395 JSUYLWJRXXKKLH-UHFFFAOYSA-N 608.217 5.623 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2Cl)c(I)c1 2313568159 SKFMQOAVLGRWOW-UHFFFAOYSA-N 592.602 5.123 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568772 YMMLYJRDQSBTET-UHFFFAOYSA-N 554.847 6.076 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1 2313630312 FPPYEPUUDGNRKW-UHFFFAOYSA-N 501.583 6.161 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1c(Cl)cccc1Cl 2313631638 TWCVGXHEKQOSFC-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314478478 NLLQPJHZQBXLDO-UHFFFAOYSA-N 566.082 7.419 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314572055 RKWQGWUTRLUSLA-UHFFFAOYSA-N 535.831 7.731 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 2314646988 XVGWTYSVFXKGIV-WJOKGBTCSA-N 714.775 6.183 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(C(C)C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320488215 BJTBDWDDBYYLFC-UHFFFAOYSA-N 516.692 5.985 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)CC1=O 2331391788 DYMCEWCLAQTATH-SFHVURJKSA-N 508.043 6.497 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4OC)cs3)cc2C1=O 2331412665 SYAPUDGTXIHYDR-CQSZACIVSA-N 519.579 5.180 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1c(F)cc(Br)c(F)c1Br 2337275939 AYBNGGGZNYJCHN-QMMMGPOBSA-N 523.795 5.470 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N[C@@H](CCCl)COCc2ccccc2)cc1Br 2343788980 OLVGYSFDPOJLSO-HNNXBMFYSA-N 525.690 5.013 50 10 KKGE BrC[C@]1(Cc2ccc(I)c(Br)c2)CCO[C@@H]1C1CC1 2349839644 JJRHVLWKYVEDGV-HUUCEWRRSA-N 500.012 5.176 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2364225906 DUSVXERJTCMWSF-QMMMGPOBSA-N 574.695 6.591 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cnn(C)c2I)c1Br 2365231544 NFYDBGWJLPWFJA-SNVBAGLBSA-N 578.868 5.351 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(Cl)c(OC)c(Cl)c1)C(=O)OC(C)(C)C 2365730858 CUNMAUCAOKURGI-IBGZPJMESA-N 532.246 5.969 50 10 KKGE Brc1cc(CO[C@H]2C[C@H](Br)C23CCCCC3)ccc1I 2377596624 YPMBUJVLYDUKQT-GJZGRUSLSA-N 514.039 6.057 50 10 KKGE Cc1cccc([C@H](CBr)OCc2ccc(I)c(Br)c2)c1 2377609789 AQYHSSAVSLMEHV-INIZCTEOSA-N 510.007 6.015 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 2342210 ZHZVOJPFAFSIBF-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2751857 FUUONQWXFLFCBI-GTNUZBGFSA-N 553.460 6.763 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 8456044 AJAQKWMFKZGIDZ-RPWUZVMVSA-N 562.686 7.052 50 10 KKGE COc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)c1 13510808 UIRKWXYWSFDKLT-YKMWHWIESA-N 518.038 6.030 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)c(=O)n(-c2ccccc2)n1C 29491660 DYLKAXBAEUJYTC-SGWCAAJKSA-N 661.788 5.303 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccc(OC(F)F)cc1 33725386 JBTRUMZNDUORGH-HZKYKWALSA-N 522.508 5.048 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651550 KAFMABPYKOSQJJ-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1 38686782 HPCIDJPAQHITAG-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811792 FTPMMRJMBGGOQB-JVWAILMASA-N 501.768 5.122 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 58894875 SXUWHSFGAVYWPQ-TZMKENEKSA-N 511.018 5.680 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C/c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCCl)s1 101035789 NRIWUQMKXXOYDF-FXBPSFAMSA-N 579.213 6.431 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246258 YXLGQZHXFYPXBO-KVILUOORSA-N 552.483 6.766 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101333072 RDNNQWURKZCEKL-VUTHCHCSSA-N 560.629 6.650 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101336458 RQBKJHKPLFHNSQ-LQKURTRISA-N 529.600 5.514 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101337771 KCZRDQUBWKLNKP-HJUYBJLJSA-N 554.650 6.525 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 101340459 ZEKLNPZZJJPADD-CVKSISIWSA-N 550.565 6.009 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 101341560 NGTSLHHJNLSLID-TWKHWXDSSA-N 596.684 5.199 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 101377638 KAPXNWLDUMFXMO-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381151 WAKNJCMSDXTMDC-IAEXUVPISA-N 583.471 7.718 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383624 QSGCKBOBNQGCSO-SSEXGKCCSA-N 601.428 6.370 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(F)cc1 101391672 AUXBWZHHRTZKLD-HXUWFJFHSA-N 545.806 7.438 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 101393037 QSQZMBBBGVHQRG-LJAQVGFWSA-N 538.600 6.675 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 101395662 SRMHYOAJHFRHHC-SSEXGKCCSA-N 552.627 7.146 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc(Br)c1OCc1ccccc1 103563306 HQTQEJUBWDTEKH-FMFFXOCNSA-N 586.486 6.372 50 10 KKGE CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 103806516 LPKQQQZNQYJQGM-NHAAEVGLSA-N 565.677 5.676 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 103878967 ZSVOAJMCJWPECA-ODNPBWNPSA-N 598.486 7.801 50 10 KKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105069512 DFJYPKLCBSDCRD-CCVNUDIWSA-N 536.253 6.888 50 10 KKGE O=C(/C=C\c1ccccc1)NC(=S)Nc1ccc(SSc2ccc(NC(=S)NC(=O)/C=C\c3ccccc3)cc2)cc1 150646554 ZKXMHSPYCHILJH-IINORCHSSA-N 626.854 7.539 50 10 KKGE CC[C@]1(C)[C@@H](Br)C[C@H]1Oc1c(I)cc(I)cc1I 155256980 UZDZMDLWOSZPDM-DMDPSCGWSA-N 646.870 5.831 50 10 KKGE CCOc1cc(/C=C(\C#N)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 197732767 QPFZGZDBFKEEDU-UDWIEESQSA-N 526.330 6.241 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214346009 IZFIXULRKGUAFT-IMRQLAEWSA-N 573.609 5.681 50 10 KKGE Cl[C@H](c1cc(Br)sc1Br)c1csc2c(Br)cccc12 236038693 NUKXNWPWPDEYSO-LLVKDONJSA-N 501.490 7.579 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)c1 236051510 SOUNCUKXSYHKCP-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2I)cc1F 236213690 MCWQFSWAPCDZSM-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)cc1F 236256113 BDGGULORDFEMLX-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE O=C(CSc1nc2scc(-c3ccc(Br)cc3)c2c(=O)n1-c1ccccc1)NN=Cc1ccccc1O 252641303 ZBNXYMFCEGPPQD-UHFFFAOYSA-N 591.512 5.825 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(CCc1ccccc1)CCc1ccccc1 253576914 WKUDHDIPCAIQLC-XMMPIXPASA-N 587.193 6.948 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)sc2c1CCCC2 254815996 JDWHXFYLSJTNHU-UHFFFAOYSA-N 613.692 5.664 50 10 KKGE CCc1ccc2c(c1)C(=NNC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2CC 254840483 DMFPTVNSWIDVQP-UHFFFAOYSA-N 566.665 6.067 50 10 KKGE C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019028 HAWJBDFOEJGWTO-KLRFSYFPSA-N 520.103 5.650 50 10 KKGE CCCCCCCCCCC[C@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)O[Si](C(C)C)(C(C)C)C(C)C 306146730 NQGNRUOAOBYLJG-IDZRBWSNSA-N 510.920 10.370 50 10 KKGE Fc1ccc([C@@H](Br)c2cc3c(cc2Br)OCC3)c(I)c1 308409791 CIFWBSXMUVNTMR-OAHLLOKOSA-N 511.954 5.612 50 10 KKGE Clc1cc(I)c(Oc2ccccc2CBr)c(I)c1 310720619 ICGKTUXWPVKOOP-UHFFFAOYSA-N 549.371 6.236 50 10 KKGE Brc1cc(Br)cc([C@@H](Br)c2cc(I)cc3c2OCC3)c1 312347003 MCUNAINBLVNDKW-CQSZACIVSA-N 572.860 6.235 50 10 KKGE Clc1cccc(Cl)c1COc1c(Br)cc(Br)cc1CBr 380143340 VVRHWNJHVXXADK-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(Cl)c(Cl)c1Cl 405077175 KFLRKMCAZALIPF-JTQLQIEISA-N 542.707 8.310 50 10 KKGE CCCCCCCCC/C=C\CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)NC(=O)OC(C)(C)C 888086379 IXYPODBKCGLJAC-VWRTZWQDSA-N 511.864 8.296 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 1083900700 MIPRBYZPTRZOQQ-RUZDIDTESA-N 545.463 6.334 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 1083915700 ZSHRUPISCDWNIO-QFIPXVFZSA-N 615.149 7.061 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1083921694 GQZLZKYIBVUTLZ-HKBQPEDESA-N 544.611 6.683 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl 1083967228 MORRNWSFCJNFRX-MHWRWJLKSA-N 520.185 7.020 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 1083971207 ATFQIHYHTCOXFD-UHFFFAOYSA-N 514.050 7.039 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084010526 PXGFPSJNBKVVND-QFIPXVFZSA-N 536.253 6.299 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccc(C)cc2)cc1Br 1084216223 YKFDMDOEBQTUTI-UHFFFAOYSA-N 678.436 6.826 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 1084309259 XGOKBHLAGPTYNO-DEOSSOPVSA-N 559.432 5.538 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084343216 KFSHRMXLBLJKFY-UHFFFAOYSA-N 575.200 6.143 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1 1084370568 PMXYCYRWGNDYTP-XQNSMLJCSA-N 534.397 6.453 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084394268 RLVCBUUQJUWILT-UHFFFAOYSA-N 522.399 5.461 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=Cc1c2ccccc2cc2ccccc12 1084627940 BBDIELFOPWSPNN-UHFFFAOYSA-N 520.662 5.933 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)ccc2Cl)[C@@H](CI)C1 1614624751 DUFHNHJTNLSJNH-YOEHRIQHSA-N 523.720 6.146 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683466 FECWYXODZUJLJR-FQEVSTJZSA-N 501.787 5.657 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684825 ZLGGYTUWYYOEBR-QHCPKHFHSA-N 565.830 6.380 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865687636 WLXIRFALCRRBRB-RUZDIDTESA-N 541.479 6.596 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865693155 HTSQAJNSSWUNBU-WJOKGBTCSA-N 572.640 6.933 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)c1 1865694286 SLURJYKCHIVSRQ-RUZDIDTESA-N 512.997 6.208 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@@H]1c1cc(Br)ccc1O 1865695708 GTJRDXAUQNMSPP-MRXNPFEDSA-N 543.702 5.429 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2Cl)cc1OC 1865695974 AZFFUSRSNFQXTJ-NRFANRHFSA-N 532.950 6.009 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697182 OUHHXGLBXSTGMW-PMERELPUSA-N 550.659 6.072 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700799 DNSISICPMPCRSR-MHZLTWQESA-N 545.470 6.906 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706106 NULDMNOVGVLVDA-DEOSSOPVSA-N 549.414 5.846 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865712006 NNWQLYQJIHXHGK-AREMUKBSSA-N 559.022 5.504 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc(C(=O)OCCc2ccccc2)c1C 1866126856 SIVNTIZXLJCOLW-LTGZKZEYSA-N 518.591 5.187 50 10 KKGE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C2CCCC2)cc1 1867009066 DFFBNNDEDKLIQU-XZWHSSHBSA-N 571.699 5.834 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@H]2c2ccccc2)n1 1868388327 IQTBMAGBAFTBRU-JGCGQSQUSA-N 519.718 8.021 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CN4CCOCC4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433888 UDXCHGTVHPIXEI-UHFFFAOYSA-N 521.090 5.662 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)ccc1OCC(=O)N(CC)CC 1872794623 MRUCUSNDKAUDND-GZTJUZNOSA-N 502.061 6.235 50 10 KKGE Cc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1I 1923054602 HPBNGUWMRMUBRY-QMMMGPOBSA-N 540.873 7.168 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1sccc1I 1923071486 JBPZDOYFCSKBGR-RXMQYKEDSA-N 577.326 7.077 50 10 KKGE Clc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579980 MSBDXPNNWGLUIF-RXMQYKEDSA-N 530.326 7.235 50 10 KKGE O=S1(=O)CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924616003 JSAZVZPTHQYOAJ-FSPLSTOPSA-N 545.938 5.296 50 10 KKGE Cc1csc([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2024283353 PBJLPUYOWXBJPB-NSHDSACASA-N 503.879 6.828 50 10 KKGE O=C(C=Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 2042446222 AWOKARDRFBZWAD-UHFFFAOYSA-N 596.492 5.848 50 10 KKGE C[N+]1=C(C=CC2=CC(=CC=C3N(CCCCCC(=O)NN)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21 2069656786 GLWIYGROYDUTNJ-UHFFFAOYSA-O 663.930 9.824 50 10 KKGE COc1ccc([C@@H](c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)N(C)[S@@](=O)C(C)(C)C)cc1 2080770464 GHNPMEYVIRKQLF-GCQSKGKTSA-N 647.821 8.368 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cscc2Br)c1Br 2081053943 DRJNMTQXHMGTSW-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 2082377146 NZVRNQOIHXEXPK-NSHDSACASA-N 538.324 7.482 50 10 KKGE C[C@H]1[C@@H](C)N(c2c(CBr)ccc(Br)c2Cl)C[C@@H](C)N1Cc1ccccc1 2098108041 AQSYDAUXSRWWBZ-OWCLPIDISA-N 500.706 6.485 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)ccc2I)c1Br 2138866972 VZUVTKWOUWFILC-AWEZNQCLSA-N 579.295 7.215 50 10 KKGE FC1(F)CC2(C[C@H]2[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397609 LERFXASNWLZBLG-ULHQUTTKSA-N 558.280 7.452 50 10 KKGE CC1(C)C[C@]1(Cl)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2222046452 AAMPULBINHDCJW-JQWIXIFHSA-N 544.734 7.424 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Cl)s1 2224304930 OIZXUHGDPINUSV-QMMMGPOBSA-N 504.285 8.262 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(F)c1Br 2225632584 DFYIJZKQYLSSLH-GFCCVEGCSA-N 519.803 6.737 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1I 2248222436 ZOYGUAITISJJQY-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2277886379 ADUOLVLJJBTPTQ-QMMMGPOBSA-N 528.318 7.865 50 10 KKGE Cc1c([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)nn1C 2277951990 CCEOSPHMFGOAFH-LLVKDONJSA-N 515.869 5.695 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277958923 MLIMPKYELUOVPX-CYBMUJFWSA-N 532.295 7.306 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293038869 CSBRTGLNGXZZPA-UHFFFAOYSA-N 569.278 7.065 50 10 KKGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)[C@H]1Cl)c1ccc(Cl)cc1 2293308248 TZAHICNSZWGOQL-BGYRXZFFSA-N 576.310 5.578 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)cc2C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2295360295 WTVJUKKJMOETQD-UHFFFAOYSA-N 503.389 6.459 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296647836 IREVAUBIHAYWNP-UHFFFAOYSA-N 649.704 5.980 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCCC(=O)NN=Cc1ccc(F)cc1 2297640048 KCJSBLITNZYZPP-AREMUKBSSA-N 615.493 6.333 50 10 KKGE Clc1cc(I)c([C@H](Cl)Cc2ccccc2I)s1 2301089724 VLXXNHUPZBTFEE-MRVPVSSYSA-N 508.977 6.133 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566982 FPNNXMKEZYWHHU-UHFFFAOYSA-N 662.753 6.542 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cscc1OCc1ccccc1 2313741698 VTLFWNDTWNYMDF-MRXNPFEDSA-N 525.064 8.020 50 10 KKGE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314617650 NNMLNXXGAXZJLS-UHFFFAOYSA-N 532.575 5.870 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cnsc2Br)c(Cl)c1Cl 2315619429 HXJFPBFXCULMCD-SSDOTTSWSA-N 515.279 7.113 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)n1C 2315634062 UREAPBYSULGOJC-QGZVFWFLSA-N 529.070 6.317 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nc3ccccc3s2)cc1C 2321684656 DBZAXJQDONWJBG-UHFFFAOYSA-N 513.648 5.708 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 2328799981 ONRBZRIQPRZWES-UHFFFAOYSA-N 508.446 6.108 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)CCCN2C(=O)c3ccccc3C2=O)n1 2331362791 QOTRNUDKLGHGTG-UHFFFAOYSA-N 514.390 5.995 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2358264592 OREKFRWSFZPTJW-BRZHUMFSSA-N 550.310 6.440 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(I)c(Cl)c1 2365220756 XNEREJVGBCXNMU-GFCCVEGCSA-N 597.285 7.401 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)c1 2194113 TWXNGZCVJCHIPT-QPQMVVSWSA-N 518.436 5.823 50 10 KKGE COc1ccc(C=NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1cccc(Cl)c1Cl 8455950 ZOCYOQCMSSJFGU-GOTSBHOMSA-N 525.476 7.132 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)c(C(C)(C)C)c1 14661708 UDRIZZLWHPVTML-UHFFFAOYSA-N 522.473 5.534 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 38659598 PFTHMLHLBLZOQC-NDEPHWFRSA-N 514.578 5.566 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38681972 KVJYCZOASSSBJS-PMERELPUSA-N 528.605 5.857 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 38684761 JPANARGPVTZWCH-LJAQVGFWSA-N 510.634 6.990 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCCC)c2)cc1 38685156 WLXNZIKJNWRDHK-GDLZYMKVSA-N 512.606 6.482 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 38686531 BHIIQLOQEYVIRL-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814570 CKSNRVGGFDZNCC-NDZAJKAJSA-N 514.460 5.167 50 10 KKGE CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1 40912076 DASFVLODBFBTPI-ZVHZXABRSA-N 512.242 5.700 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1sc2ccccc2c1Cl 100078149 ICVXAEPLZDEDQY-UHFFFAOYSA-N 548.871 5.185 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207267 LDKTYKLFCOPHHV-IBGZPJMESA-N 584.536 5.299 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207472 SLSAPLQUIJZHNF-UHFFFAOYSA-N 604.526 5.452 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1c(Br)cc(Br)c3cccnc13)[C@@H]2Br 100961176 OWLZOZGEOQSXAK-LZQZEXGQSA-N 532.070 6.255 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 101246862 CZTFWGJTLUNPHS-AFXLCRDISA-N 552.483 6.684 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 101333040 JEOABYFJZFDVTP-TURZUDJPSA-N 536.676 6.665 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1Cl 101340530 YUHSBHJMTZPQNA-JVWAILMASA-N 581.047 6.913 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 101369012 MUUOTDWJWIOMFI-MHZLTWQESA-N 563.448 5.958 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369217 SIPWAJJMIGJCSQ-HHHXNRCGSA-N 539.385 6.679 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 101370399 MGDFWHCMDMLZFJ-DEOSSOPVSA-N 525.786 5.614 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OCC 101373924 BQJZVUGJOFLANN-XLYKILBFSA-N 540.616 6.110 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)ccc1Cl 101382930 YLHCNJOXKADFLF-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384261 NITQHTJARYXCJP-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386234 YIEBEYCHYFYWPH-YTTGMZPUSA-N 597.067 6.747 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387631 JFNFJMFURYQYLY-UMSFTDKQSA-N 588.704 7.708 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101388087 AEZMOBAJDHBNMU-SSEXGKCCSA-N 571.004 6.894 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCCC(C)C 101393397 XYVALNWFVZBEOI-WJOKGBTCSA-N 566.654 7.229 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 101396992 DZADMNMEUIQTPW-PMERELPUSA-N 536.628 7.310 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101398620 OFUZRJJKOAATEX-SSEXGKCCSA-N 560.537 5.948 50 10 KKGE C[C@@H](c1ccccc1)N(CCN([C@@H](C)c1ccccc1)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 101629355 TYRRWPJYBCYJPG-ZPGRZCPFSA-N 636.760 9.209 50 10 KKGE Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\CC(=O)CC(C)(C)C3)cc2)c(Br)c1 102357464 JYGJEQCEPGEERN-YZSQISJMSA-N 536.264 5.964 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C)C(=O)C(C#N)=C2c2ccccc2)cc1 102391270 VWWVIIOXTFMZAM-OVVQPSECSA-N 514.585 5.686 50 10 KKGE COC(=O)CS/C(Cl)=C(/NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102579670 JZMAPEXAWCUUEI-YCNYHXFESA-O 561.063 5.991 50 10 KKGE N#C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N 103371941 KPCOJTGZSUXZBL-RZNTYIFUSA-N 523.207 5.586 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 103742042 YLKGKXLIGGAWEI-GPSDDGMOSA-N 552.881 5.845 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 103878836 AEHPSZDTQWVLCZ-XICOUIIWSA-N 578.510 7.867 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 150382771 ICQCYPVWABIYEG-DHCNTSDESA-N 662.149 6.903 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1c(C)cc(Br)cc1Br 150409282 KPWQQXJMDOYZEG-UHFFFAOYSA-N 652.203 5.176 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485866 YGAJSSVKTSJCCA-BPJXYHRLSA-N 645.539 7.734 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2OC)cc1 198745024 HVZVTJUGHMZTQO-ATZGPIRCSA-N 579.436 6.573 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCCC(C)C 205650955 BQECMLWCFGVMDU-ZVDZYBDISA-N 510.590 5.957 50 10 KKGE CC(C)c1nnc(CO[Si](C)(C)C(C)(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 206561887 LBACDBSTKSTSOX-KKPBEDLQSA-N 643.940 8.164 50 10 KKGE in-vitro CC(=NNC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 252620660 MJDGFMPNOVJHBP-UHFFFAOYSA-N 566.510 6.851 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 253579456 ZQSSJTIKPGVTPI-RXXZHPLBSA-N 569.522 5.508 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)Cc3cccc(C(F)(F)F)c3)c2C)sc2c1CCCC2 254499214 XKSQOMUWUIALCQ-UHFFFAOYSA-N 531.600 5.923 50 10 KKGE CCCCN(C)C[C@@H](C(C)=NNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254628348 BYRROZISRCQPLM-BHBYDHKZSA-N 539.676 5.713 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2F)C1 382693168 QGJNAVDGLQYJTC-RHSMWYFYSA-N 518.164 5.375 50 10 KKGE CCOc1ccc([C@H](Br)c2sccc2I)cc1Br 386337556 NFMZGXGSVZRAPE-LBPRGKRZSA-N 502.009 5.998 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 504203717 KNWRANWQYPIVSF-IEPSGVDBSA-N 641.540 5.967 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616585498 MUWOVNLLXDFHQS-QLADMRTNSA-N 987.224 11.659 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591126 WUWBJKZWDLYUSB-SEZOVNKOSA-N 684.943 5.808 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)sc2Br)c1I 721671072 CSCAAAXAUHQCJQ-VIFPVBQESA-N 554.842 6.501 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817678 XIJUVZWMRLQMRZ-WKZHTZOASA-N 834.994 7.822 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084009018 SWZLINIYGKVHPT-ONNFQVAWSA-N 504.551 5.418 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084071586 QTRRQGNGFDYNKH-QHCPKHFHSA-N 556.413 5.299 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084090469 KVCUGCJWESLCOO-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2ccccc2o1 1084162780 CWNGAYINEULVGL-UHFFFAOYSA-N 573.197 6.209 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)o2)cc1 1084472182 QGWHXYGPLHZQHV-UHFFFAOYSA-N 599.587 5.488 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1F 1084472786 IXYWCXNVQAKKPS-OQLLNIDSSA-N 507.190 6.848 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)ccc1OCc1ccccc1Cl 1084491664 DSNZJPHQQPJFTQ-UHFFFAOYSA-N 592.479 6.671 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1O 1084650420 GAKBNCPLPCLUDP-UHFFFAOYSA-N 502.634 6.300 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)[C@@H](CI)C1 1614701165 IAGVCPCCGGMFOS-YOEHRIQHSA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772747643 FECFGGDILCFONA-UHFFFAOYSA-N 528.608 6.949 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2)c1ccccc1 1772749853 QFPHCFNECOFSBP-UHFFFAOYSA-N 514.409 5.797 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc(OC)c2O)C(C#N)=C(N)O3)cc1 1865683801 INDRXELIUFYRCI-QFIPXVFZSA-N 500.942 5.134 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686073 QSVIZWQTFGHBGR-QHCPKHFHSA-N 503.389 6.381 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1OC 1865691303 PBVIITOOGPGXQP-VWLOTQADSA-N 579.539 7.154 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OC 1865695838 IACOLKNBXPGGFT-HSZRJFAPSA-N 544.549 6.275 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865701766 DUPKSIDQRFMMDA-PMERELPUSA-N 541.655 6.765 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc1 1865703482 WOGPHXLOCYJLND-PMERELPUSA-N 524.624 6.704 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703902 IHHYEAGZDVVDHT-HKBQPEDESA-N 544.630 6.973 50 10 KKGE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1867040667 UBBYJWVXYOWXEU-HKBQPEDESA-N 563.723 6.969 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868253944 YWXOXBXWYDTJLD-HSZRJFAPSA-N 507.063 5.055 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H](c2ccc(F)cc2)O1 1868544490 HAMBYAWEWXWLLC-KMRXNPHXSA-N 553.707 7.863 50 10 KKGE N#C/C(=C(/O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1)c1nc(-c2ccc(F)cc2)cs1 1872752235 SNBSKTSNUYLSET-GNVQSUKOSA-N 505.574 7.409 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1872784298 IZTFFAVOQKCCFH-CXUHLZMHSA-N 500.374 6.342 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc(Br)c1O 1872795146 PUEGMPURFPIPPZ-NTUHNPAUSA-N 503.374 5.377 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Br)c(OC)c1OC 1873941112 WXLZTDFLEBQOAW-JXAWBTAJSA-N 518.345 5.456 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 1922946267 PLJMTUGMHGCEKV-JTQLQIEISA-N 538.324 7.435 50 10 KKGE O=S1(=O)CCC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068474 RZFILOSKWXFSCA-CAHLUQPWSA-N 501.487 5.187 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925585636 POHBTFICLNHVPR-MRVPVSSYSA-N 561.291 7.560 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)c1Cl 1925587437 JNXZUULNIWDWJL-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Brc1cc([C@H](Br)c2cccc(Br)c2Br)sc1Br 1943903289 NBYWEPBTBBXUAY-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE Cl[C@@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995047555 IHQYSAXWDOFBHM-INNGVCIWSA-N 561.131 6.800 50 10 KKGE CN1C(=C(C#N)C(=O)CN=C2C(=C3Sc4ccccc4N3C)C(=O)CN2CCc2ccccc2)Sc2ccccc21 2042449337 YWZIHKGMCDFDQE-UHFFFAOYSA-N 577.735 5.512 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1ccc(F)cc1 2053614891 OLVDMCKAHQCOOF-UHFFFAOYSA-N 607.763 6.125 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@H]2CCCCO2)C[C@H]1C[C@H]3O 2070206444 QENLZIAWWAHCNU-QKCSWKKYSA-N 590.962 8.493 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2sncc2Br)c1Br 2081059620 JJFIXSHCGSNBFW-NSHDSACASA-N 518.894 6.532 50 10 KKGE Cl[C@@H](CCC1CCC1)c1c(Br)c(Br)cc(Br)c1Br 2085496923 YRDUTRBLNMMWRX-JTQLQIEISA-N 524.316 7.597 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2110726341 CQVUZLHHEQSIPS-VIFPVBQESA-N 536.287 6.154 50 10 KKGE FC(F)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2115947857 LLAYOCLOUHTOOB-QMMMGPOBSA-N 539.859 7.458 50 10 KKGE CC(F)(F)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141468562 LFWFTSRSULMENN-JTQLQIEISA-N 546.269 7.452 50 10 KKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469866 XLRLBAJAOJTKCK-CYVIZDSUSA-N 538.343 7.699 50 10 KKGE COc1sccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474034 WPSIRKZELFTBLD-SECBINFHSA-N 598.774 7.291 50 10 KKGE O=[N+]([O-])c1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2206396819 BFPKJVKXTTYTBR-NSHDSACASA-N 597.677 6.722 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC2CCC1CC2 2206406055 UTYKWKFRVGVVPN-CAFPSJANSA-N 550.354 7.843 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(I)ccc2F)c1C 2218786070 WCQQRMZUYQRXGA-NSHDSACASA-N 504.000 6.355 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2Br)c1C 2218789155 GIVNRHODRAGQHQ-NSHDSACASA-N 517.906 7.137 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@@H]1CC1(Br)Br 2225702736 ZEBVPLZXRGBZOH-LURJTMIESA-N 536.287 5.806 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1ccc(Cl)c(Cl)c1 2233977096 SMZYRHWCJGDBCE-SECBINFHSA-N 505.834 7.336 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Cl)ccc2I)c(C)c1Br 2235606996 YGBXOTOXYMKABD-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(F)cc2I)c(C)c1Br 2235611536 WYBKWJSRWZIEKI-HNNXBMFYSA-N 576.867 7.056 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 2264368900 PLHAWQIJTRAJII-LLVKDONJSA-N 509.872 7.073 50 10 KKGE Clc1c(Br)csc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2264610251 SUDRIYJKBUNWQQ-SECBINFHSA-N 682.089 8.698 50 10 KKGE Cc1ccc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1I 2277958025 ZRPNDWUQINAOQU-CQSZACIVSA-N 558.877 6.803 50 10 KKGE COc1ccc([C@@H](Br)Cc2ccccc2I)c(Br)c1Cl 2283558811 COBVYVRESUEMOA-NSHDSACASA-N 530.425 6.394 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(I)c2)cc1 2294146993 QODBOBMHQYXOMP-UHFFFAOYSA-N 700.314 7.572 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2C)c1 2296063148 SUDISMGQSIHJDU-VWLOTQADSA-N 502.039 6.330 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296506848 HZFJNCCYWCLYKG-VWLOTQADSA-N 552.483 5.787 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)c1C 2296507200 YBXVEFGVUCRXBE-QHCPKHFHSA-N 522.457 6.675 50 10 KKGE N#CC(=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2296717907 IQJZJSINFBCHSW-UHFFFAOYSA-N 532.625 5.240 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OCCOC)c1C 2297466723 URKKTEOGQBSBIO-UHFFFAOYSA-N 527.624 5.145 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cccc(I)c1 2299495101 JUFVIYAHBKIILA-HXUWFJFHSA-N 558.051 7.117 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 2301796766 PCWGBVVWFOVLGK-SFHVURJKSA-N 520.636 6.007 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1 2313568562 URLVJTMQZJSHQK-UHFFFAOYSA-N 556.375 6.262 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N 2313568742 YFCDXCCSYYROFY-UHFFFAOYSA-N 567.487 5.884 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1Cl 2314532525 KDNRWHREBCOBBL-UHFFFAOYSA-N 556.203 6.102 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(C)=C(C#N)C2=O)cc1OC 2314616677 HBDNVGWEDOAUMK-UHFFFAOYSA-N 556.590 5.265 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314618277 KNYKIELQQHPQHV-SANMLTNESA-N 570.693 7.236 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c1 2331319687 XHPNOIPLRSMBJK-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(Cl)ccc4OC)cs3)CC2=O)cc1 2331410898 OGWUFOBCNUZNSP-GOSISDBHSA-N 508.043 6.660 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2cccc3ccccc23)cs1 2331456950 ZXKLODWXWBYZLL-UHFFFAOYSA-N 512.226 7.258 50 10 KKGE O=S(=O)(N[C@H](CCCl)COCc1ccccc1)c1c(Cl)cc(Br)cc1Cl 2343790562 FZMXTVBRLYKHJE-CQSZACIVSA-N 501.657 5.249 50 10 KKGE Brc1cc(CO[C@@H]2CCCCCC[C@@H]2Br)ccc1I 2350068954 UDMCSEASFTVGKW-SWLSCSKDSA-N 502.028 6.057 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360494658 WOVRJBDJMJCCER-NSHDSACASA-N 509.797 7.281 50 10 KKGE Fc1cccc(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2362223152 GGXPITLUEOMLGR-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362228288 CJRNGUWZXUONOA-WCBMZHEXSA-N 513.448 5.407 50 10 KKGE O=C(Cc1ccc(Br)cc1)N/N=C1\C(=O)N(CCc2cccc3ccccc23)c2ccccc21 8781106 ZQMPTZVZDXLBML-QVTSOHHYSA-N 512.407 5.255 50 10 KKGE Cc1ccc2c(c1)N(Cc1ccc(Cl)nc1)/C(=C(/C(=O)C(Cl)Cl)[N+](=O)[O-])N2Cc1ccc(Cl)nc1 33353573 NYKMSXLZPXDXMX-ATJXCDBQSA-N 553.233 5.937 50 10 KKGE COc1ccc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1C 33355962 JCLUIYQLVRUUIJ-HKIOLVEWSA-N 724.656 5.929 50 10 KKGE CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(/C=N/NC(=O)c3ccccc3Cl)c3ccccc32)cc1 33356001 VRESEZXBDHULQI-MDBGQWPFSA-N 590.035 5.232 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 38650918 RUPFELFTSNDXAT-HKBQPEDESA-N 518.569 5.777 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 39885050 BCSJRQPWXZLIGK-GZTJUZNOSA-N 501.361 7.003 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 40529651 YSYPIDNROHOAAK-VWLOTQADSA-N 523.416 7.000 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 40812920 MGPVTYTVKBYCPC-OVVQPSECSA-N 500.780 5.727 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101336986 DTCPJGOVALCESG-QVWXPNIWSA-N 536.632 5.345 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 101368187 GDQOAAGBQOVQGL-MHZLTWQESA-N 529.549 5.610 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCCC(C)C 101368389 KXPSFAAWKASHMJ-WJOKGBTCSA-N 542.632 5.940 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCC)c4)ccc32)cc1 101378045 GSFZTWHIMIVTRM-WJOKGBTCSA-N 540.660 7.262 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101378981 LHFPZYFLCWASEA-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384474 YZGLNLKNPJFANP-KTBRYMIGSA-N 564.613 6.558 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(C)cc1 101385444 RRLWPFXAHXIYAZ-PMERELPUSA-N 553.014 6.673 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)c1 101388304 SQUFJOWBBMQYKV-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)oc2ccccc12 101398496 FOHNCLGBQNVNGU-SSEXGKCCSA-N 563.009 7.411 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)oc2ccccc12 101398647 AKPKWCFTNIUMIW-PMERELPUSA-N 546.554 6.897 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 102007337 KUOGFZHISWGZIT-XODNFHPESA-N 529.449 6.090 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 102351201 YHMFJDHWZIKCFP-WOJGMQOQSA-N 535.578 5.700 50 10 KKGE CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1 102516125 QCEQROIGXDUWGM-WQRHYEAKSA-N 555.803 6.863 50 10 KKGE N#C/C(=C/c1c(-c2ccccc2)nc2ccccn12)C(=O)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2 102926597 GJLZGBNGVPBMJT-FQEQIMQSSA-N 551.672 5.396 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(C)n1CCC(C)C 103071087 DVJKSLUWKPUEBA-QRVIBDJDSA-N 540.491 7.198 50 10 KKGE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccccc1Sc1cc2c3c(cccc3c1)C(=O)OC2=O 104085424 JPABSNFGBSHPSH-HAHDFKILSA-N 540.000 6.674 50 10 KKGE N#C/C(=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 150560475 CKXWCVLXRVFYNA-XSFVSMFZSA-N 634.463 7.542 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205642591 FPIPVYIGTIVHCA-KFBHMYJPSA-N 508.618 6.610 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C2=O)cc1 214399884 VXOOTFHTOJHCRO-RGXNXFOYSA-N 586.692 6.418 50 10 KKGE Cc1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccccc3OCc3cccc(Br)c3)cc2)cc1 252585620 JXGXSTZRMVPHTH-UHFFFAOYSA-N 542.433 6.353 50 10 KKGE CCOc1cccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(CN4CCSCC4)c3)c3ccccc3n2)c1 252597533 CSGIYNYDKZQRPJ-UHFFFAOYSA-N 540.689 5.622 50 10 KKGE C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccc(Br)cc1 254314098 YMCQJCXQVWPKFS-FQEVSTJZSA-N 585.531 6.426 50 10 KKGE CC(C)[C@H](C)[C@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@@H]2C3=CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 254381965 NTJWQDRCALCUGV-ASFNPIGXSA-N 554.451 8.510 50 10 KKGE Cc1nnc(SCC(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)n1-c1ccccc1 254391780 WHDXJNYZNJUQHW-UHFFFAOYSA-N 525.609 5.689 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(C)cc1 254715955 WHYACHWBNKTHBF-UHFFFAOYSA-N 508.574 5.874 50 10 KKGE C[C@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254825684 NSYXTAJIOOWVSE-ONYBKVLVSA-N 533.757 6.025 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589295 XAIQBZNFPUNWMQ-FOBXNBQISA-N 769.972 6.801 50 10 KKGE Cc1c(C=NNC(=O)CC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 725388118 NOMXKQVOHPSEIH-AREMUKBSSA-N 504.428 5.724 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F 1083909195 GVPHDNWAHBMIEY-UHFFFAOYSA-N 568.621 5.843 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1OC 1084095378 GEEVXNWIMIHPNG-UHFFFAOYSA-N 595.121 5.419 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084121190 IUUCHYZVYAJXPS-UHFFFAOYSA-N 521.042 5.093 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1 1084133168 KQKHKXMOSDFSIN-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084139552 BBEXRORBEKHUHQ-UHFFFAOYSA-N 582.648 6.075 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Br)c3)c2C)c1 1084245683 HRVZEWOYNXBCSU-UHFFFAOYSA-N 549.332 6.311 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccccc2OCc2ccccc2Cl)nnc1-c1cccnc1 1084292319 FVDCNLXXCUDVID-UHFFFAOYSA-N 519.030 5.001 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)Nc4ccccc4Cl)c3C)sc3c2CCCC3)cc1 1084341775 JAYQFSUYRKUCCO-UHFFFAOYSA-N 560.123 7.404 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084372616 CCXHHJLCKVBJAT-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(I)c2)cc(Br)c1OCc1ccc(F)cc1 1084408222 DHUCXIOYAHNGJC-UHFFFAOYSA-N 583.195 5.544 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1 1084497001 UBFVFBPBRUVJBD-CIAFOILYSA-N 582.281 8.042 50 10 KKGE CC(=NNC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(OCc2cccc3ccccc23)cc1 1084613488 NYRSHHBWOLIYRW-UHFFFAOYSA-N 521.646 5.994 50 10 KKGE CO[C@@H]1C(=O)[C@@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](OC)C[C@H]2CC[C@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H]1O[Si](C)(C)C 1307318214 MRNFTOVSUTVVDY-YJTJJLDOSA-N 986.370 8.040 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC 1772720587 SHIMDMDQXYGMHV-UHFFFAOYSA-N 812.873 6.508 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OCC 1865691120 JVFGAGLJDPBSGC-HHHXNRCGSA-N 518.633 6.209 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)cc1OC 1865691595 VZTSQSWAEMSUPE-QFIPXVFZSA-N 527.394 5.157 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1OC 1865694771 BBPOVTMZNMCTQO-SANMLTNESA-N 543.023 5.886 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694886 DWCGYCBFWKGTJM-MUUNZHRXSA-N 524.596 5.747 50 10 KKGE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694962 GTWBUIHJWOQIJS-RUZDIDTESA-N 537.834 6.938 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865695406 OHMFGYUWDQJLRT-GDLZYMKVSA-N 506.606 5.662 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865695937 VPECZPOJPLJDRB-MHZLTWQESA-N 541.051 6.665 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865696392 FSBWHTHGTUCYAP-NRFANRHFSA-N 529.822 5.281 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702762 DSOIXDYXAZDGKC-RUZDIDTESA-N 547.840 6.394 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706740 DQNPEWKLUUCDRR-HSZRJFAPSA-N 549.414 5.846 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712137 QCMBCPACWOZENS-SSEXGKCCSA-N 556.622 6.354 50 10 KKGE CCCN(CCC)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)n1 1866598665 ATFQSJHFIYSREW-VWLOTQADSA-N 501.656 5.261 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866977013 KHRFHNWIKAKYSR-LOSJGSFVSA-N 536.495 6.128 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866986294 ZVHNIBPWKDLACZ-RPBOFIJWSA-N 542.488 6.378 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868253098 CEACHEFVOMPSPV-UHFFFAOYSA-N 504.616 5.350 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 1868528167 OLRVITOEVBRJOK-RUZDIDTESA-N 550.713 7.810 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@@H](c4ccccc4)C3)n2)cc1 1868528560 VMEFDQZMFKKDJE-HHHXNRCGSA-N 522.678 6.352 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)c(F)c3)cs2)cc1OC 1872793004 COGXYNMHLKMTAL-UDWIEESQSA-N 511.594 6.188 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc3nccnc3c2)cc1 1873497503 UUCXDBYFAFPXMC-KKRWVANVSA-N 523.637 6.047 50 10 KKGE COc1cc(Cl)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924599223 DNJMGVWJFSEPOG-VIFPVBQESA-N 554.323 7.182 50 10 KKGE CC(C)([C@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1924608217 FQONDCVHXQPGHC-RXMQYKEDSA-N 523.832 7.060 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC23CCOCC3)c1Br 1924608574 KJZIJYFGXJLGFN-POYBYMJQSA-N 523.910 6.288 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 1939962429 LWPYAISEHNXMDI-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CC[C@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780296 QMLOOILRNQDJTJ-AWXIBCPOSA-N 510.289 7.063 50 10 KKGE C[C@@H](C1CC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781215 DSKHQROGQFAWRS-UJOLQPBBSA-N 510.289 7.063 50 10 KKGE CC[C@H]1C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784254 SQHMUJMMQDLTEQ-VGIXGZPDSA-N 554.740 7.219 50 10 KKGE CCOC(=O)C(C#N)=C1C(=Cc2ccc(Br)cc2)CCC1=Cc1ccc(Br)cc1 2053624323 FWWISIHVFKYMHI-UHFFFAOYSA-N 513.229 6.856 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccccc2I)c1Br 2136372919 WYVGYSOZSXNRPG-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE C[C@H]([C@@H]1CCCO1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468317 IZXZOULWKUCCAV-IHPSOHBWSA-N 540.315 6.832 50 10 KKGE CC(C)(CC(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141473639 ROYZKTSOSWUNRE-NSHDSACASA-N 592.736 7.854 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201068722 SNPSSRFOVZVZGG-CYBMUJFWSA-N 529.896 6.292 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2ccc(Cl)cc2Br)c1Br 2201081233 FFOUCTAXDWCREM-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)c(F)c1Cl 2201610036 CWAOQGPJWXVMAU-JTQLQIEISA-N 540.342 6.609 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)n1 2225619658 LVTBMTNEYGMEFL-LLVKDONJSA-N 519.832 5.814 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1sc(C)c(Br)c1C 2234465789 ZADZJDXYHUWMFN-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE Fc1cc(F)c([C@@H](Br)Cc2ccccc2I)c(F)c1Br 2236107953 IDIBRMOAGJUXOC-QMMMGPOBSA-N 519.924 6.150 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2277888986 MNHYESQZPQZWRC-MRVPVSSYSA-N 572.769 7.974 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3OC)nnc2-c2ccc(Cl)cc2)cc1 2293704398 PLUGAJQAGRKYKV-UHFFFAOYSA-N 548.068 5.903 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619949 QQTSUDACUPTTDO-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE CC(C=NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1)=CCC1=C(C)CCCC1(C)C 2295148752 GZRRNLWDNYSUMM-UHFFFAOYSA-N 518.499 8.176 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295482931 CDCBZXJVUYRYRW-UHFFFAOYSA-N 602.430 5.863 50 10 KKGE COc1c(Br)cc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)c(O)c1Br 2297321402 LURLSKZJNIOUIO-UHFFFAOYSA-N 599.279 5.403 50 10 KKGE CCOC(O)=C(C#N)[C@H](c1ccccc1F)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313501665 JXNBDZWWPRADRK-XZOQPEGZSA-O 511.371 5.169 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313567849 MHJPBZLLWJPVGU-UHFFFAOYSA-N 515.824 7.479 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313568327 UTDWXBNNJVQWFS-UHFFFAOYSA-N 577.435 5.201 50 10 KKGE Clc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314499537 DINMNQKYOQVJHO-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE COc1ccc(CCN2C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314579008 HHRCQRFPXHNOQU-UHFFFAOYSA-N 521.577 5.867 50 10 KKGE CCOc1cc(C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314616464 BFFMKFZUJMADRP-UHFFFAOYSA-N 561.465 6.806 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 2314618842 VITJRLHTTQMRKC-SANMLTNESA-N 536.632 5.406 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646928 UYRZRJPYRWYZRN-NDEPHWFRSA-N 618.715 5.243 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1OC 2331339155 KPKLKMWKROVKOC-UHFFFAOYSA-N 519.420 7.249 50 10 KKGE C[C@@H]1CCC[C@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2349865390 QPCZAWKARQSUDL-MLGOLLRUSA-N 500.056 6.578 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Cl 2365597823 KQLAINQCOGTQMH-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1cc(Br)sc1Br 2366216356 IHEBIYCEXZCBJA-SECBINFHSA-N 502.091 5.933 50 10 KKGE BrC[C@H](COCc1ccc(I)c(Br)c1)c1ccccc1 2377636683 QIMWUCYKRGGDJX-CQSZACIVSA-N 510.007 5.749 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1NS(=O)(=O)c1cccs1 3250826 CRZSLOQVJDYYCH-UHFFFAOYSA-N 533.660 5.227 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38650841 TWPJKAVZLTYWFL-SSEXGKCCSA-N 526.633 6.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(Cl)c1 38651142 PMCWHQXASZROAP-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38682563 PNSMSMPOHOMNSN-XRHLQHRESA-N 500.620 6.123 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(F)cc5)ccc43)cc2)cc1 38686277 VBDNLBPZYDSMGQ-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 38701176 VSRJUAOTBBDGQO-XMMPIXPASA-N 517.006 6.699 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 40847001 LULQSNVHDGPVML-CVKSISIWSA-N 519.620 5.143 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2I)cc1 100141819 XTZOLOPXAOLOOA-PLIDZJGOSA-N 607.286 5.905 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 100186771 FRKGHQXMCBVIHE-UHFFFAOYSA-N 601.361 5.194 50 10 KKGE COc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 100327986 DQBCTCUENHJAGN-SQEMJAKJSA-N 578.834 5.496 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 100452545 NTAMAQIUWADPDW-BAAUMNHKSA-N 546.805 5.554 50 10 KKGE C[C@H]1Oc2ccccc2C=C1/C=C(\C#N)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 100919852 XDEDFQUIOOKVMN-OZHVRZOASA-N 554.469 7.596 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101333053 KIKNQIDQGZXXLS-STBIYBPSSA-N 611.529 7.817 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101335009 YDTIDFIOMIHNDU-QNKGDIEWSA-N 576.656 6.911 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1 101339929 FQTAAHHHZLHXKH-YJLDXCOUSA-N 556.622 5.664 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 101340822 ZANGGNANFJEMPL-WPWMEQJKSA-N 612.111 5.235 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc(C)c1Cl 101370352 RUEUBUQGJQGFGV-DEOSSOPVSA-N 539.813 5.922 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101393003 XCSRLUUZXYLYCM-RUZDIDTESA-N 595.504 7.833 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCCC(C)C 101393292 FBALHPZUHUBYDM-HHHXNRCGSA-N 609.531 8.079 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OCC 101395289 IIKREQNYGSJSHU-PMERELPUSA-N 552.627 6.983 50 10 KKGE COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613335 STNXUSNCVCMPDT-INKHBPHZSA-N 535.600 5.789 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 101766837 OINYEUPJTSVEEI-JFLMPSFJSA-N 570.322 6.226 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 102301355 AJAQKWMFKZGIDZ-PYUWRWJOSA-N 562.686 7.052 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc2ccccc2c1 103878780 KBCHKVQRVWHVPB-UUFNBZTESA-N 619.765 9.076 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 103881064 LIKUMDCLQGKBHH-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE O=P(/C=C\c1ccc(/C=C/P(=O)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1 103906893 GDDMSQNYNOLQOO-ZQZMJUSDSA-N 530.544 7.656 50 10 KKGE CCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920693 DCIQOWDTOXIBKI-UKEVNPHNSA-N 505.227 9.347 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)cc1Br 128747969 JXHRRATUTXPVKT-ZDUSSCGKSA-N 501.871 7.506 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCCC(C)C 150422631 LKEBFPNAISHGFB-XMMPIXPASA-N 700.830 8.980 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)c1 150482083 DPWTVWPJIAILNE-MGBGTMOVSA-N 645.539 8.197 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C/C=C/c1ccccc1 163314748 STLLPUSWCFJEGM-NYSBHJDMSA-N 623.369 6.306 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 164619054 GHDDAMSOOGADEY-RQRWGXNHSA-N 667.818 9.518 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214232095 MRIJJVPZVVRLEN-ANYBSYGZSA-N 597.741 5.496 50 10 KKGE C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 229711093 IVSAOYOKGQGAQG-JSEHGYGRSA-N 577.710 5.644 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 231167907 YQFZNYCPHIXROS-BZQZVCCESA-N 919.761 9.476 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 236174066 UJYAGVYLZSFFMF-CYBMUJFWSA-N 504.362 6.331 50 10 KKGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CCCCC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254517091 JTPRKGBGXMSQBF-UHFFFAOYSA-N 650.688 5.303 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccs1 254519753 WCGWMHPZUMBYBJ-UHFFFAOYSA-N 503.697 6.234 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccccc3Br)c3cc(Br)ccc32)C1 254594648 SROFVMPTASLMKF-MRDQGFSESA-N 588.344 5.550 50 10 KKGE O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 254812992 LDEMWXBMGVNAKB-UHFFFAOYSA-N 538.585 5.247 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1 254858931 YGFDMEVWERJNTR-UHFFFAOYSA-N 588.758 7.183 50 10 KKGE O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@H]2C[C@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 256464239 VLVPZHPCZCEGRU-JSQQZNJQSA-N 829.308 5.569 50 10 KKGE Clc1cccc(COc2c(Br)cc(Br)cc2CBr)c1Cl 312646180 KCKNHELHOFAJDT-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616591123 WUWBJKZWDLYUSB-HYKJKDMVSA-N 684.943 5.808 50 10 KKGE C[C@@H]1Cc2cc([C@@H](Br)c3ccc(I)c(Br)c3)ccc2O1 721573842 SUCJFQKGTXBDNX-JDNHERCYSA-N 507.991 5.861 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)S(=O)(=O)c2ccccc2)c1 725393266 NILAMVYGVLOEHT-UHFFFAOYSA-N 625.545 5.219 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1C=NNC(=O)c1cccc(C)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159590 OCGAUJFQXPTYQA-QFIPXVFZSA-N 551.646 5.016 50 10 KKGE O=C(OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 1083803720 RITGYQZMPNVVEG-GGEKVXJASA-N 637.666 5.348 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1083868794 IBTKBOPDEZFUMB-QIPKFMDDSA-N 560.119 6.974 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1 1083891209 UWSOPUREHMCBAN-UHFFFAOYSA-N 555.520 6.487 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccccc2)cc1 1083936847 OUJOWHGBSXBLKL-UHFFFAOYSA-N 558.704 5.455 50 10 KKGE Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=Cc2ccncc2)cc1)S(=O)(=O)c1ccccc1 1084040231 WTVPDZPGKXGUAT-UHFFFAOYSA-N 519.026 5.203 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2c3c(cccc13)CC2 1084271573 WXUJKRHMFWYPEG-UHFFFAOYSA-N 548.064 5.087 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084381690 WAPYTSIBOYXINI-UHFFFAOYSA-N 674.116 7.458 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1cccc2ccccc12 1084463644 JSZAFHNNJNXHHV-SSEXGKCCSA-N 522.645 6.510 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 1084504029 KKFWUJGVVUURFZ-UHFFFAOYSA-N 572.731 5.103 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 1084597171 WLUZBLDHWADBCI-DEOSSOPVSA-N 627.306 6.540 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 1084600574 NFQWZWANADHMAP-UHFFFAOYSA-N 678.064 6.842 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 1084627518 AYYXFLOWCPYKNI-UHFFFAOYSA-N 651.141 5.029 50 10 KKGE CO[C@@H]1C(=O)[C@H](C)C[C@@H](C)C=CC=CC=C(C)[C@H](OC)C[C@H]2CC[C@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H]1O[Si](C)(C)C 1307318213 MRNFTOVSUTVVDY-VUUGNKLMSA-N 986.370 8.040 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749110 HLOVXKVMSDJODQ-UHFFFAOYSA-N 558.418 5.559 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Br)cc5)c(C)c43)coc2c1 1772752107 XYHRHZXHQLZJLW-UHFFFAOYSA-N 548.437 6.365 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC(C)C 1772755121 OFDABNCFCDDTAK-UHFFFAOYSA-N 520.474 5.611 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(OC)c1OC 1865692348 LKROCQFACPKHIE-XMMPIXPASA-N 528.996 5.496 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865697689 ZJZXRYPJJNUHMI-NDEPHWFRSA-N 520.633 6.313 50 10 KKGE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704341 TUKZNVUNKNNVBN-VWLOTQADSA-N 548.430 5.942 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1OCc1cccc(C)c1 1865705258 PPNRKXVBQDXQDK-AREMUKBSSA-N 512.997 5.948 50 10 KKGE CCC[C@@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867129926 YWVJJSNFAJJMPN-IIBYNOLFSA-N 518.477 5.838 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868365106 KTQVHIHNIPAOGW-QFIPXVFZSA-N 541.702 6.151 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)nc(-c3cccnc3)n2)cc1 1868565967 RYLUJBGSMVLMLI-RUZDIDTESA-N 509.614 5.414 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)cc3)nc(O)c2cc1OC 1872727467 CRVPZCGMAZYKNX-CNRUIPLNSA-N 553.622 6.772 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872744837 KLKBBHLFRBNLGJ-BXPXOOBPSA-N 517.876 7.829 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915271118 UTFBUPWVRDVVDH-AWEZNQCLSA-N 524.116 6.335 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N(Cc1ccccc1)C1(CCl)CCC1 1915769039 YDOJKFXTVOVVJP-UHFFFAOYSA-N 518.620 5.858 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1ccc(OCc2ccccc2)cc1 1923037907 GOCPQFMXKOPHMJ-HNNXBMFYSA-N 507.074 7.834 50 10 KKGE FC(F)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995046776 AXBXPPXRJPKBSY-YFKPBYRVSA-N 506.204 6.672 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@H](Br)C1 2025780487 TYKQTGXHNKNABA-URHBZAFASA-N 554.696 6.093 50 10 KKGE CCCCCCCCCCCCCCC/C=C/C(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](COO[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 2037804311 ZAYUVHBZDPJVQX-UPIPJCOASA-N 933.271 7.952 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)s1 2086140066 XNWMURPDHHBBAV-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE FC1(F)CC(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472644 GRHVDXWGRQOPKY-LURJTMIESA-N 590.720 7.608 50 10 KKGE COC1(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141476792 HEOPDBXAWSUZPY-SECBINFHSA-N 540.315 6.976 50 10 KKGE Cl[C@@H](CC[C@@H]1CCCO1)c1c(Br)c(Br)cc(Br)c1Br 2141477219 NKFIWUCAQMDHLK-XVKPBYJWSA-N 540.315 6.976 50 10 KKGE O=C(c1cc(Br)ccc1I)N(CCBr)Cc1ccsc1 2171085328 MKCVNNMZADHXLV-UHFFFAOYSA-N 529.035 5.153 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(C)c2I)c1Br 2201083209 XMYLHFIZRIEXRU-OAHLLOKOSA-N 572.904 7.226 50 10 KKGE CSc1ccccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397949 OQPYEOAVCJQHLL-LBPRGKRZSA-N 608.813 7.943 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)nn(C)c1Br 2206398263 SOORUMUMGKPAPE-JTQLQIEISA-N 659.634 7.025 50 10 KKGE C[C@@H](C1CCCCC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206403217 XVOXBCZTVOFTST-SDBXPKJASA-N 596.821 8.389 50 10 KKGE Clc1nc(Cl)n(-c2ccc(Br)cc2I)c1CBr 2217116339 HXWBQQYIEZUSCU-UHFFFAOYSA-N 510.782 5.441 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)s1 2224784818 YZGRJVBLZDLYIH-SNVBAGLBSA-N 553.961 7.118 50 10 KKGE C[C@@H]1C[C@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234069549 BNXXRELQVWKHMK-GDBMZVCRSA-N 511.689 6.526 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2235610577 GAMLYKCHTFRQRN-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)sc2Br)cc1I 2257368915 KRTMIQFENXZBTI-LLVKDONJSA-N 522.427 6.215 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277965426 LSEMKPJVCNQDGK-AWEZNQCLSA-N 515.840 6.792 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I 2294187448 QBGYALACYXHORV-UHFFFAOYSA-N 604.613 5.968 50 10 KKGE CC(C)CC(=O)N1CCN(C(=O)C(C#N)=C2SC=C(c3ccccc3)N2c2cccc(Cl)c2)CC1 2297486345 JQEGUEIJYZUEJP-UHFFFAOYSA-N 507.059 5.344 50 10 KKGE CN1C(=O)C(=Cc2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCCCC3)o2)SC1=S 2297497988 VOUABYNSGJBKOW-UHFFFAOYSA-N 570.700 5.115 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1 2313518668 NXCWWJCJOWHAFD-UHFFFAOYSA-N 538.385 6.123 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1Cl 2313521399 LCILOBCIUIHGBT-UHFFFAOYSA-N 544.776 6.078 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1 2313570663 CIEBKUUTYKSVBL-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 2313675792 SNYQSJCNUWTQNE-UHFFFAOYSA-N 514.334 7.561 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314489581 RTXCGYJDVPJNLJ-UHFFFAOYSA-N 540.000 6.652 50 10 KKGE COc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)c1 2314534060 XFUOLBOJRUZRON-UHFFFAOYSA-N 521.360 5.656 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 2314643267 MMXXGYWRQZAFEG-WJOKGBTCSA-N 638.334 8.716 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Br)c1 2331234983 AQYJONOZMJSSLM-UHFFFAOYSA-N 514.401 6.695 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1C 2331429685 RXDBQZWAWAPZDA-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Cl[C@@H](C[C@H]1CC[C@@H]2C[C@H]12)c1c(Br)c(Br)cc(Br)c1Br 2333303878 XCDSPGFIJAJRBU-LEQIOUOKSA-N 536.327 7.453 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336037697 GLKCFNFTSFYDIU-IBGZPJMESA-N 515.072 8.014 50 10 KKGE CC1CCC(CI)(OCc2ccc(Cl)cc2I)CC1 2340109882 JXCMKMQKPLXJCP-UHFFFAOYSA-N 504.577 5.845 50 10 KKGE Fc1cc(Br)cc(OCc2cc(Br)cc(Br)c2)c1CBr 2362212848 XSLXBQJDUBBFKA-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 1790184 AKHBLMOVUQMKHU-SCIJIFGBSA-N 556.844 6.307 50 10 KKGE O=C(/C=C\c1ccccc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 33352995 IYXIQVMCIGFOSM-RQZHXJHFSA-N 538.647 6.285 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684205 VVDKTWLTWPFHBL-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE Cc1c(C(=O)Nc2ccc(C(C)C)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813439 HANLKCLOJQAPKO-ZTKZIYFRSA-N 508.962 5.996 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCC)c(=O)oc3c2)cc1OC 40894195 QJGHGCXZXVMZKV-KGENOOAVSA-N 518.566 5.023 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 58976435 GOIWCYRDJOJFPQ-WOJGMQOQSA-N 515.418 6.745 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 59680211 RDPPUXUSDXMYAH-ZCTHSVRISA-N 517.614 6.837 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccc(OC)c2)C(=O)CCl)cc1OC 97914601 RESHBRSADVUBDW-HHHXNRCGSA-N 517.066 5.250 50 10 KKGE CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C(Cl)Cl)cc2)n1 98018062 MNJMEXINQOCDTG-UHFFFAOYSA-N 503.308 5.111 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1Br 100189192 QKFJQNXEYUODQQ-UHFFFAOYSA-N 601.361 5.228 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 100236188 JHDPIBHIGZCASO-ABZYITTCSA-N 586.439 5.308 50 10 KKGE Clc1cc(Cl)cc(-c2ccc(Sc3ccc(CCCI)c(Cl)c3)cc2)c1 100434472 SERWKXHNHVAOQP-UHFFFAOYSA-N 533.689 8.833 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337710 PXOOOMDJBTVADB-PCEWRDAZSA-N 591.111 7.725 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101339924 HZTJIFGGOPNTLC-UZWMFBFFSA-N 586.692 6.828 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 101340100 FALVTEBJYOUQLS-CVKSISIWSA-N 543.019 6.119 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101340731 NAHYWDOMHNMJQU-MFKUBSTISA-N 563.013 5.756 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OC 101367743 KGOIOBQPXBQOJR-XDBZFTIUSA-N 532.568 5.604 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)c(OC)c2)cc1 101368044 YMXLGAZIMYXODP-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369218 SIPWAJJMIGJCSQ-MHZLTWQESA-N 539.385 6.679 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 101372407 ZBNRRSVYRJGSSK-SSEXGKCCSA-N 547.051 6.674 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1 101377952 VVCXIBKQOFUNRR-IIMAJNMQSA-N 544.623 6.766 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379986 HIKOWDQNPSJYOL-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380179 KESCBNRZKALNLJ-MUUNZHRXSA-N 571.402 6.605 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380808 VIYOKWCJPOLLME-PMERELPUSA-N 567.529 5.515 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 101381667 RZRLOULOWWDXLM-WJOKGBTCSA-N 532.596 6.085 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1F 101388792 HNHOEMWJZXBKDW-HKBQPEDESA-N 550.586 6.549 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101390315 HELOGSFMQNYKIZ-DEOSSOPVSA-N 531.362 5.950 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)Nc3ccc(CC)cc3)c2-c2ccccc2)cc1 101719547 KJKQIYKTVFJQQT-SXBRIOAWSA-N 565.673 8.096 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1cccc(Br)c1 101727225 YQZOMNZHQCDQNM-WKULSOCRSA-N 582.545 6.793 50 10 KKGE N#C/C(=C\c1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1)c1nn(-c2ccccc2)c(N)c1C#N 102777485 SDXMFGAVBQTGHI-REPVBDINSA-N 544.582 5.094 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OCCOC)c1C 103633940 URKKTEOGQBSBIO-GHRIWEEISA-N 527.624 5.145 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc2ccccc2c1 103880094 OJXKIOGFHKRWJR-KBVAKVRCSA-N 543.417 7.090 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1csc(I)c1 124424384 SAONRDCMBSZXAV-ZDUSSCGKSA-N 502.009 5.998 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433745 XTIXEUHRKNCFRF-JGCGQSQUSA-N 675.952 9.117 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150463373 WBUOYJHBSLQULI-AREMUKBSSA-N 720.820 9.052 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCCC(C)C)c(OC)c2)c(OCC)c1 207166608 ZGZWHDPOTDCHRN-VGLXWCCFSA-N 507.583 5.608 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214358215 WKRBVSLWMBUPCH-NLULDLIBSA-N 504.590 5.398 50 10 KKGE CC(C)Oc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 232669863 MNPRYFAEUUYQNZ-MRXNPFEDSA-N 510.007 6.325 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@]12C 251380727 HQCIIKWOMRRRPN-BKFLIACYSA-N 521.624 8.723 50 10 KKGE biogenic COc1cc(OC)c(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(OC)c1 254382486 BYESYTTUADUHFX-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)n2-c2ccccc2)cc1 254589461 GWDJLYWCJAEMKB-UHFFFAOYSA-N 561.711 7.267 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254746520 DNRWIMLZCYXNSJ-UHFFFAOYSA-N 529.666 5.491 50 10 KKGE COc1cc(C=NNC(=O)COc2c(Br)cc(Br)cc2Br)ccc1OC(=O)c1ccccc1Br 254848702 LAQCTGZRONXLMX-UHFFFAOYSA-N 720.006 6.494 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024868 ISLUIHYFJMYECW-ZELSYXRPSA-N 588.509 8.930 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2scc(Br)c2Br)c1Br 705446901 CQJAQROYSGABDH-SSDOTTSWSA-N 563.878 7.600 50 10 KKGE COc1ccc(N(CC(=O)N/N=C(/C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 725405017 GFIGTLIAVOMJGO-AJBIJWRDSA-N 681.771 6.174 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(COC(=O)/C=C/c5ccccc5)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105641 HEZFCYYWFPGYKD-QBHCNUNLSA-N 626.834 7.578 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)cc2)cc1 1083915667 JNTQSWUVAUWKKH-UHFFFAOYSA-N 558.034 5.881 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1083948538 ZWNHXLAQFFNWEL-HNNXBMFYSA-N 637.526 7.066 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1083987677 WRSAUSCAEFOWSQ-UHFFFAOYSA-N 644.537 5.972 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3cccc(Cl)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084087020 FMERPAHTHPORAR-UHFFFAOYSA-N 599.496 5.375 50 10 KKGE N#Cc1ccccc1COc1c(I)cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc1I 1084183594 ORUWOEODZOQLRK-HSZRJFAPSA-N 665.269 5.310 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2-c2ccccc2)cc1 1084212095 PTSLQYWFOHNWLO-SWKFRHMKSA-N 551.646 7.842 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 1084257191 YZOXHLHEEUJDDF-UHFFFAOYSA-N 527.425 5.893 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 1084473547 SUFZMKGKUWWPMF-VWLOTQADSA-N 633.324 6.325 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 1084502621 RWLYTRCIRUZNDB-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084545951 QXYPDOZFFUAEGN-UHFFFAOYSA-N 547.449 6.743 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 1772746771 DTOAALHFNCMRSI-UHFFFAOYSA-N 516.341 5.030 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1 1772755006 GKOGLYBWPWWIEZ-UHFFFAOYSA-N 602.963 7.056 50 10 KKGE Cc1c(C)c2c(c(C)c1OP(=O)(Cl)Oc1c(C)c(C)c3c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 1848434598 RAHVIXXQZRUKTB-JHUWIADQSA-N 941.844 19.387 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440618 MQXOEROWQSLXKD-HWUGHSCISA-N 588.946 8.701 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687050 IGDHVTXBRBMIRC-MUUNZHRXSA-N 506.606 5.690 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689240 NCYIIGLTIRVOMF-IBGZPJMESA-N 539.341 6.213 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OCC 1865691091 IXQXIHRHRNJQLO-VWLOTQADSA-N 507.034 6.274 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OCC 1865691235 NLYZVHBIILINFK-SANMLTNESA-N 507.034 6.079 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865693931 SALILQDGVULXJY-XMMPIXPASA-N 528.996 5.827 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696208 YITPGPDZRYFDRK-VWLOTQADSA-N 517.416 6.539 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cc(Br)cc(Br)c1O 1865700711 BPMPHRSLIZCGMC-OAQYLSRUSA-N 578.264 6.047 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701562 YGFJFGRXJOHIOE-AREMUKBSSA-N 535.406 6.483 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccccc1Cl 1865703381 UXKIJUDYKFGSLY-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1865703466 WCCZAVQKODPVAH-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1Cl 1865704166 PBORXZRRZMJMOT-HHHXNRCGSA-N 575.496 7.319 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704438 VWMHQZPGSWRCEB-UMSFTDKQSA-N 562.673 7.928 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705252 PMDHNOCVQIAIHZ-GDLZYMKVSA-N 534.660 6.307 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705881 IFEAWZBZKOQYJS-QFIPXVFZSA-N 534.359 5.981 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706685 CLMGCDXUQDPTNQ-NDEPHWFRSA-N 558.513 7.045 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707547 ZDHNRXONGYBBQK-YTTGMZPUSA-N 539.683 7.223 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865709655 ZGUMZQOXNQSYNC-MUUNZHRXSA-N 578.113 5.401 50 10 KKGE Cc1cccc(N(Cc2cccnc2)c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)c1 1868433546 NJUVTQFTRMMSMA-UHFFFAOYSA-N 535.076 8.156 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755755 DQUIWMUGANKNBQ-OHEPZBQHSA-N 513.663 6.920 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 1872794913 DCPZNHYQYKVSSW-OVCLIPMQSA-N 519.848 7.096 50 10 KKGE COC[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616350 NWWULXGFGRFCHA-LDYMZIIASA-N 527.898 5.667 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1I 2053623338 SHFCFZSLUIMEKB-UHFFFAOYSA-N 593.646 6.832 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(F)ccc1Br)C(=O)OC(C)(C)C 2085378056 JMYMTWLGRQODNK-GOSISDBHSA-N 530.216 5.556 50 10 KKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085494043 JTXJHIQLDSWJQW-KORWRZNCSA-N 570.739 6.598 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccccc2)c1Br 2085494840 NXOVXAPSEGXXOX-LLVKDONJSA-N 562.719 7.221 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(I)c1 2094674030 QQGLYOYOSDCGIH-CYBMUJFWSA-N 516.011 6.616 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2138861387 DQOMWVOOSWHUNB-ZDUSSCGKSA-N 515.840 6.906 50 10 KKGE CC1(C)CO[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141470408 GVARVJJCXCKSML-UFBFGSQYSA-N 540.315 6.832 50 10 KKGE CCCC1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141474963 HNZNBUZUVAXEBG-TYAJBCFHSA-N 582.794 7.999 50 10 KKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(I)c(Br)c1 2167657224 YGIJSGKFKNDGCH-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)CC1CCCCC1 2179864177 XPCATVXCDKMMBV-UHFFFAOYSA-N 515.311 6.115 50 10 KKGE Cc1c(Cl)cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)cc1Br 2203682481 FFWSFHPTYXUNQG-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1Br 2206397079 DTDSOAYGNKPLDJ-ZFEVAUMDSA-N 592.789 7.465 50 10 KKGE Fc1cccc(F)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398302 TVLUTVBCFVINLO-CYBMUJFWSA-N 598.699 7.499 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC2CCC1CC2 2206406057 UTYKWKFRVGVVPN-NHTYXNJTSA-N 550.354 7.843 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c(Cl)c1Cl 2224304425 JFVUTUMROJGRPP-QMMMGPOBSA-N 548.736 8.371 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2sc(Br)cc2Br)c1 2265968417 BTDKGPCIXICVDF-CYBMUJFWSA-N 531.933 7.643 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)cc1 2296507234 ZCEPYPUQTGYJBU-XMMPIXPASA-N 566.466 6.235 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 2296647889 YDUJTLYKBJIENN-UHFFFAOYSA-N 590.680 5.682 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cnsc1Br 2300302562 CFSFEDYEBURTIW-VIFPVBQESA-N 508.830 6.054 50 10 KKGE N#CC(=Cc1ccccc1OCc1ccc(I)cc1)C(=O)N1CCN(c2ccccc2)CC1 2313567684 MIUUSKAVYMSJJW-UHFFFAOYSA-N 549.412 5.126 50 10 KKGE CCc1ccccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 2313670513 BRXRNXKLWTVQPH-UHFFFAOYSA-N 540.255 6.899 50 10 KKGE Cl[C@@H](Cc1ccccc1I)c1cc(Br)ccc1OCc1ccccc1 2314455800 RQQQCRLLVYBZQP-IBGZPJMESA-N 527.627 7.155 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592373 RYMLUSVJTSYDDS-RUZDIDTESA-N 536.484 6.929 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592911 DKZXUIGSESDDDS-PPHZAIPVSA-N 598.090 7.786 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314617906 CWJYWAZOGGPARN-UHFFFAOYSA-N 607.110 6.791 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 2314619582 BUZRSMTZRXBFCW-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 2314634016 BQNGISPDSRKNLZ-UUWRZZSWSA-N 556.662 7.400 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1 2314634585 LDOVADHTVOPJFK-JGCGQSQUSA-N 530.580 6.111 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 2314646619 GCCIFUPPMCBJJZ-MUUNZHRXSA-N 630.726 5.329 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)OCC)cc1 2314737853 ZKVGRXDRAWBZLI-UHFFFAOYSA-N 553.478 7.079 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 2331255979 LWRZFFSUVGTTME-UHFFFAOYSA-N 501.608 5.735 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2361198182 NUOLWZJNZLOTGZ-HSZRJFAPSA-N 553.132 8.398 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)n1C 2362487715 QAROOGHUHVFVBR-SNVBAGLBSA-N 659.634 7.025 50 10 KKGE COc1c(C)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2362872272 HWCRXMKFGKAFAJ-NRFANRHFSA-N 510.653 7.483 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2364052502 ZHPXUFVVKRZKKV-ZETCQYMHSA-N 574.695 6.638 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Cl 2364072656 XAHPQMZHRGANJK-NSHDSACASA-N 505.863 6.306 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2cc(C)sc2Br)c1Br 2365228102 MKIMUFLMQJWBFP-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCOCC2)c(I)c1 2366713351 XYBIDHPSYBBCEB-UHFFFAOYSA-N 536.473 5.690 50 10 KKGE CCc1cc(Br)c(OC)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 2381255380 XFCYACJPUFDIJT-GFCCVEGCSA-N 547.932 7.091 50 10 KKGE COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N 9693484 KXGSSDOSHURYIZ-FQEVSTJZSA-N 506.425 5.830 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 33387153 MDQBNXPUSWIPAK-TWKHWXDSSA-N 517.610 6.457 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655638 GRURPFVNCJUIHL-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 38688720 AOMZQSHQDFUDHR-SANMLTNESA-N 514.509 5.725 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)ccc4c3C)ccc21 38701447 FZDUWZMYIDLRFV-GDLZYMKVSA-N 522.601 7.056 50 10 KKGE O=C(NNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40658808 QKFLILPRKQXRHQ-UHFFFAOYSA-N 510.341 5.182 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 66201458 WMQPINTVKWFVAC-UHFFFAOYSA-N 533.507 5.775 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100181096 IJWYMFUQWGAINL-UHFFFAOYSA-N 548.659 5.130 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242346 FLRDWYYOMNAACD-IVYNLYIOSA-N 561.969 5.703 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)ccc1Cl 101362545 PVDSSHKPGLWECO-HKBQPEDESA-N 553.014 6.430 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCCC(C)C 101368392 KXPSFAAWKASHMJ-HKBQPEDESA-N 542.632 5.940 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 101372082 GLJZPAPTKXQQMC-WJOKGBTCSA-N 542.632 6.165 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379149 ZXECELGXOBQANI-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)ccc1Cl 101379235 NMCIBPFGNCJJNY-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc(C)c1Cl 101379913 VVWQFYLBHIXCHJ-HKBQPEDESA-N 601.486 7.392 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101383058 OWQKLWFJTPGGRH-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383622 GZMIDCUUIPERTP-PMERELPUSA-N 556.977 6.261 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385398 VBFNGEIUPWZIBN-PGUFJCEWSA-N 604.703 7.083 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388334 UUKVMDYYQYANOZ-JXNPFXPLSA-N 625.121 7.471 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1 101390738 BABUJHLYMVVWFT-XMMPIXPASA-N 525.388 6.228 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1cccc(Br)c1 101391299 JZHBXXMKTBKOOG-OAQYLSRUSA-N 572.267 7.408 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399399 IJYUQJWOWDCCLL-CONSDPRKSA-N 580.568 5.377 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1F 101399431 IHAIRTOFCHFZJJ-GDLZYMKVSA-N 621.448 7.166 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613330 RICPWFKNNRDNOJ-GGFUHWEBSA-N 555.634 7.770 50 10 KKGE Cc1ccc(C(=O)N/C(=C\Sc2ccc(Cl)cc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102618643 YLEFXGNZGGJEIB-INKHBPHZSA-O 565.098 7.964 50 10 KKGE O=C(N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cc(Br)ccc1O 103722982 IQGLZYRNCIYUFJ-LHLOQNFPSA-N 519.182 5.142 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1 103756916 KGLQTILGAMAHNO-XSAQUTRMSA-N 564.594 5.718 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1cccc(I)c1)OCCCO2 109865262 OXJKBWAXUDIRIF-MRXNPFEDSA-N 523.990 5.699 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC3CCCCC3)c2)C1 110559426 XEGNYBGKMDNTGP-DMUURETOSA-N 557.720 5.316 50 10 KKGE O=C(O)c1cc(SSCCCCCCCCCSSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-] 111449746 RSDKORKYISQIRF-UHFFFAOYSA-N 586.735 7.811 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 150382976 PMJZMTHZCZGCFQ-IPYFEQEDSA-N 685.256 5.347 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(I)c2)cc1 150428808 KBUODVWHRZPPRJ-PCYMAAINSA-N 655.302 6.134 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)oc2ccc(Br)cc12 150481811 LXEFGNMVQJXMPF-PMERELPUSA-N 625.450 7.659 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498104 PIKWKHDGTODQHV-ZUSXNBARSA-N 649.748 5.891 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 150509118 SMIFICFQDMGLDQ-IWBSIUBASA-N 644.772 7.351 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724493 BJVLFBNCZGFNOR-ACHIHNKUSA-N 731.759 5.340 50 10 KKGE COc1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1-c1c(OC)cccc1P(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 199517834 DWTIJVBAOYUULH-UHFFFAOYSA-N 854.608 10.962 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 214277282 WGTAKBHLKBYPAK-QQXSKIMKSA-N 532.575 5.870 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 214306217 XCKBVYJSPFMLSS-IMRQLAEWSA-N 570.665 6.265 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214392525 SCWVWTZCSUAWMW-YKQZZPSBSA-N 558.638 6.048 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 233818545 WDNXFTKKLXHKSY-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE CC1(C)Cc2cccc(OCC(=O)OCC(=O)N(N=Cc3ccccc3)c3cccc(C(F)(F)F)c3)c2O1 254402885 LBHCOACHSQMNJT-UHFFFAOYSA-N 526.511 5.408 50 10 KKGE O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NN=Cc1ccc(OCc2ccccc2F)c(Cl)c1 254416953 MTTCCHUNGIBABO-UHFFFAOYSA-N 562.976 6.970 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254501297 NWSVFFLMWQKFEX-UHFFFAOYSA-N 605.764 7.062 50 10 KKGE O=C(CNc1cccc2ccccc12)NN=Cc1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1 254868042 OAHBJAIAXTZEEL-UHFFFAOYSA-N 528.616 5.117 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccccc2I)[C@@H](CI)C1 394514553 GJNYWTHBCWQQRB-RDJZCZTQSA-N 547.174 5.078 50 10 KKGE Brc1cc(Br)cc([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 394657710 AWJYCXUVWDRPMN-QAPCUYQASA-N 535.061 5.862 50 10 KKGE CC1(C)O[C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 888087850 CZIQXKKUWAFYDU-MHEUVVKCSA-N 666.934 8.400 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)O)c(C=NNC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)s2)c1 1081159647 WGXKBHVFHKAWSE-ZDUSSCGKSA-N 570.476 5.034 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1083896625 YJPVZUHBHUPBTO-UHFFFAOYSA-N 649.545 8.195 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 1083924735 HZFKTODBEHIEQZ-UHFFFAOYSA-N 647.606 9.510 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1cccc(Cl)c1 1083949371 FJXIVSPXNMMAJE-UHFFFAOYSA-N 513.859 6.976 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(I)cc1 1083962649 VYJWQAVKRWULOO-LPYMAVHISA-N 670.345 6.779 50 10 KKGE CCOc1ccc(C(C)=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 1084025304 IFSCALSPTQVQEF-UHFFFAOYSA-N 650.595 6.714 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1 1084032110 AECMHZPNPLQDHQ-WOJGMQOQSA-N 546.248 7.279 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1084115200 NCMFOLWAYMGCHN-UHFFFAOYSA-N 589.039 6.112 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1084239067 MFJRDAKGHFNTGM-UHFFFAOYSA-N 557.784 5.929 50 10 KKGE N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084276257 IHYPILLFIKCWTH-CXUHLZMHSA-N 520.185 7.020 50 10 KKGE O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=Cc1cc(Cl)cc(Cl)c1O 1084417579 OFJWYNOYRCSLOU-UHFFFAOYSA-N 547.247 5.351 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)cc2)S(=O)(=O)c2ccccc2)c1 1084546587 WTPKKLIVYYLTIL-UHFFFAOYSA-N 609.704 5.782 50 10 KKGE CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1 1084611859 KCQIFNFSXPCZDX-DOCGJBSKSA-N 520.383 5.180 50 10 KKGE COC(=O)C[C@@]12NC(=O)O[C@@H](C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)=C[C@@H]1OCOCc1ccccc1)[C@@H]2[C@@H]1COC(C)(C)O1 1307258347 AYJZAWPVNWNSJY-FNPQGHJBSA-N 715.916 5.241 50 10 KKGE CO[C@@H]1C=C2[C@H](O)C=C(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)O1 1307258404 SKCXTWWSSAUDLN-QJSJSUAPSA-N 715.048 7.025 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745826 JCEDRNZTMYICIC-OAHLLOKOSA-N 504.518 5.087 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1Cl 1772747228 MGFUQXXEGITPHB-UHFFFAOYSA-N 527.824 5.792 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749980 TWIQBFSSENIXGN-UHFFFAOYSA-N 537.403 5.931 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2)c1cccc(C)c1 1772752018 ROHOUTSZAUJVFM-UHFFFAOYSA-N 511.622 6.325 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2CCCCO2)C[C@H]1C[C@H]3O 1848440642 QENLZIAWWAHCNU-IWPLPVFESA-N 590.962 8.493 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687707 YKLGBGYLIAXYCR-MHZLTWQESA-N 510.569 5.439 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCCc1ccccc1 1865687843 BMSSRISYGSYPRT-MHZLTWQESA-N 512.997 5.682 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccccn3)cc2)cc1 1865692398 FKLZJCFRRXEOMC-MUUNZHRXSA-N 511.585 6.040 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865694024 TXPYALLXCZTKRV-IBGZPJMESA-N 553.368 6.273 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694568 XDCNXKKLQMFKME-SANMLTNESA-N 561.469 6.921 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCCCc1ccccc1 1865696807 LBUVIUDQINWLSC-LJAQVGFWSA-N 575.496 6.785 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705314 RUJYHIAJZBSYNY-RUZDIDTESA-N 526.980 5.534 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705782 FVOBLSJPLYWGFT-HHHXNRCGSA-N 524.596 5.747 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710043 NBJJQJJPWHESAQ-XMMPIXPASA-N 557.950 5.099 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868342252 PFJSBCBNLAVVAB-UHFFFAOYSA-N 504.679 5.985 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CCS2)cc1 1868414228 KQFYRWLQEXHWBJ-VWLOTQADSA-N 546.121 7.417 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Br)n2)cc1OC 1872745369 KEZFAJYOXGHHEE-DMJQWXIHSA-N 521.820 6.503 50 10 KKGE CCCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cc(C)ccc3C)cs2)cc1OC 1872790964 NXXFJCXCNHRBNL-UDWIEESQSA-N 511.485 7.831 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1F 1872792406 WVGTUGBSHYTZGP-UUILKARUSA-N 510.182 6.253 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(OC)ccc3OC)cs2)CC1=O 1873920891 MBOSRBLGDDCVBD-GBWXISRYSA-N 503.624 5.798 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)C[C@H]1C[C@H](Br)C1 1897176300 NYSQKNZXRPSGHK-NUDCOPPTSA-N 513.476 5.572 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(Br)c(Cl)s2)s1 1900918268 DSAYHJJNYMXACJ-SSDOTTSWSA-N 532.875 6.968 50 10 KKGE Cl[C@H](Cc1ccncc1Br)c1cc(I)ccc1Br 1924046744 DHGJODVAYMZWIY-CYBMUJFWSA-N 501.387 5.734 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1cc(Br)cc(Br)c1 1925587041 GFFPAMTVPNNIQD-MRVPVSSYSA-N 514.291 7.671 50 10 KKGE C[C@H]([C@@H](Br)c1c(Br)sc(Br)c1Br)C(F)(F)F 1984587567 YGEIUKOHXRUEJY-VVJJHMBFSA-N 509.805 6.670 50 10 KKGE CC(C)(C)OC(=O)NCC(=O)Nc1ccc(/N=N/c2ccc(CCCCO[Si](C)(C)C(C)(C)C)cc2)cc1 2070220145 MOWKKHAAMINNGU-ULIFNZDWSA-N 540.781 7.910 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc(Br)ccc1I 2083330412 OGGBPMHQWGBIOY-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE BrC[C@H](Cc1ccc(Br)cc1Br)c1ccc(Br)cc1 2092261672 SGOGKSDHUYVKBH-LBPRGKRZSA-N 511.877 6.695 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648596 VVUBAMOWTBTMTK-KCJUWKMLSA-N 545.907 7.687 50 10 KKGE C[C@H](Br)CCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2132762754 YWQVAJOZXUUZEC-ZETCQYMHSA-N 563.857 5.113 50 10 KKGE Cn1nc(COc2c(Br)cc(Br)cc2CBr)c(Br)c1Cl 2153000105 JWDJGXBZJFRIRS-UHFFFAOYSA-N 552.286 5.835 50 10 KKGE C[C@@H]1CCC[C@]12[C@@H](Cl)C[C@H]2Oc1c(I)cc(I)cc1I 2173617968 FZVZKXHLSZQRCQ-BTNBEGNRSA-N 628.457 6.065 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1Br 2201068497 GNHKDBMNRWVEID-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2nn(C)c(Cl)c2Br)cc1Br 2202366196 NTLHHKSZUIHLDP-SECBINFHSA-N 507.835 5.745 50 10 KKGE COc1cc(F)c(F)cc1[C@H](Br)c1cc(I)ccc1Br 2204499956 RHJIQFZDKQHVOU-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206399084 CCHUVKQLJBDMSV-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE FC1(F)CCCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206406434 ZWAYDCZCAFJDDQ-PWCHPLFNSA-N 560.296 7.842 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1c(F)cccc1Br 2225635952 YJQGIXPVIXQUHZ-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)s1 2229301529 OXIYKYJZORWZMZ-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(F)c(Br)c2F)ccc1I 2236111067 SOESYKKYJSYXBZ-LBPRGKRZSA-N 519.924 6.264 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2sc(C)c(C)c2Br)c1Br 2237632158 TZKZIVNUNQJPJK-AWEZNQCLSA-N 545.960 7.754 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ncccc2Br)cc1I 2256338912 MEEWBIKQAUZWFH-JTQLQIEISA-N 501.387 5.781 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272722136 QAVMVUUNNBBJEL-SNVBAGLBSA-N 539.859 7.107 50 10 KKGE CCOc1ccc([C@@H](Br)c2c(F)cccc2I)cc1Br 2282892174 AVEKBHXJYWSOEU-OAHLLOKOSA-N 513.970 6.076 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)C(C)=C(C#N)C2=O)cc1OC 2296854986 KIXGYZZJQFHEOZ-UHFFFAOYSA-N 544.611 5.391 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2297459097 TYCANXIUXOVPSN-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE Cc1ccc(S(=O)(=O)N=C2C(Cl)=C(Cl)C(=NS(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@@H]2Cl)cc1 2297733567 KJVBAWAOJCRNGK-RDJZCZTQSA-N 554.304 5.181 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314486924 FXCLTTNUBSEQNS-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592453 UIQUPJVROWUOCG-VWLOTQADSA-N 570.036 7.547 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314616631 GBCZMRFSGBNGEY-UHFFFAOYSA-N 570.693 6.718 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314616989 OLVWRMHTXCCTIN-UHFFFAOYSA-N 548.687 6.808 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 2314617113 QXWHOMFGNVOMGW-UHFFFAOYSA-N 558.594 5.378 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OC 2314634672 WTCGFWGBTISBGK-MHZLTWQESA-N 537.399 6.238 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5Cl)ccc43)cc2)cc1 2314640628 FOYNWAPDDFEQTJ-JGCGQSQUSA-N 549.026 7.064 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OCc2ccc(C)cc2)cc1 2314760096 FMPLOFLKXKSIKE-UHFFFAOYSA-N 562.622 6.408 50 10 KKGE FC1(F)CCC[C@@H]2[C@@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2330159995 GNRKRJMZABAKGS-APOSLCTFSA-N 543.891 7.153 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccccc3I)n2)c1 2331376639 BEMADAATWJIKSY-UHFFFAOYSA-N 518.376 6.162 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)c(C)c1 2331393981 PPYPZAQJWZZRES-HNNXBMFYSA-N 503.849 7.411 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 2331412756 FCQIUYVTNGPKFS-GFCCVEGCSA-N 507.395 6.403 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cs1 2336084851 XMBINTKCHTWBBW-GOSISDBHSA-N 506.181 7.593 50 10 KKGE Clc1ccc(I)cc1C[C@H](CBr)c1ccc(Br)cc1 2352371104 WUDYKCQFGGPXLF-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE FC(F)(F)c1cc(Br)ccc1[C@H](Cl)c1sc(Cl)cc1I 2363891694 KBFIEZYZZHZYCN-JTQLQIEISA-N 515.947 7.116 50 10 KKGE CC(C)(C)Oc1ccc([C@H](Br)c2csc(I)c2)cc1Br 2381317203 WBQRNEVCYLNTKM-AWEZNQCLSA-N 530.063 6.777 50 10 KKGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)NN=C/C(Br)=C\c1ccccc1 1862732 HNWYORVBNAWWTL-JKHJLPLNSA-N 597.336 6.327 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Br)cc4)c32)cc(OC)c1OC(=O)c1ccccc1 3013940 CVZWRAZCACFTLL-JOCHJYFZSA-N 573.403 5.294 50 10 KKGE Cc1ccc(N(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1C 3080326 CQRDTRSMIMNKES-BIZUNTBRSA-N 562.091 5.881 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(Br)ccc1O 20572866 GDOWNNFPTJWXHD-AMAFCZHPSA-N 506.194 5.378 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)cc1 38679170 FWLLBDRVXXAWGQ-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OCC 38679244 VYUAYYSFYCPDKC-NDEPHWFRSA-N 514.578 5.709 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)c1 38684122 QBXZLQDHVWVCMN-HHHXNRCGSA-N 500.551 5.176 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCCC 100186854 SYFZJTCZIUSRHU-UHFFFAOYSA-N 536.492 5.146 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227659 KWLPQBLEOCWKJU-UDWIEESQSA-N 583.382 6.031 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 100236974 BZZGURJXHYNGBX-BIRDKGHYSA-N 570.300 7.242 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@H](CC)C2 101193836 CNRNFHOTTZFZBV-XERWBJCMSA-N 543.472 7.552 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243141 VWCAHIHIPGBMQK-PZJRUVIDSA-N 560.517 6.315 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243281 DASQNCZNDRPOSV-MGLWIZMLSA-N 513.638 6.253 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244215 VCKZORUJWHRCID-SNFXUIRRSA-N 550.511 6.914 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246251 DZCQYYBFZIARIX-DBJYNHDPSA-N 511.647 6.076 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101307083 RPRVCEYVCBSJPP-WENCNXQZSA-N 540.616 5.974 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1OC 101339151 FNJLBBHEHFMNDC-YZSQISJMSA-N 619.634 5.308 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101374460 BJKSPNOHKAEALW-MUUNZHRXSA-N 577.475 6.854 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OC 101375381 DVEZHIOZFWHBNK-VYALOUHUSA-N 568.670 6.890 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 101377951 LCVMKOXZCLJKTA-JRPXNJEYSA-N 544.623 6.766 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 101378843 PWVOKRNIFIXSDS-XIFFEERXSA-N 560.650 7.190 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382518 MVSKGSUFPQFGTQ-JGCGQSQUSA-N 532.596 5.949 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390699 MVYGGXCLZVHDNM-XMMPIXPASA-N 551.451 7.434 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101397266 AUHNDHMIVABLFP-AREMUKBSSA-N 579.505 8.214 50 10 KKGE N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)=C1\NC(c2ccc(F)cc2)=CS1 102789816 DBSLKOUTCAYMPH-QOMWVZHYSA-N 547.587 6.083 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1cccc(C)c1 103796822 XZBWOUKWMLEEQA-IPPBACCNSA-N 586.280 7.008 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)CC1 150462311 XYEBYNOXSYUNNM-FEGGQEBESA-N 649.615 9.091 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 150484616 MCIDLVMTSJXRNE-SSEXGKCCSA-N 631.523 7.909 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214259749 IUPIVPVTWJSJEV-JXGPUUQSSA-N 560.629 6.648 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214290765 XFCXLJQSUSMBHD-COEJQBHMSA-N 572.665 6.056 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214351050 QBPTYEPNLGRECM-IMRQLAEWSA-N 506.602 5.808 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1cc(Br)sc1Br 228452724 JYOKUYGPCYHGOL-SECBINFHSA-N 524.297 7.173 50 10 KKGE CCc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1CC 234184684 WWFJGXILFGSLFX-KRWDZBQOSA-N 508.035 6.663 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 234798129 CRYVWYCESBHPJZ-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE CCc1ccc2c(Cl)c(C(=O)NN=Cc3ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c3)sc2c1 252614981 JONIOUDSUAATPX-UHFFFAOYSA-N 585.101 7.695 50 10 KKGE CCCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1 254300676 ICEANNQWFWIYMT-UHFFFAOYSA-N 516.601 6.854 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OC)c3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254517315 FNXYMHQCBYDBSC-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(OC[C@H]2CCCO2)cc1 254524601 MXHWTHMFNSGFLD-RUZDIDTESA-N 526.511 5.487 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 254865774 MXGGWKRPYJRSES-UHFFFAOYSA-N 514.710 8.519 50 10 KKGE O=C(CNc1c(Br)cc(Cl)cc1Br)NN=Cc1cccc(Br)c1 254869850 LFDIVBUOHOEYQY-UHFFFAOYSA-N 524.438 5.190 50 10 KKGE C/C(=N/NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408869 IPBAMSANICPAIX-TYCHNDKWSA-N 783.929 7.509 50 10 KKGE Fc1ccc2nc(CCCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2c1Br 705619992 WJNHHPMUOBKIQW-UHFFFAOYSA-N 542.880 6.191 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1 1084014013 IMGBEVWAXUTNJS-HKBQPEDESA-N 522.674 5.941 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccc(OCC)cc3)c2C)sc2c1CCCC2 1084035613 PDDXPCZWWBOYNW-VWLOTQADSA-N 551.709 5.574 50 10 KKGE O=C(CCCNc1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084205560 FJQBRENUGLTVCX-UHFFFAOYSA-N 500.824 6.024 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 1084556629 GHAZDPISGSCYSL-DEOSSOPVSA-N 627.306 6.540 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCCc1ccccc1 1772755406 FWUUEOUMEVCUQT-UHFFFAOYSA-N 525.443 5.732 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N=[N+]=[N-] 1776009976 KQJXHZRKNUECLZ-HUDAZHQISA-N 601.902 6.130 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686196 SGLNVHYJAPAJOJ-AREMUKBSSA-N 511.025 6.602 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697293 PUDVNOIDANLOCY-HHHXNRCGSA-N 506.606 5.808 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865697535 VXJMIDHIOQZBDE-MHZLTWQESA-N 522.605 5.954 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700742 CPGJLYKUQHNRCQ-HSZRJFAPSA-N 559.420 5.546 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700765 CZJZAWVBKCBBCB-MHZLTWQESA-N 527.024 6.202 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1865701146 NDCRNPXCYJKBOD-HHHXNRCGSA-N 528.996 5.649 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701331 SKGGKUIGLVNSDW-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701572 YIXFRZMEZSCTCI-HHHXNRCGSA-N 545.470 7.237 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccccc1C 1865703116 NGFCIPZENCALHT-GDLZYMKVSA-N 559.041 6.537 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703577 BSLQSEJOYBVKSF-MHZLTWQESA-N 563.460 7.127 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1 1865703628 XJDAVWCDXHZOJA-PMERELPUSA-N 542.614 6.843 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707309 SYURAWAGTURMBS-VWLOTQADSA-N 563.441 6.149 50 10 KKGE O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)Nc1nnc(CCl)s1 1865863205 MCOQBCYYBJPARP-UHFFFAOYSA-N 613.307 5.277 50 10 KKGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(Br)cc2Br)cc1 1866214089 QRJJNOGEGZRKJZ-MDWZMJQESA-N 559.052 5.545 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866789178 KGMPKNIMXWHDKV-VWLOTQADSA-N 547.702 5.411 50 10 KKGE COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342004 HIKNSZWBMQJTTN-PMERELPUSA-N 569.706 7.399 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)n2)c1 1868505313 GTDLXLXICBENEF-YTTGMZPUSA-N 569.734 8.206 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccc(Cl)cc1 1872727487 FESMTTGFBNCVLI-YBFXNURJSA-N 517.969 6.048 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)CC1=O 1872753957 WCDTYRQWXRHCRG-DUKYEPHGSA-N 515.679 6.967 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941175 ZPZNLTKVXPTQKU-GYHWCHFESA-N 508.515 5.474 50 10 KKGE FC(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1894336326 HAAIAKSDUMVIND-PAKKCRSFSA-N 503.826 6.373 50 10 KKGE Cc1ccc(F)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924585050 GQQBZURUTFPBGP-SECBINFHSA-N 521.869 6.967 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596654 RINLRGYCIGASAX-MRVPVSSYSA-N 647.644 8.045 50 10 KKGE CC1(C)C[C@@H]1CC[C@H](Br)c1c(Br)sc(Br)c1Br 1924612904 FFAVNAYHPCSCHO-BQBZGAKWSA-N 509.927 7.298 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccc(I)c(Br)c1 1925559562 CFMRZXBTPKJJFD-MRVPVSSYSA-N 605.742 7.669 50 10 KKGE C[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H]1C(F)(F)F 2039188128 RFQIRSJKVYLOFI-KCPCGSIISA-N 535.843 7.060 50 10 KKGE C=CCN1C(c2cccc(C(F)(F)F)c2)=CSC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 2040465205 CLTXHTDXULYSJJ-UHFFFAOYSA-N 536.583 5.548 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(I)cc2)c1Br 2083336463 AHUMGFLMAWHLOO-AWEZNQCLSA-N 544.850 6.609 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2scc(Br)c2Br)c(F)c1Cl 2136961835 PLGQSLLYRFXLJJ-VIFPVBQESA-N 515.826 7.295 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)s1 2141470335 GKCAGBVWVGOSEX-QMMMGPOBSA-N 637.638 8.589 50 10 KKGE CCOc1ccc([C@H](Br)c2c(Br)cccc2Br)c(Br)c1 2150494732 SSVKZYVOTMXFNM-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE CC1(C)CCC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206397901 OFBHBCSSPRYIRN-QPUJVOFHSA-N 596.821 8.389 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2CC3(CCC3)C2)c1Br 2206400942 GEOFMPZVLVIINM-SECBINFHSA-N 594.805 8.143 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2207275856 PQVSGIDBUTUQKC-CQSZACIVSA-N 578.839 6.448 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1C 2227713462 JMYIROJNPIUSTI-GFCCVEGCSA-N 533.905 6.837 50 10 KKGE COc1c(C(C)C)cc(Br)cc1[C@@H](Br)c1sccc1I 2233160697 XSFVDKDCQXJCRT-CYBMUJFWSA-N 530.063 6.732 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1-c1csnc1Br 2234069240 RJIRNGUIVLDQLM-YFKPBYRVSA-N 500.441 6.069 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1sc(C)c(C)c1Br 2237631865 PLSGKMWVWYOKEY-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE CCc1cc([C@@H](Br)c2csc(Br)c2Br)sc1Br 2247999492 FQFTUTGQMSBYIL-QMMMGPOBSA-N 523.935 7.144 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCCC23CC3)c1Br 2255271971 YTVRMASVOCLRRW-JGVFFNPUSA-N 521.938 7.442 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296506871 JFBCYRLSCMHAGK-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1 2296549667 APCQPYVNFUPFJB-UHFFFAOYSA-N 523.406 5.378 50 10 KKGE CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2ccc(C=C(C#N)c3nc4ccccc4s3)cc2)cc1 2297305876 ODRQIJQSCBNDJK-UHFFFAOYSA-N 551.649 6.405 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 2297413530 OUBSJZNXCKQCTJ-PMERELPUSA-N 515.573 6.380 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571361 ULORWMMCFMVMKK-UHFFFAOYSA-N 719.100 7.025 50 10 KKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1I 2314502293 HKMPCXQXNOMAJK-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(CC)cc3)C2=O)cc1 2314592304 QJSYAETXVJUJAN-MHZLTWQESA-N 511.647 5.885 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1Cl 2314611328 TYUBLCGXPABMHY-UHFFFAOYSA-N 543.067 6.764 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 2314616456 AXSYSZBEBZHLKR-UHFFFAOYSA-N 661.740 5.235 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 2314618808 USCJBPFNTGWIBR-UHFFFAOYSA-N 542.611 5.484 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314619726 DFGGHSGKSOQYHL-UHFFFAOYSA-N 560.629 6.506 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)c1 2314634845 UXQGSKVMFHLNDW-JGCGQSQUSA-N 536.672 7.246 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ncsc2Br)c1Br 2315457205 ALBZEWPPSMFJCM-ZETCQYMHSA-N 543.275 6.707 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C(=O)Nc2ccccc2)c1C 2329665401 VENSOGVXMFWHOM-UHFFFAOYSA-N 538.423 5.794 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336082482 AJMCYBIIISVKCQ-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE CCCc1sc(Br)cc1[C@H](Cl)c1cc(Br)ccc1I 2338023374 GKCQKHUPSYXJHO-CQSZACIVSA-N 534.482 7.158 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1OCc1ccccc1 2339652309 YAMFDKNJIXODGH-LJQANCHMSA-N 543.068 7.722 50 10 KKGE Cc1cc(I)c(Oc2cc(Br)cc(F)c2CBr)cc1Cl 2361710239 QODBVSHWAMHHCF-UHFFFAOYSA-N 534.388 6.842 50 10 KKGE COc1c(C)cc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 2362873288 QODLXICITNTZTN-VIFPVBQESA-N 568.350 7.490 50 10 KKGE CCCCCOc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCCCCC)cc2)cc1 2111538 ZEYWJXLYZIEYKW-KGKOUUSGSA-N 512.694 8.154 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 8450492 OISPPCWCVSKOSI-UHFFFAOYSA-N 617.986 6.438 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)o1 20291621 XRJKYMIIGZIHRL-FJEPWZHXSA-N 505.933 5.976 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 38608591 XCYQHDUJJQHLDO-JVWAILMASA-N 522.601 5.774 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)c1 38658598 VEWUPOXQPSSFMC-MHZLTWQESA-N 500.551 5.320 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 40813682 HKEHZTHOJSPYEX-JBASAIQMSA-N 507.373 6.738 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c(C)c1 58832874 UOPIXZSCKBNFFC-ZMOGYAJESA-N 521.617 7.485 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Br)c1 58987102 WUTMGIWTYVAEID-WPWMEQJKSA-N 520.456 5.057 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1 59335391 HIVWCAQJXDCQFG-ODLFYWEKSA-N 511.803 6.544 50 10 KKGE O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc(C(F)(F)F)c1 59533919 TUNYKLLKLKBYIH-XICOUIIWSA-N 509.531 7.594 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OCc1ccc(F)cc1 96401942 LFRFENISQBMOJQ-YVLHZVERSA-N 504.867 6.631 50 10 KKGE Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3cc(Br)ccc3OCCC(C)C)cc2)c1 100190748 OTXXNVPUTFJZRW-UHFFFAOYSA-N 597.535 5.384 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@H](CC)C2 101193832 WIIKPIMOLIXLPR-KXGFGANYSA-N 553.478 7.008 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101336486 RAQCWSYICFAKEY-KCSSXMTESA-N 595.634 6.445 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362421 QLKZZDRZBWDBJS-SIHOKAEQSA-N 530.580 6.111 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368336 XGJSDRZXKCETHG-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 101368441 INIWXRMLUHMIHM-BGOLNKOXSA-N 556.659 6.274 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101374970 NOJOOXVVCYSZMA-MUUNZHRXSA-N 543.576 5.856 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(C)cccc5C)ccc43)c2)cc1 101382170 POXOQUNPVQGUTG-JGCGQSQUSA-N 546.623 6.393 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383277 GTHVQOBOGUFFJS-WJOKGBTCSA-N 569.013 6.130 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383986 KMIMMAWVRUPJTJ-MUUNZHRXSA-N 571.948 6.404 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384746 VGYSQEWJRKXCDK-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(C)cc1 101385205 IRZFQGKYFACUFV-YTTGMZPUSA-N 593.592 5.693 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1F 101386564 ZAAJCJGVFPIFFX-GDLZYMKVSA-N 601.428 6.613 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 101388157 FNEKOHZNGZLGOK-PMERELPUSA-N 598.011 6.663 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(Cl)cc1 101388729 CSHWIVVCSQDTDN-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1OC 101392604 WOKKRUMABTXHLK-OAQYLSRUSA-N 587.868 7.316 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H]5COc6ccccc6O5)ccc43)c2)cc1 101398213 VRLFMNMCZKGGBS-JSOSNVBQSA-N 546.579 5.538 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399011 XVDSKMAAWJWZBD-JGCGQSQUSA-N 572.617 7.075 50 10 KKGE N#C/C(=C\c1cccc(Br)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 102620523 OXLPHQSPNBJITO-LFIBNONCSA-N 526.868 7.604 50 10 KKGE COc1ccc(/C=C\C(=O)N(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1OC 102812722 ULJQVDZKNUMTOD-LTNDZONTSA-N 545.617 5.122 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1Br 124626084 AQUBEBCWPGXHHY-SNVBAGLBSA-N 557.849 7.539 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 150462507 RBQXPAYWQIZPLL-YTTGMZPUSA-N 663.529 8.336 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)c1cccc2c1oc1c(P(=O)(c3ccccc3)c3ccccc3)cccc12 169654121 BPEBLBGYMRFFIM-UHFFFAOYSA-N 568.549 6.865 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@@H](O)[C@@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]21 169878801 XDBLYTWRNMYVCA-WXORQISSSA-N 544.937 8.836 50 10 KKGE in-vitro OB(O)c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)s1 200154215 XKGICRUPAWMHOI-UHFFFAOYSA-N 538.481 8.035 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 205664681 XTESFDJSYMPGPE-MEGPXYOUSA-N 518.544 6.242 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 206561452 CTZMHDJIUFEYKE-NXMZLKDESA-N 514.911 9.763 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214323747 WCLVQLBAKAGDQK-HXCVMZKZSA-N 550.659 5.798 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214336067 JRMIJXFOHGLJEH-SNGAKSNFSA-N 604.710 7.780 50 10 KKGE CCCCOc1ccc(-c2cc(C(=O)NN=C(/C=C/c3ccc4c(c3)OCO4)c3ccc(OC)cc3)c3ccccc3n2)cc1 252620717 MKLYJUKXGJVEGU-VVIMZULSSA-N 599.687 7.666 50 10 KKGE C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C)OCCO5 253610064 IABXCHJHDYUDHX-JCWGCGOSSA-N 630.961 6.595 50 10 KKGE in-vitro C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C)OCCO5 253610066 IABXCHJHDYUDHX-LZUIOBNISA-N 630.961 6.595 50 10 KKGE in-vitro CC(=NNC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(Cl)cc(Cl)c1O 254710200 KTIUSZUURSPDDP-UHFFFAOYSA-N 522.432 7.164 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]12 255994944 PNTVVZJLRPNFKC-QLXIKVBSSA-N 550.853 6.810 50 10 KKGE Clc1ccc(I)c(C[C@H](CBr)c2cccc(Br)c2)c1 405528958 LVBYLDDYCJEATN-GFCCVEGCSA-N 514.426 6.428 50 10 KKGE O=C(O)c1ccccc1[C@@H]1c2cc(I)c(O)c(I)c2O[C@@H]2[C@H](I)C(=O)[C@@H](I)C[C@H]21 504219152 PJELOCOCQXOYAR-DPUZKOMTSA-N 841.943 5.389 50 10 KKGE O=C(N[C@@H](CCBr)C1CCCC1)c1cc(I)ccc1Br 725037908 QWZDBUIULORWCW-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 1083857887 UMXMPKBROGVYJU-YBEGLDIGSA-N 536.640 7.534 50 10 KKGE C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1 1084121214 UVGAPBWVGBCQTE-INIZCTEOSA-N 502.423 5.642 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccccc3OCC)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084141159 SWKFOXWXGLIQOR-UHFFFAOYSA-N 589.670 5.176 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 1084539583 ACDRFLRLHLSKFC-UHFFFAOYSA-N 579.660 7.891 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1565517693 SDHSJQVLSHXOFZ-JGCGQSQUSA-N 645.676 6.322 50 10 KKGE CCCCCN1C(=O)C(=NNC(=O)CCCCCCCCC(=O)NN=C2C(=O)N(CCCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720400 LAVMOQQXXLFBNZ-UHFFFAOYSA-N 656.872 6.839 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H]1O)C(=O)OC2 1848435769 OSEKHTMTABJUIJ-YKFNUONZSA-N 711.010 5.700 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688211 NBRPSHYUWMAVLG-NDEPHWFRSA-N 524.596 5.481 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688767 ADPGXRTZIMKGGE-LJQANCHMSA-N 560.246 5.282 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(CCC)nn2Cc1c(F)cccc1Cl 1865694532 YUJHJXQTLUMOGT-QHCPKHFHSA-N 510.997 5.692 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865696439 MSVSIJXTCJMXIE-XMMPIXPASA-N 540.586 6.363 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701521 XJMJSSVQLHKZFS-SANMLTNESA-N 551.861 6.997 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccccc1C 1865703329 TWMMQCRPDSBYFV-NDEPHWFRSA-N 527.024 6.338 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703382 UXWISCARZPOHCW-HSZRJFAPSA-N 552.940 6.350 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705071 LFYSTJLOEMKPRZ-NDEPHWFRSA-N 542.570 6.175 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705216 OWJWUHHUEOQCFZ-RUZDIDTESA-N 526.980 5.534 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705433 VVXKBMSTROFVRI-MHZLTWQESA-N 550.615 5.661 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714149 DYUVSESRZFGHTA-QFIPXVFZSA-N 560.364 5.142 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Br)cc1 1865714509 MBUZUGWUPQNNCB-MRXNPFEDSA-N 509.713 5.584 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 1866764184 QEZUPZCDHKIFIH-GDLZYMKVSA-N 559.613 6.565 50 10 KKGE CC[C@](C)(NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046825 RMDUYSGRMOUBOW-ZBLYBZFDSA-N 535.695 5.237 50 10 KKGE CC[C@@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128858 UMWBRFCKSRQGSP-UQBPGWFLSA-N 582.520 5.986 50 10 KKGE CC[C@@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867138574 RRUWZIFKQDCOKV-FOIQADDNSA-N 504.450 5.448 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C[C@H]1C 1868301344 OLYHXRMPOHOMGD-FGZHOGPDSA-N 502.688 5.704 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433857 SJQFMEKFLMITEB-AREMUKBSSA-N 559.526 7.187 50 10 KKGE CC(C)OC(=O)c1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)o1 1872728422 AYSGEDWMYGEJFG-LICLKQGHSA-N 535.221 7.557 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872752261 UFQKKFKXYVUJDU-KXNAUXDSSA-N 503.649 6.144 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1sc(Br)c(C)c1Br 1922932920 QHJUPXUKMJHRDP-QMMMGPOBSA-N 521.898 6.045 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1 1924585061 GVJHFNHDEGWJDR-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Cl[C@H](c1ccccc1I)c1c(Br)sc(Br)c1Br 1924586372 XAUNDKKBLRXRRB-SECBINFHSA-N 571.297 6.968 50 10 KKGE Clc1ccc(I)c([C@H](Br)Cc2ncccc2Br)c1 1924862675 YLOWAWIJRNDRMB-LLVKDONJSA-N 501.387 5.781 50 10 KKGE Brc1ccc([C@H](Br)c2ccccc2I)c(Br)c1 2024293491 HTRJSZSQOZCPIH-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE COc1ccc([C@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 2042931781 UPJJNLNVJBPGLE-PMERELPUSA-N 633.656 5.683 50 10 KKGE Cn1nc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1Cl 2048155221 IXBKDBIMIUKFIV-SCSAIBSYSA-N 518.283 6.404 50 10 KKGE FC(F)(F)CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496860 UQKXWSSQIVASOW-ZCFIWIBFSA-N 538.221 7.359 50 10 KKGE Cl[C@@H](c1ccc(Br)o1)c1c(Br)c(Br)cc(Br)c1Br 2085497862 YYSXERDKOPNHKS-NSHDSACASA-N 587.125 7.420 50 10 KKGE CC1(C)CCC[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471536 SNPIJBCYOPXCPO-CPCISQLKSA-N 582.794 7.999 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CCC2(CCN(Cc3ccccc3)CC2)C1 2154375533 IZKZJEGHHXYMIT-UHFFFAOYSA-N 512.717 6.490 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206409847 SVMURLSUGRVJSG-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE Fc1cccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222473168 RKCFTGGPMIAOLW-MRVPVSSYSA-N 521.869 6.853 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2I)c(F)c1F 2225928791 HNLCYLXQCSUHMA-NSHDSACASA-N 505.897 5.955 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1sc(Br)cc1Br 2247989144 DLZHWJTWZYFATP-JTQLQIEISA-N 554.842 6.501 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2ccc(Cl)c(I)c2)c(F)c1Cl 2283576534 HUQSLSGPRGOKTL-NSHDSACASA-N 512.346 6.967 50 10 KKGE COc1ccc(C(C#N)=Cc2cc(Br)c(OCCOc3ccc(C)cc3)c(OC)c2)cc1OC 2293284949 JROTUWAOOOTHLM-UHFFFAOYSA-N 524.411 6.305 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 2293823859 JEMSSIMGHJKQKQ-UHFFFAOYSA-N 570.652 5.039 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3cccc(C)c3C)c2C)sc2c1CCCC2 2294147021 XNBPSFRXNJPKKD-UHFFFAOYSA-N 501.652 6.374 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2297321358 YUGMQNJEGDKFDC-UHFFFAOYSA-N 612.436 5.318 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Br)cc1 2297548946 FCEWTMLZJKEGGF-UHFFFAOYSA-N 521.367 5.671 50 10 KKGE CC(=NNC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Br)cc1 2297640012 CUWUBFYRXSXJQZ-VWLOTQADSA-N 662.372 6.566 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)c(I)c1 2301798383 JCHCCSPMBNFFLC-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccccc1 2313518387 ABXVUQQRCMJJOT-UHFFFAOYSA-N 524.358 5.815 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Cl 2313521438 OESBQWWOWNANKW-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313567979 NAAFEFCSDWJBIB-UHFFFAOYSA-N 531.406 6.309 50 10 KKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314500220 KZOIBROCPZBTQU-FQEVSTJZSA-N 529.041 7.414 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)C(C)=C(C#N)C1=O 2314610102 CPOKWJWBZZLEKX-QHCPKHFHSA-N 597.741 5.352 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 2314617182 SFCRHFJACJIIIR-UHFFFAOYSA-N 606.654 5.929 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 2314617421 XZCZRDGZDCQBPS-UHFFFAOYSA-N 528.612 6.039 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 2314620977 XQKFODRAJLUUBI-UHFFFAOYSA-N 544.586 6.036 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1 2331393911 HQHZCJZHYQLXEE-FQEVSTJZSA-N 501.608 5.758 50 10 KKGE C[C@H]1CCC[C@@](CI)(OCc2ccc(Cl)cc2I)C1 2340118775 ANRXEGUFUIBMPB-XHDPSFHLSA-N 504.577 5.845 50 10 KKGE Fc1cccc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360426811 OVIDJLTWQIPEQZ-NSHDSACASA-N 509.797 7.281 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1 2362239821 YZBQXCNKWUHTMI-NSHDSACASA-N 554.248 7.390 50 10 KKGE Clc1ccc(C[C@@H](CBr)Cc2ccccc2Br)cc1I 2362379950 PJJOULZDKDFRMG-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2cc(Br)c(C)cc2Br)c(Cl)c1 2381300811 YNGPCPZXGXIZJP-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)N1CCCCC1 35446247 OYUNQLYLPSBVFH-XIEYBQDHSA-N 506.581 6.177 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1ccccc1Br 38678966 VINSJHWREJUMSI-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(OC(F)(F)F)cc1 39884778 NXPPVILWIHNXRE-FMIVXFBMSA-N 500.782 7.063 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811755 CIDBIPODMCJKIP-MTDXEUNCSA-N 510.388 5.390 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 59198841 JXNRZKKMJWHBMQ-NDENLUEZSA-N 506.356 6.099 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 59305277 LTYAUXPMKSOVMB-KEIPNQJHSA-N 503.577 6.935 50 10 KKGE COc1ccc(N2C(O)=N[C@@](c3ccc(C)cc3)(C(F)(F)F)S/C2=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 97984764 VUGHUCMCAGWEQP-NHGUUUJWSA-N 647.683 6.196 50 10 KKGE CCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100146521 PKGHQBAAAVMTPM-UHFFFAOYSA-N 546.693 5.365 50 10 KKGE CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100261277 RWTWJUKMNILMHR-KBXCAEBGSA-N 542.268 5.109 50 10 KKGE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 100920320 DPHRPGAFRIBYIU-PCCDRTMGSA-N 576.682 5.261 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241368 LVKQUEITSRYJDS-OKBUYZRPSA-N 536.484 6.353 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1Cl 101341610 BSCQRFAHUBRLLY-OVVQPSECSA-N 617.102 5.544 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1 101367461 IMOLOWBYFMXENG-JGCGQSQUSA-N 583.040 6.439 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 101369139 OAMXVGLDZSDLOZ-GDLZYMKVSA-N 567.439 6.413 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 101375533 CVYDLDQCDZUUEJ-XIFFEERXSA-N 570.686 6.864 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101377737 VVFQEDUZVZCFLN-PMERELPUSA-N 581.496 7.545 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(Cl)c5)ccc43)cc2)cc1 101378942 JSFDOQYLARRMOF-HKBQPEDESA-N 553.014 6.430 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101390331 WWMCCSBTWHBCPL-JOCHJYFZSA-N 523.397 6.654 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(Br)cc1 101391391 NBFLEYUPEUJQJP-OAQYLSRUSA-N 537.822 6.755 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101394799 ZSYNNLFBXSIAML-JGCGQSQUSA-N 580.681 7.763 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101395416 YIJPKONJFPYJRC-GDLZYMKVSA-N 556.590 6.895 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 101397209 OQIGJMJIOMZJQQ-JGCGQSQUSA-N 564.682 8.090 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101398066 KIBMQMIDOSZYAQ-MHZLTWQESA-N 599.495 8.224 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)oc2ccc(F)cc12 101398138 HASQXMYWCUCXKC-SSEXGKCCSA-N 546.554 6.897 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1[N+](=O)[O-] 101494424 BKRXMEGFUALFDA-UHFFFAOYSA-N 551.696 5.630 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)ccc1OCc1ccc(C)cc1 101712264 RTSDVRRJWKDABG-KCSSXMTESA-N 559.460 6.541 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 101727296 KNSPJKHSYMHLSB-CCVNUDIWSA-N 524.067 6.294 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883228 KZYLCUYVYXIFOZ-CJLVFECKSA-N 567.402 5.265 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(I)cc1 103887928 OLGZLEBDMYVMDI-ODLFYWEKSA-N 603.254 6.495 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 105054328 MNTKRSYQKDMCLQ-KVAAJVFYSA-N 597.882 7.608 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1 150382773 ICQCYPVWABIYEG-LKHJKXADSA-N 662.149 6.903 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150460767 PWBKYEJBFSSBOF-PMERELPUSA-N 643.548 8.542 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150461451 ZQGHWAJJLTZHIE-LJAQVGFWSA-N 663.966 8.886 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150462471 BXYBUGVHNVYACX-LJAQVGFWSA-N 647.511 8.372 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)C(C)(C)C)N=[N+]=[N-] 195847014 DFUOSUDIKSYZMW-QNLDJIMOSA-N 523.879 9.902 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](C=O)Cc1ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1 197193057 SGMOYJVAUPZOQY-XMMPIXPASA-N 503.715 5.260 50 10 KKGE CC(C)(C)c1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 205664760 DXLNPTZEQWUTTH-DNUJXBSASA-N 574.652 7.539 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214409012 CMTUICQRWRJAES-UCMJSZAQSA-N 594.646 7.050 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc(Br)sc1Br 236032916 KXCNUHRTHRPJJX-JTQLQIEISA-N 524.297 7.126 50 10 KKGE Cc1ccc(C=NNC(=O)COc2c(Br)cc(C(C)(C)CC(C)(C)C)cc2Br)cc1 252639304 YIZUHJDYCIHGGT-UHFFFAOYSA-N 538.324 6.763 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253579303 ZMBPWDUMKMIPEX-PJJLUWSFSA-N 566.708 7.507 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OCCCC)cc2)cc1 254319588 LTQIBWTZZUSNOI-UHFFFAOYSA-N 536.717 6.376 50 10 KKGE CC(=O)O[C@]1(C[C@@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@@H]3Br)[C@@H]24)CC[C@@H](Br)C(C)(C)C1 256445353 SJYSXOUMHQMJSR-KGYWYPJXSA-N 520.302 5.537 50 10 KKGE O=C1Cc2cc([C@H](Cl)c3cc(Br)c(Br)s3)c(Br)cc2N1 380226097 KLEHVQBCPJHANI-LBPRGKRZSA-N 500.437 5.858 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@@H](Cl)C23CCCC3)c(I)c1 388231849 GPPJIWXWOCTFFO-VXGBXAGGSA-N 522.979 5.868 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@@H]2CCCCO2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 409421711 VAQLZJZVGRUENW-GQVLRPGNSA-N 729.292 13.315 50 10 KKGE CC(=O)O[C@H]1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](O[C@@H]2[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC=C[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 616589916 POFJFIPDEIUPPA-LTGHFUFGSA-N 789.121 7.120 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3csc(I)c3)c1)OCCC2 688369093 ALOJETDWQZUINX-ZDUSSCGKSA-N 514.020 5.925 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 725436544 WLXYVVLKESTSIN-UHFFFAOYSA-N 534.863 5.147 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 1083817666 WUWBJKZWDLYUSB-YOGXEWEVSA-N 684.943 5.808 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)c2C)c(C)c1 1084093075 PDTMWSGWOMYLBF-UHFFFAOYSA-N 514.651 5.300 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cc2ccccc2o1 1084168418 WOLDQKAUWFRJAW-UHFFFAOYSA-N 518.194 6.845 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2Cl)cc1 1084294035 HREZAFPFKVHMIR-UYRXBGFRSA-N 511.803 6.626 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 1084316347 FFBDFMMIOKPVNR-UHFFFAOYSA-N 501.406 5.148 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc(N(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 1084366105 VGVVJXIXEKVXGX-UHFFFAOYSA-N 561.107 5.874 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1084396224 WQRYOBGUDMZYHZ-UHFFFAOYSA-N 641.672 5.426 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1Cl 1084432665 ANFBSZGOZKBGII-UHFFFAOYSA-N 534.037 6.395 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccc(C)c(Cl)c2)cc1 1084438828 NDAANDMHARSUML-UHFFFAOYSA-N 617.986 7.017 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(I)c(OCc2cccc3ccccc23)c(I)c1 1084523557 HORZPQKVNKQICY-VCHYOVAHSA-N 608.217 5.623 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3C#N)cc2)cc1 1084642651 SPGCLRSFULXPRL-UHFFFAOYSA-N 510.597 6.667 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Br)CCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565537076 UAMJDBHGEBLGGF-NAVCKDPZSA-N 579.773 10.898 50 10 KKGE O=CC[C@H](C[C@@]1(F)C(Cl)=CC(c2ccccc2)=C[C@@H]1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 1772508762 YKZMRPKLINDMDF-LEKPLPIFSA-N 516.396 5.707 50 10 KKGE Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743579 CFPMMCFZSXNZHE-UHFFFAOYSA-N 506.400 5.019 50 10 KKGE CCCCCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755289 ZGADOBQWVKUIDQ-UHFFFAOYSA-N 597.000 7.436 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12 1772760579 WJTWLMWFSVTAIM-UHFFFAOYSA-N 501.608 6.410 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685282 HPYZJZBUEWEHPO-VWLOTQADSA-N 541.449 6.652 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865692593 NQWOSTSPVOFLMY-INIZCTEOSA-N 529.357 5.480 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865692603 NSWCZZGWXGILQN-QHCPKHFHSA-N 555.448 5.801 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2O)c1 1865695552 DRCZPWIQCPSVHU-SFHVURJKSA-N 519.321 5.253 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)c1O 1865697253 YLQWHLXZQCOCNB-QFIPXVFZSA-N 547.384 5.432 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(OCc4ccc(Cl)cc4Cl)cc2)C(C#N)=C(N)O3)cc1 1865701159 NSCSGTVZBXDXRC-XMMPIXPASA-N 533.415 6.200 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865703386 UYZSDXIHXCOADG-GDLZYMKVSA-N 541.051 6.398 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703731 DCUOKEYEMFGSPS-SSEXGKCCSA-N 512.613 6.775 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703735 DHJZSUZXFVUOIG-NDEPHWFRSA-N 531.015 6.990 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704548 YLKWHKGBEYJWFZ-HSZRJFAPSA-N 512.953 5.177 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1OCc1cccc(C)c1 1865706530 YPDADHIPHHBWNS-DEOSSOPVSA-N 564.539 6.204 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(OC)cc2)C(C#N)=C(N)O3)cc1 1865713193 UBFPBUSIQKBYRT-XMMPIXPASA-N 516.960 5.626 50 10 KKGE CC(C)[C@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866744244 XHTZLAHKHRUGFB-UIOOFZCWSA-N 505.615 5.600 50 10 KKGE COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867144522 WUNSQQGNBQDGNY-HSZRJFAPSA-N 516.554 5.042 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1868231391 FNQYNVASJQYFMR-GDLZYMKVSA-N 521.646 6.798 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C)cc4)n3)CC2)c1 1868320146 CQCJJCGVXPNXIS-UHFFFAOYSA-N 521.690 7.379 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)C4CCCCC4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434025 VFRAMTYDXLMDEE-UHFFFAOYSA-N 533.101 6.343 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)O[C@H](c4ccc(F)cc4)C3)n2)c1 1868505860 LTLAZWCYCKXWKG-SIBVEZHUSA-N 527.625 6.574 50 10 KKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 1872745879 HYNXKHLUWPHSHF-ICFOKQHNSA-N 519.264 7.560 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752844 VWRNUONTKKKMDL-SDXDJHTJSA-N 519.804 6.607 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872791161 ZOBZMZQKBIHOLZ-SRZZPIQSSA-N 507.442 8.077 50 10 KKGE C[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br 1914354431 YUEKHJZCSVGOPQ-LBPRGKRZSA-N 526.088 5.186 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922897611 ONMAKYQCLKHEQC-NSHDSACASA-N 517.906 7.137 50 10 KKGE Cl[C@H](c1ccc(Br)cc1Br)c1c(Br)sc(Br)c1Br 1924595747 DKIPYUTTWOVSDZ-SECBINFHSA-N 603.193 7.889 50 10 KKGE Brc1ccc(C[C@H](Br)c2csc(Br)c2Br)cc1 1945187671 YXURJCSMNINTFD-JTQLQIEISA-N 503.879 6.714 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2(Br)CC2)c1Br 1995048212 PLVODVIKUJUISK-SECBINFHSA-N 605.582 7.100 50 10 KKGE O=C(CC(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C/C(=C\c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2042539242 TZPYVXIPRUHANZ-BFXSRQGYSA-N 812.974 11.491 50 10 KKGE CC1(C)OCCO[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2066676348 ZYYXGONSALYFGR-HTRCEHHLSA-N 527.898 5.666 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC3(CC3)C2)c1Br 2085499744 VDSARNHXGJGBKP-SNVBAGLBSA-N 566.751 7.363 50 10 KKGE C[C@H](Cl)c1nc2cncc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2095447767 MOOKBARINGJINA-IBGZPJMESA-N 525.878 5.965 50 10 KKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br 2123208270 CYGDPANBUPVMIN-ZDUSSCGKSA-N 519.280 5.951 50 10 KKGE Cn1nc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2141468377 JLQNTZKIYGBSPK-LLVKDONJSA-N 601.156 6.561 50 10 KKGE CCCC[C@@H](CC)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478099 WOJNTIYHNYGWLG-XLKFXECMSA-N 540.359 8.233 50 10 KKGE O=S1(=O)CCc2cc([C@H](Br)c3cc(Br)c(Br)s3)ccc21 2170066826 JYNQORSBFWYMIK-LBPRGKRZSA-N 501.059 5.087 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 2203007592 AILXFBMFICXWQU-LBPRGKRZSA-N 548.294 7.120 50 10 KKGE CC[C@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2206395112 LQQWQPXWOZZMQN-LDYMZIIASA-N 554.386 8.479 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2218657923 SIJQZTVAAMNOEO-UHFFFAOYSA-N 575.776 7.435 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1I 2224631190 WSBGIHLDSNOVFR-CQSZACIVSA-N 512.048 6.785 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Br)sc2Br)c(C)c1Br 2227348546 OBTKCILFJBESOP-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277947948 KGGDCZTVBZMICA-NSHDSACASA-N 515.869 5.869 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)cc(Cl)c1 2288349862 UPYWDKDPACMSAJ-LLVKDONJSA-N 509.797 7.281 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198255 NMRFFLFZUNHNFY-HSZRJFAPSA-N 597.332 5.954 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(Br)c1O 2293968621 IYSLIYQDUQZFOK-UHFFFAOYSA-N 585.886 5.194 50 10 KKGE Cc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cc(Cl)ccc3Cl)N(c3ccccc3)C2=O)c1 2296506936 MGMBGBIFXWSVSY-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2296507180 XIDDZGSJPXGNSY-JOCHJYFZSA-N 528.848 6.712 50 10 KKGE COc1ccc(C=C(C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1Br 2297576251 RGDVTGYZAOOEPM-UHFFFAOYSA-N 530.447 7.206 50 10 KKGE Cc1ccc([C@@H](Cl)c2sc(Cl)cc2I)cc1I 2300953709 NGOIEYZICLLKQJ-LLVKDONJSA-N 508.977 6.247 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2cccc(I)c2)C1 2302689106 DLNFZQUYQXHJKK-SFHVURJKSA-N 557.210 5.013 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1Cl 2313521568 XDFGTRCYEKWCKL-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1C 2313549444 WNSULZPUSDJUGN-UHFFFAOYSA-N 521.617 7.485 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C4=NN(c5ccccc5)[C@H](N)[C@@H]4C#N)c3C)sc3c2CCCC3)cc1 2313565039 NWVYKBFLVZHNGV-CPBHLAHYSA-N 599.764 6.803 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314456771 ZQIMSFPOUZDOTO-OAQYLSRUSA-N 572.078 7.425 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1F 2314611042 PCTDUWKNPXNUOL-HXUWFJFHSA-N 526.612 6.248 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616566 DTDHZXPLYNZDMK-UHFFFAOYSA-N 543.019 5.771 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314616689 HKPMSHSSDOFPGF-QHCPKHFHSA-N 554.650 6.006 50 10 KKGE COCCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1 2331123487 FCFKQMDQQIHNOR-UHFFFAOYSA-N 555.450 5.844 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1=O 2331231810 FRHDANFOBNGYEK-AREMUKBSSA-N 519.670 7.448 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4cccc(Br)c4)cs3)cc2C1=O 2331279306 HGCCTCAPCFGWFP-UHFFFAOYSA-N 508.397 5.917 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)c(OC)cc1Cl 2331376997 UMKFFVXTNBVNAH-NVXWUHKLSA-N 510.015 5.883 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)CC2=O)cc1 2331398279 CQERDOFOHUSJTP-IBGZPJMESA-N 508.043 6.660 50 10 KKGE Fc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(F)cc1Br 2336048400 UFKQFQHOOKZEJR-HXUWFJFHSA-N 547.031 7.553 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@H]12 2357089263 JLECTUCXECHNFX-JPLJXNOCSA-N 513.701 6.818 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2ccc(Br)cc2I)c1 2366890832 RDUXNQTUEHWSRK-AWEZNQCLSA-N 504.420 7.273 50 10 KKGE Clc1cccc(C(CBr)(CBr)Cc2ncc(I)cn2)c1 2381297244 YJMVSCUOQZTDQY-UHFFFAOYSA-N 530.429 5.005 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2445602 YIQMKINSBQVDHX-JWGURIENSA-N 520.010 5.776 50 10 KKGE Cc1c(Nc2ccc(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)cc2)c(=O)n(-c2ccccc2)n1C 29503284 OXRJQDQTCKEQHU-JLPGSUDCSA-N 549.450 5.329 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1 38651672 LVUBVUYZPOTYSI-XMMPIXPASA-N 505.368 5.675 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 40529760 NCQDZMQAHVTBOM-DEOSSOPVSA-N 505.914 5.474 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c21 40811468 WASLASMUBYTVJZ-FDAWAROLSA-N 503.908 6.291 50 10 KKGE Cc1c(C(=O)NCc2ccccc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 40816316 WBBLRQGDMHFCTL-VUTHCHCSSA-N 500.382 5.060 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 58894275 GXPOQNOIIUYOTR-NYFJFQCHSA-N 511.018 5.680 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 101368080 PNYGUSSBLLEMOK-WJOKGBTCSA-N 534.612 6.855 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101368944 IQUFNEVITQGLOD-HHHXNRCGSA-N 563.448 6.464 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369249 JHAPJYYJAXAZED-GDLZYMKVSA-N 559.405 6.988 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1c(Cl)cccc1Cl 101370855 YQHHFNIWKRGXPG-FQEVSTJZSA-N 516.178 6.193 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385949 ALWGNSSQHDWEJQ-BHVANESWSA-N 629.112 7.883 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386326 PCHKQUIODLOZIX-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389246 DUZCAXYLOSOCOV-XIFFEERXSA-N 592.667 7.538 50 10 KKGE O=C(NNc1ncnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101493593 PVLBECHGTDDMJG-UHFFFAOYSA-N 522.658 5.259 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccccc1Br)CCC2 101599469 CSSXGJDTKGJKGL-OGLMXYFKSA-N 535.225 6.380 50 10 KKGE CCCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1 102469914 XYPJTCWOWKQSDU-UHFFFAOYSA-N 586.817 9.297 50 10 KKGE CCOc1ccc2nc(NC(=O)/C(C#N)=C\c3ccc(OCc4cccc5ccccc45)c(OCC)c3)sc2c1 102471153 LXGIPUOKETYTLZ-JLPGSUDCSA-N 549.652 7.372 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 102667231 RJRPPIXSTZNHKZ-QNJFXAKOSA-N 522.457 6.675 50 10 KKGE C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cl)c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 103020040 ANKMRGNSZGYTEK-RFLWCCGPSA-N 553.490 5.112 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 150430621 IDAHIERVFSFKCV-KVSGHJDXSA-N 734.372 6.991 50 10 KKGE O=C(c1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C(=O)c6ccc7c(c6)C(=O)OC7=O)c4)C5=O)cc3C2=O)c1)c1ccc2c(c1)C(=O)OC2=O 164055670 FKNGNGXSMODKHX-UHFFFAOYSA-N 820.678 5.602 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1Cl 164641555 CZAOQDUZFLIAAX-KVSWJAHQSA-N 639.671 6.805 50 10 KKGE CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OCC)c1 206290778 PFTXCYNXBHKNBU-NKFKGCMQSA-N 513.590 5.866 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1Br 236245067 CAFZAAWDVWSMJK-JTQLQIEISA-N 507.842 6.659 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OC(=O)/C=C\c1ccccc1 254815719 CTDRKYMEXPHTHT-RTYVHASGSA-N 536.584 5.422 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cccc(Br)c2)C1 382699824 XISZSXNPWNADPO-SJLPKXTDSA-N 500.174 5.236 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(Cl)cc2Br)C1 394680670 YMJFNWBYNLDOKK-RHSMWYFYSA-N 534.619 5.890 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C 585662497 SQAAUMPYBBPYEE-UHFFFAOYSA-N 643.319 14.704 50 10 KKGE C[C@H](C(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](OC(=O)[C@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)O3)[C@H]21)[C@@H](C)O[Si](C)(C)C(C)(C)C 605694670 ALHDGNSPBBXBJX-RHVCWGOYSA-N 981.707 14.369 50 10 KKGE in-vitro O=S(=O)(O)c1cc(N=Nc2ccc(N(CCCl)CCCl)cc2)cc2c(S(=O)(=O)O)cccc12 606517553 AZKAYVZYOJQXRF-UHFFFAOYSA-N 532.427 5.033 50 10 KKGE CCOC(=O)[C@@H](CCSC)NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(C)(C)C)c1 725238484 UHOJPMPDJWUHSQ-DENIHFKCSA-N 525.136 5.160 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1O[C@H]1[C@H](CC[C@@H]3Cc4cccc(P(c5ccccc5C)c5ccccc5C)c4O[C@@H]13)C2 888084728 IGTZUTKXXMKKNV-WNCGEEGHSA-N 716.842 8.770 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1 1081086704 TZECNWQRDGDBHH-UHFFFAOYSA-N 500.576 5.106 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(Br)cc1 1083918268 HDFJETNARKTZAU-UHFFFAOYSA-N 687.432 8.719 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1 1084057072 TYIYEOGJKVXFKA-UHFFFAOYSA-N 578.510 7.867 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084107936 MFQFSNMMWYMRBB-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)cc1 1084229107 KFLZASUPNFPEKX-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE N#C/C(=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084552234 IDNFZFQXOWSBJP-FOWTUZBSSA-N 523.807 6.786 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccccc3OCc3ccccc3)cc2)cc1 1084598481 FLKMKXLZYZNXIQ-UHFFFAOYSA-N 505.618 6.579 50 10 KKGE C=CCOc1ccc(C(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 1565517703 VNRCWCLYRIOMRD-UHFFFAOYSA-N 515.407 6.510 50 10 KKGE CC(=O)OC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 1615811079 ABUHPHDFZWIMHE-LUXLLMPMSA-N 540.785 7.810 50 10 KKGE biogenic Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccco1)CCC2 1772747387 PGMNCUIJUXHZOT-UHFFFAOYSA-N 508.328 5.181 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1 1772748461 QMFLPVRMPSRXJM-UHFFFAOYSA-N 522.989 6.215 50 10 KKGE C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772755964 WFAYGJUIFCCINW-NRFANRHFSA-N 529.434 6.613 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865687728 YWSBLIBUTVDSJK-NRFANRHFSA-N 532.950 6.340 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865692429 FPZPNNMIBAWCHX-RUZDIDTESA-N 527.024 6.267 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1ccc(Br)cc1 1865692790 IFZXEPTWCNDSNS-SFHVURJKSA-N 549.347 5.669 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccccc3Cl)cc2)cc1 1865693407 OBNQJOPWYMWWEU-DEOSSOPVSA-N 550.968 6.709 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OC 1865696149 KLGJPWUNXZRBIE-HKBQPEDESA-N 578.713 7.020 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865702544 BKEDIKWINFCCFV-XMMPIXPASA-N 532.522 6.005 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2C)cc1 1865703008 KSABSHUPRMWGNI-HHHXNRCGSA-N 506.606 6.074 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865709606 DIXMVRZEPMNQHQ-QHCPKHFHSA-N 531.931 5.526 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 1865713970 ABOUWGPLYJGFNG-HNNXBMFYSA-N 540.137 5.634 50 10 KKGE COc1cccc(-c2nc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866676526 TVRSRRVEKARALK-HHHXNRCGSA-N 572.712 5.831 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866767164 PYMUPECSKJKAEK-XCZPVHLTSA-N 549.737 6.894 50 10 KKGE C[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866946430 OSDWPWWHORBWRK-WAIKUNEKSA-N 524.440 5.198 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)\c2ccccc2)cc1 1872756804 BJGGZBWKLZDFFU-VPEHMGNRSA-N 515.034 7.823 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 1872790003 DWZPIVITPHAELI-XDHOZWIPSA-N 513.457 7.223 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3OC)cs2)cc1OC 1872793659 LZXFBYMLNNQOHU-CXUHLZMHSA-N 515.429 6.451 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cccc(Cl)c5)cs4)cc3C2=O)c(C)c1 1872818139 OFBDCPCLZBPOKF-LVWGJNHUSA-N 511.990 6.831 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 1922944895 AOTCIHUOHCGENE-ZETCQYMHSA-N 588.804 7.652 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2sccc2I)c1Br 2024279274 LVMCGYLMPXMQBB-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Clc1cc([C@H](Cl)c2ccc(Br)cc2I)sc1Br 2026222421 YFUANLRVGKTWJD-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2048340803 VHWWRKZLKBLGMR-WHQQTDPMSA-N 521.938 7.298 50 10 KKGE CC(C)(C)c1ccc([C@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1 2080770327 DLBHPNHATQGLBQ-WOGQQFDQSA-N 527.714 6.884 50 10 KKGE COc1ccc(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1 2109591480 XQQJVXTZWZDPPZ-JTQLQIEISA-N 533.905 6.837 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2ccc(Cl)c(Cl)c2)c1Br 2203685670 MXIAJFHMDADYAX-LBPRGKRZSA-N 501.871 7.506 50 10 KKGE Fc1cccc(F)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405511 LOUGWVKNMHPHRI-CYBMUJFWSA-N 554.248 7.343 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(I)c(C)c2)cc1Br 2207110160 FAGZJXYCTDZWPX-OAHLLOKOSA-N 513.970 5.994 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(I)c(Cl)c2)c1C 2218788804 FEZBLHDHSNUYLQ-LLVKDONJSA-N 520.455 6.870 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)c(C)c1Br 2220157966 MWXYCCASZNTHPN-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2237456365 UQVJGQLEWVNUKG-SNVBAGLBSA-N 505.834 7.336 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc3c(c2Br)CCO3)c(I)c1 2238083536 ZETSHSGNSMXDIT-CQSZACIVSA-N 511.954 5.612 50 10 KKGE Cc1sc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(C)c1Br 2277892297 QRXFIBSJVFHOFZ-GFCCVEGCSA-N 531.933 7.331 50 10 KKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1cccc(Br)c1 2293940794 DVCGJZUFEDSYID-UHFFFAOYSA-N 507.549 5.420 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 2294156086 LVLUCWSXRIZLMT-UHFFFAOYSA-N 511.363 5.643 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@H](C)C2 2297458541 RSIVSABVZOHYEN-HNNXBMFYSA-N 505.552 5.763 50 10 KKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 2313521539 VRBGNCIIFMBANN-UHFFFAOYSA-N 515.778 6.986 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O 2314533114 OSZFSJAWQFUNGJ-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592263 PFOXPIQSRPVFQW-XMMPIXPASA-N 504.011 5.722 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314594090 YYCUWXRBZPABBE-DWACAAAGSA-N 509.675 6.422 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 2314616851 LCCMVXLWEWBECT-UHFFFAOYSA-N 528.612 5.691 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 2314634818 PGCLKSDZCZDVGH-UUWRZZSWSA-N 580.725 7.645 50 10 KKGE CC(C)(CCCl)C(=O)c1c(Br)c(Br)cc(Br)c1Br 2315435020 RSBPSUOORYDRPI-UHFFFAOYSA-N 526.288 6.574 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)C2CC(Br)C2)c1Br 2317420580 QIFHSIQTCAZUPK-OIAXGBPSSA-N 505.870 6.138 50 10 KKGE Clc1ccc([C@H](Br)Cc2cccc(Br)c2)c(I)c1 2317767738 AMHAINSSQFZUJL-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331348939 CPWLPWRGJCRICB-UHFFFAOYSA-N 505.353 5.143 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CN3C(=O)COc4ccc(Cl)cc43)n2)cc1C(C)C 2331358506 FOYPVOBEAXHUGG-UHFFFAOYSA-N 510.015 6.122 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)s1 2336072544 NEPOBKFGTFIHGY-GOSISDBHSA-N 506.181 7.593 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2340065246 KAKQOGZTQURJGB-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Cl[C@@H](C[C@@H]1CCC[C@@H]2C[C@H]12)c1c(Br)c(Br)cc(Br)c1Br 2358264610 PIASGMAGUFKWKX-ARHDFHRDSA-N 550.354 7.843 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Cl)c1 2362251585 BMXFJDFCILNBPV-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)c(Cl)s2)c1Br 2365194499 RIAWKPMPKSQRGB-NSHDSACASA-N 503.481 7.036 50 10 KKGE Brc1cc([C@@H](Br)c2cc3c(cc2Br)OCCC3)c(Br)s1 2369641022 VTHBVGUGQMAUMB-ZDUSSCGKSA-N 545.916 6.845 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@@H]1OCc1ccc(I)c(Br)c1 2377593130 DWWQAVSERZXGND-AEGPPILISA-N 518.027 5.291 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38660191 PJKZCDIHSUXAAY-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5CCCc6ccccc65)c(C)c43)coc2c1 40826957 JFKIZQPOWMVXMY-AWSUPERCSA-N 509.606 5.943 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 58892266 SEUGHXQPXWULAI-UAWDSHSBSA-N 517.582 5.265 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(Br)c1 100288097 FWJHCKMEKQOUNS-KRWDZBQOSA-N 538.442 5.363 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246471 KQGOMWNRFWFQGM-GQPXRJKTSA-N 552.483 6.629 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101367998 HQBNZIGWZBPXHM-WCRBMVSXSA-N 545.035 6.755 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OCC 101374706 LADLXKBQAOLUCB-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCCC(C)C 101375189 IUDBKCBASLRFJV-DEOSSOPVSA-N 618.555 6.408 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101381055 VNOWQLFLPXFFFR-MUUNZHRXSA-N 571.948 6.404 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 101381844 GGEWJRDHJRTBKQ-WYOOIXGGSA-N 560.650 6.980 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382724 OLVIERPQOPCPIL-KRMUNYKUSA-N 603.889 8.063 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384844 SVORKQQHHGOOPK-PBYQXAPXSA-N 605.449 7.303 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 101387208 ZJLKKQINGUAHAT-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101392787 OSAURNRJJXPAPB-AREMUKBSSA-N 575.415 6.348 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 101392982 HEPJUIIGDWCNMH-SSEXGKCCSA-N 569.013 6.374 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101396534 RTQKGBOKIXZCEO-AREMUKBSSA-N 553.442 7.008 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1 101396753 IBLQWVAOZXSKEX-RUZDIDTESA-N 531.033 7.171 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 101761573 VTXQJCNTHIMTPH-LDADJPATSA-N 550.833 5.963 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(Br)cc2)cc1 103741606 GVPLNWKMTNRREO-BSSRNLCFSA-N 532.463 6.131 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741985 NMRFFLFZUNHNFY-QPQMVVSWSA-N 597.332 5.954 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 103881122 VQRSVTDKXGYUCC-MZJWZYIUSA-N 585.354 5.687 50 10 KKGE O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105052236 SXFFMQGBMYAEGV-NSKAYECMSA-N 522.182 5.828 50 10 KKGE BrCC(CBr)(Cc1cc(Br)cs1)c1cccc(Br)c1 118671886 MUDZBOYFPMHMEP-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE Cc1ccc(O)cc1CC[C@@H]1C(=O)[C@H](Cl)C[C@@]2(C)[C@H]1C[C@@H](C)[C@]2(OC(=O)c1ccco1)C(=O)CCl 140024652 WTOLAOCETWEVLL-DSKBKTPHSA-N 521.437 5.489 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)cc1 150430735 WKERIMSXUNVSCA-WGNDPNKDSA-N 637.312 5.995 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150474230 BGXLITHRSQJIOA-HXUWFJFHSA-N 626.751 8.454 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccc(I)cc3)cc2)c2ccc(C)cc2)cc1Br 164601004 WJHZQXRWFZUMTD-QNKGDIEWSA-N 732.438 6.920 50 10 KKGE CC[Si](CC)(CC)OC[C@H]1OC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC 196176667 DFWVIFANXWWLOK-OVHUPFAXSA-N 635.196 9.105 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 205665379 IZQXDSIUDQHTNN-VKUZRJLXSA-N 500.554 6.103 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 214336295 XXAMYJUOIGDKHH-RQZLTBTFSA-N 542.639 6.680 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214359126 GNGDNNDKSJUCCJ-GTWSWNCMSA-N 554.650 6.653 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214390981 LABILJDIJXNUBW-FMCGGJTJSA-N 540.547 5.325 50 10 KKGE Cc1ccccc1-c1cc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c2ccccc2n1 252590857 AWDBLWDKCUEIOP-UHFFFAOYSA-N 510.391 6.997 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1 252637674 XVTJXGDGTFAYIL-UHFFFAOYSA-N 510.985 5.210 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CNc1ccc(I)cc1 253578441 YISRVTUENMWRAX-KEIPNQJHSA-N 638.598 6.819 50 10 KKGE COc1ccccc1OCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254306786 CPZIGTZUTTYHNO-UHFFFAOYSA-N 532.600 5.656 50 10 KKGE COc1cc(C=NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 254792293 UXELRRXXQXXZJV-WOJBJXKFSA-N 534.632 5.174 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1OCc1ccccc1 254871754 IXLKVLFWLVTVNN-UHFFFAOYSA-N 639.734 5.790 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2c1CCC2 256017312 DNUZXBDPSCXAFL-UHFFFAOYSA-N 528.030 5.810 50 10 KKGE CCCO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 388220495 BOPNRGIQXGDMQO-KPXOXKRLSA-N 526.967 5.103 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@@](C)=O)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H](O)[C@H]1O 504642262 MEIKKMCUTRNHMT-RSFRRQMASA-N 679.405 5.437 50 10 KKGE C1=CCC(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)=CC1 585658399 BQQAAKMMYIQWHN-UHFFFAOYSA-N 624.704 10.085 50 10 KKGE Cc1sc(Br)cc1[C@H](Cl)c1ccc(I)c(Br)c1 721590310 XGBXFEMKBSAKDN-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1 725440046 OYNVYZYPHRDNKH-JOCHJYFZSA-N 640.259 5.439 50 10 KKGE Cc1c(/C=C(\C#N)c2nc3ccccc3s2)c(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1ccccc1 1082888750 QNSBCYSLTKVAFB-LKNRODPVSA-N 539.689 8.442 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(=O)(=O)c1ccccc1 1083888972 UKFXFAJFPZWFSY-UHFFFAOYSA-N 619.958 6.409 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1083947577 CPVQXUDDEAMWBW-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(C)cc1 1083976061 HPCXYNYOXCWSPF-YDZHTSKRSA-N 566.439 6.740 50 10 KKGE Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(C)c3C)o2)ccc1Br 1084146365 XIMOEAXJHTWOCU-WJDWOHSUSA-N 514.217 6.943 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 1084176483 FRMJZHUQVMZOJA-VWLOTQADSA-N 516.594 5.085 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084179060 SXXSVOJWPOBLAH-WSDLNYQXSA-N 531.406 6.339 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084286307 XBFZEKMOTOGYDT-YDZHTSKRSA-N 588.458 5.872 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084361857 OMDKHQWBIXJCKY-HSZRJFAPSA-N 603.413 5.141 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(C)cc3)cc2Br)cc1 1084363545 QZPRKFBZZGLOBT-RUZDIDTESA-N 555.469 5.708 50 10 KKGE O=C(NN=Cc1ccc(Cl)cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084374104 SAAWPDOSVKCJJE-UHFFFAOYSA-N 535.087 6.182 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 1084432394 ITTNFYLHVKTCHV-UHFFFAOYSA-N 522.024 6.758 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CI)C1 1614617607 RNKPUVKCIOJQFI-MAUKXSAKSA-N 557.272 6.511 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614636076 NTYRBWNPHLRYMC-WMLDXEAASA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748258 VORVXLGZSYJALS-UHFFFAOYSA-N 503.602 6.318 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccc5ccccc35)CCC4)ccc21 1772749058 WCLVGOILYWFXPH-UHFFFAOYSA-N 554.650 7.592 50 10 KKGE COc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 1772756196 NRQTWSMPFOFSRH-MRXNPFEDSA-N 503.382 5.507 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Br)cc1 1772760334 CWBIVHGRUZHJAS-UHFFFAOYSA-N 526.412 5.420 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1856701567 NBJRFADZXIXCDP-MAUIDQGESA-N 672.642 5.353 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865691247 NRFVGDRUGLMVEH-QFIPXVFZSA-N 537.458 6.035 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865696079 XGRYSXNTIRZCFM-IBGZPJMESA-N 504.896 5.229 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OC 1865697709 ZWDRNELKQPWCSA-SANMLTNESA-N 527.024 6.598 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703594 CDRKBRBORYISDI-HKBQPEDESA-N 547.618 6.885 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704759 DBMRYXWBXJPRCY-MHZLTWQESA-N 555.034 5.983 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705077 LKKVNGNFCXWQTI-SANMLTNESA-N 575.452 6.496 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707492 XXMCCSMEUQMMJW-HSZRJFAPSA-N 549.414 5.846 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711376 WPMMSYHWOIYYNU-HSZRJFAPSA-N 536.941 6.497 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868300318 BBVRYFJCNLQKLI-SANMLTNESA-N 547.728 7.577 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868341927 DPOYXLCNGVPZEA-GDLZYMKVSA-N 519.718 7.978 50 10 KKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 1872790702 ZZVUYAGUBWAYGQ-HYARGMPZSA-N 513.449 8.913 50 10 KKGE Brc1csc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 1899850366 WHHJBDXHXRECGU-SFHVURJKSA-N 517.080 7.336 50 10 KKGE C[C@@H](Br)CCOc1c(I)cc(I)cc1I 1962369210 DIARVHLZOJWFTB-ZCFIWIBFSA-N 606.805 5.053 50 10 KKGE Clc1cc([C@@H](Cl)c2ccc(Br)cc2I)sc1Br 2026222420 YFUANLRVGKTWJD-JTQLQIEISA-N 526.846 6.859 50 10 KKGE COc1sc([C@@H](Br)c2cc(Br)ccc2I)cc1Br 2034630614 XMBVZGWERDJKQV-NSHDSACASA-N 566.878 6.371 50 10 KKGE CC1(C)[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(F)F 2141473212 MNIFZZRKDSUSMG-NXEZZACHSA-N 590.720 7.464 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]1CO2 2206396543 YCAUZMBBQUPEEO-OLCPAQQISA-N 552.326 6.832 50 10 KKGE COC[C@@H]1CC[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399004 BFTWGCJJMUGIOM-DNSOKLHBSA-N 598.793 7.235 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1Br 2258112384 KBXTWWGQBHAZMP-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Brc1cc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2263617130 CEAURFDCMNGMHD-SNVBAGLBSA-N 551.970 7.796 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1cc(Cl)ccc1I 2279047924 PKKRUSSAQIDXAF-CQSZACIVSA-N 506.392 6.744 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)c(C)c1F 2279147663 XKJPUZBPKYDQJV-CQSZACIVSA-N 532.416 6.947 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)c(C)c1Cl 2282787184 NNPUSDWACDWSRT-CQSZACIVSA-N 532.416 6.947 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2OC)cc1I 2284999280 OXCXOTWOLMXRKW-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Cc1ccccc1COc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 2293228268 LKVWUEWNSMYWMW-UHFFFAOYSA-N 551.668 6.537 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc2ccccc2c1 2294156008 CVSSYUPQTKTWRL-UHFFFAOYSA-N 527.374 6.425 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2scc(Br)c2Br)cc1Br 2295415892 CKNDEUNALRODOZ-LLVKDONJSA-N 549.904 6.537 50 10 KKGE Cn1nc(Br)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)n1 2299492318 HVSHLMBEQGORRZ-OAHLLOKOSA-N 516.031 5.403 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313568013 NNYWKWQBMFBRCH-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc2c(c1)OCO2 2313570650 BYUGINPJEZHOGG-UHFFFAOYSA-N 545.806 6.899 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(C)c1 2313570818 GUFCZEAPVHVVIO-UHFFFAOYSA-N 607.275 7.430 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592474 UXAPBMNPDIUEPE-AREMUKBSSA-N 515.610 6.023 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592709 ACNTYSBNGZEEJK-QHCPKHFHSA-N 541.551 5.440 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593371 LZGNCEUJVSVFRS-QHCPKHFHSA-N 542.444 5.728 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314616824 KNHVDWMAQLIJCO-SANMLTNESA-N 645.785 6.061 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314617389 XIPFNCHQHWRHLQ-UHFFFAOYSA-N 655.110 7.293 50 10 KKGE N#CC(=Cc1cccc(Br)c1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2329697232 YDOGTDVZNHGPRV-UHFFFAOYSA-N 549.226 6.444 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)c1 2331319576 LENRUKVIZOTUDD-UHFFFAOYSA-N 515.638 7.887 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)C=Cc2ccc(OCc3ccccc3)cc2)n1 2331411189 XSNKPXCGXBIEAE-UHFFFAOYSA-N 501.007 7.557 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)cc(Br)c3O)n2)cc1OC 2331417911 ADZWINHAOHZHNQ-UHFFFAOYSA-N 522.218 6.122 50 10 KKGE CC1(C)CC[C@]2(C(=O)n3cnc(-c4ccccn4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2333227924 NXUDOCUNEVFUGK-WFHRRZQHSA-N 618.822 7.805 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362234732 INFQCJTVGGDGGX-NSHDSACASA-N 554.248 7.390 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)c(Cl)c1 2365186708 SYYPEJMPLSBUGU-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Cc1cccc([C@H](Cl)c2c(C)cc(Br)c(F)c2Br)c1I 2365224060 UHNUDSHWUNYNKC-ZDUSSCGKSA-N 532.416 6.900 50 10 KKGE BrC[C@@H](COCc1cc(I)ccc1Br)c1ccccc1 2367272275 WYZUWABBIIROCU-AWEZNQCLSA-N 510.007 5.749 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1888939 MADWGEWHSLLJNX-ABPPERTMSA-N 506.002 5.264 50 10 KKGE Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1cc(Cl)ccc1Cl 2727458 DDIDIRIVRBTKBH-HFZDXXHNSA-N 519.501 7.496 50 10 KKGE O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 9202818 VMMJCWJMLVUDKN-AFUMVMLFSA-N 502.206 5.483 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCc2ccccc2)c(Br)c1 14832352 BCYOFGOAEPIPNX-GOSISDBHSA-N 511.416 5.382 50 10 KKGE COc1ccccc1NC(=O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)Nc3ccccc3OC)c2)ccc1[N+](=O)[O-] 33353736 WDOVTEXADZYHNG-UHFFFAOYSA-N 606.638 6.824 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 38608592 ACIPUHJUBFJWOW-CVKSISIWSA-N 526.564 5.604 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)c(OC)c1 38657180 QLWJXURKUZQETO-XDBZFTIUSA-N 514.578 5.418 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 38686422 KSANHEDQXYFSRN-NDEPHWFRSA-N 510.496 5.981 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 38686845 WZUGWMGAUHACIA-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 38700537 HNZGVDPKFTWVGW-AREMUKBSSA-N 520.969 5.583 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 40989652 GYTDDNJNVHFDDF-QGOAFFKASA-N 505.398 5.590 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 58894495 HMQJYZDKLJNXNK-XZZBMYDMSA-N 516.411 5.358 50 10 KKGE C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OCC 59483542 OPDQBQWEGDADHE-GDNBJRDFSA-N 508.743 5.454 50 10 KKGE Cc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 100142665 JIWBXEBHBJKNOT-GSYTWADSSA-N 594.136 7.542 50 10 KKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)cc1 100153710 OQYYKNPJXPTRLP-UHFFFAOYSA-N 542.268 5.401 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 100189009 PFTWYEXXMVJNLE-UHFFFAOYSA-N 556.482 5.010 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(Br)cc1 100312412 AHUXEARDDFMQEO-UVHMKAGCSA-N 558.226 6.309 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2cccc3ccccc23)c(I)c1 100453213 KRRLFPNJRYWRLM-XQFNZYGSSA-N 564.423 5.987 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246658 RFIXNXFHGVIJTG-GOHCDNDPSA-N 554.455 6.076 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 101303376 IPPSJZINPKUMOF-TURZUDJPSA-N 536.632 5.511 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 101334306 LFLDIAFOVMODCK-YKKQWCMESA-N 611.529 7.816 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1Cl 101365016 JLGLGNQHPUDOFB-JOCHJYFZSA-N 550.225 7.136 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cc(C)c(Cl)c(C)c5)ccc43)cc2)cc1 101378787 VYJHYUYSNWZVMW-JGCGQSQUSA-N 581.068 7.047 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382661 QIDGYCNIJYVKHJ-PMERELPUSA-N 573.432 6.775 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383902 RNCGSMPBVHMWHD-MGBGTMOVSA-N 564.613 6.731 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386050 XLBILONEGISGNF-WJOKGBTCSA-N 603.458 6.784 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)sc2c1 101392027 NFNCCYQZMATNCQ-QFIPXVFZSA-N 541.843 7.607 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399453 RADCQJIVOVYATD-WJOKGBTCSA-N 594.570 7.044 50 10 KKGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 101493521 UNVXXGLJOBNTBU-UHFFFAOYSA-N 550.156 5.552 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)c(CC)s2)cc1OC 101827208 UWOSETGJTIOVMQ-LTGZKZEYSA-N 568.537 7.648 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 102516554 ARXNDOLXSRYIOD-HPKGMJOESA-N 535.431 6.965 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 103789665 DRCOTMYLRSGPIZ-HYARGMPZSA-N 615.355 6.989 50 10 KKGE C#CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103795777 LKPLUSJBBIFNNY-ZCTHSVRISA-N 589.433 5.842 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 105049442 RCONFVQSMPHGAB-YVLHZVERSA-N 532.221 6.889 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)s2)cc1Br 128839414 RFBMJILTFZMUAK-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 150382775 RGWDRRRBEGBQID-HWSJQMDSSA-N 637.268 5.325 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150427173 QZQSCUHEDCNFMK-UHFFFAOYSA-N 679.985 5.803 50 10 KKGE CCCc1cc(O)nc(SCC(=O)Nc2ccc(SSc3ccc(NC(=O)CSc4nc(O)cc(CCC)n4)cc3)cc2)n1 150428214 YRJMZJVMTUGVCI-UHFFFAOYSA-N 668.892 6.844 50 10 KKGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)N(CCO[Si](C)(C)C(C)(C)C)c2ncccc2-c2ccccc21 204930549 ATTVJOXDCUSTNN-CVDCTZTESA-N 554.764 5.188 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N=[N+]=[N-] 206558683 KQJXHZRKNUECLZ-ADRJBETJSA-N 601.902 6.130 50 10 KKGE in-vitro O=[N+]([O-])c1ccccc1C[C@H](Br)c1cc(Br)ccc1I 232475223 RZRKBMDRLNOTSI-LBPRGKRZSA-N 510.951 5.641 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)c(C)cc1Br 235857170 PJJCPTKWUKJJAK-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 254838049 CSEIOLKOTQJEQM-PBVFXTQNSA-N 576.653 5.666 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\C[C@H](CCCO)C[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)(C)O[Si](CC)(CC)CC 725238763 YXNUEBDKPRQSQF-YYMIJYNRSA-N 701.282 13.038 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(I)cc1 1083930947 ANTOGSVLSFZSBM-LICLKQGHSA-N 672.144 7.884 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)Cc2ccccc2)cc1 1083974474 HOQXFNYAHPCWCV-UHFFFAOYSA-N 626.566 5.701 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Br)cc3)cc2Br)cc1 1083988382 MTDRINPPXYDQFN-RUZDIDTESA-N 634.365 6.552 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1OC 1083993111 BQKPYWVELIHYHG-UHFFFAOYSA-N 629.566 5.759 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccc(Cl)cc1 1084148803 HFEDRVJMQXGNNH-RGVLZGJSSA-N 572.830 6.695 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084169806 SBJIPTJGKIOXRZ-OEAKJJBVSA-N 521.444 7.554 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(Sc3nc(-c4ccc(F)cc4)cs3)c([N+](=O)[O-])c2)cc1 1084170653 KTZCLPUANHDGIO-RUZDIDTESA-N 580.663 6.371 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084259704 BNZNVSHNOCKKPM-VWLOTQADSA-N 712.661 7.592 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2ccc(C)cc2)cc1Br 1084531788 NGBSDGZIGBIQPW-UHFFFAOYSA-N 637.600 6.136 50 10 KKGE COC(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 1084598644 RPUFWQSIZYNQSC-UHFFFAOYSA-N 503.558 6.263 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccc(Br)cc1 1084653375 MZQVQHZCQUIPIA-UHFFFAOYSA-N 566.677 6.607 50 10 KKGE Cc1ccc(S(=O)(=O)NN=C2CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)cc1 1772748846 ONJUEYZEEARKAA-UHFFFAOYSA-N 528.634 5.398 50 10 KKGE BrCc1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(CBr)cc4)cc3)cc2)cc1 1848432908 RKZTYAWPCIQXCN-UHFFFAOYSA-N 524.300 5.815 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O 1848436614 OIGMHIMRSGHQEE-TXUAJXQNSA-N 926.263 6.456 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682119 GJDPSFUCDRRVNM-XMMPIXPASA-N 514.969 5.193 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 1865683122 GMFSQANZTMJSKG-HSZRJFAPSA-N 503.389 6.132 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 1865685236 GHCRHQSLEQTEAP-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687327 OOKUREGJRNQJDX-MHZLTWQESA-N 527.024 6.284 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689426 RURXDYMFPZLWSA-MUUNZHRXSA-N 575.496 6.915 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccccc3Cl)cc2)cc1 1865692078 AIUUTVMYPGSUHQ-HSZRJFAPSA-N 536.941 6.650 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865694417 XYIPFNZOGITCBH-QFIPXVFZSA-N 520.511 6.060 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)c1O 1865695628 FGFCAUOVGMRJGQ-JOCHJYFZSA-N 503.356 5.029 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865696776 KHBJIVCVXDATIG-FQEVSTJZSA-N 515.795 5.222 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701536 XPQAGDJUSVUWOY-PMERELPUSA-N 563.057 7.047 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703093 MUPCGLBHXDYKDC-WJOKGBTCSA-N 548.687 6.697 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707441 XBXRYRBANAMJJH-QHCPKHFHSA-N 549.414 5.846 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865710814 JFHNJVLIHJRGJJ-DEOSSOPVSA-N 559.420 5.546 50 10 KKGE C[C@@H](Cl)CNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865893228 XWVRXMWQARJDEI-KOLCDFICSA-N 508.616 5.251 50 10 KKGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1c(Br)cc(Br)cc1Br 1866128309 JMLAZTIUZVCNKN-BJMVGYQFSA-N 519.418 6.173 50 10 KKGE CC/C(=C\C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 1866687192 DIAZSFWEVZJYKP-VWTQUNACSA-N 531.703 6.119 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccc(F)c(C)c2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866759361 ABQIYWXVMAZPAB-YTMVLYRLSA-N 561.679 6.129 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867058711 ZSNSSZMKZMMUAH-LJAQVGFWSA-N 534.616 6.527 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3)cc2)n1 1872755729 CCOGWEWHCIQPGG-IORUJGRVSA-N 506.671 8.501 50 10 KKGE CCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1872781782 QSVYNLPDCUDRBB-RQZCQDPDSA-N 515.429 6.451 50 10 KKGE O=C(N[C@@H](CCSCC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893204354 DCGSZQLPLDHQFO-LGHDPPOTSA-N 504.446 5.275 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@@H]2OC 1903846638 KASDHRXLYQOAKZ-UPVIHTKVSA-N 810.466 5.719 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@@H]3CC[C@H]2O3)c1Br 1906733959 NTXYCZLLPXXVND-FJDLHZNMSA-N 509.883 6.039 50 10 KKGE Brc1cc(Br)c([C@H](Br)c2cc(Br)c(Br)s2)s1 1922930048 OMSBYWTWDJXBSV-SSDOTTSWSA-N 574.777 7.344 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3cscc3s2)c1Br 1924609332 WBOUFNWXDUEQJR-QMMMGPOBSA-N 551.970 7.796 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)s1 1951015878 GCGZLYRTGCGNDQ-ZCFIWIBFSA-N 544.353 7.543 50 10 KKGE Cc1nc([C@@H](Br)c2sc(Br)cc2Br)c(Br)s1 1980616210 ZDWIHFWLXLIVPJ-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE Cc1nc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)s1 2003567961 HOHYXPXCWXVZKR-SCSAIBSYSA-N 500.890 6.782 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)c(C)c2Br)ccc1I 2086020888 VFCWTXTUPDBVSP-NSHDSACASA-N 564.906 6.979 50 10 KKGE Cn1nc(COc2c(Br)cc(CBr)cc2Br)cc1Br 2111922952 PHITVSQMRLPLTO-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2139470686 OXKNYLROIWFJNI-IBGZPJMESA-N 503.775 5.585 50 10 KKGE C[C@@H]1OCCO[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469494 VOIDXOQLAXOEIB-OECDLBLWSA-N 542.287 5.820 50 10 KKGE Cc1nc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)s1 2141469561 BEAHLWYYEXXBPR-VIFPVBQESA-N 618.208 7.592 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC(F)(F)C1 2141471776 VYFSDHNPRFQYRW-SNVBAGLBSA-N 590.720 7.608 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3c(Br)cccc3Br)c1)OCC2 2150493243 JZNYKYUZUHGAKT-CQSZACIVSA-N 525.860 6.393 50 10 KKGE Cn1cc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)n1 2218598791 WVSPVPLCFKFPRM-JTQLQIEISA-N 505.805 5.331 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(I)sn2)cc1C 2220437211 IWWAEJHIAJYYRW-GFCCVEGCSA-N 502.997 5.312 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1cc(Br)ccc1I 2229155767 WRLKWMRVQPIIRC-LBPRGKRZSA-N 579.295 7.148 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)c(Cl)cc2F)c1 2232223867 TUFYEGISOLZFOJ-CQSZACIVSA-N 518.389 6.639 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Cl)c(C)c1Br 2235606022 UWGPKOQSOSDZGS-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)cc1C 2236017599 LDVOGWSMUIVHNL-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Br 2270434114 JOLXYRNSWOTDSE-ZDUSSCGKSA-N 536.258 7.251 50 10 KKGE COc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)cc1OC 2279288064 NUTOOTOWUOKAKE-NSHDSACASA-N 505.453 6.428 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(C=Cc3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 2297413531 OUBSJZNXCKQCTJ-SSEXGKCCSA-N 515.573 6.380 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(C)cc1 2313571143 OGJVJJNIRSJSOH-UHFFFAOYSA-N 521.444 7.554 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571268 RCJOMDHQZLZAON-UHFFFAOYSA-N 554.630 7.673 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2[nH]1 2314414646 HNEJXFWJFWQKGF-UHFFFAOYSA-N 511.560 7.198 50 10 KKGE Fc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2314452371 MKMJYDJQQROZIZ-HXUWFJFHSA-N 531.590 7.100 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCC(=O)Nc1ccccc1 2314499104 IZQGSLQOUDTWIQ-UHFFFAOYSA-N 517.610 7.054 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314616578 FALVTEBJYOUQLS-UHFFFAOYSA-N 543.019 6.119 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c1 2314617141 RMDZAJQEPNIPIY-UHFFFAOYSA-N 542.639 6.429 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 2314640694 OKMOSDFLGOYASO-UMSFTDKQSA-N 556.662 7.400 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646766 NARVFQPPLYRDHA-YTTGMZPUSA-N 684.749 6.174 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1OCC 2328833333 WLWIDIHKWRTLLT-VWLOTQADSA-N 505.700 6.214 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccc(Br)s2)c1Br 2339652945 DPGGHUBDLJYGAZ-LLVKDONJSA-N 533.905 6.837 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@H]1OCc1ccc(I)c(Br)c1 2350040173 RZPVARZAHZTHHU-UONOGXRCSA-N 502.028 5.913 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Br)c1ccc(Cl)cc1I 2365597425 GRHURAVQVAJDLK-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE C[C@](CI)(OCc1c(Br)cccc1Br)c1ccccc1 2366144792 JLAZRPFNEMFMDD-MRXNPFEDSA-N 510.007 6.079 50 10 KKGE CCc1ccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1 3058812 LWYXZXGCQPQUOG-SLEBQGDGSA-N 506.027 6.028 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 14640702 VWBCBXBRKFNNOD-UHFFFAOYSA-N 509.444 6.001 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 38660880 JKGHVYCRAFJZLO-SLQAJWMNSA-N 522.532 6.209 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc1Cl 38687072 YLFXFFWBMBEVRH-XMMPIXPASA-N 509.389 6.563 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)oc2c1 38688293 GLHAGJWBJODXRX-VWLOTQADSA-N 519.384 7.102 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 40514731 CBWPFIBNQJLEPS-LQKURTRISA-N 516.576 6.088 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(OC)c1OC 40951456 QQPZAZDBXHDAFI-CVKSISIWSA-N 507.425 5.082 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 58891455 GVBGVPFKTBAULJ-KPHTWCJLSA-N 517.025 6.435 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 100883481 QBOSXLNOCNGYRK-QOMWVZHYSA-N 558.613 7.202 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 101337742 ISESCHPGZGKOFI-NTESWFFVSA-N 625.128 8.125 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCCC)c(OC)c2)c1 101367802 OUWMEUMVJOYCRP-PMERELPUSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101375471 CLDTUIXOJINUER-MGBGTMOVSA-N 584.713 7.517 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc(OC)c1OC 101383730 JDUXXVVFCIYYRK-SSEXGKCCSA-N 582.584 5.868 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387282 UOQAOCKJXXWUBH-MGBGTMOVSA-N 580.612 6.233 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101388997 JLAIFWNOSWWLGO-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602152 HVYPMJIBNREMJB-OCSSWDANSA-N 534.878 5.891 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2 101603343 DRZKTJGCEDJGMA-RDRPBHBLSA-N 525.219 6.924 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(OC)cc3)CCC4)ccc21 101603949 ZUBFPLAJUGCPOA-YQCHCMBFSA-N 534.616 6.447 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612471 KJXGXNVZOUQSSU-BIZUNTBRSA-N 537.403 5.931 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)C)cc1Br 101762456 REAJSKLWUUIMHJ-FYJGNVAPSA-N 543.458 5.777 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 102416192 NEQNHSFSWTZVIG-SILNSSARSA-N 576.074 7.096 50 10 KKGE C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1Cl)N(C(=O)CCl)c1ccc(Br)cc1F 102777237 FDAJMXZAISUJKP-YFYZNPQRSA-N 530.265 6.250 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(=O)OCC)c1C 102924543 CFRMJXPXPUCVIG-XSFVSMFZSA-N 523.680 6.709 50 10 KKGE N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 102930705 FILSLRYBXCLPMP-FOWTUZBSSA-N 516.804 5.449 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104998087 NPZCHANTLLIIOS-IADYIPOJSA-N 551.199 5.341 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151503 KRJFKEWJSLGZNG-LAVOGLJOSA-N 544.684 6.605 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 109844377 QIYHVMKMDWAGSB-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118921004 YAHXNVGUCZQYAB-QXFGDZDJSA-N 535.651 9.113 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 150463106 KPYZURLXIDKBQI-ZNBSHBAVSA-N 653.160 5.898 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 150498698 YKABPCLNPIVTPY-IURWMYGYSA-N 651.435 8.100 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 163406943 JIPOTSWDRLHZJU-KBVAKVRCSA-N 638.535 5.502 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206397799 RELRIFHSCGUXID-HBVFLMOXSA-N 535.600 5.610 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 214254984 ZBZAAKJCVNDKTD-ATGXDJACSA-N 583.714 5.105 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 214386255 UYGZWQQPFHBSOX-YUMHPJSZSA-N 572.621 5.768 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1I 232344734 MEQWBMMFDSXABA-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)sc2Br)c(OC)c1Br 234991502 SUTWDIXHYLMHCD-NSHDSACASA-N 505.453 6.381 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@@H]2COC3(CCCCC3)O[C@]21C 248138630 AVIXBZQDRWPISB-JJEZKPMQSA-N 520.786 7.450 50 10 KKGE COc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc(OC)c1OC 252611237 IIAMLUIVALHJEP-UHFFFAOYSA-N 535.398 5.092 50 10 KKGE COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 253578891 YXHDSFFSPSBZFP-PTEHHBOZSA-N 622.763 8.823 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1 254557519 DKKNUIDCXGCEFR-UHFFFAOYSA-N 578.672 7.461 50 10 KKGE CCCOc1ccc(C(C)=NNC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1 254734532 HBKUMVUCJJDYNT-UHFFFAOYSA-N 555.700 6.021 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)CCl)CC[C@@]34C)[C@@H]12 254741553 AFPUQLBJNOEKFF-DTQVNJDESA-N 505.227 8.894 50 10 KKGE ClCc1nc2c(Br)cccc2n1-c1ccc(I)cc1Br 380892474 ZYSPXVPQAVXAIW-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE COc1ccc(Br)cc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382686980 GFHXHTVIWQEKJL-YJBOKZPZSA-N 530.200 5.245 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591117 WUWBJKZWDLYUSB-DUWVOHMTSA-N 684.943 5.808 50 10 KKGE c1ccc(P(c2ccccc2)c2ccc3c(c2)[C@@]2(c4ccccc4-3)c3ccccc3-c3c2ccc2oc4ccccc4c32)cc1 642814174 ODFCIYHLYZSYDR-QLKFWGTOSA-N 590.662 9.688 50 10 KKGE Cc1cccc(P(c2ccccc2)C2CCCCC2)c1-c1c(C)cccc1P(c1ccccc1)C1CCCCC1 642814179 OYSAXWINBWETMR-UHFFFAOYSA-N 562.718 9.501 50 10 KKGE CCn1cc([C@H](Br)c2cc(Br)sc2Br)nc1Br 698498904 WHWSXUIRZVVSCC-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE C[C@H](CCC(=O)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 1076000420 PRCMMETVWMEYKS-OMDKQRAUSA-N 649.070 6.282 50 10 KKGE CN1CCN(CCCOc2ccc([C@H](C(=O)Nc3ccc(-n4cc(CNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]56)nn4)cc3)N(C(=O)CCl)c3cccc(C(C)(C)C)c3)cc2)CC1 1082548678 LSCMDDVUTVJIOG-XCIZVNRNSA-N 913.590 5.875 50 10 KKGE COC(=O)[C@@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083803580 FQWUSGHMQPXVGW-WOOLOMBHSA-N 890.093 8.077 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)cc1 1083918144 CZEXVRBJVDKVGS-UHFFFAOYSA-N 530.650 5.111 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 1083932307 BJKFEUUUXGQWOJ-JOCHJYFZSA-N 510.974 5.010 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccccc2F)cc1 1084012790 NQGHHURPAVDMKY-PXLXIMEGSA-N 534.418 7.665 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 1084032045 IORQCPUYIVSXRH-QFIPXVFZSA-N 564.249 5.894 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1cccc2ccccc12 1084156149 ITDILMBYHDOCLF-UHFFFAOYSA-N 554.444 6.745 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(C=NNC(=O)CCCSc2nc3ccccc3s2)o1 1084249751 UJDOVCNFSIXXPO-UHFFFAOYSA-N 500.045 6.453 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 1084274725 MAMXJGHNPCEBQG-VWLOTQADSA-N 525.443 5.699 50 10 KKGE Cc1cc(C=NNC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Br)cc1 1084348326 IALIASMSXDEMJB-UHFFFAOYSA-N 530.491 6.810 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084444589 KHPAYZNLMLFNST-UHFFFAOYSA-N 642.937 7.940 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2Br)c1 1084459222 ZVONDHZEIZTACC-QHCPKHFHSA-N 560.286 6.063 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Cl)cc1Cl 1084467998 WNRCRDUFZAVJAF-UHFFFAOYSA-N 505.199 6.674 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 1084506852 PFHKQTVSISIVFQ-QHCPKHFHSA-N 684.312 5.837 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(Br)c1 1084550356 LMRQDTUEGGHBMS-UHFFFAOYSA-N 528.472 5.308 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 1084604254 NYLOLIHTEAWYAP-UHFFFAOYSA-N 564.085 7.848 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Br)c1)c1cc2ccccc2o1 1084610517 LHVBFAMSELXOCT-UHFFFAOYSA-N 609.645 6.796 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 1084639485 DQBCTCUENHJAGN-QFIPXVFZSA-N 578.834 5.496 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 1084647727 OOQPFRUPTRQTEN-XMMPIXPASA-N 646.478 5.360 50 10 KKGE O=S(=O)(/N=C1\c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)[C@@H](Br)[C@H]1Br)c1ccc(Cl)cc1 1542993182 IRHPAVCNBONRKT-RMHXXXDPSA-N 665.212 5.890 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccc(Cl)cc1 1772753978 AIROAGLAVKTRLD-UHFFFAOYSA-N 517.807 5.528 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865691397 QUKKGNKAAOCJSY-OAQYLSRUSA-N 543.849 5.866 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc(Cl)c2)cc1OC 1865696021 JUGCZFRKEAMZNI-AREMUKBSSA-N 521.061 6.664 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccccc1Cl 1865702874 HHYOXRQCKPXWTO-RUZDIDTESA-N 512.997 6.208 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703966 JQYLBLWWRHGFBL-AREMUKBSSA-N 500.961 5.830 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704323 SLVNWVUIRWNBOP-OAQYLSRUSA-N 523.902 5.737 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704443 VXZOXDBZGLVIRV-SSEXGKCCSA-N 530.603 6.583 50 10 KKGE N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1c(Br)cc(Br)cc1Br 1866127426 HHHZJKAHIGCZPV-BJMVGYQFSA-N 502.963 5.659 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccccc2)c2cccc(F)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866772469 NZZQOFDODDNUKD-FIRIVFDPSA-N 581.669 6.212 50 10 KKGE CC[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867130894 YMADRZANFCTQFG-CJFMBICVSA-N 566.521 6.281 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)c1 1868231841 UBXVPJTVJJIWCF-LJAQVGFWSA-N 507.663 7.077 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1 1872745161 XPDDCCULQYKYLI-GYHWCHFESA-N 516.579 5.930 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c[nH]c4ccccc34)cs2)cc(Br)c1OC 1872753394 VAAYGBCCWOVHRG-FGIKVGENSA-N 508.397 6.577 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872758113 METGXXHJUZEZOQ-IOTIXCTPSA-N 501.608 5.939 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1 1872793223 OCPBCPUMWKMYBF-PXLXIMEGSA-N 515.078 8.413 50 10 KKGE [C-]#[N+]CCc1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951428249 FHDQJZZAAYNMLH-UHFFFAOYSA-N 623.998 5.309 50 10 KKGE CC(C)[C@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782630 NZTGEGHBAWQBSK-PWCHPLFNSA-N 512.305 7.309 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=CC=Cc3ccccc3OC)n2-c2ccc(Cl)cc2)cc1 2038147557 LQKBZXDRJTYPNN-UHFFFAOYSA-N 534.041 5.512 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c1C 2082883088 DFKPDWKKBJXEFP-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CC1(C)C[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501254 XHXCJGQZTLILHN-RNFRBKRXSA-N 568.767 7.609 50 10 KKGE Brc1ccccc1[C@H](Br)CCc1c(Br)cccc1Br 2113442477 RKZQIMPPOANVLT-OAHLLOKOSA-N 511.877 7.043 50 10 KKGE CCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2141469949 XXYPVSZMEOOSFT-DDZXGWPLSA-N 583.782 6.561 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1 2173213189 VKYJOMQSTVAUOX-MRVPVSSYSA-N 519.446 7.875 50 10 KKGE C[C@@H](c1cc(Br)cs1)N(C)c1c(CBr)ccc(Br)c1Cl 2186575947 KGRIGTLAVIDBJK-QMMMGPOBSA-N 502.497 7.019 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cccc(Br)c2Br)c1Br 2201063234 CKBODAOJPUZQHU-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE C[C@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CC(C)(C)C 2206406280 XOYFSCVDDDUSDB-LDYMZIIASA-N 554.386 8.479 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Br)ccc2I)c1C 2218787249 HYRGMZAUISSBGI-LLVKDONJSA-N 520.455 6.823 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1 2224314077 XCUYPYQEZPAGBO-MRVPVSSYSA-N 512.254 6.390 50 10 KKGE CCc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1Cl 2232174704 CHMSSDXMCQXTDG-ZCFIWIBFSA-N 511.892 6.360 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc(Br)cc3c2OCC3)c1 2240995622 IJLSWTIBJGQEGC-HNNXBMFYSA-N 507.991 5.781 50 10 KKGE Clc1ccc([C@@H](Cl)c2cc3sc(Br)cc3s2)cc1I 2278088885 LGLBHBGRISCRMU-CYBMUJFWSA-N 504.039 7.312 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 2293561048 QCUKYUNRCQMASA-UHFFFAOYSA-N 512.997 5.587 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc(O)c2ccccc2n1 2296546187 SDKFLBXWBSZHKG-UHFFFAOYSA-N 556.025 7.485 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 2297491141 BAKFEJDEGZDPNI-UHFFFAOYSA-N 528.362 6.635 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C)cc1 2313566848 BTNUWEUWRPDNCQ-UHFFFAOYSA-N 560.492 5.991 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 2313568911 YSNYONIAKKURAS-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314591660 AQSAPBNDIMVUDM-AREMUKBSSA-N 576.516 6.646 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(Cl)cc2I)C1 2317800226 INHOMNFITVNCSI-SFHVURJKSA-N 591.655 5.666 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@H](C)N3C(=O)c4ccccc4C3=O)n2)cc1Cl 2331396596 SYKZMEUSPPVBFZ-NSHDSACASA-N 500.363 5.603 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@@H]1O2 2333303656 NVXCNKPVNWZNMG-QKFVSYFCSA-N 538.299 6.584 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2338028292 TYUYVEPHBVTDPQ-AWEZNQCLSA-N 518.027 6.691 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(C(F)(F)F)ccc1Br 2369434145 UUSSTILHILTEEA-HNNXBMFYSA-N 509.160 5.568 50 10 KKGE CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)COc1ccc(Cl)cc1Br 14768883 QQIJVVNQZYVKGB-NRFANRHFSA-N 517.807 5.153 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739801 NEADWSBCPRCFNL-GPSDDGMOSA-N 508.430 6.367 50 10 KKGE COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(/C=C/c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 20616402 WUMPMFXIFJDDFE-XYMYLSAOSA-N 500.602 6.480 50 10 KKGE CN1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(Br)c2)/C(=C\c2cccc(Br)c2)C1 33653126 KCXUAJINCYCVHB-RCZJECKNSA-N 513.233 5.302 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1 35446018 YNFLTWDPOGPOOL-TWKHWXDSSA-N 517.610 6.457 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)cc1 35447281 SIGPAFGLOJCXDY-PGMHBOJBSA-N 512.997 6.536 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 38679622 HAXQOJDATFZLKD-HXUWFJFHSA-N 506.172 6.738 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1 38701385 FCYNBVUKWFZKQV-VWLOTQADSA-N 500.938 6.231 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232717 KVFREOJTGVRPTR-RQZCQDPDSA-N 580.693 7.933 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 100335822 QRHHFOOBTWDFRV-WOJGMQOQSA-N 542.227 6.345 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101303417 YQKPVTKJYMQFDF-VUTHCHCSSA-N 526.596 5.897 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101337600 ILUWXNMXZHMYHH-XGRSMDHESA-N 542.639 6.600 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338025 ZSNFWVLDTJTIRR-TURZUDJPSA-N 514.585 5.383 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101339833 VNOVOGOKTJEKEP-FSJBWODESA-N 557.002 5.839 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 101340098 VTYNTXWPSCQLOX-AFUMVMLFSA-N 512.537 5.214 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)C2=O)cc1 101340115 PJNYKWFONYAVPU-WPWMEQJKSA-N 623.507 6.154 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101372179 BDXZJHZXIIHMBJ-WJOKGBTCSA-N 558.631 5.865 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385098 QFIDRFXDARISTH-WJOKGBTCSA-N 532.596 6.328 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1F 101386824 PGFRYDIBWKORBS-MGBGTMOVSA-N 580.612 6.233 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101392040 SNBBSFVYHYXJQR-FQEVSTJZSA-N 562.261 7.952 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 101395997 XGHCIHXVECAEDW-YTTGMZPUSA-N 594.708 8.153 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccccc6c5C)ccc43)c2)cc1 101398220 KGVLMXHRKWCPQS-HKBQPEDESA-N 542.591 7.066 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399482 IOGQJYRDIWXIRW-JGCGQSQUSA-N 590.607 7.214 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 101405783 IXSQKKGSLJSIBW-IZQLPPHKSA-N 553.423 5.170 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103741889 WAAIGPJHOQMXEX-ABPPERTMSA-N 566.908 5.888 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccncc1 103806429 IWCWWPMTVNGWQW-FJEPWZHXSA-N 580.607 5.315 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 103806488 UJKHBXHLJSKXES-CHQVQAOYSA-N 575.628 5.392 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Cl)c1O 103879313 LPNNXZVGNKSQAE-WKULSOCRSA-N 538.829 6.347 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1 103881133 KSBVFQKGPNPYPY-UVHMKAGCSA-N 605.226 6.151 50 10 KKGE CC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 105443236 OMQNKAIBLFSOGM-BUGLYGKISA-N 537.019 6.092 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484348 PTCPNZSLFBVYOC-WJOKGBTCSA-N 672.348 8.090 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 150635774 RBGBDKCEOWQSFS-QGYJZDEZSA-N 642.500 6.102 50 10 KKGE c1ccc(P(c2ccccc2)[C@H]2C[C@@H](P(c3ccccc3)c3ccccc3)[C@@H](P(c3ccccc3)c3ccccc3)[C@H]2P(c2ccccc2)c2ccccc2)cc1 198217309 AWEUEWFTYYDDAK-SQUBJWGUSA-N 806.847 10.396 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395181 QMTRRGMBNMYYFE-UMNNAPQRSA-N 554.643 6.115 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)c(C)c1 214421065 CNMMBGSHUVTSEB-VEILYXNESA-N 552.631 5.182 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215666557 CXEJHJXCKOQGRK-NDXBRDTJSA-N 618.771 5.452 50 10 KKGE biogenic Cc1cc(Br)c([C@H](Br)c2ccc(F)c(Br)c2)cc1Br 235822190 BTWXDGHLNRPBBX-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Clc1ccc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)c1 236060240 WRNYHVXAQRGCLJ-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)O[C@H](c2cccnc2)[P@@](=O)(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)O[C@@H]2C[C@@H](C(C)C)CC[C@H]2C)cc1 245266191 JBWIQTGKLBLKDA-FVMLDNHOSA-N 650.797 9.387 50 10 KKGE CC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530116 FYWPUSMWQOIDNY-YCQKPUPNSA-N 535.651 9.113 50 10 KKGE biogenic CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)c1 253561341 CAERBENVJBUONK-STKMKYKTSA-N 540.712 6.375 50 10 KKGE CCCCn1c2ccccc2n2c(C(=O)NN=C3C(=O)N(C)c4ccc(C)cc43)c(-c3ccccc3)nc12 254395074 HGWOFPYTNIBNOI-UHFFFAOYSA-N 504.594 5.175 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNC(=O)CNc1cccc(C(F)(F)F)c1 254442706 XVQFTOKHPOMWKE-UHFFFAOYSA-N 518.754 5.781 50 10 KKGE aggregator C/C(C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)=C/c1ccccc1 254482175 CWHGJDQEJVCBBH-DTPLIWJYSA-N 509.679 6.529 50 10 KKGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)c(Cl)c1 254713404 BYDSAPYANUCUHE-QGZVFWFLSA-N 509.393 5.880 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(OC(=O)[C@@]34CC[C@@](C)([C@H]3Br)C4(C)C)cc1)[C@H]2Br 256019796 FKKFFJHEXDKKMS-VCSJMPMMSA-N 567.362 6.710 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@H]23)ccc1OCc1ccc(Cl)cc1Cl 256025721 MDCBUTPELFXVJH-KEFONLHDSA-N 606.574 6.888 50 10 KKGE Fc1ccc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Br 380019165 SYQXAFPVVVQPGW-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE O=C(NN=C[C@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@@](F)(C(F)(F)F)C4(F)F)cc2)cc1 575732340 UPUXRHBPMMZVJF-YESWTIQYSA-N 742.561 8.034 50 10 KKGE CN1c2c(cc(Br)cc2P(c2ccccc2)c2ccccc2)CCc2cc(Br)cc(P(c3ccccc3)c3ccccc3)c21 642813772 WUAGBZYYYYTJIW-UHFFFAOYSA-N 735.440 8.595 50 10 KKGE C[C@@H]1CCCN(C(=O)c2cc(Br)ccc2I)[C@@H]1CCBr 697199971 JFEWGSZIBDUOCE-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE O=C(NC1(CCBr)CCCCC1)c1ccc(I)c(Br)c1 721601951 JJQDTRJRFOFUNU-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](OC(=O)[C@@](OC)(c4ccccc4)C(F)(F)F)C(C)C)CC[C@@H]3[C@H]12 725239075 WKBJJVNVHWVMMW-FPBWPQOOSA-N 919.295 12.278 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1 725396430 MLSAIJDTMTWXEO-XMMPIXPASA-N 575.887 6.053 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)c2ccc(C)cc2)cc1 1084352402 ZPHHATYCRAGOKH-UHFFFAOYSA-N 625.614 6.233 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084424342 FOTAHEGTRNDTJV-UHFFFAOYSA-N 518.194 6.845 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 1084486046 DVGSJEOIWUIWGT-VWLOTQADSA-N 522.001 5.162 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1 1084549389 DMTGKIYTVRLHOP-LICLKQGHSA-N 580.693 7.933 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)OC 1084595970 DSOXFOVLKIPGLQ-NTUHNPAUSA-N 575.186 5.094 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614300979 JPRVDBMEXBSKEF-KSPGGCRUSA-N 868.491 9.778 50 10 KKGE FC(F)(F)c1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)cc(C(F)(F)F)c1 1614619467 XBVRVQAZQFJWGJ-MAUKXSAKSA-N 513.263 6.375 50 10 KKGE C=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC1=O)[C@H](C)C[C@@H]2OC 1848357778 QOPPKWCRXKAHTN-NPTASCMRSA-N 932.366 9.270 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684727 WSQYGMPTIFKHRQ-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)ccc1OCc1ccccc1 1865687511 SQPDWSRWXDCHIC-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1 1865690190 LASIAFSEBXTUJL-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865691923 DYPYIUKBGXCCKL-QHCPKHFHSA-N 537.458 5.911 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865692856 GHSPUMXTYAYKAK-MUUNZHRXSA-N 520.633 6.231 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695416 OLRQPHQUONDLFY-MUUNZHRXSA-N 506.606 5.939 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705373 UFZAHOXZPOPLDY-NDEPHWFRSA-N 534.616 5.557 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(Cl)c1O 1865707523 YPJKOCWWAULARN-MRXNPFEDSA-N 511.287 5.189 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(=O)O)cc1 1865708454 ACBRTGQEFVCBCJ-JOCHJYFZSA-N 517.372 5.822 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n1)C2 1868300313 AYMDAVPDCVIYOT-UHFFFAOYSA-N 577.754 8.008 50 10 KKGE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C1 1868544779 KDOHVJXZBYUNCR-QFIPXVFZSA-N 549.744 8.487 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C1=O 1872749012 XNJHEUKHDCIDIL-FXBPSFAMSA-N 514.390 5.699 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C/c3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1C 1872794594 KSAUMGMWZRJXMW-GIJQJNRQSA-N 513.457 7.058 50 10 KKGE CC(C)(C)OC(=O)N[C@H](CBr)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1883109920 FTEUKZKREWGJFJ-DEOSSOPVSA-N 526.471 6.675 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cnsc1Br 1900430923 CDLNAIKMFXXWQF-INIZCTEOSA-N 518.068 6.731 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc(C3CC3)cc2)c1Br 1924568200 CTXHERJPKSTYBN-LLVKDONJSA-N 529.917 7.397 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2sccc2Br)c1Br 2024294221 KULLBGIGKZKVEE-NSHDSACASA-N 503.879 6.828 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCO2)c1Br 2025779288 FNGONIMKRHAGJK-RDDDGLTNSA-N 556.712 6.352 50 10 KKGE O=S1(=O)CCC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467890 DQEFMAFAHHAMLI-HQJQHLMTSA-N 604.778 5.750 50 10 KKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(OC)c1Cl 2150344949 XBQZNYBWOWJDHO-SECBINFHSA-N 505.453 6.428 50 10 KKGE CC1(C)[C@@H]2CC([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206399797 LPPRDHGPUQLTGQ-DNSOKLHBSA-N 594.805 7.855 50 10 KKGE Brc1sc(C[C@@H](Br)COCc2ccccc2)c(Br)c1Br 2209348702 FOPDFWSNXWHRSJ-SNVBAGLBSA-N 547.932 6.558 50 10 KKGE C[C@@H]1C[C@@H](n2c(CCl)nc3cc(Br)c(Br)cc32)CN(Cc2ccccc2)C1 2234074791 OAPADLVRWGYCMI-GDBMZVCRSA-N 511.689 6.383 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(I)c(Cl)c2)c(F)c1Br 2236111444 UYCOBQAQCUNJOP-LLVKDONJSA-N 540.342 6.609 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1F 2279147662 XKJPUZBPKYDQJV-AWEZNQCLSA-N 532.416 6.947 50 10 KKGE COc1ccc([C@H](Cl)c2c(Br)cccc2Br)c(Br)c1Cl 2283553345 KIGMIFFRFNDVDU-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)n1 2288354947 DGNVJGMLEQENCA-JTQLQIEISA-N 537.822 5.953 50 10 KKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 2294155915 CJFBBXINNVFRKV-UHFFFAOYSA-N 505.361 6.759 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)C(C#N)=C2c2ccccc2)cc1 2295838624 VWWVIIOXTFMZAM-UHFFFAOYSA-N 514.585 5.686 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2c1CC[C@@H](C)C2 2297458982 OBPNPXGRCJLBSV-OAHLLOKOSA-N 528.552 6.874 50 10 KKGE Clc1cc(I)c([C@H](Br)Cc2ccccc2I)s1 2300953082 FILNLOYWKQLMLP-MRVPVSSYSA-N 553.428 6.289 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521598 YRPQHKTTZWWRMI-UHFFFAOYSA-N 556.800 6.534 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc2ccccc12 2313571500 XURUTPJYTWRVDX-UHFFFAOYSA-N 596.308 8.432 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630486 MDHROUIFVFPKMD-UHFFFAOYSA-N 552.881 7.039 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1C 2314593334 LHYGTMMKDKQNSR-QHCPKHFHSA-N 525.552 5.658 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C(C)=C(C#N)C1=O 2314618027 GBJRCOXPLKXFLJ-UHFFFAOYSA-N 593.083 6.400 50 10 KKGE Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646621 GEEQCOLORHPYMZ-HHHXNRCGSA-N 588.689 5.073 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1OCc1ccccc1Cl 2328799928 XKLAMUOTJDEQEW-QHCPKHFHSA-N 504.027 5.317 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331281248 ZAMXEAJXZDPQSK-LLVKDONJSA-N 506.765 6.394 50 10 KKGE CC(C)[C@@H](C(O)=C(C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331358811 QQUBXYCAVNTLJK-SANMLTNESA-N 521.598 6.716 50 10 KKGE C[C@H]1CCC[C@](CBr)(OCc2ccc(I)c(Br)c2)C1 2350054384 ASFNKVKACBQMBZ-NHYWBVRUSA-N 502.028 5.914 50 10 KKGE Fc1ccccc1[C@H](CI)OCc1cc(I)ccc1Br 2367602051 PGOMCRUVLSTUNH-HNNXBMFYSA-N 560.970 5.886 50 10 KKGE BrC[C@@]12CCCC[C@H]1CN(Cc1ccc(I)c(Br)c1)C2 2377355207 PUOOSILPXOYBNQ-XJKSGUPXSA-N 513.055 5.441 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2scc(Br)c2Br)c1 2381240360 GDWGMDXNGLTEDF-LBPRGKRZSA-N 503.481 6.935 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc2c1CC[C@@H](C)C2 6167568 CQBWACGTHDQXQT-NHTOUQLOSA-N 621.756 6.017 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 38605581 GQJLFXMXEKZQME-WGOQTCKBSA-N 510.663 6.290 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686528 LOOAYEVKCNFORW-PMERELPUSA-N 504.542 5.468 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc([N+](=O)[O-])cc3)c(C)c2cc1Cl 38688237 KGOIOLOVZPZJET-XMMPIXPASA-N 515.909 6.049 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823285 ZSEPTIKZBARNDG-PNQUVVCRSA-N 513.797 5.483 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 40864584 HABIHGHSFHUXCE-DGWJHYHPSA-N 522.000 7.611 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100192107 IGYMGVIEOCBQBY-UHFFFAOYSA-N 615.116 5.756 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1 100234165 FYYHWXKWHIGSRH-FMLCXWAVSA-N 560.094 6.689 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 100237075 VQHDUBUKPIHYFU-ZUKORFBESA-N 555.027 5.409 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 100327854 RHQBOEJYJUXYPA-GXZQEHIMSA-N 558.416 5.151 50 10 KKGE CCc1ccccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921742 RNGFQGZVJFSDEO-DOPJRALCSA-N 508.092 5.873 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C1=O 101231041 JYZMTBFHKMMCCK-MTDXEUNCSA-N 561.041 6.550 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2=O)cc1 101339884 UZXLHWQYWMZPEA-JVWAILMASA-N 535.003 5.994 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OC 101367772 MAEQUSCYLBUUCP-LJAQVGFWSA-N 563.050 6.347 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(C(C)C)cc5)ccc43)cc2)cc1 101378890 GOQGYBHJUPORGV-YUYWZBKDSA-N 574.677 7.289 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380992 MREPYBPQGYCKKX-GFJKYASSSA-N 564.613 6.558 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381109 GEHXRVBBSAOGGB-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101381527 KDVJNGSONKKYLS-PMERELPUSA-N 573.432 6.775 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384181 HCHYJRBQZTXVPY-LJDOSMTPSA-N 548.570 6.250 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387721 BBUSKGFODONFHK-RQXKZLRTSA-N 572.661 7.118 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101393270 XSJWDKRUVFEEMZ-LJAQVGFWSA-N 617.496 7.519 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399644 XFHPDZYYHMCFOB-UUWRZZSWSA-N 600.671 7.773 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c1C 102853092 AOODOMKLTMNBPH-STZFKDTASA-N 550.434 5.513 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 102970624 VQQYRDKQRVSQBY-XMHGGMMESA-N 532.572 6.417 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4ccc(C)cc4C)c3C)sc3c2CCCC3)cc1 103794383 QYLLAMOZYHHLCY-DPNNOFEESA-N 553.732 7.368 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 105436840 RJGZHUZNWFDIFX-ZCTHSVRISA-N 549.627 6.904 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)COc1ccc2cc(Br)ccc2c1Br 150389036 DJCFTTXZLQXRQC-UHFFFAOYSA-N 725.051 5.370 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433624 XCASJPALRFDGEZ-PMERELPUSA-N 666.355 8.171 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 150463326 HVJQOUCDOFRZLQ-BEMJDZQPSA-N 632.742 5.635 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 196193876 DIMYHZDULFSWLS-AQOOQRIZSA-N 641.142 11.150 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 205650094 KSZMCMCYYSMSBX-VDSXKBOSSA-N 586.688 7.409 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214241530 PWOYISXPGMCPMN-OFWBYEQRSA-N 564.730 7.445 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 214393888 DDANPOVSOVPUPG-MIXAMLLLSA-N 590.655 6.658 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Br)ccc2I)sc1Br 236038737 FVPGVEXJVTYGLI-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(I)ccc2Br)cc1Br 236214200 PHAGKJNHCIDPPU-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)nccc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 247542342 SOGOMPJANKBXFD-PFHLPCBSSA-N 609.049 7.714 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccc(O)cc2)n1-c1ccccc1 252643810 ZXCPEXBHHCQGNI-SFHVURJKSA-N 521.046 5.178 50 10 KKGE N#CC1=C(N)n2c(sc(=Cc3ccc(OCc4ccccc4Cl)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 252670764 LQOPTVCSNOBGFH-XIFFEERXSA-N 663.586 6.326 50 10 KKGE C[C@H](CCCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CCC2(C[C@@H]1C[C@H]3O[Si](C)(C)C(C)(C)C)OCCO2 253610073 ZDVCXQFUENFUQE-JEQOCKOZSA-N 550.897 6.768 50 10 KKGE in-vitro Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2-c2ccccc2)cc1 254442172 OLOORCPETVAYLA-UHFFFAOYSA-N 586.695 7.738 50 10 KKGE CCc1nc2ccccc2c(C(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)c1C 254751472 KSOKRRJDZBNFFD-UHFFFAOYSA-N 519.523 6.349 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 254760932 DQKYPCXDCBSFRE-UHFFFAOYSA-N 544.640 5.094 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1OCc1ccccc1 254880249 XSCQOTVKFNMGJJ-UHFFFAOYSA-N 564.667 5.524 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]4[C@@]34C=C[C@@]2(C1)[C@@H]1C(=O)OC(=O)[C@@H]14 256407824 BPXYDBBZMNFAEY-KMJPRVFGSA-N 536.753 6.907 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 575232483 UHCDRCBBCZLXBO-PJZAUNNGSA-N 641.186 12.671 50 10 KKGE CON(C)C(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 725238857 XZQBRLRNHXZLEG-GRRYOOJWSA-N 674.055 7.997 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cc(C)cc(C)c4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725393492 NAUOZGIZDLHCSB-JRJABSJZSA-N 662.812 6.652 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 725408568 CUOZDVNCPGIECL-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 725424118 YLXYDLGEOXZPPH-GIJQJNRQSA-N 546.248 7.198 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 1083844317 CYUURTRJWCXYPF-DEOSSOPVSA-N 716.208 6.758 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)Cc2ccccc2)cc1 1084075166 PEAMNQGJUSLHBU-UHFFFAOYSA-N 599.540 5.751 50 10 KKGE O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2cccc(Cl)c2)cc1 1084137960 IDXDVJDXIFBYMS-UHFFFAOYSA-N 612.933 6.027 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2c(C)cccc2C)c1C)S(=O)(=O)c1ccccc1 1084175922 NRNOSOGXAFTTOJ-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 1084249247 JAQMMWBGVIRGAI-UHFFFAOYSA-N 531.102 7.795 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1cccc(N2CCCC2=O)c1 1084304004 HMAXIPZZQHVVNH-UHFFFAOYSA-N 566.750 6.543 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(C)c1 1084401260 KWPZHVKTQVWBDL-UHFFFAOYSA-N 586.280 7.008 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C 1084417675 PZJRAIMAOHEANT-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc2ccccc12 1084534751 NLSMMZSILQQZTJ-UHFFFAOYSA-N 529.390 6.700 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CCC(C)C 1772720293 HZBNHPVEKMXZBD-UHFFFAOYSA-N 555.476 6.500 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccc(Cl)cc1 1772756052 XYRHPNSRNGARJS-UHFFFAOYSA-N 545.861 6.308 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1ccc(Br)cc1 1772760539 SWPLNLZLCPNNQJ-UHFFFAOYSA-N 525.428 5.155 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3ccccc3)cc2)cc1 1865694464 YIUYRUKNAZXYMO-LJAQVGFWSA-N 510.597 6.645 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694550 WZNOKKMGKUCUMT-LJQANCHMSA-N 523.342 6.264 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCCCc1ccccc1 1865696512 GPWRUBHYLDDRDU-LJAQVGFWSA-N 524.596 5.617 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703767 FIXAGZHTRFYLCB-LJAQVGFWSA-N 563.032 7.188 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704558 YSPHRFWXIHYOFQ-HHHXNRCGSA-N 579.459 6.745 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1 1865706727 DFLBXZHQUSHJGW-LJAQVGFWSA-N 524.628 6.179 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865707322 UIJDPDZNJGLUJF-JGCGQSQUSA-N 551.694 7.152 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712245 TXLBGKKFJSCEGM-WJOKGBTCSA-N 554.650 6.713 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866956694 XMUSGFBHQFFNJZ-NSOVKSMOSA-N 529.662 5.599 50 10 KKGE COc1ccc([C@H](CC(=O)NC(C)(C)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867139556 QISNHHLWGKXFIX-JOCHJYFZSA-N 508.043 5.977 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1868253264 DSYKSMQXUYUCKS-HSZRJFAPSA-N 549.100 5.317 50 10 KKGE COc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872729026 JFYZVIQUJJEFMN-OVCLIPMQSA-N 547.778 6.978 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c(OC)c1OC 1872759098 DQSHLRPMTVKDIC-XLNRJJMWSA-N 508.556 5.294 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2coc(Br)c2)c1 1899862783 UZPGDIILTBGJLO-GOSISDBHSA-N 501.012 6.868 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915329945 WNKFWRXMXAHVGP-INIZCTEOSA-N 527.166 6.131 50 10 KKGE Cl[C@H](c1ccc(Br)s1)c1c(Br)sc(Br)c1Br 1924579218 BSLQAVYMJVDZMO-SSDOTTSWSA-N 530.326 7.188 50 10 KKGE CCCC[C@@H](CC)[C@H](Br)c1c(Br)sc(Br)c1Br 1924583292 IHIPLASOKBQUME-APPZFPTMSA-N 511.943 7.688 50 10 KKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H]1Br 2020189915 BTYNRCOXSJNAFC-WATHFIQWSA-N 510.915 5.860 50 10 KKGE O=C(CCCCCl)c1c(Br)c(Br)cc(Br)c1Br 2025781450 GULALHUNGRIJPA-UHFFFAOYSA-N 512.261 6.328 50 10 KKGE Cc1ccc([C@@H](Br)c2csc(Br)c2Br)c(C)c1Br 2032958722 KYDJDJPAIAJQMR-LLVKDONJSA-N 517.906 7.137 50 10 KKGE CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012762 POHNLKHHAZMWED-WXIDFSQRSA-N 644.617 10.491 50 10 KKGE C[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085493569 DGUHNTXZCVYCBM-RYUDHWBXSA-N 570.739 6.742 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Cl 2085494485 LYFUPCFVNBYMLV-CQZAFVHCSA-N 525.304 6.015 50 10 KKGE FC(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496590 XCTHAKXOVCKPOR-ZFSUVSKUSA-N 576.693 7.074 50 10 KKGE CC(C)(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc(CBr)c1F 2123254227 JYAGOULZYWDXFS-UHFFFAOYSA-N 507.263 5.720 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]32)c1Br 2141473034 KDMOJQLJXIBSAE-OUDXYJABSA-N 580.778 7.609 50 10 KKGE ClCc1nc2cnccc2n1-c1cc(Br)c(I)c(Br)c1 2151778611 ORRQBCDHZMFJHU-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE Fc1cc(Cl)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206394157 FOVNUCXEUACHQI-ZDUSSCGKSA-N 570.703 7.857 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399869 MOADXDZANUBVMZ-GFCCVEGCSA-N 655.642 8.292 50 10 KKGE CC(C)(CC(F)(F)F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206400137 PTGLOFVOBRJJBB-SNVBAGLBSA-N 610.726 8.151 50 10 KKGE Cc1ccc(Cl)c([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206402142 PEYBXIGAERIGEX-LBPRGKRZSA-N 611.191 8.183 50 10 KKGE Fc1cccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206405605 NCJMQXYCBYMSCX-LBPRGKRZSA-N 554.248 7.343 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2F)c(C)c1Cl 2232531248 ZFUPDGYZPNOBIF-CQSZACIVSA-N 532.416 6.947 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Cl)c2)c(C)c1Br 2235605024 PWZOJISUEMKWBK-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(F)cccc2I)c1C 2255902320 QLASLBGCQREDCR-LLVKDONJSA-N 504.000 6.355 50 10 KKGE Cc1nn(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2277951790 AWHGAWNITHUNJW-LLVKDONJSA-N 515.869 5.695 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277966367 SGIORPOATWVZCZ-ZDUSSCGKSA-N 515.840 6.792 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1cc(Br)c(Br)cc1F 2285944103 QVFDWWBSNDQZGS-AWEZNQCLSA-N 533.830 7.045 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198265 OOOZITRURIPGGG-JOCHJYFZSA-N 512.418 5.638 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccccc1OCc1cccc(C(F)(F)F)c1 2295672658 KNAYZNTYGPJMCP-UHFFFAOYSA-N 542.579 7.192 50 10 KKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3cccc(Br)c3)cs1)oc1ccccc12 2295934399 QGMDZYIJGUCZQP-UHFFFAOYSA-N 502.393 7.457 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2296515860 VUNSKLXNHPLZTO-GXFNGWHUSA-N 641.142 11.582 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Cl)cc3)nc12 2296723142 DGYGUMIYQIMUMK-UHFFFAOYSA-N 556.825 5.550 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C(=O)O)cc1 2297506218 FIWNTOFSHCHYSJ-UHFFFAOYSA-N 521.367 5.589 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCc1cccc2ccccc12 2313510955 GCQDXCYHXHSFHM-UHFFFAOYSA-N 588.445 7.195 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccccc4)c(NC(=O)c4ccc(C)cc4)s3)o2)cc1 2314432956 ILBQAPXSIQHPTJ-UHFFFAOYSA-N 559.647 7.872 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594015 XMKVRZNUAJYGAX-RBISFHTESA-N 509.675 6.170 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C(C)=C(C#N)C2=O)cc1OC 2314617108 QXBZQNDHOORMPO-UHFFFAOYSA-N 579.056 6.045 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634157 UIDVGFSVLPQHAM-MUUNZHRXSA-N 535.427 7.009 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 2331459118 NPHUCEYPBWHGPR-UHFFFAOYSA-N 501.421 7.353 50 10 KKGE COc1cc(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)c1O 2331492656 DHJWULZKGIOVFA-UHFFFAOYSA-N 503.374 5.377 50 10 KKGE CCN(C[C@@](C)(CI)OCc1ccc(Cl)c(Cl)c1C)C(=O)OC(C)(C)C 2339411010 KXWKFVWXZCRGJK-LJQANCHMSA-N 516.247 6.269 50 10 KKGE CCC[C@H](CC)OC(=O)N/N=C/c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 2357019041 REKMPAAKHLVULD-RDEYSDNESA-N 627.746 5.819 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)c1Br 2362226717 WTUYENUABUGAEO-NSHDSACASA-N 615.154 8.013 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cccc(OCc3ccccc3)c2)c1Br 2365222729 GLQAOAAOXZYQOE-NRFANRHFSA-N 510.653 7.436 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Cl)c2cc(Br)ccc2I)c1 2366874652 FIBRQCDOISFGTI-AWEZNQCLSA-N 504.420 7.273 50 10 KKGE Cl[C@H](C[C@@H]1CC[C@@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2367951210 MSLSLVGBMUZTOH-YGOYTEALSA-N 550.354 7.843 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1790178 QNNVGRVICDDQTK-SCIJIFGBSA-N 556.844 6.307 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)[nH]n2)cc(Br)c1OCc1ccccc1Cl 2946083 IBXOWHAOIBTDGD-CCVNUDIWSA-N 539.817 5.844 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C=O 8437610 VZSPQCMFLSGTPO-ZNEBBSDWSA-O 648.795 6.257 50 10 KKGE in-vitro CC/C(=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)c1ccccc1 8781262 CEBLSNJPTAZFDX-QYQHSDTDSA-N 520.456 5.719 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(Br)c1 14832317 NNUMRURPSQMLSV-KRWDZBQOSA-N 524.415 5.055 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCC)C(=O)C(C#N)=C2C)cc1F 38603430 RMPDXZGPXXYGQU-LFVJCYFKSA-N 512.585 5.860 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38650886 FOLCCOHINCENON-MHZLTWQESA-N 504.970 5.721 50 10 KKGE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 39858900 QLOXVYKTEIUNFU-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815564 NWKVBNUJDZBBKY-JJNGWGCYSA-N 521.617 6.228 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(C)cc1 40924401 KCUYHTXWHLPVDE-RWPZCVJISA-N 503.649 5.949 50 10 KKGE Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 59305326 YOPJMOCHJCZVCB-QXUDOOCXSA-N 521.064 7.586 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 100141858 YQNZREPAGXARTP-UHFFFAOYSA-N 532.666 5.156 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1 100227434 OESMZONZKPZDTN-ZMIIAFDNSA-N 551.481 6.119 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCc3ccccc31)[C@@H]2Br 100921732 GZARDUOORNEQQO-BVGQSLNGSA-N 506.076 5.262 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101336703 GSJGEWSHTFQMKM-ZCTHSVRISA-N 566.617 6.504 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Cl 101339500 FMSKIZVFHLSJLW-JVWAILMASA-N 563.057 6.692 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc(C)c1Cl 101363589 PKSMCNSJRYQQLC-DEOSSOPVSA-N 539.813 5.922 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101368354 LJQFJIYJIMQWAS-SONOPUAISA-N 546.595 5.850 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)cc1OC 101372118 HPKAHBIVVRZZOJ-RDPPTWFYSA-N 559.062 7.145 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1 101378138 YRRSCPPVQCCGND-HKBQPEDESA-N 526.633 6.411 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5Cl)ccc43)cc2)cc1 101378525 XCNQEEKLXXXPSI-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379055 JVMVRQKSIXXZEY-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385226 BCOPOASHMRHSSK-NDTAFNIQSA-N 579.052 7.073 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)ccc1OCc1ccc(C)cc1 101387661 PLTURQGZKITVQP-WJOKGBTCSA-N 611.492 7.173 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388727 RLPPHZGBMDMPLU-JXNPFXPLSA-N 625.121 7.471 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389148 HQCKQQZVGPCIAY-IYLMVCPTSA-N 622.693 7.518 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 101389215 AAVMAAQDTPIJTG-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101393096 NNXJAFSLZOVUHE-NDEPHWFRSA-N 542.563 6.505 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc([N+](=O)[O-])cc3)CCC4)ccc21 101597165 GIUWCKQWBVZYFD-IWBSIUBASA-N 549.587 6.347 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1 103884412 FRFYQDMIFMSZLO-LGUFXXKBSA-N 542.477 6.012 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Br)c1 104767400 GXRQNLBLNBEZBC-ZTKZIYFRSA-N 548.510 5.838 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc(C)cc1 105151793 ICBGPIZQHLWKFC-OVKKOYPGSA-N 574.492 5.010 50 10 KKGE Fc1ccc(C(CBr)(CBr)Cc2ccc(I)cc2)cc1 118877253 BTSAIDQSPQJGIT-UHFFFAOYSA-N 511.998 5.701 50 10 KKGE BrCC(CBr)(Cc1ccc(Br)cc1)c1ccc(Br)cc1 118878610 NZKYYAVUUQYVPU-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(F)cc3)c(I)c2)cc1 150429312 WWCMIVDYKSSTFB-PCYMAAINSA-N 655.302 6.134 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 150441891 JYTVDWDXAPVXSW-JGCGQSQUSA-N 628.037 6.428 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1F 150442847 GYNIXIUUXSBQMT-SANMLTNESA-N 738.810 9.273 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 150481923 CVMKPRNUYVWKLS-HHHXNRCGSA-N 633.940 8.878 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)oc2ccc(Br)cc12 150482658 UGDCQOSEWODBSN-PMERELPUSA-N 625.450 7.659 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 214326260 OCQAUOQRZADHNS-DETJWLHLSA-N 570.649 5.890 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c1 214326967 GAZSHAVKOOPQJM-IOGUJBTOSA-N 536.632 5.489 50 10 KKGE O=C(NN=Cc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C=NNC(=O)Nc3ccccc3)cc2)cc1)Nc1ccccc1 254302809 OZKLUQOFQLAQCL-LOYHVIPDSA-N 594.628 5.155 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2ccc(OC(=O)/C=C\c3ccccc3)cc2)cc1 254449460 OOWBCFXGECVIGF-GSMRYDDSSA-N 576.609 5.045 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCc2ccc(Br)cc2)C1 303740645 ARYHMTWGFUZPPK-SFHVURJKSA-N 510.210 5.170 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](CI)[C@H](c2cc(Br)cc(Br)c2)C1 382729530 SZSMNBFDTKRBGB-FZMZJTMJSA-N 545.053 5.597 50 10 KKGE C[C@@H](CCc1ccc(O)cc1)N(Cc1ccc(O)cc1)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 504374485 RCRHYSIURXFCOG-YUDQIZAISA-N 521.774 7.390 50 10 KKGE in-vitro CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C)(C(C)C)C(C)C 605696348 VMDTYXALDGTNQY-OQFVEXAISA-N 621.035 11.255 50 10 KKGE in-vitro CC(C)(C)OC(=O)NCCN1c2ccccc2CC[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616667473 BQOMJQLPYKJIKJ-HHHXNRCGSA-N 510.795 7.270 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H](CO)COCCCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 725238657 UZPLWCOYGSTIRK-QFIPXVFZSA-N 552.789 6.843 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 725431438 DFLQMWOUVRQPMS-PMERELPUSA-N 543.092 6.286 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1 1083890417 PEYFWWUBFIGQMT-UHFFFAOYSA-N 566.952 7.875 50 10 KKGE N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)N1CCN(c2ccccc2)CC1 1083892486 MIUUSKAVYMSJJW-PTGBLXJZSA-N 549.412 5.126 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(Br)c2)c1C)S(=O)(=O)c1ccccc1 1084123252 KUJDCIZBTXEKBJ-UHFFFAOYSA-N 629.964 5.864 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 1084135600 QLKPESIJNWWNSB-VCHYOVAHSA-N 516.222 7.189 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(Cl)cc1 1084434066 HGSDQKAUNXDMNQ-ATVHPVEESA-N 515.780 6.810 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084510748 DVXGUGLVZVOMSL-LZYBPNLTSA-N 536.198 7.123 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(I)cc3)c(OCC)c2)cc1 1084600607 FTLKUTILKQKTBC-VWLOTQADSA-N 728.365 6.236 50 10 KKGE CN(C(=O)c1ccc(Cl)cc1)[C@@H]1CCc2ccccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613966648 CCINNYAEVRLEKJ-VPYCKZQSSA-N 530.934 5.851 50 10 KKGE CCCOc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 1772755768 RFSMAJWMQITCDK-UHFFFAOYSA-N 505.453 5.853 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 1848435229 KNWRANWQYPIVSF-FYENCZOESA-N 641.540 5.967 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(Cl)c(Cl)c1 1865687830 BDNILUIPMIUDGS-NRFANRHFSA-N 545.348 6.637 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688592 VZKKHDGPJSCYKR-FQEVSTJZSA-N 564.267 6.217 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865689763 VWTGWUAKXBMSCZ-WJOKGBTCSA-N 534.660 6.361 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc(Br)ccc1F 1865702229 PUUNPUDTHINUQQ-QFIPXVFZSA-N 553.794 6.511 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865702983 JXQICAGOMBHUSZ-SANMLTNESA-N 527.422 6.049 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OCc1ccc(Cl)cc1Cl 1865704076 MJZSLPKANOKHEJ-NRFANRHFSA-N 567.395 6.670 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1OCc1cccc(C)c1 1865706249 RICJBOPNTWINBF-QHCPKHFHSA-N 566.967 6.659 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706826 GLECKZKTDFNTBD-HHHXNRCGSA-N 543.668 5.070 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(C(F)(F)F)cc1 1865710766 HQOUYRSPOSURKR-INIZCTEOSA-N 516.804 5.980 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714046 BGQKDMIDOLSHHN-JOCHJYFZSA-N 578.264 6.291 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866759640 FCPXITKHXRZFGM-VPUSJEBWSA-N 503.643 6.203 50 10 KKGE Cc1ccc(C)c2c1C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544469 GOWBVAOCMOWDHL-NRFANRHFSA-N 533.745 8.705 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCCCc1ccccc1 1872782336 FLBAXJAXWMBEOA-MTDXEUNCSA-N 502.639 8.048 50 10 KKGE CN(CC1CC(Br)C1)[C@@H](CN)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1887885232 FJKOPEPHGTYFNQ-HEIUKZKOSA-N 509.488 5.950 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)S(=O)(=O)c1cc(Br)c(C)cc1Br 1915077267 HNKFIWYCMMFREL-HNNXBMFYSA-N 554.142 5.884 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]3CC[C@H]2C3)c1Br 1924584501 YOKOQVCFJZMIPW-LKHWLPBLSA-N 507.911 6.908 50 10 KKGE Cc1cc(C)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585010 GDGXPWUQGGRPSH-SNVBAGLBSA-N 517.906 7.137 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC[C@@H]3C[C@H]3CC2)c1Br 1924616034 KADBHHKGKCHLLJ-NQMVMOMDSA-N 521.938 7.298 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(I)sn2)c(Br)c1 2056488635 XJYYKVBFZAYNNT-GFCCVEGCSA-N 502.997 5.393 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c1Br 2138851889 QQLLSZSLYJLFOS-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141795292 WBISMFGUTHFMJW-ODHVRURNSA-N 537.937 6.534 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCC2(CC2)C1 2206394595 ICSKUMUMZVVSDJ-RTHLEPHNSA-N 550.354 7.987 50 10 KKGE Cc1cc(F)ccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398382 URTFGGJFHJGRFK-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)n1 2224306162 ZXUZJIAAQQOCCI-MRVPVSSYSA-N 512.254 6.390 50 10 KKGE COc1cc(F)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2226032286 IRRHSHCPEPOQOJ-SECBINFHSA-N 537.868 6.668 50 10 KKGE ClCc1nc2cccc(Br)c2n1-c1ccc(Br)cc1I 2240006775 MPHUPUNECPPFEG-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CC1CC2(C1)CC([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2287687152 WMZQUIMIJHTVEC-FVBBEJJLSA-N 594.805 7.999 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1Cn1nc(C)c(Br)c1C 2295669999 WUQZITXUBROOHS-UHFFFAOYSA-N 507.432 5.790 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)cc2C=C(C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 2295670011 YFWDJNIBBMSHMB-UHFFFAOYSA-N 543.967 5.723 50 10 KKGE CCOC(=O)c1c(C)[nH]c(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1Cc1cc(Cl)ccc1Cl 2297579111 DOGPLDKBOOYRRC-UHFFFAOYSA-N 556.902 8.239 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1)C(=Cc1cccs1)NC(=O)c1ccccc1 2297710333 BZJLIWXKKKSGGK-UHFFFAOYSA-N 643.313 6.007 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2299528466 RUHOJQMYPMDVIC-LJQANCHMSA-N 515.039 7.176 50 10 KKGE Cc1oc(Br)cc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299534832 ICXLPUZTGJMJNA-LJQANCHMSA-N 515.039 7.176 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571408 VTTKHGANHKXVQG-UHFFFAOYSA-N 594.192 6.631 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](CC)C2 2314571147 BUQGWMMXJAEAJR-FQEVSTJZSA-N 514.647 6.564 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592168 MZJBXFKRQGXMLN-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593268 KMNQPRVFMRTOFZ-SANMLTNESA-N 550.511 6.859 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314616798 JZQCPIYUSHBXLP-UHFFFAOYSA-N 557.002 5.839 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC(C)C)cc3)C(C)=C(C#N)C2=O)cc1OC 2314616926 MYSVGZAAOSVHLC-UHFFFAOYSA-N 602.691 6.179 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C(C)=C(C#N)C1=O 2314619040 YTZCTIKXNPRAID-OAQYLSRUSA-N 536.632 5.190 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314640774 XJWARASZNOUCRJ-GDLZYMKVSA-N 515.009 6.746 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(CC)cccc4CC)C3)n2)cc1 2331318415 JCNATEIHHQSFDY-JOCHJYFZSA-N 501.652 6.569 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 2331440054 VTSQTLDTSIORIG-UHFFFAOYSA-N 510.059 6.564 50 10 KKGE FC1(F)CCN(Cc2ccc(I)c(Br)c2)CC[C@@H]1Br 2349834333 KHNGXTYJBGCJEG-LBPRGKRZSA-N 508.970 5.048 50 10 KKGE FC1(F)CC2(C1)C[C@]2(CBr)Cc1ccc(I)c(Br)c1 2349841987 VROZZADXLZBUTC-LBPRGKRZSA-N 505.966 5.797 50 10 KKGE BrCCN(Cc1ccsc1)Cc1ccc(I)c(Br)c1 2349857204 PMBQHJQZAGIMKP-UHFFFAOYSA-N 515.052 5.512 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(I)c(Cl)c1 2360436102 NWVWSXKBYKTGAZ-GFCCVEGCSA-N 528.801 7.481 50 10 KKGE FC(F)(F)C12CC([C@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2363911302 TZTQSNXXCWOTRF-STOUBEHRSA-N 563.853 6.583 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)c(C)s2)c1Br 2365218688 MKFUAOLZCVTNRS-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE Cn1c(/C(C#N)=C\c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccn3c2=O)nc2ccccc21 33793313 STVNJPKEQWYGFL-QOMWVZHYSA-N 522.612 5.852 50 10 KKGE CCCc1nc(N2CCCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 37378587 FRVLLNYVXZCAAX-RUZDIDTESA-N 521.040 5.234 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(CCC(C)C)nc(N3CCCN(C(=O)C(C)(C)CCl)CC3)c12 37379626 XMDUKEWTVKOAMI-UHFFFAOYSA-N 515.077 5.155 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccccc1Cl 38650978 NNTYHKWTMOUFBC-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 38680869 OHDGDOAFVLYWOB-MHZLTWQESA-N 518.953 5.116 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811749 HJZBPYOJTKNTLZ-TURZUDJPSA-N 510.388 5.472 50 10 KKGE Cc1ccc(COc2ccc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccc(C)c3)cc2)cc1 48572412 NKFPOWOGBMXAAV-FMFFXOCNSA-N 500.602 6.499 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 59460601 GTFGZLSCZRBTML-QOMWVZHYSA-N 510.373 5.160 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 59679832 RYYDRAZVIYFPGU-QLQYKETESA-N 526.615 7.359 50 10 KKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 59680037 ATTZZRNNHIZGFE-AUEPDCJTSA-N 512.585 5.940 50 10 KKGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100143655 VNWOJWFOFZIRKN-UHFFFAOYSA-N 609.340 5.114 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 100188229 WBALZANQMTYZRZ-UHFFFAOYSA-N 531.234 5.115 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227662 WKOWSJHTGSWSPQ-WOJGMQOQSA-N 603.800 6.376 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc(C)c3)cc2Br)cc1 100233455 GKYWUUDQEVFCPA-PEHSQKLVSA-N 555.469 5.708 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2C#N)cc1 100234574 NLAKOSAJQUPNMV-ZSYYNXLFSA-N 536.426 5.262 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 100236896 GKWYAWANXHAHPD-HQYUJTHISA-N 546.407 5.843 50 10 KKGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)N(CC(C)C)c3ccc(C)cc31)C(=O)N2CC(C)C 100870091 DRKIPOBMBUDVMZ-WXKOKIAESA-N 628.818 5.770 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101065565 KKKGDQIRQYHHJH-OGLMXYFKSA-N 523.412 5.683 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193626 PXOUGMFVKLWYRE-VZUCSPMQSA-N 519.228 7.837 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243294 CVEMKBHPDGQINQ-YJTZCDGXSA-N 530.093 6.767 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243917 UOKUBEXIVLKJGO-RNMXVCEXSA-N 532.065 6.042 50 10 KKGE COc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337998 UHXXLBWXZCHLHS-NZYROCMPSA-N 547.438 6.934 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 101339703 NTWWJCSZSRSZJC-LQKURTRISA-N 572.621 5.848 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101339766 VWWLKDJDNSUVPD-VCHYOVAHSA-N 507.329 5.775 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)c1 101369048 DJJWZBJZGTXHDO-AREMUKBSSA-N 549.421 6.074 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1c(F)cccc1Cl 101371390 UZFFUMZJPNYMDZ-INIZCTEOSA-N 540.803 5.377 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 101372448 FCHCBKUHDRAFHG-NDEPHWFRSA-N 543.576 6.000 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101373938 ODUIJQVURLIUAQ-HHHXNRCGSA-N 529.549 5.610 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OCC 101374728 LQDHKLVTLRCDOW-MUUNZHRXSA-N 533.024 6.745 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1OC 101375337 MLLJOHOUUSDGKZ-VCXKGRAASA-N 552.671 7.190 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101375639 QOYKHGMSOPDGRO-GDLZYMKVSA-N 592.048 7.043 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384726 DIAXOAFTOOXKNU-PMERELPUSA-N 587.459 7.408 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101386342 KRXSRLSUOWPDPY-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1F 101388999 KPYYJBVBYNNUNU-MGBGTMOVSA-N 594.639 6.623 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4)c3)sc2c1 101398051 WHFGOPSQNGEDNZ-LJAQVGFWSA-N 579.077 7.880 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)c(C)c2c1 101399319 IDGGNKWCGCLYTM-XIFFEERXSA-N 621.089 7.982 50 10 KKGE O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12)c1ccccc1[N+](=O)[O-] 102739208 KRYFZGLHYKFDDY-VBQLZTBCSA-N 576.996 5.215 50 10 KKGE CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)C(=O)Nc3ccc(SC(F)F)cc3)=C2N2CCOCC2)cc1 102941975 LPUVZZZJMYEFTJ-TZZJZTKFSA-N 564.702 6.700 50 10 KKGE Cc1ccccc1SCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 105455998 FTXBFFIGDOESAK-STBIYBPSSA-N 526.643 5.681 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(O)ccc2ccccc12 105590266 SQBJPEHXOGAYHV-HRXXRIAWSA-N 612.497 5.171 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC 150480687 BBOALOVSIPYUJZ-SSEXGKCCSA-N 633.484 7.036 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 164217369 GGRFDUGEURAZGJ-XBQJKBNESA-N 654.634 7.417 50 10 KKGE CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 169682276 UISXOAJBTYXLPL-JHLGLVPZSA-N 633.701 6.787 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)[C@@H]1OB(c2ccc(B3Oc4ccccc4[C@H](P(=O)(c4ccccc4)c4ccccc4)O3)cc2)Oc2ccccc21 195786534 FOMOARGIJBIDAN-CXNSMIOJSA-N 742.322 7.321 50 10 KKGE C[Si](C)(OC1=C2C(=O)c3ccccc3C(O[Si](C)(C)c3ccccc3)=C2C(=O)c2ccccc21)c1ccccc1 207528900 JGAWDRPMIUVAAU-UHFFFAOYSA-N 558.782 6.459 50 10 KKGE CC(=NNC(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252623726 OXXKUEBRCXHLBR-UHFFFAOYSA-N 581.379 5.837 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2I)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 254847953 FLJRGPHUNCLEDG-MMSUECENSA-N 621.456 5.493 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@H]2Br 256019935 MWMJYPKSKUJTAY-CAVYSCNFSA-N 639.270 6.606 50 10 KKGE Cc1ccc2cccc(OC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)c2n1 256019954 NYYFKOJSYKQBLM-UIAACRFSSA-N 546.097 6.134 50 10 KKGE COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 256046232 DQOIJURLXNBBJU-UHFFFAOYSA-N 536.213 5.490 50 10 KKGE ClC(Cl)O[C@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 396508151 CQHLMUYIWPPHNS-GYLADCCPSA-N 623.573 7.462 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C(C)=O)=C[C@H](Br)[C@@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 605696681 IFHSHNSZFYAKID-IXJAAHNCSA-N 595.210 6.350 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccccc2)cc1 725331265 XJHPFJYSMMSOCC-VKFKYRIUSA-N 940.168 10.093 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 725432853 CTQNSXFQAYFOBI-JRJABSJZSA-N 681.790 6.355 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cccc3ccccc23)c1 1083916299 HNEOFIIVKCQYMU-UHFFFAOYSA-N 509.440 6.332 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 1083945529 UVTRTDBFHYZKQB-XMMPIXPASA-N 575.887 6.053 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 1083953706 RBDYEYJLOPQANU-XMMPIXPASA-N 556.413 5.299 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084030596 IVPAOQQCFVCRJT-RGVLZGJSSA-N 752.188 6.984 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084277166 GVMVWLLLIUNLMF-UHFFFAOYSA-N 762.226 5.977 50 10 KKGE COC(=O)c1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc32)c1 1084337886 XPZSUIDGGNAFBB-XDHOZWIPSA-N 504.373 6.329 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1307273377 DIMYHZDULFSWLS-ZBIKETNBSA-N 641.142 11.150 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748471 KVTYDYLYHUNIEF-OAQYLSRUSA-N 549.646 6.697 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748978 IIIKRQFLRABBMC-UHFFFAOYSA-N 610.280 6.107 50 10 KKGE CCOC(=O)c1c(NC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)sc2c1CC[C@@H](C)C2 1772752773 WALNXOFNBJCPJQ-QGZVFWFLSA-N 556.084 6.446 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc(Br)c1OCc1ccccc1 1772756211 ONMSLGVNHMIGPD-GOSISDBHSA-N 545.861 6.225 50 10 KKGE CC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@H]32)N(C)C1 1848435236 NMNGXZIYPJHWNQ-AZDWTJHPSA-N 793.786 6.704 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1 1865690485 SOUKDBVNYQJLQA-NDEPHWFRSA-N 504.634 6.612 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)c1 1865693061 HKIZREQEOXNSOV-AREMUKBSSA-N 527.024 6.267 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694146 QKZDZIYVXCGGQL-VWLOTQADSA-N 531.443 6.912 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695614 QSOYLOZBIIEEQV-AREMUKBSSA-N 549.433 6.737 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 1865695752 SHKMOXMSNXOHMO-VWLOTQADSA-N 564.995 7.018 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698260 OTGSVSBLXWTUFX-JOCHJYFZSA-N 575.866 6.063 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701946 JDYXOPPGABBKAE-AREMUKBSSA-N 506.512 6.197 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OC(=O)c1ccccc1 1865705596 ZURPQWIQOZBZJQ-GDLZYMKVSA-N 572.596 6.183 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865708979 KNSQUXYTUHVQKP-SSEXGKCCSA-N 557.695 5.111 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2 1865714519 MHMHVKWTHYLCIZ-OAQYLSRUSA-N 515.397 5.132 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714825 RBCDDYOXOVKQQR-VWLOTQADSA-N 541.449 6.205 50 10 KKGE CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1866130134 CAVKLVPENROJQA-FYJGNVAPSA-N 504.608 6.278 50 10 KKGE CCC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866796597 HUBIIDBWKFTYBJ-FQEVSTJZSA-N 502.434 5.299 50 10 KKGE CCCC[C@H](NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867029202 KHLQSGONAHXWRT-XZOQPEGZSA-N 549.722 5.627 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Br)cc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414776 PZWIAKWUCSRSBA-DEOSSOPVSA-N 578.923 7.454 50 10 KKGE COc1cccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c1 1872744576 YVVDYFLASJXVMU-RWEWTDSWSA-N 507.571 6.186 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4COc5ccc6ccccc6c5C4)cc3)n2)cc1 1872749241 IBHFXTYYJWUQAB-BXVZCJGGSA-N 501.611 7.578 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)cc1C 1872756039 BBMSTPYDQUJPDG-UZYVYHOESA-N 503.849 7.495 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccc(Cl)cc1 1872782292 BLYWBGVBHOUHSH-RGVLZGJSSA-N 503.967 7.023 50 10 KKGE O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccs1 1873498157 RRAPSMPLELDEBN-OCSSWDANSA-N 513.022 6.597 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)ccc1F 1873921040 QYPNNIDRZFCBJY-DWCUFGPVSA-N 509.562 5.958 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1cc(Br)sc1Br 1912971427 PMYCAUVEWRVZGE-SSDOTTSWSA-N 510.896 6.285 50 10 KKGE Fc1cccc(Cl)c1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923073132 VCJMQXQALNZUSB-ZCFIWIBFSA-N 511.863 7.398 50 10 KKGE CC(C)(C)OC1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568691 KFCJFMFEXCFCML-IEIXJENWSA-N 539.953 7.065 50 10 KKGE CCC(=O)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1938596740 SAVGODFDERBFJF-ZETCQYMHSA-N 524.816 5.101 50 10 KKGE COc1cc([C@@]2(O)CSC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N2c2ccccc2)cc(OC)c1OC 2053622670 JSDRROIIUKUVTG-MHZLTWQESA-N 538.025 5.138 50 10 KKGE Cc1c(Cl)cccc1NC(SCC(=O)N(C)C1CCCCC1)=C(C#N)c1nc2ccccc2s1 2053623281 PGDSKEJMCFGYNZ-UHFFFAOYSA-N 511.116 7.087 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2ccc(Br)cc2Br)c1 2083336157 XPHYRPYOWNQLSS-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE CC1(C)C[C@H]1C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495888 SRQYBQQHLQQTCQ-HZGVNTEJSA-N 524.316 7.453 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCOC[C@@H]32)c1Br 2141473039 KFOPZFFQRAUYCS-CIZTUISTSA-N 582.750 6.455 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)ccc2Cl)c1Br 2201081290 FSSLGLHERXJNIH-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2203425935 LZIQIOVSXDHJMF-GFCCVEGCSA-N 506.392 6.697 50 10 KKGE Brc1cccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206400033 OPRRCMOMDCMSRQ-VIFPVBQESA-N 655.642 8.178 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cccc(Br)c1Br 2206577950 GJARCISSWOPMKL-CYBMUJFWSA-N 527.876 6.775 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCC[C@H]2CC3)c1Br 2251092622 QMGRPTIVMOSXQI-HQLZOWSPSA-N 507.911 7.052 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)c(Br)s1 2272853718 LMKZSQRHZOFUAI-VIFPVBQESA-N 560.277 7.405 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)cc(C(C)C)c2)c1Br 2280669274 UIIFPNTUORUUQU-ZDUSSCGKSA-N 545.960 7.952 50 10 KKGE CCc1nn(C)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2295333449 KIUDLIPJENAXQT-LLVKDONJSA-N 529.896 5.949 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 2296024803 GBFBQYYOVYFHAY-UHFFFAOYSA-N 534.475 6.351 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC=C(C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2297624299 IKZVZBDVPQLZSR-UHFFFAOYSA-N 525.340 5.572 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2301044595 SFLRHGODMVSMAY-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(C)cc1 2313570742 FHJPUDRCBADBRM-UHFFFAOYSA-N 560.275 7.588 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(I)sn1 2313750265 SVPMMTQYNLVHSL-VIFPVBQESA-N 545.824 6.440 50 10 KKGE Brc1ccc(C[C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2314489489 HSFYBMLCQKVBLP-FQEVSTJZSA-N 525.078 7.469 50 10 KKGE Fc1cccc(I)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314498207 ROQKPOUFWYBJTF-HXUWFJFHSA-N 531.590 7.100 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccccc3Cl)o2)sc2c1CC[C@@H](CC)C2 2314571497 FZCGZRXTRFZTIG-MRXNPFEDSA-N 509.027 6.899 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591704 BMZJXGCBGDJLJD-RUZDIDTESA-N 552.483 6.766 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592905 DIXBZWORLDSRDY-JOCHJYFZSA-N 510.457 5.301 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)C(C)=C(C#N)C1=O 2314618566 PRNYRLDOMCBSOD-UHFFFAOYSA-N 531.012 5.220 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(C(C)C)cc1Br 2314770460 AGUGFIBRAHEZCZ-UHFFFAOYSA-N 537.410 5.682 50 10 KKGE Cc1ccc(NC(=O)c2sc3ncn(CC(=O)C(C#N)=C4Nc5ccccc5S4)c(=O)c3c2C)c(C)c1 2318370968 KAPNYUFWFBDBTA-UHFFFAOYSA-N 527.631 5.158 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663577 BLKAJAVLNMDHIF-UHFFFAOYSA-N 558.230 5.428 50 10 KKGE CC(C)[C@H](C(O)=C(C#N)c1nc(-c2cccc(Br)c2)cs1)N1C(=O)c2ccccc2C1=O 2331279331 KKPFUZTVMNQPJO-HXUWFJFHSA-N 508.397 5.686 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)n1 2331350710 NNDCWNPOYGIPIC-ICSRJNTNSA-N 501.652 6.519 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)cc(Br)c1 2365217347 DGDISNFEKYNFAK-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Clc1ccccc1[C@H](CBr)OCc1cc(I)ccc1Br 2367612429 XHLZYZZJXPPTCG-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c1 3202418 UKHBFDQMUWHURZ-UHFFFAOYSA-N 576.678 6.730 50 10 KKGE C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1C[C@H](Br)C2=O 5822731 ADSWXPLGWUHJRG-WFFRUVHISA-N 507.060 5.716 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSc1nc(C(F)F)cc(C)c1C#N 8456043 AJAQKWMFKZGIDZ-DNQXCXABSA-N 562.686 7.052 50 10 KKGE O=C(N/N=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1Cl 20616406 JVQIAVJHDSZOSE-PUDRNCJTSA-N 505.021 7.125 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 32520637 RSJKNGVVCAHWSV-WKULSOCRSA-N 501.011 6.191 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)c1 38660896 INGOXFSHDBLUJS-WJOKGBTCSA-N 518.569 6.298 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1Br 38678752 ABXPSVZZACCVHC-FATZIPQQSA-N 509.331 5.179 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686462 PJUDCLCYCVLXCO-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 38686484 VUYNJNJFUUMGSF-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)cc1 38687542 UUZIWWLJWRSMMZ-MHZLTWQESA-N 508.530 5.409 50 10 KKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 40816288 QZEGSXTUALNDFA-ZTKZIYFRSA-N 515.393 5.966 50 10 KKGE COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 59305439 SFSRLBJWMYAFEA-UVHMKAGCSA-N 508.372 5.462 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1OC 97914587 INWTZXSQUUORPN-AREMUKBSSA-N 521.485 5.895 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)cc1 100182102 GQNQXYWOONNDPF-QGZVFWFLSA-N 550.519 5.102 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 100452597 UTTQHRNCFHXHIZ-MGCJZSHXSA-N 564.249 5.894 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 101338567 XBSZKAZOCKCCEK-VUTHCHCSSA-N 534.660 6.562 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367323 OOSRXHXOCYPTPI-LJDOSMTPSA-N 565.025 6.765 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OCC 101374124 FQQRVSIWHMGBRJ-WJOKGBTCSA-N 556.659 6.880 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OC 101375616 FJZHBOCZDOBAHH-WJOKGBTCSA-N 561.078 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379096 IQTFYMKEEQMWCJ-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)c1 101383848 NTFYKGUTOCONLX-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101385439 SIUCDFMXQZZQRA-PMERELPUSA-N 536.559 6.159 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)COc3ccc(Cl)cc3Cl)CCC4)c2n1 101612373 ZOMQCWZWHGTILW-UZWMFBFFSA-N 552.414 6.206 50 10 KKGE COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1C#N 103613697 FTRYTWBQLGPSJT-KNBZMSCYSA-N 592.277 5.586 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2cc(Br)ccc2o1 103796476 SFKMCIJHEQGUAC-KKMKTNMSSA-N 562.645 6.954 50 10 KKGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 103877654 RIPNFMFQLLWFCV-FMFFXOCNSA-N 547.615 6.541 50 10 KKGE N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800029 MHCHOOMMFNOMJJ-UYRXBGFRSA-N 540.522 8.413 50 10 KKGE Br[C@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCCC2 155257415 GNMDKWFGWIAFFP-STQMWFEESA-N 672.908 6.366 50 10 KKGE COC(=O)C[C@H](CC(=O)/C=C\c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C 199847169 MQGVAZIDAZIVGR-VJVQGEDVSA-N 607.821 5.728 50 10 KKGE CCN1/C(=C/C=C2/CCC/C(=C\C=C3/Sc4ccccc4N3CC)C2=C(C#N)C#N)Sc2ccccc21 199909880 AUNNOOXNARRSIW-VGQJRLJNSA-N 520.727 8.314 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214297585 IDJZCGOXTWGJBB-BRPDVVIDSA-N 566.702 6.292 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214324795 MUDQJGSGPUJNDC-JQXKRNIHSA-N 552.700 6.203 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214366061 QYUGSRWFCRPMBW-LQULIRLISA-N 532.644 6.096 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 214378822 CXFWKOLBXLIPPU-FSGOGVSDSA-N 558.707 7.142 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)sc2Br)cc1Cl 235018506 TUAKAYFLACGWDY-LLVKDONJSA-N 509.872 7.073 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 252615611 JTLLNUKUMBGLRS-UHFFFAOYSA-N 577.062 6.106 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nc3ccccc3c2=O)cc1 254848725 KTQDHPGOLYZEEE-UHFFFAOYSA-N 550.640 5.216 50 10 KKGE Cc1cnc2ccc3c(nc(Nc4nc5c(OCc6ccccc6)nc(N)nc5n4[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O4)n3C)c2n1 256430764 MCJCKSMTQLIMSJ-JBOQNHBVSA-N 797.126 8.569 50 10 KKGE CCCN(CCC)c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 263627403 IMEBBLIZOLTJOW-ICTGNBKHSA-N 511.670 5.300 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]12C 575626720 BCNXKLAHNOFABR-QCEOPIKOSA-N 621.035 11.254 50 10 KKGE CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CCC(C)=O 616583182 NVXCQIGISGANFA-DWTUOHSQSA-N 524.752 5.250 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588273 LAVSLNMQPNHPSL-SUUDYLNVSA-N 697.001 9.876 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616589963 QCJSYZSJARHGIB-XKENXYKYSA-N 620.903 8.306 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590470 SAHJWPXTHJECLJ-AQZMQOMZSA-N 755.034 6.751 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1083946844 UWSDCEJWZXSZMV-UHFFFAOYSA-N 535.069 5.089 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 1083973803 IFDQSQHDWMNHEU-GDLZYMKVSA-N 557.488 6.874 50 10 KKGE Cc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1C 1084147670 AXBWZOFBVWTEGZ-UHFFFAOYSA-N 537.991 5.630 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl 1084155539 MRZCXYNNNJIVPJ-UHFFFAOYSA-N 620.931 7.025 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c(C)n1-c1ccccc1Cl 1084162210 IEOXKDALDQEOQF-UHFFFAOYSA-N 535.069 5.478 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084219391 XQDNMTLJGMNKKW-UHFFFAOYSA-N 643.925 8.120 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=Cc1cc(Br)cc(Br)c1O 1084328762 RXRZLHXNPCECEG-UHFFFAOYSA-N 510.226 5.494 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)Cc2ccccc2)cc1 1084414178 FKBMOASWKOWRMV-UHFFFAOYSA-N 585.730 5.011 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1ccccc1OCc1ccccc1 1084446425 ZKCSXVJGCRDSSG-UHFFFAOYSA-N 506.609 5.806 50 10 KKGE COc1ccc(/C=C\C(=NNC(=O)CCCCC(=O)NN=C(/C=C\c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084606682 QHOMLDRNAWIXIB-BWFXKCBPSA-N 674.798 7.049 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536926 AFNDTSIACJAGSO-GYCPEVINSA-N 551.768 9.808 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772747375 BEBUGBULUFWURU-UHFFFAOYSA-N 534.656 7.228 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 1772755027 HLGAKCFWFTZQML-UHFFFAOYSA-N 607.382 7.701 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1cccc(Br)c1 1865684644 UTZHVFJQVRMEBX-JOCHJYFZSA-N 517.814 6.232 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865688306 OYYAANAXFYLNED-MUUNZHRXSA-N 575.496 7.246 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688347 PWPZSZJLMSLKCY-XMMPIXPASA-N 545.437 6.063 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689283 ONBAUFPMHFUGHQ-QHCPKHFHSA-N 559.420 5.551 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 1865695580 QAYDJKGFRBRFOM-MUUNZHRXSA-N 510.569 5.493 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697398 RIXLZVIBMRAWPH-DEOSSOPVSA-N 527.452 6.205 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700261 OCTXSCXIDLEOTA-VWLOTQADSA-N 507.981 5.960 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701578 YSOAZVYABAYNPP-GOSISDBHSA-N 548.210 5.082 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865703290 SMMQOZAFMQUOPW-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703905 IJJOJJGASGZARM-WJOKGBTCSA-N 526.640 6.834 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704306 SFDTWHGYRFPBII-HKBQPEDESA-N 561.085 7.488 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OC 1865707003 LIQGBXIIWLAOAW-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711973 MNDGPGWWMURPKX-QHCPKHFHSA-N 519.388 6.081 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)cc2)sc(C(=O)OCCOc2ccccc2)c1C 1866127128 JXODZSSELFWOFI-LTGZKZEYSA-N 518.591 5.323 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866753032 SLNQTSVVXYVOBM-WUFINQPMSA-N 547.652 5.820 50 10 KKGE Cc1cc([C@@H](CC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866768170 UMYCZUGOLHHTOT-AHKZPQOWSA-N 519.642 5.909 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCCC(=O)c2cccs2)cc1 1866791347 BIUKUCZWKIAKCO-JOCHJYFZSA-N 523.705 5.731 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 1868231904 WDYVWNKFMMOHJX-SSEXGKCCSA-N 522.722 8.082 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1868544975 QLNYBXOQWTVOKS-UHFFFAOYSA-N 577.758 7.043 50 10 KKGE COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1872726815 NFXAJWRSTRRRLN-XNTDXEJSSA-N 501.822 7.908 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c([N+](=O)[O-])cc1OC 1872753738 KSRUBRZNUZXPBE-QQTULTPQSA-N 501.520 6.478 50 10 KKGE CC[C@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872758661 KHADJFNGYTVAQY-MRHHGZJWSA-N 507.999 5.976 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCc4ccccc4)c(OC)c3)n2)cc1Cl 1872794782 WPSHKJCEQPQWOW-HYARGMPZSA-N 503.023 7.166 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2c(Br)cnn2C)c1Br 1922905662 BIOPFZMXOUYHGA-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC2CCCCC2)c1Br 1924584229 VHZQASKEMLKDAL-QMMMGPOBSA-N 509.927 7.442 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Cl)c1cc(Br)sc1Br 1925568910 NQTMIEYROBXTPS-YFKPBYRVSA-N 520.320 7.732 50 10 KKGE Cc1nn(CCC#N)c2c1[P@](=Nc1ccc([N+](=O)[O-])c(Br)c1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053612424 HDMSDQGTDSKRGN-QLKFWGTOSA-N 654.509 7.615 50 10 KKGE C[C@H]1Cc2cc([C@H](Cl)c3scc(Br)c3Br)cc(Br)c2O1 2146624201 YSENLSAILJKZFT-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE FCCOc1cccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 2189517844 LUPCJINJQATCJU-NSHDSACASA-N 507.444 6.712 50 10 KKGE FC1(F)[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206399209 DMKHIWKFQPEMAZ-GHMZBOCLSA-N 602.731 7.608 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399520 ISXXNYIJTDVKSZ-LLVKDONJSA-N 659.605 8.123 50 10 KKGE CC1(C)CCC[C@]1(CBr)NC(=O)c1ccc(Br)cc1I 2207265689 UVMTVUCEEVOXGV-OAHLLOKOSA-N 515.027 5.127 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Br)c(C)c2Br)cc1Br 2213747125 SXKZPROVPUZKTG-SECBINFHSA-N 523.935 7.198 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)s1 2224788450 JXNYCPOGFOSHKC-SNVBAGLBSA-N 509.510 7.009 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)c1I 2232515688 BJZVQCBZPOMTCN-SNVBAGLBSA-N 528.801 7.481 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2263484159 SNVWADVWPSRJKF-SFHVURJKSA-N 534.086 5.193 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2282897608 VKQOLRQXVPEHMW-NSHDSACASA-N 573.252 7.637 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293198240 MJCLMQTWDGGGEI-QHCPKHFHSA-N 526.420 5.875 50 10 KKGE COc1cccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1OCc1ccccc1Cl 2295187815 UXOYIIKYZPUZAO-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 2297490838 FBABKUZGDOFQCZ-UHFFFAOYSA-N 513.978 7.584 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1Cl 2313521260 ADGIORMPMSSQRU-UHFFFAOYSA-N 586.857 7.085 50 10 KKGE CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313570811 GSEZRKSBHYNGLL-UHFFFAOYSA-N 613.020 6.147 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 2313571207 PUFPFCPGYRAOAS-UHFFFAOYSA-N 662.138 8.428 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc2ccccc2c1 2313571254 QVZJMBSDJYGGLI-UHFFFAOYSA-N 592.320 8.762 50 10 KKGE Cc1nn(C)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314442466 BUZOXMZAILWSDL-GOSISDBHSA-N 529.070 6.317 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591807 FLIJXCCUVDGFRO-DEOSSOPVSA-N 538.456 6.375 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314610695 LFLDIAFOVMODCK-NRFANRHFSA-N 611.529 7.816 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2314611047 PEEIQFSLLXEYFL-HSZRJFAPSA-N 542.639 6.509 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314611480 VCWKUIQLGVMAIN-UHFFFAOYSA-N 536.676 6.665 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314617464 YVEZFQGMLDDDPU-UHFFFAOYSA-N 600.675 6.404 50 10 KKGE CCOc1cc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617749 AALZQOGQFDZPJF-NRFANRHFSA-N 527.020 6.671 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C)cc3)ccc21 2314634483 YSWZKWKOOWAYRE-AREMUKBSSA-N 517.379 5.603 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634863 XMEBXTVTQYTKGD-GDLZYMKVSA-N 531.008 6.364 50 10 KKGE COc1ccc2sc(C(=O)Oc3ccc(C=C(C#N)c4ccc(Cl)cc4)cc3OC)c(Cl)c2c1 2314792557 VFYYBIFJEGVODX-UHFFFAOYSA-N 510.398 7.509 50 10 KKGE Clc1ccc(Oc2cc(Br)cc(I)c2)c(CBr)c1 2316756880 IIBQKCIYMJCOEY-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE CCN(C[C@@](C)(CI)OCc1cc(I)ccc1Cl)C(=O)OC(C)(C)C 2327241018 WNDYLZNSIXYDIK-GOSISDBHSA-N 593.671 5.912 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331491689 DCPZNHYQYKVSSW-UHFFFAOYSA-N 519.848 7.096 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC[C@@H]2C[C@@H]2C1 2333303640 NIWXDYXGLFDDTN-SREUIJSDSA-N 536.327 7.453 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2336057740 UUQXLGDXCWXBLS-SFHVURJKSA-N 515.072 8.014 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2364229276 XLWOTHVCRABTGZ-QMMMGPOBSA-N 552.286 5.854 50 10 KKGE O=C(Nc1ccc(CBr)c(F)c1)c1ccc(Br)cc1I 2367666682 LNOSOGHLMUQTJU-UHFFFAOYSA-N 512.942 5.340 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1/C=C1/CCCC2=C1OC(N)=C(C#N)[C@H]2c1c(C)nn(-c2ccccc2)c1C 33249026 XSDNJIUICARRNJ-CAQYPNHTSA-N 528.660 6.621 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(C#N)\C(O)=N\c1cc2c(cc1[N+](=O)[O-])OCCO2 33749420 QPSMFOHIXAZGJE-QPEQYQDCSA-N 500.298 5.362 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)cc(C)c1Cl 38649570 XVVWQAHJOROIPD-HHHXNRCGSA-N 502.998 6.283 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38650719 CGHSRUCRGQWSIB-AFJIDDCJSA-N 512.606 6.190 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Cl)cc1 38651304 YGLPQYKHJRHWKH-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 38651708 HQLDRHKHVSODTH-QKFKETGDSA-N 509.331 5.179 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc21 38660730 YVSOHZMHCPEWOL-JOCHJYFZSA-N 511.759 5.548 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)c1 38684775 URDHICOJCHRCKO-NDEPHWFRSA-N 518.997 6.112 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38684937 WOXOZYCATBHBOU-AREMUKBSSA-N 504.970 5.558 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38685167 CTSYJHTYRSRADQ-MYUZEXMDSA-N 502.542 5.596 50 10 KKGE Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)cc2Br)cc1 58889267 VJYOFHQFPKSXRH-FJLJVCJUSA-N 515.835 5.954 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 58894755 HSOUXJVNGWFYMW-IDEIYSCTSA-N 505.796 5.725 50 10 KKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 59474952 SMZCMMWCVIRLCK-WOJGMQOQSA-N 504.368 5.641 50 10 KKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 100153777 VEVIPQHJNUBXNF-UHFFFAOYSA-N 505.453 5.762 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 100182152 GHTYFRBFKMTFKV-QGZVFWFLSA-N 558.498 5.130 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 100226198 XUYMNKUVRMJZCA-GMOKZYNCSA-N 583.426 5.104 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869682 RRVGXHICVSRVPV-IPPBACCNSA-N 547.391 5.158 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101307147 PNZYHPCDEGINNF-NRFANRHFSA-N 574.458 5.158 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101340932 GKOWNIBAUJUWMO-OEAKJJBVSA-N 530.983 6.249 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc21 101371977 ZFWWUWWLRXLHEJ-FQEVSTJZSA-N 546.448 5.373 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101373834 WLABVWYHMKFLOI-HHHXNRCGSA-N 563.448 6.464 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 101378445 GDZUCNVDQMEFQA-JGCGQSQUSA-N 544.651 7.309 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384972 YAITVMUNIRWODH-YTTGMZPUSA-N 601.486 7.337 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388204 RXXHLHQMZSBLAE-MGBGTMOVSA-N 613.066 6.529 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1ccc(Br)cc1 101391403 DZXTVNKECNMKEK-NRFANRHFSA-N 572.267 7.408 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OC)c(Cl)c3)ccc21 101395041 MLPLWCPEHCTLPA-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCCCCCCCCCCCCCCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] 101479364 HLAYPHOAJUTABG-UHFFFAOYSA-N 597.588 8.107 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccccc1F 101727183 HKFSOCNEAQMYSK-AMVVHIIESA-N 600.535 6.932 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)c(OC)c1 101799097 GZVIJLQXJYXXKW-LTGZKZEYSA-N 571.512 6.343 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 102932940 HCGCJZPXVFUZEB-WQRHYEAKSA-N 556.800 6.534 50 10 KKGE CCC[C@H](C)c1nc(N2CCCN(C(=O)[C@H](Cl)c3ccccc3)CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 102960097 MHLKGEAWDUTUAR-RXFWQSSRSA-N 549.094 6.185 50 10 KKGE CC(C)(C)c1cc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C(C)(C)C)c1O 103728821 BSNWOGKNDBZSPH-GESPGMLMSA-N 570.797 8.497 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc2ccccc12 103887958 UMSZFUOTKLXJIQ-UCQKPKSFSA-N 527.418 7.044 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 150486322 NUPBEGCPVNQLFS-YTTGMZPUSA-N 631.512 7.807 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214379179 FRAUUUPYRBTFEY-GXBUFBABSA-N 608.673 7.358 50 10 KKGE Brc1cc([C@H](Br)c2cc3c(cc2Br)OCCO3)c(Br)s1 232484242 UFWWSGZTAWEZSD-GFCCVEGCSA-N 547.888 6.291 50 10 KKGE Clc1ccccc1C[C@@H](Br)c1cc(Br)ccc1I 236043241 ODGNRXDVQPWVGX-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE CC[C@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 253530194 MYLPOKATQGVMSF-PBJPAJIUSA-N 644.617 10.347 50 10 KKGE biogenic CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1ccccc1F 254594875 XBIMAXJZGDBHIL-UHFFFAOYSA-N 523.564 5.422 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 254744182 SPMJTQVPCCVKNT-UHFFFAOYSA-N 599.713 5.534 50 10 KKGE CCOc1cc(C=NNC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3cccc(C)c32)ccc1O 254814258 DVQDGUZAZFIVAF-UHFFFAOYSA-N 517.629 6.928 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)ccc1OCCOc1ccc(F)cc1 254815044 ZZKNBBPEHUVFED-UHFFFAOYSA-N 645.631 6.266 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1cc(Br)ccc1OC(=O)c1ccco1 254869109 ZFTYLLAUZVZORF-UHFFFAOYSA-N 679.941 6.078 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 255994942 PNTVVZJLRPNFKC-CICPYNBOSA-N 550.853 6.810 50 10 KKGE CC1(C)[C@]2(C(=O)NCCCCCCNC(=O)[C@]34CC[C@](C)(C(=O)[C@@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@@H]2Br 256020005 RBPJAEZCCFVBGI-KSADMFMESA-N 630.462 5.097 50 10 KKGE COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 261493053 ZJWKMEWPAABOOP-UHFFFAOYSA-N 559.416 6.020 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3scc(Br)c3Br)c1)OCCC2 707812271 AFZWNMMIFDELIK-LLVKDONJSA-N 545.916 6.845 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cc(Br)ccc1O 725410679 ADTDNBNNABDZCV-UHFFFAOYSA-N 557.036 5.362 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 725424063 UMQXGBJOIPVARD-MHZLTWQESA-N 561.476 6.544 50 10 KKGE CCCCC[C@@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@@H]1CCCCO1 725428765 OABDXHJQCAVVLW-OWURQZAISA-N 709.075 8.802 50 10 KKGE Cc1cc(C)c(C(CSc2nc3ccccc3s2)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 1084148745 AXVIEEJJDHZDHD-UHFFFAOYSA-N 535.607 5.964 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 1084171271 ZDWSLBWXKYADJB-XMMPIXPASA-N 545.861 6.044 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084175185 FKNNNOAFJNIWIU-UHFFFAOYSA-N 700.533 7.707 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)c2ccc(C)cc2)cc1Br 1084182362 SZPWYDFEBIOCAY-UHFFFAOYSA-N 665.566 5.129 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)c(OC)c1 1084192420 BBGDCYFIDXVUMH-UHFFFAOYSA-N 578.090 5.825 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1084236455 PNPCHSAREDDSLK-UHFFFAOYSA-N 628.019 5.079 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1C#N 1084308633 ZDRKIDFYGQQWSP-UHFFFAOYSA-N 565.367 5.651 50 10 KKGE CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084421123 DBSMVXBZISOLFG-IZZDOVSWSA-N 566.020 6.305 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1Br 1084630923 DSUTVWGXIBLVCI-UHFFFAOYSA-N 637.600 6.136 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)c1 1614653248 XDQASMFEGHELBR-FUVRYODWSA-N 509.675 6.422 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2Cl)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772745532 AVVUXVHFHUEURD-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749098 HJNYXPQGUWHRGO-UHFFFAOYSA-N 542.463 6.725 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 1772755098 MYFHVEOTGIEXDI-UHFFFAOYSA-N 592.957 7.600 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)CCCOc1ccc(C(C)(C)C)cc1Br 1772755412 GLRJAHNBGOIMLU-UHFFFAOYSA-N 511.460 6.608 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684033 LNNMJCBIHIVTDB-QHCPKHFHSA-N 519.388 5.838 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865694939 GBIJJFXWQQOJDM-SANMLTNESA-N 508.578 5.210 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865695986 JLCJCBLEMPNCSI-GDLZYMKVSA-N 552.650 6.923 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865703366 UUXLWDYOCPDWOY-AREMUKBSSA-N 577.468 6.598 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1 1865704779 DMFCCGAQFXQXIA-SANMLTNESA-N 577.424 5.942 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706495 XXONDHOXXIZEED-MHZLTWQESA-N 506.606 5.608 50 10 KKGE Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)NNC(=O)CCc1ccccc1Br 1865759376 XFWYHDZKPRWKDZ-UHFFFAOYSA-N 507.215 5.520 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2c2ccc(OC)cc2)n1 1868253756 SETAXQFWPXLSCX-PMERELPUSA-N 523.662 6.143 50 10 KKGE CC1(C)COC[C@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868457057 YCPKANUVRNCKQL-VWLOTQADSA-N 525.653 6.826 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4cccc(F)c4)CC3)n2)cc1 1868527442 AIEQXEAETCPRMW-UHFFFAOYSA-N 568.722 6.753 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872784356 MLGGGJGWFMOOQF-YBFXNURJSA-N 508.386 7.668 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCCCc1ccccc1 1872795187 RVUKUJKXVFJWPQ-KGENOOAVSA-N 521.469 8.201 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 1873496339 MTKSHGWPLXHWPY-HNSNBQBZSA-N 528.008 5.378 50 10 KKGE O=S(=O)(c1cc(Br)ccc1Br)N(CCCBr)Cc1ccccc1 1914648322 UCHIJNVFWOKPPG-UHFFFAOYSA-N 526.088 5.188 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1sc(Br)cc1Br 1922944008 XHEZIODHPODFTL-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Brc1ccc(C[C@@H](Br)c2sc(Br)cc2Br)cc1 1922944019 XJDFHEYTNYXUBA-SECBINFHSA-N 503.879 6.714 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@@H]2CCCC[C@@H]21 1923060343 BIXBGZVYNUOYQT-UXCLJVHYSA-N 505.541 7.969 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2c(s1)CCSC2 1923072916 SPMYUKXTAROYNT-VIFPVBQESA-N 523.562 7.262 50 10 KKGE Cl[C@H](c1ccc2c(c1)OCCO2)c1c(Br)sc(Br)c1Br 1924599423 HJNNRABLTSEFNF-LLVKDONJSA-N 503.437 6.135 50 10 KKGE FC(F)Oc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924602172 TTYSBXIFEQDPFV-QMMMGPOBSA-N 555.858 7.121 50 10 KKGE Cc1sc([C@H](Br)c2cccc(Br)c2Br)cc1Br 1943904507 YLFQBNQCCKMAMV-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 2033817443 IHZCTNKBOMHWCE-FEMONOMJSA-N 617.797 7.545 50 10 KKGE COc1sc([C@H](Br)c2ccc(F)cc2I)cc1Br 2034629302 MHWNQMKPPCOUJT-LLVKDONJSA-N 505.972 5.747 50 10 KKGE N#CC(=Cc1cccc(NC(=O)c2ccccc2Cl)c1)S(=O)(=O)c1ccc(Br)cc1 2040837680 CVLPICBKNCYYSS-UHFFFAOYSA-N 501.789 5.693 50 10 KKGE Cl[C@@H](c1cc(I)sn1)c1c(Br)c(Br)cc(Br)c1Br 2085493502 CJUGDPHQTNYLFY-JTQLQIEISA-N 651.181 7.126 50 10 KKGE C[C@@H]1CO[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085493596 DPQMBARWNLMXMP-JUXRIQNQSA-N 570.739 6.598 50 10 KKGE Clc1sccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493933 IZPLWCOZJMPXJC-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE BrC[C@@H](Cc1cc(Br)ccc1Br)c1ccccc1Br 2118525666 WVWFNEZMJSMRAW-LLVKDONJSA-N 511.877 6.695 50 10 KKGE C[C@H](Br)C[C@@H]1CCCCCN1c1ncc(I)cc1Br 2133373439 RNIZLSGQTZKALK-JQWIXIFHSA-N 502.032 5.371 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Br)cc2Br)c1Br 2138864283 OEUIDNYRHAFBAC-AWEZNQCLSA-N 532.295 7.373 50 10 KKGE CC1(C)CC(C)([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468125 GTNBDOGCKKDBNE-LBPRGKRZSA-N 538.343 7.843 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)c(F)c1 2142289152 XKSUBRIREFYIJK-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@@H](Cl)c1ccccc1 2151788522 JAWGPAQFBQPGCH-LBPRGKRZSA-N 529.397 5.735 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c(F)c1Cl 2201617177 DAKKWVJWZLUACB-NSHDSACASA-N 509.797 7.281 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 2202904464 RYYIBCMTMXLYRW-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(Br)c1Cl 2202999874 HIXYHXGEZPKBHL-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2(CC3CCC3)CC2)c1Br 2206400015 OIKGQKAHGQAFAX-CQSZACIVSA-N 594.805 8.143 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1c(Br)sc(Br)c1Br 2255964217 OOFHMTJGBVHCGQ-QMMMGPOBSA-N 633.738 7.264 50 10 KKGE COc1ccc([C@H](Br)c2csc(Br)c2Br)cc1I 2257355358 HMZHBVVRPXINHC-JTQLQIEISA-N 566.878 6.371 50 10 KKGE COc1ccc([C@@H](Br)c2ccccc2I)cc1I 2257367209 KOFPQSTZVQINFU-CQSZACIVSA-N 528.953 5.389 50 10 KKGE Cn1nc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Br)c1Cl 2277952960 LWJXADSIJRDUPT-SECBINFHSA-N 536.287 6.040 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295346317 YFMUWDZXZSPSFA-CQSZACIVSA-N 546.322 7.615 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2296544510 RVAMVGFNVNDXDY-UHFFFAOYSA-N 506.606 5.359 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2297321255 XFNLQRNYRBQCKS-UHFFFAOYSA-N 541.683 6.711 50 10 KKGE O=CC(=CN=c1cccc(NC=C(C=O)c2nc3cc(Cl)ccc3o2)[nH]1)c1nc2cc(Cl)ccc2o1 2297624351 YJDCVQYIBRCQPP-UHFFFAOYSA-N 520.332 5.397 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1ccc(I)cc1 2299494911 JMLNFCOKVOSYGM-HXUWFJFHSA-N 558.051 7.117 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1ccccc1OCc1ccccc1 2299536327 YQEXAQHONSOLNU-HHHXNRCGSA-N 538.279 8.091 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccccc1 2313518173 PNMDXQLMSMYYAS-UHFFFAOYSA-N 538.385 6.041 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518681 OJYFBGWDDNYDGQ-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568559 WQDCYGWPIOOSNT-UHFFFAOYSA-N 571.302 6.591 50 10 KKGE CCN(CC)c1ccc([C@@H]2N(C(CCl)=NS(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 2313620836 VTXRFBOAMCQPRE-SSEXGKCCSA-N 617.237 5.571 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(Cl)c1 2313630653 CXEKWMDIECJZTM-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314452891 RHZVOGCURJOHSH-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC 2314488583 LHTKQCUTBBYLFG-UHFFFAOYSA-N 537.435 6.931 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314616736 IQNMVNOOFGHSQJ-UHFFFAOYSA-N 527.422 5.837 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634831 RTVXIILUMXXMOL-HKBQPEDESA-N 559.062 7.145 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 2314643345 UNFDGAZLYJVNBN-YTTGMZPUSA-N 548.570 6.250 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 2314736934 CCXROWNVMSKWKO-UHFFFAOYSA-N 534.955 6.433 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2sccc2I)c1Br 2315440360 RTMUZONMSQDZJQ-VIFPVBQESA-N 544.836 6.998 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)c(Br)nn2C)c1Br 2316709486 MCMIZNILKINFQI-LURJTMIESA-N 542.316 6.168 50 10 KKGE Cc1scc([C@@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2320489366 CBQQHHVDQSDODS-LBPRGKRZSA-N 521.869 6.967 50 10 KKGE CC(C)c1csc(C(C#N)=C(O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)n1 2331327747 OYTNRNIEEFRKCW-SSDOTTSWSA-N 505.210 6.357 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)N(CC)CC)c(OCC)c3)n2)cc1 2331430235 WSPCMNUQRDSVHC-UHFFFAOYSA-N 517.695 6.863 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCC[C@@H]3C[C@@H]32)c1Br 2333303575 KLHDTQIGVBEZGB-GYAIJENASA-N 580.778 7.609 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1c(Br)c(Br)nn1C 2364062986 DYYVGGOKEVERDH-VIFPVBQESA-N 507.835 5.698 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1I 2365596149 ROURJTRNFKZPRY-GFCCVEGCSA-N 597.285 7.401 50 10 KKGE COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1COc1ccc(C(=O)OCC(C)C)cc1 1950123 ZGOLTFBNUXQLBE-WKULSOCRSA-N 539.426 5.613 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 20352817 SZZBJQZWLYDWBU-CXIVHHJDSA-N 515.610 6.042 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 38655789 YZOYVKVKWNKGNO-OAQYLSRUSA-N 506.172 6.738 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OC)c2)cc1 38659568 HPIWBAAJPXXALX-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 38700720 YMLNSPVEGPIZNY-RUZDIDTESA-N 517.006 6.862 50 10 KKGE CCOc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822581 OLXZHEVAOYLMJG-INKHBPHZSA-N 507.590 6.376 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 58891944 OBULZSVNZCXOMO-ZSYYNXLFSA-N 525.418 5.860 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2OCc2ccccc2)cc1 100154571 CQGDTDQWSPJIRF-UHFFFAOYSA-N 519.667 5.564 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 100181926 NWRZRZYVCLJIIX-UHFFFAOYSA-N 554.510 5.342 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 100234098 CCOUKTOTZMLMEC-SXLHCEKXSA-N 557.607 5.552 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 100452154 WEQCORSASGDDSF-OADPBGPJSA-N 564.249 5.894 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 100883606 RJGZHUZNWFDIFX-DXJNIWACSA-N 549.627 6.904 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101033986 XTAJBQRYSSVHBS-LICLKQGHSA-N 545.370 6.701 50 10 KKGE N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034352 YFWXCURGLIDYKA-DEDYPNTBSA-N 562.632 6.608 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244497 IQXOYWGRYYEBAS-RAMZYJDASA-N 502.039 6.528 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101293443 QBBYPAKVJXLYKD-MGBGTMOVSA-N 592.623 6.806 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(Cl)c2)C1=O 101333062 MPXZCXPRZNVHEW-LFVJCYFKSA-N 529.040 6.374 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1 101377922 SXDYHJNKSNFUJB-YTTGMZPUSA-N 554.687 7.652 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379877 GSSQBLLBEXROPM-UMSFTDKQSA-N 573.048 7.438 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382192 NVDOWSBVKIMKMR-UUWRZZSWSA-N 574.677 7.580 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@@H](C)Oc5ccc(F)cc5)ccc43)c2)cc1 101382236 OWFRILDDUYNMIH-ROTAYESASA-N 550.586 6.304 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383532 TVJVWZFFOYIBEU-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 101389497 GUHKGDCYECFKBN-PGUFJCEWSA-N 622.693 7.810 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccccc12 101398902 UFSVQUSYZZPLLD-PMERELPUSA-N 597.454 8.064 50 10 KKGE CC(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 101647191 OMMXWSOUAQBWIN-JVCXMKTPSA-N 540.845 5.672 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1Br 101680567 KQZGICLBXYWSMA-YBFXNURJSA-N 600.263 5.428 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCc1ccc(Cl)cc1 101698244 QXQKSUMNYMQCQD-UNKLTCDHSA-N 586.471 8.273 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(Br)c1 101766990 AMVFUFCENCEZMV-WCMJOSRZSA-N 594.333 7.215 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(/C(C)=N\NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2)cc1 102980508 QXQWZDHDGLKMDU-DXJNIWACSA-N 556.669 5.927 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)cc1Br 128775260 RWXCUJFHNXYAMA-CQSZACIVSA-N 532.295 7.420 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1Br 150406028 WSNIFICYLAHWBT-UHFFFAOYSA-N 643.170 6.392 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430615 DCCBDZAOOXDKRO-JGCGQSQUSA-N 685.958 8.572 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(O[Si](C)(C)C)cc4CC[C@@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C 195803559 MCKRDIGCTGOZEH-KNGAAHSMSA-N 504.936 7.807 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 214019887 OVXGWSXUDOSPMX-KQWNVCNZSA-N 525.593 7.788 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)cc(Br)c2)cc1Br 235974142 PKCYKKGNPIQGQD-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=O)Nc3cccc(Cl)c3)=C2N2CCOCC2)cc1 245267430 LRHBPBBXXRDFST-DYWYJJHHSA-N 508.066 5.757 50 10 KKGE CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1 252620022 LWBHGMLGJQHUQY-NRFANRHFSA-N 530.628 7.415 50 10 KKGE COc1ccc(OCc2cccc(Br)c2)c(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 252621437 MYOHUALKIVLRDR-UHFFFAOYSA-N 629.540 5.922 50 10 KKGE O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(I)c(O)c1 252635182 WUSNEHYNSLVYBQ-UHFFFAOYSA-N 577.625 5.921 50 10 KKGE COc1ccc(C2=C(C=NNC(=O)CSc3nc4ccccc4s3)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC 252641130 ZAEOXBGQRWWDBL-YTTGMZPUSA-N 607.757 7.452 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=C/C=C\c1ccccc1 254761515 BTNLQRFTSSODLN-XVJKKGMOSA-N 500.649 5.234 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1c(Cl)cccc1Cl 256028414 KNFDCIUTYMOIGY-UHFFFAOYSA-N 559.500 6.342 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@H]2Br 261366800 UGHMDNWDHHKOQZ-UVBJJODRSA-N 558.934 6.073 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)NN=C/C(Br)=C/c1ccccc1 263590489 MBTWZUCSAIJNOM-XWQACDLDSA-N 539.886 6.368 50 10 KKGE Cn1ncc([C@H](Br)c2csc3c(Br)cccc23)c1I 379209011 LYBOMCOPKNUZDC-NSHDSACASA-N 512.008 5.486 50 10 KKGE O=C(C(=O)N(Cc1ccc(Cl)cc1)/N=C/c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)/N=C/c1ccc(Cl)cc1 514269335 WGLZAYSCSDUTKQ-PKRYOZTKSA-N 612.344 7.726 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O[Si](C)(C)C(C)(C)C)C=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 605692240 BCNXKLAHNOFABR-YMPGPJBZSA-N 621.035 11.254 50 10 KKGE in-vitro Cc1cc(C)c(C)c([C@H](Br)c2ccc(I)c(Br)c2)c1C 721571133 CROULCJDHORJID-QGZVFWFLSA-N 508.035 6.772 50 10 KKGE Cc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)cc1F 721618060 YUGJJPABTGZMIM-CQSZACIVSA-N 501.934 6.125 50 10 KKGE Cc1ccc(CN2CCN(C(=O)[C@@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)o1 725237238 BRXAUSPMZWBUJA-HSZRJFAPSA-N 540.007 5.326 50 10 KKGE CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)C1 725237948 ASNPTVLUPHXJPW-RCZVLFRGSA-N 594.055 5.950 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 725380873 XDTOIMBJWVVYCQ-DEOSSOPVSA-N 589.870 5.742 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)c2ccccc2C)cc1 725439235 YUUXVTODXGAJMS-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)Cc2ccccc2)cc1 1084010481 AVIFUTDVXIACCR-UHFFFAOYSA-N 583.541 6.051 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084026622 JJZZWHKZWTYALX-UHFFFAOYSA-N 594.449 6.585 50 10 KKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c2C)c1 1084179147 BRGYLHLZEVSXTD-UHFFFAOYSA-N 563.123 5.706 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1C 1084207771 AXZXXSDOQDIKPG-UHFFFAOYSA-N 541.608 5.261 50 10 KKGE Cc1ccccc1C(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084245707 RJVHXNMCLPCGIT-UHFFFAOYSA-N 538.610 5.913 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccc(Cl)cc1Cl 1084263202 LDAXAVDVVRQJRJ-UHFFFAOYSA-N 555.281 5.097 50 10 KKGE N#C/C(=C/c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1 1084329487 ADZMTPXRPMEGTD-WQRHYEAKSA-N 606.201 6.020 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1 1084467342 ZKWHFJDGHYYWPE-UHFFFAOYSA-N 599.540 5.751 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1084623886 MSEJZGIBUBSBIV-SANMLTNESA-N 541.475 6.664 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 1772751513 DYNHWZIQKYPCQR-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1ccc(Cl)c(Cl)c1 1772760533 WZHZRAZSYZEMRB-UHFFFAOYSA-N 532.474 6.433 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@@H]1c1c(Cl)cccc1Cl 1865686186 RRXAGRGANHREJT-AWEZNQCLSA-N 530.131 6.179 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OC 1865691981 GTEDJGQZYSHWLD-VWLOTQADSA-N 565.512 6.279 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865696429 MIQSCISXJWIUPW-VWLOTQADSA-N 507.034 6.274 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700725 BZGOOSNOAWWDNP-VWLOTQADSA-N 551.861 7.192 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865704783 DOSFSCVLPUIWKQ-SANMLTNESA-N 561.425 5.993 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705372 UFZAHOXZPOPLDY-MUUNZHRXSA-N 534.616 5.557 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712813 ITEOZNQMRCIHGR-QFIPXVFZSA-N 544.365 5.437 50 10 KKGE Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)nn2C)cc1C 1866826947 VNRJCBXJRLTBFJ-RUZDIDTESA-N 527.625 5.396 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCCc2cccc(Cl)c2)cc1 1867124262 DNZQMLNBLURPJJ-RUZDIDTESA-N 524.111 6.293 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCc3ccc(OCC)c(OC)c3)n2)cc1 1872753412 VUUBHXZHGGBRCN-RFBIWTDZSA-N 520.695 7.992 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc(F)cc2)cs1 1872791480 KIXXXQLGXXZWCM-WPWMEQJKSA-N 518.613 8.171 50 10 KKGE O=C(c1ccc(Br)cc1C(F)(F)F)N(Cc1ccccc1)C1(CBr)CCC1 1915750670 XBHRHBHMLLZNRC-UHFFFAOYSA-N 505.172 6.428 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1nscc1Br 1923048073 FFGHASOBZUJNFN-SCSAIBSYSA-N 531.314 6.630 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923066384 OWCWEYDDWMGMSQ-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)ccc1Br 1924596202 KOOLZSJVXBVZKE-SECBINFHSA-N 558.742 7.780 50 10 KKGE C[C@@H]([C@H](Br)c1c(Br)sc(Br)c1Br)[C@H]1CCCO1 1924615283 YSMDWACEQCLVFN-JKMUOGBPSA-N 511.899 6.287 50 10 KKGE CC1(C)CC(C)([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615429 ATFOADAPPUAKIF-QMMMGPOBSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1Br 1924616802 SYRBLAXLRFMFQY-IBCQBUCCSA-N 521.938 7.298 50 10 KKGE Cn1ncc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1I 1925595346 SDYQBVNSTGJOHM-RXMQYKEDSA-N 530.838 5.640 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1cccc(Br)c1Br 1943902555 GODCPNKZCQIKCZ-NSHDSACASA-N 503.879 6.828 50 10 KKGE Clc1sc([C@H](Br)c2cccc(Br)c2Br)cc1Br 1943904531 YORVESIRXZLNMK-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc(Br)sn1 1983290630 KTMMVYZXYIJPLC-RXMQYKEDSA-N 531.314 6.630 50 10 KKGE N#CC(=C1S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 2053610994 CUPJPFVLVXMXPO-GDLZYMKVSA-N 603.630 5.674 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CCC2CCC2)c1Br 2085493533 CTDQMXPCJDPCIH-QMMMGPOBSA-N 568.767 7.753 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Br)c2)s1 2086378452 NQQWFTPHBBZXLE-CYBMUJFWSA-N 502.009 5.998 50 10 KKGE CCCC[C@@H](CC)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471374 QRGHMIOYKJXEHW-PRHODGIISA-N 584.810 8.389 50 10 KKGE FC(F)C1CC(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394543 HUYNUBLVFPUPBK-GVNUUABZSA-N 560.296 7.698 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCC[C@@H](C2)OC3)c1Br 2206402125 OZVYGACSVQNOEA-GTNLGMRDSA-N 596.777 7.132 50 10 KKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(Br)cc2I)C1 2207270544 BWNYIVFWWFBMCY-GHMZBOCLSA-N 515.027 5.126 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2207275753 OGUIMYOVTBXVHB-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csnc2Br)c(C)c1Br 2220152505 TZJRSBDLDTWSAY-LLVKDONJSA-N 518.894 6.532 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2229140930 PAXMOQFCKPGCMB-GFCCVEGCSA-N 518.389 6.525 50 10 KKGE Clc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277965661 NATVWWSAERNCJX-LBPRGKRZSA-N 532.295 7.306 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2I)c(C)c1C 2284588529 HVGVJLUGRZBPDG-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE COc1ccc([C@@H](Br)c2cc(F)c(Br)cc2Cl)cc1I 2285008497 KIACBXVDWIWBIP-CQSZACIVSA-N 534.388 6.339 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198447 RLBWBWISNXIBLX-JOCHJYFZSA-N 607.744 7.474 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=CC=C1C[C@H](CCCO)C[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)(C)O[Si](CC)(CC)CC 2294819201 YXNUEBDKPRQSQF-ZZTPVCRDSA-N 701.282 13.038 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2ccccc2I)c1 2299497113 WPOBFDCNCCXXAD-HXUWFJFHSA-N 558.051 7.117 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(I)cc1 2313566909 DFFFIJPPHYIVPB-UHFFFAOYSA-N 613.883 5.788 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313568954 ZOTWSQKMRQDOEH-UHFFFAOYSA-N 521.842 7.264 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 2313670821 YJYJSSOEDUXKBY-UHFFFAOYSA-N 517.412 7.670 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1csc(I)c1 2313815778 HBHQTOAWSBVNNN-JTQLQIEISA-N 500.385 6.889 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 2314616674 GZLORJSIUPHXQG-UHFFFAOYSA-N 506.602 6.074 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314616932 NAPRPUFEJSUGJL-FQEVSTJZSA-N 518.617 5.706 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617151 RSDURKZASJCQGK-UHFFFAOYSA-N 659.573 8.526 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634309 AMTATDRDYJKRFC-MUUNZHRXSA-N 516.981 5.974 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640654 IBYSOUMPGCCNDX-HKBQPEDESA-N 569.444 7.409 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314643346 USNTYDZOZNFBQZ-JGCGQSQUSA-N 633.915 8.071 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 2314646733 LLVHCOMZYDDQJH-NDEPHWFRSA-N 667.187 6.288 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 2314738436 PQDVFXNIPCOUDS-UHFFFAOYSA-N 504.026 7.475 50 10 KKGE CC(C)CSc1ccc(C(=O)NN=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)cc1 2321248400 CBASQFCAGSNRSY-UHFFFAOYSA-N 506.071 6.886 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)n1 2331282053 XWVHVQXIYMGQIH-UHFFFAOYSA-N 517.610 7.278 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(OC)cc3)n2)cc1OCCC 2331293460 OABYRDUPHZPQEW-UHFFFAOYSA-N 508.640 7.048 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1C 2331366289 JQKFJTZQBATQRK-UHFFFAOYSA-N 502.552 5.431 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)CCCOc3ccc4ccccc4c3)n2)c1 2331376435 DXYZRODYCLEFON-UHFFFAOYSA-N 500.620 7.413 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1C 2331402760 NRZCKLLQHDSWIH-MRXNPFEDSA-N 510.015 5.943 50 10 KKGE CCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)cc1OCC 2331461190 URISPMHGDZRAFU-UHFFFAOYSA-N 504.696 8.148 50 10 KKGE CCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 2331467527 AKDMMCCXLSRQKB-UHFFFAOYSA-N 503.451 7.767 50 10 KKGE Cc1cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)s1 2335356361 PSCUSKSVMYKMQR-VIFPVBQESA-N 511.863 7.512 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1sccc1I 2352794833 WKNJLEILZQPOTI-CQSZACIVSA-N 514.064 7.031 50 10 KKGE Cl[C@H](C[C@H]1CCC[C@@H]2C[C@@H]21)c1c(Br)c(Br)cc(Br)c1Br 2358264611 PIASGMAGUFKWKX-KZFFXBSXSA-N 550.354 7.843 50 10 KKGE Cc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362220468 KXCAPVXXSHTGBV-NSHDSACASA-N 597.285 7.401 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C(SCc1ccccc1Cl)SCc1ccccc1Cl 3059096 MCJLZHUOOPSMEC-UHFFFAOYSA-N 503.451 7.673 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)ccc1Cl 38649817 JKJVBNXIPDHWTQ-MHZLTWQESA-N 502.998 6.149 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OC 38660303 FGKRVRGEMAMVMO-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 38681183 NIJGRUXSIDZFIL-NDEPHWFRSA-N 512.562 5.486 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)oc2c1 38700572 GSRSLGHELYCKSD-XMMPIXPASA-N 519.384 7.102 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1NN(c1ccccc1)c1ccccc1 40777889 IWZDVMZTTNMFCE-UHFFFAOYSA-N 501.594 5.499 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc1Br 40950696 OWIFSPZIQALRCE-GZIVZEMBSA-N 504.606 5.020 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 58894838 WPMYTOXSTIXWLG-WJUWAZFDSA-N 505.618 6.205 50 10 KKGE COc1ccccc1N(CC(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 58993496 YYTRSVCADXXCOW-DXJNIWACSA-N 564.063 5.273 50 10 KKGE COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1C 59305453 VSQMFPWEOILFRB-FMFFXOCNSA-N 517.585 6.572 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 100235883 IIKWUGVVHZPNOY-WGNDPNKDSA-N 529.406 5.530 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 100236087 RKPNAJQAWPWEBE-PEHSQKLVSA-N 555.469 5.708 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243405 KYCMHZVOOAEAJL-MGLWIZMLSA-N 563.645 7.132 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)C1=O 101334402 JFHBVUADKDWZFC-NXFJEDKMSA-N 506.606 5.562 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 101337095 VPICCBHNJAFGGL-IPACTHBOSA-N 571.077 6.143 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101339520 FRAUUUPYRBTFEY-QXUDOOCXSA-N 608.673 7.358 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 101368639 NTCZRNRVIVHPOF-MUUNZHRXSA-N 544.604 5.719 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381139 UKPRJTFZERATIX-PMERELPUSA-N 618.429 6.683 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1Cl 101388067 GIXNTFXNRKQKBS-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc(OC)c1OC 101393474 SZHIZKAIPVWWKX-MHZLTWQESA-N 540.572 5.821 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(C(F)(F)F)ccc5Cl)c(C)c43)coc2c1C 101619606 BUMONGRMCXZCKH-XICOUIIWSA-N 571.983 7.275 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 101706824 JJUKWKUTUKCLTG-LICLKQGHSA-N 614.352 6.017 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1OC 102779703 JYXJUPLDNGZVIW-PMERELPUSA-N 575.146 5.691 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(=O)OCCOC)c1C 102924665 GMEKINSHOGCGAE-FOWTUZBSSA-N 542.595 5.045 50 10 KKGE CCCCN1C(=O)N[C@H](c2cccc(NC(=O)[C@H](Cl)c3ccccc3)c2)C(C(=O)OCC)=C1c1ccccc1 103026047 LIGGWKZLVZBSCR-KAYWLYCHSA-N 546.067 6.446 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCC(=O)c2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 103122121 TYGFDUSORBOPRG-ZDLGFXPLSA-N 525.914 6.581 50 10 KKGE CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)s1 105622381 VDGBZGXGKNMFIX-UVHMKAGCSA-N 550.468 5.254 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2cccc(I)c2)cc1OC 109860465 RQSLMIYAGFGNQE-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NCCCn3ccnc3)c2)cc1 110554665 JQQMKENKYPNDGF-TURZUDJPSA-N 542.643 5.737 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(F)c2Br)cc1Br 156135926 LDIRESGEWOMHEU-CYBMUJFWSA-N 515.840 6.906 50 10 KKGE C[Si]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 196166268 BSRZDQSTEHZNBJ-UHFFFAOYSA-N 918.600 11.841 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 214315237 ZLMPAFPTHFEJDY-OYKKKHCWSA-N 522.536 5.463 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214347308 RAAOGLPLDSJKBD-XSVYLIDLSA-N 604.710 7.262 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 214406259 CAAQCRAFWPFFHH-YSMPRRRNSA-N 533.519 5.379 50 10 KKGE COc1ccc([C@@H](Br)c2ccccc2I)c(OC)c1Br 224849091 OKIOFZBHJJWIOQ-ZDUSSCGKSA-N 511.979 5.555 50 10 KKGE Cc1sc([C@@H](Br)c2cc(I)ccc2Br)cc1Br 235971286 LFZFCWKGGOHRFD-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](O)[C@@H](O)[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 248136580 ACJHNDYFTFXEOF-HIYYHVEESA-N 984.181 5.736 50 10 KKGE CC(=NNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 252640055 YQDQKLZJQQTFEU-RWSVXVLSSA-N 612.702 6.527 50 10 KKGE CCOc1ccc(C2=C(C=NNC(=O)c3ccc([N+](=O)[O-])o3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 254814173 AWYOQFKCQRKCSA-MHZLTWQESA-N 527.508 6.077 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]21 306146139 BPGJURCSNNEWPC-GXDFYWDTSA-N 665.117 10.165 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1coc(Br)c1 385995205 QMVAEXXFCQFLFN-UHFFFAOYSA-N 503.810 6.041 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 388393789 WCFLWTCOSYXHCN-INIZCTEOSA-N 506.181 7.593 50 10 KKGE C[C@@H](Cl)c1nc2cc(Cl)c(Cl)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616554 KGFUGDPNSJHMRP-LJQANCHMSA-N 514.884 7.114 50 10 KKGE Clc1cc2c(c([C@H](Br)c3ccc(I)c(Br)c3)c1)OCC2 721591304 ZXUJAWFKVIBKNJ-CQSZACIVSA-N 528.409 6.126 50 10 KKGE CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC[Si](OCC)(OCC)OCC 725407006 WTGRXNVSTCIMOE-UHFFFAOYSA-N 603.215 7.417 50 10 KKGE CC(C)CCNC(=O)c1ccc2c(c1)nc(Nc1nn(COCC[Si](C)(C)C)c3ccc(Br)cc13)n2[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1 725410166 VODMISFGENIVMD-WXUXXXNLSA-N 784.005 10.486 50 10 KKGE CC(=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1083887343 HWEYIWLZUWOHRD-UHFFFAOYSA-N 603.144 6.253 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084103147 ZQLFYAPMKGJCKK-UHFFFAOYSA-N 609.082 7.756 50 10 KKGE O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084191810 AXIGJYRNBNULCY-UHFFFAOYSA-N 538.456 6.153 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(Br)o2)cc1 1084221568 SHJLCDSOLCGNEF-UHFFFAOYSA-N 527.216 6.335 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1 1084280909 WVWCDNDXYHVYCJ-MTJSOVHGSA-N 511.553 7.007 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1 1084287844 NMYNVKQBCOKRDG-UHFFFAOYSA-N 513.775 6.200 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](N3C=C[C@H](NC(=O)c4ccccc4)N(C)C3=O)[C@@H](OC)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1565534958 LCLFYBGFFZSQOB-VJNLXJEMSA-N 794.034 7.780 50 10 KKGE C=C(C)[C@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12 1565536206 PKAPKLCGHVIAEA-UFZKFAMCSA-N 598.869 6.889 50 10 KKGE COc1cc(C=NNC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCCc1ccccc1 1772756567 XAZXHOPKJVADLN-UHFFFAOYSA-N 545.861 5.879 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)ccc1O 1865680981 BNAHKGNGSLGPSZ-QHCPKHFHSA-N 529.394 5.624 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865687002 HGGRAURNROXGDA-JOCHJYFZSA-N 530.522 5.885 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687973 FKLRWKPGTUXFKG-MHZLTWQESA-N 500.643 5.996 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688419 RMNNRJLOLDVNBJ-NDEPHWFRSA-N 575.496 6.649 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1 1865689548 BXTGXTWNEPJXLT-HHHXNRCGSA-N 506.606 6.004 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865691306 PDLLKQHCUZRHMN-FQEVSTJZSA-N 577.401 6.037 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)c1 1865694572 XHLBIXSKMRDWLY-VWLOTQADSA-N 512.997 6.208 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865696138 KFXOOTHOUYFBPJ-HSZRJFAPSA-N 526.559 6.054 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCCCc1ccccc1 1865697209 POQGFKVKWGRXPC-LJAQVGFWSA-N 559.041 6.271 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697587 XHUCFFSYQZNBBJ-QFIPXVFZSA-N 539.430 5.221 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2cc(Br)cc(Br)c2O)C(C#N)=C(N)O3)cc1 1865700680 AYXUEUSOVIFMRK-IBGZPJMESA-N 574.273 5.663 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccccc2Cl)c1 1865702789 FJPTYOHNYKRMDK-WJOKGBTCSA-N 573.096 7.666 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865703592 CCXQJGIBDVIDNC-RUZDIDTESA-N 539.517 6.236 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 1865704467 WLSAEAPRXFBNQT-XIFFEERXSA-N 560.657 7.549 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1865706118 NYNYOCXXXDVTKL-INIZCTEOSA-N 510.259 5.383 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865707307 SYEQVRHCNRAWKY-WJOKGBTCSA-N 537.667 7.092 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712188 RRPLBRVCDSEWRY-HHHXNRCGSA-N 506.606 6.012 50 10 KKGE N#CSc1ccc(NC(=O)CCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 1866025097 BTGVFYKQNUTVSQ-UHFFFAOYSA-N 666.971 5.935 50 10 KKGE CCC[C@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867028801 IKWLNRPDZHJNJJ-VXKWHMMOSA-N 535.695 5.237 50 10 KKGE CCC[C@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867197669 KVUKTLGZYRLIJP-YADHBBJMSA-N 502.478 6.076 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c1 1872754804 JVYQITSRPUDKSM-GYHWCHFESA-N 513.059 7.530 50 10 KKGE Brc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ns1 1899852975 REDVOWCUEBGOMM-QGZVFWFLSA-N 518.068 6.731 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CC23CCCC3)c1Br 1924569278 SKPZVFSKYKKSNX-HTRCEHHLSA-N 507.911 7.052 50 10 KKGE Brc1occc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579855 LCLHYUULBILHBI-RXMQYKEDSA-N 558.709 6.875 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1C 2039502752 KJCKCYMPTOZNKW-SSDOTTSWSA-N 558.380 7.852 50 10 KKGE FC1(F)[C@@H]2COC[C@@]21[C@@H](Br)c1c(Br)sc(Br)c1Br 2043522771 ZEGYXQXKSHOGDY-PHTXQJRJSA-N 531.836 5.753 50 10 KKGE Cc1sc(Oc2c(I)cc(Cl)cc2I)nc1CCl 2052541406 RXZFXSQYDFGYJS-UHFFFAOYSA-N 525.964 5.845 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[P@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053612776 NXUMXIWYVRKXMF-SJARJILFSA-N 598.647 7.928 50 10 KKGE Cc1ccccc1NC(=O)CSC(Nc1cc(C(F)(F)F)ccc1Cl)=C(C#N)c1nc2ccccc2s1 2053622890 TZIWWIJZVRKBQW-UHFFFAOYSA-N 559.038 7.953 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@]23CCCOC3)c1Br 2077424845 XAAYXCFQLZPGEH-BLYIZYRKSA-N 523.910 6.288 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1Br 2083335316 RXIWGRBQCCWRFV-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE CCC[C@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121063989 KBWSDCPBYVSVGL-QMMMGPOBSA-N 516.857 5.791 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]2c2ccccc2)c1Br 2135279446 WCHDRCUWGQABEQ-NGZCFLSTSA-N 529.917 7.275 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206409853 SXFQGDQXUZVBPJ-CYBMUJFWSA-N 615.154 7.966 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)c(Br)cc2F)c1C 2225615975 MFBPVBXUNREPSB-LBPRGKRZSA-N 535.896 7.276 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)Cc1ccccc1I 2225616533 PIWGPBJFMGILHB-LBPRGKRZSA-N 518.389 6.478 50 10 KKGE CCc1cc([C@H](Br)c2c(Br)cccc2Br)sc1Br 2255980660 UYRCJFXFZSCKLK-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1sncc1Br 2260005754 LBEXFXGVSALYSD-QMMMGPOBSA-N 526.820 6.193 50 10 KKGE C[C@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C(C)(C)C 2272459158 FORWJFFDEGKQJE-VIFPVBQESA-N 503.016 5.078 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3scnc3c2)c1Br 2278619436 RLCHMQYPMKFKNJ-VIFPVBQESA-N 546.929 7.130 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cccc(Cl)c2Br)s1 2283193684 KZQYDNJWQZFDHM-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 2294147019 XECKRJAVZMRPMH-UHFFFAOYSA-N 504.417 7.249 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc1 2295483045 UMFBTUSMDYDXBE-UHFFFAOYSA-N 627.495 5.648 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2296647825 FOZSMQNUMSGCJD-UHFFFAOYSA-N 611.496 5.656 50 10 KKGE C=C(C)Cn1c(SCC(=O)NN=CC(Br)=Cc2ccccc2)nnc1-c1ccc(Br)cc1 2297298376 VBYWLSGXPFACQK-UHFFFAOYSA-N 575.330 5.914 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(I)cc1 2313568949 ZMXJGTADKAATSY-UHFFFAOYSA-N 650.254 6.338 50 10 KKGE Clc1cccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314492873 YDOWCCONKZKZPX-LJQANCHMSA-N 545.496 7.928 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1C 2314593962 WNSSQTBHHKVSJA-RNWIMVQKSA-N 523.702 6.731 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314618949 XGNWTHUSTNGEHP-SSEXGKCCSA-N 605.094 6.543 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)cc1 2314646589 DNWJOJOARRETJX-RUZDIDTESA-N 655.132 5.127 50 10 KKGE CCOc1ccc(-c2c(C)sc(NC(=O)C(C#N)=Cc3ccc(OCC)c(OC)c3)c2C(=O)OC)cc1 2314754200 MXIAGFAWKSGUJY-UHFFFAOYSA-N 520.607 5.862 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 2331331043 QVVGUECGQYIHHG-HXUWFJFHSA-N 501.608 5.770 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331449114 NJUCUSYOVHETBB-UHFFFAOYSA-N 525.432 8.216 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Br)sc1Br 2335367977 BJOYHRICLYCFQY-MRVPVSSYSA-N 576.732 7.966 50 10 KKGE FC(F)(F)[C@@H]1OC2([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)CC1C2 2361204884 IJQATIHBTOAEIG-HSOIFAIESA-N 506.156 6.574 50 10 KKGE Cc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362228441 DFRYXWXYPBZLCC-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Fc1cccc([C@@H](CI)OCc2cc(I)ccc2Br)c1 2367603056 XLCBDMPVSVRYHU-OAHLLOKOSA-N 560.970 5.886 50 10 KKGE CC(C)(C)[C@@H]1CC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2369056416 PWKIQQUNUCPPMO-DNSOKLHBSA-N 596.821 8.245 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@](C)(C(=O)O)c1ccc(OCc2ccccc2)cc1 2377092087 PVHFGWBMJXNVRH-VWLOTQADSA-N 506.690 5.061 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(OC)c1OC(=O)c1ccccc1 3013942 CVZWRAZCACFTLL-QFIPXVFZSA-N 573.403 5.294 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OC(C)C)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 6167541 KRAFZMZSSIATFU-MXLALAGBSA-N 621.756 6.015 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13564158 ZUOXTRHTZZJBSL-UDXHRHDRSA-N 512.393 6.197 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)c1 38684240 CJTZMLRFWCGMOF-LJAQVGFWSA-N 528.605 5.956 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38701320 JISZKBPDSUOVQS-MUUNZHRXSA-N 526.564 6.887 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 40514591 RBFVXCRGABNFIW-OVVQPSECSA-N 506.606 5.863 50 10 KKGE O=C(Cc1cccc2ccccc12)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 59155862 XWOOTJVKAHRDDO-QVTSOHHYSA-N 512.407 5.255 50 10 KKGE CC[C@@H](C)Oc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 100251988 IDTNHMFMTJTORD-LJQANCHMSA-N 546.693 5.363 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2c(c1)OCO2 100452356 DTYUOXWPXIIATD-LCVHJTKWSA-N 551.437 5.449 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 101013277 AAOFLQVKGLRXFP-PLRJNAJWSA-N 551.672 5.568 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 101014396 LGTZTCXCOGMORE-BRPDVVIDSA-N 607.157 6.096 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 101099309 AWHGMBJUIOJQTQ-UHFFFAOYSA-N 565.335 5.397 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/Nc1c(Br)cc([N+](=O)[O-])cc1Br 101235286 XJAIONCONXPKPP-HNEYUBDGSA-N 560.202 5.386 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241365 LFJGDDYJKAFBJQ-RAMZYJDASA-N 536.484 6.353 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 101246361 MZJBXFKRQGXMLN-IEQIIXMPSA-N 536.484 6.984 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)c(C)c1 101246868 KKATYGKZKIBIFR-DBTLDAOKSA-N 552.483 6.684 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1 101367328 GYDWYMQGKMYEQT-KACQLMOOSA-N 544.607 6.420 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1 101367464 POKNBZMNYMFNSH-JGCGQSQUSA-N 597.067 6.747 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101367806 GKQCIPSYDPZHII-GDLZYMKVSA-N 549.023 6.039 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCCC(C)C 101368299 VDORJTIFTWFFKX-HHHXNRCGSA-N 529.549 5.466 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1Br 101370199 KKARUGOJXROYLU-HSZRJFAPSA-N 546.204 5.958 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101378124 RRUWLCQECWRACM-XMMPIXPASA-N 602.556 6.934 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)oc2c1C 101397959 MNWZUSKVVRABPX-HKBQPEDESA-N 574.608 7.514 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(F)cc1 101399918 QGHCPHRYUQOEOM-YTTGMZPUSA-N 604.590 6.347 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)ccc1Cl 101615215 RFQWFVPWMZDMGI-VVEOGCPPSA-N 528.808 5.759 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc2ccccc12 101709891 TWTXFGXPDLAAFF-MYYYXRDXSA-N 580.482 6.937 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2cc(Br)ccc2Br)ccc1Br 124610568 LXDUYUYDQXJQIJ-ZDUSSCGKSA-N 551.820 7.477 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150409649 NLHDGWNCBQZCDG-UHFFFAOYSA-N 643.170 6.392 50 10 KKGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1S(=O)(=O)N1CCCCC1 150479778 LCPKIMAQABKISR-BULFRSBZSA-N 641.264 5.794 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 150497619 GVSUZCGKZSEGEC-GZZLJNBRSA-N 661.784 5.557 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 150498227 BPJMISITOHCJAQ-VUTHCHCSSA-N 654.148 5.006 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 214376805 XKQNPZBHAVGZRH-YSMPRRRNSA-N 532.575 5.788 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1csc(I)c1 234916628 NOGIBFDTLXQMOS-GFCCVEGCSA-N 505.972 5.747 50 10 KKGE CO[C@]1(CBr)O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccc(C)cc1 252438214 CZFCSSKUAJZSPB-ACXCVDCASA-N 611.485 5.356 50 10 KKGE CCCC(=O)OCC(=O)[C@@]1(OC(=O)CCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253533013 HUXCOHMTWUSXGY-VCYIPQMVSA-N 567.550 6.114 50 10 KKGE Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254287179 MZIKMPUAFADXFT-UHFFFAOYSA-N 560.589 5.328 50 10 KKGE COc1ccc(C=NNC(=O)c2cc(-c3ccccc3OCc3cccc4ccccc34)n[nH]2)cc1OC 254391790 WSZFHHOZTCAZMM-UHFFFAOYSA-N 506.562 5.590 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254872873 YRCBAUXUSXFFCS-UHFFFAOYSA-N 609.808 7.361 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=N)nc3O)C[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575629456 JKIAWSKNARVOSB-IIJZIWTASA-N 767.999 7.327 50 10 KKGE CCO/C(O)=C(\C#N)[C@H](c1ccc(Cl)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145738 ZGOAHPRMVIRWKL-HUMKFQICSA-O 527.826 5.683 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3ccc(Cl)cc3)c2C)cc1 725380936 YBHFJMCGOMMPEW-UHFFFAOYSA-N 504.881 6.202 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 725404236 UIWYWLOVWKCDLS-RUZDIDTESA-N 501.410 5.935 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)cc1 1083915681 SAEILEGYRDLPDF-UHFFFAOYSA-N 735.376 8.071 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1083936598 LZFMBYQAVIYNFZ-UHFFFAOYSA-N 657.929 7.419 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1083946071 JAGQPLCOVIXMST-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3cccc(OC)c3OC)cc2)c2ccc(C)cc2)cc1Br 1084047267 BWGLVUNQWUVNSJ-UHFFFAOYSA-N 652.567 5.943 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084194467 KUMRZKAVIKWXKI-UHFFFAOYSA-N 666.639 7.918 50 10 KKGE O=C1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 1084244021 JSVJZAGSKOBWSU-UHFFFAOYSA-N 642.328 5.701 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2c(C)cccc2Cl)o1 1084399836 KHJOLNINENMDIH-FQEVSTJZSA-N 565.099 5.841 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084428807 RUHUPGSYVBYPKA-UHFFFAOYSA-N 573.654 6.233 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Br)cc1 1084555220 WQQZTSFTIXMTIF-LICLKQGHSA-N 672.144 7.884 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1C 1084608488 MMJGLDKEDNSHQM-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2)cc(Br)c1OCc1ccccc1 1772753855 CFVIJXGRSXMCCO-UHFFFAOYSA-N 548.231 5.328 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC 1848440162 ADRIFEZZWAKXGJ-JFSPZUDSSA-N 859.406 15.093 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688819 BTYOASZYSIPVAD-SFHVURJKSA-N 549.347 5.262 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 1865693000 KLUUFOSBRAHKTM-XMMPIXPASA-N 512.997 6.208 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696312 ZBRLWIQSNTUJSN-MUUNZHRXSA-N 541.051 6.261 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704951 IQFHGPUUENZDTK-SANMLTNESA-N 525.008 5.975 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866990877 KQZDHNLWTMSOQB-CLJLJLNGSA-N 572.583 7.363 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1)N1C(=O)c2ccccc2C1=O 1872745383 KRJQSLHSQOPGKQ-JOWULSIMSA-N 503.580 5.331 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)cc1 1872746129 UBIBZOBXCICUHU-LCUIJRPUSA-N 507.571 5.607 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 1923055277 RHIBHJVOKDKSHI-MRVPVSSYSA-N 558.742 7.780 50 10 KKGE Brc1cc([C@@H](Br)Cc2ccncc2Br)c(Br)s1 1924047869 QQBYRYVJTBMBIG-QMMMGPOBSA-N 504.867 6.109 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(C)c1 1924584893 DUCSXHCPOYFNQG-SNVBAGLBSA-N 517.906 7.137 50 10 KKGE Cn1ncc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924608021 CCHBDXCZFQAAFX-ZCFIWIBFSA-N 528.289 5.860 50 10 KKGE FC(F)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 1995046775 AXBXPPXRJPKBSY-RXMQYKEDSA-N 506.204 6.672 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2026221299 KBKXRYRRPLGEMH-LBPRGKRZSA-N 550.879 6.670 50 10 KKGE CC(=CC(C)C)[C@H](C)/C(=C1\CCC[C@]2(C)CCC[C@H]12)[C@@H]1[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]2n2c(=O)c3ccccc3c(=O)n21 2065336347 BKBXDVORXBDXJZ-PBHSYULCSA-N 645.017 9.975 50 10 KKGE Cc1csc([C@H](Br)c2ccc(Br)c(C)c2Br)c1Br 2083333958 PUUILCHCPBSSSI-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1sc([C@@H](Cl)c2ccc(Br)cc2I)c(C)c1Br 2086138446 ANRFMAOVBGEHOF-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE CS(=O)(=O)c1csc([C@@H](Br)c2cc(Br)ccc2I)c1 2093074704 OURVRTAQVXALHY-LBPRGKRZSA-N 536.048 5.003 50 10 KKGE C[C@@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1(F)F 2111648989 YOIAABCWNPOZOR-KWQFWETISA-N 501.456 7.531 50 10 KKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2141468031 FZAVWTONMMMEEV-LHLIQPBNSA-N 584.766 6.988 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CC[C@H]2CCOC2)c1Br 2141470174 YZLWLSUJHPHOJB-YUMQZZPRSA-N 584.766 6.989 50 10 KKGE CC[C@@H]1OCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471735 VMLPXWUXKBCTDZ-DQBIJJQNSA-N 584.766 6.988 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1ccc(Br)cc1Br 2145956103 JMNQHMHETNVZNE-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@H](CCBr)CC1 2149750052 ZPLXBMKPMPDFSO-LLVKDONJSA-N 515.027 5.081 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2c(Cl)cccc2Cl)c1Br 2203706725 SLTUUHOGSYMDHX-LBPRGKRZSA-N 501.871 7.506 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)OC2 2206396962 CMHFRZZQRYRLSP-MBWFCSIISA-N 552.326 6.976 50 10 KKGE FC1(F)CCOC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206398871 ZTATYCBRDUDVBY-BLTYZCFWSA-N 562.268 6.688 50 10 KKGE Clc1cc(C[C@H](CBr)Cc2ccc(Br)cc2)ccc1I 2208042414 CZDLFCDXRITGRU-CYBMUJFWSA-N 528.453 6.503 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1scc(Br)c1Br 2221704873 UZGTVGBRRFXYAA-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2ccc(Br)c(C)c2Br)c1 2232222254 HMBOTTSPRNVOJQ-HNNXBMFYSA-N 514.426 6.761 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232832391 AWFCYAANMFWXCW-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C[C@H]1CCN(Cc2ccccc2)C1 2234058463 GFZVWYJZXICOGC-HOCLYGCPSA-N 511.689 6.383 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2cc(Br)ccc2Br)c1 2277898270 VOZLRGWCDVVSEF-AWEZNQCLSA-N 576.746 7.415 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1c(F)cc(Br)c(F)c1Br 2288355267 OUYYABPWKXZFDX-GFCCVEGCSA-N 540.342 6.562 50 10 KKGE CC(C=NNC(=O)CNc1ccc2ccccc2c1)=Cc1ccc(C=C(C)C=NNC(=O)CNc2ccc3ccccc3c2)cc1 2296645064 WVJVLISWSYZUSQ-UHFFFAOYSA-N 608.746 7.228 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2sc(Cl)cc2I)c1 2300955485 MVGFYUURYDLZEX-NSHDSACASA-N 553.428 6.403 50 10 KKGE COc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571524 YHMRVNQXHBNEPK-UHFFFAOYSA-N 551.993 5.915 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313631945 ZOGIZUJHIIMAIU-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C1 2314433678 QKVYPLRCRLEWED-GOTSBHOMSA-N 590.709 5.919 50 10 KKGE Cn1nc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1Cl 2314440130 MSGNZNYMJOCLMW-HNNXBMFYSA-N 549.488 6.662 50 10 KKGE Fc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314448878 LFUZJLVXEJFVEW-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NC[C@@H]2CCCO2)cc1Cl 2314476756 VDUDBYDIAPQTCK-DEOSSOPVSA-N 505.018 5.574 50 10 KKGE Cc1c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)nn1C 2314485588 BMOKJTKWMJUYPC-GOSISDBHSA-N 529.070 6.317 50 10 KKGE Clc1ccc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314498509 VESDQKDUCRCXCN-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1ccc(Br)cc1I 2314498924 YZAAUGGPYXCIGE-HXUWFJFHSA-N 592.496 7.723 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2314503257 QNDUDIZWSXDUQF-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl 2314533958 VOSWRVHYPCJCDX-UHFFFAOYSA-N 538.913 6.322 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592072 LHHYRXBVEGJTPF-VWLOTQADSA-N 551.590 6.478 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 2314617119 QZLITDCHUJPPMU-QFIPXVFZSA-N 540.623 5.698 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314618994 XXAMYJUOIGDKHH-DEOSSOPVSA-N 542.639 6.680 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)cc1 2314646971 XGZHDNBNHBPCEO-WJOKGBTCSA-N 731.230 6.697 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OCC 2331359088 ZTCAPUCCDRATOG-UHFFFAOYSA-N 512.631 8.130 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc3ccccc3c2)cs1 2331417228 YOBSSALTXWKJHW-UHFFFAOYSA-N 512.226 7.258 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1Cl 2331473367 ZWWSHIXKILDIFF-UHFFFAOYSA-N 521.469 8.386 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2340064140 OHJDNVLBOOMMHU-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE Cc1nc(Br)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)n1C 2362488366 VOPOACXMCZZZNY-MRVPVSSYSA-N 526.281 6.698 50 10 KKGE Clc1ccc([C@@H](CI)OCc2c(Br)cccc2Br)cc1 2366182801 LTCTXWAEQNQUBV-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE COc1c(F)cc([C@@H](Br)c2cc(Br)ccc2I)cc1F 2370437097 LNRDAHSGRUMAFF-CYBMUJFWSA-N 517.933 5.825 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c1 1790737 LXTAHDYNFKSBBH-QPQMVVSWSA-N 552.881 6.476 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 33347213 OWTCZGRKGWLKRE-HMMYKYKNSA-N 509.027 6.888 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 38606649 DACJDACATLWIPG-WPWMEQJKSA-N 524.621 5.264 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OCC 38684058 PEGRBPVFQDBUBS-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(C)cc1 38686893 POYLMORJVNLWIO-NDEPHWFRSA-N 508.530 5.613 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813410 NJZFVKXCLCEREN-MTDXEUNCSA-N 515.353 5.203 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2ccc(CC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 40977732 YQJXXOLTCFEJGD-HAVVHWLPSA-N 504.608 5.294 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 58893258 ISWKQVMKOICSJJ-XMJXUFPISA-N 501.410 5.935 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c(Br)c1 100174923 OSVRCDGLIBBBKD-UHFFFAOYSA-N 562.258 5.046 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1 101362124 UIDVGFSVLPQHAM-OWNNABMUSA-N 535.427 7.009 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 101362505 SDKAIGMTDIZLKH-KEEVHDRGSA-N 536.559 5.996 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1C 101362565 SVVJRLISMAYGCM-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCCC(C)C 101375226 ILVMVCJORHQANY-MUUNZHRXSA-N 543.576 5.856 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381359 OXAFPEFVWKYCQW-PMERELPUSA-N 587.459 7.408 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384054 CQGJQOPGQIGWKO-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1Cl 101393599 PDZHLWKBGQDPSB-DEOSSOPVSA-N 604.284 6.991 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(F)c1 101393920 ZHOOXBJHVAFDDY-FQEVSTJZSA-N 545.806 7.438 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101394743 MWPBZBZTZQRGDJ-LJAQVGFWSA-N 603.140 8.268 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 101395441 JFGHCZOROSAGBV-LJAQVGFWSA-N 617.496 7.519 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccc(Br)cc32)cc1 101647212 HVAQAAFJVNMLTH-NUDFZHEQSA-N 610.980 7.262 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1c(F)cccc1Cl 101727581 MFNCNHSFZIGZHC-IURWMYGYSA-N 590.529 7.476 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 102007323 NXNXKSDZPMLNQA-MZJWZYIUSA-N 539.455 5.546 50 10 KKGE CN1/C(=C(/C#N)C(=O)CN(CC(=O)/C(C#N)=C2/Sc3ccccc3N2C)Cc2ccccc2)Sc2ccccc21 102851744 SEKCGRLILJXVKN-WECXDZCISA-N 563.708 5.581 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 102861716 STAQWYPHOIHCHM-WQNJBNFLSA-N 542.614 7.042 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 103793851 VIGJLFLCMPAEAC-HKOYGPOVSA-N 564.711 7.149 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(F)cc1 103876646 XAMGWSZJOVIPKH-AMVVHIIESA-N 586.255 7.168 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc2ccccc2c1 103883703 JSCHBAJKWNKLQS-OVVQPSECSA-N 582.498 6.446 50 10 KKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800067 YFWXCURGLIDYKA-MOSHPQCFSA-N 562.632 6.608 50 10 KKGE O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105069609 SCBAEEWOAYVRTG-KPGMTVGESA-N 539.846 7.569 50 10 KKGE O=C(Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105626735 USHMUYXBKWLAGW-MRUKODCESA-N 582.150 5.555 50 10 KKGE ClCc1csc(CCCCOc2c(Br)cc(Br)cc2Br)n1 110435708 NJWOJMRVMWWIAE-UHFFFAOYSA-N 518.496 6.571 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)cc1 150411011 IESLQBGWIPJRTP-LIWTUZSWSA-N 662.768 5.499 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 150573475 JYIAELDLQKOCRS-VTNSRFBWSA-N 624.527 6.992 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 163354137 DUUMLPGNNXSLQI-RUMWWMSVSA-N 670.602 8.015 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 214372322 KEHLEANVTZSGEB-USHMODERSA-N 574.637 5.400 50 10 KKGE Brc1ccc(I)c([C@@H](Br)Cc2nc3ccccc3o2)c1 232478109 VMCXFQFJYLLAPF-NSHDSACASA-N 506.963 5.874 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)c1c(-c3ccccc3)nc3n(Cc4ccccc4)c4ccccc4n13)C(=O)N2C 254386451 MZOKUXXMMVATLB-UHFFFAOYSA-N 538.611 5.423 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254701630 RNHFSQATPICZDT-UHFFFAOYSA-N 559.739 7.450 50 10 KKGE Cc1cccc2c(C(=O)NN=C(CCCCl)c3ccc(C(C)(C)C)cc3)cc(-c3ccc(Cl)cc3)nc12 254760467 YZVNCQMGWQWUSS-UHFFFAOYSA-N 532.515 8.314 50 10 KKGE CC[C@H]1CCCCN1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C 256019870 JRPIGDSZZWVEGS-HJSHSUPBSA-N 500.113 5.463 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2sccc2I)cc1Br 310366240 VPIANAJLOJLLGA-NSHDSACASA-N 506.428 6.514 50 10 KKGE Cc1cc(CBr)ccc1Oc1c(I)cc(Cl)cc1I 382304558 PUAFDWMBDFDIQO-UHFFFAOYSA-N 563.398 6.545 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(=NC(=O)c3ccccc3)nc2O)O[C@@H]1COC(=O)c1ccccc1 616588540 TZMFBGAEAJSVGT-RCQLHAJISA-N 765.921 7.136 50 10 KKGE Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1c(Br)cc(Br)c(O)c1Br 1082989105 OHWKTJGKUHDAMF-UHFFFAOYSA-N 563.084 5.641 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1083949390 NDUPMRZOPFVRPA-UHFFFAOYSA-N 553.210 6.172 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)c(OC)c1 1084194683 LCJKJJKTLGWCKQ-UHFFFAOYSA-N 652.567 5.943 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084229084 CELAKXUPOQXJLO-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CC(C)Oc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 1084298891 RTAMCXRCADEESM-UHFFFAOYSA-N 553.990 5.492 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)c2ccc(C)cc2)cc1 1084341105 FZXWWRSLDMWKNT-UHFFFAOYSA-N 546.718 5.470 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)c1ccc(Br)cc1 1084493866 WVQPLTIHCZIKHA-UHFFFAOYSA-N 562.556 7.179 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1ccc(Cl)c(Cl)c1 1084608279 AAYRELGCVXAVMV-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745375 XOWFPMGVARQOIS-UHFFFAOYSA-N 505.530 5.522 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749780 ZLKPKZMOKNCKME-UHFFFAOYSA-N 527.624 6.982 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)Cc1coc3c(C)c(C)ccc13)CCC2 1772751537 FLJDJAZHEPRLJZ-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)ccc1O 1865681049 CZJBEUPDUPUFDB-SFHVURJKSA-N 508.859 5.065 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)ccc1O 1865681467 NXKQZTVKKYRRIE-VWLOTQADSA-N 512.541 5.069 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@@H]1c1c(Cl)cccc1Cl 1865685669 LRGVCEVIITWLDR-NRFANRHFSA-N 507.808 6.777 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 1865686022 QHYGEDDPOVSCGB-GOSISDBHSA-N 501.295 6.569 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865688549 UXDZKDUVQIABKR-WJOKGBTCSA-N 554.650 7.044 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1c(Cl)cccc1Cl 1865689217 MUTLKXXZBMOGGY-LJAQVGFWSA-N 575.496 6.969 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(OC)cc1 1865692744 HUEJUGSTKFUVHD-VWLOTQADSA-N 508.578 5.563 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865694424 YCFKCBZARIBIOL-RUZDIDTESA-N 543.023 5.886 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@@H](c2ccc(OCc4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694925 FRYFUHZMTVJIHR-NDEPHWFRSA-N 562.029 6.393 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1865696498 OAKPAQOQXFICFK-LJQANCHMSA-N 520.214 5.818 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697117 XKHYUYHLKPRJCQ-QFIPXVFZSA-N 549.812 5.888 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701043 KHZIDNNXGVZEEX-MHZLTWQESA-N 545.014 6.092 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701385 UMEKOSYDYVUZGY-NDEPHWFRSA-N 559.041 6.482 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(Cl)cc1 1865701462 WCPMUCRKHRXLIV-HHHXNRCGSA-N 530.987 5.838 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(OC)cc1 1865703332 TYMLTBKHQNKLTM-AREMUKBSSA-N 508.578 5.563 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)c1OCc1cccc(C)c1 1865704878 GWPBVOFLLHJAAB-PMERELPUSA-N 528.612 6.448 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711984 MXLSMGDFJOHNEK-DEOSSOPVSA-N 541.951 5.149 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712127 PZCABQPRVQYUON-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)Nc2ccccc2)c1C 1866129458 VENSOGVXMFWHOM-GHRIWEEISA-N 538.423 5.794 50 10 KKGE CCCC[C@@H](NC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc12)C(=O)Nc1ccc(SC#N)cc1 1866932611 NOEKYGIIBFJBCL-AREMUKBSSA-N 549.071 7.057 50 10 KKGE CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)c(Cl)c1 1866985949 XIUSTKIJYAGWMB-LOSJGSFVSA-N 544.479 6.811 50 10 KKGE COc1cccc([C@H](C)CC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867098081 XEMKPXXDDJZNJP-XHCCPWGMSA-N 531.634 5.053 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)cc1OC 1872727557 JXJSKZXCVPOZMR-RCCKNPSSSA-N 505.615 6.555 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3c(Cl)ccc(Cl)c3Cl)n2)cc1Cl 1872756619 SKHNHXXTQMFGKS-GRSHGNNSSA-N 502.206 7.391 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cccc(Br)c1Br 1923067585 FMBLQTSPVGTSHJ-MRVPVSSYSA-N 603.193 7.936 50 10 KKGE CCCCC1CCC([C@H](Br)c2c(Br)sc(Br)c2Cl)CC1 1923071800 LACGVTOHAJKNQQ-CBINBANVSA-N 507.557 8.359 50 10 KKGE CC(=O)[C@H]1CC[C@](C)(C(=O)OC(=O)[C@@]2(C)CC[C@@H](C(C)=O)[C@]3(C)[C@H]4CCCC[C@@H]4CC[C@@H]23)[C@H]2CC[C@H]3CCCC[C@@H]3[C@@]12C 1933246596 GTOLHEXSZJNTGA-ZTLZYWFPSA-N 594.877 8.512 50 10 KKGE Brc1cc([C@@H](Br)c2csc(Br)c2Br)c(Br)s1 1937734311 GUIRCPRMNWDWOO-ZCFIWIBFSA-N 574.777 7.344 50 10 KKGE Brc1sc([C@@H](Br)c2csc(I)c2)cc1C1CC1 1945802697 FHHRTIZNVVQCNL-NSHDSACASA-N 504.050 6.538 50 10 KKGE CC(C)C(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946434965 QFMYSYSANCNMNT-SNVBAGLBSA-N 538.843 5.347 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1cc(Cl)ccc1Br 1993166658 XZARFSQEURKOEZ-MRXNPFEDSA-N 518.617 5.338 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2040543485 XBWSKTCTPUMMPT-VYFZPWGTSA-N 529.864 6.763 50 10 KKGE Cc1cc(C(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccs2)c(C)n1-c1ccc(OC(F)F)cc1 2042446457 ZZUQXEWAVOKBBZ-UHFFFAOYSA-N 540.595 7.400 50 10 KKGE Cc1ccc([C@@]2(C(F)(F)F)NC(=C(C#N)c3ccccn3)O[C@@H]2C(=O)c2ccc(Br)cc2)cc1 2042449340 AEPPTCQQDBSTRG-ISKFKSNPSA-N 528.328 5.674 50 10 KKGE COC(=O)C[C@@H]1CC[C@@H]2O[C@H]([C@H](C=CI)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1 2054663960 MIEJSEPCTMXSCI-MQDWOWRASA-N 771.011 8.984 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(=O)OCC)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2055457897 GDQYJABERVWRRO-BJIDHACZSA-N 659.157 11.556 50 10 KKGE Cc1ccoc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496020 OKLGHIHBBICZAM-LLVKDONJSA-N 522.256 6.966 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCC3(CC3)C2)c1Br 2141475179 JWDBVKMHWJGQLW-RDDDGLTNSA-N 580.778 7.753 50 10 KKGE Cl[C@@H](Cc1ccccc1)c1c(Br)c(Br)cc(Br)c1Br 2141477587 SACFQYPWSUWWQE-NSHDSACASA-N 532.295 7.259 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141804170 WBISMFGUTHFMJW-IBCQBUCCSA-N 537.937 6.534 50 10 KKGE Fc1cccc(F)c1C[C@@H](Br)c1ccc(Br)cc1I 2142278740 HIOGFSYGRLIVFF-LLVKDONJSA-N 501.934 6.011 50 10 KKGE CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/NC(=O)COc1ccc(Cl)cc1 2185889463 TZSZJXDFKNYANL-IXIKMPHGSA-N 522.432 5.728 50 10 KKGE CC1(C)CC([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC(C)(C)C1 2193418976 HABBIOPKWAGCCK-LLVKDONJSA-N 507.557 8.168 50 10 KKGE FC(F)c1cscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396965 CNCLFNALBKGODN-VIFPVBQESA-N 618.755 8.220 50 10 KKGE Clc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206405820 QVRLJEUGNKJQHN-CYBMUJFWSA-N 587.158 8.372 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cnn(C)c2I)c(C)c1Br 2227353358 SQSKSOQBIDOEEY-LBPRGKRZSA-N 518.418 5.495 50 10 KKGE Cc1sc([C@H](Br)c2scc(C(F)(F)F)c2Br)c(Br)c1C 2237630655 YQSGGFCTULVVAT-SECBINFHSA-N 513.036 7.455 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(Br)cc2I)sc1Br 2255978162 HJAQVIGVKXLSLV-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2cccs2)NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1 2295176440 NDEMEVJEOALOLR-UHFFFAOYSA-N 604.482 5.660 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2296500302 CAQJZFQDUXGRQX-UHFFFAOYSA-N 527.558 6.614 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C(=O)OCC)cc3)C(=O)N2c2ccccc2)cc1 2296506991 OFVAYDRHGRBURF-NDEPHWFRSA-N 553.684 6.271 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(I)cc(C)c2O)cc1 2297104909 LRQJCKIBNREKQO-UHFFFAOYSA-N 596.469 5.073 50 10 KKGE Fc1cccc([C@H](Br)c2sc(Cl)cc2I)c1Br 2300953801 OIBCUZKKSVTBPV-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cc(I)ccc2Br)c1 2314451744 HNMYGHVVWFUJBE-HXUWFJFHSA-N 636.947 7.880 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 2314475711 AXOBYQYLEXRBCY-DNQXCXABSA-N 611.724 5.282 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 2314634724 CZGUKHGOSHHKIH-XIFFEERXSA-N 566.698 7.399 50 10 KKGE N#CC(=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 2331030624 QPASOWFAYOSIHT-SSEXGKCCSA-N 524.045 7.034 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cccc(OC)c3OCc3ccccc3Cl)nc(O)c2cc1OC 2331042447 AWIXBDNTKOWZPU-UHFFFAOYSA-N 503.942 5.658 50 10 KKGE CCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 2331432564 IZTFFAVOQKCCFH-UHFFFAOYSA-N 500.374 6.342 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331491818 OUXDNEOWTKTSHN-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336082721 COWLBEGFUATAIA-FQEVSTJZSA-N 519.035 7.911 50 10 KKGE FC1(F)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)CC1 2349807552 IIZXTNGEUGCGGA-WDEREUQCSA-N 507.982 6.185 50 10 KKGE CC(C)(C)[C@@H]1CC[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2369056424 PWKIQQUNUCPPMO-SXMVTHIZSA-N 596.821 8.245 50 10 KKGE CC1(C)CCC[C@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2377330543 FJXSVXKRAQXDIT-QGZVFWFLSA-N 514.083 6.968 50 10 KKGE CC1(C)[C@H](Br)[C@@](C)(Br)c2cc(Br)ccc2N1Cc1ccccc1 59500811 RXSOYNGXCLSJBR-HKUYNNGSSA-N 502.088 6.622 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCCCCCCCCCCCC 72399998 FSIDKIWIEOGHHZ-ABRBOSAFSA-N 639.446 12.755 50 10 KKGE in-vitro COc1cc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(C)cc2)C(=O)CCl)ccc1OC(C)C 97914669 VTNSPYYSOJNNMG-MHZLTWQESA-N 501.067 5.548 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100177818 ZYIGPWJQXISPRV-MRXNPFEDSA-N 572.887 5.881 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Br)c1OCc1ccccc1 100336794 UDHJGTCIWHSHBW-NDENLUEZSA-N 547.434 6.205 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101336729 WKMQVBMXQAHAQV-QDCCHXAWSA-N 530.584 5.557 50 10 KKGE COc1cc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101338319 PSBQDRVBIGISNL-ZVHZXABRSA-N 547.438 6.416 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCC(C)C 101374306 YLVWSPXGPDJABU-WRHNGFHOSA-N 532.568 5.460 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCC(C)C 101374408 ZYFMJWSZZHGMEQ-BGOLNKOXSA-N 556.659 6.444 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379417 KAJYZSVOFBUXCD-HKBQPEDESA-N 553.014 6.294 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384842 SVORKQQHHGOOPK-VPTFNQTCSA-N 605.449 7.303 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387943 VOKDWCUAVOEMIH-BHVANESWSA-N 604.703 7.299 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388459 NFPNUDDWADSWRQ-MGBGTMOVSA-N 597.067 6.829 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(F)cc2)c(OCC)c1 101389707 AIWMOYLVGUSZDD-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101389918 BDJQTGDDCYGAKF-NRFANRHFSA-N 541.843 7.607 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)oc2cc(Br)ccc12 101391741 ZIWRYCLOGHIGFJ-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc([N+](=O)[O-])c2)oc2ccc(Br)cc12 101391823 MBFLGXQHURGDTE-HSZRJFAPSA-N 546.333 5.849 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613674 DZWTXQKAJRIBTJ-KPITYXSVSA-N 565.629 7.483 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614824 AVGZJGKAMDPREV-ZSNJKBEMSA-N 583.504 6.420 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C(C)C)ccc1OCc1c(Cl)cccc1Cl 101766463 OIODPMWIFQELSI-VVEOGCPPSA-N 580.306 6.996 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)[C@H](CCl)C(O)(O)C(=O)CCCCCCCCCCCCCCC 103632726 LSYRUNGUYFTWDJ-UMSFTDKQSA-N 615.424 11.403 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCc1ccccc1F 150443385 BPQFFRXCTPAIBM-SSEXGKCCSA-N 627.093 8.109 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 150462880 YYBGTKWJPUPYGO-XKLDMDDMSA-N 646.769 5.943 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 150497326 LQSWBLVKNCMGBL-KCSSXMTESA-N 638.655 6.779 50 10 KKGE O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3C2=O)cc1 164242541 OJUKJLFOKUPVPA-UHFFFAOYSA-N 785.677 7.198 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 164607013 RGQRZYREKIYCGC-ODNPBWNPSA-N 769.275 8.925 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NC1CCCCCCCCCCC1 217259536 KTZMTXBSOLHGMZ-IKPAITLHSA-N 512.742 6.591 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 232344393 HLTCUUUMVTYBMW-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)c(Br)c1 234972091 XHMWOEDNYHBTIX-LLVKDONJSA-N 519.878 6.529 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1OC 234976055 FNOPHLUEURZUIE-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(I)c1 236170322 ULCYAJOUCCJCDS-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c(Br)c1 252610305 HZZLQJDHXQYXTN-UHFFFAOYSA-N 532.232 5.628 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@H]2O[C@H]2[C@]2(C)[C@H]4[C@@H](C[C@H]32)O[C@]2(OC[C@@H](C)C[C@@H]2Br)[C@@H]4C)C1 254578736 IRGXIYGEVPSGHA-JESBAXBCSA-N 551.562 5.725 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)[C@H]2Br 261366761 MDJHNKHKZSNQDM-LKTVYLICSA-N 515.471 5.359 50 10 KKGE CC[C@H](CBr)COc1c(I)cc(Cl)cc1I 380478463 PQIXZCCMENJNFR-SSDOTTSWSA-N 529.381 5.349 50 10 KKGE CCOc1cc(Cl)c([C@@H](Br)c2scc(Br)c2Br)cc1Cl 705463011 IWNMCBRGRFHSAU-LLVKDONJSA-N 523.899 7.463 50 10 KKGE O=C(NC1(CBr)CCCCCC1)c1ccc(I)c(Br)c1 721592878 HSFFNTLDJLNMMD-UHFFFAOYSA-N 515.027 5.271 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083817644 WUUPISRMPWBNRI-CEKHALKXSA-N 744.913 6.611 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1083902677 GRASRXHGBIWRIJ-XMMPIXPASA-N 619.143 5.250 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc2ccccc12 1083911045 ZNDOZZKNNRUEFE-UQRQXUALSA-N 557.694 6.802 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 1083919570 ZKWCQNSUFGASNM-UHFFFAOYSA-N 574.637 7.103 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084311878 DHMCBSFNYGCUGY-UHFFFAOYSA-N 639.572 5.528 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccccc2)c(I)c1)c1cccc(Br)c1 1084508782 CRFULNKWHDPMJU-UHFFFAOYSA-N 661.075 6.001 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@@H](CI)C1 1614613981 HRGBPYRSQFQDDA-FUHWJXTLSA-N 505.274 5.372 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)Cc1ccccc1)CCC2 1772748707 CSTIPSHOJVYWFI-UHFFFAOYSA-N 532.394 5.517 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc(Br)c1O 1865688757 ZYZOWYWSFGLHQU-QGZVFWFLSA-N 553.310 5.174 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1 1865690131 JJQQRNTWLDNRDN-OAQYLSRUSA-N 516.951 6.391 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865690405 QMOKHPQPSWCHRA-OAQYLSRUSA-N 534.941 6.530 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865693818 MACORUPPALYGCH-HHHXNRCGSA-N 506.606 6.156 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)c1 1865694454 VOQUUONMYDKNOT-LJAQVGFWSA-N 528.612 6.708 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696230 CTQGNAASPCEPFV-WJOKGBTCSA-N 548.687 6.431 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696481 NSSKRBYCAWVDPK-QHCPKHFHSA-N 577.410 5.441 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696784 KJRHHIGJRWWDBS-MUUNZHRXSA-N 541.051 6.326 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)cc(Br)c1O 1865701363 UBCMBSQXDMVXIF-LBPRGKRZSA-N 536.146 5.007 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865702608 BYWGEUWUHFBNRZ-AREMUKBSSA-N 551.861 6.997 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865703481 WOEJBYJRYMPVPE-MHZLTWQESA-N 514.988 6.138 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703544 AUAJWGBYDXHPQV-MUUNZHRXSA-N 525.052 6.561 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1865706150 OZIKJSHMKFJBIW-JOCHJYFZSA-N 518.360 6.032 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707348 UZSQBLMBSJTTMF-DEOSSOPVSA-N 549.414 6.090 50 10 KKGE CC(C)C[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199147 WZVVIYMGISPCKL-UIOOFZCWSA-N 568.512 6.657 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(C)(C)c3ccccc3[C@H]2c2ccccc2)n1 1868231339 CZVAJSVOPOFRSA-GDLZYMKVSA-N 505.691 7.804 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2Cc3cc(OC)c(OC)cc3C3(CCCCC3)C2)n1 1868388549 JSHAUCXBUOGMGC-UHFFFAOYSA-N 529.710 6.985 50 10 KKGE CC(C)[C@H]1c2[nH]cnc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868415522 XVRHVTNKSMJFRW-VWLOTQADSA-N 502.047 6.597 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](c4ccccc4)Cc4ccccc43)n2)c1 1868505952 OHRRXAGQSKAYQV-AREMUKBSSA-N 541.680 7.947 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1 1872780815 MVGNWOLJNLUPJL-VFCFBJKWSA-N 508.687 8.237 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1OCCC 1872790061 IHHDANSVSFLUOZ-NLRVBDNBSA-N 510.659 8.031 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)n1 1873920560 IOCCATZRQDKMAQ-GKYQZKGUSA-N 505.621 5.338 50 10 KKGE Cc1cccc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)c1I 1915297623 JHTDIFIAVGJIJT-SFHVURJKSA-N 500.218 5.662 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)cc2Br)c1Br 1922889467 WSRPBLPOVOCOTO-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE O=S1(=O)CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Cl 1923054248 CIGCGRPJUOKQIN-IYSWYEEDSA-N 501.487 5.330 50 10 KKGE Brc1cccc([C@H](CI)OCCOCCOCc2ccccc2)c1 2007814905 ZZKWSWFTGFANPX-IBGZPJMESA-N 505.190 5.175 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1I 2053623230 NAAUAPGBVZFYRI-UHFFFAOYSA-N 638.097 6.941 50 10 KKGE CC1(C)C[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501255 XHXCJGQZTLILHN-RQJHMYQMSA-N 568.767 7.609 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1cc(Br)ccc1I 2117891844 AYDTUZOYQQADDJ-SNVBAGLBSA-N 550.016 5.167 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CC[C@H]3C[C@@H]23)c1Br 2141472026 ZAZLLKYXRAXQDO-RBXMUDONSA-N 580.778 7.609 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@H]1Oc1c(I)cc(Cl)cc1I 2165550920 GOTHUZZOSFJLRN-ZWKOPEQDSA-N 540.994 5.349 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(F)c2I)c1Br 2201065003 MLGTZEYNLJZFMY-AWEZNQCLSA-N 576.867 7.056 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@@H]2CC[C@H](C1)O2 2206396585 YPLXCIJALQHVIO-LWRLUMBMSA-N 552.326 6.974 50 10 KKGE Oc1nc2ccc([C@H](Br)c3ccc(Br)cc3I)cc2[nH]1 2207272483 OAZORIAZODATCC-ZDUSSCGKSA-N 507.951 5.120 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)cc2Br)c(Br)c1C 2221833895 CRYWEZHMZCVREI-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2cc(Br)ccc2Br)c1 2224056006 TUTCEFFXGFASRJ-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE Clc1cc(Br)c([C@H](Br)Cc2ccccc2I)c(Cl)c1Cl 2232521548 UPUMCJIVJPUZAV-MRVPVSSYSA-N 569.289 7.693 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(Br)cc2I)cc1C 2236012166 UEZVHROWCVSZPB-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Clc1cccc([C@H](Br)c2sc(Br)cc2Br)c1Br 2248095731 GLNCGCUQXOIWJE-JTQLQIEISA-N 524.297 7.173 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(I)sn1 2269597065 AKKQZEKJDZNMDJ-CYBMUJFWSA-N 517.024 5.620 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cccc(I)c1 2272722403 SMURXGLBOPOJAD-LBPRGKRZSA-N 522.352 6.423 50 10 KKGE CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(c2ccccc2)=C(C#N)C1=O 2295841140 SGWQNGDDJDXSCM-UHFFFAOYSA-N 562.629 6.478 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 2313521498 SEJLXTSJFZTQAV-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE Cc1ccc(COc2ccc(C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1 2313567446 HNBQPYNFCKYOEF-UHFFFAOYSA-N 508.359 6.033 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1Cl 2313571218 QAYAYNUGHYSEBC-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 2313631060 JQBXENUEAIHGDF-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1 2314478765 VCKVCXPQCHDILL-UHFFFAOYSA-N 513.688 7.078 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314618427 NKNYSOBDCRJINI-UHFFFAOYSA-N 543.627 5.762 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314620846 VWPOZNORPBCGNW-UHFFFAOYSA-N 586.648 5.582 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314640660 IPEFZRIRWROCSI-AREMUKBSSA-N 507.373 6.229 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643435 XYVBYMKCYOEPJB-UMSFTDKQSA-N 576.624 6.949 50 10 KKGE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646948 WAONGLGTIFMVPI-LJAQVGFWSA-N 632.742 5.491 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)ccc1F 2331320434 MXDCQYBPZNKAQQ-UHFFFAOYSA-N 519.601 7.717 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336083548 KUAUGCJKQDLTEP-LJQANCHMSA-N 559.523 8.123 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(Br)c1Br 2360481960 RXZUTZYSWSMOLS-LLVKDONJSA-N 570.703 7.904 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(Br)c1Cl 2364050435 GLGAZNLHKGUADY-MRVPVSSYSA-N 552.286 5.854 50 10 KKGE Cc1ccc([C@H](CI)OCc2ccc(I)c(Br)c2)cc1 2377622133 OBYMUBUHLXBIGB-INIZCTEOSA-N 557.007 6.055 50 10 KKGE Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(Br)c1 1815177 QXMHTZPEJADTFU-UVTDQMKNSA-N 543.240 6.727 50 10 KKGE CCOc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2322514 KSNZDNXMLBNALV-BSSRNLCFSA-N 504.011 5.804 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 17299742 CGNSEAQTOVFZOF-UHFFFAOYSA-N 507.546 5.321 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1OCC 38684021 XTCMIOSTEWNENS-HHHXNRCGSA-N 502.542 5.841 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1 38701307 PKZDHTVTRJYZKF-VSGBNLITSA-N 512.562 5.219 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C(C)=O)c1C 97477320 PGMPPCJHJNXEBI-UKTHLTGXSA-N 506.436 6.843 50 10 KKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c3ccc(OC(F)F)c(OC)c3)c2C)cc1 97654706 WTJQTVSAUGUJBJ-BKUYFWCQSA-N 524.520 5.436 50 10 KKGE CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1 100190905 ABEMJLINXBGSPN-KRWDZBQOSA-N 550.519 5.102 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 100327909 JRYZTBCDWGLYHB-WUKQQSQZSA-N 594.449 5.996 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc(I)cc2)cs1 101033954 POCVMUPJDHIEBA-LFIBNONCSA-N 525.327 6.647 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 101034053 HLWOGVBPCFADBS-SFQUDFHCSA-N 527.333 7.411 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246425 NSTRNVHQNFRPTM-KHEHCGDESA-N 525.674 6.446 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 101337110 BNLGQGWPBNYKHP-YYYGAUAXSA-N 538.673 5.813 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101339405 FOCSVRQONIRUQR-JVWAILMASA-N 529.556 5.548 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OC 101372131 UDYXRRNTHBNWHD-GBONIBKWSA-N 559.062 7.145 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)(C)C)cc5)ccc43)cc2)cc1 101378798 CEYGSJPKXYSYNI-UUWRZZSWSA-N 574.677 7.074 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)ccc1OCc1ccccc1Cl 101385594 GFDNENSRQSQSGJ-HKBQPEDESA-N 569.013 6.130 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101397525 HTWGIIUEZLOLKQ-NDEPHWFRSA-N 599.495 8.224 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405865 KOUOAVIBPSSHAP-WVGJAKOGSA-N 618.715 5.245 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611776 JSWDTWXDTVKNFE-NDZAJKAJSA-N 534.827 5.714 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611950 UIQSZUSNTJIBQA-NDZAJKAJSA-N 534.827 6.345 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 104954060 ZLSSCPPMEGNRFC-PXNMLYILSA-N 522.215 7.433 50 10 KKGE N#CC(C#N)=C/C=C(/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Br)cc1 108735328 PJXLKUXNGSKXMQ-WUXMJOGZSA-N 506.039 7.564 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)s2)c(C)cc1Br 128873238 PCSCCTDYIRXOBO-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)c1 141971079 DLCIDEXGEOCJDA-UHFFFAOYSA-N 510.617 8.357 50 10 KKGE C[C@H](O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195754046 KFUWLVZCEDFJIK-JZCBMXGBSA-N 553.065 9.080 50 10 KKGE O=P(c1ccccc1)(c1ccccc1)[C@H]1OB(c2ccc(B3Oc4ccccc4[C@@H](P(=O)(c4ccccc4)c4ccccc4)O3)cc2)Oc2ccccc21 195786539 FOMOARGIJBIDAN-NDOUMJCMSA-N 742.322 7.321 50 10 KKGE CC(=O)N[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 195791274 RAXPVCSDMAMRLJ-WBADGQHESA-N 584.140 5.854 50 10 KKGE C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)[C@H]12 196073628 HQFAANWJGOPRIZ-XCQPVXNCSA-N 708.777 8.019 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OC 205650172 SRSMXIKLDFNKRA-KKSJTPTLSA-N 510.590 6.020 50 10 KKGE Cc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 205664517 VGKINCKQQYXJHM-YTAXLFSRSA-N 532.571 6.550 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCCC)cc2)cc1OC 207110669 ZVUBYKMQHVTYMD-MWCDFZFDSA-N 504.627 6.096 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2Br)cc1Br 235823933 JJHHNNVVMFTVGO-CQSZACIVSA-N 532.295 7.373 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 238791197 KSODKMGBMXAOIR-VDXPIPGDSA-N 783.010 7.104 50 10 KKGE CCCCC[C@@H](/C=C\[C@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1Cc1cccc(O[Si](C)(C)C(C)(C)C)c1)O[C@H]1CCCCO1 253532931 GGIODFRWUKSMTA-YFGNNAKHSA-N 614.940 8.778 50 10 KKGE CC1=C(C#N)c2nc3ccccc3n2[C@H](O)/C1=C/Nc1ccc(-c2ccc(N/C=C3\C(C)=C(C#N)c4nc5ccccc5n4[C@@H]3O)cc2)cc1 254634021 SLFVAYAXFQWWPL-ZWRKJJMCSA-N 654.734 7.648 50 10 KKGE CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)C(C)C)cc3)c3cccc(Cl)c3n2)cc1 254764457 VBJZJKHOAJYIPY-UHFFFAOYSA-N 513.041 6.866 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2cc(Br)ccc2I)C1 382714318 JDMWYVDDTKRKNN-PBHICJAKSA-N 579.070 5.801 50 10 KKGE C=CCOC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 725432148 MFAQUWFCFIPYES-ZWXJPIIXSA-N 747.802 5.952 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C=O)=C[C@@](C)(COS(C)(=O)=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105692 ZFWBJRWGTSAKBN-SSWBUFBLSA-N 560.797 6.118 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 1081096531 UYZFYLOQUJLGJA-UHFFFAOYSA-N 521.016 7.415 50 10 KKGE C=CCOc1c(I)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1I 1083906990 ZSJSYHQTYONFOZ-UHFFFAOYSA-N 651.036 5.733 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084041571 YUTRHHICGOZAGB-UHFFFAOYSA-N 565.102 6.869 50 10 KKGE O=C(CSCc1ccccc1Br)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1084093006 DDYVCTKWCMKPHX-UHFFFAOYSA-N 503.849 6.065 50 10 KKGE CCOc1cc(C=NNC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 1084145503 RGMFILJZODXCEH-UHFFFAOYSA-N 514.409 5.677 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1)S(C)(=O)=O 1084249349 XUDUZBSWDLZSIZ-UHFFFAOYSA-N 679.804 5.922 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)[C@H](O)c1ccccc1 1084359505 HPESHWOQLYPNSY-XMMPIXPASA-N 554.609 5.025 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1084552228 GJDOXIIFMZSIRW-UHFFFAOYSA-N 606.148 5.090 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CSCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084609350 PCEMAGPIUBOERM-FSGGQHMVSA-N 527.690 6.304 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccc(C)cc2)cc1 1084622493 PRSKNFPSRRGWRU-UHFFFAOYSA-N 625.614 6.233 50 10 KKGE O=C(NN=C1c2ccccc2C[C@@H]1NC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1088674928 IURQQVRYJJESLV-FQEVSTJZSA-N 502.880 5.119 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1565518946 SMQJOWQADAZNNT-RYFGYPJOSA-N 574.302 7.518 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614636072 NTYRBWNPHLRYMC-PBHICJAKSA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749205 RKAXDNKGVHQQPU-UHFFFAOYSA-N 521.573 5.558 50 10 KKGE Cc1c(C(=O)NNC(=O)c2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749248 YTVBPVWWGINHFZ-UHFFFAOYSA-N 533.799 5.093 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc(Cl)c5C)c(C)c43)coc2c1 1772751525 FDABCQVNQARSIY-UHFFFAOYSA-N 518.013 6.564 50 10 KKGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1772755295 ZRVBGADNACMYOA-UHFFFAOYSA-N 568.946 6.656 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688593 VZKKHDGPJSCYKR-HXUWFJFHSA-N 564.267 6.217 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692520 MTIAYCCWRJTGKS-QGZVFWFLSA-N 511.287 5.433 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694126 QCEJZSNVGUVKSX-LJAQVGFWSA-N 538.623 6.219 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 1865695290 NFSANPSPMRCAKX-PMERELPUSA-N 520.633 5.971 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc(Br)c1OC(C)C 1865696990 MNQSIBMEIMELPU-JOCHJYFZSA-N 543.849 5.670 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865697821 CKDMVDUVJKVKCB-QHCPKHFHSA-N 537.458 5.660 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704264 RLRWFDJZBDOTAJ-PMERELPUSA-N 547.058 7.429 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704295 SABBELWWPXSOMY-SANMLTNESA-N 531.443 6.929 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)c1OCc1cccc(C)c1 1865704872 GRZWFXYBTIELJI-PMERELPUSA-N 572.640 6.852 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(Cl)c1O 1865707456 XGRRMDYFKAORDU-RUZDIDTESA-N 520.976 6.278 50 10 KKGE CCCC[C@@H](NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867087684 ORPJABCKAAKATC-HSZRJFAPSA-N 525.675 5.096 50 10 KKGE COc1cccc([C@H](C)CC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)c1 1867098080 XEMKPXXDDJZNJP-WINIVTDRSA-N 531.634 5.053 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](C(=O)CCCc4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207087 FSVCVIYWHCJXSC-MHZLTWQESA-N 547.728 7.193 50 10 KKGE C[C@@H](c1cccs1)N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868414728 POHQORVLZQLLBP-IBGZPJMESA-N 533.126 7.058 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)CCCC5)cs3)CC2=O)cc1 1872745571 UCJSVCMEGXSRLQ-GEHZHUCRSA-N 513.619 5.711 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)n2)c(OCC)c1 1872755265 GFPWRSWNGVVKES-NOAXNCOGSA-N 517.607 5.952 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1OCc1ccccc1Cl 1873793315 IOGGVJOWXIGOQF-KQBIVOJMSA-N 502.011 5.167 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)cc2I)c1Br 1922884716 GADSUNILFABQHC-SNVBAGLBSA-N 568.869 6.810 50 10 KKGE Brc1ccc2cc([C@H](Br)c3sc(Br)cc3Br)ccc2c1 1922890669 FTWFONVJCJWJCY-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2ccccc2I)c1Br 1922933138 SHMQFOQTAGEZDO-SNVBAGLBSA-N 506.428 6.514 50 10 KKGE COc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924601485 XWIRRBYGZMPEFB-JTQLQIEISA-N 554.323 7.135 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924601717 ZEUAAPHVAXWGPO-SECBINFHSA-N 598.774 7.291 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@H](O)CCl)c1I 1951626445 WDDHPEUYZAQXRL-MRVPVSSYSA-N 649.432 5.120 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085492593 NZXGYGVZUBUZEY-LLVKDONJSA-N 558.742 7.780 50 10 KKGE C[C@@H]([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085495173 IGHXXIMVFPYAJX-MFXDVPHUSA-N 548.316 5.450 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3COC[C@H]32)c1Br 2085497199 ZFXUXIYWTZYEEC-UMAXCYLZSA-N 568.723 6.065 50 10 KKGE Cc1cc(F)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1I 2137070489 KASCXJXYQMKKPZ-CQSZACIVSA-N 518.389 6.639 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1C 2141469915 CWEOZYWCDOHBST-ZDUSSCGKSA-N 596.802 7.899 50 10 KKGE Cn1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2141470888 LSLNGVSHTBEZSC-SNVBAGLBSA-N 645.607 6.717 50 10 KKGE Cl[C@H](CC1CCCCC1)c1c(Br)c(Br)cc(Br)c1Br 2141476453 AVRNNOFUXQRUNS-LLVKDONJSA-N 538.343 7.987 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)Cc1ccccc1I 2143867673 FVTUDPHRWDVJIH-AWEZNQCLSA-N 510.007 6.131 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(C(F)(F)F)c(CBr)c1 2181261421 RJWJCXBNXIPDFZ-UHFFFAOYSA-N 570.916 5.304 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Cl)cc(Br)c2)c1Br 2201070926 OPADQTISOUTMLO-OAHLLOKOSA-N 546.322 7.729 50 10 KKGE Cc1cc(Br)c(CBr)c(Oc2ccc(Cl)c(Cl)c2Br)c1 2206354907 SAJUWTZUNYTEKJ-UHFFFAOYSA-N 503.843 7.514 50 10 KKGE Cc1ccc(Cl)cc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405036 FAHSQADCNDHUJU-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Cc1oc(C)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206406336 YFNMPSWUOHPYNK-AWEZNQCLSA-N 550.310 7.583 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1I 2232839105 PJNAHDHNLGEJJP-GFCCVEGCSA-N 569.289 7.807 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1CCN(Cc2ccccc2)CC1 2234061020 OLTZPIOIZUOPDN-AWEZNQCLSA-N 511.689 6.698 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2sc(C)c(Br)c2C)c1Br 2234465024 SMMUKCSAPXVKBJ-AWEZNQCLSA-N 501.509 7.597 50 10 KKGE Fc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c(Cl)cc1Br 2267748339 HCULFADMZHEBJI-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)c(Cl)s1 2272839279 DUBSAAGNGZWHLK-QMMMGPOBSA-N 515.826 7.342 50 10 KKGE FC1(F)CC[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2277735074 RGWGJJLGOZVDTJ-ANLVUFKYSA-N 590.720 7.608 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288355674 PYXDXXYYVMFPJP-GFCCVEGCSA-N 580.830 6.887 50 10 KKGE C[C@@H](CCCCCI)NC(=O)Cc1cc(Br)cc(Br)c1 2295310696 ACXWJWSOPXPQJX-NSHDSACASA-N 517.043 5.254 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2296515863 VUNSKLXNHPLZTO-XUOYREJCSA-N 641.142 11.582 50 10 KKGE CCOc1cc(Br)cc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)c1O 2297322508 RONGWWOCQJLVJF-UHFFFAOYSA-N 534.410 5.031 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458573 DVXZWAZNHXJXBL-HSZRJFAPSA-N 542.875 6.389 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 2297462421 XBDIGIHTWSOLNI-UHFFFAOYSA-N 527.631 5.884 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Cl)cc2I)c1I 2301084873 YMPKSVJXDKLHTK-JTQLQIEISA-N 553.428 6.403 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccccc1F 2313571335 SVGLSAYIVZJVAA-UHFFFAOYSA-N 525.407 7.384 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593469 NJVQZDVZMZJVME-QFIPXVFZSA-N 542.444 5.728 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314640631 FRPXGGZIIAFASQ-WJOKGBTCSA-N 577.508 8.180 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 2314753153 BQEUUOJUJWJSDM-UHFFFAOYSA-N 548.551 5.186 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)c(OC)c1 2314789617 ORUYTJBTLMIVIT-UHFFFAOYSA-N 543.458 5.697 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2coc(Br)c2)c1Br 2315437894 ZCQRFOHYEXGZTE-VIFPVBQESA-N 526.219 6.844 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cccc(Cl)c2Cl)CC1 2317189677 KCUZGCQETXFQHM-UHFFFAOYSA-N 500.204 5.715 50 10 KKGE FC1(F)CCC[C@@H]2[C@@H]([C@@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2330159996 GNRKRJMZABAKGS-SJNFNFGESA-N 543.891 7.153 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)c(OCC)c1 2331386594 QIESTBJYZJSMFK-UHFFFAOYSA-N 508.640 6.785 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)CC1=O 2331390446 MGNHYWZLEZZGCQ-SFHVURJKSA-N 508.043 6.497 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)c2ccccc2)cc1OC 2331402124 RFOOUIJQLOTSQU-UHFFFAOYSA-N 507.036 7.576 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2364234648 KWDOWZGMEKSQDM-VIFPVBQESA-N 680.052 7.323 50 10 KKGE O=C(N/N=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 4470511 JBVMERGBKDABBS-LJUMEUDFSA-N 532.383 6.229 50 10 KKGE C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 14642279 SWDFHRYOZDJHJX-GOSISDBHSA-N 519.395 5.263 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 32520852 MWQKMECLELMTJS-KKMKTNMSSA-N 515.422 5.700 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 33748298 DZGMYWNURISDBJ-ITYLOYPMSA-N 520.585 6.540 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)cc1OCC 38684325 OVYYRCVKWDUYMS-PMERELPUSA-N 512.606 6.021 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)c1 38684476 JXLYLSHQNOEOEB-MHZLTWQESA-N 504.970 5.640 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(C)c5)ccc43)cc2)cc1 38686242 GJRSQSGBMHQNLW-SSEXGKCCSA-N 502.570 6.320 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)c1OC 38688642 GIJVJENYPROWHB-XMMPIXPASA-N 516.937 5.849 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813461 HCIBCPPNPJRCCI-TURZUDJPSA-N 506.946 5.213 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 58889823 NEPIYITXBAYXJS-HVXFLFEHSA-N 521.828 6.198 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1-c1cccc(I)c1 97353794 DAGZRHXAVLILCR-VIFPVBQESA-N 508.528 5.535 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 100237638 QXVFEEBSSZJGAM-ZSYYNXLFSA-N 583.426 5.104 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)cc1 100237777 DNOBVWMIPZSXNT-PEHSQKLVSA-N 602.469 5.550 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244178 WAYXTLUPEJHMNR-ZFKOOEFLSA-N 516.066 6.261 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101361827 GNOBZMWLFSQSRM-SANMLTNESA-N 535.394 5.440 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101362339 LWMJMRIWTAEXFG-SSEXGKCCSA-N 538.987 6.122 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc(C)c1Cl 101365297 DYERXCWGLINXNA-DEOSSOPVSA-N 529.807 6.466 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367238 JWPSODSYBLRVOB-YTTGMZPUSA-N 560.650 7.009 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 101375480 DGHBUHFELKJZQU-DHUJRADRSA-N 576.693 7.564 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101378314 IVXUYZPXVWQPCN-MHZLTWQESA-N 567.469 7.398 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)ccc21 101378368 NXFOTVBYHRNFHQ-JPZYQRIQSA-N 540.660 6.970 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380197 FJDJXPQUDZEDNB-SSEXGKCCSA-N 601.428 6.370 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382636 MWHKKNLEVWZRFT-MUUNZHRXSA-N 587.857 7.119 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 101384920 AVTSHXJDBOVLNI-JGCGQSQUSA-N 601.486 7.392 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386250 OOPHGVIERZCAEM-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610039 DBKLUGJNZVDHCF-YQCHCMBFSA-N 535.600 5.616 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614751 GLRSCCSJBLBHNK-KLPHOBTLSA-N 548.242 6.137 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 102006850 CVLXIRKVZWJZLS-XODNFHPESA-N 529.449 6.090 50 10 KKGE CCOc1cc(/C=N/NC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)ccc1OCc1cccc(Cl)c1 103748804 GKYYZMJBRWIGPK-DPNNOFEESA-N 592.117 5.486 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OCC 103879074 ZCBQSRNSUNABOU-QXUDOOCXSA-N 600.513 6.650 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1 104988918 SOJNIIRROVLDMJ-AVWHMIGUSA-N 532.482 5.861 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 105448631 VMUHBYCJKKNRKT-YZSQISJMSA-N 520.424 6.346 50 10 KKGE Nc1ccccc1NC(=O)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 110062589 AZRVGFQAHNNNSF-HEFFKOSUSA-O 618.697 7.000 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)c(Br)s2)cc(OC)c1OC 128292436 YUYZWDYCYZVNBH-LBPRGKRZSA-N 501.034 5.783 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1 150382791 OPQZCDFKUMXYPC-OADPBGPJSA-N 637.268 5.295 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 150497308 FEFFRPJXVZEFMW-UZWMFBFFSA-N 634.664 5.429 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 163420319 ZYYVYCGZUDIRQN-QCFMCPCVSA-N 637.562 8.025 50 10 KKGE C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 195877472 XPWGOKRSLJTZLR-HAROIHRISA-N 838.518 13.783 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COC(C2CCCCC2)(C2CCCCC2)C2CCCCC2)O[C@H]1N1CCC(=O)NC1=O 204906775 NXFLDYPAAWUSED-CFNXAKABSA-N 620.948 6.901 50 10 KKGE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 211918068 CNCQTLFRXLARRG-CPNJWEJPSA-N 567.158 5.617 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 214313384 CSYBEGIFRHTSLF-MIXAMLLLSA-N 543.627 5.906 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214363793 OLVWRMHTXCCTIN-MIXAMLLLSA-N 548.687 6.808 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214435369 PCSKWRXHQUPMQI-GMEAVFFOSA-N 666.734 6.443 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 234807205 UOKTYPXVGAKRKN-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE COc1c(Br)c([C@H]2ON=C(C(=O)NN=Cc3ccc(C(C)(C)C)cc3)[C@@H]2C)c(Br)c2c1OCO2 254484622 VAGIKPSHXOMLKQ-BUXKBTBVSA-N 595.288 5.460 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c4ccccc4cc4ccccc34)n2-c2ccc(OC)cc2)cc1 254625288 OPRHWJVPKPPEIF-UHFFFAOYSA-N 573.678 6.500 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 254791002 HTPAPYLISMVOKY-UHFFFAOYSA-N 587.894 8.268 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254838210 ICMXRFCZDDWQTA-VJRBPLHPSA-N 540.667 6.760 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254893822 DVFQQEVZWQVTKZ-UHFFFAOYSA-N 528.638 5.691 50 10 KKGE Cc1ccc(COc2c(Br)cc(Br)cc2CBr)cc1Br 313690548 XOERDCWDYFDFHY-UHFFFAOYSA-N 527.876 6.756 50 10 KKGE Brc1cccc(C[C@H](Br)c2scc(Br)c2Br)c1 705500882 HSROMBSOJNGARR-VIFPVBQESA-N 503.879 6.714 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Br)c3ccc(I)cc3)c2O1 720054228 UBSJXNFZOMJRSX-VFZGTOFNSA-N 507.991 5.861 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(F)c1I 721690092 CMUDRMZWMOKZPF-LBPRGKRZSA-N 522.352 6.470 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 725402511 WGSHBNBEUZDHGK-CRBXJKDESA-N 655.618 7.011 50 10 KKGE COc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1083889366 DCKINUZYPIOEBT-UHFFFAOYSA-N 522.830 6.641 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccncc4)c3C)sc3c2CCCC3)cc1 1083999070 XVCFUHPQIYWHJX-UHFFFAOYSA-N 511.651 5.754 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084038838 HSGRJMKXAREFEI-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084067723 LPVBHRSIIYONPS-UHFFFAOYSA-N 531.749 6.162 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1 1084264519 IENPZJOMWNVWEN-UHFFFAOYSA-N 586.095 7.463 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084401243 DHNUXDNCAIWCFO-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc(Cl)cc1 1084432050 AFBJYRUGUMHLDE-UHFFFAOYSA-N 552.650 6.217 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084638944 GYKNDDPGZULOSS-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc(C)c1 1084653341 BCJHGQWCJGRQRV-DEOSSOPVSA-N 572.443 5.541 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1772754895 JYYGIGBPEOVLAH-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE COc1c(C)c2c(c(O[Si](C)(C)C(C)(C)C)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)OC2 1848435766 OSEKHTMTABJUIJ-ICFJAOMQSA-N 711.010 5.700 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682067 FALDNFXCOHAGKA-QHCPKHFHSA-N 500.942 5.134 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2)cc1OC 1865693272 TZPXSUGDHGHSJE-VWLOTQADSA-N 565.512 6.442 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865693473 WFIKGAXTOVSKPJ-QFIPXVFZSA-N 541.421 5.411 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694832 CVWSMBKVQHJIPC-RUZDIDTESA-N 503.389 6.285 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695085 JKZNPWXNTNXQLA-NDEPHWFRSA-N 565.460 7.643 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695875 UNLMFVXDLOMLRN-SANMLTNESA-N 531.443 6.598 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700741 CLVPLESNJKJQMZ-SANMLTNESA-N 522.605 5.459 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701406 UXJAOSKRNLDCEX-HHHXNRCGSA-N 563.460 7.127 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865702526 WOFOWGPJFASVBW-FQEVSTJZSA-N 501.940 5.668 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(Cl)c1O 1865706766 FENRBKZVIDIJRY-JOCHJYFZSA-N 519.388 5.838 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2 1865710690 FGXWNVXZPDSOQJ-FQEVSTJZSA-N 507.343 6.428 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711403 XOLLIAOZXSELRB-QHCPKHFHSA-N 571.386 7.151 50 10 KKGE CCc1nn(CC)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711857 JMKZUBAZGLRIMZ-NDEPHWFRSA-N 506.606 5.842 50 10 KKGE CCC[C@@H](NC(=O)C[C@H](c1ccc(Cl)cc1)c1ccc(OCC)cc1)C(=O)Nc1ccc(SC#N)cc1 1867218088 CTDJDXCNFNVIMA-KAYWLYCHSA-N 536.097 6.757 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4cccc(Cl)c4)C3)nc(Cc3ccccc3)n2)cc1 1868206954 AKTDLQVIQUVJLF-VWLOTQADSA-N 514.054 6.615 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 1868301772 XJKBLXFGQLFWTN-UHFFFAOYSA-N 528.081 7.470 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)O[C@H](c4ccc(F)cc4)C3)n2)cc1 1868321301 YQQXFCGMXTVOQA-IBVKSMDESA-N 511.626 6.874 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc(-c3ccc(F)cc3)n2)cc1 1868456885 WDEJXPCDZCDFHN-DEOSSOPVSA-N 511.630 6.543 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OC 1872728790 UJOZPHAVOTVSCM-CJLVFECKSA-N 503.599 6.324 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(OCc4ccccc4Cl)cc3)n2)cc1F 1872752659 NGEJOFVKOGIKIX-ZECZUOAVSA-N 518.997 7.696 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 1872758303 UNOZBOVPRRWUBE-QTEAAIINSA-N 501.652 6.624 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)\c2ccccc2)cc1 1872758799 QSYPOBSVTNBAJX-MDISCOTOSA-N 501.007 7.514 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1 1873499491 YFYOJSGEFHPZRS-UETRGQPKSA-N 506.430 5.670 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2sccc2c1 1923047215 BEYYGKMIJJMVQA-JTQLQIEISA-N 501.490 7.626 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(I)c1 1924596181 KIKUCBZNIHXABD-QMMMGPOBSA-N 633.738 7.264 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)s1 1948823264 MCPJYZQEDOVECU-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)cs1 1981402380 VYDREONNOPFWNL-LURJTMIESA-N 530.326 7.235 50 10 KKGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=Cc1cc(I)c(OCc2ccc(F)cc2)c(OC)c1 2053623182 KDZVUCBRJVVOEB-UHFFFAOYSA-N 603.344 5.480 50 10 KKGE FC1(F)C[C@@]1(Br)COc1c(Br)cc(CBr)cc1Br 2082491789 FOVKCGXCROUOHF-SNVBAGLBSA-N 513.796 5.658 50 10 KKGE CC1(C)CC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493883 IGKTVWWLWITZAQ-QTTZVWFDSA-N 524.316 7.453 50 10 KKGE Cl[C@H](Cc1ccncc1Br)c1ccc(Br)cc1I 2086150283 YZLFPUVTASJIST-GFCCVEGCSA-N 501.387 5.734 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2COCC[C@H]21 2141468275 IPNLRYSRXLXCHC-UPVAVPFISA-N 538.299 6.299 50 10 KKGE CC1(C)CC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471269 PTPFSMFBHVBXKH-FUXBKTLASA-N 538.343 7.843 50 10 KKGE CC1CCC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141472041 ZECQMPVBIOAIKG-WZQIAMPNSA-N 582.794 7.999 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cc(Br)ccc1I 2145957233 OIZGMILBMNPCGO-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE CCc1cc([C@H](Br)c2cc(I)ccc2Br)c(F)cc1F 2175372884 DKHPWNSWMSCKAJ-OAHLLOKOSA-N 515.961 6.379 50 10 KKGE COc1cc(C)c([C@H](Br)c2cc(Br)ccc2I)cc1Br 2198736489 FKRAQEPZRLEWDZ-HNNXBMFYSA-N 574.876 6.618 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)ccc2Br)c1Br 2201071096 PTMCXKDOUASKJU-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE C[C@H]1C[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206396565 YLMKNTYUOLKTOK-JPHADGFYSA-N 554.342 7.220 50 10 KKGE CC(C)C[C@@H](C(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401238 WAVPKCADGVGGLR-TVQRCGJNSA-N 598.837 8.491 50 10 KKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1ccc(Br)cc1I 2207272188 NINHKJUUSFKRFM-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE Brc1sc(C[C@H](Br)COCc2ccccc2)c(Br)c1Br 2209348701 FOPDFWSNXWHRSJ-JTQLQIEISA-N 547.932 6.558 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(Cl)ccc2I)c(C)c1Cl 2232529151 KTTCQSVTLPCTJB-HNNXBMFYSA-N 504.420 7.306 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@H]1CCCN(Cc2ccccc2)C1 2234066391 KDMATPDSAFAZGV-INIZCTEOSA-N 511.689 6.180 50 10 KKGE COc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)cc1C 2236019734 NQXWJGGYMBFLME-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE CCc1cc([C@@H](Br)c2c(Br)cccc2Br)sc1Br 2255980658 UYRCJFXFZSCKLK-GFCCVEGCSA-N 517.906 7.082 50 10 KKGE Clc1ccc(I)c([C@H](Cl)Cc2cc(Br)cc(Br)c2)c1 2277963743 XXGHIPMSXFOFHR-CYBMUJFWSA-N 534.844 6.992 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1Cl 2288345198 PZUCNKZLTNMSBK-LLVKDONJSA-N 554.248 7.390 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619961 SVJBHDZBMDNLBL-UHFFFAOYSA-N 560.275 7.506 50 10 KKGE CC(C=CC=C(C)C=CC1=C(C)[C@H](OC(=O)CCCCCCCC(=O)Oc2cc(C)c3c(c2)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O3)CCC1(C)C)=CC=O 2294818777 ZGOPKSBMLRPLLN-RCLMGTCUSA-N 855.298 15.406 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=C(C#N)C(=O)Nc2nccs2)cc1OC 2295672352 OZPPIIJLBXGWDV-UHFFFAOYSA-N 505.987 5.271 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2295838584 AMRAQVARCSSUQD-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 2296507123 ULIDCJJXUGCFDY-QFIPXVFZSA-N 562.400 7.077 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)ccc1OCc1ccc(F)cc1 2297551441 KQMSPVQVRZEXFN-UHFFFAOYSA-N 526.318 5.630 50 10 KKGE CC[C@@](C)(C(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 2299837199 BACJRFBGWBELOP-LHLIQPBNSA-N 519.869 7.153 50 10 KKGE ClC[C@H](I)[C@@H](CCl)OCc1ccc(I)c(Br)c1 2306298888 XYRVWVYMBRWHPQ-WDEREUQCSA-N 563.826 5.220 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 2313564899 DWRVLSMQYHVRDL-UHFFFAOYSA-N 570.556 8.422 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 2313567822 LPHBWFGRSOUOIJ-UHFFFAOYSA-N 576.288 7.798 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 2314415116 XYNYCEYATJYXGO-UHFFFAOYSA-N 524.624 7.281 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593346 LLSJHNJDMIOUQT-AREMUKBSSA-N 516.066 6.206 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593359 LTEQLMKNBAVNSY-HSZRJFAPSA-N 507.999 5.074 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 2314618750 SULPGSUZKWNTQK-AREMUKBSSA-N 608.673 7.611 50 10 KKGE C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@@]23OO4 2316776162 OTIARJABKBSMJX-KRWNUXGJSA-N 650.762 5.269 50 10 KKGE CC(C)(C)OC(=O)NC[C@](C)(CI)OCCCc1cc(Cl)cc(Cl)c1 2318688492 SROOFGCIKQSNLS-SFHVURJKSA-N 502.220 5.661 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc3ccccc3c2)cs1 2331239168 RWRKRHAMHBSFHU-UHFFFAOYSA-N 517.541 6.853 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1 2331276390 PVFMCNRBDUMNLF-UHFFFAOYSA-N 516.044 5.597 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1C 2331382707 XTQMELHSMATKRI-UHFFFAOYSA-N 515.638 7.887 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)cc(OCC)c1OCC 2331398235 WKFLCJIXXICTCX-UHFFFAOYSA-N 501.004 6.618 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)c(Br)s1 2339649988 AQIFBDYBKAPAOQ-SNVBAGLBSA-N 556.314 7.574 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cn(C)c(Br)n1 2339680545 XWMMUXHHDBKLSX-SECBINFHSA-N 519.832 5.639 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2sc(Br)cc2Br)c1 2341116332 JHNJKQWAIGUMHG-SNVBAGLBSA-N 507.900 7.649 50 10 KKGE Cc1cc(Cl)ccc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362229881 MLGARDZZGFIHEW-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(F)c1I 2365189963 ZXKITDUACYPOAY-LLVKDONJSA-N 580.830 6.887 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2nc(C)sc2Br)c1Br 2365227249 CZJHGMAWOCSZKZ-SNVBAGLBSA-N 504.469 6.384 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl 14648275 CPLDIXOZLAFTDT-UHFFFAOYSA-N 518.235 5.555 50 10 KKGE CCC[C@H](Cl)CCC[C@H](Cl)CC[C@H](Cl)CC[C@H](Cl)CC[C@@H](Cl)CCC[C@H](Cl)CCC 17263623 QKUNKVYPGIOQNP-DVZKKUMJSA-N 545.334 10.912 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 32519864 WBMPOILDXXLQPO-MXAYSNPKSA-N 512.454 5.880 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)c1 38684234 OQWBEXMBJDQLBA-MUUNZHRXSA-N 514.578 5.566 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(F)cc1 38686899 WOYVICHCEWPEEM-LJAQVGFWSA-N 522.532 5.851 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 40992888 VUSKNXGDXTVZEU-DEDYPNTBSA-N 513.432 5.689 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 59304146 RWIVBRKJHLYZEQ-WCMJOSRZSA-N 523.416 7.210 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100164021 VBIPXXKPKCWILY-UHFFFAOYSA-N 615.388 5.403 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1Br 100173368 LWIJWUDJOFFKFE-UHFFFAOYSA-N 542.499 5.440 50 10 KKGE CCOc1cc(/C=N\NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 100228667 SFGQBRLUDUEOLF-RGXNXFOYSA-N 578.090 5.663 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 100883629 DETWUUNYPFJIJF-DXJNIWACSA-N 566.082 7.419 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337678 YZYXXLCJGFRQQW-TWDAMHRMSA-N 544.680 7.005 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379014 AQAMXBLGFJOZTI-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(C)cc2)c1 101382478 ACCNLGAVEUCQMI-YTTGMZPUSA-N 546.623 6.800 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385174 YUGWQZNSVRYQKU-SSEXGKCCSA-N 597.465 6.783 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1Cl 101385677 SBEGXMIZYCAMHQ-MHZLTWQESA-N 528.948 5.958 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101387228 PEPFWUZHGNIADK-KKIUXKEOSA-N 584.575 6.143 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1Cl 101391241 MPOCIWXOWORWRK-HSZRJFAPSA-N 529.807 6.873 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)c(OC)c2)cc1Cl 101392544 BTWTVEMRGCJPER-VWLOTQADSA-N 555.414 6.237 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Oc4ccccc4)c3)oc2c1C 101393781 PXKLZOWIDXYSIK-SSEXGKCCSA-N 542.591 7.588 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 101397231 MPNVSFBYIVDYPD-WJOKGBTCSA-N 564.682 8.145 50 10 KKGE N#C/C(=C/C1=C(N2CCOCC2)/C(=C\c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 102940849 FVABYXDNFGEKKN-FKPDSUGYSA-N 524.499 5.466 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 102995670 XUYDSUWSEHZVJC-KHPPLWFESA-N 526.959 5.058 50 10 KKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2C)cc1 103123454 RUDCOJLKVORINM-STZFKDTASA-N 524.602 5.366 50 10 KKGE CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 103876865 UMNZETYNIUWWSG-KCSSXMTESA-N 590.474 5.930 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 150428430 AFUUDQSNKYMRIU-MIIVUHEXSA-N 662.322 5.867 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 150481939 GMMREQZLCNJPCR-NDEPHWFRSA-N 633.940 8.878 50 10 KKGE COc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 161075649 VSMKWICQURHWQC-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 163922185 PZYUXNCVENQWCI-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1F 164638041 BBFAREADDPVVMU-VFLNYLIXSA-N 637.243 6.681 50 10 KKGE CCCCCCCCCCCCCCCCOC[C@@H](CO[P@@](=O)(O)OCCBr)OCCCCCCCCCCCCCCCC 195865386 WGMADEBUMJJRPP-QNGWXLTQSA-N 727.887 12.879 50 10 KKGE biogenic CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 214217603 HQWXIOGNDXIPQB-QQXSKIMKSA-N 508.622 5.885 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1F 214226528 OFXCPVSMVLPHDI-UQQQWYQISA-N 526.612 6.250 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 214306271 YMKGPYLILWMDDD-MBTHVWNTSA-N 538.692 5.747 50 10 KKGE Brc1ccc(I)c([C@@H](Br)Cc2nc3ccccc3s2)c1 232478533 CRHSLYRVJXDUJI-NSHDSACASA-N 523.031 6.342 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@@H]3CC[C@]12C 254371678 UOMMDIWLOYTRIE-WHBZMZQGSA-N 610.583 8.995 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2OC)cc1 254606634 NEUJJIZPQBFQCD-UHFFFAOYSA-N 518.610 5.746 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)ccc1OCc1ccc(C)cc1 254627686 UXMDLSDUEBNIQS-UHFFFAOYSA-N 538.629 5.171 50 10 KKGE O=C(CCn1c2ccccc2c2ccccc21)NN=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 254821190 VBVNAIMOSKAMEG-UHFFFAOYSA-N 550.487 5.458 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)/C=C\c1ccccc1 254844601 BROYUTUZQKOFRJ-RAZXSKSFSA-N 586.503 5.367 50 10 KKGE Cc1cc(C)c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)c([N+](=O)[O-])c1 256022827 RMMFRGGJDPBANT-JEBQAFNWSA-N 553.089 5.836 50 10 KKGE CC(=O)N[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 256313460 OGAQVUGJYFZLEO-YJLYHTKUSA-N 589.648 6.892 50 10 KKGE [CH]1C=C(P(CCP(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)C2=C[CH-][CH-]C=C2)C=C[CH-]1 642813750 PQWFQJYAVYONTI-UHFFFAOYSA-N 670.694 9.941 50 10 KKGE Fc1cc(F)c(F)c([C@@H](Br)c2ccc(I)c(Br)c2)c1F 721607551 BXDSZIQULKOKJU-NSHDSACASA-N 523.887 6.094 50 10 KKGE CN(C)c1ccc(CN2CCN(C(=O)[C@H](c3cccs3)N(C(=O)CCl)c3cccc(C(F)(F)F)c3)CC2)cc1 725237750 MXNWYJHCEZZYBI-SANMLTNESA-N 579.088 5.490 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(C)cc1 1084011847 OGJVJJNIRSJSOH-HZHRSRAPSA-N 521.444 7.554 50 10 KKGE CCOC(=O)COc1cc(Br)c(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084057767 OEKNPCSYJTVCKT-UHFFFAOYSA-N 604.501 6.320 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1084310483 DMVSUOWWAFSIOB-UHFFFAOYSA-N 607.574 5.549 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084400591 PXQKXYAWYBKPEA-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE COc1ccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OC 1084438725 VAKYCVPCQXHDGQ-UHFFFAOYSA-N 569.989 5.112 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1 1084506381 QWIANNOEZDHYRA-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)n1-c1ccc(Br)cc1 1084551115 YTRLTXTYZGGNJS-UHFFFAOYSA-N 583.574 7.075 50 10 KKGE Cc1cc(C=NNC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084618352 QKMUQXFWDNHMHV-UHFFFAOYSA-N 525.299 6.547 50 10 KKGE O=C(NN[C@H](c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1615946111 BHSNWJAECMHGKS-RUZDIDTESA-N 580.726 7.600 50 10 KKGE Cc1c(C(=O)Oc2cccc3ccccc23)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747876 SLYINYMXCSSQST-UHFFFAOYSA-N 514.581 7.098 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772752104 UPDCCOPFWKAUIT-UHFFFAOYSA-N 525.649 6.945 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 1772755311 ACWPWBXSDADFNV-UHFFFAOYSA-N 515.835 6.334 50 10 KKGE CC(C)(C)OC(=O)N/N=C/N(C(=O)OC(C)(C)C)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1772769019 DZBGJXLUUHIXOB-JUSXCTLKSA-N 644.725 6.431 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc(Br)c1O 1865688394 QZVLEZNGNCHTSY-DEOSSOPVSA-N 573.447 5.692 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688641 XSQUGVUECZWZEZ-NDEPHWFRSA-N 506.606 5.673 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865690047 ZQHQGZLVKVTYIN-QHCPKHFHSA-N 531.410 5.673 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690409 QPFYBRBOFMWZTB-QFIPXVFZSA-N 522.914 6.342 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692255 AEFITRDMNGMYDI-MUUNZHRXSA-N 575.496 7.327 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865694252 WEXYUIGBFRLNPW-RUZDIDTESA-N 577.468 6.870 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703930 IYCWFWGNIFVCSJ-AREMUKBSSA-N 531.443 6.598 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)c1 1865705761 FBLLCPZLMBQQLA-SFHVURJKSA-N 503.868 5.347 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)c1OCc1cccc(C)c1 1865706475 XORKPFCGBIKIPF-QHCPKHFHSA-N 532.522 6.005 50 10 KKGE N#C/C(=C(/O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 1872753198 LPNAVRMOZCPIQM-SWBNBEOJSA-N 516.582 5.992 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)C1C2CC3CC(C2)CC1C3 1923071343 IIKAUFYJIZDXFV-MRGWJBNUSA-N 503.525 7.435 50 10 KKGE Clc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593980 JIFCWZSUJLWRCI-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2COc3ccccc3O2)c1Br 1924601500 XXIMZPNRFIGUPO-WPRPVWTQSA-N 547.888 6.312 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)s1 2026222328 XDLUDPMHSMCPGW-NSHDSACASA-N 506.428 6.514 50 10 KKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2c(Br)sc(Br)c2Br)C1 2069067405 DHYIUFXZKVEUPF-NJGYIYPDSA-N 529.864 6.907 50 10 KKGE Cc1nn(C)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 2072299765 BHOVULDZBSDKDW-SSDOTTSWSA-N 542.316 6.168 50 10 KKGE CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@@H]2OC 2080652607 KASDHRXLYQOAKZ-MSAAQXOSSA-N 810.466 5.719 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)ccc2I)c1Br 2138866974 VZUVTKWOUWFILC-CQSZACIVSA-N 579.295 7.215 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)o2)c(C)c1Br 2220149390 MWIOSEXZSUOHAG-CYBMUJFWSA-N 501.838 6.668 50 10 KKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2)cc1I 2256366593 KFUUKDOCZIFCCW-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)cs1 2260070187 XFURVHJTSJHLJQ-VIFPVBQESA-N 525.832 6.798 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277959137 OTADPDJRYYXDIS-OAHLLOKOSA-N 511.877 6.961 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)ccc1Br 2288496878 MTMSZDXTFQJYQL-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2[nH]1 2296546204 UIUTXODLGRPCIW-UHFFFAOYSA-N 528.015 7.712 50 10 KKGE CCOc1ccc(NC(=O)CSC(NC(=O)c2ccccc2)=C(C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 2296780602 JPYXLBMEXJCDOS-LJAQVGFWSA-N 624.162 7.632 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1 2313567659 JVIVIAOKRLUSQO-UHFFFAOYSA-N 613.293 7.215 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 2314479167 ATMLUDOATZSXQM-DEOSSOPVSA-N 565.699 5.814 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314592293 QDCUFECJBIVYMY-RUZDIDTESA-N 518.038 6.030 50 10 KKGE CC(C)c1ccc(C[C@H]2SC(=C(C#N)C(=O)NCc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593950 WKLHVTWDGOBZAP-GDLZYMKVSA-N 523.702 6.676 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2314610865 NICWKMWYPRXUHU-UHFFFAOYSA-N 528.568 5.103 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314617077 QGVLPIPQZLBJBO-UHFFFAOYSA-N 548.986 5.714 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643111 BQRNAJSBHQGNCC-UUWRZZSWSA-N 593.079 7.463 50 10 KKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccc(OCC)c(OC)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777906 ZYSKAAWVMPMMNU-UHFFFAOYSA-N 553.080 6.419 50 10 KKGE Fc1cc(Cl)c([C@H](Cl)c2sc(Cl)cc2I)cc1Br 2316599361 PMZDHFHULCCKFC-JTQLQIEISA-N 500.385 6.889 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)nc2c1 2331046531 OAOQWIOOWBSCBR-UHFFFAOYSA-N 546.377 5.536 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCc1ccccc1 2331414109 GUOGITOGLPXYSN-UHFFFAOYSA-N 514.650 8.519 50 10 KKGE CCOc1c(Br)cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)cc1OC 2331491792 MXZOAKHBAHCEIA-UHFFFAOYSA-N 505.821 6.706 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c(OC)c1OC 2331492894 YSHXZPFBGUCEBI-UHFFFAOYSA-N 519.022 7.132 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(B(O)O)cc4C[C@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@@H]1CC[C@H]2O 2333121703 FIAYIYKWRBIBQG-VMLBNNNLSA-N 634.601 6.657 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2sccc2Br)c1Br 2339652883 CWLBKMXJSFJKCR-LLVKDONJSA-N 533.905 6.837 50 10 KKGE ClCc1ccc(OCc2cc(I)ccc2Br)c(Br)c1 2341781755 XWVHBBBUBPUQTM-UHFFFAOYSA-N 516.398 6.134 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c(Br)c1C 2360483663 LADUEWRNBZESTQ-NSHDSACASA-N 525.890 7.820 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)c1Br 2362237867 TUZYPOPVOGLCFS-LLVKDONJSA-N 615.154 8.013 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Cl 2362251894 CKIHPGZAHYRIGZ-LLVKDONJSA-N 505.834 7.450 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2365190239 CMOINLBSSDVMMI-JTQLQIEISA-N 523.899 7.381 50 10 KKGE N#C/C(=C\c1sc(N2CCCCC2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 12524707 MSACYGJXWVLXHS-BSYVCWPDSA-N 523.666 5.282 50 10 KKGE COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 33890588 NGJVAQCTEVRWOS-NSIKDUERSA-N 510.325 5.660 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(C)cc5)ccc43)c2)cc1 38686602 DQYPOCORUXPRHI-SSEXGKCCSA-N 502.570 6.320 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(C)c5)ccc43)c2)cc1 38686608 QDTIKRQZKFBOSP-PMERELPUSA-N 502.570 6.320 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38700619 SATJAPLBYZZVHR-MHZLTWQESA-N 508.530 5.752 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 39993059 IEGMJZFJSRAMBP-QGOAFFKASA-N 504.468 5.668 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1 40514699 UPHKYDSIBNPGCD-OVVQPSECSA-N 522.601 5.508 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1 59148718 NJFLSPHAZDOTOV-TXNBCWFRSA-N 502.634 6.213 50 10 KKGE O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C\c1ccc(OCc2ccccc2)cc1 100055338 KCJUZBTXKFFJKF-MZFJOGFUSA-N 598.526 6.518 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 100336028 JESQUJOSQGAJDT-CAOOACKPSA-N 615.092 8.012 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241344 ZYGPWQUHFYZXFW-IEQIIXMPSA-N 502.039 5.700 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1OC 101367767 BEDFDPMESUKYKL-LJAQVGFWSA-N 549.023 6.039 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCCC(C)C 101368490 NIRGIZJFGPSXIX-UUWRZZSWSA-N 574.677 7.076 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 101377723 AZDMBRDPCRFPQS-WJOKGBTCSA-N 542.632 6.247 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381323 PWYCQYNJBVBMGJ-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383158 KAPSTCUWYFNYEF-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccccc1F 101386801 PQKSAOQZYYKLTG-JGCGQSQUSA-N 615.057 6.886 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101389653 PDJWWICFEXFTRL-PMERELPUSA-N 571.004 6.894 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 101390155 LYJYDVIJENLINZ-HHHXNRCGSA-N 565.497 7.907 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614765 JHPBMJYERGQVFF-RVDKCFQWSA-N 547.349 5.849 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2C)cc1 102479273 YBKAXPKZTCDZRV-DOMIBPRUSA-N 522.457 6.675 50 10 KKGE Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)ccc1Br 103877479 JBOOPSZDUYSZDP-QXUDOOCXSA-N 565.515 7.695 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485345 GBOBSDJXOCAWRI-WJOKGBTCSA-N 648.455 6.692 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(C)cc1 163806159 RQPUXSHANIRNKP-QLQYKETESA-N 655.536 7.717 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214341164 ISYUFTJBGZKRDN-SEMTXUPKSA-N 556.666 6.988 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214376532 SPJROSACAKLQJS-RHANQZHGSA-N 512.613 6.257 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 214399343 NBIDESONQMAGDM-VEILYXNESA-N 559.582 5.291 50 10 KKGE CCCO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(I)cc1I 233234368 TWCCRQNOPYUIEO-KPXOXKRLSA-N 662.869 5.210 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Cl)ccc2I)cc1Cl 234898874 KXYKBCLABULSIV-AWEZNQCLSA-N 506.392 6.744 50 10 KKGE COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 245296756 POIMRNZXDNXRME-ADWPFFDDSA-N 563.890 7.727 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)CCCSc1nnc(N)s1 253563554 FNWYQVVYNUDWQR-AJBULDERSA-N 580.828 6.109 50 10 KKGE O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 254428886 POEMDRMMUOZWNE-UHFFFAOYSA-N 612.586 5.538 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3cccc(Oc4ccccc4)c3)[nH]n2)cc1 254761485 BBSCLPYJRRGLKQ-UHFFFAOYSA-N 510.638 7.372 50 10 KKGE Clc1cc(I)c(OCC2(CBr)CCCCC2)c(I)c1 387954637 NMIAHCJEAOMXIQ-UHFFFAOYSA-N 569.446 6.273 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]4(C)CC[C@H]32)C1 605692406 BXBZRBSTRFMYJK-ONZLFDFRSA-N 530.910 9.325 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 616584355 KQIVDMATELTUMJ-AREMUKBSSA-N 508.760 6.613 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@@H](c2ccccc2CO[Si](C)(C)C(C)(C)C)Cc2ccccc21 616670174 CUARUJKFVGYQFO-SANMLTNESA-N 511.899 8.377 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2c(c1)OCO2 1084024428 FMPOJBYKWYJLLJ-UHFFFAOYSA-N 573.649 6.923 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084089766 GIPRKJWTXVHTAE-XMMPIXPASA-N 718.757 6.491 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(I)c2)cc1 1084124452 ZHGVZZXYXBXWQQ-UHFFFAOYSA-N 715.389 8.034 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1 1084141257 SFCKNPDREGCADL-XQNSMLJCSA-N 625.361 6.445 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 1084186974 NWLGGLDEIHUDFB-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 1084250923 WCWWLSDFNKAHEB-UHFFFAOYSA-N 503.396 6.344 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084507597 XWDVINSOUADYOK-UHFFFAOYSA-N 539.466 6.427 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084520647 GTCGMJNRFPPDJO-UHFFFAOYSA-N 705.458 7.306 50 10 KKGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc12 1084597747 RCEKFIUHKZLPEA-UHFFFAOYSA-N 534.366 5.862 50 10 KKGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)ON=C2C[C@H]4CC[C@@]2(C)[C@@]4(C)CBr)CC[C@@]3(C)C1(C)C 1772721777 OXOFNMIKPGLQKR-PLVRJFLGSA-N 538.530 6.696 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747244 MLTMGVYKMHWIPE-UHFFFAOYSA-N 531.534 6.997 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H]([S@](C)=O)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434921 MEIKKMCUTRNHMT-DHLNZGLLSA-N 679.405 5.437 50 10 KKGE CCCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665422 HOLIBVBKAUVEFC-FRGSBEJHSA-N 563.705 9.893 50 10 KKGE CC(C)(C)c1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Nc3ccc(SC#N)cc3)cc2)cc1 1858992448 IQBIQWYKHFNZFG-UHFFFAOYSA-N 536.679 5.040 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)ccc1O 1865680996 BZZOYKXVQMCNEH-RUZDIDTESA-N 528.996 5.583 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 1865685206 FQJOULKGIJABJT-NRFANRHFSA-N 507.808 6.777 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865687344 PBAPVICOUABQBM-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690603 WOWFJFJTXKALQP-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865690833 CFJYPAXLCPXUFD-MHZLTWQESA-N 530.669 6.401 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865695019 HXQVLPAPCLADEA-VWLOTQADSA-N 527.452 6.342 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1 1865704778 DMFCCGAQFXQXIA-AREMUKBSSA-N 577.424 5.942 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865714484 LRQAXLOTELAYED-HSZRJFAPSA-N 529.940 5.092 50 10 KKGE COc1ccccc1-c1nc(CC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866671755 RLEBOKQQZYHZOV-HHHXNRCGSA-N 584.654 5.066 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccc(F)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866753030 SLNQTSVVXYVOBM-NSOVKSMOSA-N 547.652 5.820 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)CCC(=O)c2ccc(C)cc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867090007 INLHFNZYPVWGIZ-HHHXNRCGSA-N 543.645 5.131 50 10 KKGE N#CSc1ccc(Nc2cc(N3C[C@H](c4ccccc4)Cc4ccccc43)nc(Cc3ccccc3)n2)cc1 1868207122 GWUDJMGBFXCBIV-HHHXNRCGSA-N 525.681 7.862 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Br)cc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456517 QRFGJFRXSONFQZ-DEOSSOPVSA-N 562.468 6.940 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 1872746970 IGDLWXKNXRKVKC-MNDPQUGUSA-N 510.240 7.531 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1OC(C)C 1872781781 QPFIQIRISGIKRC-MKMNVTDBSA-N 524.267 7.739 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Cl)cc2I)sc1Br 1901026687 RZWJZCFVVVLDEF-MRVPVSSYSA-N 512.457 6.623 50 10 KKGE Clc1cc(Cl)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923055279 RIIAFHBEUJGJSM-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE FC1(F)[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCCC2 1924569607 XRDSZRZRFBZQGH-HTRCEHHLSA-N 543.891 7.297 50 10 KKGE FC(F)COCC[C@H](Br)c1c(Br)sc(Br)c1Br 1924583582 LZWHLCCBYHCIGF-BYPYZUCNSA-N 521.841 6.143 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@]23CCCC[C@@H]2C3)c1Br 1924608822 NWOOQTGKYPKWMB-ZIGWGHGNSA-N 507.911 7.052 50 10 KKGE CC1(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2025778920 AHYZWUGWXXIAEJ-QMMMGPOBSA-N 554.740 7.363 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3s2)cc(I)c1OC(=O)c1ccccc1 2053614934 QFYCOMXSAUHYHX-UHFFFAOYSA-N 538.366 6.193 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccc(Br)cc2I)c1Br 2086139903 VAIZBTMWEJDIGI-JTQLQIEISA-N 629.775 7.433 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 2097836043 WVNHNEUFENQQNB-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(C2)CC32CCC2)c1Br 2127503491 AZFUPQNCZAJOQQ-ZQQUDOKWSA-N 533.949 7.442 50 10 KKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2136370500 JFWXMIPYAWEJAW-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2137664036 XDTGTMPJCBXPBQ-LLVKDONJSA-N 509.872 7.026 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2141469953 XXYPVSZMEOOSFT-NFNXHLSSSA-N 583.782 6.561 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146628746 PEDMGGOPADKNOJ-INWYIAFRSA-N 545.916 6.843 50 10 KKGE Cn1ncc(CC(CBr)(CBr)c2ccc(Br)cc2)c1Br 2173258600 VNFWTAGADWLPRH-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c1Cl 2203431957 FUAKSOVIEUSJNJ-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(I)ccc1F 2203812256 FNABYEDMQTXCMK-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206396167 SXZXQJUNDAEBMP-GFCCVEGCSA-N 631.247 8.506 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2207273322 TXBCUBRELCUYDR-INIZCTEOSA-N 572.904 7.226 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1cc(Br)sc1Br 2221699188 FHTOINSPVABSDD-SECBINFHSA-N 538.324 7.368 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csc(Br)c1Br 2272839585 GWBNKXCHZCOBMS-VIFPVBQESA-N 560.277 7.405 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1I 2288496851 MIMNYKBIHLQXHE-GFCCVEGCSA-N 536.379 6.731 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1 2293520676 ICBKJEQJPCCUAA-UHFFFAOYSA-N 555.078 6.269 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293740382 XGONPDWJPQJZDW-UHFFFAOYSA-N 509.679 6.448 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296720921 YCSADTQVYXATCG-UHFFFAOYSA-N 532.792 5.785 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C(C)=C(C#N)C2=O)cc1OC 2296854981 GXMSLISPEBNZRG-QHCPKHFHSA-N 614.702 6.023 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)Nc1cccc2ncccc12 2297488363 OFHNJYOPUCIZFV-UHFFFAOYSA-N 511.581 6.938 50 10 KKGE CN(C)C(=O)C(C#N)=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 2313566842 BRBRZHLPBSGVPA-UHFFFAOYSA-N 533.047 6.093 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 2313568705 WHYQFQAMKUMFFA-UHFFFAOYSA-N 521.367 5.620 50 10 KKGE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1Cl 2314531770 DUPZPAFDUGJIPH-UHFFFAOYSA-N 539.806 6.610 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314611056 PGGJVMXUBYRLHK-UHFFFAOYSA-N 578.672 7.272 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C(C)=C(C#N)C1=O 2314611132 RDCGWANJDRKQCZ-UHFFFAOYSA-N 538.717 7.214 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314616813 KGWMDFCYQAPDPW-UHFFFAOYSA-N 570.693 7.128 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314617030 PIHYAZIHNAWPQO-UHFFFAOYSA-N 522.674 6.576 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 2314620528 PXACHQPFPULROS-UHFFFAOYSA-N 530.983 6.249 50 10 KKGE CCCOc1ccccc1C=C(C#N)C(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)OC 2314796003 MVBRMZKRLWWJNG-UHFFFAOYSA-N 500.620 6.415 50 10 KKGE CCOc1ccc(C=NNC(=O)CSc2nc(O)c3c(-c4ccc(C(C)C)cc4)csc3n2)cc1OC 2320487681 UKATYBSIHYCVLD-UHFFFAOYSA-N 536.679 5.837 50 10 KKGE N#CC(=C(O)C=Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232044 MESKVWSCYGFIBO-UHFFFAOYSA-N 512.634 8.562 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1OC 2331358718 HAGHTCUATVHXLX-UHFFFAOYSA-N 512.587 7.134 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cnn(C)c1I 2339652652 BIFIXLYVQHOZBD-JTQLQIEISA-N 522.381 5.325 50 10 KKGE COc1cc(F)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364071600 ROUONOAEXQJKES-SECBINFHSA-N 535.831 5.340 50 10 KKGE FC(F)(F)[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@H]1CBr 2377345181 UZFYXVLGLYVYFO-ZJUUUORDSA-N 526.960 5.059 50 10 KKGE C[C@](CI)(OCc1cc(I)ccc1Cl)c1ccccc1 2380347171 SRCJGPZKUDBYJK-MRXNPFEDSA-N 512.556 5.812 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1Br 13977065 FJDPNTUCOUOYTQ-UHFFFAOYSA-N 524.484 5.214 50 10 KKGE CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 16040103 LJDJHYHISCPTMX-QKWNUXJXSA-N 504.715 7.289 50 10 KKGE C/C(=N/NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)c(Cl)c1Cl 33497121 OTQGNDCNOGKXLE-UXTNTYFRSA-N 510.849 5.969 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1 38650885 FOLCCOHINCENON-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)c(Cl)c1 38656011 VBAGNPPKQHWFOV-DEOSSOPVSA-N 515.780 6.158 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2OC)c1 38657126 REIDGRFUGBUIBO-MHZLTWQESA-N 500.551 5.320 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38681067 QPAQLEYLZXGEQK-MUUNZHRXSA-N 512.562 5.485 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822718 VORVXLGZSYJALS-MHTZHOPKSA-N 503.602 6.318 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c1 100080727 RZQRUYFSOPLPNY-QVTSOHHYSA-N 534.454 5.370 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 100227526 PSFWUDCVHNPLRF-RGVLZGJSSA-N 583.382 6.031 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101332848 AXFOTVAKBHANFW-QNKGDIEWSA-N 578.672 7.274 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337713 OZQVXSSFQLTZJB-RCCHARBYSA-N 577.084 7.335 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCCC(C)C 101368393 TYRIBZJYKIOZMU-WJOKGBTCSA-N 542.632 5.940 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc21 101371739 AZMIDZYKSIYNTR-SANMLTNESA-N 535.394 5.440 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101372282 LECIKOMYYMMAFK-MGBGTMOVSA-N 584.713 7.154 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OCC 101374561 DBAWYMAKLFVVDJ-DTDRWLINSA-N 554.643 6.500 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2OCCCCC)cc1 101378295 CABFQDIAANAJTB-WJOKGBTCSA-N 540.660 7.262 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380214 PNMFVUWYTVYKFT-WJOKGBTCSA-N 536.559 5.916 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384867 BFECRGAXWKDKTE-UMSFTDKQSA-N 607.493 8.092 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101390888 NUAKSTBYNYJSFI-MHZLTWQESA-N 599.495 8.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccccc1Cl 101391007 WEFWQVXQEWUZGS-HXUWFJFHSA-N 527.816 7.299 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1 101392933 ZELWSQVFLRPABM-GDLZYMKVSA-N 603.458 7.027 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 103879968 SKSQQZXTFNKFFK-KVSWJAHQSA-N 548.220 6.854 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 105020701 XZQRUVWDTJHAQH-MDAYZVFASA-N 527.506 5.276 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NCCCn1ccnc1 105479977 WVSVVKNYMQSRSW-OOAXWGSJSA-N 528.616 5.428 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 110558312 LTTZTYCNLUGICD-MOXAGWRRSA-N 581.698 5.191 50 10 KKGE CC1(C)[C@H](Cl)C[C@H]1Oc1c(I)cc(I)cc1I 117316407 PBWKJSUVKQONQK-NXEZZACHSA-N 588.392 5.285 50 10 KKGE Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150404013 BGEPVNZSCQVJIZ-CQSZACIVSA-N 629.143 5.738 50 10 KKGE COc1ccc(C(=O)Oc2ccccc2/C=N\NC(=O)CCCCCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1 150637290 MUWXVVKPXRQIPU-XKLJWPJGSA-N 664.715 5.693 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1F 214272511 WNDRPNDMYVAAEK-MYYYXRDXSA-N 526.612 6.106 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 214383803 YLMZCPVTPFRMHC-YUMHPJSZSA-N 558.594 5.459 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253563868 FWHRJSYEBNMCBS-KCSSXMTESA-N 683.624 5.264 50 10 KKGE COc1cc(C(=O)Oc2cccc(C=NNC(=O)COc3ccc(-c4ccccc4)cc3)c2)cc(OC)c1OC 254395528 VFJLSNDSJUATDK-UHFFFAOYSA-N 540.572 5.128 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12 254656104 DQUATJOCXRCXTA-UHFFFAOYSA-N 500.683 8.210 50 10 KKGE Fc1cccc(Oc2c(I)cc(Cl)cc2I)c1CBr 311457640 DZUYKCNZHTXSEU-UHFFFAOYSA-N 567.361 6.376 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1CNc2ccccc2N1S(=O)(=O)c1ccccc1 616586846 XSTICIHWYVGPAN-MHZLTWQESA-N 508.760 6.613 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616590354 QXQZQDMMTWVWDX-NYEJKPTQSA-N 654.920 8.706 50 10 KKGE Brc1ccccc1C[C@H](Br)c1cc(I)cc2c1OCC2 692447078 APURYWQNEIXDOV-HNNXBMFYSA-N 507.991 5.667 50 10 KKGE C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 888085537 MUAZUFIWQGAINF-HUUKXQTQSA-N 637.081 11.139 50 10 KKGE CCCCCCCCC/C=C\CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C 888086317 CVLCPTLDBGENCL-UMRZJLATSA-N 697.971 10.289 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817462 FAGFLKDXAVYVFV-KQZFZZGISA-N 672.973 7.366 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 1083933250 DEYBZBYOQCFQED-UHFFFAOYSA-N 668.084 5.398 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 1084120633 XWEQWVQFTZSWSI-JOCHJYFZSA-N 519.798 5.785 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084126534 GTEHTEMCFMTVCG-XMMPIXPASA-N 575.887 6.053 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084137215 IBFNIJNLNALRHS-SRZZPIQSSA-N 575.419 5.692 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)cc1 1084279229 UVKUARSWFNZCJB-UHFFFAOYSA-N 638.189 7.695 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1084281896 XEDBVLSZKQOQIO-UHFFFAOYSA-N 579.472 5.868 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084572876 UKKPITMHZWCGJF-UHFFFAOYSA-N 534.863 5.147 50 10 KKGE N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 1084573612 GORPQQGFUHIRML-MHWRWJLKSA-N 515.227 7.849 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1C 1772755348 BYWPWBAXIZDKKR-UHFFFAOYSA-N 567.524 6.952 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680164 AGDBQBPFUZLSPE-QHCPKHFHSA-N 535.387 5.543 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686124 RQEFOAUFLFDBMJ-DEOSSOPVSA-N 517.416 6.440 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1 1865690235 MBZMCCLNOUQPEK-LJAQVGFWSA-N 534.660 6.621 50 10 KKGE C=CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865690811 BPQSTTRKHAQEFL-NDEPHWFRSA-N 518.617 6.007 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865690950 FRLWZBGEOZUFBA-MUUNZHRXSA-N 520.633 6.725 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)cc1OC 1865693670 XTQSHILPYIBTFZ-MHZLTWQESA-N 573.491 6.892 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695078 JIDCQQYVQYDWHD-AREMUKBSSA-N 531.443 6.598 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695149 LGUYXNPXSIIBNB-SANMLTNESA-N 531.443 6.929 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695294 NGBYMOUPHQAHHX-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865696013 JPHSTYLMVOUCSE-HSZRJFAPSA-N 578.994 6.929 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700792 DMZKPEIFWOCPMG-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1C 1865703507 WZBUMWVKELRVKJ-WJOKGBTCSA-N 548.687 6.615 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865704387 UTDCETUKCOMTMG-SANMLTNESA-N 512.997 5.894 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712329 VRUCFFIWDNHZOG-SANMLTNESA-N 531.443 6.598 50 10 KKGE CC[C@@](C)(NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)Nc1ccc(SC#N)cc1 1866855049 ZMOLYNDKYJYDNQ-RUZDIDTESA-N 528.465 5.778 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1 1866887013 BSLSUCYYDWZZPW-XMMPIXPASA-N 574.149 5.134 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2csc(-c3ccncc3)n2)cc1 1867060513 MPQCXOHFCUJFCJ-RUZDIDTESA-N 559.742 5.768 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)Cc2ccc3nc(O)c(C(C)C)cc3c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867065157 IHMUBAXSTHXONN-GDLZYMKVSA-N 582.682 5.471 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)cc1C 1868207182 IVKVGTABOIWNBY-SANMLTNESA-N 535.673 6.553 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@H](c4ccc(F)cc4)C3)n2)c1 1868506115 QQGWTWRYJRFKIQ-SANMLTNESA-N 526.641 6.101 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 1872745538 RPOBDDVCVVUJMQ-OLUGBCFNSA-N 503.624 6.016 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1OC 1872790394 FVEUPTYUVOGYHS-XQNSMLJCSA-N 519.667 6.309 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1OCC 1872795230 UYBVMWDYNYOYTL-HMMYKYKNSA-N 508.640 6.868 50 10 KKGE Fc1c(F)c(F)c([C@H](Br)c2sc(Br)cc2Br)c(F)c1F 1922892206 QSLJTVIPLHTKFR-YFKPBYRVSA-N 500.906 6.453 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 1924584181 UQEFIKOLKCXZMG-SZACMFPPSA-N 507.911 6.908 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@H]3CC[C@H]2C3)c1Br 1924584500 YOKOQVCFJZMIPW-BMLSCUAFSA-N 507.911 6.908 50 10 KKGE Fc1cc(Br)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924594199 LIYUOXQXPJUMNB-VIFPVBQESA-N 542.287 7.265 50 10 KKGE FC(F)Oc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924601250 KEPFZULVVXPELJ-QMMMGPOBSA-N 555.858 7.121 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cscc2Br)c1Br 2024281095 DKEBJQSOFGLNSP-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2csnc2Br)c1Br 2024294888 NYAFAGFKPBXFRT-JTQLQIEISA-N 504.867 6.223 50 10 KKGE Brc1cnsc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499211 GJSSOAMFRUVSEX-VIFPVBQESA-N 648.632 7.440 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(C3CC3)c(Br)s2)c1 2094673770 OKOVLQFUWZJIPE-ZDUSSCGKSA-N 532.466 7.130 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2cc(I)ccc2Br)cc1Cl 2136691709 ISJNDKVNOIKNIQ-CQSZACIVSA-N 534.844 7.153 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)cccc1Br 2137654357 HZNGTUKDSYLOCP-CQSZACIVSA-N 532.295 7.420 50 10 KKGE COc1cc(F)c([C@H](Br)c2cc(Br)sc2Br)cc1Br 2138162567 UQQDYAUAMHJYDD-NSHDSACASA-N 537.868 6.668 50 10 KKGE COc1cscc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469083 QYIJFGLUYCCDEL-GFCCVEGCSA-N 554.323 7.135 50 10 KKGE Fc1ccccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477183 MUNMGSVXOXSILU-CYBMUJFWSA-N 536.258 7.204 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3csc(Br)c3Br)c2O1 2150345469 NDCAOZDMUOUBCR-KGFZYKRKSA-N 545.916 6.843 50 10 KKGE CN(C[C@@H](Br)C1CCCC1)C(=O)c1cc(Br)ccc1I 2167647571 RBDYXNZTZWZVNQ-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)sc(C)c2C)c1Br 2201073231 OGOJZAIJOVPVAI-CQSZACIVSA-N 545.960 7.754 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(C)s2)cc1Br 2218970778 UPIROZGXDYSSIM-ZDUSSCGKSA-N 517.906 7.137 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(C)c(I)c1 2232833824 FIRVHXQTBSKOAT-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE Clc1ccccc1[C@@H](CI)OCCOCCOCCOCc1ccccc1 2236083785 COLGVACTUWRCDS-OAQYLSRUSA-N 504.792 5.083 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)c(Cl)s2)cc1I 2257354404 LHYBSOMOWXAUSL-NSHDSACASA-N 522.427 6.262 50 10 KKGE CS(=O)(=O)c1cscc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2272853064 VPLYGKKRIPQVLY-ZETCQYMHSA-N 529.522 5.876 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(Br)c(F)cc2Cl)c1Br 2285944933 AQFVIBPHZMRUAU-AWEZNQCLSA-N 505.834 7.403 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293198347 XFAUZDZIFRJDTQ-OAQYLSRUSA-N 516.381 5.468 50 10 KKGE O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2294764870 CEANECYHZNFOMP-UHFFFAOYSA-N 542.595 5.340 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 2314532778 MBOKNVYKGKWNHO-UHFFFAOYSA-N 521.758 5.448 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314593751 SEXJYDGCBZHKEU-YUDQIZAISA-N 553.728 6.732 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314611112 QVTIQPKUOXNBTI-UHFFFAOYSA-N 536.676 6.747 50 10 KKGE COc1cc(C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314616686 HIVZCKBAHMSVOQ-UHFFFAOYSA-N 525.432 6.506 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 2314618902 WKMQVBMXQAHAQV-FQEVSTJZSA-N 530.584 5.557 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@@H](C)O4)C(C)=C(C#N)C2=O)cc1 2314620139 KJPJPPFKCWVBQC-HSZRJFAPSA-N 584.676 6.015 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646719 KWKJRQBQNMNXAO-HKBQPEDESA-N 701.204 6.688 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 2314646815 PKHODYRWMZQGCP-QGZVFWFLSA-N 583.449 5.179 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2328824660 LDWGCRGETYOWQH-QFIPXVFZSA-N 508.446 5.962 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)[C@H](C)Oc2ccc(Cl)cc2Br)n1 2331323583 HXDWBMBMVWDCNP-ZDUSSCGKSA-N 505.821 6.803 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(Cl)s5)cs4)cc3C2=O)c1 2331400639 DOXSBDBZZWQGAZ-UHFFFAOYSA-N 518.019 6.892 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1c(Cl)cccc1Cl 2331459162 TUYJJZLIVJRCSM-UHFFFAOYSA-N 511.405 7.908 50 10 KKGE CC(C)(C)[C@@H]1[C@@H](Br)CCN1Cc1ccc(I)c(Br)c1 2349836873 OWENRFDDAONTDX-FZMZJTMJSA-N 501.044 5.438 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(F)c(F)c1F 2361193618 AYAOQWPRCFBNJD-KRWDZBQOSA-N 504.115 7.069 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(C(F)(F)F)CCC2)c1Br 2362222452 BRJPXVDEKLCWDO-SNVBAGLBSA-N 503.353 7.173 50 10 KKGE CCOc1c(Br)cc2ccccc2c1/C=N/NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3113069 PFVPFJYXQWVZOC-UXHLAJHPSA-N 540.421 6.013 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 35519568 AANFZKOMJATPLE-XDHOZWIPSA-N 516.966 6.453 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCCC(C)C)c1 38684733 OHNYCTAAQLEGLY-PMERELPUSA-N 526.633 6.728 50 10 KKGE Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NNC(=O)COc3ccc(Cl)cc3Cl)c2c1 39852568 YZYVEVADMQAXGT-UHFFFAOYSA-N 511.409 5.394 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 100237138 FUGLQETYZMYTSP-LPSZMKJGSA-N 561.078 6.834 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 101245031 SYCLUDVRRBLGON-HVCOVSINSA-N 550.511 7.490 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246743 LCGDGOXGVCRTNO-NNHPPCHPSA-N 534.037 5.812 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101295618 SKLMXLRCXOBDMG-FQEVSTJZSA-N 544.432 5.149 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101339120 AWQXNCPPZJVBSE-YDZHTSKRSA-N 539.459 6.896 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 101378287 OZJWWVOMKKZBOO-MUUNZHRXSA-N 529.549 5.366 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381244 ZJLLFIRDFSGRBV-VPTFNQTCSA-N 605.449 7.303 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385748 PYZCOJHSIINMON-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1 101386385 QMFNRELDZCWXNV-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387636 QXSJJGLRJPAHMD-YTTGMZPUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(F)cc1 101389735 XHXXJZMFJZZTGN-SSEXGKCCSA-N 581.556 6.149 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1OC 101392645 YKHDUEOGKUSLFN-VWLOTQADSA-N 530.964 6.158 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)c1 101396243 MGVZGWUBYNSQEQ-AREMUKBSSA-N 551.426 6.784 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 101906952 BATHQWOEBMKIJF-IDUWFGFVSA-N 523.641 8.061 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1Cl 102665986 KMGFTDBKQKMFKW-QPSWJSTDSA-N 552.881 6.476 50 10 KKGE CCCCOc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NCCOC)cc2)cc1 102836371 ULRMJWLYXAKPKX-MEFGMAGPSA-N 550.659 5.967 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)S/C2=C(\C#N)C(=O)NCCc2ccccc2)cc1 103743121 AAEPMFMYVZXNMW-SJUMRLIPSA-N 536.484 6.087 50 10 KKGE CC(=O)Oc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 103877287 HPKZQDJOTKFVMF-KEIPNQJHSA-N 530.628 6.549 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105058273 YDRNJACIPVTUTB-ODNPBWNPSA-N 599.470 7.717 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 109869803 NWAGXFUVCYSHOB-LLVKDONJSA-N 519.878 6.529 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1 135836249 CLIJEBWEOAONFS-ZNIBUOHYSA-N 539.701 6.382 50 10 KKGE COc1ccc(/C=N/NC(=O)c2sc3nc(N/N=C/c4ccc(OC)cc4)nc(-c4ccccc4)c3c2N)cc1 137053348 JJKDCSDMAMESCB-LCTMICICSA-N 551.632 5.168 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)COc3ccc(Br)cc3Br)cc2)cc1 150387366 ALJWRLBLEUJEOR-UHFFFAOYSA-N 662.404 5.476 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)COc1ccc2ccccc2c1Br 150388304 ZOKVGTVUNGOUAD-UHFFFAOYSA-N 696.215 5.760 50 10 KKGE CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1c(C[C@H](Br)CBr)cc2c(C)cc(=O)oc2c1C 159448950 UZXYTNAFPQAFFR-GSMBIVSISA-N 657.421 5.718 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C\c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 205667118 YMLYGVXZUUIZRW-SUFIFVMZSA-N 518.544 6.242 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776059 FVVFWHBITAMEQO-OYJRAWOKSA-N 660.796 6.415 50 10 KKGE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 211936573 XOOFVPJKRYSYKW-XMHGGMMESA-N 567.158 5.270 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cc(C)ccc3C)C2=O)cc1OC 214369156 LYPYRTGNZHZVNZ-CEUNXORHSA-N 572.665 6.008 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 214384696 FMPOOLQKUDVZKE-QFEZKATASA-N 532.531 5.200 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)n2C2CCCCC2)cc1 254293004 DVZBGANCFUSNDT-UHFFFAOYSA-N 525.678 6.793 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C(=O)Nc2cccc3ccccc23)cc1 254824030 OQCZFGBGISTSOH-UHFFFAOYSA-N 517.589 5.570 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2ccc(O)nc2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 616584701 FZEZVYLDVFRXAW-FDVXGCIVSA-N 801.010 8.907 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)s1 721589030 RCZJQHRFUDNAHK-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 1084116862 JLLCJGJKEKWNAP-UHFFFAOYSA-N 597.568 6.093 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1 1084183992 PNRXPSPVLXSGKV-XQNSMLJCSA-N 672.361 6.287 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 1084365237 GZBYZMHKHIWPJU-UHFFFAOYSA-N 557.672 5.318 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)Cc2ccccc2)cc1 1084370459 MAEMUWSJIDOKBW-UHFFFAOYSA-N 558.704 5.061 50 10 KKGE O=C(Nc1ccccc1C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccco1 1084408150 KIVQXRJRAXKXKW-UHFFFAOYSA-N 508.361 6.182 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084456293 LCEABUUAHMJODP-FQEVSTJZSA-N 579.129 7.258 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N 1084570581 TUOYBKZBJKQSBS-ZVHZXABRSA-N 512.407 6.482 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084586659 FNTVOZFIZNNYBJ-HZHRSRAPSA-N 591.462 5.591 50 10 KKGE CC(C)(C)OC(=O)NCCC(=O)NN=c1cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 1565518357 COURVSKIQKRHJP-UHFFFAOYSA-N 531.653 5.974 50 10 KKGE Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748388 PLAITTPTHAEIDQ-UHFFFAOYSA-N 571.033 6.463 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC 1772754414 VELJWCBBXFMWOY-UHFFFAOYSA-N 562.258 5.815 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865681946 BJPQMASQUBLMHP-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682491 PZSPJHOBZINFBR-MHZLTWQESA-N 502.549 6.117 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865687705 YIIONGOYIYRLJS-MHZLTWQESA-N 541.051 6.988 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865694557 XCDHFWOVHPRKLJ-AREMUKBSSA-N 510.569 5.753 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1OC 1865695035 IDMNSRXWNOFTFJ-VWLOTQADSA-N 512.997 5.877 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695656 RAVNOQQMALQTFR-HKBQPEDESA-N 542.639 6.702 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696545 OWYVYEYSKJROBE-QFIPXVFZSA-N 579.838 5.896 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865697296 PVJSJNYJWFHIOJ-FQEVSTJZSA-N 577.401 5.955 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701369 UCDKLUCHPGKNJL-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2 1865701672 BFAVFMLYWXECKM-DEOSSOPVSA-N 510.469 6.255 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2F)c1 1865701714 CLGMTBJWJQBOIC-GOSISDBHSA-N 521.312 5.687 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865702724 CMVGKVZOXZULKB-MUUNZHRXSA-N 527.024 6.338 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703686 ZEFYGXDJCVGNSF-RUZDIDTESA-N 503.389 6.285 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704146 OLLFAJCGWKXNTB-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCCc1nn(CC)c2c1[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705313 RSIZTXRUDXZSAM-QFIPXVFZSA-N 527.408 5.608 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)cc1Cl 1867128416 HLYQXUAWHACBCV-PXJZQJOASA-N 588.104 6.949 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCc3cccc(Cl)c3)CC2)n1 1868253236 DAAWMRSSNXWNHX-UHFFFAOYSA-N 509.079 5.000 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 1868300677 HRSSZISSKJNSRV-UHFFFAOYSA-N 545.672 6.213 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1868433102 DRQLUBUDPWFHSG-UHFFFAOYSA-N 544.080 7.170 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 1872744770 HNGQCQUZDCKANF-IIGUQOQPSA-N 520.698 8.973 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(OC)c1 1872755460 OSXQXNINYXMRKU-GKYQZKGUSA-N 521.620 5.038 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1OC 1872756940 IPWWKUGIYLDMGG-TZJJURDYSA-N 517.651 5.636 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605777 WYAXLTOAWNQLCX-SSDOTTSWSA-N 572.736 7.184 50 10 KKGE Cl[C@H](c1ncsc1Br)c1c(Br)sc(Br)c1Br 1924613625 SLWKCZMDOUHHQC-BYPYZUCNSA-N 531.314 6.583 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)C[C@H]21 1924616490 PHMZCWOULCLYRV-FJDLHZNMSA-N 543.891 7.153 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2039360874 WRKQQMTZRDLEAE-NQMVMOMDSA-N 523.954 7.688 50 10 KKGE BrC[C@H](COc1c(Br)cc(Br)cc1Br)CC1CC1 2050056915 KHJPSNBIHHNWDS-SECBINFHSA-N 505.870 6.164 50 10 KKGE Cc1cc(C(=O)C(C#N)=Cc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1 2053574362 HHESJOIZKJPAMG-UHFFFAOYSA-N 547.543 6.335 50 10 KKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)Cc1cccs1 2123271877 USYRRESFUMEWPJ-UHFFFAOYSA-N 515.292 5.797 50 10 KKGE C[C@H](N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)ccc1Br)C(C)(C)C 2123271896 VAKKCWZRFZIENV-HNNXBMFYSA-N 503.300 5.970 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(F)ccc2Br)c1Br 2138854866 UXVOIRUFMAQPFZ-CQSZACIVSA-N 515.840 6.906 50 10 KKGE CCc1nn(-c2cc(C)cc(Br)c2CBr)c(CC)c1I 2173445428 ULJQYXJIVNGVHW-UHFFFAOYSA-N 512.027 5.568 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)cc(Br)c2)c1Br 2201082132 NCZBRXMORWXGGR-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@@H]2CCC[C@H]2C1 2206396228 UNRFJMHCMYSIKQ-VQLIFVOLSA-N 550.354 7.843 50 10 KKGE Cc1nn(C)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206398087 QPEDFLBKTFOFBT-LLVKDONJSA-N 615.183 6.869 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Br 2206405487 LCKANRMNGQLORQ-CQSZACIVSA-N 611.191 8.136 50 10 KKGE Brc1sc(C[C@H](Br)CN2CCCCC2)c(Br)c1Br 2222472249 OGLRPHQVVOOKTA-QMMMGPOBSA-N 524.942 5.828 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2225634703 QMUYZBJSYNXCKG-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Br)c(C)c2Br)c(C)c1Br 2226078167 MQDIUIRLJLOFSH-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2226089968 UHMNJDILYAGJNS-LBPRGKRZSA-N 661.671 8.353 50 10 KKGE Cc1ccc(-n2c(CCl)nc3cc(I)ccc32)c(I)c1 2240511332 ZZUZULDZAUZRLV-UHFFFAOYSA-N 508.528 5.282 50 10 KKGE Clc1cccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)c1Br 2256135025 BGAJQQOJHUEASW-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE CCOc1ccccc1NC(=O)C(C#N)=Cc1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 2295672415 VWPQHPHNHFTAIM-UHFFFAOYSA-N 527.422 6.305 50 10 KKGE CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2295852189 AYFWEPYCHARVGG-UHFFFAOYSA-N 507.575 5.046 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC 2295945862 JRHMZEIHKHSVDO-UHFFFAOYSA-N 532.021 6.697 50 10 KKGE O=S(=O)(N=C1C(Cl)=C(Cl)C(=NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)[C@H]1Cl)c1ccc(Cl)cc1 2296463538 OHZOCVNOBKUPHP-INIZCTEOSA-N 629.585 6.437 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296507119 UGKHXOVALLJLCC-QFIPXVFZSA-N 563.293 7.365 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2299498025 YORWCIYWXDJSHS-GOSISDBHSA-N 531.107 7.645 50 10 KKGE ClC[C@H](I)[C@@H](CCl)OCc1c(Br)cccc1Br 2302080060 NPJPSKZMXNHOJH-WDEREUQCSA-N 516.826 5.378 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518657 NMJXWJOZAZROJV-UHFFFAOYSA-N 607.275 6.799 50 10 KKGE Fc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(I)c1 2314452697 PJUDRZRYENOCSK-FQEVSTJZSA-N 576.041 7.256 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501553 ZAXMKDCCJLIGEQ-NRFANRHFSA-N 525.078 7.583 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C(C)C)C(=O)C(C#N)=C2C)c(C)c1 2314610967 OSGBTRGMGVACEC-UHFFFAOYSA-N 508.622 6.027 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC)C(=O)C(C#N)=C2C)c(C)c1 2314618588 QCOGKLCIWKYTTK-UHFFFAOYSA-N 524.621 5.265 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2314640729 SEISLXMAXLTJNN-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646558 CCJLPHKCSANYKR-NDEPHWFRSA-N 646.725 5.029 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)NN=Cc3ccc4cc[nH]c4c3)cc2)sc(C)c1C 2321698113 DFPKRIMLYNRQKR-KRWDZBQOSA-N 532.622 5.193 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(OC)cc1Cl 2331376838 BUIJSNCCLFKBRA-UHFFFAOYSA-N 513.059 7.430 50 10 KKGE COc1ccc(CCN2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(C)c(C)c4)cs3)CC2=O)cc1OC 2331382531 DHXHHSFVABUIGN-NRFANRHFSA-N 503.624 5.328 50 10 KKGE CCC1(CC)[C@@H](OCc2ccc(I)c(Br)c2)C[C@H]1Br 2350040172 RZPVARZAHZTHHU-KGLIPLIRSA-N 502.028 5.913 50 10 KKGE Fc1cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Cl)cc1Cl 2351643565 XAVYDOCPDZWZEK-VIFPVBQESA-N 532.281 7.810 50 10 KKGE Cc1ccc(Cl)cc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256438 XDIWETWUYLJIDB-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2364236178 QVBPHOHKBDTAHV-SECBINFHSA-N 531.868 5.509 50 10 KKGE Clc1cc(Cl)cc(CC[C@H](Br)c2cc(I)ccc2Br)c1 2366891038 VAUSJQKVWYUQML-AWEZNQCLSA-N 548.871 7.429 50 10 KKGE N#C/C(=C(\Nc1ccc(F)cc1F)SCC(=O)NC(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 3271038 WTECFHLZTHEBJG-WMMMYUQOSA-N 568.674 7.518 50 10 KKGE CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 9873780 BYPIYASFRZUNMT-IAGOWNOFSA-N 505.453 5.254 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCc1ccccc1 29503152 PATHLHDEIJVMHR-NHFJDJAPSA-N 565.699 5.327 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1 35445878 GOTLSMZREWIQKD-FCDQGJHFSA-N 508.647 6.986 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)c1 38684691 SOBLJKBPKUDPKS-JGCGQSQUSA-N 518.613 6.631 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38685124 QGGINTCCSXXLBV-RUZDIDTESA-N 509.389 6.610 50 10 KKGE CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCCCCC)c(OC)c2)cc1 40853169 WMJFFEFYHMEPNG-LKUDQCMESA-N 506.643 6.937 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1OC 40890484 YVRZMWNQXJERLR-CXNZIMQDSA-N 520.626 5.715 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCc1ccc(Cl)cc1 51103748 CUFKRRIWHKFQJL-ZDLGFXPLSA-N 555.803 6.781 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 58893645 MJBFEWAEWWSLQZ-CFRACYSYSA-N 514.582 5.269 50 10 KKGE COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1 59303565 DTTLHHAXPMBMFZ-FMFFXOCNSA-N 517.585 6.572 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 97986313 WXUYXBIMEOXHGB-MSUUIHNZSA-N 507.981 5.524 50 10 KKGE C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc(-c2ccccc2)cc1 100062016 ZILOGAFEBVVWSX-STBIYBPSSA-N 552.266 6.951 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101033987 WQIGBYZPYADPAL-DEDYPNTBSA-N 516.534 7.092 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244499 HNWJDXDFFJKZES-UZEPBSNMSA-N 502.039 6.528 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C1=O 101332835 LAYRWMWKCHSTBW-MTDXEUNCSA-N 546.602 6.260 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101339734 VISFHVCVPQZOCX-AFUMVMLFSA-N 554.562 5.807 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1OC 101366934 OGVBQNCKYWJIIR-XMMPIXPASA-N 521.367 5.294 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384788 GRBLADXJGMQUIX-WJOKGBTCSA-N 601.486 7.799 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101388980 JEVDYAGIZDMHDD-PMERELPUSA-N 581.556 6.149 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 101390627 AFVCZKOIJYBJCO-QFIPXVFZSA-N 571.869 7.698 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390927 USIKJFCWSBCXRR-SSEXGKCCSA-N 601.486 7.799 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1Cl 101391468 HBAVZTKTOHARNG-HSZRJFAPSA-N 574.258 6.982 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)c(OC)c1 101392242 UIRPYLANRYJVNU-VWLOTQADSA-N 561.388 5.958 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101393235 XHVMROUKKUHNQN-HKBQPEDESA-N 566.654 7.319 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1F 101399836 XYXHSQNGJHUQDU-ROJLCIKYSA-N 594.595 5.767 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594715 RWGBZVAQJQMFSS-INKHBPHZSA-N 523.976 6.470 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCc1ccccc1 101727342 ONKIMGWJNNMFEV-MUFRIFMGSA-N 538.094 6.336 50 10 KKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1OC 102935609 AOSINGNOEOZEMF-KQWNVCNZSA-N 532.662 7.024 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)/C(C#N)=C4\Nc5ccccc5S4)nc3c2)cc1 102956355 RGCQUNSPFAATEB-HKOYGPOVSA-N 550.643 5.251 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C4=NN(c5ccccc5)[C@@H](N)[C@H]4C#N)c3C)sc3c2CCCC3)cc1 103871576 NWVYKBFLVZHNGV-QQGAIFFOSA-N 599.764 6.803 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCC(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)CC1 150392122 YKIMQUUWCDXNNY-UHFFFAOYSA-N 662.398 5.420 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 150430554 YPNPVMWDMYVJKO-PCYMAAINSA-N 702.302 5.977 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433469 FOEUTUDQEJXUQK-MGBGTMOVSA-N 643.567 8.706 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150478079 OUJAXOQYGJDQMH-WJOKGBTCSA-N 684.403 9.495 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 150486447 CJLOCVFCRGKKCW-SANMLTNESA-N 643.976 8.876 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)cc1OC 206505366 QHBVISLIAYNWMF-CURGHARLSA-N 520.626 5.713 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(/C=C(/C#N)C(=O)OCC)c2)cc1OC 206694893 YZCQTDLAACTWHQ-REPVBDINSA-N 502.567 5.637 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C1=O 214291531 DFRXUEDQATYFGO-COEJQBHMSA-N 558.638 5.747 50 10 KKGE CCCCCCCCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214343723 KHHNIWAMJPYPFS-OWJYGESUSA-N 500.639 6.788 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc(Br)s2)c1 232483303 MDTZRIWJPXTBGN-NSHDSACASA-N 536.852 6.362 50 10 KKGE COc1cc([C@@H](Cl)c2cc(Br)sc2Br)c(OC)cc1Br 234989254 IIXQIONMVGCLRV-GFCCVEGCSA-N 505.453 6.381 50 10 KKGE O=C(CN1N=C(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccccc1)NN=Cc1ccco1 253531452 PMNQVPHCHGGBJR-MHZLTWQESA-N 594.469 6.264 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254606823 PKCIWGWKGAOWNL-UHFFFAOYSA-N 521.602 5.104 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(CSc2nc3ccccc3s2)cc1 254738448 YXUOFFSAEJQMMW-UHFFFAOYSA-N 518.667 7.501 50 10 KKGE COc1ccccc1-c1cc(C(=O)NN=C(C)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2n1 254759488 RLSRXJIDGBLLRY-UHFFFAOYSA-N 504.546 5.910 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254828868 WAMAMZKMJKEECP-UHFFFAOYSA-N 552.756 8.245 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc3cccnc13)[C@H]2Br 256019115 MIAYSQXQHRIANW-JVPBZIDWSA-N 531.086 5.859 50 10 KKGE Clc1ccc(I)c(C[C@H](CBr)Cc2ccc(Br)cc2)c1 405531640 MZXDKDPMOIYOOM-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE O=C([C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1 725239153 YTMVHTAFULWCHE-PMERELPUSA-N 633.180 6.136 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 725407013 XRKPBEDEWILADT-RUZDIDTESA-N 526.420 5.807 50 10 KKGE C[C@@H](CCCCl)OC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Oc2ccc(NC(=O)CCC(=O)O)cc2)cc1 825426651 JDHBDYLMKUUISL-KRWDZBQOSA-N 578.876 7.820 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1C#N 1084316496 PIMVFWVTPCBEPX-UHFFFAOYSA-N 504.340 5.418 50 10 KKGE Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=NNC(=O)c5cccc6ccccc56)cc4[N+](=O)[O-])sc3c2)cc1 1084414972 RHGYYMZFFDJBMD-UHFFFAOYSA-N 617.712 7.834 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc5ccccc5n3)CCC4)ccc21 1772750872 ASEICPLQWQGPOZ-UHFFFAOYSA-N 555.638 6.987 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(-c6ccc(C#N)cc6)cc5)c(C)c43)coc2c1 1772751942 MMHPMVCSNUVIID-UHFFFAOYSA-N 571.633 7.108 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1848436045 FFXHNCNNHASXCT-CCHCWMKHSA-N 988.212 11.054 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865690727 ZRKOWOBLCSHDME-SANMLTNESA-N 511.025 6.649 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865694466 VTSVLJGMAQCSFR-MUUNZHRXSA-N 541.051 6.674 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)c1O 1865696530 OSBZIMWLPSZTLH-OAQYLSRUSA-N 549.812 5.888 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc(Br)c1OC(C)C 1865696721 JKCKFWJCLVWQJX-OAQYLSRUSA-N 529.822 5.611 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701170 OFNSKOSORKUPKC-IBGZPJMESA-N 544.247 5.582 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704210 QCKKAYXTYLHAKZ-HSZRJFAPSA-N 547.398 5.830 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705351 SXJIPPYDHJRBOW-MHZLTWQESA-N 541.051 6.592 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705432 VVXKBMSTROFVRI-HHHXNRCGSA-N 550.615 5.661 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866747491 ZDAZOHNHDXTWES-IZLXSDGUSA-N 531.747 6.755 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866776881 PPZHYHSKRGTFTQ-URLMMPGGSA-N 539.632 5.993 50 10 KKGE CC1(C)COC[C@@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433895 UGDJZIDKLBNTGV-RUZDIDTESA-N 542.108 7.340 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)\c2ccccc2)cc1 1872753918 URTNNFRPMIRJOY-YOMIDHQQSA-N 508.643 7.868 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1scc(Br)c1Br 1923065565 DWAVNENYVWPBJD-YFKPBYRVSA-N 564.771 7.841 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(CCCC3)C2)c1Br 1924569145 QQWFZDSAAJCIDJ-VIFPVBQESA-N 521.938 7.442 50 10 KKGE C[C@@H]1CC[C@@](C)([C@H](Br)c2c(Br)sc(Br)c2Br)C1(C)C 1924609038 RBMKKFYITDRBTQ-LXORQNMDSA-N 537.981 7.934 50 10 KKGE Cc1csc([C@@H](Br)c2cc(Br)sc2Br)c1Br 1939883515 IGUNIGYRVQKYCX-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2083317417 GGIQGIXFMOWCKW-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Clc1sc([C@H](Br)c2csc3c(Br)cccc23)cc1Br 2115943811 ZSQUSNDLPMFJKY-LLVKDONJSA-N 501.490 7.626 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(C)c1I 2137641037 BSQFECTZFAHCFH-AWEZNQCLSA-N 514.426 6.808 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCC12CC2 2141468219 HPJBSGLJAREDMC-CPFSXVBKSA-N 536.327 7.597 50 10 KKGE CCc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2141469776 WVMXRQHMFAEQRG-CYBMUJFWSA-N 580.734 7.376 50 10 KKGE COCc1cc(Br)c([C@@H](Cl)c2ccc(Br)cc2I)s1 2142291264 JVZQTHGZWGOSFA-LBPRGKRZSA-N 536.454 6.352 50 10 KKGE COc1cc(C)c([C@@H](Br)c2cccc(C)c2I)cc1Br 2198738224 YCIBZDJOGICOOX-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2201881618 PPGZFDRQZXJMDX-RMUHFYJVSA-N 527.525 5.530 50 10 KKGE O=S1(=O)CCC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206396121 SMGGKXXBQDFKRB-LBPRGKRZSA-N 574.354 5.841 50 10 KKGE CCc1occ(C)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396785 AZNKXJWZAPTYBW-AWEZNQCLSA-N 550.310 7.529 50 10 KKGE Clc1cc([C@@H](Cl)c2ccc(Br)cc2I)c(Cl)c(Cl)c1Cl 2207275063 IFIGTRVGZRBYAH-JTQLQIEISA-N 545.256 7.996 50 10 KKGE Clc1cc(I)c(OCCCCCI)c(I)c1 2211187402 TWJFWGBNJWJRBQ-UHFFFAOYSA-N 576.381 5.533 50 10 KKGE Fc1cc(F)c([C@H](Br)c2csc(I)c2)c(F)c1Br 2220498224 LNCFSDICJGRJRC-SECBINFHSA-N 511.926 6.017 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2sc(C)c(Br)c2C)cc1Br 2226086415 OVNQOHGTTWIXMR-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)c(C)c1Cl 2232531247 ZFUPDGYZPNOBIF-AWEZNQCLSA-N 532.416 6.947 50 10 KKGE C[C@H]1[C@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234072895 ZJBOAUGUISOZJN-IFXJQAMLSA-N 511.689 6.178 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccccc1Br 2272738661 IGYUDIWIFKLXJX-LLVKDONJSA-N 519.803 6.737 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2cc(Br)c(F)cc2Cl)s1 2285986258 SKFYIPTWVMWHBK-GFCCVEGCSA-N 507.444 6.696 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1OC(=O)c1cccc2ccccc12 2295459795 YZQCYGRFKAWMFA-UHFFFAOYSA-N 585.410 6.464 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296642500 XPLYRNXFDKVZMT-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Fc1c(Br)cccc1[C@@H](Br)c1sc(Cl)cc1I 2300953521 KHJRARFTCASTSE-SECBINFHSA-N 510.391 6.392 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(F)c1 2313567348 JEESAGIVMXXMLS-UHFFFAOYSA-N 550.428 5.432 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc(Cl)cc1Cl 2313571416 VXBPUENHMATWGW-UHFFFAOYSA-N 576.307 8.552 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)cc2)cc1 2314414995 TXZPETWBOQIAOG-UHFFFAOYSA-N 524.624 6.650 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(C)cc3)cc2)cc1 2314415007 UNYILSQSUGGWAZ-UHFFFAOYSA-N 554.650 7.371 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314489795 VQPDAWFSLOWSDE-UHFFFAOYSA-N 528.037 5.778 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2314571983 PXOUGMFVKLWYRE-UHFFFAOYSA-N 519.228 7.837 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314591912 HOTLZIWHHDJZFS-VWLOTQADSA-N 502.039 6.330 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 2314592497 VNRUPPVQBRTHIX-MHZLTWQESA-N 511.647 6.103 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593444 MZLQIJRVAVUZSK-HSZRJFAPSA-N 540.472 6.452 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314618440 NQJJMCIEJBUQOJ-UHFFFAOYSA-N 621.137 7.179 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314619923 HDPMVBWQOFOYNQ-UHFFFAOYSA-N 594.646 7.050 50 10 KKGE Cc1ccc2nc(-c3ccc(NC=C(C#N)C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)sc2c1 2325384899 RGXVRVAAYWLEDR-UHFFFAOYSA-N 512.944 7.402 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3cc(Cl)cc(Cl)c3OC)cs2)cc1OCC 2331364192 QCXMIDFCXBUDJC-UHFFFAOYSA-N 519.450 7.653 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)CC1=O 2331412974 XZJVGFRKNLLZSK-SFHVURJKSA-N 519.623 5.553 50 10 KKGE COc1cccc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1OCc1cccc(C)c1 2331414352 ZNJSXOHOIVHDPL-UHFFFAOYSA-N 514.650 8.437 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cnsc2Br)c1Br 2339679462 LWYVDRUWGAUIFC-SECBINFHSA-N 534.893 6.232 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)cc1I 2360438761 XUBUGNGZMISDHF-NSHDSACASA-N 617.703 7.746 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)c1Br 2362220238 HKBXVMOUAQTPNV-NSHDSACASA-N 662.154 7.856 50 10 KKGE Cc1nc(Br)c([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)n1C 2362489972 NSRBDXBIHQHJIA-VIFPVBQESA-N 509.826 6.137 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2365595013 FQQHKZMOTIWVNT-AWEZNQCLSA-N 550.843 6.853 50 10 KKGE BrCC1(Cc2ccc(I)c(Br)c2)CC2(CCCCC2)C1 2377333238 XODABHUKPDMSMX-UHFFFAOYSA-N 512.067 6.722 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 1888972 WVIUMYYSMPDPNZ-BSSRNLCFSA-N 550.453 5.373 50 10 KKGE Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)c(Br)c1 20075515 FNPRXRAYTZUUIF-KKMKTNMSSA-N 518.456 5.346 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 38606762 CVVNANLEKIEZPF-DHRITJCHSA-N 503.537 5.174 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38649890 WRJJONDRZXXKTI-HKBQPEDESA-N 514.625 6.940 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5F)ccc43)cc2)cc1 38686301 VYMOTNJJSPXOGH-LJAQVGFWSA-N 506.533 6.151 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1ccc(Cl)cc1Cl 38688267 PVNJJJCGLHQMBM-QHCPKHFHSA-N 505.313 5.537 50 10 KKGE COc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)cc1 40813803 WEFZSVFTRWKFLW-FDAWAROLSA-N 519.907 5.992 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814558 DRJRRYUIWIESBF-ZBMKCLDASA-N 518.545 5.016 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 58891630 CGLNDRBFHPHGJY-TYNJROEQSA-N 511.416 5.391 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1F 58895352 WCNTZQIPPVCLBL-DLOXVRGRSA-N 534.628 5.895 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 100238075 WJWOZAZKEYAGHY-SOZKBHHHSA-N 571.501 6.672 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCC(Cc3ccccc3)CC1)[C@@H]2Br 100935259 PCYCEIGAOGPNNM-WTNAPCKOSA-N 562.184 6.154 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OC 101372167 UYTLLKJRVQJPDE-DIRGTLEOSA-N 554.643 6.500 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101372237 NDMJWHWWOPKRFU-KEEVHDRGSA-N 560.622 6.384 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 101377620 RBMVJZXIBPZDHJ-HKBQPEDESA-N 538.688 7.771 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1 101377673 AIEFTUGDCBPYCM-MUUNZHRXSA-N 500.570 6.612 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381272 CLDLSJZMXUBPGJ-YTTGMZPUSA-N 593.466 8.163 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101392809 JZDYEUQGINTSGP-JOCHJYFZSA-N 587.868 7.316 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc21 101393566 WWYBZWDLGORLDI-DEOSSOPVSA-N 545.345 5.001 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)c(C)c2cc1C 101398658 SZMIZAQBODWFMR-JGCGQSQUSA-N 574.608 7.514 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl 103877855 DLNVYIDAZLITPO-FDALDRLYSA-N 598.530 8.501 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)sc2c1CCCC2 103889210 BWHYRSHWFLTNOM-QGOAFFKASA-N 542.488 7.064 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)nnc1-c1cccnc1 104768911 SEYYVQJTQQVGQB-MUFRIFMGSA-N 563.481 5.110 50 10 KKGE O=C1OC(=O)c2cc(Oc3cccc(N4C(=O)c5ccc(Oc6cccc([N+](=O)[O-])c6)cc5C4=O)c3)ccc21 105685034 YTOGWLAKZBQTGJ-UHFFFAOYSA-N 522.425 5.291 50 10 KKGE O[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1 106804776 MPYFOPBFHMGXPI-GSGZQRTFSA-N 544.615 6.780 50 10 KKGE C[C@H](Br)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)[C@H](C)Br)cc2)cc1 111911777 RJDVNPRXIDAMFH-ROUUACIJSA-N 586.317 5.423 50 10 KKGE BrCC(CBr)(Cc1ccccc1Br)c1ccc(Br)cc1 118878616 NCIIUPSDANOCRB-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE FC(F)(F)c1cc([C@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 124625405 BWPCCURUKMMDIN-JTQLQIEISA-N 513.398 7.383 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 150428848 LAXDTMFSCCYUJM-XLBBBYAWSA-N 634.321 5.882 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 162431933 KTKXHPYMVWWYIV-INYRYZQDSA-N 690.995 6.446 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 198741445 MLMCQKBTVNKEDB-MWBNBJEGSA-N 656.360 8.107 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 214368980 MCIKPHKTTQLZEZ-IMRQLAEWSA-N 589.608 5.300 50 10 KKGE Cc1ccc(P(c2ccc(C)cc2)c2ccccc2CN(Cc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)[C@@H]2CCCC[C@@H]2N)cc1 215765824 NREBRZNMKPGZHZ-CRCOQUFZSA-N 718.906 8.709 50 10 KKGE Cn1c(SCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nnc1-c1ccccc1 254396722 BHORVZPONJDGHW-UHFFFAOYSA-N 528.041 5.231 50 10 KKGE C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 254515422 CRAHLYONVLGEJM-FGZHOGPDSA-N 541.677 5.533 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)ccc1OCc1ccc(C)cc1 254591676 ASQCEAXSIADIKU-UHFFFAOYSA-N 527.581 5.198 50 10 KKGE COc1cc(C=NNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc(Br)c1OC(C)C 254806410 QOYAKOYTOZVWRS-ZDUSSCGKSA-N 508.463 5.486 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c1 254866429 HWXMJDCYTVCDMV-UHFFFAOYSA-N 558.682 7.079 50 10 KKGE COc1ccccc1P(c1ccccc1OC)c1cc(C(C)(C)C)cc2c1Oc1ccc(C(C)(C)C)cc1C2(C)C 642814271 UBRFEYSNTOVDHZ-UHFFFAOYSA-N 566.722 8.489 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)c2C)c1 725400128 XDWQLALVBFDNEO-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 725423169 ZXQBHENTVUTUBM-AREMUKBSSA-N 532.438 5.592 50 10 KKGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34C=NNc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 1082754833 NBJRFADZXIXCDP-VSKVHUNDSA-N 672.642 5.353 50 10 KKGE O=C(NN=Cc1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1083888150 FITQJQLPNJGCDT-UHFFFAOYSA-N 554.306 6.447 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)cc1 1083981428 DGHOUEUPRRGQCT-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE COC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc(/C(C)=C\C#N)c(C)c2C(=O)OC)sc(/C(C)=C\C#N)c1C 1084114591 HYBUVFKNLUWBCY-NFLUSIDLSA-N 582.704 5.991 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 1084144712 PJAOJUZGZWDLIJ-XQNSMLJCSA-N 591.462 5.591 50 10 KKGE CC(CC(C)(C)c1ccccc1)=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1084156978 ZVQAFABRVKPUKN-UHFFFAOYSA-N 546.520 6.357 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)c(I)c1)c1cc2cc(Br)ccc2o1 1084267155 DBOKAZGOIKGISL-UHFFFAOYSA-N 625.260 7.296 50 10 KKGE CCOC(=O)c1nn(-c2ccc(C)cc2)c(=Nc2ccccc2SSc2ccccc2N=c2sc(C(=O)OCC)nn2-c2ccc(C)cc2)s1 1084355546 IJGWLSCKEIBZHC-UHFFFAOYSA-N 740.958 8.415 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 1084427070 KCCPSVMJJPEOPO-JOCHJYFZSA-N 684.268 5.137 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084468033 LXLUOSHEKKQPLX-LZYBPNLTSA-N 566.666 7.543 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084525399 PHWXCALQNKISKH-KGENOOAVSA-N 571.302 6.591 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(C)c1 1084622768 UBHKNJNKNDPGHU-NDEPHWFRSA-N 516.638 5.674 50 10 KKGE CN(C(=O)Oc1ccccc1)[C@H]1Cc2cc(F)ccc2C1=NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1088692085 YIVCULFJXAOEHK-NRFANRHFSA-N 516.451 5.306 50 10 KKGE O=C(CCCCC(=O)NN=Cc1cccc(Oc2ccccc2)c1)NN=Cc1cccc(Oc2ccccc2)c1 1565517773 BOBQVMRWYUMUOZ-UHFFFAOYSA-N 534.616 6.432 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750135 VBQDSKXGVJVAAS-UHFFFAOYSA-N 520.800 6.036 50 10 KKGE CCCC[C@@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1848665425 HOLIBVBKAUVEFC-TZPWHSDYSA-N 563.705 9.893 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682790 XQRXFVPBCXLGJB-GDLZYMKVSA-N 526.640 7.217 50 10 KKGE CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865685119 FWHASDASFLEQTL-XMMPIXPASA-N 501.417 7.188 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OC(C)C 1865697551 WHPHIKRDWYMHBY-LJQANCHMSA-N 504.896 5.558 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701010 JRQLMDLDSCISBU-MUUNZHRXSA-N 575.496 6.996 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702055 LLNRNKFVPDHHHV-QHCPKHFHSA-N 504.924 5.757 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705959 KPBCTKVAWQLVIT-MHZLTWQESA-N 524.596 5.747 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865710410 XMJMDOFZKLIMOD-JOCHJYFZSA-N 518.360 6.032 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865710427 XWGWCJPOGCKFFD-XMMPIXPASA-N 533.415 6.141 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)OCCc2ccccc2)c1C 1866128853 PNGZCQPIVYBJQA-HMMYKYKNSA-N 567.461 5.941 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](NC(=O)Cc2csc(COc3ccccc3)n2)c2ccccc2)cc1 1866590663 DRSHDCNZOCHQHJ-AREMUKBSSA-N 514.632 5.334 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2nc(C(C)(C)C)n3ccccc23)C(=O)Nc2ccc(SC#N)cc2)cc1 1866873386 SWAYDSCAIOYPJH-XMMPIXPASA-N 555.660 5.110 50 10 KKGE CSCC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866997541 SVGOAGHWUOGPOO-LEWJYISDSA-N 510.512 6.183 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)C1 1868300895 JULWWLFUTHMMPT-OAQYLSRUSA-N 507.663 7.498 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@H]3c3cn(C)c4ccccc34)n2)cc1 1868320440 KKXJRBOTYDNWSY-GDLZYMKVSA-N 545.672 5.938 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)O[C@H](c4ccc(F)cc4)C3)n2)cc1 1868528149 NXRGHFXVEZTNOQ-DCFHFQCYSA-N 541.652 6.965 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2C1=O 1872744234 ZCZDSONIFSWHFL-RFBIWTDZSA-N 521.598 6.059 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cc(C)ccc3C)C4=O)n2)cc1C 1872744913 OLCLJAZQWGIPNN-VYIQYICTSA-N 521.598 6.494 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)c1C 1872754477 VCBXCSHEIOOFQN-YOQQSOLJSA-N 520.698 8.864 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Br)s2)c1Br 1922934312 FIKBPABZELVWMY-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Clc1cc([C@H](Cl)c2sc(Br)cc2Br)ccc1I 1922945962 MEXLGCHLICEFMF-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CC(C)C1CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924569599 XPYOBWTZEOUFSO-IEIXJENWSA-N 509.927 7.154 50 10 KKGE Brc1cccc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924569780 ADYCITRJKLYURK-QMMMGPOBSA-N 647.644 8.045 50 10 KKGE C[C@H]([C@H](Br)c1c(Br)sc(Br)c1Br)C(C)(F)F 1924579346 DEUBMQGSQIAJHP-WUJLRWPWSA-N 505.842 6.763 50 10 KKGE CCCC(CCC)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583858 PUZCBEVQTJUMBN-SECBINFHSA-N 511.943 7.688 50 10 KKGE Cc1c(Br)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924594172 KVLPAKVVVNZZIE-SNVBAGLBSA-N 538.324 7.435 50 10 KKGE Cl[C@H](c1sncc1Br)c1c(Br)sc(Br)c1Br 1924616473 PCOTZCISVPZCCT-YFKPBYRVSA-N 531.314 6.583 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Cl)c1ccc(I)c(Br)c1 1925622162 PEDRDRCTPSEJEM-MRVPVSSYSA-N 561.291 7.513 50 10 KKGE CO[C@H](CCCC[C@H]1CCSS1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952232077 WZCWLBNSKUQGHD-PKKBDPGCSA-N 501.670 5.707 50 10 KKGE CCC(C)(C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025778969 BGUKWSOHJMIGDY-NSHDSACASA-N 556.756 7.609 50 10 KKGE C[C@@H]1C[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CO1 2085494039 JTXJHIQLDSWJQW-DGAHNEANSA-N 570.739 6.598 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3CCC[C@H]32)c1Br 2085496309 VVWLVSSDPJEXAC-FITKCZHHSA-N 566.751 7.219 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2ccc(CC3CC3)s2)c1 2087640112 PGZZUDZLXOPGHV-HNNXBMFYSA-N 512.048 6.552 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2cc(Br)ccc2Br)c1Br 2138865057 PZNFSJMGBOQGHZ-CQSZACIVSA-N 532.295 7.373 50 10 KKGE CCN[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2141467823 CPPSZOZNURNMKQ-RBEJAIPDSA-N 539.331 6.405 50 10 KKGE C[C@@H]1C[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141468900 OZOZAXQZZWLWJH-FWXDICJISA-N 540.315 6.832 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141472761 HWCQTWPYFHHOHB-SNVBAGLBSA-N 661.671 8.353 50 10 KKGE Brc1ccc([C@@H](Br)Cc2ccc3c(c2)CCO3)c(I)c1 2207265655 UMOLYBRDTYHCBB-AWEZNQCLSA-N 507.991 5.667 50 10 KKGE CC1(C)C[C@H](NC(=O)c2ccc(Br)cc2I)C[C@H](Br)C1 2207270550 BWNYIVFWWFBMCY-WDEREUQCSA-N 515.027 5.126 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2218655010 LSULJKRDYCCWIJ-LJQANCHMSA-N 575.776 7.954 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(C)c1Br 2227356871 SZFCNWVNGHUOBH-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE CCc1cc([C@@H](Br)c2cc(Cl)ccc2I)sc1Br 2256050930 DFNYEDQGKUYFDI-LBPRGKRZSA-N 520.455 6.815 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)cc1C 2283567312 AQQUPMXGLWOPNI-OAHLLOKOSA-N 530.425 6.508 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)cc(Br)c1 2288495879 AEQQBQYDULEJGV-LBPRGKRZSA-N 554.248 7.343 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521577 XONGSTMMJRZLLX-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 2313568618 XBWDFAYMZLSXAI-UHFFFAOYSA-N 601.328 6.599 50 10 KKGE N#CC(=Cc1cn(CC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1)c1nc(O)c2ccccc2n1 2314433939 XSOILUMNMLTLGD-UHFFFAOYSA-N 506.953 5.555 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(I)cc3)cs2)ccc1OCC(=O)Nc1ccccc1 2314489943 UNPIWQQMCQQXMO-UHFFFAOYSA-N 593.446 6.505 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(C)c(C)c1 2314592525 WQOGZFMDAJOQBB-RUZDIDTESA-N 552.483 6.684 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593671 QUEFMYLAIMHSJD-MUUNZHRXSA-N 509.675 6.170 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314618182 IRBNCDYDTJNULL-LJQANCHMSA-N 516.557 5.248 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314620321 MYSWVSDRNMQWME-UHFFFAOYSA-N 645.546 8.218 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2314621115 ZANGGNANFJEMPL-UHFFFAOYSA-N 612.111 5.235 50 10 KKGE COc1cc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCC(=O)Nc1ccc(C)cc1C 2331051559 LAQUECIXWFWGHK-UHFFFAOYSA-N 515.522 5.073 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336047044 JCLURDSLEIIQLM-OAQYLSRUSA-N 541.077 7.284 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cscc2Br)c1Br 2339654121 POTOAAJOOLNAME-NSHDSACASA-N 533.905 6.837 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2sc(C)cc2Br)c1Br 2365229866 FAGCKZXGUCVZDB-GFCCVEGCSA-N 503.481 6.989 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(Cl)cc2I)c(F)c1Br 2365596694 WXXPAGUQWFMWTJ-LLVKDONJSA-N 540.342 6.609 50 10 KKGE COc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c1 13748898 ZMYPQPRBRNTIIK-RDKICWGTSA-N 504.011 5.722 50 10 KKGE CC1CCN(C(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)CC1 35343239 WUVWXBHZCXYDQG-ARCUFYBBSA-N 500.451 5.678 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684674 QZTJOLINGLJRRD-LJAQVGFWSA-N 512.606 6.338 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 40864586 PYEBTKWFHZULPR-SHVSDHADSA-N 512.993 7.104 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)CC[C@H](O)c3ccccc3)c2C)sc2c1CCCC2 58888401 RQWXHUORBQWZBQ-RSZKVFELSA-N 507.656 5.175 50 10 KKGE Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 59304056 XOGYYRPURHDICZ-BIZUNTBRSA-N 503.558 6.483 50 10 KKGE CCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)CCl)[C@H]2CCCc3ccccc32)cc1 97915114 VUYIECAVJCFEGJ-LMSSTIIKSA-N 511.106 6.501 50 10 KKGE N#CC(/C(O)=N/c1ccc(Br)cc1)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccccc1 97968655 LXTHIEOZYOVCKH-KVHSSYOWSA-N 606.851 7.836 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)c3ccc(OCCc4ccccc4)cc3)cc2)cc1 100165410 NUWRSQNVMLXWOU-UHFFFAOYSA-N 594.737 5.807 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc2ccccc12 100228226 QFEZDKNALXYGDM-QGFINPQDSA-N 608.476 6.386 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc2ccccc12 100238704 RYMOLJNXWWRVBY-ORXHDORNSA-N 566.698 6.909 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)oc12 100953309 YXWDALBMSUCTNY-OEAKJJBVSA-N 560.429 6.395 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)OCC(=O)c1ccccc1)[C@@H]2Br 100959418 SISMSKWECWEIMA-BVGQSLNGSA-N 523.059 5.098 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 101021930 LDIVVZIVZRGJGE-SFQUDFHCSA-N 570.976 8.070 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1F 101339202 SFCRHFJACJIIIR-OVVQPSECSA-N 606.654 5.929 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101369080 HLXYBFPQKXJKLN-AKJBCIBTSA-N 549.421 5.611 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383170 XYCRUZXXYKDUBF-SSEXGKCCSA-N 617.883 6.884 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383583 VPVOQGZAVSZZCF-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1Cl 101385797 VFOMVYYOHVCVPT-QPHCHLROSA-N 601.030 6.658 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386889 YAFWWSGQIAKNJB-PPGPUPIYSA-N 594.639 6.567 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1Cl 101388230 FGDCMWIHKOFVJB-XIFFEERXSA-N 611.094 7.137 50 10 KKGE O=C(NNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 101490056 MRMYAJXWYYNSDU-UHFFFAOYSA-N 566.359 5.008 50 10 KKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 101761586 ZIPKMPLTHSVJEK-GZTJUZNOSA-N 536.806 5.573 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(=O)OCC)c1C 102547796 VPRKZHDAICBEPL-FOWTUZBSSA-N 524.580 5.584 50 10 KKGE COc1cc(OC)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1OC 128296129 KTZUWFQAHFWMOQ-CYBMUJFWSA-N 501.034 5.783 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 164628748 OSKYTCIRJZNLCN-PNQUVVCRSA-N 641.143 8.006 50 10 KKGE CCCC[C@@](C)(C/C=C/[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C 195936152 SNUSPEKJEHUDOM-RAEKPPPVSA-N 568.988 8.842 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]2OC(=O)C[C@@H]21)(c1ccccc1)c1ccccc1 196917252 FTCJOOMHYRJOAM-KMKAFXEASA-N 590.792 6.407 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)cc1 205780048 TWXKEWMGXGHRKE-MLEMOKSJSA-N 618.715 5.081 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1 214257232 YMDVYOGMRVVMFO-GYMPCLOZSA-N 536.676 6.889 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 214385939 IXURFPMWTCNRGB-YKQZZPSBSA-N 600.675 6.548 50 10 KKGE COc1ccc(Cl)cc1[C@@H](Br)c1cc(I)ccc1Br 234859625 TXLGXSOBWJAOBP-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Br)cc1Cl 235018852 UDFACGLRXRLEJF-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE COC(=O)[C@@H](Br)C1(Oc2c(Br)cc(Br)cc2Br)CCC1 312795334 HZYVWHOTGGPRGO-LLVKDONJSA-N 535.852 5.212 50 10 KKGE FC(F)(F)[C@H](Br)COc1c(I)cc(Cl)cc1I 379947401 ZFQHRYUAWUMAGS-SSDOTTSWSA-N 555.297 5.254 50 10 KKGE CC(=O)O[C@]1(C(=O)C(Br)Br)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 504332815 FXRCFNRZJNQXRW-IYUJAYFOSA-N 516.270 5.115 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)[C@@H]1O[Si](C)(C)C(C)(C)C 616588848 VEOSXPPWPQSXBU-RFFIRDTKSA-N 904.134 10.288 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)cc1F 721608292 GDZAWODGJJVTLK-CYBMUJFWSA-N 505.897 5.955 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 725381953 GXPOQNOIIUYOTR-RUZDIDTESA-N 511.018 5.680 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1083901487 QKLMUVIHNMDZHP-FYJGNVAPSA-N 585.318 8.832 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)c(C)c2)cc1 1083988375 IDPRIONYHIKARV-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1F 1084156820 PRONESIAIDGTFT-UHFFFAOYSA-N 673.526 7.938 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Br)cc1 1084217056 ZTUZEDGESPJXMS-MHZLTWQESA-N 581.507 6.128 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Br)c1 1084257414 PEWLGEOBLQQQAE-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE c1ccc(-c2nn(-c3ccccc3)c(=NCCSSCCN=c3sc(-c4ccccc4)nn3-c3ccccc3)s2)cc1 1084271709 YUTCWEXHYQVNRR-UHFFFAOYSA-N 624.886 7.398 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)Cn1nnc2ccccc21 1084283285 ZABOBMLJXCLVQG-UHFFFAOYSA-N 538.700 5.548 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4cccc(Br)c4)c3C)sc3c2CCCC3)cc1 1084334534 DWRVLSMQYHVRDL-LFVJCYFKSA-N 570.556 8.422 50 10 KKGE CCCCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 1084335953 WKXUGEOCDRKNNS-UHFFFAOYSA-N 514.047 5.249 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 1084362616 CXXBVVOWQLHTPF-UHFFFAOYSA-N 598.488 7.229 50 10 KKGE C#CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 1084410623 LNBGLVXDWGPKMY-MDWZMJQESA-N 527.145 5.164 50 10 KKGE O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 1084591214 JDULQDIUVOUADB-UHFFFAOYSA-N 503.849 6.065 50 10 KKGE COc1cc(C=NNC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C 1772721928 IKZVEZNFENVAFC-YWZLYKJASA-N 551.879 6.824 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Br)cc1)CCC2 1772743454 BGPZFIZIZLRBCI-UHFFFAOYSA-N 578.250 5.203 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747287 FWCHZJKOIAVHLD-UHFFFAOYSA-N 504.801 5.949 50 10 KKGE O=C(COc1ccc(Br)cc1)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752257 GKVUVBUFIMGAII-UHFFFAOYSA-N 577.660 5.311 50 10 KKGE CCN(CC)C(=O)COc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755022 HDZSKKQLRUDLMU-UHFFFAOYSA-N 625.998 5.724 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1[S@@](C)=O 1775963529 MEIKKMCUTRNHMT-UDPAYPIGSA-N 679.405 5.437 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]1O 1848434936 ZGCNMHQDCCSXMS-HHJCYZCLSA-N 663.406 6.422 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)ccc1O 1865681559 QLQUFMMFAASSJT-SFHVURJKSA-N 525.314 5.579 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865684192 NAEXKNFMWGKZDT-IBGZPJMESA-N 504.215 6.112 50 10 KKGE Cc1ccc(O)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865687059 IJBMTIFLXBSIKF-QHCPKHFHSA-N 503.389 6.137 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865687101 JLCSEWIELCTDQB-VWLOTQADSA-N 541.479 6.927 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OCC 1865688425 RSEJKSXOOQIYDZ-QHCPKHFHSA-N 509.404 5.349 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865690959 FXEFOJIIMURZPA-QHCPKHFHSA-N 544.549 6.275 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865696298 YYQKCTVETALVBC-JOCHJYFZSA-N 557.359 6.995 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCCCc1ccccc1 1865696519 GSIOGPCYXDQNCV-SANMLTNESA-N 578.566 6.328 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697113 NLMIOXBTNSATCI-JOCHJYFZSA-N 557.876 5.925 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698307 PSLXTDBVTSCYMW-QHCPKHFHSA-N 571.903 6.314 50 10 KKGE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865703604 CJZIPENLXCXWJS-RUZDIDTESA-N 517.416 6.539 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867058710 ZSNSSZMKZMMUAH-GDLZYMKVSA-N 534.616 6.527 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178007 BJTDIKHEJVGALA-MHZLTWQESA-N 540.645 5.400 50 10 KKGE CC(C)C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867202419 RHULECBGWMBEHU-IZZNHLLZSA-N 550.522 6.518 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3c3nc4ccccc4s3)nc(Cc3ccccc3)n2)cc1 1868207054 FAZDGZKBFXHUON-DEOSSOPVSA-N 520.687 7.335 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n1)[C@@H]2CC(C)C 1868414966 RQOYWVWBNZWYNT-MUUNZHRXSA-N 540.136 8.572 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccccc4NC(C)=O)CC3)n2)cc1 1868528339 QSZSNXUSCZBQMK-UHFFFAOYSA-N 565.703 6.144 50 10 KKGE O=C(COc1ccc(C(=O)NCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1873496071 AGPZYXJBDPTNOS-HNSNBQBZSA-N 528.008 5.378 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2ccc(I)cc2)s1 1900919325 MGSVDEHRVVIVLN-JTQLQIEISA-N 539.401 6.095 50 10 KKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C(C)C)c1Br 1915310587 YFUTURYAXRLMKM-MRXNPFEDSA-N 509.329 5.738 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2037838756 HAYVDHBKYABBBI-CCQAGBJMSA-N 645.174 11.764 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OC(=O)c1ccc(OC)cc1 2053614327 LZYMZCJJJFESLF-UHFFFAOYSA-N 647.809 6.025 50 10 KKGE CC1(C)[C@@H]2CC[C@]1(C)C(=NNC(=O)CCCCC(=O)NN=C1[C@H](Br)[C@@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br 2059855147 JIIWCVQGWRYMIH-NITLHUORSA-N 600.440 5.930 50 10 KKGE COc1ccc([C@@H](c2cc(OC)c(OC)cc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)cc1 2080759569 XZIIIQZBOIATGK-OUXKMDJLSA-N 575.711 5.954 50 10 KKGE CCC(F)(F)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085496944 YUEJVCSYTSYQMH-SSDOTTSWSA-N 578.709 7.608 50 10 KKGE COC1=C(c2c(P(c3ccccc3)c3ccccc3)cc(OC)nc2OC)C(P(c2ccccc2)c2ccccc2)=C[C-](OC)N1 2086848025 PGODGFRUTYRVGC-UHFFFAOYSA-N 645.656 5.928 50 10 KKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)C1CCCCC1 2123371589 ZXRNAHLGJNIAFY-UHFFFAOYSA-N 501.284 5.868 50 10 KKGE C[C@]1([C@H](Cl)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121874 CULGNRIOCHMPCN-KCJUWKMLSA-N 501.456 7.531 50 10 KKGE Cl[C@H](C[C@H]1C[C@@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2141467761 BUYHTGAYEBCVFB-SOCHQFKDSA-N 536.327 7.453 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCCCC1 2141478044 VUWDXDFXOQMLSR-AWEZNQCLSA-N 538.343 7.987 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 2154367831 XMDSXEACYMKXDZ-MJGOQNOKSA-N 512.717 6.346 50 10 KKGE C[C@H]1C[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206398826 ZJQYPKGXIRYNTO-BSFVXNEUSA-N 598.793 7.376 50 10 KKGE Cc1cc(C)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206403129 GTHDOOZOQKVCJP-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(I)ccc1Br 2206562161 AOCSPXBQLNCCFH-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE FC1(F)CC[C@H](c2sc(Br)c(Br)c2Br)[C@@H]1Br 2212201244 VCRJPZADPAWETC-NFNCENRGSA-N 503.826 6.312 50 10 KKGE COc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)cc1C 2227737888 JOQRDOSJYYALPM-NSHDSACASA-N 533.905 6.837 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)Cc1ccc(Br)cc1Cl 2229140931 PAXMOQFCKPGCMB-LBPRGKRZSA-N 518.389 6.525 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OCc2cc(Br)ccc2Cl)C1 2245930665 KTWMGDIUWNXGEN-ZIAGYGMSSA-N 516.601 5.042 50 10 KKGE CCOc1ccc([C@H](Br)c2c(F)cccc2I)cc1Br 2282892173 AVEKBHXJYWSOEU-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE COc1c([C@H](Br)c2cc(Br)sc2Br)cc(Br)c(C)c1C 2284584963 CNMWBUGMQBHPJX-LBPRGKRZSA-N 547.932 7.145 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(Br)c1OC(=O)c1ccc(OC)cc1 2295459658 KPDMDEFSSJTYLI-UHFFFAOYSA-N 596.390 5.538 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1 2313566906 DCQVIRASXINHJO-UHFFFAOYSA-N 668.373 6.617 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313568791 YSAOIBAILJWJII-UHFFFAOYSA-N 590.474 5.381 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(I)c2)cc1 2313568935 ZIHCZANUHAKPTL-UHFFFAOYSA-N 652.124 7.249 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1ccc(OCc2ccccc2)cc1Br 2314453194 UIOQRZSIPNTMIC-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314478204 JQMLLJHOMKJBNM-UHFFFAOYSA-N 527.024 5.831 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)c(C)c2)nc2c(C)cccn2c1=O 2314532426 IZWGDZNMCGEPOM-UHFFFAOYSA-N 500.942 5.311 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591815 FMHIJAYIAGQESL-RUZDIDTESA-N 518.038 5.976 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593889 VOEKGRPSBSFWDD-SANMLTNESA-N 516.066 6.206 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314616726 IJFZLGKKYQLEMG-UHFFFAOYSA-N 574.662 6.172 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Br 2314616889 MEDZHIXNXALOAN-UHFFFAOYSA-N 653.533 6.163 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 2314618445 NRBZKSHLYSAXAS-MGBGTMOVSA-N 620.709 7.043 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 2314755234 ZYZBGSNOGHNDGX-UHFFFAOYSA-N 522.557 5.553 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C(=O)OCCOc2ccccc2)c1C 2329703341 DMTBJFAACQCXAG-UHFFFAOYSA-N 564.616 5.032 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 2331276426 VKSGUHAONIWTJH-UHFFFAOYSA-N 518.551 5.376 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)cc1Cl 2331397511 KIGTWDCBRIQROK-WMLDXEAASA-N 514.434 6.528 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1OC 2331464385 IUKLVMHNJFXDHL-UHFFFAOYSA-N 510.659 8.634 50 10 KKGE Cc1cc(I)c(Oc2cccc(Br)c2CBr)cc1Cl 2336551055 LNJVBFBYZUYIRD-UHFFFAOYSA-N 516.398 6.703 50 10 KKGE C[C@@H]1CCC[C@](CI)(OCc2cc(Br)cc(Br)c2)C1 2337095564 BYNVNWZTGFILOM-ABAIWWIYSA-N 502.028 6.112 50 10 KKGE CC1(C)CC[C@@H](Br)[C@@H](Cc2ccc(I)c(Br)c2)CC1 2349812215 WOYMURLGBBADGZ-CHWSQXEVSA-N 500.056 6.576 50 10 KKGE Brc1cc(I)cc(O[C@@H]2C[C@H](Br)C23CCCCCC3)c1 2364107722 VIIRSOCBRHEJGB-LSDHHAIUSA-N 514.039 6.309 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1I 2365227614 HOPRHGWKBIVLHN-CYBMUJFWSA-N 576.867 7.056 50 10 KKGE Cc1cc(Cl)c([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)c1 2381264175 BGCWYRVIJZBCRP-GFCCVEGCSA-N 501.871 7.506 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)N/N=C\C(Br)=C\c3ccccc3)n2-c2ccccc2)cc1 4459092 IADPHFACCTWFTQ-CJBNVOHASA-N 548.466 5.573 50 10 KKGE CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)cc2OCC)cc1 34988358 WMRPKMNORCCGJR-HMMYKYKNSA-N 510.550 5.214 50 10 KKGE Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(Br)c1 35362066 NVEMGFKTKJGSRB-BHGWPJFGSA-N 506.194 5.618 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 38655713 MYFCKISSRYQSHG-QHCPKHFHSA-N 501.753 5.849 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC 38660234 WIPHZEYICPYZJN-MUUNZHRXSA-N 514.578 5.710 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 50568381 DAUIPMUKUYCUDJ-ZCQLHAAUSA-N 507.377 6.348 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914591 ASYPZNDOOOHHSS-AREMUKBSSA-N 505.030 5.381 50 10 KKGE CCOCCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)[C@@H](Cl)c3ccccc3)cc2)n1 98018073 KXOMJASMZPPELK-QHCPKHFHSA-N 544.961 6.287 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212005 GBEWUFDWQZVMSW-UHFFFAOYSA-N 538.225 5.217 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)[C@@H]2Br 100869264 QDXKTKIHEOJWDQ-XPGWFJOJSA-N 583.590 5.674 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 101113185 XFTBWXQTHBVRMG-OCSSWDANSA-N 535.320 5.487 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCC)C(=O)C(C#N)=C2C)c1 101333082 NSYSQTUNBWLZME-ZXVVBBHZSA-N 508.622 6.111 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101338849 GNAOQJKNQILMFX-PCLIKHOPSA-N 507.550 5.372 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1 101369474 UUVITZVZVUMTTM-HKBQPEDESA-N 532.596 7.095 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379033 MUCDWAZDQWLOLE-PMERELPUSA-N 538.987 6.122 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2F)cc1 101380231 OFEHTTHEMIPACO-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101383060 IMTFFHQQOWWGAP-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OC)c2)CC1 101393412 CXOJKDNOJVALDQ-OTABCKCHSA-N 546.708 7.240 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)oc2ccc(Br)cc12 101394096 PGYZKUAJXZIMLI-QHCPKHFHSA-N 580.232 6.704 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4F)c3)sc2c1 101398603 BTMDBDPWMLJXCC-GDLZYMKVSA-N 597.067 8.019 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612075 WAAOGQNUOSWSMV-OCSSWDANSA-N 543.432 5.992 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 101965555 TZQBCULHYFSHLD-CCVNUDIWSA-N 570.396 5.121 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC(=O)OC 103796645 BCFPYZOZZYLGLH-FMFFXOCNSA-N 537.616 5.506 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 103797267 LHEKTYGOCUBHBT-JEPNHJGPSA-N 554.477 8.102 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 105020689 AJCIIGPOKRRNGI-PMUIYUFUSA-N 561.314 5.180 50 10 KKGE Cc1ccc2c(c1)C(C)(C)C[C@]1(CC(C)(C)c3cc(C)cc(P(c4ccccc4)c4ccccc4)c3O1)O2 146053012 HRGYKNRBOULHOF-DHUJRADRSA-N 520.653 7.578 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 150430629 IDAHIERVFSFKCV-RDNGQCRJSA-N 734.372 6.991 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 150431947 CKIXUVZCSPLAJK-DVMDLWDRSA-N 681.365 6.394 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)cc1 150455187 XDSFYSVXCXMUTG-GPMZVODXSA-N 660.708 5.219 50 10 KKGE CC[Si](CC)(CC)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O[Si](CC)(CC)CC)C[C@H]1OC[C@]13OC(C)=O 195882945 BUIVYZUATKNANR-RHJDUELYSA-N 773.125 7.141 50 10 KKGE in-vitro CC[C@@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 217188760 AFGNTWCXEWEKQR-BEGUPCSFSA-N 518.705 5.947 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232345573 CMCFACSFLWDOPL-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE CCc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1CC 234195891 IJRZXGQRMJASMK-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 252627054 RKZCCWVPUSWKOY-QFIPXVFZSA-N 673.113 5.961 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccc(Cl)cc1Cl 253568123 KWBVPGOKSPTIQO-AESPVEIFSA-N 554.312 7.010 50 10 KKGE CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1 254292620 AUJXYIGVWCCHIY-UHFFFAOYSA-N 553.706 8.797 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 254302322 DNXOEPZYBOSDSO-UHFFFAOYSA-N 700.620 5.469 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254395593 WTRIGIZDAKQYIP-UHFFFAOYSA-N 503.628 5.466 50 10 KKGE O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)c(OC(=O)c2ccc(Br)cc2)c1 254567056 SDEGTDUFHRMUJK-UHFFFAOYSA-N 702.355 7.332 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=Cc1ccc(C(F)(F)F)cc1 254742105 WCTXERXUHDIUJI-UHFFFAOYSA-N 542.608 5.587 50 10 KKGE Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1C 256019110 MDSCZOCUESSIQL-JEBQAFNWSA-N 508.092 5.928 50 10 KKGE CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256025275 VXKLAISHHCZDBL-SCABEPPXSA-N 756.833 13.612 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(Oc4ccc(Cl)cc4)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 264006251 DHFZITNABJEUHO-QFAGOGDBSA-N 971.605 11.664 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(I)cc2c1OCC2 380107919 OLKUMSFDEVCZJC-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE CC(C)(C)[C@H](CBr)COc1c(I)cc(Cl)cc1I 385061556 RGBDXACTSNZWOG-MRVPVSSYSA-N 557.435 5.985 50 10 KKGE Clc1ccc(P(c2cccc(Cl)c2)c2cccc3c2Oc2c(cccc2P(c2ccc(Cl)cc2)c2cccc(Cl)c2)S3)cc1 642813987 KFYDDYHRCVUKRP-UHFFFAOYSA-N 706.398 10.074 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cccc(F)c2I)c(C)c1Br 721695731 BSKSXBBRUQYDMK-HNNXBMFYSA-N 511.998 6.602 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)Cc2ccccc2)cc1OC 725440491 FEEJJSTWRDAKQF-UHFFFAOYSA-N 588.730 5.069 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1)c1cc2cc(Br)ccc2o1 1084163560 BNXFHQQROIZBGM-UHFFFAOYSA-N 745.105 6.476 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1084274129 JJKZQLHGYRIGTN-IBGZPJMESA-N 581.098 5.541 50 10 KKGE CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084349160 XNSIJKDVZOJSHI-UHFFFAOYSA-N 540.645 5.195 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1Cl 1084452934 NJHKTZIQMPRUQN-UHFFFAOYSA-N 524.857 5.031 50 10 KKGE CO[C@@H]1C(=O)[C@@H](C)C[C@@H](C)C=CC=CC=C(C)[C@H](OC)C[C@H]2CC[C@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H]1O[Si](C)(C)C 1307318211 MRNFTOVSUTVVDY-DUZXKTRASA-N 986.370 8.040 50 10 KKGE CCCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(OC=C[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N2)O4)N(CC)CC 1548337571 OPFFQPAPHBUEBG-LCDYNFKVSA-N 868.034 5.923 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685613 KVYDCZNIVYLYBC-JOCHJYFZSA-N 555.824 6.924 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865687404 QLEYYKADVRHKOL-MUUNZHRXSA-N 555.078 7.048 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCCc3ccccc3)c(OC)c2)cc1 1865687766 ABLLUFXDLUIVAT-HKBQPEDESA-N 570.649 6.396 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865693081 RIDZMFAMJQINPU-IBGZPJMESA-N 578.389 5.844 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865694544 YZKXTHWVXCPQLU-AREMUKBSSA-N 540.595 5.762 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865694876 DOPCOYBWLRCCDB-MUUNZHRXSA-N 573.068 7.187 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702054 LLNRNKFVPDHHHV-HSZRJFAPSA-N 504.924 5.757 50 10 KKGE CCCc1nn(CC)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)C(C#N)=C(N)O2 1865702727 CQDXNHCZBGMHBG-XMMPIXPASA-N 527.452 6.358 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccccc1C 1865703368 UVXAULUVBGHBHJ-PMERELPUSA-N 520.633 6.053 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1 1865706937 JHIXPLPGSTZEMT-XMMPIXPASA-N 549.984 6.789 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706952 JTPUGWFXENFFTQ-GDLZYMKVSA-N 572.540 7.435 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccccc3)n2)cc1 1868365105 KTQVHIHNIPAOGW-JOCHJYFZSA-N 541.702 6.151 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(OC)ccc4[C@H]3C)n2)c1 1868506155 RYBOILSTYHBXDO-LJQANCHMSA-N 509.635 6.601 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1OC 1868564796 FHDMPKCPWKHHCJ-ISKFKSNPSA-N 540.649 5.575 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(O)/C=C/c3ccc(Cl)c(Cl)c3)n2)cc1 1872752949 AOMSDECNKXFPBD-JQDUJFTESA-N 513.490 8.972 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCc1ccc(C)cc1 1872794029 GLKFJPYNMJIVEC-WSDLNYQXSA-N 517.050 7.741 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)cc2Br)sc1Br 1922928637 BBUISKKEHRCRRC-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1csc2c1CCCC2 1923050391 UPFZBLVBWJDSGD-SNVBAGLBSA-N 505.522 7.351 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1Cl 1923072053 MMEHQVBRYLYCNH-GSVOUGTGSA-N 518.283 6.451 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)sc1Br 1924034124 XFXWFKAACXPSKC-KGFZYKRKSA-N 518.894 6.670 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cccc(Br)c1Br 1943902554 GODCPNKZCQIKCZ-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)s1 1948827776 DJZLSEOBIXPDHZ-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2cc(Br)sc2Br)c1Br 2017391479 XUHPEIIKMPGTCA-QMMMGPOBSA-N 507.871 5.562 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CCCC2)c1Br 2025779596 JPWKOWLXEVYCIL-JTQLQIEISA-N 554.740 7.363 50 10 KKGE CC1(C)C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782436 MWXXCODAKXIXJP-ULHQUTTKSA-N 510.289 7.063 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(Br)ccc2I)s1 2029233028 OFTILBZMAUCNQI-GFCCVEGCSA-N 564.906 6.924 50 10 KKGE CC[C@@H](Cl)c1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2034338757 JJCFIIGEPGQRPI-SECBINFHSA-N 505.379 5.087 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2CCCCC23CC3)c1Br 2053371314 NNJRXKYKIWRFNE-CBAPKCEASA-N 521.938 7.442 50 10 KKGE C[C@@H]1CCO[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495049 OYMDMLFQJKXHFK-IDTHNEBUSA-N 570.739 6.598 50 10 KKGE CCC(CC)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497335 FSZRVRWOIIHCCF-QMMMGPOBSA-N 570.783 7.999 50 10 KKGE Brc1sc([C@H](Br)Cc2ccccc2I)cc1C1CC1 2094668760 KCMAFYJIMCQJEN-GFCCVEGCSA-N 512.048 6.671 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCC12CCC2 2125302791 XRYPWTJBIOWARS-MOPGFXCFSA-N 503.775 5.346 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)c(Br)s2)cc1Br 2137664037 XDTGTMPJCBXPBQ-NSHDSACASA-N 509.872 7.026 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2[C@H]3CCCC[C@H]32)c1Br 2141471573 SWWLKWIIOAFQOL-JJNWXHLYSA-N 580.778 7.609 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Cl)cc2C)ccc1I 2142104091 SFLCWEMSKWXYNT-OAHLLOKOSA-N 514.426 6.808 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 2206394958 KXBSPVJHFXFCMH-HUBAEFLPSA-N 548.338 7.309 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Cl)cc1Br 2253600698 OTHBSRLLVWAXSL-JTQLQIEISA-N 538.324 7.482 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)cc1I 2257369303 MHXGHPKWTDUCRU-JTQLQIEISA-N 566.878 6.371 50 10 KKGE CCCN(CCC)c1ccc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 2295482961 IMEBBLIZOLTJOW-UHFFFAOYSA-N 511.670 5.300 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1 2296706004 JHMZARPUYSQEID-UHFFFAOYSA-N 506.606 6.663 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 2296721714 DQTIARWSTOUCIX-UHFFFAOYSA-N 542.798 5.241 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)C(=Cc1ccccc1)NC(=O)c1ccccc1 2297455792 YPUMCYQSCNKYEZ-UHFFFAOYSA-N 514.379 5.630 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2cc(Br)ccc2Br)s1 2300954600 AAARGHAUBDONSJ-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE CCN(C[C@@](C)(CBr)OCc1cccc(I)c1)C(=O)OC(C)(C)C 2302681168 ANOPBAMYAPISHH-GOSISDBHSA-N 512.226 5.218 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 2313511021 JECJFHPKGYJATR-UHFFFAOYSA-N 507.384 5.981 50 10 KKGE Cn1nc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1Cl 2314453159 UCCGPMWUBIKPJM-HNNXBMFYSA-N 549.488 6.662 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc2ccccc12)c1nc(-c2cc3ccccc3oc2=O)cs1 2314489162 OZOWNZPORMYNKB-UHFFFAOYSA-N 548.627 7.987 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)cc1I 2314496829 FQXVOMHXLYWAIK-OAQYLSRUSA-N 527.627 7.269 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591663 AQWRTCSNKAKIMX-XMMPIXPASA-N 538.456 6.375 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592348 RNSVVIQSUZQAGM-DEOSSOPVSA-N 522.457 6.675 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(C)=C(C#N)C1=O 2314618825 UXHFYSXKCPPHBH-UHFFFAOYSA-N 576.628 5.886 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634739 DVEZHIOZFWHBNK-MGBGTMOVSA-N 568.670 6.890 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 2314737212 RJWICMNLHHIHRY-UHFFFAOYSA-N 504.970 5.337 50 10 KKGE COc1cc(C(=O)NCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 2331250714 XBCCXUDCJDXURP-UHFFFAOYSA-N 520.394 5.365 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccccc2I)c1Br 2337100038 ZGUWBYNANCIJRX-LBPRGKRZSA-N 538.807 6.937 50 10 KKGE BrCCCCCCCCCSc1cc(I)ccc1Br 2338309437 AMFDGBKGEREBRE-UHFFFAOYSA-N 520.112 7.271 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2361179482 WHAPDWGGOMTHQW-ICSRJNTNSA-N 500.221 7.680 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2scc(Br)c2Br)c1Br 2365236564 OXDWIGPCEAPBFJ-LLVKDONJSA-N 612.801 7.599 50 10 KKGE C[C@H](Br)CC1C[C@@H]2CC[C@H](C1)N2c1ncc(I)cc1Br 2366973608 SVSIZQLTWMIDEU-FZMOHWGLSA-N 514.043 5.370 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc(I)c1OCc1ccc(Cl)cc1Cl 8451676 LGCJHTDBYVZJRI-SANMLTNESA-N 712.368 6.209 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1sc2ccccc2c1Cl 14648287 WXXRMPKKTJMBSF-UHFFFAOYSA-N 509.853 6.351 50 10 KKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)/C(=C\c3ccc(OC)cc3)NC(=O)c3ccccc3)ccc21 27520888 FBAZQDPJFCVUCW-XPQDGABRSA-N 516.601 5.744 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1C 34744660 FHLZKKCSFFIYNV-HMAPJEAMSA-N 509.553 5.857 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1C 38660903 CLEMTCRVDANDQB-HKBQPEDESA-N 518.569 6.298 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 38681036 FWILLVHVPIMKGS-MHZLTWQESA-N 518.953 5.116 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3O)CCC4)ccc21 40826349 QDSHCWFQTMOZSF-GZZLJNBRSA-N 520.589 6.144 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 40846820 QZIRNRJOCVGTJM-LGJNPRDNSA-N 503.780 5.219 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 40858744 DVQYVNGPCJQAQB-KEIPNQJHSA-N 501.630 6.545 50 10 KKGE CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 40934418 IBTRHTKBKBVIAQ-FYJGNVAPSA-N 506.352 5.571 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 59158376 ZDWMYUFWGNRTND-ZXPTYKNPSA-N 510.421 5.871 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(OCC)c1 96504438 WWCXEIVYTJSASI-AUWJEWJLSA-N 507.406 5.461 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3F)c(I)c2)cc1 100237690 YNKFWTADBCRZCJ-WGNDPNKDSA-N 576.406 5.372 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241102 RSVUTOVYWVVQPP-FYAMCCBRSA-N 504.011 5.091 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101242973 CUPGNUVQEYCNHO-WWTUHYLUSA-N 516.066 6.206 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243836 GKHHSMXFUCCSDF-GIRXHADGSA-N 539.701 6.512 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244198 FMKDDCDHMMVUGS-HMNYRZCOSA-N 550.511 6.914 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337627 KNGHWCKWGSZISG-JEZFPDEOSA-N 556.666 7.072 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)cc1OC 101367708 HNXQLBMRTXSOKO-LJAQVGFWSA-N 530.577 5.085 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OCC 101373537 XUDHMWCQUAWMRE-AREMUKBSSA-N 549.421 6.074 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)cc1OCC 101374522 RTVXIILUMXXMOL-GBONIBKWSA-N 559.062 7.145 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCCC(C)C 101375175 SXZRRNHLXKUZDH-PMERELPUSA-N 542.632 6.346 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)c1 101376711 GGGGZHIMYXPYGE-MHZLTWQESA-N 549.421 5.831 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101378862 IXKDCACSQPWFGZ-XIFFEERXSA-N 546.623 6.339 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)ccc1OCc1ccc(Cl)cc1 101766114 QVCHJLJGIWHKDI-XKJRVUDJSA-N 566.279 6.489 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2Br)cc(Br)c1O 101766175 GKFBPQMXMKBVPS-LIMNOBDPSA-N 534.632 5.115 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C 102667002 NZWXAQUAJLXSGM-QNJFXAKOSA-N 522.457 6.675 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 102924584 VNHZIBBLYYQTLN-QGOAFFKASA-N 509.653 6.597 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103706980 FZTDNENCGBWKIH-MUFRIFMGSA-N 555.641 5.573 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 103877637 DOOBPASTGFTENM-JEPNHJGPSA-N 554.477 8.102 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)COc3ccc(C(C)C)cc3Br)cc2)c(Br)c1 150425995 NSFZKCHYWVGHLX-UHFFFAOYSA-N 704.416 5.138 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150460783 RXQQPDUVVBDQLB-LJAQVGFWSA-N 677.993 9.195 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(Br)c1OCc1ccc(Cl)cc1 150605453 SKWHYXMYVPCDAX-MFOYZWKCSA-N 635.696 7.297 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 206398902 ZCBNFWOPQYBKFB-ITYLOYPMSA-N 554.687 6.617 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1C 206692360 RYZWTKWNWHCVMK-FLOBXRKJSA-N 548.595 6.018 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cc(Br)c(Br)s3)c1)OCC2 228442599 JMAMNCBXVAFKGV-LLVKDONJSA-N 531.889 6.455 50 10 KKGE CC(=NNC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 252589836 ANTCMJRHGUWWJC-UHFFFAOYSA-N 574.917 7.813 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1 252621083 MSJZOEJTGJMAPY-UHFFFAOYSA-N 506.650 7.164 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NN=Cc1cccc(Br)c1 252641574 ZFCPXJQRNWUSQZ-UHFFFAOYSA-N 555.281 5.097 50 10 KKGE CCCCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530165 KCEQSXCXMOAMQF-BPYVNYEWSA-N 561.335 10.908 50 10 KKGE biogenic O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(NN=Cc2cccc(OCc3ccccc3)c2)cc1 254309080 NRSBSBYOLWKBJT-UHFFFAOYSA-N 554.650 7.055 50 10 KKGE C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)NN=Cc1ccccc1 254480299 KTPBXTMTHJXVMQ-OAQYLSRUSA-N 506.635 5.664 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2c(OC)ccc3ccccc23)cc1 254592826 ICBKJEQJPCCUAA-PKOLTAAWSA-N 555.078 6.269 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 254754176 DEKHXVPIYZPGSR-HLSVZTPISA-N 506.606 5.226 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cc(-c2cccs2)nc2ccccc12 254757924 CFBHJGZBVWBHPW-UHFFFAOYSA-N 569.686 7.885 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2-c2ccccc2)cc1 254818746 GBLHJQNISDJDQQ-UHFFFAOYSA-N 540.670 5.674 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254822157 FOEWDSOLRUVZTR-UHFFFAOYSA-N 501.631 5.922 50 10 KKGE C/C(C=NNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)=C\c1ccc(/C=C(\C)C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 254908786 UPRMNWRERHRDHA-DYICDSTRSA-N 735.026 10.283 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@]3(C)CBr)c1nc3cc([N+](=O)[O-])ccc3nc12 256020038 SWBXQXOTBMQFKB-GDHLADEYSA-N 555.473 5.988 50 10 KKGE C[C@@H](COCc1ccccc1)COc1c(Br)cc(Br)cc1CBr 719519236 FILFQSWXLFJATO-ZDUSSCGKSA-N 507.060 6.338 50 10 KKGE CCc1cc(C)sc1[C@H](Br)c1ccc(I)c(Br)c1 721595535 VOCNKYVAKCVVBP-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 725427989 MRGROQYAORBCNM-UHFFFAOYSA-N 559.475 5.335 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(SC)cc2)cc1 725439245 JCUANVNLTQHOAN-UHFFFAOYSA-N 594.734 5.699 50 10 KKGE CC(=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 1084070105 PYXVRANHFHUTKO-UHFFFAOYSA-N 541.629 5.007 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl 1084225854 MKYSUXJULJSHGD-VCHYOVAHSA-N 546.248 7.279 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)cc1 1084278439 WSVWCBFUKNTJPS-UHFFFAOYSA-N 606.748 6.571 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1084307208 GHLHXLUYFDJONP-UHFFFAOYSA-N 633.490 6.221 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)Cc2ccccc2)cc1 1084416068 MIRLQEDZYONLET-UHFFFAOYSA-N 549.096 5.397 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 1084465989 PAPNXDNNAJVRAL-UHFFFAOYSA-N 512.566 5.089 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 1084491146 UCQKWNCLDVWAKV-UHFFFAOYSA-N 536.459 6.487 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084597791 LZWNOJOBWHCTOB-OVCLIPMQSA-N 753.987 8.090 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(OCC)c2)cc1 1084619923 ZFHJPWZMBVIQAX-LJAQVGFWSA-N 605.529 6.943 50 10 KKGE CCOC(=O)c1ccc(NC(=O)N/N=C2\c3ccc(Cl)cc3C[C@@H]2NC(=O)c2ccc(F)cc2Cl)cc1 1614360623 UXPTWWIDYLBNTH-WGHBMAFGSA-N 543.382 5.190 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc([N+](=O)[O-])cc2Cl)C1 1614636075 NTYRBWNPHLRYMC-RHSMWYFYSA-N 500.720 5.035 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772746570 XKGRSFNBFRJSAI-UHFFFAOYSA-N 517.383 5.621 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747883 LRDWZCPJPOAABG-UHFFFAOYSA-N 515.353 5.834 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749083 HETOLWHIJBUZOM-UHFFFAOYSA-N 530.408 5.700 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1cccc(Br)c1 1772754888 DESLGXXPMHHUHV-UHFFFAOYSA-N 616.990 7.446 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1857788233 CBAUNERZXFKXOR-SQIDWUMKSA-N 683.882 6.083 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865683212 AMICBDISBDULQF-HSZRJFAPSA-N 547.840 6.241 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688154 LGTOTDXNFQUSPK-MUUNZHRXSA-N 549.030 6.640 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865689486 AQBTVUKLKUGXTK-HHHXNRCGSA-N 524.596 6.143 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689960 XVKNNPAMOIRXRP-IBGZPJMESA-N 515.795 5.173 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865690618 XAMUFIJRBQNDMM-GDLZYMKVSA-N 510.597 6.396 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)c1 1865694247 RPYLFBADCMOOCF-SANMLTNESA-N 508.578 5.563 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694884 DTIDJPAICTWPCY-AREMUKBSSA-N 575.894 7.038 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865695735 SAVJUAJVUGODIS-NDEPHWFRSA-N 514.585 6.318 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696554 HHSVTCUBBVAEDN-GDLZYMKVSA-N 520.633 6.063 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1OC(C)C 1865697213 PRKGYOMXOZLZMH-QHCPKHFHSA-N 520.511 6.058 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701426 VMIUHKSBNZVQKY-IBGZPJMESA-N 562.237 5.472 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865703169 OVRMMSLEGJCMEO-VWLOTQADSA-N 512.997 6.029 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c(OC)c1 1865708076 NMLMJCAKUUXRQD-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1ccc(SC#N)cc1 1867193867 HGJWXPJOATUERD-QFIPXVFZSA-N 510.623 5.384 50 10 KKGE CC(C)(C)c1ccc2c(c1)C(=O)CCN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868365756 WONVHAXJOXAPJO-UHFFFAOYSA-N 505.647 7.482 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(C(=O)CCN4CCCC4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414235 KUIRZKGYVYVCLS-UHFFFAOYSA-N 548.116 5.248 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)nc(-c3ccccc3Cl)n2)cc1 1868414961 RKUZEHODEFXFKW-XMMPIXPASA-N 534.472 7.345 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)n2)cc1 1868544275 BMOCWXNDGRNWIE-HSZRJFAPSA-N 549.700 7.480 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccc(Cl)s2)cs1 1872757977 FKCZQZIYBVPCOZ-QINSGFPZSA-N 516.269 7.593 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)ccc1OCc1ccc(C)cc1 1872794005 FMYFOJUNNVJOAO-MFKUBSTISA-N 508.687 8.376 50 10 KKGE O=C(N[C@H](CCSCC1CC(Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893204356 DCGSZQLPLDHQFO-WTOQYCPUSA-N 504.446 5.275 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904343828 MTVHQAYZIANVQM-LJQANCHMSA-N 551.104 6.475 50 10 KKGE CC(F)(F)[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1906222645 GUOTWZGNPLEZAM-ZMIZWQJLSA-N 517.853 6.763 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923073544 XVNSEYBGQHBTDC-VIFPVBQESA-N 572.769 8.135 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)c1 1924594191 LIDZZRJMNHXQKD-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1csnc1Br 1925271774 SSPOTAHHNUHTBL-SCSAIBSYSA-N 531.314 6.630 50 10 KKGE Cc1cc([C@H](Br)c2cccc(Br)c2Br)sc1Br 1943903457 ONRGVEWSTPQFSN-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)oc1Br)Cc1ccccc1 1984649674 POKGQUROBMLJIL-UHFFFAOYSA-N 556.320 5.260 50 10 KKGE CC[C@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780299 QMLOOILRNQDJTJ-WPOIXZHQSA-N 510.289 7.063 50 10 KKGE CCC(C)(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025782554 NMWTXKMLMBYEDH-NSHDSACASA-N 512.305 7.453 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc(I)ccc1Br 2083331416 YYMOUMXBJWGAIG-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE Cc1c(Oc2c(I)cc(Cl)cc2I)ccnc1CCl 2140694699 YULJFDDWSURLLZ-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@H]3CCCC[C@H]23)c1Br 2141469220 SWWLKWIIOAFQOL-SLQXFBPESA-N 580.778 7.609 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469280 UJKLZPZOXJTPBZ-LWINAJNOSA-N 582.794 7.999 50 10 KKGE F[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472622 GMNUINSZQUSIDX-CVJICSNFSA-N 586.757 7.701 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N2CCC(OCc3ccccc3)CC2)c1Br 2179826218 PYBRTWWUBJIAPL-UHFFFAOYSA-N 517.283 5.022 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cccc(C)c2I)c1Br 2201076321 FOICZXVQMORHHN-OAHLLOKOSA-N 528.453 7.070 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1Cl 2206397991 PJDCZXAVHDIMBG-MRVPVSSYSA-N 680.052 7.370 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2nn(C)c(Cl)c2Br)s1 2233015581 RSAVMQROIPJCMR-QMMMGPOBSA-N 507.473 5.681 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)sc1Br 2272729824 SKKBNOBEGWGGOE-QMMMGPOBSA-N 604.728 7.561 50 10 KKGE CCc1nc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2288345939 HENVJPXYROITJU-VIFPVBQESA-N 554.874 6.756 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1I 2288349928 VJVAXRGKQFDRRM-CYBMUJFWSA-N 536.379 6.731 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)ccc1I 2288495819 ZFYYKANGSFCNGL-LLVKDONJSA-N 645.699 7.341 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(F)c1 2294147011 UPYPCUULVQCZQY-UHFFFAOYSA-N 550.211 7.028 50 10 KKGE CS(=O)(=O)c1csc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2295276211 CPTXBELEYVEHDT-LBPRGKRZSA-N 503.075 5.355 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 2296506732 CEDKVQLAPZBVFF-XMMPIXPASA-N 576.472 5.691 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296506837 HQTUHZFBCVRIEG-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2297368319 RQTUYKWVRSCWPN-UHFFFAOYSA-N 536.407 5.150 50 10 KKGE N#CC(=CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 2297565003 NCCWKAOLIBAJFI-UHFFFAOYSA-N 503.251 5.959 50 10 KKGE N#CC(=Cc1ccc(Cl)cc1)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 2297713400 VBNMZJWNYNDCID-QFIPXVFZSA-N 540.757 5.841 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518895 YMGFSQLGYKORLU-UHFFFAOYSA-N 607.275 7.430 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 2313548666 BNUPJIKHYCOZFO-UHFFFAOYSA-N 507.590 7.177 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(=O)n(-c2ccccc2)n1C 2314476220 LATULERGBRVELH-CLJLJLNGSA-N 675.815 5.549 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 2314478657 QFVFCWACGVZHJP-UHFFFAOYSA-N 506.606 5.486 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)c1 2314533994 VVKSJVPLAFOCTD-UHFFFAOYSA-N 515.367 5.412 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314610130 CWXNKVRPAIVHPO-QFIPXVFZSA-N 522.649 6.273 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Br)ccc1Br 2316724158 IQTZVLWFAYAAAJ-SECBINFHSA-N 522.260 5.798 50 10 KKGE N#CC(=CNc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599265 GLNWXSYAHCXKMC-UHFFFAOYSA-N 501.974 5.001 50 10 KKGE Cc1nn(C)c2sc([C@@H](Br)c3ccc(OCc4ccccc4)cc3Br)cc12 2361174509 XVWKSFSMMYHVSJ-FQEVSTJZSA-N 506.263 6.769 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 13563578 GFUQBYFPLGYBAN-IQQNDYETSA-N 512.393 6.197 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 14029152 YYURJWYTUDDCTL-UHFFFAOYSA-N 524.687 5.114 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C1=O 38607629 CYBDLMKZXMKZAR-WGOQTCKBSA-N 506.606 5.661 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc21 38686216 BNLRIQYNBAGMFO-MUUNZHRXSA-N 502.998 6.275 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 40530404 XYVJUUJAXIJSAM-NDEPHWFRSA-N 508.574 6.530 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 58893641 XWCKFEIZKJSAGZ-ZHORMKCVSA-N 504.030 6.014 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 59117030 BXPJFJGFUISLRO-YVLHZVERSA-N 502.195 6.881 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cc(Cl)ccc1Cl 59304276 CZXUYGZQWQEZQA-KBKYJPHKSA-N 505.199 6.674 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100180950 PIAVJJIIMCFUCC-UHFFFAOYSA-N 564.274 5.630 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 101115548 LOPMZYKNXUYADI-CYVLTUHYSA-N 528.952 5.171 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242716 LHYGTMMKDKQNSR-YMGIJWJESA-N 525.552 5.658 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 101293627 WIQCRDDGPIEFNC-WJOKGBTCSA-N 530.580 6.268 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 101334157 SGLZOTWJDHWYDQ-UEIZDATPSA-N 525.565 5.237 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101336256 UGDPUCOOKZDLQJ-YGYFLSRZSA-N 550.659 5.579 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)C2=O)cc1 101339964 LNHYEZAOZBCOHO-JVWAILMASA-N 545.555 5.249 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101340644 FJAYOLMWHPEAKB-WYMPLXKRSA-N 521.375 6.504 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 101368186 GDQOAAGBQOVQGL-HHHXNRCGSA-N 529.549 5.610 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OCC 101374602 YMDJNPYZKRGXTO-WJOKGBTCSA-N 556.659 6.474 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384822 FYYPGJMYQAVJIL-PBYQXAPXSA-N 605.449 7.303 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101385786 RCALUVHGQFUHEJ-FZYZMVIOSA-N 601.030 6.658 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 101388740 SPNALFHCEYDBTF-XIFFEERXSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccccc1F 101388811 JILGOQONFRONDO-WJOKGBTCSA-N 566.585 6.249 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 101392727 NWRXFTHGVKNYER-QHCPKHFHSA-N 601.895 7.706 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 101396857 NWDGBKHBEHHGPK-NDEPHWFRSA-N 543.019 7.319 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2c1 101398040 DMHDPZDXFWVUDK-WJOKGBTCSA-N 611.481 8.373 50 10 KKGE COc1ccc2nc(Nc3ncnc(NNC(=O)C(c4ccccc4)c4ccccc4)c3[N+](=O)[O-])sc2c1 101492116 FFTLKFDVXBMKQI-UHFFFAOYSA-N 527.566 5.022 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(Cl)c5Cl)c(C)c43)coc2c1C 101619750 FTBBNLCPKZZHQX-UZWMFBFFSA-N 538.431 6.909 50 10 KKGE CCOC(=O)N(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103749942 HEZGEWCHWVETOW-VHEBQXMUSA-N 521.096 5.558 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4cccc(C)c4)c3C)sc3c2CCCC3)cc1 103872576 CNGIOJJILRSYRF-KCSSXMTESA-N 539.705 7.059 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5ccc(Oc6cccc([N+](=O)[O-])c6)cc5C4=O)cc3)ccc21 105646472 DCPHPWCXDLJNFT-UHFFFAOYSA-N 522.425 5.291 50 10 KKGE O=C(N/N=C(/C=C(\c1ccccc1)[C@H]1CCc2ccccc2/C1=N\NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 106870534 OULXLBVDBASTIQ-UXCUNWMCSA-N 588.711 7.301 50 10 KKGE CCCCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920731 KCEQSXCXMOAMQF-DOOVKAITSA-N 561.335 10.908 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118921161 YWOCDRCHNHTNKI-LSGSBYTISA-N 567.836 10.237 50 10 KKGE biogenic CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc(OC)ccc1OCc1cccc(Br)c1 150362659 CKAQPMOWPLLTHO-AASFFQPYSA-N 626.345 7.260 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 150464769 JGCMQOROEFUHDY-SFHVURJKSA-N 679.565 7.927 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1OC 206238083 RZKUKXGCGGSVOQ-DSPRMBBKSA-N 524.683 6.563 50 10 KKGE CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 239174478 QCDAPCLAWUINIF-CBAWVIOQSA-N 527.513 6.250 50 10 KKGE CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)NN=Cc1ccco1 252602151 FFZAFMKZMMHENM-JOCHJYFZSA-N 628.300 6.314 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C(/c1ccccc1)c1cccs1 253568989 LXFIEANJZVKACY-UJOFEPSHSA-N 628.565 5.792 50 10 KKGE O=C(NN=Cc1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 254851542 OUBSJZNXCKQCTJ-QLHBZWBJSA-N 515.573 6.380 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C(Br)Br)[C@H]2Br 256019922 MSLDSYOMFXXMDZ-SPTKLTMTSA-N 960.028 10.536 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232665 QPYJMHIDEUSFNK-OVRZYUSZSA-N 807.813 7.094 50 10 KKGE C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(CI)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 607715921 YTTUUXNQOXEOKI-ALTPPVRJSA-N 852.789 5.226 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@@H](Cl)c3cc(Br)c(Br)s3)c2O1 720123088 GAXSHPDETDWEJZ-PWCHPLFNSA-N 501.465 6.687 50 10 KKGE CC(=N/CCCP(c1ccccc1)c1ccccc1)/C(C)=N/CCCP(c1ccccc1)c1ccccc1 725387719 YBIQYOIZUIMNQU-CRHVBUSDSA-N 536.640 6.954 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc2ccccc2c1 725446048 YAQXRFQRAVRIKB-GDLZYMKVSA-N 508.618 6.120 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1083909573 DVUDTEFJFNGJHY-UHFFFAOYSA-N 607.096 7.063 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccccc1Cl)c1cc2cc(Br)ccc2o1 1083952311 SFKMCIJHEQGUAC-UHFFFAOYSA-N 562.645 6.954 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1 1083995711 PCQWXOKGWDCDBR-CIAFOILYSA-N 538.385 6.041 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084209108 YSMAGBMLACUJKO-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CCSc2ccc(Cl)cc2)c1C 1084259854 YAUQFSIYWCXWKR-UHFFFAOYSA-N 504.881 6.451 50 10 KKGE CCOC(=O)N(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084270778 HEZGEWCHWVETOW-UHFFFAOYSA-N 521.096 5.558 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl 1084276277 RJHBDNSCEWQWIM-OVCLIPMQSA-N 571.085 8.187 50 10 KKGE O=C(CSc1ccc([N+](=O)[O-])cc1)NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 1084319476 GWOURKIIYLQFMC-UHFFFAOYSA-N 577.622 6.870 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc2c(c1)OCO2 1084515681 UGOKGVGPIFKRJH-UHFFFAOYSA-N 577.431 6.394 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1C 1084519291 VQVVGXYZGXNNIO-UHFFFAOYSA-N 528.678 5.052 50 10 KKGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OCC 1084584521 OJMJHANUKOUVKJ-UHFFFAOYSA-N 544.073 5.100 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(N=Nc6ccccc6)cc5)c(C)c43)coc2c1 1772751643 IMHZCOVVXSIOSH-UHFFFAOYSA-N 573.653 8.018 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccccc5Cl)c(C)c43)coc2c1 1772751930 JPGGHHUIMWUKTK-UHFFFAOYSA-N 547.011 5.079 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)ccc1OCCc1ccccc1 1772753868 LSXIHZIBHHEOMB-UHFFFAOYSA-N 539.470 5.906 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1cccc2ccccc12 1865682078 FNIFKVMBVKDLGV-RUZDIDTESA-N 519.402 6.673 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688750 ZWZNTRGBMJOLPH-PMERELPUSA-N 552.650 6.527 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865688761 ACGIBGKUBWHCCW-HXUWFJFHSA-N 564.267 5.886 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3C)cc1OC 1865692953 QGYHKXMFELNFKB-OAQYLSRUSA-N 539.430 5.264 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695026 IAWUGXQGLFUQCQ-NRFANRHFSA-N 523.902 5.737 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696282 YWMLMZRXGVBCJR-AREMUKBSSA-N 517.416 6.344 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700933 HVKPTGLSRZSEGU-VWLOTQADSA-N 547.442 6.683 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1OC 1868341849 BEZUKARNXPLPEE-IFMALSPDSA-N 519.671 5.810 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)n2)cc1 1868527936 KQAZPTQIBPMHSB-HHHXNRCGSA-N 566.662 5.944 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1872728605 LBZSWGKQRIMAQX-MHWRWJLKSA-N 500.334 6.444 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)c1 1872754696 DXYZRODYCLEFON-RFBIWTDZSA-N 500.620 7.413 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)CC1=O 1872757011 MGNHYWZLEZZGCQ-OILZTRLPSA-N 508.043 6.497 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 1873793528 OPHQKKABTCJWRN-OWAQKBPCSA-N 510.418 5.334 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893242055 UUDQOZIMINDRGP-CYBMUJFWSA-N 523.050 5.839 50 10 KKGE Clc1ccc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)c(I)c1 1901945936 GUGJNRZSUXITLH-LJQANCHMSA-N 504.637 6.120 50 10 KKGE O=S1(=O)CCC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 1923068477 RZFILOSKWXFSCA-VDTYLAMSSA-N 501.487 5.187 50 10 KKGE COc1ccc(OC)c([C@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923072520 PIHZALSBLWNCRM-JTQLQIEISA-N 505.453 6.428 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1sccc1I 2023697355 FFVWCHSROVSUJN-NSHDSACASA-N 506.428 6.561 50 10 KKGE COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1 2037828583 RFTMVRUNHOIILC-UAHHIYHYSA-N 819.973 7.893 50 10 KKGE Oc1ccc2ccccc2c1-c1c(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)ccc2ccccc12 2060321756 VYFGKZOTDMOJJG-UHFFFAOYSA-N 523.399 8.431 50 10 KKGE CC(C)C(C)(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501407 ZGKYNORPEWXOOQ-GFCCVEGCSA-N 570.783 7.855 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@H]1CN(Cc2ccccc2)C(C)(C)C1 2098605483 LSLLSPUDFAUMHX-QGZVFWFLSA-N 500.706 6.487 50 10 KKGE C[C@H](CC(C)(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467642 ACJODSQUZYLLEK-FUXBKTLASA-N 540.359 8.089 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468580 LJULGLYQBMLAMY-BEYFKIBESA-N 550.232 7.215 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 2141472027 ZAZLLKYXRAXQDO-RYPBNFRJSA-N 580.778 7.609 50 10 KKGE CN(C(=O)c1cc(Br)ccc1I)[C@H]1CCCCC[C@H]1Br 2172546125 DLCRRTIGMWVDOJ-OCCSQVGLSA-N 515.027 5.222 50 10 KKGE Cc1c(Br)sc([C@H](Br)C2(C(F)(F)F)CCOCC2)c1Br 2173209474 YGMJQFLYGSAMHU-VIFPVBQESA-N 501.000 6.377 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2OCc2ccccc2)c1Br 2179828277 OERUHQGTHZOANE-MSOLQXFVSA-N 517.283 5.021 50 10 KKGE Fc1ccc(Br)c(CO[C@H](CI)c2ccccc2Br)c1 2206279168 UFNOOAMHRXFUMM-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE CC(C)(C)C1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206396843 BLFLYBSVKXVREK-HLCFFCTHSA-N 552.370 8.089 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207263254 WOAOTNANVMQIBB-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cc(F)c(Cl)c2F)c(C)c1Br 2234465716 YRICJFVYIKUGDT-SNVBAGLBSA-N 509.435 7.306 50 10 KKGE Cc1cc(Br)c([C@H](Br)Cc2ccc(Br)cc2Cl)cc1Br 2237454189 GBSNINSGLBGMGV-CQSZACIVSA-N 546.322 7.615 50 10 KKGE Clc1ccc([C@@H](Br)c2sc(Br)cc2Br)cc1I 2248215038 SYSCAUATAKQUHJ-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)ccc2I)cc1I 2269546846 OXVADYWBRYTOMB-CQSZACIVSA-N 563.398 5.995 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)s1 2283193685 KZQYDNJWQZFDHM-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE C[C@@H](Br)CN(CC(C)(C)C)C(=O)c1cc(I)ccc1Br 2288078334 KNRUXTDMSKWUQH-SNVBAGLBSA-N 517.043 5.325 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1Cl 2296507004 OTGCHKJUHHNDAK-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE COc1ccc(CCNC(N)=C(C#N)C=C2C(=O)N(c3c(Cl)cccc3Cl)c3ccccc32)cc1OC 2297330732 AIRJHXTXYIVGSD-UHFFFAOYSA-N 535.431 5.598 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2297458596 INBPIIYJMZBBNX-QFIPXVFZSA-N 556.844 6.307 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(C)cc1 2313571527 YISNXFKKDLHCPU-UHFFFAOYSA-N 546.248 7.198 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630965 XMMHNJHIROMGKT-UHFFFAOYSA-N 552.881 7.039 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 2313724609 MRQOAEGBIRFZDH-UHFFFAOYSA-N 500.396 6.396 50 10 KKGE Cc1ccc(-n2c(C)nc(I)c2I)c(CBr)c1Cl 2313997759 OKUGZSVNBOMVMZ-UHFFFAOYSA-N 551.391 5.247 50 10 KKGE Cn1nc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1Cl 2314438687 AOBIHOFMBTYMSC-MRXNPFEDSA-N 505.037 6.506 50 10 KKGE COc1c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)csc1Cl 2314442318 FIAHVJRZUAYAKY-QGZVFWFLSA-N 502.655 7.236 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NC3CCCCC3)c2)CC1 2314475783 CCXOHDVPRSJICI-UHFFFAOYSA-N 557.720 5.316 50 10 KKGE N#CC(=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2314519276 HJSMEIXPSKUVHM-UHFFFAOYSA-N 501.873 7.715 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593564 PHNNLZAEMWVCRT-AVRWGWEMSA-N 501.583 5.138 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 2314617974 DXPDUOOSNRYDSZ-AREMUKBSSA-N 522.605 5.099 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314618404 MZLZHLKQHIJKIS-UHFFFAOYSA-N 586.692 6.446 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCCC(C)C 2314634435 SFZZLGQPGYRPPK-PMERELPUSA-N 545.035 6.610 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646832 QFZOXLQJTNKEHM-MUUNZHRXSA-N 616.699 5.021 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(I)c1 2317776049 ZORJKYSZOKZJFB-VIFPVBQESA-N 605.742 7.622 50 10 KKGE COc1cc(Br)ccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336050623 LXLLTCSIFBMRPW-NRFANRHFSA-N 541.077 7.284 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 2340800292 ZKBGYMIOEZLBBD-HXUWFJFHSA-N 519.035 7.958 50 10 KKGE Cc1scc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2343565451 XHLTUFDALGTBTG-JTQLQIEISA-N 511.863 7.512 50 10 KKGE Clc1ccc(CO[C@H](CBr)c2cccc(Br)c2)c(I)c1 2365645357 NBCSPKWXKWWCMU-OAHLLOKOSA-N 530.425 6.360 50 10 KKGE C[C@@H]1CCC[C@]12[C@H](Br)C[C@H]2OCc1ccc(I)c(Br)c1 2377592738 CEVYZUJMCICZTK-HMTTWLPMSA-N 514.039 5.913 50 10 KKGE Fc1cc([C@H](Br)Cc2cc(Br)cc(Br)c2)c(Cl)cc1Cl 2379771826 FJIWCWPSQHHYLI-LLVKDONJSA-N 505.834 7.336 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1790163 QGMJQOIVFQUJKF-UDXHRHDRSA-N 591.289 6.960 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2888384 RPLNURYOYVEBEW-VLBGROSNSA-N 587.293 5.547 50 10 KKGE N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(Oc2ccc(NC(=O)/C(C#N)=C/c3ccc(F)c(F)c3)cc2)cc1 3187116 HWACEOKNJFVZFQ-JFMUQQRKSA-N 582.513 7.127 50 10 KKGE COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br 6905698 JCJQSAMGKIWCCQ-WMZJFQQLSA-N 515.545 5.327 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1-c1ccccc1 14032959 LHXFZIONWMPYOF-UHFFFAOYSA-N 505.640 5.027 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCC(C)C 38684167 CINIZXKGJKNFMZ-AREMUKBSSA-N 515.522 5.076 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1 38684460 CXFZRXVAZSBOEQ-MHZLTWQESA-N 518.997 5.948 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38687564 REDIEQQKCFWHQG-HHHXNRCGSA-N 512.537 6.497 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1 59305469 JFYJYKJXCCEHRG-FADJLKOXSA-N 514.673 7.748 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 100919907 HDOKHBHJPUTIJK-XDJHFCHBSA-N 542.598 5.627 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245714 UFAQLVNODIVTGB-IDJUBOEBSA-N 518.038 6.112 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 101337030 WCLVQLBAKAGDQK-ZOODIOSSSA-N 550.659 5.798 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 101340355 HKVRJBFRJNVILA-WPWMEQJKSA-N 512.993 5.763 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)[C@H](C)Oc5ccc(F)cc5)ccc43)cc2)cc1 101378746 MNMUEFCIHANPKI-BGOLNKOXSA-N 550.586 6.304 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379655 SEISLXMAXLTJNN-DHQQHXLHSA-N 603.889 8.063 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(C)cc1 101385433 OPJQGGBYIMOLML-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101397538 GWVXFBWMLRGVNR-LOYHVIPDSA-N 566.997 5.883 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 102833911 DBKAFQBFGAKRAK-GQPXRJKTSA-N 559.069 7.556 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 102932932 PHCUVRARTARXJC-VIZOYTHASA-N 537.186 7.333 50 10 KKGE O=C(N/N=C1\c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-] 103601398 RAUAZHHDCLXNME-ZFAQJOCYSA-N 568.156 6.231 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1I 103729018 BREXSIFBXLMBQC-OCSSWDANSA-N 545.380 5.588 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1/C(=O)N(CCN2CCCCC2)c2ccccc21 103740276 UQZNNGSBAXYLDM-MWAVMZGNSA-N 594.779 6.399 50 10 KKGE CCCCC[C@H](Cl)C(=O)S[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920720 OUFIJZVLVZAQTQ-SXANWQPYSA-N 549.349 10.844 50 10 KKGE C[C@@H]([C@H]1CCC[C@@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)P(C1CCCCC1)C1CCCCC1 201335738 BLYORWLXGDDPCI-FDOOREIASA-N 750.629 12.899 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Br)cc2Br)sc1Br 235860886 KCKABTSAZOAKRH-LLVKDONJSA-N 503.879 6.828 50 10 KKGE COc1cc(C=NNC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Br)cc1 254384396 VLEITOBFVBCARD-UHFFFAOYSA-N 564.358 5.534 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1 254386620 OUYJWTSXFXKGQC-VPOLRVIOSA-N 506.558 5.657 50 10 KKGE CC(=NNC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 254507652 DBQZHMXYOBBZMQ-QPFJYYDMSA-N 541.720 7.857 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 254590851 ZCUUHAPTVVLVTN-UHFFFAOYSA-N 514.611 5.382 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NN=Cc1cccc(OC(=O)c2ccccc2Cl)c1 254733752 BRWBXLJGQMMELR-UHFFFAOYSA-N 522.182 5.504 50 10 KKGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 254758543 CVZXTTRUDRQKPN-UHFFFAOYSA-N 513.667 5.791 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3ccccc3C(=O)O)n2-c2ccccc2)cc1 254759009 LGJJUADKCVXPBY-UHFFFAOYSA-N 513.623 5.172 50 10 KKGE Brc1cc([C@@H](Br)c2cccc(OCc3ccccc3)c2)c(Br)s1 381926899 QHMPINUXRJLDMG-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE Fc1cc(COc2c(Br)cc(CBr)cc2Br)ccc1Br 722004010 HGGFGSPSVHBESC-UHFFFAOYSA-N 531.839 6.587 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 725399950 GXUWOVJAMYRTMO-QFIPXVFZSA-N 526.247 6.843 50 10 KKGE CCCCCC/C=C\CCCCC[C@@H](CC(=O)O[C@H](CC(=O)OC(c1ccccc1)c1ccccc1)C[N+](C)(C)C)O[Si](C)(C)C(C)(C)C 888085851 XPHCEWQGXCYRHU-PCAHOUSNSA-N 695.094 10.585 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817461 FAGFLKDXAVYVFV-JUCVYKANSA-N 672.973 7.366 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc([N+](=O)[O-])cc1 1083989232 LKHBHURKZRLJDP-UHFFFAOYSA-N 524.578 5.004 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 1084018172 WSMHNNJSCKQTJB-LZYBPNLTSA-N 662.138 8.428 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084172759 AFDDGRKANBVCHA-NCELDCMTSA-N 578.738 7.540 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1)c1ccccc1Cl 1084201947 HXHZNHVHAKFBGZ-UHFFFAOYSA-N 564.070 7.173 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 1084254166 POWCRTOYEBSEBL-XMMPIXPASA-N 586.439 5.308 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084400908 KTQZDIGHJSDQAX-UHFFFAOYSA-N 599.540 6.145 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743911 LFXCFAPGCCUHFH-UHFFFAOYSA-N 570.447 7.489 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749296 SWFQRWFGHGIXHP-UHFFFAOYSA-N 526.036 6.791 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 1772753662 ARLTXAFOIBIBPW-UHFFFAOYSA-N 552.252 6.181 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 1772754892 IHOLPGDEFRHGGH-UHFFFAOYSA-N 538.094 6.684 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1OCc1c(Cl)ccc(Cl)c1Cl 1772760403 JKSCRWFSTLBTOP-UHFFFAOYSA-N 519.841 6.345 50 10 KKGE N#CSc1ccc(NC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 1858677606 FEZGKOULDQMIKW-UHFFFAOYSA-N 535.434 5.007 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc1OCC 1865686782 ATGYCFWQRNAYRI-JOCHJYFZSA-N 546.977 6.399 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865687642 WRKLCOFWKJKNEZ-AREMUKBSSA-N 560.576 6.373 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)cc1OC 1865691188 LWQGUGAAUCAVBY-NRFANRHFSA-N 509.404 5.213 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OCC 1865691331 PPYDLPSNFDINOB-VWLOTQADSA-N 507.034 6.274 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CCC)cc1OC 1865691579 VXCGUWKSJDOUMQ-XMMPIXPASA-N 565.512 6.908 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)c1 1865694056 OVTGOAZMFNISDC-RUZDIDTESA-N 557.448 6.317 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865694803 CAHKPDQFQIKPEN-SFHVURJKSA-N 535.320 5.279 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1OC 1865695438 CPHGFOKDDZCIMB-HSZRJFAPSA-N 561.004 6.789 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704089 MWTVYXKESDRQOO-VWLOTQADSA-N 561.867 6.648 50 10 KKGE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866128935 UEPLHWHPYSFJQL-LDADJPATSA-N 506.356 5.264 50 10 KKGE CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cccc(Br)c1 1866131769 MPGJXKLSVBQOLR-XDJHFCHBSA-N 510.413 5.210 50 10 KKGE CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866977012 KHRFHNWIKAKYSR-JWQCQUIFSA-N 536.495 6.128 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867181953 KKOZGVIZRLZCDO-MUUNZHRXSA-N 554.672 5.961 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CN3C(=O)c4ccc(Br)cc4C3=O)n2)cc1 1872752097 NHLMTDRRTQWPHQ-VZCXRCSSSA-N 508.397 5.785 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2Cl)n1 1872754454 SYBFBRMUFXDAIB-YVLHZVERSA-N 506.625 8.036 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1 1873793593 RJURXVSSXCOQHM-XCCYOMQZSA-N 504.027 5.317 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2ccc(I)c(Cl)c2)c1Br 1922944951 BFMCIRHQEFRLJY-JTQLQIEISA-N 540.873 7.168 50 10 KKGE C[C@H](CC(F)(F)F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605239 OIYHXANYMQGUGW-NQXXGFSBSA-N 523.832 7.060 50 10 KKGE N#CC(C(=O)NC1CCCCC1)=C(Nc1ccc(Cl)cc1)SCC(=O)Nc1c(Cl)cccc1Cl 2040467059 UQKRMYMMCFTGPR-UHFFFAOYSA-N 537.900 6.615 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1ccc(Br)cc1Br 2083333799 JNMLXASTQDPUJH-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2085495506 QXIOSXATTVUNDF-LLVKDONJSA-N 587.125 7.467 50 10 KKGE CC[C@@]1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1(F)F 2141470032 DLBMJLXRCVSWDI-MNOVXSKESA-N 546.269 7.452 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2sc(Br)c(C)c2Br)C1 2182022373 RJYBSEOYMJFXII-HLEGCSNESA-N 501.000 6.375 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399687 KMTLLRSSJWMUTL-NSHDSACASA-N 659.634 7.200 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(Br)cc1I 2229153863 PHLOULQUALTAHD-LBPRGKRZSA-N 579.295 7.148 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 2235609363 NIRIVJABBNEIJA-HNNXBMFYSA-N 593.322 7.571 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)ccc1I 2235609628 CGRWNOUOTPMZOA-INIZCTEOSA-N 572.904 7.226 50 10 KKGE CCN(C[C@](C)(CI)OCC1(C)CC2(CC(F)(F)C2)C1)C(=O)OC(C)(C)C 2238837970 ACQWYZBVJMHEPM-SFHVURJKSA-N 501.396 5.669 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccsc2Br)c1 2252837436 OZMOMXLTFQOBTP-NSHDSACASA-N 503.879 6.714 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)c(Br)cc2F)c1Br 2267217985 OQBUNFNMTVOXIK-JTQLQIEISA-N 539.859 7.107 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)cc1I 2269553831 PKXURALWZDTPPG-CQSZACIVSA-N 563.398 5.995 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)ccc2Br)cc1I 2269556749 QZGFTPDUJQBYRQ-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1ccc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)cc1I 2288349929 VJVAXRGKQFDRRM-ZDUSSCGKSA-N 536.379 6.731 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 2293198200 HPOXYCAUIFFSFQ-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE CCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 2293202137 HPCCKPYKSFZMGW-UHFFFAOYSA-N 562.057 8.301 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2C)c2ccccc12 2295672717 WXHJWWSMMAZHRO-UHFFFAOYSA-N 511.647 6.905 50 10 KKGE COc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c1 2296507246 ZMYPQPRBRNTIIK-XMMPIXPASA-N 504.011 5.722 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C2C3CC4CC(C3)CC2C4)cc1 2297616418 YIVJXOIUHDVQKC-UHFFFAOYSA-N 554.532 7.942 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313568516 UCQASIFSJYTTLO-UHFFFAOYSA-N 536.382 6.189 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630498 MPKVDYNDLZOJSR-UHFFFAOYSA-N 536.426 6.525 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592953 DXSDJKWBKYBJEY-WXTAPIANSA-N 566.510 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314616751 IYRJHFHSWFPERJ-UHFFFAOYSA-N 564.601 6.214 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 2314617276 VEBCQTOGQIDLLH-UHFFFAOYSA-N 572.665 6.519 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314618616 QLEYRGYVMRMZIT-QHCPKHFHSA-N 560.629 6.821 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)C2CC(Br)C2)c1Br 2317420579 QIFHSIQTCAZUPK-AYVLWNQUSA-N 505.870 6.138 50 10 KKGE CCOc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c2ccccc2)cc1 2331311595 ATVJRMYEEUXBLA-UHFFFAOYSA-N 519.453 8.549 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 2331456376 HDDXEIQZEONHMO-UHFFFAOYSA-N 519.464 7.977 50 10 KKGE Cn1cnc(Br)c1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2337274095 GCWLLBMEVZGWIB-SECBINFHSA-N 601.156 6.561 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1scc(Br)c1C 2339683228 AWTDJHDBINAMBP-LLVKDONJSA-N 535.896 7.276 50 10 KKGE Fc1ccc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)c(I)c1 2360437523 SAHKWGJAPVREAF-LBPRGKRZSA-N 512.346 6.967 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361171153 JIECNBLZKZTEBT-ZMYBRWDISA-N 508.172 6.822 50 10 KKGE Cc1cccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362230573 REGLVPOFEJJZRZ-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE CCCCO[C@@H]1[C@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2367612526 XZJAEMKNXMNXQL-RBSFLKMASA-N 518.027 5.291 50 10 KKGE COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)cc1 2385971 QIGYJXJZMWAPMT-XYZDCVNTSA-N 504.011 5.722 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1cccc2ccccc12 6906949 BAYKQVWIJZXVST-BKUYFWCQSA-N 513.937 6.535 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)/C(C#N)=C3\NN=C4CCCCCN43)n2-c2ccccc2)cc1 13131883 QJQWUTDCDZDPRV-SLEBQGDGSA-N 525.682 5.421 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(S)N[C@@](O)(c3ccccc3)[C@@H]2[n+]2cccc3cc(Cl)ccc32)cc1 19805110 HXWFBNJBHHUSOH-ZRRKCSAHSA-O 501.031 5.228 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1 34859634 UUQQTWJBHGUIDK-VAMRJTSQSA-N 515.616 8.510 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C1=O 38607655 ZNFPVMGQEXNDPE-LFVJCYFKSA-N 510.569 5.636 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1 39858767 UUDDDYHEOADXOD-LGMDPLHJSA-N 505.361 5.956 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1 40530328 ZHUWMJTWALIJEQ-RUZDIDTESA-N 500.938 6.149 50 10 KKGE CCN(C(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2)c1cccc(C)c1 40812932 MSFUVRZNBIETSU-SGWCAAJKSA-N 508.416 5.796 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825926 ITHRJIYJAGPTGO-NDZAJKAJSA-N 508.361 6.133 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1 59303602 RSRBODABJZFAMT-GOJREDGKSA-N 522.652 7.777 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)ccc1OC(C)C 97914674 HWGQDRRFIOFRFJ-AREMUKBSSA-N 521.485 5.893 50 10 KKGE Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100060437 MJXMYJNRORXDHP-UHFFFAOYSA-N 552.469 5.456 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 100335475 OYCPULQYWNBTNP-RGVLZGJSSA-N 525.830 6.853 50 10 KKGE O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)NNC(=O)COc1ccc(Cl)cc1Cl 101099709 MCWQDMCHQXOBMF-UHFFFAOYSA-N 531.827 5.739 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245105 YRIXGFOGJQELSQ-FZBRZNRVSA-N 538.456 6.375 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245121 AQWRTCSNKAKIMX-MZOFLMDJSA-N 538.456 6.375 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 101340653 RMFOOGUPQMGBDF-YDZHTSKRSA-N 500.501 5.345 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C1=O 101341236 GQXRZZRJPZWRGP-WGOQTCKBSA-N 522.605 5.010 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367276 MAGFEDBBIDBKPE-HKBQPEDESA-N 569.013 6.130 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 101373548 UTFGNWGTTVQKBR-MUUNZHRXSA-N 534.996 5.730 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 101375309 WBDNRQAGIRZGLU-HKBQPEDESA-N 542.632 6.247 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccccc5C)ccc43)c2)cc1 101382007 GUFOXNDLMBNPAE-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101386593 ZRXWWHNKHFWHJM-HKBQPEDESA-N 570.548 5.755 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388062 LMHIMWKVHXNEST-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCCC(C)C 101395817 LVLDAMSGBYHWSK-MUUNZHRXSA-N 597.495 7.263 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101398625 OFUZRJJKOAATEX-PMERELPUSA-N 560.537 5.948 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)oc2c1 101398906 GYJVMBODBIHAPD-HKBQPEDESA-N 611.481 8.373 50 10 KKGE Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610130 VNWFCWSQPRUJBY-IWBSIUBASA-N 603.460 6.434 50 10 KKGE CCCc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)c(Br)c1 101751333 QXDAGYWULUSYBZ-FYJGNVAPSA-N 567.436 5.601 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)ccc1OC(C)C 102778972 GAGSKHMLKZWSEV-MQBAUGIOSA-N 549.539 6.182 50 10 KKGE Cc1ccc([C@@]2(C(F)(F)F)N/C(=C(\C#N)c3ccccn3)O[C@H]2C(=O)c2ccc(Br)cc2)cc1 102850072 AEPPTCQQDBSTRG-JNNNHEFMSA-N 528.328 5.674 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(Br)sc1Br 122336703 BIRJBMXHXZRJIM-JTQLQIEISA-N 525.832 6.798 50 10 KKGE O=C(c1ccc([N+](=O)[O-])s1)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccc(Br)cc2s1 139025719 POYNMOQZDMTRFS-UFWORHAWSA-N 522.318 5.211 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150430672 RXBMFXDEFIPCOX-LJAQVGFWSA-N 677.993 9.277 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1Cl 150441954 MCEFQCOULJHXCX-SSEXGKCCSA-N 632.456 7.317 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)cc2)cc1OCC 150485869 KJHDOVLZVJDUKD-IMXGLZMHSA-N 663.837 7.187 50 10 KKGE CCCC[C@](C)(C/C=C/[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C 195936157 SNUSPEKJEHUDOM-HCROABCSSA-N 568.988 8.842 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206727931 DEYIKHWEKRYMHH-YWJQNHIYSA-N 525.561 5.203 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 214257775 AUGFIZPMQSZPAX-FIOJILPZSA-N 506.606 5.803 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 214377586 PPIXAHFLLAGPRE-UYNMVUAKSA-N 540.623 5.964 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214393067 VZUVYFSTAKLCHY-DXJNIWACSA-N 570.649 6.214 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NN=Cc1cccc(Cl)c1Cl 252623374 OPOZRYPQSKYRNI-UHFFFAOYSA-N 545.275 5.641 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(N=Nc3cccc4ccccc34)ccc2O)cc1 254798274 OAACIMGYZKBBGN-JWQIAXQJSA-N 582.664 6.948 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)c3)CC[C@@]1(C)[C@@H]2Br 256020056 UQRIKZUEUWQUAI-ZZDDWEONSA-N 568.346 6.677 50 10 KKGE Cc1cnc2ccc3c(nc(Nc4nc5c(OCc6ccccc6)nc(N)nc5n4[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O4)n3C)c2n1 256430751 MCJCKSMTQLIMSJ-DTXPUJKBSA-N 797.126 8.569 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C=O)[C@@H]3C[C@@H](Br)[C@]2(Br)C1 605692511 CLWWIOYWYDVVRU-HXGCCZSPSA-N 532.357 6.303 50 10 KKGE in-vitro Fc1cc(I)ccc1-n1c(CCl)nc2cc(I)ccc21 697793408 UPOYYJIHCXGQTM-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 1084250244 DKSPEMVDRFQQLD-KRUMMXJUSA-N 579.660 6.975 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Cl)ccc1O 1084348447 IRDRHCZDXIOQJK-UHFFFAOYSA-N 520.058 5.434 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccc(Cl)cc1 1084527209 FCXXAHWUSKFTCG-CIAFOILYSA-N 539.857 7.243 50 10 KKGE CC1=C(Cl)C(=O)[C@H](Cl)[C@H]([C@@H]2[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]3(Cl)CC(C)(C)O[C@@]23Cl)[C@@H]1Cl 1615217016 KSFTZUJIAOUCAC-RJRXVUQWSA-N 537.953 6.477 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748983 VKLBFCURFYFAQH-UHFFFAOYSA-N 549.414 5.593 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772749146 XGQPBMYVBBYUEB-UHFFFAOYSA-N 525.219 6.924 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc1 1865689510 AXDUQHMBTYHYMY-HHHXNRCGSA-N 525.052 7.039 50 10 KKGE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690581 VRMPCHMRCIKLOT-SSEXGKCCSA-N 540.623 6.654 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OCC 1865691358 PZQVUZIZIFWZIU-NRFANRHFSA-N 516.495 5.495 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865693042 HJLHVSQNNJLBHQ-GOSISDBHSA-N 519.321 5.661 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(Cl)c2)cc1OC 1865694932 FYKKFCXDEWXQKK-AREMUKBSSA-N 521.061 6.333 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701224 PJDLXJOCQFRWQO-AREMUKBSSA-N 547.442 6.547 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1cc(Br)ccc1F 1865701893 HLZBULBIICNZBK-QFIPXVFZSA-N 519.349 5.857 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1 1865702611 XSQZYSKXUZBLFI-QFIPXVFZSA-N 504.377 5.527 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704338 SWTZWMQKBISBTN-MUUNZHRXSA-N 565.460 7.643 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)ccc1OC(=O)c1ccccc1 1865704806 FFBLHRSSFPHFOQ-FQEVSTJZSA-N 512.488 5.004 50 10 KKGE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865705140 NHQKQFGLCJUACN-RUZDIDTESA-N 510.981 5.585 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc1 1865706940 JJROWKHJUDNQTQ-HKBQPEDESA-N 555.657 6.982 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710816 JFNXNQQETLLFMV-HSZRJFAPSA-N 520.486 5.983 50 10 KKGE CC(C)C[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872748843 PQWMZIWBJSOXAW-LEHARJQJSA-N 512.418 6.620 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCCCCNC(=O)c2ccccc2)n1 1872751390 FZDXKUDGEPDWOF-BZZOAKBMSA-N 503.668 6.899 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1872753090 HGDJQOQDDQCOHB-FVDSYPCUSA-N 518.723 8.637 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccc(Cl)cc1 1873499415 TZXNGUBOECJFKB-LDWYRGJHSA-N 502.011 5.025 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2c(Br)sc(Br)c2Br)c1C 2039501944 CYWXRKPJIIYKCO-QMMMGPOBSA-N 558.380 7.805 50 10 KKGE CO[C@H]1C[C@@H](C)CC(C)=CC[C@@H](O)C[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C)C(C)=C[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C2)OC(=O)[C@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C 2058790024 GZSLPFGJFXLWTP-GVVBFJKVSA-N 952.429 8.517 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2(CC3CCC3)CC2)c1Br 2069582230 ZAYBXWCMOVGSRA-JTQLQIEISA-N 521.938 7.442 50 10 KKGE C[C@@H]1OCC[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493294 AHGBHKQAHLHJAN-BAJZRUMYSA-N 570.739 6.598 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2ccc(Br)c(C)c2Br)n1 2138848927 CDPWGHSUHVBKKV-GFCCVEGCSA-N 515.869 5.983 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1ccc(Br)c(C)c1Br 2138855461 XDXDVBUPCKHTAH-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(COC2)C1 2141469187 SLVTXJOOWVVROV-GFCCVEGCSA-N 538.299 6.443 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3ccc(I)cc3)cc(Br)c2O1 2146630539 XZXUJVSSROHUPK-RFAUZJTJSA-N 507.991 5.861 50 10 KKGE Clc1cncc(Cl)c1COc1c(Br)cc(Br)cc1CBr 2149795686 ZOZAKFPRYDIMGZ-UHFFFAOYSA-N 504.831 6.387 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)c(Cl)s2)c(OC)cc1Br 2172569778 QISWCRJGZQIUPW-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE O=S(=O)(c1cc(CBr)c(Cl)cc1Cl)N(CCC(F)(F)F)Cc1ccccc1 2179830371 KPHLKSYNVVJWPG-UHFFFAOYSA-N 505.183 6.032 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Cl)c1cc(I)ccc1Br 2202999659 MMRNIYYOUACIEU-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE C[C@@H]1O[C@@]2([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]1C2 2206396839 BKZZOFQQLNDOLE-FMMZJVGLSA-N 552.326 6.974 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Cl)ccc1I 2225615811 LRVHWPNPQLPDHZ-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)sc1Br 2263446871 SJBJUZBVYZMRFP-JTQLQIEISA-N 538.324 7.321 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2268288056 VPCWWVLVNMSWMX-CYBMUJFWSA-N 538.807 6.984 50 10 KKGE Clc1c(Br)cccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277960302 ZKONYVKTOXLLKX-CYBMUJFWSA-N 532.295 7.306 50 10 KKGE COc1cc(OC)c([C@H](Br)c2cc(Br)sc2Br)cc1Cl 2279143651 FSKFBASMVLLZFW-LBPRGKRZSA-N 505.453 6.428 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccccc3C#N)c(I)c2)cc1 2294171844 CNAHMCNKSQUEQP-UHFFFAOYSA-N 533.369 5.850 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1 2294619935 OLGHARGKOGWNHD-UHFFFAOYSA-N 621.123 7.107 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1Cl 2294619964 UDIJPTBYOQUGOD-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Cl)c1scc(Br)c1Br 2295286145 USNMERHLLRJCPD-NSHDSACASA-N 523.899 7.334 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507048 QPKLDFXUOKSIBW-SANMLTNESA-N 532.065 5.442 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 2297555767 QPFSHZSFHRLISO-UHFFFAOYSA-N 544.526 8.414 50 10 KKGE CN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 2297848693 AMZYKGBQVCYLRJ-RDSNPXOSSA-N 555.728 5.781 50 10 KKGE Cc1c(Br)ccc(-c2ccc(C=C(C#N)C(=O)Nc3ccc(Br)cc3)o2)c1C 2313549343 UCQCIRIWGISMKX-UHFFFAOYSA-N 500.190 6.634 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313676757 ASSVRYIWGKBCDF-UHFFFAOYSA-N 546.794 7.078 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1C 2314433127 KEDPXBSWAXLQTG-UHFFFAOYSA-N 501.590 6.740 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1 2314478508 OWJURPWWKZXHCZ-UHFFFAOYSA-N 522.674 7.376 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489128 OHTFAQXSAZKGMO-UHFFFAOYSA-N 548.627 7.987 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314591957 IMRIBLHVMGKONI-VWLOTQADSA-N 536.484 6.984 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592067 LETXQGQMLBVEMF-RUZDIDTESA-N 570.036 7.349 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592452 UIQUPJVROWUOCG-RUZDIDTESA-N 570.036 7.547 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593157 IJIMOZBDNDHWRR-HSZRJFAPSA-N 552.450 5.183 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)c1 2314634848 VDLKQHNCAVIGIZ-LJAQVGFWSA-N 515.009 6.602 50 10 KKGE C=CCNC(=O)c1cc2ccc(OC(=O)C(C#N)=Cc3ccc(OCCCCCC)c(OC)c3)cc2oc1=O 2314751229 XSNXICGELSLFJO-UHFFFAOYSA-N 530.577 5.189 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(I)cc1 2316169410 CVULPDHOMSZYAN-CQSZACIVSA-N 500.037 6.552 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2sc(Cl)cc2I)c(Cl)c1 2318357200 KGOVDHPZWWQEMU-SNVBAGLBSA-N 500.385 6.936 50 10 KKGE CCc1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1-c1ccc(Br)cc1 2320729539 DIXTWMHWAFUQEQ-UHFFFAOYSA-N 549.475 5.972 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4ccc(C(=O)OCC)cc4)C3)n2)cc1 2331255830 FFTXKNPEYNOJTP-JOCHJYFZSA-N 515.635 6.175 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)cc5F)cs4)cc3C2=O)c1 2331286789 KCDFGTKZMPJPTL-UHFFFAOYSA-N 513.525 6.456 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1ccc(I)c(Br)c1 2360404680 CNKQYTVLKYEOLM-GFCCVEGCSA-N 573.252 7.590 50 10 KKGE CC(C)[C@@H](Br)C(C)(C)CNC(=O)c1ccc(Br)cc1I 2365868526 RFGWYAPUTCGDHZ-CYBMUJFWSA-N 517.043 5.229 50 10 KKGE BrC[C@@H](OCc1ccc(I)c(Br)c1)c1ccccc1Br 2377596373 WGWDVCJSKCAHEK-OAHLLOKOSA-N 574.876 6.469 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 935223 RNZWEIKYBFWLKG-NJEMLTPYSA-N 502.039 5.434 50 10 KKGE COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)cc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)c2Cl)cc1 3204006 GGKBIPKEQWSXPO-AYKLPDECSA-N 580.950 6.467 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1 8214525 LRSFXIJGHRPOQQ-VZRQQIPSSA-N 788.684 9.413 50 10 KKGE in-vitro Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccccc2)cc1C 8558178 GNJSHJGETQCXLM-UHFFFAOYSA-N 562.091 5.881 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C1\CCCc2ccccc21 12491529 IYBCOTOGTQUYNV-NCELDCMTSA-N 502.206 5.600 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 33353768 VXAIIQJXMISWCC-YLHPPSNISA-N 632.352 7.196 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1ccc(Br)cc1 38651723 HTHIGVGNPXBOES-HHHXNRCGSA-N 511.375 5.969 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 38660209 FPVSCCQDDAGCSZ-AREMUKBSSA-N 515.522 5.220 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660886 LRLXOYFBCODYQQ-SONOPUAISA-N 522.532 6.209 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1 38678732 GOXGAQIROSNFIS-XMMPIXPASA-N 503.352 5.451 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)c1 38684578 BGHBQEPTKDNSLV-HHHXNRCGSA-N 502.954 5.416 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1 38687566 REDIEQQKCFWHQG-MHZLTWQESA-N 512.537 6.497 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825793 CZOACQQHJBJUSO-FMFFXOCNSA-N 506.484 5.878 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825886 NWAMLVVUKCWILG-FMFFXOCNSA-N 506.484 5.878 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OC(C)C 40959233 YHWUVVULTCPVTH-JVWAILMASA-N 505.453 5.852 50 10 KKGE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 59304497 VZRBUXCTXOUAOB-BRJLIKDPSA-N 511.332 5.284 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2Br)c(Br)c1 100174948 YYSIQJSTNUGWOP-UHFFFAOYSA-N 590.312 5.781 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246693 XTBGJENLUJDCGS-LVVXZCGBSA-N 513.619 5.467 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 101378058 GMHBBSPTTHCYBK-YTTGMZPUSA-N 554.687 7.652 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385374 XEKZFBJHVVUFEO-UUWRZZSWSA-N 590.676 7.055 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101386487 LESJEPUUNWAJFJ-LJAQVGFWSA-N 618.429 6.927 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1F 101389194 ZSALPVXVVVHXRQ-YTTGMZPUSA-N 601.030 6.659 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 101397247 OHUKFHPDOSSYBH-WJOKGBTCSA-N 550.655 7.836 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)oc2c1 101398556 GGRXMSCPFPHWPY-JGCGQSQUSA-N 591.063 8.028 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101615170 WJWASMSSRLZCOR-HIWRWHBISA-N 551.415 5.007 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1I 102933207 SHFCFZSLUIMEKB-BOPFTXTBSA-N 593.646 6.832 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 102935011 UHZHSBANULYBED-SXGWCWSVSA-N 547.192 6.789 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C 102935030 XEPZWSBIKWRMTH-JAIQZWGSSA-N 606.382 7.142 50 10 KKGE CC[C@@H](C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@]2(Br)C1 118921100 MYLPOKATQGVMSF-QKTVTKBMSA-N 644.617 10.347 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433393 DXJFEYATPJPZQO-HKBQPEDESA-N 700.402 9.114 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1 150460076 VVUXUTIWJFVWNP-GDLZYMKVSA-N 629.521 8.233 50 10 KKGE N#CCCN(CCCCCCN(CCC#N)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 150610715 LVAKJRDDJHCLQG-ZDSKVHJSSA-N 664.660 6.449 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 196519790 QJZFVYJIGWEKIR-XPMTUQOHSA-N 919.761 9.476 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205656214 IZMLCYBBFGZXPA-FSWZZDKQSA-N 508.574 5.608 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 206234768 XLRLHHSLRMQKRU-HKWRFOASSA-N 542.654 5.923 50 10 KKGE Cc1c(C=NNC(=O)[C@H](NC(=O)Cc2cccs2)C(C)C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 252615839 JVVXPNPRHQEFJJ-HHHXNRCGSA-N 555.531 6.200 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 252641531 ZEJSOUXNOHFLOH-UHFFFAOYSA-N 606.632 5.974 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc4ccccc4c3)nnc2-c2ccc(C)cc2)cc1 254295742 CVNIIFGNLIQILO-UHFFFAOYSA-N 521.646 6.037 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccc1OCc1ccc(F)cc1 254309593 AUOTXUOPEBYSPJ-UHFFFAOYSA-N 548.574 5.793 50 10 KKGE CCOc1ccc(NCc2nnc(S[C@H](C)C(=O)NN=Cc3ccc(Cl)cc3)n2-c2ccccc2)cc1 254735184 RVOBCWIEZDQBES-LJQANCHMSA-N 535.073 5.562 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 254855090 DTWBPLPTQYRFDJ-OQFWUBAYSA-N 665.772 6.474 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCCO3)[C@H]2Br 256022839 VCFWTJNQGOTTBE-KKXDTOCCSA-N 538.074 5.082 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1Cl)[C@H]2Br 261366811 WCIANWBUGVAEMH-UVBJJODRSA-N 514.483 5.964 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1cc(Br)c(Br)s1 692783999 HSPWBQCFOQRBRG-QMMMGPOBSA-N 521.869 6.853 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1cccc(C)c1 1084011243 JRVSBSCPCJDSEQ-FYJGNVAPSA-N 556.287 7.918 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)c2C)cc1 1084372625 GINMIYMGWXCPMY-UHFFFAOYSA-N 625.194 7.524 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 1084394120 DJCZHVLLXMEGTP-UHFFFAOYSA-N 519.384 5.599 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084486786 WCXJFXNHXFWUHE-UHFFFAOYSA-N 704.156 8.059 50 10 KKGE O=C(CCCNc1ccc(Br)cc1)NN=Cc1ccccc1OCc1cccc(Br)c1 1084634044 POXHJHCIBGCLSW-UHFFFAOYSA-N 545.275 6.133 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1OC 1772754597 ZOGJNVFAUIHAKX-UHFFFAOYSA-N 542.268 5.446 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434906 YQVJBMURKHNOBB-ICIVMEBPSA-N 649.379 6.032 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865684681 VSTNYNRJTDCVBW-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687888 CQRKMFSDEQJVKW-GDLZYMKVSA-N 528.612 6.295 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc(Br)c1O 1865688388 QXPFYPUIKXARIN-RUZDIDTESA-N 571.475 6.300 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Cl)c(Cl)c1 1865690880 DFYHIBPLLBQSSA-RUZDIDTESA-N 545.426 6.638 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694357 WZQZZRKFQPQLMT-MUUNZHRXSA-N 508.597 6.129 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865695112 KHOTXBMQKLZDPQ-AREMUKBSSA-N 511.025 6.657 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695868 ABALDCDYDOLAMK-SANMLTNESA-N 508.578 5.562 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865697228 XVWFMNHWZBJRMF-HHHXNRCGSA-N 518.633 6.209 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OCc1cccc(C)c1 1865706528 YOQAMSXREUDSKD-AREMUKBSSA-N 522.605 5.693 50 10 KKGE Cc1ccc([C@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866747493 ZDAZOHNHDXTWES-VSGBNLITSA-N 531.747 6.755 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccccc1Cl 1872728813 VOWKETBSPXAPBA-UDWIEESQSA-N 515.953 5.817 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1C(C)C 1872753797 NFZWVARKLIBZOX-GPRLJNDPSA-N 501.652 6.653 50 10 KKGE CC[C@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754131 DQUWPIMQOBACCZ-PTVQEHLCSA-N 501.608 5.939 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 1880657718 UPJPBEFWBQZOPD-IBGZPJMESA-N 503.775 5.585 50 10 KKGE O=S(=O)(c1ccc(Cl)c(Br)c1)N(Cc1ccccc1)C1(CBr)CCC1 1915756417 XMGAMRABGSJZBL-UHFFFAOYSA-N 507.675 5.611 50 10 KKGE Clc1ccc(C[C@H](Br)c2cc(I)ccc2Br)nc1 1918240516 WHCNSTYMVXCTMH-ZDUSSCGKSA-N 501.387 5.781 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc2c(c1)COCC2 1923070436 AKQCIAWIHGUEPO-LLVKDONJSA-N 501.465 6.484 50 10 KKGE Cc1cccc(C)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924585973 SHJSNPANLXIIKP-SNVBAGLBSA-N 517.906 7.137 50 10 KKGE Cc1ccc(F)c([C@@H](Br)c2c(Br)sc(Br)c2Br)c1F 1924599661 KMBPUGKFAHIMSV-MRVPVSSYSA-N 539.859 7.107 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1cc(I)ccc1Br 1950207070 CCLFZGRMMFARFZ-NSHDSACASA-N 550.879 6.670 50 10 KKGE COc1sc([C@@H](Br)c2cccc(C)c2I)cc1Br 2034630640 XQLVOPCTSLVVNM-NSHDSACASA-N 502.009 5.917 50 10 KKGE FC1CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501204 WTENLVFYFIIVHO-KPGICGJXSA-N 572.730 7.311 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cccc(Br)c2)c1Br 2136378279 CIAQSYOZVIGDMY-HNNXBMFYSA-N 511.877 7.075 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(I)ccc2Br)c1Br 2138852950 UYNOHRYLUJVGEA-CQSZACIVSA-N 623.746 7.371 50 10 KKGE Cc1csc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141476750 GJXFBNIJERMGLK-NSHDSACASA-N 572.769 8.088 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@H]2C[C@H]3COC[C@H](C3)C2)c1Br 2141795294 WBISMFGUTHFMJW-WHQQTDPMSA-N 537.937 6.534 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)c(Cl)c2)cc1Br 2202350331 DHEWYFMHVWXRNN-CQSZACIVSA-N 503.843 7.011 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(I)c1 2225618402 YXOSPQWIZBIJSA-CYBMUJFWSA-N 566.803 6.579 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccc(Br)c(Cl)c2)c(C)c1Br 2235604631 OMZFIYSHCIHOMQ-HNNXBMFYSA-N 501.871 7.573 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c1 2240431343 ICZBXTFKWMNMML-RFAUZJTJSA-N 528.047 6.103 50 10 KKGE COc1c([C@@H](Br)c2cscc2OCc2ccccc2)cc(Br)c2c1CCC2 2284593402 SKZKAMPUSBKRSF-OAQYLSRUSA-N 508.275 7.071 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313568256 QPTQHQDUPGFXPE-UHFFFAOYSA-N 600.325 5.763 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2314450071 VTRONBFIEJMAAV-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccco2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2314548625 HVUSUUKJKZFXGX-UHFFFAOYSA-N 503.377 6.849 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592823 CJBCLKCMISVRKW-NIYFSFCBSA-N 515.610 5.528 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593079 HHAMYLMAOGQTPV-HSZRJFAPSA-N 559.997 6.257 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C(C)=C(C#N)C1=O 2314610372 GTLKDLDHYXTMJV-QFIPXVFZSA-N 534.660 6.344 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC 2314735916 JPPSXUBDOXOYNA-UHFFFAOYSA-N 534.638 5.396 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 2314785829 RKWZRYCPSCNVLM-UHFFFAOYSA-N 541.486 6.334 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)s2)cs1 2331402227 BUWABCLJNOQRPC-UHFFFAOYSA-N 500.945 5.302 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4C)c(OCC)c3)n2)cc1 2331430200 UJAQJQKGTVMUMI-UHFFFAOYSA-N 508.687 8.503 50 10 KKGE COc1ccc(C[C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1 2364262864 GJRSHWRULUWBAY-OAQYLSRUSA-N 555.104 7.478 50 10 KKGE Brc1cc(CN2CC[C@@H]3CC[C@H](Br)C[C@@H]3C2)ccc1I 2377314694 HCFCWPXSKATWDQ-MJBXVCDLSA-N 513.055 5.439 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)cc1 3179937 YOZBKOHEDWOGML-SREMKPHESA-N 537.383 8.321 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc2c1CC[C@H](C)C2 6167570 CQBWACGTHDQXQT-WVYOGBHPSA-N 621.756 6.017 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14029129 XSSMUTWQXUXNRM-UHFFFAOYSA-N 526.486 5.447 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)cc1 38649841 YVACLODRWTYSSG-HHHXNRCGSA-N 502.998 6.149 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)ccc21 38681821 HOXPITITMBMCQU-AFJIDDCJSA-N 512.606 6.190 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCc1ccccc1C 58993772 ZLNDZYFTMQXZOQ-JMIUGGIZSA-N 568.367 5.431 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 59255526 ZEKIHYRXQDCLDU-UWVJOHFNSA-N 511.361 5.533 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 101193627 CGAZFFDXJQVUGU-VZUCSPMQSA-N 519.228 7.837 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362458 DSFIGEOIOHMECQ-PMERELPUSA-N 538.987 6.122 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 101378829 KYSRGMCEVQGAMD-WJOKGBTCSA-N 532.596 6.410 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379998 ZPJASYSWYRAGBV-YTTGMZPUSA-N 567.041 6.684 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384457 ROXFCIAWIBIRSE-MGBGTMOVSA-N 564.613 6.731 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccccc12 101397759 MLTFFQVMIUHJBR-PMERELPUSA-N 546.554 6.897 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)oc2ccccc12 101397993 GMDBMYFKFBSNJM-PMERELPUSA-N 597.454 8.064 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 102665771 XIDDZGSJPXGNSY-BOJFNEGLSA-N 528.848 6.712 50 10 KKGE COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(O)c(OC)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 102935288 KRHQPWJGMJEKRA-DXJNIWACSA-N 559.692 5.587 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N 103795938 FAKYGASRNZKVLT-GUBAARJWSA-N 554.650 7.066 50 10 KKGE O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 105452230 LFIMRCISSZLAOY-MUFRIFMGSA-N 530.993 5.312 50 10 KKGE Cc1ccc(-c2nc(/C(C#N)=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc2NC(=O)c2ccccc2)cc1 109557063 BVAZNSKIYGGUQM-QJOMJCCJSA-N 566.664 6.342 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)ccc1Br 109869692 LPXXHTDNOMUQPW-JTQLQIEISA-N 507.842 6.659 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)S(=O)(=O)c3ccccc3)c2)C1 110558841 FEWNGVNCCGVVKT-OVMQDPJZSA-N 586.739 5.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433713 JLHAGEXLKMPWIA-YTTGMZPUSA-N 720.403 9.226 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc(C)c1Cl 150462537 AXDAVPRISRCIOO-WJOKGBTCSA-N 635.931 8.045 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 150478021 PORZHTQPNWQGOL-WJOKGBTCSA-N 684.403 9.495 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 199762859 FAGFLKDXAVYVFV-VKINHPFQSA-N 672.973 7.366 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2cccc(/C=C(/C#N)C(=O)OCC)c2)cc1OC 206694939 YZCQTDLAACTWHQ-MPKYGIEOSA-N 502.567 5.637 50 10 KKGE COc1ccc(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 234844699 YOUBUGFTWZRXNZ-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE COc1ccc(C=NNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1COc1ccc(Br)cc1Cl 252641490 ZDGCGKQJKZCNET-UHFFFAOYSA-N 589.273 7.071 50 10 KKGE CCCCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)cc1 254385212 HWNFTNBTNLPMLI-DKLZLIADSA-N 533.713 6.573 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 254489927 MNZUESFCFHVYIX-NVMJVJGISA-N 605.651 5.581 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)Cc2cccc3ccccc23)cc1OC 254567466 VXOBNFWPFDSTMA-UHFFFAOYSA-N 518.569 5.922 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616589950 QCJSYZSJARHGIB-NSDPJUTJSA-N 620.903 8.306 50 10 KKGE CC1=CC(=O)O[C@H]2C[C@H]3O[C@H]4C[C@@H](C)[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)CC=C[C@H]9O[C@H]%10C[C@H]%11O[C@H](CC(=O)CCl)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@H]4C[C@]3(C)O[C@H]12 936069606 LLWZTLRNRYPFBO-PXFFGFJBSA-N 917.530 5.525 50 10 KKGE in-vitro Cc1ccc(COc2ccc(C(=O)NN=Cc3c(OCc4ccc(Cl)cc4)ccc4ccccc34)cc2)cc1 1081086663 JCPLCFQQJICQDM-UHFFFAOYSA-N 535.043 7.724 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 1084012776 GMFVPWYTNICYLZ-QFIPXVFZSA-N 531.834 5.654 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1 1084023727 VVIULUMBAPFJDH-UHFFFAOYSA-N 565.497 5.023 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 1084091269 CUQNHZYCFAURIA-RUZDIDTESA-N 529.008 5.819 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2ccccc2c1 1084093600 ZRZYVTJLSFWXTE-WJOKGBTCSA-N 552.671 6.519 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 1084176525 HQSQWUBYZSHFIZ-DEOSSOPVSA-N 586.439 5.308 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1 1084298276 YURFRQWZKWLWAY-XQNSMLJCSA-N 532.438 5.292 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 1084369030 OIVIJOZHJVARGJ-UHFFFAOYSA-N 588.670 6.687 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1 1084378599 QPVTUYNXVRTQSC-VGOFMYFVSA-N 590.053 5.390 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Br)cc1 1084396418 AWSVHNAVTKCRML-RGVLZGJSSA-N 617.281 6.804 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c2cc(C)ccc2C)cc1 1084545816 FIEZJQQWSGNEEE-UHFFFAOYSA-N 597.568 6.672 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 1084629009 XBKXVEVZGJSNSI-UHFFFAOYSA-N 507.801 6.397 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749226 YJLIAILIAPITOK-UHFFFAOYSA-N 557.994 6.103 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 1772755003 GDOSIXABOSBFJN-UHFFFAOYSA-N 637.408 7.709 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCCc1ccccc1 1865688086 IWFSWLQQAMKIFS-HHHXNRCGSA-N 547.442 6.336 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694837 CWOPMISFESTJEB-SANMLTNESA-N 500.961 5.830 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865705166 NTOABGHZLLIVNS-AREMUKBSSA-N 541.007 5.924 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715064 UUDJALHPAHMVCJ-FQEVSTJZSA-N 518.242 6.171 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)nc(-c3ccc(F)cc3)n2)cc1 1868456491 PXMBCAKDUXIHPM-VWLOTQADSA-N 522.609 5.545 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 1923055608 WHPITFXBGLSNGZ-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Cn1c([C@@H](Br)c2c(Br)sc(Br)c2Br)cnc1Cl 1924608095 DBCVATPQKKFOPR-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Brc1cc([C@@H](Br)c2cscc2OCc2ccccc2)sc1Br 1934840493 WXIIUDUIJIHWJV-HNNXBMFYSA-N 523.109 7.398 50 10 KKGE Cc1cc([C@H](Br)c2sc(Br)cc2Br)c(Br)s1 1939962535 NNZCFHVEAYVYEX-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE CCC[C@@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781164 DFSRQLGPTJSQNK-SREIQFSDSA-N 512.305 7.453 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012737 HJVZUVSIRAKMNI-QVLCAJQISA-N 784.887 14.392 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)n(C)n2)cc1Br 2033076808 ZHIBMKMFVUDBNX-LBPRGKRZSA-N 501.842 5.500 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2nn(C)c(Br)c2C)c1Br 2049256946 YENJRFXPJLNOKA-ZETCQYMHSA-N 521.898 5.870 50 10 KKGE Cn1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2141468771 NJWACOSOKPFYGV-JTQLQIEISA-N 601.156 6.561 50 10 KKGE C[C@@H](C1CCCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141475809 RXBGDPNZBKLTSO-JVXZTZIISA-N 582.794 7.999 50 10 KKGE C[C@@H]1COCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141476661 DYPPJHGISCTLAC-DDZXGWPLSA-N 540.315 6.689 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)cccc2Br)c1Br 2201069596 WDAIAJICEILEDH-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE Cc1c(Br)sc([C@H](Br)[C@]23CCC[C@H]2CS(=O)(=O)C3)c1Br 2201883046 QZQQPUCLGPMHAU-QWRKXWFKSA-N 507.107 5.232 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206394736 IXQCHADVWILYLJ-KEMUVXCRSA-N 552.370 8.233 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1c(Br)cccc1Br 2218811394 XSIWFCNOKVMRIT-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cn1ncc(Br)c1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2224312688 QWKDTBCMKUEPHE-MRVPVSSYSA-N 512.254 6.390 50 10 KKGE Cc1c(F)ccc([C@@H](Br)c2cc(Br)ccc2I)c1F 2231077513 AHIZCDXETSJUPT-CYBMUJFWSA-N 501.934 6.125 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)sn2)c(Br)c1Cl 2256321515 QYKHYCZRXWJZJQ-VIFPVBQESA-N 523.415 5.657 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1OCc1ccccc1 2260013437 KBABFMZSUHGRAI-INIZCTEOSA-N 553.060 7.615 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1csc(Br)c1Br 2277975234 RFQYNLKRKAJHST-VIFPVBQESA-N 554.323 7.182 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2293198376 BUPJSHNQONTXLZ-SFHVURJKSA-N 536.245 5.201 50 10 KKGE CCCCOc1ccccc1C=C(C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2293202171 OHEGBWZDXHHEOT-UHFFFAOYSA-N 519.976 7.131 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1OC 2293202199 VKIORVMEEULHDO-UHFFFAOYSA-N 544.504 7.554 50 10 KKGE CC(C)OC(=O)c1ccsc1NC(=O)C(C#N)=Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 2295669902 IPNRNWCZJGMSMX-UHFFFAOYSA-N 514.525 6.457 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br)C(=Cc1cccs1)NC(=O)c1ccccc1 2297321922 JNDPLIXJZOAAKD-UHFFFAOYSA-N 732.248 7.176 50 10 KKGE CC[C@](C)(C(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 2299837198 BACJRFBGWBELOP-LDWIPMOCSA-N 519.869 7.153 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1 2313521403 LJQKCAOWCJNUHU-UHFFFAOYSA-N 586.857 7.085 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2c(c1)OCO2 2313566946 FCHCEZPYWZGJPE-UHFFFAOYSA-N 576.447 5.021 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313566947 FCXKARFXMZNSDZ-UHFFFAOYSA-N 591.462 5.591 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(I)cc1 2313568206 PMXYCYRWGNDYTP-UHFFFAOYSA-N 534.397 6.453 50 10 KKGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 2313616872 GGIUDTLBUSPIIJ-UHFFFAOYSA-N 613.331 5.632 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314487264 HIDVUBVFEJWREO-UHFFFAOYSA-N 569.358 8.022 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1ccc(OCc2ccccc2)cc1Br 2314487650 DKGJAVKJGJZKSK-HXUWFJFHSA-N 531.590 7.100 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592133 MJGPYBHPGVXATF-MHZLTWQESA-N 511.647 6.076 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593066 GUWDGITZISDICP-QFIPXVFZSA-N 526.445 5.891 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1Cl 2314618110 HMEXIABWDDGCHT-UHFFFAOYSA-N 531.012 5.220 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 2314618878 VXWOROZPCHLIJZ-SANMLTNESA-N 534.616 5.184 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2334323376 HKTLWZPXWQMHHR-SREUIJSDSA-N 536.327 7.453 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cc3c(s2)CCSC3)c1 2336074636 IHYNVCAZPKLFEZ-OAQYLSRUSA-N 510.316 7.363 50 10 KKGE Cc1csc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337084208 IQNSNTWNJWLUTA-SNVBAGLBSA-N 556.314 7.621 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cscc2C(F)F)c1Br 2362246618 BZLFGJLCHSFPOU-SECBINFHSA-N 513.398 7.488 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362251864 CCPPQHQYMPLZBZ-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)nc(C)n2C)c(C)c1Br 2362444194 JRFCOTZXUDAKLN-LBPRGKRZSA-N 529.896 6.117 50 10 KKGE COc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(Cl)c1Cl 2364069070 GYPYVPYMMLLHFC-SSDOTTSWSA-N 507.835 5.745 50 10 KKGE Cc1ccc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)cc1Br 2365216270 SHZGTNVFBFGSEU-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE Brc1ccc([C@@H](CI)OCc2cc(I)ccc2Br)cc1 2367601564 KVHSMSCHPJHGAO-OAHLLOKOSA-N 621.876 6.509 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Cl)c2)cc1 3116244 BXLRZGJSOIDEJG-KCSSXMTESA-N 521.057 6.802 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1 29503231 GNMYMOCWXZGPRA-VSZOBNKWSA-N 586.739 5.607 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Br)cc1 38651586 MCEXBDUVEQGCCQ-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)cc1OC 38660110 PXFBWHVIAJUPCN-SANMLTNESA-N 515.522 5.220 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38683032 CXICBLVUZXUDRH-NDEPHWFRSA-N 518.997 6.030 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686733 AEUOERATAZLOLL-SSEXGKCCSA-N 522.988 6.285 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(C)cc1 38686902 OBWYIDZLSRMDDI-GDLZYMKVSA-N 522.557 6.003 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(F)cc3)nc12 39858707 DTAIYIQBCSMHBB-QINSGFPZSA-N 509.324 5.787 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Cl)cc2)CCC3)c(Br)c1 40811704 IQRJKPLNUAFMIU-TURZUDJPSA-N 514.807 6.035 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C)cc1C(C)(C)C 40929924 XUTOOMKBBKPFTK-PXLXIMEGSA-N 516.594 5.492 50 10 KKGE N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 97549893 LNOMEYYICDATDC-LFYBBSHMSA-N 507.163 6.013 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2nc3ccccc3s2)cc(Cl)c1OCCCOc1ccccc1 97636258 QWXANYQENZEUFX-RGEXLXHISA-N 520.010 6.352 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 100234841 CVZKWEQHNUAPIV-WGNDPNKDSA-N 545.861 6.044 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241582 NNJXTOCBQJZYLP-XKCZREFCSA-N 500.451 5.845 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(OCC)cc1 101241837 XRZJYCLGYTXPNX-AZJLSSPBSA-N 502.423 5.121 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245129 IJWNYSAXQNZMJP-OGCOBRASSA-N 537.563 6.087 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245229 FNXKQVLMASLEDF-DHHFVULLSA-N 552.483 6.766 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 101337757 JNHCYPFIXVLWPE-SRWDPJRNSA-N 556.666 7.072 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc(C)c4c(c3)C[C@H](C)O4)C2=O)cc1 101340266 KJPJPPFKCWVBQC-LZHTXPGSSA-N 584.676 6.015 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101340825 ZBNAQLBEJUGFCQ-KQBIVOJMSA-N 575.068 6.617 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101385359 IMPXYEMGVQTRCS-GFJKYASSSA-N 580.612 6.313 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101386729 CSEUVKRQKUCIMA-HKBQPEDESA-N 587.003 6.269 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1cccc2ccccc12 101392363 NQDGCSAXNBIBTB-XMMPIXPASA-N 543.431 7.799 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101398888 WCJXZVTXYQZQIQ-LOYHVIPDSA-N 601.442 6.536 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101610108 UVNTYPBVHVXNRQ-XBQJKBNESA-N 545.561 6.848 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1Cl 102006735 GIJLJKVNGXWOFX-KKMKTNMSSA-N 546.457 6.073 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2OC)cc1OC 102626630 IKEBMDPRTOKMLW-ULJHMMPZSA-N 565.622 6.638 50 10 KKGE CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC 103649711 DVHFEXQWXYXJME-MOSHPQCFSA-N 540.483 6.620 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 103741475 YPGNSALMTXCFIU-SCIJIFGBSA-N 573.299 6.821 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 103796571 ZQLFYAPMKGJCKK-QLQYKETESA-N 609.082 7.756 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccccc1C#N 103797352 LWGNAYQGLDJCRV-RQXXSLPSSA-N 550.662 7.396 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 103876911 UCBJLDFGBSHZBM-KKMKTNMSSA-N 558.772 6.108 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 105058936 KDXSZQWTHBXJGB-HNSNBQBZSA-N 537.019 6.544 50 10 KKGE Cc1[nH]c(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(C)c1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 150354779 GEQOJIMMCVIIIX-XWTMXADLSA-N 735.025 5.621 50 10 KKGE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccc(C)cc3)c2)CC1 150448277 FUBGWMSBYYDXDI-YQYKVWLJSA-N 644.775 5.150 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150484193 KYHAHEFRWDKGQN-RUZDIDTESA-N 741.238 9.397 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 150485795 GKFWQNBHANUFQD-OWFVKUFPSA-N 683.827 7.116 50 10 KKGE CC[C@@H](CBr)COc1c(I)cc(I)cc1I 155496062 XWZKQETWDJYLBE-ZETCQYMHSA-N 620.832 5.300 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCC)C(=O)C(C#N)=C2C)cc1 214226465 XMOFGJUCERRAJQ-DIBXZPPDSA-N 524.690 6.824 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214262568 CWXNKVRPAIVHPO-RZVXFNBMSA-N 522.649 6.273 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214312634 MRZGMMLVPDKXTL-MZFJOGFUSA-N 577.644 6.306 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 214357607 RXYSNCNZNXXDDC-VEILYXNESA-N 520.633 6.171 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)c(Br)c1 234995177 DULCTPAQZNAMDC-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE O=C(NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12)c1cccc(Br)c1 252643529 ZVMQORAGVOCESM-UHFFFAOYSA-N 538.239 6.708 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1c(OC(=O)c2ccc(OC)cc2)ccc2ccccc12 254307097 KZGZPEJAHHYTPE-UHFFFAOYSA-N 586.817 9.779 50 10 KKGE CCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)cc1 254480455 QTIFKXIMEIZLMF-UHFFFAOYSA-N 522.730 8.236 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccc(F)cc1 254705075 MZDUWYDSBYOHEH-KRWDZBQOSA-N 600.461 5.254 50 10 KKGE CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 254815929 MGRPMFIVOLOXDH-UHFFFAOYSA-N 573.766 7.840 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCCC)cc2)c(OC)c1 254835361 CYHDCAYWXBRXNL-UHFFFAOYSA-N 552.756 8.245 50 10 KKGE CCOc1cc(C=NNC(=O)[C@H](Cc2ccccc2C)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 254900688 BNNBQYCZALMCAT-GDLZYMKVSA-N 556.684 5.946 50 10 KKGE Clc1ccc(I)c(COc2c(Br)cccc2CBr)c1 405304646 PQCCQDWKMAJEAX-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CC1(C)COc2c([C@H](Br)c3sccc3I)cc(Br)cc21 688196753 PTUUGYSGNTVRPJ-LBPRGKRZSA-N 528.047 6.270 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 721717521 DGGUGCDORVAEFY-VIFPVBQESA-N 528.801 7.528 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(I)cc3)cc2Br)cc1 1083889637 DCOYKMKFWDLZNF-RUZDIDTESA-N 681.365 6.394 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1083892581 CSYRVQNHGXNPQF-PXLXIMEGSA-N 624.435 5.043 50 10 KKGE CCOC(=O)Cn1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 1083914251 SBDHUCTZJNQWLL-UHFFFAOYSA-N 504.590 5.734 50 10 KKGE Cc1cc(C)c2[nH]c(-c3ccccc3)c(C=NNC(=O)C(=O)Nc3ccc(I)cc3)c2c1 1084203197 HYNUOIGYJYTFHF-UHFFFAOYSA-N 536.373 5.145 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1cccc(Cl)c1 1084286207 NGIHEBXGABSVRG-UHFFFAOYSA-N 530.355 5.358 50 10 KKGE Cc1cccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccc(Cl)cc3Cl)c2C)c1 1084480589 RPRHOVKPJWOFMN-UHFFFAOYSA-N 509.231 6.001 50 10 KKGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1084562024 AJCIIGPOKRRNGI-CEOYYTHLSA-N 561.314 5.180 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084566700 OKLTUGLZDIKZHQ-QFIPXVFZSA-N 591.256 5.663 50 10 KKGE CC(C)(C)OC(=O)NCCCC(=O)NN=c1cc(-c2ccccc2)c2cc3c(cc2o1)OC1(CCCCC1)CC3 1565518367 ZCUWFJJGVLOCCO-UHFFFAOYSA-N 545.680 6.365 50 10 KKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772756232 PCUKUDUEUMHNDP-LJQANCHMSA-N 509.444 6.243 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1cccc(OCc2c(Cl)ccc(Cl)c2Cl)c1 1772760519 MXIAZQVUNMNALR-UHFFFAOYSA-N 536.893 7.078 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685286 HSJVKWLIJRZTLJ-SANMLTNESA-N 545.470 7.255 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686421 VRGQGMZXUKBZBT-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688700 YQEPNRHQPHDUTR-HHHXNRCGSA-N 535.003 6.581 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1 1865690387 QBALUYMOLFPOSE-MHZLTWQESA-N 525.052 7.039 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OCC 1865690754 AGACMIOWJBNTRP-MUUNZHRXSA-N 520.633 6.313 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)c1 1865693104 HODDKYPBKWDDOS-SANMLTNESA-N 510.569 5.753 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1c(F)cccc1Cl 1865693660 PUEVKTNHDPTTNE-LJQANCHMSA-N 536.913 5.758 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695033 ICVDBGOETNUNPT-VWLOTQADSA-N 541.479 6.927 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OC 1865697464 TXWBIUZBUFJJJF-NRFANRHFSA-N 514.504 5.305 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 1865704774 DKIIPUAAVDSLMM-AREMUKBSSA-N 526.980 5.339 50 10 KKGE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704854 GEPWWBLMOUGVNJ-HSZRJFAPSA-N 541.435 5.854 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)Cc2cc(-c3ccccc3)on2)cc1 1866911408 INFQPZDZLNDROY-RUZDIDTESA-N 528.659 5.514 50 10 KKGE CCC[C@@H](NC(=O)/C=C(\CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867114457 FRELFKILXFRTBR-RDOKFVIMSA-N 516.461 5.748 50 10 KKGE N#C/C(=C(/O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 1872753508 AGWALBCTMSSJRB-VYIQYICTSA-N 510.575 7.061 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)n1 1872755203 CQZRAKFFSQBLGA-PYCFMQQDSA-N 507.999 6.125 50 10 KKGE CC(C)(C1CCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605626 UNMHHNQDWCCYAG-SECBINFHSA-N 509.927 7.298 50 10 KKGE CC(C)(CBr)c1cc(I)cc(I)c1I 1951857205 BQARLNFEZYUVSG-UHFFFAOYSA-N 590.806 5.173 50 10 KKGE CC(C)(CCF)[C@@H](Br)c1c(Br)sc(Br)c1Br 1989218018 DUDOGTOKMKJXLR-ZETCQYMHSA-N 501.879 6.857 50 10 KKGE Clc1cc(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)ccc1I 1995479245 NRAXWZRMCLUKNK-IBGZPJMESA-N 504.637 6.120 50 10 KKGE c1ccc(SCCNc2cccc3c2[C@@]2(CC3)CCc3cccc(P(c4ccccc4)c4ccccc4)c32)cc1 2059556096 TULSCBZXLKGSEX-DIPNUNPCSA-N 555.727 7.828 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCOCC1 2085494151 BGHSOLVOONFRBB-LBPRGKRZSA-N 526.288 6.443 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2138243756 QERRJVXCTQHQCR-SNVBAGLBSA-N 554.323 7.182 50 10 KKGE CCc1nn(C)c([C@@H](Br)c2ccc(Br)cc2Br)c1Br 2138874974 AHOAOCWSHMBEEP-NSHDSACASA-N 515.869 5.754 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3cccc(I)c3)cc(Br)c2O1 2146630332 WDOPBPALSNURKD-VFZGTOFNSA-N 507.991 5.861 50 10 KKGE ClCc1nc2cncc(Br)c2n1Cc1scc(Br)c1Br 2151784542 QAQXPIYZEKISGJ-UHFFFAOYSA-N 500.441 5.567 50 10 KKGE C[C@H](c1ccccc1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206398313 TXJGLYSGAJWPHJ-AMIZOPFISA-N 590.773 7.976 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206408401 JFMPJHNKXAJNPU-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1ccc(Br)cc1I 2207259440 AOKVZFUMWRTFOZ-GWCFXTLKSA-N 515.027 5.127 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 2213747427 XSYXRHSOFPRYTI-QMMMGPOBSA-N 544.353 7.496 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)c(Br)s2)c(Br)c1C 2215942699 BSEINCNMIBKNHH-SECBINFHSA-N 523.935 7.198 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)Cc2ccccc2I)s1 2233034159 WJRRHLRLDYJLRF-GFCCVEGCSA-N 530.063 6.330 50 10 KKGE CCc1nc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2235605358 RILSOZCLLIWNSN-GFCCVEGCSA-N 546.948 7.094 50 10 KKGE CC1CC(CC[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2251771009 JPEIAUCSQLBHSV-KAVNDROISA-N 509.927 7.298 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2cc(Br)ccc2I)c1 2277958471 GIIXLUFFLIIOMN-CYBMUJFWSA-N 623.746 7.257 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Cl)c1ccc(Br)cc1I 2279047518 MMFFKLHYUUAYIN-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OCCOC)c1C 2296790069 LZSGDPCZNONDQI-UHFFFAOYSA-N 525.652 5.753 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1 2297458576 DYDWSGLLWQSWTQ-QHCPKHFHSA-N 536.426 5.962 50 10 KKGE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3nnc(CCl)s3)C2=O)ccc1OC1CCCCC1 2314487707 HYSBXERJSDBPQM-UHFFFAOYSA-N 595.212 6.397 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592892 DEWFBDJFUPVXER-FQRUVTKNSA-N 516.066 6.261 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314593032 GISUCGCJVLMBEE-DFBJGRDBSA-N 550.511 6.914 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)c(C)c1 2314610733 LORGSVFGRBKHHD-OAQYLSRUSA-N 508.622 6.027 50 10 KKGE COc1cc(C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 2314618659 RDXXZZZEWWRBOR-HXUWFJFHSA-N 512.993 6.281 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314619741 DOTJAMBZLMQNHS-UHFFFAOYSA-N 577.084 7.164 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619833 GBUQMBHJACPHQF-UHFFFAOYSA-N 584.698 5.213 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)[C@@H](C)CCC3)cc1OC 2314753617 CMMJIQUQSZDESU-IBGZPJMESA-N 524.683 6.878 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cnsc2Br)c1Br 2315616536 JJHYAGGTJKBUNS-LLVKDONJSA-N 518.894 6.532 50 10 KKGE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)C(C#N)=Cc1cccc(Cl)c1 2329687413 LWPOZAQOBLWWTM-UHFFFAOYSA-N 513.779 5.319 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1OCCC 2331293637 KADFMTMLZGBKTG-UHFFFAOYSA-N 510.528 6.154 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1F 2331337762 YLXJFBMMLGGIGS-UHFFFAOYSA-N 501.495 5.297 50 10 KKGE CCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 2331472582 FYCFMEDVFVGLEH-UHFFFAOYSA-N 511.485 7.831 50 10 KKGE Clc1ccc(CC[C@@H](Br)c2cccc(Br)c2)c(I)c1 2341032867 QBWDMOXEBYLPFQ-CQSZACIVSA-N 514.426 6.776 50 10 KKGE Brc1ccc([C@H](CI)OCc2cccc(I)c2)cc1 2341610491 AHPJUPPQWHGQER-HNNXBMFYSA-N 542.980 5.747 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2c(Cl)cccc2Br)c1Br 2362224646 PJMWBUVKUXXPJR-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)oc2C)c1Br 2365237890 VPRPBSVDLIFRTR-GFCCVEGCSA-N 531.864 6.677 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Cl)c1cc(Br)sc1Br 2380938583 ATKBFFWFSZPTBB-AWEZNQCLSA-N 501.509 7.796 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)Oc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 1954307 BMDFXDZHGKMWAZ-RWPZCVJISA-N 550.236 6.284 50 10 KKGE COc1ccccc1C(=O)c1cc2c3c(c1)/C(=C(/C#N)c1nc4ccccc4[nH]1)C(=O)N3C(C)(C)C=C2C 33531562 YZWGGMBLNOEBAI-XTCLZLMSSA-N 500.558 5.779 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 38678936 CRIYDMFOZNEQBW-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)c1 38685232 VZMOIPGOSFZZOO-OLILMLBXSA-N 512.606 6.019 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 38688721 KDSWKMJAFJGFTC-MUUNZHRXSA-N 524.573 6.203 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)oc2c1C 38700577 MURIWFZCRGELHB-QHCPKHFHSA-N 519.384 7.102 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701146 SIDRWVZMQCXKKQ-NDEPHWFRSA-N 522.557 5.799 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 59335343 LPKRWCZAMCDFLF-NVMNQCDNSA-N 501.797 7.089 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 97968664 GUKCINIYVVROFO-RYEBZEHMSA-N 563.293 8.015 50 10 KKGE O=[N+]([O-])c1cccc([P@](=O)(C2=C[C@@]([N+](=O)[O-])(C(F)(F)F)CC(C(F)(F)F)=C2)c2ccccc2)c1 100044020 SOKYBVCKWVZSJD-JTYJAPAGSA-N 506.295 5.263 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OCCCCCC)cc2)cc1 100139839 DWDICGUQQJHRBV-UHFFFAOYSA-N 624.823 6.558 50 10 KKGE COc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CC(C)C 100870261 GSFQPYIQNOUPNA-QVAGMWBUSA-N 557.448 5.810 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 100883588 LWEQNDABCIJAHS-CEUNXORHSA-N 552.055 7.110 50 10 KKGE CC(C)c1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101243236 INFFHFSXRAXTPR-BXRBOVLHSA-N 537.729 7.237 50 10 KKGE CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 101246003 MEJWNGABPMEUCY-KXHAZENCSA-N 537.729 7.526 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246151 JACHMZXNPBOKMQ-DXTZOESMSA-N 538.456 6.375 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2OC)cc1Cl 101366754 VNBDHPZSHAGQBW-QHCPKHFHSA-N 541.387 5.847 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367321 OOSRXHXOCYPTPI-QRNTTWRNSA-N 565.025 6.765 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101367901 LBJHCAGPZBDYAT-SANMLTNESA-N 549.967 5.873 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 101369035 ZMQDPHRZCKGIKT-AREMUKBSSA-N 535.394 5.277 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1OC 101375421 UNCPLHYIJGJGNU-YTTGMZPUSA-N 570.686 6.864 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)c1 101378834 KYSRGMCEVQGAMD-HKBQPEDESA-N 532.596 6.410 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379660 SEISLXMAXLTJNN-WSABREJXSA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380330 VHZPYVCLLUZPHZ-PMERELPUSA-N 567.529 5.515 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1nc2ccccc2[nH]1 101738281 BVEAAZXVQOZMFT-WOJGMQOQSA-N 521.314 5.509 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 102665759 KIOICZFXGIZPIR-KVHSSYOWSA-N 538.854 6.167 50 10 KKGE Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Br)cc3)C2=O)c1 103741914 XCDVITOUQLVFKB-NJEMLTPYSA-N 546.490 5.543 50 10 KKGE COc1c(Br)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 103878104 JMEGMDVRUANNNU-ODCIPOBUSA-N 530.998 5.493 50 10 KKGE O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N/N=C/c1ccccc1OCc1cccc(Br)c1 104768850 APOSHHNLASRLRF-BRJLIKDPSA-N 557.451 5.788 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105059550 LLFWISCEANVPMW-FABQOPTDSA-N 571.464 7.198 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 150432059 GCXYNVWQJFFHAU-PEHSQKLVSA-N 647.466 5.540 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150460762 PWBKYEJBFSSBOF-SSEXGKCCSA-N 643.548 8.542 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C(\Nc1ccc(Cl)cc1)S[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 150602765 XPDIVESZJKZUCZ-GJRHSESZSA-N 697.398 8.563 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 164611061 IQFHCBHRIIIFCK-LUOAPIJWSA-N 652.093 6.971 50 10 KKGE CC1(C)c2cccc(P(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)c2Oc2c(P(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)cccc21 195803491 GHSKHKWMEGXYDB-UHFFFAOYSA-N 938.432 10.417 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)c(Br)s2)ccc1I 232344735 MEQWBMMFDSXABA-JTQLQIEISA-N 571.297 7.015 50 10 KKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=C/C(Br)=C\c1ccccc1 245285574 XRXJDTNHFBYTLP-GYYFJWFLSA-N 505.488 5.461 50 10 KKGE C/C(=C\C(C)C)[C@H](C)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]4n4c(=O)c5ccccc5c(=O)n43)CCC[C@@]21C 248181108 YRBTULYADOAUMR-VSOGSVDDSA-N 645.017 9.831 50 10 KKGE CCCCOc1ccccc1C=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 252623320 OOKLGDMOWHXFHE-UHFFFAOYSA-N 514.047 5.173 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cccc(NC(=O)c2ccc(F)cc2)c1 254709142 CIPJBKARKPBWOS-UHFFFAOYSA-N 535.167 5.073 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1-n1cccc1)[C@H]2Br 256020000 QXZJWNALSJVRID-YSSFQJQWSA-N 545.113 6.102 50 10 KKGE CC1(C)O[C@@H]2C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)=C(F)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 301054663 FGVFROJJJDOTDT-MHEUVVKCSA-N 684.924 8.698 50 10 KKGE CC[Si](CC)(CC)O[C@@H]1C(=O)[C@@]2(C)[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@]3(O)C[C@@H](O[Si](C)(C)C)C(C)=C1C3(C)C)[C@@]1(OC(C)=O)CO[C@H]1C[C@H]2O[Si](CC)(CC)CC 306146242 CYABQVXMGTVARC-XZHALILJSA-N 845.308 9.000 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(I)cc2)c(F)c1F 398816102 ZOHXNMUNDBBPJE-LLVKDONJSA-N 505.897 5.955 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(I)c(O)nc3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616583878 CRVMASQIWIEOGL-KHFMZKTBSA-N 986.958 9.528 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)c(Cl)s2)c1I 721674072 WSGOYWXDBQQIPN-SECBINFHSA-N 510.391 6.392 50 10 KKGE CCO[C@@H]1[C@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(\C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 1078362839 IKFKEJSONUWRCD-BWCHSQSUSA-N 590.713 5.722 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 1083963534 FJSLARLWHKVAKZ-UHFFFAOYSA-N 685.040 6.961 50 10 KKGE O=C(CCCSc1nc2ccc([N+](=O)[O-])cc2s1)NN=Cc1cc(Br)cc(Br)c1O 1084041491 NWILFRUHKBZKLB-UHFFFAOYSA-N 574.276 5.458 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@@H](C)CO[Si](C)(C)C(C)(C)C 1084294019 XZZZANOWCHJRTD-XROBBVACSA-N 559.040 10.844 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccc(Cl)cc3)c2C)c(C)c1 1084346310 HULHGLZTELMNCN-UHFFFAOYSA-N 518.908 6.759 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CCNC(=O)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)CNCC(=O)c3ccccc3)c2c1O 1084399857 QZSGWOUYLZFUPQ-UHFFFAOYSA-N 896.998 6.950 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1C 1084405840 PHWUOZSXAVDMAD-UHFFFAOYSA-N 523.258 6.309 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc3ccccc3n1)CCC2 1772751568 UZHUKDJXLLDULS-UHFFFAOYSA-N 510.550 5.036 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865685148 GFXLMJSHRNVEOZ-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1 1865692611 NYMFWHYMUSRPKV-XMMPIXPASA-N 533.415 6.141 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1ccc(F)cc1 1865694348 WUJDALPESKCKFO-IBGZPJMESA-N 502.468 5.105 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865694789 BQNDPIZGBIYTLP-NDEPHWFRSA-N 510.569 5.493 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694796 BXPNVXIOEMTZIP-GDLZYMKVSA-N 519.004 6.785 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866678241 OTCIRPJXFIEKMZ-MHZLTWQESA-N 572.712 5.831 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866751005 RHNLJWIUTGJEKK-CLJLJLNGSA-N 522.070 6.115 50 10 KKGE CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867141735 UCFMXPYVRKRRNL-AOYPEHQESA-N 536.097 6.757 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)n1 1868277899 LVTYGIFGTIPDAD-PMERELPUSA-N 508.695 7.521 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)n2)c1 1868504981 BRVBDTQAYHWZLD-OAQYLSRUSA-N 523.618 6.192 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 1872758938 XMUKUJCUQGQASJ-ZMRQUTOFSA-N 508.043 6.443 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 1873794667 UDVKKFSORXOEMU-YYMFIERXSA-N 507.606 5.947 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)CCCOc2ccc(Cl)cc2Br)n1 1873920284 BYRQLRCXHLWKAC-JZJYNLBNSA-N 519.848 7.195 50 10 KKGE Clc1cc(I)c([C@@H](Cl)c2cc(Br)sc2Br)s1 1900917792 ARNCNXRIPMCYCU-ZETCQYMHSA-N 532.875 6.921 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2cc(Cl)ccc2I)c1Br 1922945349 FMKQQSKJBQLIKD-SNVBAGLBSA-N 540.873 7.168 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)s1 1924579388 DUVMGLGAFNLGKQ-LURJTMIESA-N 530.326 7.235 50 10 KKGE Cl[C@@H](c1csnc1Br)c1c(Br)sc(Br)c1Br 1925271161 PLKXPPOGEPMGJX-YFKPBYRVSA-N 531.314 6.583 50 10 KKGE C[C@@H]1C[C@]1(F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025782672 JVFAFIVWYOYWLV-CKHLCZOGSA-N 558.703 6.921 50 10 KKGE BrC[C@@H](COc1c(I)cc(I)cc1I)CC1CC1 2050056664 HXPROXZZNUGUPI-VIFPVBQESA-N 646.870 5.690 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2sccc2I)c(F)c1Cl 2081843131 HFZZZJGEEVJJNF-QMMMGPOBSA-N 528.381 6.531 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc(Br)ccc2I)c1C 2082883209 DPFRAMVWLWBRNE-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Cl[C@H](C[C@H]1C[C@H]2C[C@H]2C1)c1c(Br)c(Br)cc(Br)c1Br 2141469313 UOZOABLSVJKWKH-HGIWHZBTSA-N 536.327 7.453 50 10 KKGE CC(C)(C)C(C)(C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141478703 ZGHPTMMIPZMCCG-GFCCVEGCSA-N 540.359 8.089 50 10 KKGE Clc1cc(COc2ccc(CBr)cc2Br)ccc1I 2142946766 MBTIMXYOHHJNJI-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE FC(F)(F)C1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCCC1 2173211745 CRRIXICQXNYVFE-QMMMGPOBSA-N 519.446 7.828 50 10 KKGE COc1cc(C)c([C@H](Br)c2cccc(F)c2I)cc1Br 2198741194 ZHDUMSGCKAUYOE-CQSZACIVSA-N 513.970 5.994 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(C)c(Br)cc(C)c2Br)c1 2201071092 PQXZFDVYDYOGOI-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC2(CCC2)CO1 2206397310 HUVDBPULSLWQIU-RNCFNFMXSA-N 552.326 6.976 50 10 KKGE CC(C)(CBr)[C@H]1CCCN1C(=O)c1ccc(Br)cc1I 2207268991 XLHDPQQXQBELGC-CYBMUJFWSA-N 515.027 5.079 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)sc2Br)c(C)c1Cl 2224310478 HOAQFXXDFVMAQK-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)O1 2226836026 UWYARRWIJOVBPZ-BOCOKBRWSA-N 584.766 7.130 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2Br)c(C)c1Cl 2232528891 JQGYETVYXPDXJP-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2c(Br)cccc2Br)s1 2233036714 YYYKXWDMQWWEHP-ZDUSSCGKSA-N 547.932 7.056 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(C)c(Br)c1C 2235610693 RYDFSGRSQWBQDW-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1c(F)cccc1I 2282905843 YOANAWQDMKOBIL-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)c(Cl)cc2F)c(Cl)cc1Br 2282908132 XNEXADXGGAZJQR-ZDUSSCGKSA-N 509.797 7.281 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Cl)c1OC 2283450786 LKSIYTGDDHLMDL-SNVBAGLBSA-N 505.453 6.428 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2295489465 GINKZXKCMYYSSZ-UHFFFAOYSA-N 631.516 6.208 50 10 KKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296507006 PCGMZCLUVBLMAA-HSZRJFAPSA-N 522.457 6.675 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 2297457908 JBYLFXZZFOPMBD-UHFFFAOYSA-N 505.552 5.906 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC(=O)c1cccc2ccccc12 2297491191 TZXHSTIAHQJSHG-UHFFFAOYSA-N 537.528 5.920 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2297498244 IXSQKKGSLJSIBW-KRWDZBQOSA-N 553.423 5.170 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567937 PXRYWPWHKAZRNP-UHFFFAOYSA-N 526.851 6.482 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2s1 2314414773 LUZWQSONZTUJJT-UHFFFAOYSA-N 545.067 8.446 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@@H](Br)c1cc(Br)ccc1I 2314511262 GLGVECJTOWUWKZ-JTQLQIEISA-N 540.873 7.215 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591695 BJWFPLBITSDJMU-SANMLTNESA-N 516.066 6.837 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)C(C)=C(C#N)C1=O 2314611670 YUBUHUQCMHAFAS-UHFFFAOYSA-N 506.650 6.637 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619723 DAABFKOLDXYGGA-UHFFFAOYSA-N 580.685 6.044 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643334 SJLYHIVNLSIXQZ-BHVANESWSA-N 600.715 7.717 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1OC 2331242229 GAVACYDQWGFCAZ-NRFANRHFSA-N 503.580 5.331 50 10 KKGE CCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccc(OC)cc3)C4=O)n2)cc1 2331245409 ISYDAWUEQZFMBF-UHFFFAOYSA-N 521.598 6.127 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)(C)C)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 2331461197 VIGRHKICTVHEMM-UHFFFAOYSA-N 524.686 8.076 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2340065705 MGPHPILQVCQCAL-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2362246877 DRUWKACNLHTRLV-JTQLQIEISA-N 554.277 6.293 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Cl 2364234291 IVHUUAVRWPKVRH-VIFPVBQESA-N 550.314 6.462 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1ccc(Cl)cc1I 2365597549 HTXFRQYQBOEJKQ-CYBMUJFWSA-N 550.843 6.853 50 10 KKGE BrCC1(COCc2cc(I)ccc2Br)CCCCCC1 2367271558 PEOJWHAKCJZAET-UHFFFAOYSA-N 516.055 6.306 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 16789784 PKQRXFCDLCFGKE-HVBJHMBASA-N 508.430 6.367 50 10 KKGE Cc1ccc(C(=O)Nc2sc(/C(C#N)=C\C3=Cc4ccccc4O[C@@H]3C)nc2-c2ccc(C)cc2)cc1 33482899 IXXPQQIIZZAHSF-XOASYVKCSA-N 503.627 7.451 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc1OC 38660092 STJLDJWNVGKCTO-GDLZYMKVSA-N 514.578 5.385 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 40530359 ZRHFONQOKDEIDZ-QHCPKHFHSA-N 502.979 6.391 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 40813423 APOVFYHYMCQEMQ-OGLMXYFKSA-N 510.934 5.189 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813534 CNIKQIMBTUUPEA-HMZBKAONSA-N 506.606 5.174 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1 58895366 ACAWGDDRASFJOH-DLOXVRGRSA-N 534.628 5.895 50 10 KKGE Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1 59332952 OMEYJVUEZVQZGQ-JJIBRWJFSA-N 516.439 5.592 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc(Br)cc1)c1cccc(Cl)c1 59460683 WFYMDTXDPFCFDY-XHPQRKPJSA-N 500.805 6.170 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 97984908 ZUMRGGAETKVOAT-ZHZULCJRSA-N 531.597 6.564 50 10 KKGE CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 100164058 AVGBKSGPRAHPTA-UHFFFAOYSA-N 556.482 5.156 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100177873 NFKBCIZTFOHSQK-LBPRGKRZSA-N 562.686 5.156 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244953 QIMPNDVDGBGNHU-NNHPPCHPSA-N 536.484 6.929 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245958 GJDVULSHDVFMSC-IEQIIXMPSA-N 536.484 6.929 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)C2=O)cc1 101340250 VAVCBKWADPBYQI-MTDXEUNCSA-N 554.606 6.129 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 101340389 XYXLMBTZVJFFOP-PCLIKHOPSA-N 543.019 5.771 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 101367422 GDNDUTALNQCAKX-UUWRZZSWSA-N 590.676 7.281 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccccc1Br 101370468 NBUNURARCGARIT-KRWDZBQOSA-N 567.264 5.347 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OC 101375566 NVMSWMYTLXJJKC-YTTGMZPUSA-N 591.104 7.209 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380584 MJDVXKOMBPGZND-MUUNZHRXSA-N 571.948 6.404 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382798 FDBMGERWGGKZHL-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383302 DALZFNUTJYAXMN-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384330 HTHXVAJGMIKYNF-JGCGQSQUSA-N 564.613 6.877 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384723 DIAXOAFTOOXKNU-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386700 WDOKGWRQQUUWEI-UAUHYJHGSA-N 604.678 7.548 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387590 NFTRXIXCYARPNL-WJOKGBTCSA-N 621.904 7.601 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(C)ccc4c3Cl)ccc21 101395008 GLWBIIHIUWOZBK-SANMLTNESA-N 545.060 7.479 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 102455726 OVRXRVXFKQZBNT-CAPFRKAQSA-N 593.503 6.154 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 104953050 HHJFOZFNVKNLSH-PXNMLYILSA-N 536.640 7.534 50 10 KKGE O=C1OC(=O)c2cc(Oc3ccc(N4C(=O)c5cc6ccccc6c(-c6ccccc6)c5C4=O)cc3)ccc21 105682236 OXILPABMUDBOPK-UHFFFAOYSA-N 511.489 6.410 50 10 KKGE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OOC(=O)CCCCCCC/C=C\C/C=C\CCCCC 113286644 XSYYXUMXPMVEOR-MAZCIEHSSA-N 558.888 11.615 50 10 KKGE O=C(c1ccc(Br)s1)N(/N=C/c1ccco1)c1nc2ccc(Br)cc2s1 138981316 WNSWHXFDFSDXFI-AWQFTUOYSA-N 511.220 6.157 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 150419868 PASNZILOIWFEBN-RIYZIHGNSA-N 618.684 7.153 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 205643176 QLKZZDRZBWDBJS-WCWSVTKPSA-N 530.580 6.111 50 10 KKGE CCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1 207168077 CFYCDPBOIHQSFU-SWBSAEBCSA-N 506.599 5.181 50 10 KKGE O=C(CCCCCN1C(=O)/C(=C\c2ccc(OC3CCCCC3)cc2)SC1=S)Nc1nnc(CCl)s1 211917865 JCHSPANVCRWTQG-HMMYKYKNSA-N 565.186 6.389 50 10 KKGE O=C(O)CCCc1ccc(N(CCCl)CCOC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1 212643503 OEWWULVKDVVUOA-UHFFFAOYSA-N 571.973 5.989 50 10 KKGE in-vitro CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 214326545 BUXAPMWBQOTWHZ-CJIBNMNCSA-N 588.639 6.029 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214331836 SRKONVPDPFDKGP-LNYBZIJTSA-N 528.612 6.291 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 214348614 TYKFAIONVJZNQN-IMRQLAEWSA-N 529.556 5.282 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 254345081 HANLGMJTRUNVLE-UHFFFAOYSA-N 594.762 6.456 50 10 KKGE CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)C3=CC[C@@]12C)OO4 254520822 OZOBOQMZNAZDEM-JSYMMFKASA-N 530.749 8.258 50 10 KKGE COc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@H]3Br)C4(C)C)c(OC)c2)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019881 JYXNTDAPFPRGLE-UNOCMMMMSA-N 758.548 7.566 50 10 KKGE CCO/C(O)=C(\C#N)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 585145740 ZGOAHPRMVIRWKL-NMPLSFHDSA-O 527.826 5.683 50 10 KKGE Oc1nc2cc([C@@H](Cl)c3scc(Br)c3Br)c(Br)cc2[nH]1 705466331 SZLOTBLOHSLERV-SNVBAGLBSA-N 501.425 5.946 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)Cc2ccccc2)cc1OC 1083844313 CMQHXSNLPATVEB-UHFFFAOYSA-N 629.566 5.759 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 1083906974 MOWXKEAGXQYPSF-UHFFFAOYSA-N 588.524 5.291 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(I)c2)cc1 1084171905 FRNMXMNREHIDIX-DEOSSOPVSA-N 576.406 5.372 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 1084282506 HLOYBMWXGSBXFY-UHFFFAOYSA-N 610.107 6.111 50 10 KKGE Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1084342482 GSFZPYQOKYCART-UHFFFAOYSA-N 563.123 5.440 50 10 KKGE CC(=NNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(Br)cc1 1084592752 WMWFWCFCWZSOQR-UHFFFAOYSA-N 534.483 5.448 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccc(Cl)cc1 1084623874 IHBKWBGEYFFGLO-UHFFFAOYSA-N 590.123 8.186 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744594 XSVBLILPPNNCMF-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE Cc1ccc(OCC(=O)NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1C 1772752444 MRPNSTATPCBMGY-UHFFFAOYSA-N 526.818 5.165 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 1865682543 RABCRLNKJDCEAQ-LJQANCHMSA-N 501.295 6.569 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1c(F)cccc1Cl 1865687810 AXPRNILULVCEEX-HHHXNRCGSA-N 536.994 6.771 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688817 BSVXEQYTFSWXSL-QHCPKHFHSA-N 553.833 6.491 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3CC(C)C)cc1OC 1865693539 WTBVQPYPLOVSFR-NRFANRHFSA-N 503.441 5.406 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865694085 PFSJTLXYFCSJFZ-MHZLTWQESA-N 547.442 6.683 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 1865694923 FRWHNRVGKKQJNV-NDEPHWFRSA-N 536.632 6.083 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695644 QZMFDVDTOFHNPE-AREMUKBSSA-N 535.406 6.483 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865696215 YNJQQFPHUKMPGB-GDLZYMKVSA-N 539.079 6.951 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1cc(Br)ccc1O 1865697044 VJKFRKVUWMYEHY-NRFANRHFSA-N 564.237 5.988 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865703230 QVHQTNGCLUROFF-AREMUKBSSA-N 545.014 6.406 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccc(Cl)cc1Cl 1865704002 KMEVRACJTZLXPK-HHHXNRCGSA-N 565.432 6.492 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2ccccc2OC)n1 1868387880 BEAUZSIPORIOCU-PMERELPUSA-N 507.663 6.907 50 10 KKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1 1868433163 GOINQBFWQKAYHY-SFHVURJKSA-N 514.054 7.453 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)n2)c1 1868505599 JQRDPNAOTNGXBH-RUZDIDTESA-N 523.666 6.412 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)nc2c1 1872728581 KFAKOBCNAQXLSA-NLRVBDNBSA-N 549.590 6.706 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 1872744783 IBFXLXGSKXVWAB-PVCXERSVSA-N 512.462 7.305 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC 1872792145 HDDXEIQZEONHMO-DEDYPNTBSA-N 519.464 7.977 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1Cl 1872793567 HHCLNIKMOICSGN-UUILKARUSA-N 507.793 6.022 50 10 KKGE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1873794846 DIBGREOCBRWKHL-BULNNFJJSA-N 507.656 5.515 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(Cl)cc2I)s1 1900918947 MXFQPLMOEYJICO-QMMMGPOBSA-N 512.457 6.623 50 10 KKGE Fc1ccc([C@H](Br)c2sc(Br)cc2Br)c(I)c1 1922939990 JSGXFVKBZRUBPN-JTQLQIEISA-N 554.842 6.501 50 10 KKGE O=S1(=O)CCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924595134 VAPAVHRNBNTOII-FSPLSTOPSA-N 545.938 5.439 50 10 KKGE Fc1cccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)c1I 1925622193 PIZLIEYXIKTBLP-ZETCQYMHSA-N 500.385 6.936 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2I)s1 2029233029 OFTILBZMAUCNQI-LBPRGKRZSA-N 564.906 6.924 50 10 KKGE Clc1c(Br)ccc(CBr)c1Oc1ccc(I)cc1 2036846632 CNLHSZCDEZYIPB-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE CCCCCC[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085494098 KCQKHSGOJWXDHS-MRVPVSSYSA-N 570.783 8.143 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2CCCC[C@H]21 2141470815 LAMOTYPDGVWGJM-NGYCSDOPSA-N 536.327 7.453 50 10 KKGE C[C@]12CN(Cc3ccccc3)C[C@]1(C)CN(c1c(CBr)ccc(Br)c1Cl)C2 2154355310 CFVIRAPDBHIUPQ-FGZHOGPDSA-N 512.717 6.346 50 10 KKGE CN(C[C@H](Br)C1CCCC1)C(=O)c1cc(Br)ccc1I 2167647572 RBDYXNZTZWZVNQ-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cccc(F)c2I)cc1Br 2202357392 UTXVPFSXDHDBRI-CYBMUJFWSA-N 534.388 6.339 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(I)ccc1Br 2203830253 NWGRXXSSXFDJOV-CQSZACIVSA-N 574.876 6.618 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)s1 2215944471 XLGGETWOGATKJK-ZCFIWIBFSA-N 588.804 7.652 50 10 KKGE COC[C@@H]1C[C@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216397670 XMVXFCNURDZECL-ACZMJKKPSA-N 511.899 5.939 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c(C)c1Cl 2224317592 PECBNHVQAABXQU-NSHDSACASA-N 552.351 7.790 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)sc2C)c(C)c1Br 2227369261 MYCQIYDQQADLJJ-AWEZNQCLSA-N 531.933 7.445 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c(C)c1Cl 2232526798 KYDRVZBCWPMRSM-CQSZACIVSA-N 546.322 7.729 50 10 KKGE Brc1cc2sc([C@@H](Br)c3csc(I)c3)cc2s1 2252900598 MRVPJBCUISUDSD-NSHDSACASA-N 520.074 6.876 50 10 KKGE Clc1ccc([C@H](Br)c2c(Cl)sc(Cl)c2Cl)cc1I 2256334927 DEDPODNZGQMNCV-QMMMGPOBSA-N 516.840 7.451 50 10 KKGE CCCc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 2268141721 JDGGPUYLEHPODL-LLVKDONJSA-N 531.933 7.472 50 10 KKGE N#CC(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2293202190 SWBQSCMUBDRHRJ-UHFFFAOYSA-N 516.759 7.259 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)NCCc2ccccc2)cc1 2297458522 AAEPMFMYVZXNMW-RUZDIDTESA-N 536.484 6.087 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2297458528 BXLJUAWEPNDVRT-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)cc1Cl 2313567128 GVYFFXOEKQZKIJ-UHFFFAOYSA-N 562.497 6.565 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(C(=O)O)cc1 2313567431 HGZIXNUHNGJUSB-UHFFFAOYSA-N 568.367 5.431 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313567894 PBQDTZQTLGIZMK-UHFFFAOYSA-N 532.984 5.092 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2ccccc2c1 2313567958 QMAFKBLXQXCTOH-UHFFFAOYSA-N 538.047 6.337 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc2c(c1)OCO2 2313570739 FFFQKAPNJDAJHM-UHFFFAOYSA-N 637.257 6.850 50 10 KKGE N#CC(=Cc1ccc(OC(=O)C=Cc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 2314548683 UEASMPFYJWVIOX-UHFFFAOYSA-N 513.416 7.256 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314592074 LHISPQXAOMTGRO-SSEXGKCCSA-N 537.729 7.526 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1cnn(C)c1I 2316178247 NFSHFFOCFWQYQW-NSHDSACASA-N 504.029 5.286 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2ccc(I)c(Br)c2)CC1 2325367042 ZYDUSLWFYAFUGN-UHFFFAOYSA-N 589.106 5.735 50 10 KKGE N#CC(=Cc1cc(Br)cc(Br)c1O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2331434431 YKARVDFWSIZYKD-UHFFFAOYSA-N 507.163 6.013 50 10 KKGE Cc1csc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1Br 2337087422 YMMFZVQQBZSPPG-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE CCN(C[C@](C)(CI)OCc1ccc(Cl)c(Cl)c1C)C(=O)OC(C)(C)C 2339411009 KXWKFVWXZCRGJK-IBGZPJMESA-N 516.247 6.269 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Cl)sc1Cl 2339649785 YURLWHJGRZQANO-VIFPVBQESA-N 511.863 7.512 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)Cc2ccccc2I)c1Br 2362238175 USGWSPSGZTWAIZ-SECBINFHSA-N 552.834 7.131 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(Br)sc2C)c1Br 2365233797 GZCMJMQGKFKNEC-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cccc(I)c1 2380943632 ZGYULYAPPISFRF-KRWDZBQOSA-N 508.035 6.970 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCC)c4)ccc32)cc1OC 38660288 YAOFHVZHWKEJIS-GDLZYMKVSA-N 528.605 6.100 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3C)ccc21 38681749 FCFKHCFRJYLALJ-HHHXNRCGSA-N 504.970 5.640 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38685421 SCXHCFCMSGBJCM-LJAQVGFWSA-N 512.606 6.075 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccccc1CCc1ccccc1 40925293 RVBFDVUVDXTUSM-LGUFXXKBSA-N 520.585 5.906 50 10 KKGE Cc1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl 59181273 VDMSBRNROFIKRX-UVHMKAGCSA-N 511.807 5.490 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(C)cc2)cc1OC 97914887 AMCSWCZSPFZNTB-MHZLTWQESA-N 501.067 5.202 50 10 KKGE CCN(CC)c1ccc(/C=C2/CCC(/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)=C2N2CCOCC2)cc1 97983435 ZUGPOUNCYHEYQJ-VRHULYFJSA-N 542.511 6.411 50 10 KKGE CCCCCCCC(=O)N/N=C/c1c(SC)sc(SC)c1/C=N/NC(=O)CCCCCCC 100165612 DPHWWFPFPPVUMP-RPCRKUJJSA-N 512.811 6.813 50 10 KKGE O=C(Cc1cccc2ccccc12)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 100207452 CMWJFMUDLOJDBP-UHFFFAOYSA-N 562.489 5.102 50 10 KKGE Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3Br)c2c1 101134951 WAWSJICOLCJTFC-UHFFFAOYSA-N 541.449 6.238 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1OC 101339289 POXZVVJTQNQTJX-PXLXIMEGSA-N 502.954 5.452 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101372146 GCTOZFATGXRYOI-MUUNZHRXSA-N 567.469 7.398 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382838 JJIUUYQXCQQENU-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387472 CXQSBMQBKWOWEU-HKBQPEDESA-N 621.448 6.923 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390486 QXHAZGJSPOYYFH-OAQYLSRUSA-N 523.397 6.654 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1Cl 101391247 KAZPEUULPIQZKO-XMMPIXPASA-N 543.834 7.263 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 101391874 QWHCBBUBWKWFMZ-HXUWFJFHSA-N 538.368 6.554 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)[nH]c(=O)c2c1-c1ccccc1 103702881 IFAQDNRVXGRXOG-IBBHUPRXSA-N 575.115 6.435 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883223 SYVBVILKPORZTJ-KGENOOAVSA-N 618.302 6.433 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1 103887636 XZSHGRPTLCUIBX-UNOMPAQXSA-N 528.777 6.378 50 10 KKGE CC[C@@H](Br)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920999 FYWPUSMWQOIDNY-MDOUDZBUSA-N 535.651 9.113 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 128266095 JPEMXTOZJQPGHR-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433318 JTMFOHLNYIKYNY-JGCGQSQUSA-N 635.931 7.991 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463483 AONNSGJOUTYCHF-YTTGMZPUSA-N 641.507 8.381 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 150481978 FAFJQOMEBFIQOM-MGBGTMOVSA-N 643.523 7.973 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)c(C)c3)C2=O)cc1OC 150496965 AHKXYPUEYSDKAO-WEMUVCOSSA-N 644.772 7.125 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497436 UJPLFKFTIPXJEQ-WCMJOSRZSA-N 646.534 7.613 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1 150497973 OEOSGJYJEXFPIS-PPOKSSTKSA-N 655.154 7.615 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)c1cc2cc(Br)ccc2o1 164617232 RRFROCKTLRMWDL-VYVUJPJFSA-N 722.986 8.212 50 10 KKGE O=c1cccc2n1C[C@H]1C[C@H]2CN(c2oc(-c3ccc(F)cc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1 210649538 YTMMESVXEUOSRF-YTMVLYRLSA-N 612.665 5.886 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214258795 MMKDHCMATZTFFY-BCDHINTGSA-N 536.676 6.663 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 214377467 KGWMDFCYQAPDPW-RGXNXFOYSA-N 570.693 7.128 50 10 KKGE CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 245204693 GAYMGJQYVVDZLC-ALQMCQFXSA-N 965.425 6.690 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253571284 OTLSPFCDLYBCKQ-LLKOYHOCSA-N 709.662 5.796 50 10 KKGE CC(C)(C)c1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nnc(N)s2)cc1 256028288 CXLMMKADFXXNGS-UHFFFAOYSA-N 534.505 5.002 50 10 KKGE COc1cc(Br)c(Oc2cccc(Br)c2CBr)cc1Br 394738710 HQROWBQHNYFTLX-UHFFFAOYSA-N 529.848 6.670 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)C2=CC(=O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21 504249903 TXHGERUPFAWKNX-NECQMCSYSA-N 583.282 7.235 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@@H]3CC[C@]12C 504427188 FZJXXSXLNFVUGM-PMKFHUMOSA-N 563.705 10.182 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@@H]([C@@H]2O[C@H](SC)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](C)Cl)N(C)C1 605697918 KNWRANWQYPIVSF-HAXADJKXSA-N 641.540 5.967 50 10 KKGE in-vitro Brc1cc2c(c([C@H](Br)c3scc(Br)c3Br)c1)OCCC2 707812279 AFZWNMMIFDELIK-NSHDSACASA-N 545.916 6.845 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)c2-c2ccccc2)cc1 725416762 KGHCBIYCTOLZRN-MGBGTMOVSA-N 571.677 6.952 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](CCl)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 888085441 AVEUCVNGXYJNAM-XKXZHMCDSA-N 673.041 6.524 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1083817475 FQRQNBZZSNQKEG-LOYXZHLMSA-N 781.016 9.435 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2Cl)cc1 1084024967 JRSZARIAMKNXRO-HYARGMPZSA-N 512.997 5.413 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 1084113921 LLJWMKCQGDEQRZ-JOCHJYFZSA-N 536.253 6.299 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 1084245809 IUPLRSVMULJQHZ-UHFFFAOYSA-N 620.775 6.879 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 1084356846 VLDIAGFMRUUUHQ-UHFFFAOYSA-N 645.612 7.869 50 10 KKGE COc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2ccccc2c1 1084425007 RDSJLOCRBCMQKZ-UHFFFAOYSA-N 529.390 6.700 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 1084506851 PFHKQTVSISIVFQ-HSZRJFAPSA-N 684.312 5.837 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(C)c3)c(I)c2)cc1 1084543574 CWQRIDPLWDNLOE-RUZDIDTESA-N 572.443 5.541 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2)cc1 1084611853 IRFQMQDOFJIAIF-UHFFFAOYSA-N 544.677 5.065 50 10 KKGE O=C(N/N=C(\c1cccc(F)c1)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1613973911 GAWBENBWWDUYQM-KKSYLQQYSA-N 598.984 6.945 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772746067 BDHZLIMMNSIUOM-UHFFFAOYSA-N 593.865 6.914 50 10 KKGE CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865685117 FWHASDASFLEQTL-DEOSSOPVSA-N 501.417 7.188 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1c(Cl)cccc1Cl 1865685962 OTZWJNIKPHHTQK-HXUWFJFHSA-N 538.232 6.827 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688096 JEPVDEHCUYRNNR-GDLZYMKVSA-N 550.659 6.473 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688651 XWOVJULACGUXEK-XIFFEERXSA-N 570.693 7.482 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)cc1OCC 1865691433 RXJNBHXYLGGWJI-WJOKGBTCSA-N 562.714 7.401 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865695135 KWAXQLMHQVLFOL-SSEXGKCCSA-N 571.637 6.057 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695688 RJXWHZLVMLWUMC-VWLOTQADSA-N 563.441 6.480 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701074 LAHNDCNLHSNGBZ-MUUNZHRXSA-N 559.497 7.296 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701527 XNZNZNRRDZDCKQ-SANMLTNESA-N 549.433 6.737 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)c1OCc1cccc(C)c1 1865705636 AOYCGERFOLYWLS-NRFANRHFSA-N 512.532 5.672 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1 1865708021 LUXMJIIQNAHQRO-QFIPXVFZSA-N 517.358 5.668 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711891 KVUWTGDUDQOHOT-YTTGMZPUSA-N 569.665 6.596 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2)cc1 1868544459 GFARNUUXLWVCIT-MHZLTWQESA-N 556.135 7.989 50 10 KKGE CC(C)[C@H](/C(O)=C(\C#N)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1872753863 QQUBXYCAVNTLJK-JRXCRPKVSA-N 521.598 6.716 50 10 KKGE C[C@@H](c1ccccc1)N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 1872753997 XRWFBFAWGCHSID-IAURBDDLSA-N 507.615 7.005 50 10 KKGE N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2cccc(Br)c2)cs1 1872784268 HJWWODCWHWCTNC-XQNSMLJCSA-N 523.455 8.369 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccc(Cl)cc1 1873499174 IGAPUWJWHABESL-YKKQWCMESA-N 516.038 5.415 50 10 KKGE CCc1nn(C)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1877187376 CDDKOKVIIYHWEI-SSDOTTSWSA-N 600.794 6.578 50 10 KKGE BrC[C@H](C1CC1)N(Cc1ccccc1)Cc1cccc(Br)c1Br 1915177039 QHUFEDPCHYOBAK-GOSISDBHSA-N 502.088 6.387 50 10 KKGE Fc1c(Br)cccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924593287 DHFMSLAAIBAQIL-MRVPVSSYSA-N 542.287 7.265 50 10 KKGE C[C@@H]1CCCC[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614187 MZBYVRNUNVECFC-ZXFLCMHBSA-N 509.927 7.298 50 10 KKGE O=S1(=O)CCC([C@H](Cl)c2c(Br)sc(Br)c2Br)CC1 1924616583 QNBBASVMTLTVSG-QMMMGPOBSA-N 501.487 5.140 50 10 KKGE Cl[C@H](c1cscc1OCc1ccccc1)c1c(Br)sc(Br)c1Br 1939528990 RBJVXNJZJRNUBV-CQSZACIVSA-N 557.554 8.004 50 10 KKGE C[C@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2003103419 JZSGDSSCAABNHB-ZXFLCMHBSA-N 509.927 7.298 50 10 KKGE Clc1cc([C@@H](Cl)c2ccc(Br)cc2Br)ccc1I 2083329904 IPOWWXUUBUNOOL-CYBMUJFWSA-N 520.817 6.798 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CC3(CCC3)CO2)c1Br 2206396415 WLWMARGDNNLIAQ-RNCFNFMXSA-N 596.777 7.132 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396520 XVSLFBLEYSRVKU-LAKSSQMDSA-N 550.354 7.699 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)sn2)c(Cl)c1Cl 2217609190 WIAKNSYUKXJSJJ-QMMMGPOBSA-N 515.279 7.113 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccsc2Br)c(C)c1Br 2220152357 HBQMSWRSVMRTDU-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Br)c1ccc(I)cc1 2221696840 FTXPPMKZXWZMDO-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccccc2OCc2ccccc2)c1 2263517234 NNIOYYFRCWFZSA-FQEVSTJZSA-N 525.078 7.469 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2267660515 QTBRWOUCNUMVEB-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278103528 VPBPKBPSQHFGRP-AWEZNQCLSA-N 528.072 7.123 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Br)c1F 2288345772 TXPSFKUWZVKQTI-JTQLQIEISA-N 537.793 6.876 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc(OC)c1OC 2295523535 APHBYYVZVHTGLZ-UHFFFAOYSA-N 780.470 6.444 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCC=Cc1ccccc1)c1cc(Br)ccc1O 2295719842 XWMIEYXIZHMGFQ-UHFFFAOYSA-N 530.216 5.773 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1Cl 2296507039 QFELVKJKWZCKDO-HHHXNRCGSA-N 524.045 6.867 50 10 KKGE CCCCCCCCCCCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2297488321 LEFMLFWPQYJPFK-UHFFFAOYSA-N 500.605 8.551 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccccc1 2313541538 NLIGTBSLJXCDHV-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Br)cc1 2313565363 XIOFOPHHFWWGCX-UHFFFAOYSA-N 532.438 5.292 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 2313568252 QNMPFUUBXURQDE-UHFFFAOYSA-N 556.375 6.262 50 10 KKGE CCCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(SCCCC)cc2)C(C)=C(C#N)C1=O 2314611507 WBPYBZNOHHYZNU-UHFFFAOYSA-N 552.744 7.604 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C(C)=C(C#N)C2=O)cc1OC 2314616695 HPFLJTMZGFGBFW-UHFFFAOYSA-N 502.954 5.452 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 2314618183 IRIYXGLXLVFERR-UHFFFAOYSA-N 508.509 5.072 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 2314618567 PSGDVCMMYYAZQN-UHFFFAOYSA-N 529.600 5.434 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(C)=C(C#N)C1=O 2314618980 XRPLPAVOLBDFQB-UHFFFAOYSA-N 579.056 6.010 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2c(Br)c(Br)nn2C)c1C 2316732302 UYTKXCGGHUJBGV-ZCFIWIBFSA-N 521.898 5.870 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1cccc(Cl)c1 2321672261 WLDJWSJWENGDFW-UHFFFAOYSA-N 502.014 6.442 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331331268 YXKUXHGIFHHMIJ-GFCCVEGCSA-N 519.804 6.257 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccc(C)cc1 2331443828 AYOXDLYGPBFIIT-UHFFFAOYSA-N 507.442 8.077 50 10 KKGE Clc1cc(Br)ccc1C[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336081959 WHYWSNKEZLRFML-HXUWFJFHSA-N 515.072 7.967 50 10 KKGE BrC[C@@H](Cc1ccc(I)c(Br)c1)c1ccccc1Br 2349857797 XMMFMYHMQSEUCT-LLVKDONJSA-N 558.877 6.537 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)c(Br)nn2C)c(C)c1Br 2364035656 FJSMQKWQCWKSKL-LLVKDONJSA-N 550.314 6.415 50 10 KKGE N#C/C(=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2670516 YDYNADZPBIYVNG-XFFZJAGNSA-N 519.228 7.837 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br 14640732 VEDSIGNZAIPBEX-UHFFFAOYSA-N 518.452 5.205 50 10 KKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14665881 VPRWQQUWHSDEAU-HXUWFJFHSA-N 515.654 5.762 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 38676746 ZGKJNTNIJIZFSI-MHZLTWQESA-N 505.486 5.824 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812233 CBSOZTNKRZHTKQ-RDRPBHBLSA-N 500.433 5.238 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NC5CC(C)(C)NC(C)(C)C5)c(C)c43)coc2c1C 40826775 TZWIYCGWNQFTCZ-GZZLJNBRSA-N 532.685 5.389 50 10 KKGE Cc1cc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)[nH]c2cc1C 50574790 DTTKWHOPDGYDTE-UYRXBGFRSA-N 506.484 6.160 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 100154519 APARJICOUMWNQR-UHFFFAOYSA-N 519.667 5.417 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100211974 CHDHASOYCZGPNL-UHFFFAOYSA-N 545.433 5.578 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3cccc(F)c3)cc2Br)cc1 100233523 PIADNRMLWVDCEM-LCVHJTKWSA-N 559.432 5.538 50 10 KKGE CSc1sc(SC)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1/C=N/NC(=O)c1ccc(Cl)cc1Cl 100379904 SRVTVXXJKOFQKW-YEBYOEETSA-N 606.409 7.333 50 10 KKGE CC1(C)CC(=O)C=C(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)C1 100935518 CIXBEJMQXLVNBN-UYHISHBKSA-N 527.091 5.488 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245447 UNRYRXLEJRSJGQ-IEQIIXMPSA-N 535.591 6.641 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C)c(C)c2)c1 101245850 VIKNJHWIXPEPMS-UZEPBSNMSA-N 535.591 6.696 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3OC)N(c3ccc(C)c(C)c3)C2=O)cc1 101246823 OXZKDATXDIXDEH-DNWDVRSHSA-N 539.701 6.720 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379696 PLKATUMXRDUOOC-MUUNZHRXSA-N 577.851 7.663 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 101387744 UEQJWGSXBWHFJI-WJOKGBTCSA-N 601.486 7.717 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(C)cc1 101387827 LWZXVIHNOLPCGH-DHYKOVJISA-N 594.639 6.703 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)oc2c1 101391523 MZZHABXHAIXFJD-VWLOTQADSA-N 529.390 6.558 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5sc6ccccc6c5Cl)ccc43)c2)cc1 101398172 VTHCZYJVSVVVCL-GDLZYMKVSA-N 579.077 7.880 50 10 KKGE Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1Cl 103740238 XPUGRFFOZLUTNY-XODNFHPESA-N 559.791 5.233 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2c(C)cccc2Cl)o1 103929332 KHJOLNINENMDIH-YIKLROOMSA-N 565.099 5.841 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 104424652 UFBABDIPUVQFAV-UHFFFAOYSA-N 560.727 6.279 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(F)cccc1Cl 150498774 JGYWRSFSZLBUEP-IURWMYGYSA-N 634.980 7.585 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](CO)C[C@H]1O[C@H]1CCCCO1)O[C@H]1CCCCO1 205905495 YDBVEJCYLUWJQS-BNWQZKSZSA-N 630.983 8.818 50 10 KKGE CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OC 206684059 SQFCHOSZVFEVPQ-JXGQZURYSA-N 530.577 5.318 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 214311027 XXAFNKMDHVRJMQ-RHANQZHGSA-N 543.627 5.824 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1OC 214383926 QNOQKGJZHJNSRN-QFEZKATASA-N 574.593 5.078 50 10 KKGE C[Si](C)(CCCCCCCCCCCOc1ccc(C(=O)O)cc1)O[Si](C)(C)O[Si](C)(C)CCCCCCCCCCCOc1ccc(C(=O)O)cc1 221990400 XEIPILHXBLXWKQ-UHFFFAOYSA-N 789.288 12.708 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)s1 235814344 NMDPNXXNNHJGIU-NSHDSACASA-N 506.428 6.514 50 10 KKGE CCCCCCCCOc1ccc(C(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 252596735 CMCYNFXKFAJDQO-UHFFFAOYSA-N 522.667 6.266 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 254823627 IGHJYFYNCXGBBL-UHFFFAOYSA-N 530.621 5.877 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1cc(I)cc2c1OCC2 312386637 SFBVMIKYJRVBSJ-ZDUSSCGKSA-N 511.954 5.612 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Cl)ccc2I)[C@@H](CI)C1 382728588 SJMVKBRRVOAONC-YOEHRIQHSA-N 581.619 5.732 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1ccc(O)nc1=O 575229548 XOHRAGVYVNTJQV-CFNXAKABSA-N 600.788 5.606 50 10 KKGE in-vitro COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 575603715 IVZDMJHGZKCMBW-ZZPSAGSHSA-N 507.715 7.086 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 575627168 WPTTVJLTNAWYAO-KUDMWSLDSA-N 505.699 6.379 50 10 KKGE CC1=CC(/C=C2\C=CC(/C=C3/C=CC=N3)=N2)=N/C1=C(\C)c1[nH]c(OC(=O)c2cccnc2)c(O[Si](C)(C)C)c1C 575629614 AKOAOENKLWTWSF-QFHMBRAQSA-N 549.707 6.702 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1COC(=O)c1ccccc1 616589844 YYUGVIOYZAQJHH-VMKAUIRSSA-N 789.947 7.885 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CCl)OC(=O)CCCCCCCCCCCCCCCCCCCCC 888086713 MFRRUFKMHQGENX-GWHBCOKCSA-N 755.694 16.324 50 10 KKGE CC(=NNC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 1082753687 QVRVCHZLVYHEMR-SSEXGKCCSA-N 684.634 5.264 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[c-]2cccc2P(c2cccc3c2=C[CH-][CH-]C=3)c2cccc3c2=C[CH-][CH-]C=3)c1 1083049505 UMASCDZNERECRE-XIFFEERXSA-N 617.733 5.558 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc2ccccc2c1 1083944122 LKFFYNWTRALLBD-PMERELPUSA-N 522.645 6.510 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 1083974953 DGURHKHWAJTHCK-MTJSOVHGSA-N 570.281 6.413 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 1083999694 DNSTVHLMEHVNJB-GRSHGNNSSA-N 530.249 7.497 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084243887 JLTFPKNXTUANFP-UHFFFAOYSA-N 528.678 5.052 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1 1084280977 ZBRZRDWPOUWDSE-UHFFFAOYSA-N 644.569 8.720 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084429452 UFRRMQNSKNVCTH-RUZDIDTESA-N 527.448 6.273 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084563944 BOJQPKDLWRAWFS-UHFFFAOYSA-N 581.094 5.110 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1Cl 1084651462 OQZRXVAECWVOCY-UHFFFAOYSA-N 503.780 5.550 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H]2CN(Cc3ccccc3)C[C@H]2CI)c1 1614694619 PYESVRNEJCYLGF-RHSMWYFYSA-N 524.162 6.119 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OCC 1865687729 YWSBLIBUTVDSJK-OAQYLSRUSA-N 532.950 6.340 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)cc(Br)c1O 1865688937 FXNLQKLFRHHQJA-MRXNPFEDSA-N 555.738 5.298 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc1 1865690317 OJSHBHQNLYGOLV-OAQYLSRUSA-N 516.951 6.391 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690513 TVYMZRBCOGLOHB-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865692893 GNHMZUPLPMFQFR-MUUNZHRXSA-N 527.024 6.089 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693382 NSMDMRBNSKBZSV-NDEPHWFRSA-N 508.597 6.129 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703474 WMVPGKBBNDTPSR-RUZDIDTESA-N 517.416 6.539 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)cc1 1865706880 HTEFDRYGRQYDJB-MUUNZHRXSA-N 503.650 6.451 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865708926 JJPGFAPHFJLYJB-HHHXNRCGSA-N 564.086 5.342 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867066417 NGXJYQLPMAJWII-DEOSSOPVSA-N 530.650 5.821 50 10 KKGE CSCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)Nc1ccc(SC#N)cc1 1867132763 WYIHFSOSTOZESD-RCZVLFRGSA-N 525.646 5.937 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)c2ccc(Cl)cc2)cc1 1867209999 ZQVRCXPUQRETDV-KAYWLYCHSA-N 568.164 6.710 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(C(C)(C)C)ccc2C)cs1)N1C(=O)c2ccccc2C1=O 1872755753 DQUIWMUGANKNBQ-KBIIDJLVSA-N 513.663 6.920 50 10 KKGE Brc1sc(Br)c([C@H](Br)CC[C@@H]2CCCO2)c1Br 1924582976 DNXQNTLMKPGNSL-NKWVEPMBSA-N 511.899 6.431 50 10 KKGE CCC[C@H](C(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924614623 PPTJNSPLTQNJRS-APPZFPTMSA-N 511.943 7.544 50 10 KKGE CC[C@]1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCO1 1924616554 QIIHWGGQYZRURF-LDYMZIIASA-N 511.899 6.431 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(CBr)cc1Br 1941556730 QCWMVMSMZHPMBR-UHFFFAOYSA-N 581.815 5.047 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)s1 1945189389 POPXKANHYDCIFT-QMMMGPOBSA-N 523.935 7.144 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(I)sn2)c1Br 1983293908 YYOGSQJUUBEAQB-ZETCQYMHSA-N 557.896 6.127 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)s1 2024281116 CNFZWTRGAZCSRN-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012741 IROZDSOIJMGVCC-RVABBKQCSA-N 812.941 15.172 50 10 KKGE Cc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 2040448324 LXPILTLQBQALOL-UHFFFAOYSA-N 518.543 5.594 50 10 KKGE COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1Cl 2042438346 YTNRXVACOAKLEC-UHFFFAOYSA-N 548.049 5.729 50 10 KKGE CC1(C)OCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2066882474 BWLWSYIOZALITH-XPUUQOCRSA-N 525.926 6.677 50 10 KKGE COC(=O)c1ccc([C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CCN2C(=O)OCc2ccccc2)cc1 2081076074 WNAMOBFMCLSFSN-QIKUIUABSA-N 607.823 6.892 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2coc(Br)c2)c1Br 2081081647 HXBOWGAHXZTORW-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)n1 2083341374 YRQLGPGTEXBPCU-LLVKDONJSA-N 501.842 5.675 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC12CCC2 2085496430 WPAQPHACSFPIND-INWYIAFRSA-N 522.300 7.207 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141469937 XSLMRXCDYWGPHT-GFCCVEGCSA-N 576.746 7.529 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12C[C@H](CCO1)C2 2141470825 LCNYNRQWSZQARO-SQPCXJJOSA-N 538.299 6.586 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1)c1c(Br)c(Br)cc(Br)c1Br 2141477061 KPZWIMMJPRYIJL-ZDUSSCGKSA-N 597.164 7.827 50 10 KKGE CCC(F)(F)C(C)(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397523 KAYVFQPRWLUERG-LLVKDONJSA-N 606.763 8.244 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)c1 2206405821 QVRLJEUGNKJQHN-ZDUSSCGKSA-N 587.158 8.372 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2224319237 DIMXORJXIFPZSA-VIFPVBQESA-N 512.254 6.390 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(F)c1Br 2225632587 DFYIJZKQYLSSLH-LBPRGKRZSA-N 519.803 6.737 50 10 KKGE CCc1cc([C@H](Br)c2scc(Br)c2Br)sc1Br 2248056970 KQLNEJZUXKGNOQ-VIFPVBQESA-N 523.935 7.144 50 10 KKGE Clc1cccc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 2248096011 KAOPWJNCNMOROJ-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE COc1c([C@H](Br)c2cc(I)sn2)cc(Br)c(C)c1C 2269163416 BTKIAHZDVKFPTG-LBPRGKRZSA-N 517.024 5.620 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)sc1Br 2272729823 SKKBNOBEGWGGOE-MRVPVSSYSA-N 604.728 7.561 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1scc(Br)c1Cl 2277889175 NNBPGXXLLAAZRB-VIFPVBQESA-N 509.872 7.073 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)c1 2278103482 VEQZUIORIMWLGN-ZDUSSCGKSA-N 545.941 7.735 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)cc2C)cc1Br 2286458390 MMVDQPMOXPFTFX-OAHLLOKOSA-N 501.871 7.620 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2313556612 FWYFLNJMTUGXTA-UHFFFAOYSA-N 554.861 6.982 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567726 NLNRTCIRRUTINR-UHFFFAOYSA-N 725.368 6.884 50 10 KKGE Cc1cccc(COc2ccc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)c1 2313567776 OMEYJVUEZVQZGQ-UHFFFAOYSA-N 516.439 5.592 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592358 RSAZBSOEMAXQTB-RUZDIDTESA-N 536.484 6.984 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C(C)=C(C#N)C1=O 2314610536 JENZAHMSOPTOQJ-UHFFFAOYSA-N 540.639 6.640 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)c(Br)c(C)c1Cl 2314770619 NBNVJXMHJLUSPO-UHFFFAOYSA-N 543.801 5.520 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Br)ccc1Br 2316832224 HZOCEWNERLZSPK-MRVPVSSYSA-N 566.711 5.954 50 10 KKGE CCc1sc(NC(=O)C(C#N)=Cc2cccc(Cl)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 2329687281 FBHFWEOYHUCCJD-UHFFFAOYSA-N 529.843 6.726 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3cccc(OC)c3OCc3ccc(Br)cc3)nc2c1 2331046519 LLRDZFFNUDJLPO-UHFFFAOYSA-N 546.377 5.536 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccc(Cl)c3)cs2)cc(Br)c1OC 2331294125 SOLJGPJZMQLCKB-UHFFFAOYSA-N 503.805 6.749 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccccc3OCc3ccc(Cl)cc3)n2)c1 2331470836 PKRWOHPRLPGNSS-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE N#C/C(C(=O)Nc1ccccc1F)=C1\S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 13563415 YEOQTKPIKMKJOC-DIWDRYHZSA-N 512.393 6.197 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38649707 HVBCFSOROZPVIG-XMMPIXPASA-N 503.396 6.184 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)c1 38660912 YZBMEGYEPLNWGJ-LJAQVGFWSA-N 504.542 6.315 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 58893877 MRWUQNVTSDEIHL-PCYMAAINSA-N 519.400 6.074 50 10 KKGE CCCN(CCC)c1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 59165595 YQLXYRLUPUPUGC-OVVQPSECSA-N 505.531 5.686 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 59335787 IYGSAUVEWHVTJY-ZDLGFXPLSA-N 516.222 7.189 50 10 KKGE N#CC(/C(O)=N/c1cc(Cl)ccc1Cl)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 97968670 CQBJGBBFDILHSD-RYEBZEHMSA-N 563.293 8.015 50 10 KKGE N#CC(/C(O)=N/c1ccc(Cl)c(Cl)c1)=C1\S[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 97968676 ULIDCJJXUGCFDY-UDXHRHDRSA-N 562.400 7.727 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 100236161 MDTLEVSRWSECLS-APTYXWLQSA-N 599.478 5.488 50 10 KKGE Cc1ccc(C)c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100921877 MYABZAAKWMNZTH-DOPJRALCSA-N 508.092 5.928 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244927 NMPBDMBXCUULFZ-NNHPPCHPSA-N 502.039 6.276 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245649 DJHIHAQAUCWYPE-FYAMCCBRSA-N 548.462 5.831 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101367646 NXBXWSMLYDKCNG-NDEPHWFRSA-N 569.441 6.383 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101368277 ADXXYKKPGIRLDS-VUKSNCGASA-N 545.035 6.610 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101377476 AHRIPKPQKXGJOU-XMMPIXPASA-N 525.388 6.228 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381331 PYASFPQGNFVSPU-JGCGQSQUSA-N 601.486 7.337 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382980 YFJMWVQWZPWNIY-JGCGQSQUSA-N 581.068 7.535 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388718 RLPPHZGBMDMPLU-XSJBNIOMSA-N 625.121 7.471 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 101389008 UKHWZBOUCRFHKN-UMSFTDKQSA-N 608.666 7.420 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101392799 DZPJINWMMNRIQT-QHCPKHFHSA-N 553.423 6.663 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101397159 STIZFGRODCDQEP-LJAQVGFWSA-N 587.141 8.650 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(Br)cc6c5C)ccc43)c2)cc1 101398256 GHOIQOKOKAZWQU-HKBQPEDESA-N 621.487 7.829 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)CC1 101399762 JIYIULHDIITHBH-AKIURYFPSA-N 615.170 8.438 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399947 KCUKGNGXNOCVSJ-XIFFEERXSA-N 604.634 7.604 50 10 KKGE Cn1c(Cl)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1Cl 102458504 SERCEELXHWWBCH-KBVBXEEASA-N 574.424 5.577 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccco1 103806486 UJKHBXHLJSKXES-HZFWYARUSA-N 575.628 5.392 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 103878364 BSNAKUQWTXHTSD-JEPNHJGPSA-N 582.473 7.697 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430337 ODTJHPFAGPIYNT-WJOKGBTCSA-N 665.957 8.461 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccc(Cl)cc1Cl 150484331 BNHIFBXSVBJELC-WJOKGBTCSA-N 648.455 6.692 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2ccccc2o1 150640504 KIAFMUPKNAOTDF-RPPGKUMJSA-N 667.197 5.893 50 10 KKGE CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)O[Si](C(C)C)(C(C)C)C(C)C 198028140 NQGNRUOAOBYLJG-NGDRWEMDSA-N 510.920 10.370 50 10 KKGE in-vitro C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](CP(c1ccccc1)c1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 207622425 XHYZJEQNKWDJPN-VUVDHCLXSA-N 724.999 7.509 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)cc1Br 235812231 AFRLCYVAKYCMSS-AWEZNQCLSA-N 623.746 7.371 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1 252610491 IBQBJOZIYANJQL-IQQPTTPSSA-N 509.437 5.761 50 10 KKGE CC(=NNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 252630207 UXAMVUJCFJKZRV-UHFFFAOYSA-N 534.794 6.456 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@@H](Br)C23CCCCC3)c(I)c1 380605507 OEQVMZSDUFFNFG-OLZOCXBDSA-N 581.457 6.414 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2)[C@@H](CI)C1 382739414 YTUYVQPWUZNDKY-FUHWJXTLSA-N 500.174 5.236 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@H](OC(=O)C[C@@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O 504156921 OIGMHIMRSGHQEE-KFOTVXSYSA-N 926.263 6.456 50 10 KKGE in-vitro CC(C)(C)OC(=O)NCCN1c2ccccc2NC[C@H]1c1ccccc1CCO[Si](C)(C)C(C)(C)C 616583684 FCDMWJMBIRFEGJ-SANMLTNESA-N 511.783 6.749 50 10 KKGE COc1ccc([C@H](Br)c2scc(Br)c2Br)c(Br)c1 707832366 XZTGUNREXYDQOH-JTQLQIEISA-N 519.878 6.529 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(Cl)s1 721594727 RGFBMQIECNFOQN-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 724909583 OHOVPYOFDZTFDR-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE O=C(NCC(c1ccccc1)c1ccccc1)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238759 XBUNSNCWWYTRPA-HHHXNRCGSA-N 557.037 7.028 50 10 KKGE CCCCCC/C=C/C=C/[C@H](CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C/C=C\[C@H](CCCCC)OO)OC(=O)CCCCCCC/C=C/C=C\[C@H](CCCCC)OO)OO 725423200 SOQCDTNXVWQPLF-CPBALRHGSA-N 989.426 16.220 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1cccc(F)c1 1084012352 WWVIYEQVXKYUFV-LZYBPNLTSA-N 597.211 6.870 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3cc(C)ccc3C(C)C)cc2)c1 1084068611 VYCIFJLLLMFJIQ-UHFFFAOYSA-N 542.680 5.608 50 10 KKGE O=C(CCCCCCCCCCC(=O)NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1 1084099652 UJOYWHYWIDXANH-UHFFFAOYSA-N 592.376 6.713 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1 1084247835 WOVXPWDXZVOOII-UHFFFAOYSA-N 565.493 5.202 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1 1084292936 CTXDLVRHKXEKIY-XMMPIXPASA-N 559.432 5.538 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084345235 PISWUQIJQASVAQ-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 1084418203 APCANEINNXODIG-HSZRJFAPSA-N 529.406 5.530 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084479909 VOLFCVSIPBIOET-MKMNVTDBSA-N 696.981 8.792 50 10 KKGE COc1ccc(NC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084545822 JBFNUNMWZLDWOY-UHFFFAOYSA-N 555.704 6.759 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2ccccc2o1 1084553941 GNHWJOWNCRBOIQ-UHFFFAOYSA-N 552.639 7.498 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084555231 DBZFHRXQVNHSRH-UHFFFAOYSA-N 600.535 5.293 50 10 KKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084643408 IQDCHAJAZRBVPU-UHFFFAOYSA-N 514.025 6.834 50 10 KKGE O=C(CSc1cccc2ccccc12)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 1565518877 MPRPLMPRIGIYCH-UHFFFAOYSA-N 518.469 7.392 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cc(C)ccc2C)ccc1OCc1ccccc1 1865687454 ROJCMPVWYQTEOP-JGCGQSQUSA-N 568.677 7.021 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)ccc1OCCc1ccccc1 1865688635 XORXHOLYKSJQOS-MHZLTWQESA-N 557.448 5.792 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)cc1OC 1865691764 AIJAFCBXFJPDMH-JOCHJYFZSA-N 557.876 6.256 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865694869 DLDJGDIXVCEWLB-MHZLTWQESA-N 529.015 6.474 50 10 KKGE COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)c1O 1865696685 QDXUEUKGKFLYIE-HNNXBMFYSA-N 541.711 5.239 50 10 KKGE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700814 DZTABPWLICWLCV-RUZDIDTESA-N 503.389 6.285 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704311 SINXBASVWPXCIA-SANMLTNESA-N 514.988 6.083 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OC(=O)c1ccccc1 1865704936 ILVHJVAANFAFEA-RUZDIDTESA-N 512.953 5.280 50 10 KKGE Cc1ccc(OCc2nc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cs2)cc1 1866585974 OLSFMWJQPGXKND-HHHXNRCGSA-N 528.659 5.642 50 10 KKGE Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1866667357 NPDYIJFMTCTYLS-VWLOTQADSA-N 531.037 5.785 50 10 KKGE COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)c(C)o2)cc1 1866678286 PXMWSXQEXMAJGT-AREMUKBSSA-N 512.591 5.271 50 10 KKGE Cc1nc(C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)nn1C 1868433559 NTZFNWXCZZSDOS-UHFFFAOYSA-N 517.062 5.935 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(C(C)(C)C)cc4)cs3)CC2=O)cc1 1872750993 PICZESYLKFBSJD-HZYJKNPPSA-N 515.635 6.130 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1Cl 1872757322 ACNJIRGBYACEKR-NMWGTECJSA-N 517.950 5.811 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1915131316 VMQOGBDSRXHKPS-CYBMUJFWSA-N 504.060 6.028 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccccc2Br)c1Br 1922938904 FYWQMJVCUQGGAS-SNVBAGLBSA-N 503.879 6.828 50 10 KKGE CCC[C@@H](CC(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605729 WFQMKBDXNIXPLT-WPRPVWTQSA-N 525.970 7.934 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCNCc1cc(Br)ccc1Br 2010826064 VXSONBQHMUSDPH-UHFFFAOYSA-N 500.322 5.207 50 10 KKGE Brc1ccc([C@@H](Br)c2sc(Br)cc2Br)c(I)c1 2026211520 MHBNKSFMTNWQJL-SNVBAGLBSA-N 615.748 7.125 50 10 KKGE C[C@H]1C(c2ccc(CO)s2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H]12 2037697984 NUOMWFVMIZVBES-SMGXNKOPSA-N 572.756 5.490 50 10 KKGE Cc1nc(Oc2c(I)cc(Cl)cc2I)sc1CBr 2046002293 LDEPMYQEFHWJEJ-UHFFFAOYSA-N 570.415 6.001 50 10 KKGE COc1ccc(N2C(c3ccccc3)=CSC2=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 2053607094 MWZHWGRGJOCCFY-UHFFFAOYSA-N 534.645 5.557 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(I)c1OCc1ccccc1C 2053623214 MCGUELKUTUSLDM-UHFFFAOYSA-N 606.382 7.142 50 10 KKGE C[C@](CI)(OCCOCCOCc1ccccc1)c1ccccc1Br 2056733525 HPPFJIVQUOTCEI-HXUWFJFHSA-N 519.217 5.349 50 10 KKGE C[C@H]([C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@@H]1CCCCO1)S(=O)(=O)c1ccccc1)[C@@H]1CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]21C 2070218154 XQYLJEMUWJOIKN-QKBUZHHOSA-N 651.039 8.391 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2sc(Br)c(C)c2Br)c1Br 2072301412 XDIYNNRQUDTZOX-MRVPVSSYSA-N 521.898 5.870 50 10 KKGE Brc1ccc([C@@H](Br)c2cc3sccc3s2)c(I)c1 2086145110 ISZKBELEFNXUGD-CYBMUJFWSA-N 514.045 6.814 50 10 KKGE O=S(=O)(c1cc(CBr)ccc1Br)N(Cc1ccccc1)C1CCCCC1 2123268074 KABMOYCWOJPCAY-UHFFFAOYSA-N 501.284 5.868 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CCC[C@@H]21 2141468824 NZJCKOVHYIHMKR-FICLDZOFSA-N 536.327 7.453 50 10 KKGE C[C@@H]1OCCO[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469497 VOIDXOQLAXOEIB-WQAUNQLMSA-N 542.287 5.820 50 10 KKGE Cc1ccccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469782 WWGUVUJCININHO-LBPRGKRZSA-N 576.746 7.529 50 10 KKGE FC(F)(F)C(F)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469786 CDDDNFURNRVUIA-SSDOTTSWSA-N 604.625 7.370 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)cc1Cl 2148748199 AGUZHNAKUWKXHN-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE FC(F)(F)c1cc(Br)cc([C@H](Br)c2cc(Br)c(Br)s2)c1 2172411941 IWRIWHKALGNHTL-JTQLQIEISA-N 557.849 7.539 50 10 KKGE FCCOc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 2189495945 WKEXWQPKQLNRBI-JTQLQIEISA-N 507.444 6.759 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@H]1C1CCCCCC1 2199985702 CSGAJFKTEFQWBF-CWSCBRNRSA-N 505.541 7.922 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cc(Cl)ccc1Br 2203003211 QZTXYDSWDQGMHF-CYBMUJFWSA-N 503.843 7.011 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CCC23CCC3)c1Br 2206397056 DOLRLBBINLBQHH-IUCAKERBSA-N 594.805 8.143 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1Br 2279046984 KAUITMHUKKAOTH-CQSZACIVSA-N 503.843 7.011 50 10 KKGE COc1ccc([C@H](Br)c2c(F)cccc2I)c(Br)c1Cl 2283546705 HXPMWMHJEBCLNP-LBPRGKRZSA-N 534.388 6.339 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)n2)cc1OC 2296790085 NGXNHGAEWJZUDE-UHFFFAOYSA-N 560.675 8.049 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C(=O)OC)c1C 2296790238 YNYGQNJICWDBIP-UHFFFAOYSA-N 532.441 5.882 50 10 KKGE C=C(C)Cn1c(SCC(=O)NN=CC=Cc2ccccc2OC)nnc1-c1ccc(Br)cc1 2297298378 WAFVDBSEFGCAQH-UHFFFAOYSA-N 526.460 5.200 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2sc(Cl)cc2I)n1C 2300955475 MQXIQEKYNWJUIY-SSDOTTSWSA-N 510.420 5.295 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 2313567465 HYVYZHSKYSERIV-UHFFFAOYSA-N 526.774 6.444 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(C)=C(C#N)C2=O)cc1OC 2314617524 ZVIGTZDRALSILJ-UHFFFAOYSA-N 577.464 6.425 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)c(C)c1 2314619019 YGBAIRZWRBEGIQ-UHFFFAOYSA-N 524.621 5.265 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 2314634384 LFRRHRCVYCSHSS-XIFFEERXSA-N 566.698 7.255 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646557 CCJLPHKCSANYKR-MUUNZHRXSA-N 646.725 5.029 50 10 KKGE COC(=O)C(C#N)=Cc1ccc(OC(=O)C=Cc2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 2314736758 UZIRMHJCEJNBNL-UHFFFAOYSA-N 513.546 5.290 50 10 KKGE CCOC(=O)C(C#N)=Cc1cccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)c1 2314754913 IBTRHTKBKBVIAQ-UHFFFAOYSA-N 506.352 5.571 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)n2)c(OCC)c1 2331386625 UEORSRWFGOFVFB-UHFFFAOYSA-N 503.580 5.562 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1Cl 2331398044 XOKXEOOWVZEWKD-UHFFFAOYSA-N 516.450 6.909 50 10 KKGE Cn1ncc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1I 2337094256 NHGSJYMWJZNHPV-QMMMGPOBSA-N 587.250 5.827 50 10 KKGE Clc1ccc(CO[C@@H]2CCCCCC[C@H]2I)c(I)c1 2340111207 YXAXLZGSNKOVKM-UKRRQHHQSA-N 504.577 5.988 50 10 KKGE BrCc1cc(OCc2ccc(I)c(Br)c2)ccc1Br 2349811732 WGQBVOYCASQIAI-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2ccccc2I)c1Br 2365189405 UVLJJZPSLQDSEB-CYBMUJFWSA-N 574.876 6.618 50 10 KKGE Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1cc(Cl)ccc1Cl 2727573 YOEOMMMBEFLMAW-XMMPIXPASA-N 513.490 7.353 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 38684518 VFRCDIVHVNQZDN-DEOSSOPVSA-N 503.352 5.451 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)oc2ccccc12 38701124 JTZTWYBYDHVAKS-MUUNZHRXSA-N 508.574 6.604 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccc2ccccc2c1 100227387 YRKQNGXQUNIDHA-KPHTWCJLSA-N 608.476 6.386 50 10 KKGE N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 101036809 QEEAFDSFOBDEOV-RUZDIDTESA-N 571.514 8.635 50 10 KKGE CCCCCCCCCOc1ccc(C(NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl)cc1OC 101118298 IANFLIBIPQKULL-UHFFFAOYSA-N 516.293 5.663 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337422 SRKONVPDPFDKGP-LNVYCVNDSA-N 528.612 6.291 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338111 UZKNVLNTTOGYCJ-ZTKZIYFRSA-N 544.680 6.486 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 101339935 QWLWMVJRENNWRZ-RDRPBHBLSA-N 558.638 6.048 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)ccc1OCCC(C)C 101375149 KVWMBCPCXHEAHS-YTTGMZPUSA-N 556.659 6.275 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383010 SIKWOGTYOBVZPU-JGCGQSQUSA-N 567.041 6.684 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383898 LVCCFIBGYOZAHT-YTTGMZPUSA-N 550.586 6.170 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 101388077 RQZAZPMFULACJF-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4)cc3)c(C)c2c1 101390943 XEKXVPNCJAJSDA-JGCGQSQUSA-N 556.618 7.320 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101392991 KGNRBCMJTOUKFH-AREMUKBSSA-N 561.059 7.180 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1c(Cl)cccc1Cl 101394303 WPISLFLQAVVLOS-FQEVSTJZSA-N 562.261 7.952 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)oc2cc(Br)ccc12 101394523 WGDJFGGPSMIRKG-JOCHJYFZSA-N 553.771 6.734 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)ccc1OCCC(C)C 101395751 MKTSSORUVOXBLF-MUUNZHRXSA-N 589.113 7.816 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(C(C)C)cc1Br 101711682 RZDRKMMNEBYYCN-IPPBACCNSA-N 529.862 6.642 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(Br)c(Br)s2)c(OCC)c1 101760097 BTDQWDHHRZVBLY-KPKJPENVSA-N 529.206 5.361 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccc(O)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 103706996 DSNZMYYWSJLENT-MUFRIFMGSA-N 526.643 5.371 50 10 KKGE O=C(N[C@@H](CSSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O)C(=O)OC1C(=O)CCC1=O)OCC1c2ccccc2-c2ccccc21 150338996 MBRQYUJEOBEYKL-ZPGRZCPFSA-N 877.950 5.633 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccccc1Cl 150441799 ZKQCYIKYVLMGMS-JGCGQSQUSA-N 661.936 7.283 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccc(Br)cc12 150483389 MEAZKRKKCLRKPZ-PMERELPUSA-N 676.350 8.827 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 164616513 GQVJSXLFODZPME-JEPNHJGPSA-N 639.506 7.475 50 10 KKGE C[C@H](CI)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 195996586 LVIFSGTVHZZZPF-ATMBCGGBSA-N 618.738 7.868 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205776373 YYBGTKWJPUPYGO-AOYMVWLXSA-N 646.769 5.943 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(I)c2)c(OC)c1Br 224862982 ABNPMUDGFNVMBF-ZDUSSCGKSA-N 511.979 5.555 50 10 KKGE Cc1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)cc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 231946591 OGULKIQAUSYNBV-UHFFFAOYSA-N 658.806 8.756 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1cc(Br)sc1Br 236039503 GNVIVNDVVILPJV-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NN=Cc1c(O)ccc2ccccc12 252600758 DULJQPOWNFVQIZ-UHFFFAOYSA-N 542.444 5.193 50 10 KKGE CC(=NNC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 252610004 HXJYSIYCFJJQBM-UHFFFAOYSA-N 536.847 5.640 50 10 KKGE CC(=C/c1ccccc1)/C=C(\NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)cc(Br)c1O 252620819 MMPCNKKUDUBXJX-HMLYOPHXSA-N 583.280 5.785 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253570035 NBTDYVVKZBJIOZ-VVNQULFPSA-N 697.651 5.652 50 10 KKGE COc1ccc2cc(C(C)=NNC(=O)c3ccc(COc4ccccc4-c4ccccc4)cc3)ccc2c1 254449170 NCDPDDCDHQFCAB-UHFFFAOYSA-N 500.598 7.248 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3c(OC(=O)c4ccc(C)cc4)ccc4ccccc34)cc2)cc1 254700940 JOEUUCLROLSTRQ-UHFFFAOYSA-N 528.608 7.019 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)sc1Br 300464568 LSQZLXLLLVDUFR-NSHDSACASA-N 506.428 6.514 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ccsc1Br 388882810 JDYGMIHFLOZNAZ-UHFFFAOYSA-N 519.878 6.510 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@H]1[C@H](CCCCCCC(=O)OCc2ccccc2)C(=O)C[C@H]1O[C@H]1CCCCO1)O[Si](C)(C)C(C)(C)C 504017794 DXVSMWCKXOCOJF-SUXQTHPESA-N 680.990 10.184 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(O)nc(/N=C/N(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575123903 ZMYHWWMTLTYFOW-KRHJCJCJSA-N 954.195 10.333 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 616590360 QXQZQDMMTWVWDX-VEJIKZNJSA-N 654.920 8.706 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(Br)sc1Br 721594075 NLMIHVATYMXDFD-SNVBAGLBSA-N 571.297 6.968 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c2ccccc2C)cc1 725404812 UCPDUVBQGYQIGW-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(Br)c1OCc1ccccc1Cl 1084027910 BUWLZRONIKHWMJ-UHFFFAOYSA-N 608.942 5.223 50 10 KKGE C=CCOc1c(Cl)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084035643 HHDXBHPVFRCWES-UHFFFAOYSA-N 548.868 7.197 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084103781 LHAVQMOHNJYZMW-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3cccc4ccccc34)cc2Br)cc1 1084111646 UMIYTXBMSQAZIY-LJAQVGFWSA-N 605.529 6.943 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084214090 JTJQYQWJUQJKKY-OEAKJJBVSA-N 700.318 5.602 50 10 KKGE COc1ccc2cc(C=NNC(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)c(Cl)nc2c1 1084360284 FLANXKCBZYCFRD-UHFFFAOYSA-N 591.904 5.934 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084424991 BUWBDWDZOMLGRQ-OVCLIPMQSA-N 571.085 8.187 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccc(Cl)cc3)cc2Br)cc1 1084427200 KHHJYJSLRLHZGS-RUZDIDTESA-N 589.914 6.443 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084509503 WMPSUDTUMQNGHB-UHFFFAOYSA-N 608.492 7.287 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 1084530387 ILSPNQKSNKGXPV-VWLOTQADSA-N 515.437 6.243 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(I)c1)c1cc2cc(Br)ccc2o1 1084577570 BZUVSVOZDVZTBM-UHFFFAOYSA-N 722.986 8.212 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)c2ccc(CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(OC)c(Br)c3)cc2)cc1 1084593433 WSDLIXDBWVVOND-UHFFFAOYSA-N 663.638 6.772 50 10 KKGE C/C(=N/NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)C(C)C)C(=O)NCc1ccc(C)cc1 1615526607 QZJMDLVMTUQKFX-BQKFXUOQSA-N 554.691 5.303 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 1772724449 XHAIFYOZLHKVTN-UHFFFAOYSA-N 545.693 7.058 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772744024 OTWSVLYCBRQZOW-UHFFFAOYSA-N 534.332 6.092 50 10 KKGE Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747079 LDKRPCNKBAREFB-UHFFFAOYSA-N 524.400 5.078 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc4ccccc4n2)CCC3)c(Br)c1 1772751102 ICLUQOFRHRKEJW-UHFFFAOYSA-N 531.410 5.930 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865686247 SKBFBQKRVIYPMU-SANMLTNESA-N 511.025 6.602 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687516 SWMNUXFZIVBKCF-HKBQPEDESA-N 570.649 6.413 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCCc1ccccc1 1865688616 WUEMELLZWQKWDO-RUZDIDTESA-N 564.539 5.938 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865690457 RVOOVHQHJFRPPS-MHZLTWQESA-N 522.605 5.954 50 10 KKGE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695111 KGUXVRBYUMJLJD-SANMLTNESA-N 512.997 5.894 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)ccc1OC(C)C 1865696055 BNTMXXFVLAYDJE-GDLZYMKVSA-N 528.612 6.706 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699324 QOCSCINUZPTBBI-RUZDIDTESA-N 552.432 6.020 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701037 KFJJBLJZISFHMC-LJQANCHMSA-N 578.692 5.986 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865701558 YFDIQSVMICAWBO-AREMUKBSSA-N 561.469 7.073 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1868301072 KCVGSYDHUGRYKM-DEOSSOPVSA-N 512.082 7.634 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n1)[C@H]2CC(C)C 1868365741 VXZOXTDGJMBNFR-NDEPHWFRSA-N 505.691 7.919 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(N4CCCCCC4)CC3)n2)c1 1868505007 BXWIHULSPMGBMO-UHFFFAOYSA-N 514.699 6.314 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1868544198 ACAVXUGTDAYNAU-UHFFFAOYSA-N 565.743 7.814 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745375 KIPUFZGAEFXHPM-SGEDCAFJSA-N 517.610 6.435 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)c(OC)cc1Cl 1872755037 VNDBXMXYLMYJRP-PWHQALQLSA-N 514.987 6.013 50 10 KKGE CCc1ccc(OCCC/C(O)=C(\C#N)c2nc(-c3cc(C)ccc3OC)cs2)c(Br)c1 1873920870 LISKFSYOFXKDKG-QOCHGBHMSA-N 513.457 7.104 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2c(Br)cccc2Br)c1Br 1922921983 WYTZZQZEOIPVAB-JTQLQIEISA-N 538.324 7.435 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2cscc2s1 1923038392 IWDSCMPWGMEICD-MRVPVSSYSA-N 507.519 7.687 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1CCC[C@H]2CCCC[C@H]21 1923060341 BIXBGZVYNUOYQT-DNRKLUKYSA-N 505.541 7.969 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Cl)s1 1924586465 YDTNJEUDFKIWSN-YFKPBYRVSA-N 564.771 7.888 50 10 KKGE Brc1ccoc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924609199 TZUBYPYICDJKNJ-YFKPBYRVSA-N 558.709 6.875 50 10 KKGE CCC[C@H](C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781162 DFSRQLGPTJSQNK-PWCHPLFNSA-N 512.305 7.453 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Cl)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2042013853 JASGYEILAKYCON-IBGZPJMESA-N 531.325 7.845 50 10 KKGE COc1c(C(C)(C)C)cc([C@H](N[S@@](=O)C(C)(C)C)c2cccc3c2Oc2c(P(c4ccccc4)c4ccccc4)cccc2C3(C)C)cc1C(C)(C)C 2080750703 BCSWMDYGGCPTPC-IYZUPZQKSA-N 746.010 10.621 50 10 KKGE Brc1cccc([C@@H](Br)CCc2ccc(Br)cc2Br)c1 2113489510 POYNNOYXANKASI-AWEZNQCLSA-N 511.877 7.043 50 10 KKGE C[C@H]1Cc2cc([C@@H](Br)c3cc(I)sn3)cc(Br)c2O1 2120030783 YCCGBXUITIRXSA-PWCHPLFNSA-N 515.008 5.318 50 10 KKGE C[C@H](C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141470263 FRGJACMEZRFKTM-SFYZADRCSA-N 584.810 8.245 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1c(Br)cccc1Br 2150486373 BAKRGLBVYVBNKK-UHFFFAOYSA-N 548.294 7.054 50 10 KKGE FCCOc1ccccc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2189515870 ARFXFVGTEYXJFP-LLVKDONJSA-N 507.444 6.712 50 10 KKGE C[C@H](CCn1c(CCCl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2234067271 MILHWBXEVFYYSD-OAHLLOKOSA-N 513.705 6.253 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 2235607055 FEJOKSNMFIJBDY-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Br)c1ccc(I)c(Br)c1 2279036794 LFPFLNNKJQOJPL-CYBMUJFWSA-N 595.294 6.963 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1Br 2288487794 ANGQTUOCTGCRBT-NSHDSACASA-N 554.248 7.390 50 10 KKGE O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2293500053 MJAJWGVKMQGSSX-UHFFFAOYSA-N 513.937 5.250 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1 2294193394 LQJXHIPIAOIOLA-UHFFFAOYSA-N 521.367 5.671 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1 2295523580 WJOOHWAGBDIACM-UHFFFAOYSA-N 550.590 5.032 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc(Cl)c2)o1 2296500388 NYKPURAUZQLTMJ-UHFFFAOYSA-N 520.969 7.190 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296507159 WBXKWOYQUXEBFR-SANMLTNESA-N 544.463 7.212 50 10 KKGE C=C1C(=CC=C2CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)C[C@@H]2CCC(=O)C2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 2296515861 VUNSKLXNHPLZTO-ITMXQKBBSA-N 641.142 11.582 50 10 KKGE C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](N=Cc1cc2ccccc2c(-c2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc3ccccc23)c1O)c1ccnc2ccccc12 2296604796 HJVPMMQNVLOVDY-GVUQDIPBSA-N 828.145 11.909 50 10 KKGE COc1ccc(C=C(C#N)C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)cc1 2297489376 KOHDIFMKHXSXMA-QHCPKHFHSA-N 536.338 5.196 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)=Cc1ccco1 2297507014 UBDOCHVMWDHSGB-UHFFFAOYSA-N 522.428 5.587 50 10 KKGE O=C(NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(C(=O)NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 2297708144 IPTSBUWFOWLBLZ-UHFFFAOYSA-N 592.524 5.551 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl 2313521592 YFCBXTCNWUOYKB-UHFFFAOYSA-N 525.830 6.853 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 2313565352 VKRRWJTYWLBICT-UHFFFAOYSA-N 522.432 5.837 50 10 KKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314486004 AGLRHYQTKQCLCP-UHFFFAOYSA-N 546.358 6.911 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314501554 ZAXMKDCCJLIGEQ-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593742 SEJIBMCZGCHVLK-HSZRJFAPSA-N 575.996 6.093 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 2314617212 SZFMMQVQBLUDSP-UHFFFAOYSA-N 589.095 7.307 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314617454 YRRBBDLGJWKMHK-AREMUKBSSA-N 645.785 5.795 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314618729 SMOVIDCQTIKVAL-UHFFFAOYSA-N 590.655 6.276 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314620126 KCADXCZPTRTIND-UHFFFAOYSA-N 552.631 5.120 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 2314640643 GTBLSTXKOQVHTH-XIFFEERXSA-N 544.607 6.420 50 10 KKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2cccc(Cl)c2)cs1 2331294303 MAOKFHCCDQDNEU-UHFFFAOYSA-N 520.463 6.241 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)ccc1F 2331322602 QYPNNIDRZFCBJY-VWLOTQADSA-N 509.562 5.958 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cc(Cl)ccc1I 2360427290 SZORZSRMRSJAGG-LLVKDONJSA-N 573.252 7.637 50 10 KKGE C=CC[C@]1(CBr)CCCCN1Cc1ccc(I)c(Br)c1 2377313731 DNKAHWJTARZCKR-MRXNPFEDSA-N 513.055 5.749 50 10 KKGE N#CC1=C(N)Oc2cc(O)c(/C=N\c3ccc(Br)cc3)cc2[C@H]1c1ccc(Br)cc1 2317061 UGFYPCHXFAYJPI-HRVUXXLOSA-N 525.200 5.886 50 10 KKGE Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1cc(Cl)ccc1Cl 2727572 YOEOMMMBEFLMAW-DEOSSOPVSA-N 513.490 7.353 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1Br 14645616 GVRPALDNOYTHLJ-UHFFFAOYSA-N 504.208 5.021 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 29492386 DAXOSIGLAKNIJK-HJSGWNAJSA-N 622.750 8.493 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)[C@@H](Br)C2=O 33514286 MKMBXXAIGNLKPZ-LBNPDIFZSA-N 509.488 5.079 50 10 KKGE N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 33568595 ZDIKYRAYDWZAAZ-XIEYBQDHSA-N 511.541 6.660 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 38603115 HEFSJRXDMCFZNK-ZXVVBBHZSA-N 508.622 6.111 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1 38655398 IJNGYOQGFIINKX-SANMLTNESA-N 523.416 7.000 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccccc2)C(=O)CCl)cc1OC 97914975 BVGQPHHNNGSPSB-HHHXNRCGSA-N 501.067 5.632 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 100189086 QGNSMXCAXARXNU-GFCCVEGCSA-N 563.301 5.038 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccccc3Cl)cc2Br)cc1 100233390 MLSAIJDTMTWXEO-POBUXNOSSA-N 575.887 6.053 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 100452849 GXUWOVJAMYRTMO-DHCNTSDESA-N 526.247 6.843 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)cc1 100883483 CRZNOVVKFQEIEH-QOMWVZHYSA-N 558.613 7.202 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(C(C)(C)C)cc3)nc12 101115329 OAUYZDLQDIDZJC-CYVLTUHYSA-N 557.448 6.401 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101334738 SWLNNYRYSAMCKG-UXHLAJHPSA-N 542.639 6.367 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101334941 DESHKDIZXMHQDW-NDZAJKAJSA-N 542.639 6.429 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1 101367265 AWZIQHIQDYBHQQ-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)cc1OC 101368034 NWYXXYNZBOERMN-LJAQVGFWSA-N 549.023 6.120 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)c(OC)c2)cc1 101368043 YMXLGAZIMYXODP-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 101368974 TXGHSGROGVEQEP-LFPIHBKWSA-N 539.357 5.188 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(Br)ccc2OC)cc1Cl 101369001 FXDGAWOSENJUIV-QHCPKHFHSA-N 590.257 6.601 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1 101377732 VVFQEDUZVZCFLN-SSEXGKCCSA-N 581.496 7.545 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379021 OZGNHENILSOHPT-PMERELPUSA-N 573.432 6.775 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383738 OPZHNHUOAWDVJI-WJOKGBTCSA-N 552.558 5.616 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387458 RYUHAAZONQTVKS-LJAQVGFWSA-N 591.422 7.157 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3Br)CCC4)c2n1 101599734 DATOPIRWWOEFBR-TWKHWXDSSA-N 532.394 5.897 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 101702379 XLCMBWJPTIGEJR-YZYPULCFSA-N 536.584 5.975 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2Br)c1 102230223 FZKCIJWDETUDRL-IUXPMGMMSA-N 587.224 6.259 50 10 KKGE COc1ccccc1N1CCN(c2ccc(NC(=O)C(C)(C)CCl)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 103191772 RKXZVWYMSYSDGX-JOCHJYFZSA-N 585.170 5.265 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 103797521 NHBCWKUCZCEJJR-KPGMTVGESA-N 532.427 7.490 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 103883205 KXZBFZNIKHNEJB-HAVVHWLPSA-N 549.412 5.126 50 10 KKGE N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 104800002 FFMLFBHRVCRMLW-HMAPJEAMSA-N 523.573 7.942 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(I)c1 150382758 KKBRJKBPONFXPA-OADPBGPJSA-N 627.704 6.250 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430596 XSXBPNMYLZXUBO-JGCGQSQUSA-N 641.507 8.463 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c1 150460261 VLMAJMWZZJYAIX-LEWMOKLLSA-N 648.741 5.253 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1F 150484840 LUOGHXRDQSBCPS-VWLOTQADSA-N 724.783 8.883 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccc(Cl)cc4Cl)cc3[N+](=O)[O-])sc2c1)c1ccccc1 164015776 KDFYDWDLRXCIEX-IBBHUPRXSA-N 622.515 7.679 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)c1ccccc1)NC(=O)CCC 206561241 JFUQJNFKJUGBCC-VZMLTMHZSA-N 587.962 9.776 50 10 KKGE in-vitro COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1C 214311143 ACVRDJHUBZMFLC-YSMPRRRNSA-N 515.573 5.044 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 214386831 WRQYVIKTANOZRX-QDTIIGTASA-N 572.665 5.861 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2Br)c(Br)c1 233790823 SMCVJBMCAJQGED-HNNXBMFYSA-N 574.876 6.699 50 10 KKGE O=C(NN=Cc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 254746681 ICLXAOLGRUPGQC-UHFFFAOYSA-N 660.822 6.331 50 10 KKGE O=C(CSc1nnc(-c2ccccc2)s1)NN=Cc1ccc(OCc2cccc(Br)c2)cc1 256028507 QRPYPGLUUZDHGG-UHFFFAOYSA-N 539.480 5.789 50 10 KKGE Cl[C@H](c1csc(I)c1)c1cc(I)cc2c1OCC2 302492581 JGBSNWKSTKZIPR-GFCCVEGCSA-N 502.542 5.220 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(I)cc2)C1 394513729 GAHQHHPXDCBAJH-AEFFLSMTSA-N 547.174 5.078 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)[nH]c(=Nc4ccccc4)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 504203688 JDTKCDCRSRWMSD-LRVPPHGTSA-N 701.150 8.274 50 10 KKGE Cc1cc(C)c2c(-c3ccccc3P(C3CCCCC3)C3CCCCC3)c(P(c3ccccc3)c3ccccc3)oc2c1 642813996 LIGWFLOPQPBECX-UHFFFAOYSA-N 602.739 10.247 50 10 KKGE C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)n6ccnc6)[C@@H]5CC[C@]24C)[C@H]13 653747434 SEDGSGNFXYBSHE-YUDYNKALSA-N 580.741 6.558 50 10 KKGE N#Cc1ccc(CC(=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1 725408527 JTAZAKARCCIMSM-UHFFFAOYSA-N 506.406 6.244 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Br)cc1 725416192 ZGAJFKQJYJPGQB-UHFFFAOYSA-N 613.965 6.240 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)/C=C7\SC(=O)NC7=O)CC[C@@]6(C)[C@@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@H]3C1 1076011148 LAPUCWPKWZCJAA-SJZWONHSSA-N 703.740 7.687 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4F)c3C)cc2)S(C)(=O)=O)cc1C 1083891170 XPHMJIRYLKFZNY-UHFFFAOYSA-N 546.668 5.580 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2sccc2C)cc1 1083935419 KWDWZGXJTBLVIQ-UHFFFAOYSA-N 538.094 6.178 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084013920 XKSJKKLVCPYXKA-SSEXGKCCSA-N 577.537 6.939 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2I)cc1 1084134829 XTZOLOPXAOLOOA-HSZRJFAPSA-N 607.286 5.905 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 1084360319 VANJAQYTYOXNPJ-UHFFFAOYSA-N 608.492 7.256 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OCC)c(OCc3ccccc3F)cc2Br)cc1 1084387836 JFOVZSQDUNCJRA-RUZDIDTESA-N 573.459 5.929 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CI)C1 1614636078 NTYRBWNPHLRYMC-YOEHRIQHSA-N 500.720 5.035 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653470 GISUCGCJVLMBEE-FILSGCQUSA-N 550.511 6.914 50 10 KKGE Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748491 YRQXJDMTQWGCCP-UHFFFAOYSA-N 515.795 5.430 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N5CCc6ccccc6C5)c(C)c43)coc2c1 1772751626 IEKHEYREOXUGOV-UHFFFAOYSA-N 509.606 5.549 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@@H]1c1cccc(Br)c1 1865683995 KSASZFAWHZXHSP-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865685106 DCNBLOFCDJBKNX-QHCPKHFHSA-N 572.279 7.439 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 1865686645 YJDQKYKUERVLAM-LJQANCHMSA-N 504.215 6.112 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCCc1ccccc1 1865688238 NROBYONWSZTLSK-MUUNZHRXSA-N 545.014 5.881 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1 1865694508 WQKGVDUEVDRZHZ-MUUNZHRXSA-N 510.569 5.575 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865696318 ZCUVTGHOGFQHLW-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OC 1865697224 XVCQOYPQZMTIHH-NRFANRHFSA-N 513.520 5.472 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701062 KRLRVIAUSHEQQN-AREMUKBSSA-N 535.406 6.483 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701602 ZFOPITPVWJCHQZ-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702289 RSVPAGMJUYLADF-QHCPKHFHSA-N 503.375 6.098 50 10 KKGE COc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705346 SWEMMDDVGDYBSV-GDLZYMKVSA-N 570.605 5.994 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866651556 NLDSOPRVOWOZNR-AREMUKBSSA-N 526.618 5.146 50 10 KKGE Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867083679 PNNSFHVHJYENLG-OAQYLSRUSA-N 551.694 5.029 50 10 KKGE CCC[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867222788 YZBYYKRLZDOXQF-DQEYMECFSA-N 535.641 5.862 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NCc3ccccc3)nc(-c3ccc(F)cc3)n2)cc1 1868456436 ONIIVWBWRRMQEI-VWLOTQADSA-N 524.625 5.885 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CCO2)cc1 1868544314 CARKFLLHSVQNBC-LJAQVGFWSA-N 549.744 7.898 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)n2)cc1 1868544615 IHTDWQGHXSSKOM-MUUNZHRXSA-N 578.717 6.843 50 10 KKGE CCOP(=O)(OCC)C(F)(F)C[C@@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1ccc(C)cc1 1887510413 VOYBPRCJLCFJHA-SFHVURJKSA-N 529.659 5.913 50 10 KKGE FC(F)(F)c1cccc(Cl)c1[C@@H](Br)c1sc(Br)cc1Br 1922880327 DBXPLYSQBFKZGJ-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(Br)c(C)c2Br)c1I 1922887184 MSKMPEZBVHMPMQ-SNVBAGLBSA-N 564.906 6.979 50 10 KKGE Fc1ccc(Cl)cc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924594974 RRFILFWMJMTUGL-MRVPVSSYSA-N 542.287 7.312 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c1C 1951014167 FOWRYECHWLUBMF-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Cc1nc(I)c(I)n1CC1(CBr)CCCCCC1 2028582889 DTSLUMTYOQBLHZ-UHFFFAOYSA-N 537.021 5.136 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(I)sn2)c1Br 2081069658 CHWLNGQUAMLQFI-LBPRGKRZSA-N 565.894 6.374 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2085493423 BSAXRZJTHKXPMD-LBPRGKRZSA-N 566.707 7.122 50 10 KKGE Clc1sccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494663 NBUWWZXPVHCXGB-JTQLQIEISA-N 558.742 7.780 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@H]21 2085494864 OACXRLAIHJSMKI-ICRFAPBVSA-N 522.300 7.063 50 10 KKGE Cc1nscc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495932 UBDJKUFLLMQIID-NSHDSACASA-N 539.312 6.830 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2ccc(Br)cc2I)c1C 2086138419 AGXVWXVVKQIMBF-LBPRGKRZSA-N 564.906 6.979 50 10 KKGE Clc1sc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Br 2115941781 DKSVRFSLFNOPPT-LLVKDONJSA-N 534.438 6.188 50 10 KKGE C[C@@H](CC(C)(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141467644 ACJODSQUZYLLEK-WPPNPWJKSA-N 540.359 8.089 50 10 KKGE C[C@H]1Cc2cc([C@H](Cl)c3cc(Br)c(Br)s3)cc(Br)c2O1 2146617050 VSXFLCLLTNCWPM-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE Cc1cc(Br)c([C@@H](Br)Cc2c(Cl)cccc2Cl)cc1Br 2161082997 HANVFFPEKVYKIB-ZDUSSCGKSA-N 501.871 7.506 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cccc(F)c2I)c1Br 2201073692 NVSVLWMWEGUQML-AWEZNQCLSA-N 532.416 6.900 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 2215944470 XLGGETWOGATKJK-LURJTMIESA-N 588.804 7.652 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2247988075 QASUXMLNBMJBAM-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1occc1Br 2259998818 IFDGOXRXGMKYGU-VIFPVBQESA-N 509.764 6.330 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(I)c2)c(Br)c1Cl 2268266902 YAELCZHKMZNEHV-LBPRGKRZSA-N 516.398 6.200 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1c(F)cccc1I 2295371168 WMNIHXDNMFFLNK-CYBMUJFWSA-N 534.388 6.339 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 2296723147 GKSABVKMWJDQQU-UHFFFAOYSA-N 550.434 5.459 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297559181 ZCZVZZJZVKJVHK-UHFFFAOYSA-N 517.133 5.925 50 10 KKGE Cl[C@H](c1ccc(OCc2ccccc2)cc1Br)c1ccccc1I 2299502545 XJTIWCSSKRMPMT-HXUWFJFHSA-N 513.600 6.961 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 2313568802 XHCKYGZOUGTWJY-UHFFFAOYSA-N 617.237 6.216 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1Cl 2314617327 VZHWJBKTVBPBGY-UHFFFAOYSA-N 623.109 6.444 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 2314620353 NZDZWSBXFIMPHD-UHFFFAOYSA-N 533.031 6.602 50 10 KKGE CCCCc1ccc(N(C(=O)C(C#N)=Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 2314777408 CTPUGDRPYZISQO-UHFFFAOYSA-N 509.027 6.020 50 10 KKGE Cc1cc([C@H](Br)c2sc(Cl)cc2I)cc(C)c1Br 2316596943 LRATUPQRZFJKCS-LBPRGKRZSA-N 520.455 6.870 50 10 KKGE CCC(=CC(=O)N[C@@](C)(CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 2321370665 MLQLRVQQGQBOIQ-DEOSSOPVSA-N 516.461 5.748 50 10 KKGE N#CC(=C(O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2cccc3ccccc23)cs1 2331340039 OXGGBBDLEDGGNP-UHFFFAOYSA-N 510.531 5.741 50 10 KKGE COc1ccc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)c1 2331450398 DNZQFLCDFWNSRD-UHFFFAOYSA-N 515.429 6.450 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Br)cc1Cl 2360495080 YNQQHJOKYGFILY-NSHDSACASA-N 526.252 7.795 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)oc2C)c1Br 2365237891 VPRPBSVDLIFRTR-LBPRGKRZSA-N 531.864 6.677 50 10 KKGE N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2283666 LUIOXZVSGKTAQI-RAXLEYEMSA-N 529.213 6.418 50 10 KKGE CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CCl)O1 4214552 VSVSLEMVVAYTQW-VSXGLTOVSA-N 505.841 5.129 50 10 KKGE biogenic,in-man Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Cl)cc2)cc1 33383673 JQPUNENORBBQGP-GPSDDGMOSA-N 518.982 5.622 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2[C@H]1c1ccc(Br)cc1 38651585 MCEXBDUVEQGCCQ-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1c(Cl)cccc1Cl 40888738 URCUEKAUUUFAJL-FJEPWZHXSA-N 509.389 6.263 50 10 KKGE CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1cc(/N=N/c3cccc(Br)c3)ccc1O)CO2 97958574 XAPAURPAVWKZGT-UZKUPUELSA-N 537.414 6.158 50 10 KKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(Br)cc3Br)ccc21 100053728 NXEMCUVCHASMOS-LGJNPRDNSA-N 529.232 5.869 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101241598 DUFAENSPMNGFDU-WTALZMIHSA-N 534.003 6.211 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245961 AUYYIJDNKKKAFS-UZEPBSNMSA-N 535.591 6.641 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246728 GSFQKSUIHIPLGI-NNHPPCHPSA-N 517.582 5.298 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101336185 ZUDQLHFTBPTJCI-XLKFHUSGSA-N 536.632 5.270 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 101337727 RUCKOZLIZDFDLE-XDQFAZSOSA-N 524.580 6.639 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1 101377121 YKLSJLAVHIOAIY-HHHXNRCGSA-N 567.469 7.398 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380616 ZMXIMWXGLOZAJM-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5Cl)ccc43)c2)cc1 101382005 UHACFTUOPUWAIC-HKBQPEDESA-N 587.459 7.083 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OCC(C)C)cc5)ccc43)c2)cc1 101382263 BOABXNKCEIHHIY-XIFFEERXSA-N 560.650 7.046 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(C)cc2)c1 101382484 GOCAMKWFSCMQSX-MGBGTMOVSA-N 560.650 7.190 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c1 101389624 BGSNTBRRQZMRRE-UUWRZZSWSA-N 608.666 7.420 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)c(C)c2cc1Cl 101391509 DWVDLIMIBQCZQY-XMMPIXPASA-N 549.808 6.903 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccc(Cl)cc12 101397568 OLYNRXXNEQWSKV-SSEXGKCCSA-N 597.454 8.064 50 10 KKGE COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OCc1c(Cl)ccc(Cl)c1Cl 102006960 NZUUQABNJGWCJK-IPBVOBEMSA-N 549.867 6.353 50 10 KKGE CS(=O)(=O)c1ccc2nc(NC(=O)/C(C#N)=C\c3cccn3-c3ccc(Cl)c(Cl)c3)sc2c1 102471067 XGDMCAJDELPJFP-LCYFTJDESA-N 517.419 5.343 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(CCc2ccc(Cl)cc2)C(=O)CCl)cc1OC 102779024 QHXCPRJHUFZWIK-MQBAUGIOSA-N 549.539 6.184 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc2c(c1)OCO2 103877905 SDLUDUNQWWZGBD-XODNFHPESA-N 537.366 5.666 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 150388446 FAYOIRJUQCVCOW-UHFFFAOYSA-N 628.170 5.087 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)C1=O 214242483 XKYSGPPJMSPNPS-RRAHZORUSA-N 538.717 7.214 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 214386513 YPVZUOUTPGTOMQ-MXAYSNPKSA-N 546.558 5.508 50 10 KKGE CCOc1ccc(C)cc1[C@H](C)N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216491749 DCNUDVMXLMGYMG-IDJUBOEBSA-N 508.666 5.386 50 10 KKGE Brc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2I)c1 232482105 FFXCKVJHFGJSTB-ZDUSSCGKSA-N 609.719 7.063 50 10 KKGE Clc1cc2c(cc1[C@H](Br)c1cc(Br)sc1Br)OCCO2 236040704 UQMOVZGDJQMEFS-LBPRGKRZSA-N 503.437 6.182 50 10 KKGE O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NN=Cc1c(F)cccc1Cl 252626280 QZSCOQWXVBPKGT-UHFFFAOYSA-N 548.345 5.497 50 10 KKGE COc1ccc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254484838 NFRUFOZVTRPHNE-UHFFFAOYSA-N 502.574 5.891 50 10 KKGE O=C(NN=C(CCCCl)c1ccc(Br)cc1)[C@H](Sc1ccccc1)c1ccccc1 254617740 SVZLEOGTSMZJPV-HSZRJFAPSA-N 501.877 6.822 50 10 KKGE CCCCc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1 254703543 WUBYUOMSFXMIJK-UHFFFAOYSA-N 510.638 6.200 50 10 KKGE CCOC(=O)C1=c2sc(=Cc3ccccc3Oc3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1 254869099 JKKFLXFHNIPIJV-WJOKGBTCSA-N 613.695 5.485 50 10 KKGE S=c1sc(SCCI)c(SCCI)s1 308167267 LJTNDELNLZWRRJ-UHFFFAOYSA-N 506.284 5.593 50 10 KKGE Br[C@H]1CC[C@H](Br)[C@H](Br)CCC[C@H](Br)[C@H](Br)C[C@@H]1Br 585669573 JTNIFONMLVMYNH-QAWJZHMJSA-N 641.700 6.922 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(I)cc3)c(OC)c2)cc1 725445627 QDZYAMXKGJJURG-XMMPIXPASA-N 667.338 6.004 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1Cl 1084062778 FBBCVLQWEQLOFZ-UHFFFAOYSA-N 543.476 5.470 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)sc(C)c1C 1084156800 FWTUFGMHEMZPGW-UHFFFAOYSA-N 578.738 7.479 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccccc3)c2C)c1 1084258128 DEEPNKAWSPPFCD-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE COc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 1084373172 BFXFMVJDWFIGSR-AREMUKBSSA-N 502.998 6.045 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084441332 AXWOWDWKHILZBE-UHFFFAOYSA-N 602.034 6.283 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 1084566575 PFMVRWFPEWBZNM-UHFFFAOYSA-N 634.383 6.509 50 10 KKGE CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 1614653181 QESRWSUPMHBDLQ-MHRJKILUSA-N 523.702 6.676 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cc(Cl)cc(Cl)c5)c(C)c43)coc2c1 1772751688 JQIDKAHIVDPTBX-UHFFFAOYSA-N 538.431 6.909 50 10 KKGE CCCCCOc1ccc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755284 ZCDSEAJEAUFREV-UHFFFAOYSA-N 504.077 6.284 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]1O 1848434937 ZGCNMHQDCCSXMS-SUWQGKGPSA-N 663.406 6.422 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1 1865681122 FRTIUNAIZOPRDJ-HSZRJFAPSA-N 519.388 5.838 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686971 GOIWBPDALIZJFM-NDEPHWFRSA-N 559.041 6.482 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1cc(Br)ccc1O 1865696649 PEAOCMULAOTZKU-OAHLLOKOSA-N 511.685 5.231 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1 1865701919 IFBFYQHQXDFOLD-MHZLTWQESA-N 540.067 6.325 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702490 AZAKMDULJWJDOU-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 1865705033 KJOUYRTWAMTYBG-VWLOTQADSA-N 512.953 5.280 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705871 HWWDAGYYDNRBIB-MHZLTWQESA-N 575.496 6.915 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710660 DPINMKMMWOLWII-JOCHJYFZSA-N 522.914 6.438 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1 1865714397 JHCBPLPHYWSWTR-QHCPKHFHSA-N 531.385 5.727 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3cccc(F)c3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866654934 MDEAEUIHJOTRPY-MHZLTWQESA-N 572.618 5.196 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)cc1 1872745753 BHVNLKMDIVFNFN-GFMRDNFCSA-N 513.962 6.223 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2(c3ccccc3)CC2)c1Br 1924596441 OPBGWGIFIIDGNN-NSHDSACASA-N 529.917 7.203 50 10 KKGE COC(=O)CCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@H](C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C 1933247608 MGKXMFDMJJIMHV-NGDRWEMDSA-N 651.239 9.743 50 10 KKGE CCC(CC)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025783561 VDMCERAPIUEXES-LBPRGKRZSA-N 512.305 7.453 50 10 KKGE CO[C@H]1C[C@@H](C)CC(C)=CC[C@@H](O)C[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C)C(C)=C[C@@H]2CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)C2)OC(=O)[C@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C 2058790025 GZSLPFGJFXLWTP-LKSXGIQXSA-N 952.429 8.517 50 10 KKGE C[C@@H](C1CCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492618 OQSUGFJTYFMGSD-IYQDAUBNSA-N 524.316 7.453 50 10 KKGE C[C@@H]1CCO[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494857 GANKZFZVGPHFTJ-IDTHNEBUSA-N 526.288 6.442 50 10 KKGE C[C@@H](Cl)CCCc1cn(-c2cc(Br)c(I)c(Br)c2)nn1 2189276840 IGQAEFWFFZNGFK-MRVPVSSYSA-N 533.433 5.347 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Cl)cc(Br)c2)cc1Br 2202349697 AKCAJASQEIFIGG-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(I)c(C)c1 2207097443 PRHAGGJVQIFOPE-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc3c(c2)CCCO3)c(I)c1 2207271719 KETKSGAXINVOHB-INIZCTEOSA-N 507.991 5.863 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(Br)sc2Br)c1C 2213621970 ZZEVOACSNGPNLZ-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)s1 2215942100 DSCSOWZZOYGWCJ-ZETCQYMHSA-N 544.353 7.496 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1csc(Br)c1Br 2221703239 HSCPEZRPWNSRNR-VIFPVBQESA-N 538.324 7.368 50 10 KKGE Cc1nn(C)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1Br 2232515732 BYEXWHNSVLZVFO-SECBINFHSA-N 526.281 6.698 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2I)c(C)c1Cl 2232529075 VYEAKXNCCFYTSE-CQSZACIVSA-N 548.871 7.462 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 2288494979 NQDXBQLGXHKNJS-NSHDSACASA-N 598.699 7.499 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc2cscc2s1 2288496764 LDBZDHJFOJXAFO-NSHDSACASA-N 503.025 7.250 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1Br 2288499343 SHQFHFGNSTWRJC-LLVKDONJSA-N 598.699 7.499 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)=Cc1ccco1 2293707246 LWNDMPBNARSOMB-UHFFFAOYSA-N 522.428 5.587 50 10 KKGE N#CC(=Cc1ccccc1C(F)(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296042419 VIOXQPUPWUYJFW-UHFFFAOYSA-N 503.299 6.762 50 10 KKGE CCOc1ccccc1NC(SCc1ccc(Cl)cc1)=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2297414571 MILHBKSQTLCJFU-UHFFFAOYSA-N 552.096 6.195 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2Br)cc1 2313568531 WLXKQLRNKSXHAT-UHFFFAOYSA-N 595.335 6.355 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)OC 2313570985 KVKIARLNOLFSFM-UHFFFAOYSA-N 524.198 5.582 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 2313675700 LNSJGOXIYVJOMF-UHFFFAOYSA-N 560.673 7.298 50 10 KKGE Clc1ccc(Br)c([C@@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2314504014 YHHZRXUSWLMEEI-HXUWFJFHSA-N 501.045 7.772 50 10 KKGE CCCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OC 2314753614 CLQQHNBTPCNCMJ-UHFFFAOYSA-N 528.605 6.089 50 10 KKGE COC(=O)C(C#N)=Cc1cccc(OC(=O)C=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 2314753765 DUHSEMYMGURRDH-UHFFFAOYSA-N 503.938 5.626 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(O)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487626 DSNZMYYWSJLENT-UHFFFAOYSA-N 526.643 5.371 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)c1 2331246580 BXIDHIKYULIMAD-UHFFFAOYSA-N 501.007 7.557 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)n2)cc1Cl 2331484504 CTKNBZIAGLQDRM-UHFFFAOYSA-N 503.023 7.432 50 10 KKGE Brc1cccc(Br)c1COC1(CI)CCCCCC1 2340566172 OSUJRZXFYOHKRY-UHFFFAOYSA-N 502.028 6.256 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1C 2362233206 XUFXTTRECNUHAO-NSHDSACASA-N 525.890 7.773 50 10 KKGE Fc1ccc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362248383 BTRRNZDCKSOWAR-GFCCVEGCSA-N 509.797 7.234 50 10 KKGE FC(F)(F)[C@]1(CBr)CCN(Cc2ccc(I)c(Br)c2)C1 2377311488 VZSUZMXGCSWISZ-LBPRGKRZSA-N 526.960 5.203 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(Br)cc1F 867481 DIVKQPZIDUOWOV-XFFZJAGNSA-N 535.123 6.065 50 10 KKGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)o2)cc1C 8451736 WEQXKISQICEYOK-UHFFFAOYSA-N 595.121 6.045 50 10 KKGE COc1ccc(C2=NN(c3ccc(/C=N/NC(=O)c4ccncc4)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 15773752 RLZIYVJOBXGXJW-XIOXGIFKSA-N 505.578 5.218 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38650763 HCBMXRXKXPHZFY-RUZDIDTESA-N 519.395 6.065 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 38650940 LSXXJBCNRJHCFZ-PMERELPUSA-N 518.569 6.102 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)cc1OC 38681171 LSBGJNJGHRXICL-SLQAJWMNSA-N 526.589 5.413 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4)ccc32)cc1OC 38681969 KVJYCZOASSSBJS-SSEXGKCCSA-N 528.605 5.857 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(OCC(C)C)cc3)ccc21 38682942 IOZORHXSOWAORW-LJAQVGFWSA-N 512.606 6.338 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 38686330 GCFAXRKUGXWPKN-SANMLTNESA-N 514.990 6.418 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38700618 SATJAPLBYZZVHR-HHHXNRCGSA-N 508.530 5.752 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825730 HSASBTWXZGUDEM-AJBULDERSA-N 507.377 6.166 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 40927262 IQYJRRIHQURUKH-IUEJRMLYSA-N 509.562 5.538 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1 59224585 BBUKVEBGABOFBH-WQRHYEAKSA-N 516.222 7.189 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914590 ASYPZNDOOOHHSS-SANMLTNESA-N 505.030 5.381 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl 100190680 OAHLMMULOBMXHV-UHFFFAOYSA-N 533.275 5.130 50 10 KKGE COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)ccc1N1CCCCC1 100924413 FYEBBFSQZYTOHE-OFQAEJFBSA-N 618.594 5.584 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 101334729 CNQLVAWOELQEAN-MFKUBSTISA-N 543.067 6.620 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C2=O)cc1 101339881 WKGVZJHATZJRLV-JVWAILMASA-N 518.548 5.479 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)c1 101376825 SXSUBEZMJWOHCZ-AREMUKBSSA-N 553.442 7.008 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 101385563 IELRZFBIQVNTHZ-SSEXGKCCSA-N 569.013 6.374 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387468 CXQSBMQBKWOWEU-WJOKGBTCSA-N 621.448 6.923 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(F)cc1 101389695 GPBKZMPZXVGEKR-YTTGMZPUSA-N 580.612 6.639 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)oc2ccc(Br)cc12 101391984 ATUVBKVFFJPGIM-QHCPKHFHSA-N 570.226 7.248 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1)c1nc2ccccc2s1 103465228 JYLJQNKOGBSBRX-NMWGTECJSA-N 543.670 6.144 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccccc1)c1nn(Cc2ccc(Br)cc2)cc1Br 103532780 ACDVTQJXEOBSBP-CCVNUDIWSA-N 568.269 5.799 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 103797504 DPNPXMHMYAMWJK-BKATUZMVSA-N 596.706 8.342 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1)c1ccccc1 103806170 DSIITSVSHSTYSG-OKCVXOCRSA-N 571.615 6.511 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 103877209 KKUKMZFXBNJOME-OKCVXOCRSA-N 578.419 6.574 50 10 KKGE Fc1c(F)c(F)c([C@H](Br)c2cc(Br)sc2Br)c(F)c1F 109869766 KRAPCERUBFAWMH-RXMQYKEDSA-N 500.906 6.453 50 10 KKGE CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)CSc4nc5ccc([N+](=O)[O-])cc5s4)cc3[N+](=O)[O-])sc2c1 164160399 HTMJWDBSCKLEDF-RPPGKUMJSA-N 626.723 6.515 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)c1 164614435 IXSPNLGFLXHRDV-ZSNJKBEMSA-N 657.406 8.629 50 10 KKGE CCCCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](CC)C3)ccc1OC 209406782 KIPJIFZQZVLWCY-WRDGEJPTSA-N 510.656 6.173 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214277932 DBIYNDDPDFSVDF-LQULIRLISA-N 526.596 5.655 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1cccc(C)c1I 234915809 NHVMEULJJIUWMS-CQSZACIVSA-N 513.970 5.994 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)n1-c1ccccc1 254569047 IIGUIDDADTVILY-UHFFFAOYSA-N 583.117 6.876 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)n2-c2ccccc2)cc1 254615989 SIJSBRXGXYUAFZ-UHFFFAOYSA-N 549.656 5.764 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)n2-c2ccc(C)cc2)cc1 254698093 MIYWSTQCDWPRCO-QPGKMSNZSA-N 502.043 6.025 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 254741472 VGWHPWONBQGYSJ-UHFFFAOYSA-N 509.591 5.044 50 10 KKGE Cc1cc(I)ccc1NCc1nnc(SCC(=O)NN=Cc2c3ccccc3cc3ccccc23)n1-c1ccccc1 254748927 GRCNHQGYPAWPEV-UHFFFAOYSA-N 682.591 7.341 50 10 KKGE COc1cc(Br)cc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccccc3C)n2-c2ccccc2)c1O 254822608 DWCXZFUDJKSISZ-GOSISDBHSA-N 595.523 5.295 50 10 KKGE Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 254849952 ZMJSFIPSRDVOKC-UHFFFAOYSA-N 574.612 6.207 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@@H](O)[C@@]1(C)O 256001226 SGGANCFJEHZNCI-CKAUWYFESA-N 979.452 7.344 50 10 KKGE COc1ccc2cc(C(=O)NCc3ccccc3)c(=NNC(=O)c3ccccc3Nc3ccccc3)oc2c1 263622452 ZRILTENXQMLUHJ-UHFFFAOYSA-N 518.573 5.361 50 10 KKGE Fc1cc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1F 398458608 KHLRUYLKHWQIHE-NSHDSACASA-N 540.342 6.562 50 10 KKGE CCn1cc([C@H](Br)c2cc(Br)c(Br)s2)nc1Br 698497728 OCBQIXSMYGCNPQ-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE O=C(OCc1cncs1)N1CCN(C(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)CC1 725240049 KKOGJMXYPUXUJD-OAQYLSRUSA-N 587.045 5.018 50 10 KKGE O=C(NN=Cc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 725446738 FZWJFWNHMFHZHW-UHFFFAOYSA-N 550.662 6.251 50 10 KKGE O=C=Nc1ccc(-c2ccc(-n3c(=O)n(-c4ccc(-c5ccc(N=C=O)cc5)cc4)c(=O)n(-c4ccc(-c5ccc(N=C=O)cc5)cc4)c3=O)cc2)cc1 1082181922 JKZMJHHQJONFAK-UHFFFAOYSA-N 708.690 7.042 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C 1083944784 CVXZOSMBGCVRSN-UHFFFAOYSA-N 518.205 6.015 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1084347737 DCGRPDKJIQONRI-RUZDIDTESA-N 600.466 5.698 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1084387984 OSXQHIMORYGVRE-UHFFFAOYSA-N 625.750 7.578 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1084434040 CSNPAGXJKFIFQX-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1cccc2ccccc12 1084458192 YEWWREZNGKYPND-UHFFFAOYSA-N 705.596 8.952 50 10 KKGE O=C(COc1ccc(Br)cc1Br)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 1772752297 QUSONMPHYKQFQR-UHFFFAOYSA-N 577.660 5.311 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1c(Cl)cccc1Cl 1772753866 LODCNZPRQGWJBU-UHFFFAOYSA-N 528.219 6.417 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1772755274 YNXFTMZOEZXYEJ-UHFFFAOYSA-N 592.957 7.600 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685941 PISANMXSHDGGPU-JOCHJYFZSA-N 504.924 5.757 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 1865686435 VYCYBLMPPBNNLM-QFIPXVFZSA-N 542.253 7.430 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(F)c1 1865688090 IXWHQMHFYLLUQR-HHHXNRCGSA-N 502.549 6.117 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OCC 1865688808 BHNWQPCJDBNEMU-RUZDIDTESA-N 512.997 6.208 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865688868 CVOHHYFEDLMZAK-HHHXNRCGSA-N 547.442 6.602 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1 1865689671 CGBPKUCXLUHEII-NDEPHWFRSA-N 504.634 6.694 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865689889 FWCQOCGBPAQFOB-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865691992 GZBAUACBTCOQAN-HSZRJFAPSA-N 552.473 5.778 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865697297 ZFRMPFBZQGJEQH-FQEVSTJZSA-N 547.812 5.371 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701608 ZJCSHSZVWLLDHK-AREMUKBSSA-N 575.894 7.038 50 10 KKGE Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702040 LGQVSXNTKCFQCE-GOSISDBHSA-N 504.157 5.063 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704248 RDFCKMCTBCOTIX-JOCHJYFZSA-N 543.377 5.227 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 1865712194 RUJMIMACUZVDPL-HKBQPEDESA-N 538.651 7.012 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867215591 ZPFKTYHEHHLOCA-RSXGOPAZSA-N 580.548 6.527 50 10 KKGE CC(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@@H]2CCc2ccccc2)n1 1868231765 REPHOCYUFOINQH-NDEPHWFRSA-N 505.691 7.653 50 10 KKGE Cc1nncn1C1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)CC1 1868434074 WXLHUCGHKHFNID-UHFFFAOYSA-N 503.035 5.855 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)cc1OC 1868456088 JKLBNWJXALEOHU-ILBGXUMGSA-N 557.651 6.319 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)n2)cc1Cl 1872756740 YMFAVYMNWFXWMK-ZHZULCJRSA-N 502.892 5.555 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1876919123 OTYXJBJBNUBNSO-SECBINFHSA-N 598.774 7.291 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1I 1915297468 HNECLMDKXAWZHD-GOSISDBHSA-N 520.636 6.007 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 1923065615 FQPSWTDFJJIYHK-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924570115 FGSWIVQYTLWVQM-ZCFIWIBFSA-N 586.767 6.499 50 10 KKGE COc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924596771 TUTPCKHWAISVHV-VIFPVBQESA-N 533.905 6.723 50 10 KKGE Clc1sc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2004902238 JTABAYUUZJMBJD-RXMQYKEDSA-N 609.222 7.997 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c1C 2039504582 MPYFONZIIOPXJN-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1cc(Br)ccc1Br 2050462161 BVMBMTPROGUXIW-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE CC(C)C1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085492523 MVDPPESDLYFVNX-LBPRGKRZSA-N 524.316 7.453 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@@H]2C[C@H]2C1 2085495420 KPJVNSDHTQMZJI-BIOYQXMXSA-N 522.300 7.063 50 10 KKGE CCS(=O)(=O)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495468 QKTXRZMONWKEKH-ZETCQYMHSA-N 548.316 5.451 50 10 KKGE Brc1cc([C@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2090461062 NXISWXDMQSRUGC-LLVKDONJSA-N 531.889 6.455 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 2116580073 NERBBFRSOCZWFK-ZETCQYMHSA-N 505.419 7.485 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2cc(Br)c(Cl)s2)c1Br 2136368824 HBRROAUJUIQJQO-GFCCVEGCSA-N 507.900 7.634 50 10 KKGE Cn1cc(Cl)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2141469712 WLPVARCGGDYFMU-JTQLQIEISA-N 556.705 6.452 50 10 KKGE C[C@H]1CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141472038 ZECQMPVBIOAIKG-DNSOKLHBSA-N 582.794 7.999 50 10 KKGE COc1cc([C@@H](Br)c2csc(Br)c2Br)c(OC)cc1Br 2150344457 LPMXKMMGEIWMFY-LLVKDONJSA-N 549.904 6.537 50 10 KKGE C[C@@H]1CC([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C[C@@H](C)O1 2206396564 YLMKNTYUOLKTOK-CZQYDQBASA-N 554.342 7.220 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)nn1C 2206401829 ZUFRJZCLPNVGIQ-LLVKDONJSA-N 659.634 7.025 50 10 KKGE Fc1cc(Br)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206408477 JRIDXNHUHVASQO-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE Cc1nc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(Br)s1 2224304999 OYUWYWMLOMAZDK-ZETCQYMHSA-N 529.306 7.421 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Cl 2232528895 VGTDEIQVNADTOU-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE C[C@H](Cl)c1nc2c(F)cc(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2232921506 SSWDCXKPICNBAA-IBGZPJMESA-N 542.880 6.709 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2csnc2Br)c1 2252829854 ARADYEXVHDIWLL-SNVBAGLBSA-N 504.867 6.109 50 10 KKGE COc1ccc([C@H](Cl)c2cc(I)ccc2F)cc1I 2269534836 RSECIJVPZGZKKT-AWEZNQCLSA-N 502.492 5.372 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cccc(I)c1 2295360769 UOLSLDPQPLZMTJ-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE CCN(CC)c1ccc(C=C(C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(OCc2ccc(Cl)cc2Cl)c1 2297453619 XCKMMESSXWCCMF-UHFFFAOYSA-N 557.485 7.122 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1 2297709282 BTYWQJHJOWQMNR-UHFFFAOYSA-N 526.437 5.520 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 2313567729 NMRRTKUTNAGSGO-UHFFFAOYSA-N 551.643 5.347 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2C#N)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571022 LNJHJPSWTCXUGI-UHFFFAOYSA-N 653.101 7.357 50 10 KKGE CC(C=Cc1ccccc1)=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1 2313588992 KXUUGFRQJQSDQW-UHFFFAOYSA-N 509.679 6.130 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@@H](CC)C2 2314572227 WIIKPIMOLIXLPR-MRXNPFEDSA-N 553.478 7.008 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)C(C)=C(C#N)C2=O)cc1 2314616757 JAHLOCQNKIIFML-UHFFFAOYSA-N 579.454 6.103 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314616898 MKUCYPYQKLWZQN-UHFFFAOYSA-N 542.683 6.441 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c1 2314617211 SZDRKVMGURURGG-UHFFFAOYSA-N 520.633 6.253 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 2314621156 ZXBPQJRZVWMRET-UHFFFAOYSA-N 586.692 6.562 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 2314634383 LFRRHRCVYCSHSS-MGBGTMOVSA-N 566.698 7.255 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 2331255884 HNGQCQUZDCKANF-UHFFFAOYSA-N 520.698 8.973 50 10 KKGE CC[C@@H](C)[C@@H](C(O)=C(C#N)c1nc(-c2cc(OC)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331325266 DKZUCZGSENNVRW-CMJOXMDJSA-N 503.580 5.331 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OC)cc3OC)n2)cc1 2331345459 MRCJUIOIRKANPB-UHFFFAOYSA-N 504.652 7.683 50 10 KKGE CCOC(=O)c1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4cc(C)c(OC)cc4C)cs3)CC2=O)cc1 2331402843 XPLHTTVKCGRIFP-IBGZPJMESA-N 517.607 5.458 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)cc1C 2331404005 YEUDDONVHFKNRW-QFIPXVFZSA-N 519.648 5.646 50 10 KKGE CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2333224416 APKSFMCFWBVVSU-UHFFFAOYSA-N 535.776 10.126 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Br 2362228234 BQEKMXNCYCDOAC-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Cc1cccc(C(C)C)c1NC(=O)CS/C(Nc1ccc(F)cc1F)=C(/C#N)c1nc2ccccc2s1 3271013 NMMMWEASUFRUMV-OOAXWGSJSA-N 534.657 7.683 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)cc1OCC 6167413 WJPDBHMJIBTKOP-KGYDHQQDSA-N 623.772 6.679 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 29492264 SKOWQRIEFJSZQO-JBASAIQMSA-N 620.734 8.657 50 10 KKGE O=C(N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 33044150 NIAXPZFKROECGX-QMVRQVHRSA-N 500.562 5.046 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Cl 38604380 QRMFRHFRDKEOEU-BUVRLJJBSA-N 529.040 6.372 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1 38650828 AQFFDTSLSHDQTM-MYUZEXMDSA-N 502.542 5.596 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 38676727 NIGWFRZZPVWLET-SSEXGKCCSA-N 504.542 5.854 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)cc3Cl)c(C)c2cc1C 38688283 PXEKBOLATRESPU-RUZDIDTESA-N 519.384 7.102 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)c1 38701145 SIDRWVZMQCXKKQ-MUUNZHRXSA-N 522.557 5.799 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)c1 38701149 ZTIXEVYHFKTFPD-VSGBNLITSA-N 512.562 5.219 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 58893644 MJBFEWAEWWSLQZ-BVRUBFALSA-N 514.582 5.269 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1Cl 59304280 VXLUJIUJRQBVCW-UVHMKAGCSA-N 513.775 6.200 50 10 KKGE CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100193843 ABSDEFUZSCNRKA-UHFFFAOYSA-N 601.361 5.012 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212064 QJOVDGFHPPUMBX-HNNXBMFYSA-N 552.252 5.606 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1C#N 100238373 YNJCABNICMAQGR-SUALDHPQSA-N 541.648 5.627 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)c(C)c1 101339435 XOGFPVCTJVSQRW-ZCTHSVRISA-N 556.666 6.737 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Br)c1 101363604 LFCMVPXLNMVMGT-XMMPIXPASA-N 525.786 5.614 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccccc3F)ccc21 101368965 YWBHEXXJEAJQMV-JBEBIEQOSA-N 539.357 5.188 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101373732 UHNCLCUFRGFMSA-LJAQVGFWSA-N 549.023 6.039 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCCC(C)C)c(OCC)c1 101375179 CTJKZOAJKDQJIY-HKBQPEDESA-N 556.659 6.736 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379056 JVMVRQKSIXXZEY-PMERELPUSA-N 607.877 7.428 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380182 KESCBNRZKALNLJ-NDEPHWFRSA-N 571.402 6.605 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383966 DDNHCZHWNQBENA-DHUJRADRSA-N 582.631 7.360 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384495 SHLGFNITOUEJIH-PMERELPUSA-N 536.559 6.241 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)cc1Cl 101394224 UQTAVQURQYHHNF-MUUNZHRXSA-N 597.495 7.407 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4Cl)c3)oc2c1 101398373 ZZTFHHSOTJUUJQ-WJOKGBTCSA-N 577.036 7.719 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(I)cc5)c(C)c43)coc2c1C 101619791 UORKKYWYNDVINO-DFKUXCBWSA-N 595.437 6.207 50 10 KKGE O=C(COc1ccc(Br)cc1Br)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 101631506 QUSONMPHYKQFQR-SLMZUGIISA-N 577.660 5.311 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1C 101697997 GQQMFVBSXOWVIG-HDCCXQATSA-N 578.621 6.026 50 10 KKGE Cc1ccccc1OCCOCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1ccccc1 102466583 LXCNDAUZMPITTG-ULJHMMPZSA-N 535.438 5.455 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(=O)OCC)c1C 102924621 KCDTXJZXBZQNCY-RCCKNPSSSA-N 535.691 6.875 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc(Br)c1OCc1ccccc1Cl 103563373 MRZCXYNNNJIVPJ-ALQBTCKLSA-N 620.931 7.025 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 105443248 MOAWQPHXLUFREB-KBVAKVRCSA-N 549.852 7.024 50 10 KKGE Cc1ccc2c(c1)N[C@@H](SCC(=O)Nc1ccc(SSc3ccc(NC(=O)CS[C@@H]4Nc5ccc(C)cc5N4)cc3)cc1)N2 164821967 WSUPLBCJJXRWJV-MEKGRNQZSA-N 660.916 8.089 50 10 KKGE COc1cc2c(nc1OC)c(-c1cc3cc(F)cnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCI 204871191 LMUGFVDTXWYKPB-UHFFFAOYSA-N 620.444 5.190 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)cc1 206690431 LJMNRSCUJXGYQD-IOEMZTOOSA-N 548.595 6.099 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1F 214311086 VWLRQUYJWZZZBL-QFEZKATASA-N 533.563 5.265 50 10 KKGE Fc1cc([C@@H](Br)c2cc(I)ccc2Br)c(F)cc1Br 236221696 ABFKCYCQCWNQMV-ZDUSSCGKSA-N 566.803 6.579 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(C(=O)NN=Cc2cccc(OCc3ccccc3)c2)o1 252630685 VDEFSDZZDPYACI-UHFFFAOYSA-N 572.621 5.965 50 10 KKGE CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NN=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 252640931 YYFAVFIXUFRSAA-FOIQADDNSA-N 520.671 7.267 50 10 KKGE CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]5[C@H](C[C@@H]4[C@@H]3[C@H](Br)C(=O)[C@@]2(O)C1)O[C@]1(CC[C@H](C)CO1)[C@H]5C 253530606 NZMXPNPAWOZZDY-MATXMTAWSA-N 567.561 5.032 50 10 KKGE biogenic Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CCCNc1ccc(Br)cc1 253577457 XCFJOZPXAYEVCT-VUTHCHCSSA-N 523.479 5.276 50 10 KKGE COC(=O)[C@@H]1O[C@H](Oc2ccc3c(C(=O)c4ccc(OCCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253588176 NOATULMQVVEPQO-INKGWLFMSA-N 904.120 8.120 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C\c2ccc3c(c2)OCO3)cc1 254315936 GYRUEXVVEXSNKD-QHTDZTERSA-N 524.621 5.238 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)COc2c(C)cccc2C)cc(OC)c1OC 254372625 TWTDBWZQQCZPOH-UHFFFAOYSA-N 650.320 5.603 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)nc2ccccc2c1=O 254433015 XYEFHNOVDKPGAC-UHFFFAOYSA-N 534.641 5.516 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2 256018180 DAWKKWVIIJJFRB-XKAZDTCBSA-N 509.541 6.865 50 10 KKGE Clc1cc([C@@H](Br)c2cc(I)cc3c2OCC3)ccc1I 312411881 XDYXCCXYTZCOCL-CQSZACIVSA-N 575.409 5.968 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3ccccc3I)c(Br)cc2N1 380194599 DABRKKVSRKSYHD-HNNXBMFYSA-N 506.963 5.033 50 10 KKGE CC(C)(C)C(=O)O[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591406 YXADDVIQROVGOJ-VJFDXUIRSA-N 630.892 6.196 50 10 KKGE Fc1cc2nc(CCl)n(CC3(N(Cc4ccccc4)Cc4ccccc4)COC3)c2cc1Br 705610665 OOOJBLYGIIEJLD-UHFFFAOYSA-N 528.853 6.148 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Br)cc1 1083887249 NLZCRYUJKPMPKR-UHFFFAOYSA-N 673.405 8.329 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 1083974706 KPCKLYWRLLPJRN-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE O=C(COc1ccccc1Cl)NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 1084024381 QHDVHINVHUXRGM-UHFFFAOYSA-N 500.201 6.029 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)c1 1084045086 QAOWWWCPYZDFAW-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)Cc2ccccc2)cc1 1084070743 ROBFQXKARYRWDT-UHFFFAOYSA-N 583.541 6.051 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1084091303 MKWUPPREOHIJHY-UHFFFAOYSA-N 567.071 5.153 50 10 KKGE CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)Cc2ccccc2)cc1 1084099573 RBYFTSTVKVVRIM-UHFFFAOYSA-N 626.566 5.701 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1F 1084331573 FSONSHUCDKKKJO-UHFFFAOYSA-N 558.347 5.918 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(C)c(Cl)c3)S(=O)(=O)c3ccccc3)o2)cc1 1084433013 OLIAHYYZDWAOGT-UHFFFAOYSA-N 580.062 5.431 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC(=O)O 1084436997 VPZQTPNCFDUHTP-UHFFFAOYSA-N 623.447 5.683 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccccc1 1084447716 JJPBDJIQUAEVFA-UHFFFAOYSA-N 641.509 7.409 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 1084496962 BLVKNPZKXSVVBL-NTEUORMPSA-N 506.172 7.065 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 1084533117 URNNPFIOUFYVKI-UHFFFAOYSA-N 539.679 7.833 50 10 KKGE CCCCCCOc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OCCCCCC)cc3)cc2)cc1 1084572855 KKDXXFASSIBSOY-UHFFFAOYSA-N 570.734 7.133 50 10 KKGE O=C(NN=C1c2ccc(Cl)cc2C[C@@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)cc1 1088698688 PYWLNLFVGDKNKN-FQEVSTJZSA-N 505.764 5.666 50 10 KKGE O=C(CSc1nc(-c2ccccc2)cs1)NN=Cc1cc(Br)ccc1OCc1ccccc1Cl 1772755167 RLHWUTQLERSCTP-UHFFFAOYSA-N 572.937 7.047 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3ccc(C(C)(C)C)cc3Br)cc2)cc1 1772755373 DJEGNYVFRIIWHN-UHFFFAOYSA-N 509.444 6.163 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O3)cc1 1865692873 PUKZXHFCIPKNEL-HHHXNRCGSA-N 522.605 5.459 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865694857 DFUZDHUYIQEDCS-VWLOTQADSA-N 507.034 6.274 50 10 KKGE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695578 QAYCFTBANGHYHU-VWLOTQADSA-N 503.389 6.285 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OC 1865695623 QWWCVBZRLPKTNZ-LJQANCHMSA-N 522.886 5.368 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1865701310 RXKLTRWFBYRELZ-AREMUKBSSA-N 527.024 6.419 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702900 HVXNFUVALVPVMA-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)cc2)ccc1OCc1ccccc1C 1865703088 MUBXQXOQULMEJF-MUUNZHRXSA-N 541.051 6.592 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1C 1865703130 NNYQMVWRZJCVJU-GDLZYMKVSA-N 524.596 5.883 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704373 UMZLUENWKVZFHI-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865705076 LKKVNGNFCXWQTI-AREMUKBSSA-N 575.452 6.496 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865706595 ADVPRPZAYXYDID-VWLOTQADSA-N 545.565 6.144 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709028 LXXUYTHWDNAJMD-HSZRJFAPSA-N 530.943 5.316 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C)c1-c1ccc(Br)cc1 1866129674 FHQPJKJSSKGUGI-GZTJUZNOSA-N 529.843 6.862 50 10 KKGE N#CSc1ccc(NC(=O)c2cc(O)c3cc(Br)cc(I)c3n2)cc1 1866531845 VRLHONKKKRBMNX-UHFFFAOYSA-N 526.153 5.133 50 10 KKGE CC(C)[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1866971226 KQDCSJAUNJFZSY-FTJBHMTQSA-N 521.683 6.195 50 10 KKGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867198479 UNIMMGVBVHOHGC-VWLOTQADSA-N 575.488 5.894 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCCc4ccc(N5CCCC5)cc43)nc(-c3ccccc3)n2)cc1 1868364942 IRTLZNZRLYAESR-UHFFFAOYSA-N 504.663 7.145 50 10 KKGE COc1ccc2c(c1)C[C@H](C)CN2c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868413874 DVMXAJLEOUAQHD-SFHVURJKSA-N 514.054 7.453 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N(Cc3cccnc3)c3cccc(C)c3)n2)cc1 1868528607 WORNPMXZDHJUNY-UHFFFAOYSA-N 544.684 7.901 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(\O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)c1 1872754609 AJVCHLKDWKYZKY-ZYNBKEAPSA-N 505.423 7.174 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccccc2)cs1 1872789974 CDAWMXSBLLQTAN-MTDXEUNCSA-N 500.623 8.032 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)cc1 1872795307 YLAVVINPXCHNNB-HAVVHWLPSA-N 511.647 6.927 50 10 KKGE F[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1898078453 NXGFXZWZKOBCRT-UCLJIRJESA-N 544.676 6.531 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1sc(Cl)cc1I 1900924943 RWYOXFWYIFBMMI-ZETCQYMHSA-N 513.445 6.018 50 10 KKGE COc1ccc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)cc1Br 1923066028 KTLZPIALCLQCFW-SECBINFHSA-N 509.872 7.026 50 10 KKGE Clc1cc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)ccc1Br 1925583633 FDDKTYAHBVURHX-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE C[C@H]1COc2ccc([C@@H](Br)c3ccc(I)c(Br)c3)cc21 1925679291 KZKWKRVPOUQJQO-XXFAHNHDSA-N 507.991 6.034 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1cccc(I)c1 2036573845 ZPCXFXYALRSDGG-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1I 2053623212 LWLHFYDMGJSBKR-UHFFFAOYSA-N 549.195 6.723 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2(CC3CCC3)CC2)c1Br 2069582231 ZAYBXWCMOVGSRA-SNVBAGLBSA-N 521.938 7.442 50 10 KKGE Cc1cocc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085493708 FWZQIVLEBACQPN-LBPRGKRZSA-N 522.256 6.966 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CC2)c1Br 2085494984 OOEZHQXWFKIABY-OPVBNTEQSA-N 566.751 7.219 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2I)c(Br)c1 2142289208 PCTYUFHGZIDEGU-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE ClCc1ccc(Br)c(Cl)c1Oc1c(I)cc(Cl)cc1I 2154354770 AHKWCUXAHPDNCG-UHFFFAOYSA-N 618.261 7.496 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc(Cl)c(Br)cc2F)cc1Br 2167393269 AKWCJXBOANMWAL-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N1CCC[C@@H](OCc2ccccc2)C1 2186391491 UZAAWJUMCBZWTB-GOSISDBHSA-N 517.283 5.022 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(C)c(Br)cc(C)c1Br 2201070253 MYQIOVYZINFORD-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cc1cc([C@@H](Br)c2csc3c(Br)cccc23)ccc1I 2207104552 RVAICKQNVKBBKE-OAHLLOKOSA-N 522.043 7.061 50 10 KKGE Cc1ccc([C@H](Br)c2c(Cl)sc(Br)c2Cl)cc1I 2217864718 OKQIXBAZTFZPLT-VIFPVBQESA-N 540.873 7.215 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1 2293198448 RLBWBWISNXIBLX-QFIPXVFZSA-N 607.744 7.474 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2294162143 RZEIXIXJMJBCTE-UHFFFAOYSA-N 538.181 5.497 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1nn(CCO)c(N)c1C#N 2295146355 MXYRLOJMLAOELD-UHFFFAOYSA-N 533.213 5.042 50 10 KKGE N#CC(=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1ccc2c(c1)OCCO2 2295669919 KZOPTRVWPDFBCC-UHFFFAOYSA-N 505.741 6.136 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1 2296705118 RPMFAECIBKMOSZ-UHFFFAOYSA-N 534.660 7.443 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296790005 ITCDUFMBYYYDHE-UHFFFAOYSA-N 612.512 5.913 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)C=Cc1ccccc1 2296908757 BROYUTUZQKOFRJ-IBGZPJMESA-N 586.503 5.367 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1)c1nn(-c2ccccc2)c(N=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1C#N 2297534149 UDERPQWBRUBSRP-UHFFFAOYSA-N 719.426 10.467 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2297640054 KVDROKJOWGJFSX-UHFFFAOYSA-N 593.757 6.285 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518821 VHRYTALRNCRXOL-UHFFFAOYSA-N 593.248 7.040 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518896 YMUIUHZATKFKDQ-UHFFFAOYSA-N 546.248 6.567 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591946 IJWNYSAXQNZMJP-DEOSSOPVSA-N 537.563 6.087 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592581 YDOKBJCGBQHQOW-AREMUKBSSA-N 516.066 6.837 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314609985 BHWTZIMGIUAXJP-UHFFFAOYSA-N 542.639 6.511 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1 2314634332 DSTLEQYNOGNHRO-SANMLTNESA-N 519.428 7.128 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OC 2314728864 OQHGAMSGGYWQAZ-UHFFFAOYSA-N 510.656 6.317 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C)cc1C 2314760323 LBBFPZPATIDFDQ-UHFFFAOYSA-N 502.567 5.283 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1Br 2317420388 OJCQESQBDFSENF-SNVBAGLBSA-N 521.869 6.967 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CBr)(OCc2c(Br)cccc2Br)CC1 2318204880 ZRCHHYYQJCFNQX-UHFFFAOYSA-N 542.106 5.893 50 10 KKGE Cc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)c(C)c1 2331393969 NZYQNLRTVHMGNK-UHFFFAOYSA-N 517.876 7.803 50 10 KKGE CC[C@H](CC(F)(F)F)[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362235155 KPBVTOSNWHVOFL-MLUIRONXSA-N 505.369 7.419 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cc(Br)sc2Br)c1Br 2365185025 VEUFLBOTDVMFSJ-NSHDSACASA-N 568.350 7.443 50 10 KKGE COc1cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)sc1Cl 2365842875 NLSQDPMFVATZCC-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1scc(Br)c1Cl 2380951222 FKZURSVLCHSKSF-ZDUSSCGKSA-N 501.509 7.843 50 10 KKGE Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O 2331832 RAZDODOUPLDNHQ-XCQFTPQJSA-N 508.430 6.367 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cccc(OC)c3)cc2)sc2c1CC[C@@H](C)C2 6167528 FGTJFHGIDQSLQL-FMONZUKSSA-N 563.676 5.228 50 10 KKGE COc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1 20228358 BDALJGCZDWKTET-VCHYOVAHSA-N 508.328 5.448 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 38676879 TYEUARVZIBHHBM-RUZDIDTESA-N 505.368 5.214 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)c1 38686565 XRFYLJDIYJEQKG-WJOKGBTCSA-N 518.569 5.777 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCCc3ccccc3)c(OC)c2)c(Br)c1 40960143 YLVQQSHYSLZLFE-RDRPBHBLSA-N 525.443 5.561 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 58894879 SXUWHSFGAVYWPQ-NYFJFQCHSA-N 511.018 5.680 50 10 KKGE O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206145 LDUMPJSBBJLVPJ-UHFFFAOYSA-N 579.278 5.557 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 101013103 CCWSXOKMYFMTPT-XYGWBWBKSA-N 552.483 7.363 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246144 ZZVGFJZSWYLMLA-OGCOBRASSA-N 538.456 6.375 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 101304947 AVDVVICSVHMMCJ-MTDXEUNCSA-N 575.068 6.858 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362427 BQNGISPDSRKNLZ-ZJIKVMDUSA-N 556.662 7.400 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 101367950 OBUOHIJLHLLWCP-GDLZYMKVSA-N 532.568 5.606 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101372127 OVXZRSMQTKMMED-JZVRGSIDSA-N 593.507 7.798 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1 101377681 HPKCTFLPLUNBSZ-PMERELPUSA-N 547.051 6.892 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 101378987 IPGBYHWFZKLATL-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381065 HYFQHUCQBQOIRK-LJAQVGFWSA-N 557.433 7.318 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@H]1c1c(Cl)cccc1Cl 101394302 WPISLFLQAVVLOS-HXUWFJFHSA-N 562.261 7.952 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101395010 DFLMJAAYQRPEDY-RUZDIDTESA-N 565.478 7.824 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1Cl 101396402 SHKKGSRNKFTCIX-GDLZYMKVSA-N 595.523 8.035 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101396969 GSUWUVSIGAAEOG-LJAQVGFWSA-N 595.523 8.179 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399730 VPVYYJDYAVJVSE-ZWXJPIIXSA-N 611.050 6.281 50 10 KKGE O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1cccn1-c1ccc(Br)cc1 103793359 AHCAIOZQMWTBOW-KKMKTNMSSA-N 607.100 5.842 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 105436812 QEVJGMMLSOYITG-NDZAJKAJSA-N 535.600 6.596 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2Br)sc1Br 126039519 KOXSSHHDVLMDMP-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(Br)cc1 150422825 NGUIHKJCHRQAFT-XZJBEKIMSA-N 637.312 5.995 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442574 FVSLVBXDBRJHPG-GFYXNQJFSA-N 900.979 7.305 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OC 150486002 HKPIFRDCLCRYCK-MUUNZHRXSA-N 672.030 9.657 50 10 KKGE CCOc1cc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc(OCC)c1OCC 206394779 CKZNHWUEEVYABM-IWIPYMOSSA-N 544.604 5.334 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214354099 WHBZDVHRLUAGSE-CEUNXORHSA-N 526.596 5.897 50 10 KKGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 216871724 WFQDLURORGCPQK-ZXPTYKNPSA-N 504.678 5.282 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1 227845722 VCQZUDYPAAGLBJ-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE Brc1ccc([C@H](Br)c2csc3c(Br)cccc23)c(Br)c1 232482653 IUKVEWVNFOFZNO-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1csc2ccccc12 232482983 WMNXLAWWUGPSJP-OAHLLOKOSA-N 508.016 6.753 50 10 KKGE Cc1cc(Br)c(OCC(=O)NN=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c(Br)c1 252597582 CTHLRGQKIBWNIF-UHFFFAOYSA-N 540.639 6.271 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 252603924 FUUONQWXFLFCBI-AREMUKBSSA-N 553.460 6.763 50 10 KKGE O=C(COc1ccc(F)cc1)NN=Cc1c(OCc2cccc(Br)c2)ccc2ccccc12 252631111 VIEPQUKKRLFCIN-UHFFFAOYSA-N 507.359 5.850 50 10 KKGE O=C(NN=Cc1ccc(I)cc1)c1ccc(OCc2cccc(Br)c2)cc1 252634077 WKFVRHZWQWKXNC-UHFFFAOYSA-N 535.179 5.397 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)nnc2-c2ccccc2)cc1 254877458 BGFOPRQZZOLWBU-UHFFFAOYSA-N 549.656 5.764 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc(C)cc3)cc2)S(=O)(=O)c2ccccc2)cc1 263630338 DSLRNOKPZWPSRB-UHFFFAOYSA-N 557.672 5.318 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 302581203 CUOONZMQEJGUOG-ZETCQYMHSA-N 563.878 7.600 50 10 KKGE CC1(C)[C@H]2CC[C@@]1(C)C(=NNC(=O)c1cc3n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 575733360 QCDAPCLAWUINIF-VPEGZRAHSA-N 527.513 6.250 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(F)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616330 JIAFIVAKARUNQS-LJQANCHMSA-N 542.880 6.709 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1 1083887232 GQAORDAAEIYLPD-UHFFFAOYSA-N 526.039 5.810 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(F)cccc2Cl)c2cccc(Cl)c2C)cc1 1083987856 NBJMIKIESIJNMJ-UHFFFAOYSA-N 508.402 5.095 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084346974 BAYZBTOHAFBAIH-VWLOTQADSA-N 576.318 7.027 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748396 PMOFFGIDKLFIQX-UHFFFAOYSA-N 535.771 6.179 50 10 KKGE Cc1cccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)n1 1772750205 XCUXBIUFLKLROR-UHFFFAOYSA-N 501.370 5.086 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750260 YERJEZYIRFPSJD-UHFFFAOYSA-N 544.391 5.169 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccccc5Cl)c(C)c43)coc2c1 1772751462 CHKHDJCQFNIYQE-UHFFFAOYSA-N 503.986 6.256 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OCC 1865686839 CFBFRJZQNPBRSA-MHZLTWQESA-N 541.051 6.988 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OC 1865695434 CLHQSPWVHIMXLW-AREMUKBSSA-N 504.606 5.819 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 1865704457 WJRMQKZQXUVACG-LJAQVGFWSA-N 561.041 6.998 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](C)c2ccc(Br)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866942013 HYKDOKRHFKZMRF-CRICUBBOSA-N 566.477 5.417 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005991 OWOADAUGZDVMCL-KAYWLYCHSA-N 534.081 6.259 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867065894 CTLSUAGCHPSIQC-VWLOTQADSA-N 560.676 5.830 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072435 UNPAKTPLVQBJEF-MHZLTWQESA-N 588.780 6.381 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)cc1 1867193480 WSSBDZLSWCHNDF-HHHXNRCGSA-N 558.667 5.827 50 10 KKGE COc1cc2c(cc1OC)C(C)(C)CN(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)C2 1868206944 AEAAPQJLXFDDNW-UHFFFAOYSA-N 537.689 6.699 50 10 KKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1 1868414991 SHFIDYQTWJPAFV-MUUNZHRXSA-N 512.082 7.874 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1C 1868544248 BFPWVKAPUKQMJL-NDEPHWFRSA-N 577.754 7.927 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 1872751846 WTZANSNDNYZHDF-OQICMLARSA-N 515.635 6.230 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(CC)cc3)n2)cc1 1872753286 PNYGVFOKDIRMBD-OHYPFYFLSA-N 504.696 8.374 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccccc3I)n2)cc1C(C)C 1872754004 XZSMBUUTUURESU-PYCFMQQDSA-N 516.404 6.805 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)CC1=O 1872754910 OXIWSGSESNLRBX-GYSBHSFWSA-N 501.652 6.406 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1C 1872758061 JPKAHAYVKBNLBN-LVWGJNHUSA-N 511.559 5.775 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1OC(C)C 1872782315 DDGXNPBKOFPFPU-FRKPEAEDSA-N 500.374 6.341 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCCN1CCOCC1 1872793297 SJCSWCWARSRBHS-PXLXIMEGSA-N 505.640 5.219 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)ccc1OCC(=O)N(CC)CC 1872795175 RGSWXRUKSDEXQV-HYARGMPZSA-N 519.667 6.146 50 10 KKGE Brc1sc(Br)c([C@@H](Br)CC[C@H]2CCCO2)c1Br 1924582978 DNXQNTLMKPGNSL-RQJHMYQMSA-N 511.899 6.431 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1I)c1c(Br)sc(Br)c1Br 1924596496 PKEKQTZQILZTSD-VIFPVBQESA-N 650.193 7.731 50 10 KKGE C1=CC(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)=C[CH-][CH-]1 2041190139 WBCJSVVKHGJUPA-UHFFFAOYSA-N 538.567 7.532 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)n(C)n2)c1Br 2083331250 XFJUSTVLWYKFHM-LBPRGKRZSA-N 501.842 5.500 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1ccc(Br)cc1I 2142289840 VBKHVDIGMCYARU-ZDUSSCGKSA-N 583.258 7.093 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Cl)c1ccc(I)c(Br)c1 2145954516 KXQVYPSNYDXPAA-OAHLLOKOSA-N 530.425 6.461 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCCCC[C@@H]32)c1Br 2166119410 LNFSNZAXUKURHB-DTHBNOIPSA-N 549.992 8.078 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1cc(Cl)ccc1I 2203005159 XYLCJGXSIYHRFW-ZDUSSCGKSA-N 550.843 6.853 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2c(Br)sc(Br)c2Cl)c1 2224056026 UAJZNWKXJZTREV-VIFPVBQESA-N 540.873 7.168 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232514834 WZMFCKZIFMOEKQ-NSHDSACASA-N 545.256 7.996 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(C)c2I)s1 2233021046 MBZTVOAXKJCDJC-ZDUSSCGKSA-N 530.063 6.444 50 10 KKGE BrC[C@@H](OCCOCCOCCOCc1ccccc1)c1cccc(Br)c1 2236085031 MSNJQNIAAHJFLI-OAQYLSRUSA-N 502.243 5.152 50 10 KKGE CCc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)sc1Br 2255979606 QWWPWBXVWCOBGY-LBPRGKRZSA-N 520.455 6.768 50 10 KKGE COc1ccc([C@@H](Cl)c2c(F)cccc2I)cc1I 2269555427 WNVKJASJMZICRG-CQSZACIVSA-N 502.492 5.372 50 10 KKGE Brc1cc2sc([C@@H](Br)c3cc(I)ccc3Br)cc2s1 2278103885 WHWQDDGFAQUTDI-ZDUSSCGKSA-N 592.941 7.577 50 10 KKGE Cc1cc(C(F)(F)F)sc1[C@@H](Br)c1c(Br)sc(Br)c1Br 2295056985 MUJMXUAFUDTLIB-LURJTMIESA-N 577.905 7.909 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc2ccccc12 2297533938 FEGLIEHQEIYPSR-UHFFFAOYSA-N 500.957 7.156 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1 2313548983 KPCXFNHGZSXANK-UHFFFAOYSA-N 528.008 7.522 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC 2313571497 XSMWAAGMFJSOSG-UHFFFAOYSA-N 517.150 5.551 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)C=Cc3ccccc3Cl)cc2)cc1 2313621196 NURPPQVTJMGKQW-UHFFFAOYSA-N 535.069 5.239 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592851 CUPGNUVQEYCNHO-SIBVEZHUSA-N 516.066 6.206 50 10 KKGE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314618106 HKBMNYJXFHQOQZ-UHFFFAOYSA-N 562.601 5.496 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314618523 OZQVXSSFQLTZJB-QHCPKHFHSA-N 577.084 7.335 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640636 GCSXNSNOABDGNZ-HKBQPEDESA-N 603.889 8.063 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2)cc1 2331237809 HETQOBPWHOHMJX-UHFFFAOYSA-N 514.650 8.784 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)c(OC)c3)n2)c(OCC)c1 2331473660 RPNSXSPMLDFWJT-UHFFFAOYSA-N 512.631 7.259 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cccc(F)c1I 2338028187 SEQCYTZLESMZMV-ZDUSSCGKSA-N 518.027 6.691 50 10 KKGE COc1cc([C@@H](Br)c2csc(Br)c2Br)c(OC)cc1Cl 2363540244 VPDUHELXVXIHFD-LLVKDONJSA-N 505.453 6.428 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)c(Cl)c1 2365186707 SYYPEJMPLSBUGU-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cc1ccccc1[C@H](CI)OCc1ccc(Cl)cc1I 2365655057 SQUCJNZRVNTNGN-INIZCTEOSA-N 512.556 5.946 50 10 KKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1scc(Br)c1Br 2366230545 QUECEUGJTHCFMC-MRVPVSSYSA-N 502.091 5.933 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC)C(=O)C(C#N)=C2C)cc1Cl 38603168 IAUJPADTESBGMO-HZHRSRAPSA-N 515.013 5.984 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 38654255 HLQQCXFEMIUEMB-NDEPHWFRSA-N 503.514 5.550 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(Cl)cccc3Cl)c(C)c2cc1C 38700559 PCRXUXLFAUFBRI-XMMPIXPASA-N 519.384 7.102 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc1Cl 38700581 PFULMSKXNRUNJN-NRFANRHFSA-N 501.753 6.093 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 38700952 JRERMJZMIQBLRZ-MUUNZHRXSA-N 524.573 6.366 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1C#N 59304367 ZGTNATSMMURKDT-CCVNUDIWSA-N 504.340 5.418 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)Cc1cccc2ccccc12 100083204 DJUVVXSUHBRQCU-UHFFFAOYSA-N 601.320 5.161 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1C 101304868 AJGYOLNINKGSHD-TURZUDJPSA-N 532.644 6.338 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101334323 NBJOVNSQTWLPMY-ZWFLUXFESA-N 577.084 7.162 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 101334662 VIEZGCKNKOMNIO-OGLMXYFKSA-N 522.649 6.212 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1 101336232 GRHCAFZLKBVFAB-RUMWWMSVSA-N 586.692 6.526 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101340376 ILOWKUGTKIWIQH-WPWMEQJKSA-N 540.591 5.647 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101340774 SZGRAUYCHXNKIG-UZWMFBFFSA-N 625.128 7.873 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 101368019 VQZZOAURJMHWSJ-VYALOUHUSA-N 566.698 7.399 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1OCC 101370684 YWDSISVDLQPMCD-MUUNZHRXSA-N 549.023 5.957 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374298 UOUNDJDMKJQTFZ-PMERELPUSA-N 542.632 6.346 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381175 WNMLFRNQOMAMOI-SANMLTNESA-N 533.367 6.603 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1F 101386710 KXMZIQGIENCKOI-GDLZYMKVSA-N 567.529 5.759 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387600 XTEKOHZEOXUMAM-WJOKGBTCSA-N 587.459 6.947 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1OC 101393210 CBBRSAUJPDSCRA-SSEXGKCCSA-N 625.549 8.187 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1Cl 101398823 GAWWQIGXIOWXSG-SSEXGKCCSA-N 619.476 7.938 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc(Br)c1O 101711363 BJVRTUZWJMEHGO-BRJLIKDPSA-N 534.204 5.122 50 10 KKGE Nc1ccccc1NC(=O)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 102103542 QYKATIYYBHVFTL-MVJHLKBCSA-N 557.590 6.020 50 10 KKGE COc1ccc2cc([C@@H](C)C(=O)N/N=C/c3ccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c(OC)c3)ccc2c1 103548340 JGISOROOEXEBOZ-UIUUPTCRSA-N 561.978 5.892 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1O 103730591 OFXNLWHIRIVTAP-DHDCSXOGSA-N 531.815 6.259 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C3CCCC3)cc2)c2ccc(C)cc2)cc1Br 103749377 OVCWIDCIHRGULI-UHFFFAOYSA-N 570.509 5.821 50 10 KKGE C/C(=N/NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 105436763 LQBSZPAZOPPIBP-BCJTWVECSA-N 568.699 5.798 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)I)CC[C@]4(C)[C@H]3CC[C@@]21C 118920949 QAKZCDKFOJOVRK-FIILXQAHSA-N 568.624 8.763 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150409292 IVTYAXRSGBQZCD-UHFFFAOYSA-N 688.236 6.021 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 150429965 NFPPHVJUZZQHQN-LUWBXXKHSA-N 639.148 8.032 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OC 150456045 NVYIRPCVVNUIRJ-XMMPIXPASA-N 700.830 9.124 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463065 BRVXDKXSKUOTEQ-CONSDPRKSA-N 631.468 6.545 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483962 FZTDYKNJQIINNF-GDLZYMKVSA-N 652.874 7.580 50 10 KKGE O=C(Nc1c(I)cc(I)cc1I)c1cccc(CCl)c1 154521687 VZBLYXIMAXFRAD-UHFFFAOYSA-N 623.397 5.492 50 10 KKGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC 206957646 JSKIWFRHSLTIRQ-CPSWPJCUSA-N 500.551 5.309 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214317116 NFKOLZIYAMDHJI-YKQZZPSBSA-N 584.607 6.643 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232345333 BZNPOXBJYZBIFN-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 252586896 UISXOAJBTYXLPL-PHUAQRLHSA-N 633.701 6.787 50 10 KKGE COc1ccc(-c2cc(C(=O)NN=Cc3ccc(OC)c(CSCc4ccco4)c3)c3ccccc3n2)cc1 252622390 NULUNCUEKBDNEE-UHFFFAOYSA-N 537.641 6.709 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)sc2c1CCCC2 254289557 HNRVTBJXGNCRQR-UHFFFAOYSA-N 583.666 5.573 50 10 KKGE O=C(Cc1cccc2ccccc12)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254378984 HQRHYZDOUHHANO-UHFFFAOYSA-N 536.635 6.964 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc1 254485380 SFIJYNZJIXGSKF-UHFFFAOYSA-N 575.738 7.053 50 10 KKGE CCOc1cc(C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)ccc1OC(=O)c1ccccc1 254818405 HTPKJBVDFUZQEI-UHFFFAOYSA-N 510.546 5.239 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(Cc4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256018957 CGUIOIFLDYWASS-IVNBPOILSA-N 712.523 7.472 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCCOCc1ccccc1)[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504697699 HWHRFDRXRCBUIC-MHEUVVKCSA-N 731.183 11.051 50 10 KKGE in-vitro CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2cnc3c(O)nc(/N=C/N(C)C)nc32)[C@@H]1O[Si](C)(C)C(C)(C)C 616587593 RJIVOTWXMBQEQW-KIZWDGMRSA-N 895.131 9.711 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@H]4NC(=O)C[C@H](Cl)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 675083737 MKZGQDFQXQLWNU-HVDBOSCNSA-N 564.998 7.017 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)ccc1O 725432096 RLQPYAGJNGWWNQ-UHFFFAOYSA-N 564.063 5.522 50 10 KKGE CCCCCCC[C@@H]1CC[C@](c2cc(-c3ccc(F)cc3)c(N(C)S(C)(=O)=O)nc2C(C)C)(C(C)(C)C)OO1 1082551738 JJTOVZQTDFDOMK-NJHZRGNWSA-N 562.792 8.119 50 10 KKGE CCN(CC)c1c(C=NNC(=O)C=C(Sc2ccccc2)Sc2ccccc2)c(C)nn1-c1ccccc1 1083915904 VOFDIQQGLBLBRH-UHFFFAOYSA-N 541.746 6.903 50 10 KKGE CS(=O)(=O)N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1Cl 1084111215 DMDUELSAVXIUQQ-UHFFFAOYSA-N 545.275 6.030 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(I)cc1 1084230514 ITXPPTYRXOXKPK-CXUHLZMHSA-N 658.117 7.494 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(COc2ccc(F)cc2)o1 1084298866 CQHKSLVAQDPCLO-LJQANCHMSA-N 534.617 5.018 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc2c(c1)OCO2 1084386158 ZUMITDGMIZGOSC-UHFFFAOYSA-N 616.262 6.428 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084518525 LCBQURFOFAXADW-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE O=C(COc1ccccc1Cl)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752498 VICAWSXBEDNLHO-UHFFFAOYSA-N 533.209 5.202 50 10 KKGE COc1ccc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1Br 1772756105 YXJHPOXHNHKGGR-UHFFFAOYSA-N 526.269 5.827 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688226 NLCNWWSEAAMOBT-MUUNZHRXSA-N 541.051 6.326 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689455 SIBOACSLEITXKR-QFIPXVFZSA-N 539.806 6.432 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3CC(C)C)cc1OC 1865692021 HMIHNMPAILXLAG-OAQYLSRUSA-N 517.468 5.660 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1OC 1865695828 HRQFWPKHYNSGLB-JOCHJYFZSA-N 512.532 5.995 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696480 NSSKRBYCAWVDPK-HSZRJFAPSA-N 577.410 5.441 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865697400 RJZWUVJWKAQPHV-AREMUKBSSA-N 561.469 7.252 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)ccc1OC(C)C 1865697412 RVVVOMATLGHLPP-RUZDIDTESA-N 512.997 6.207 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 1865700677 AVYFKCVHMZBCSY-MHZLTWQESA-N 547.442 6.352 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2cc(Br)cc(Br)c2O)C(C#N)=C(N)O3)cc1 1865700681 AYXUEUSOVIFMRK-LJQANCHMSA-N 574.273 5.663 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705409 VBYWBDSGWJSQFL-OAQYLSRUSA-N 536.897 5.982 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711892 KVZGRIXSPRHPHP-JOCHJYFZSA-N 522.914 6.342 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714139 DNWNCZZHKVBKHX-SFHVURJKSA-N 500.194 5.178 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714349 IBZNKWXQDHUFDF-LJQANCHMSA-N 504.215 6.112 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)n2)cc1 1868320634 MUHJSVSEDWCORV-RUZDIDTESA-N 507.667 6.712 50 10 KKGE CCc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)cc1 1872744282 KVIMUONWIPOHHP-FLFQWRMESA-N 514.072 6.150 50 10 KKGE N#C/C(=C(/O)c1cccc(N2COc3ccc4ccccc4c3C2)c1)c1nc(-c2ccc(F)cc2)cs1 1872752099 NOFZPYCDCKSWJT-GNVQSUKOSA-N 505.574 7.409 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C(C)C 1872753724 JZOBBGLTSQKNPC-BZZOAKBMSA-N 511.087 8.173 50 10 KKGE N#C/C(=C(/O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)cc2F)cs1 1872818182 QGSQXXBDSXUTLH-OQICMLARSA-N 513.525 5.788 50 10 KKGE Clc1cc(I)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)s1 1901026167 NSADNMGDTNDZMD-QGZVFWFLSA-N 519.629 7.069 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901582399 OEWMMFIKHHBHSJ-CYBMUJFWSA-N 506.609 5.761 50 10 KKGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)c1Br 1915176210 HKBKXBKBBFLONY-MRXNPFEDSA-N 507.313 5.492 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1916371298 XBXNHMDEDCIPPF-HNNXBMFYSA-N 567.059 5.106 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cnn(C)c2I)c1Br 1922892614 AZXYHECGPRJUQB-ZETCQYMHSA-N 554.871 5.404 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1I 1924596020 HYNLZYZAMXKXAR-SECBINFHSA-N 585.324 7.277 50 10 KKGE Cl[C@@H](c1cc2c(s1)CCSC2)c1c(Br)sc(Br)c1Br 1924601313 WVTNHGAFLBYZPY-JTQLQIEISA-N 523.562 7.215 50 10 KKGE CC(C)(C)OC(=O)Nc1c(I)cc(I)c([C@H](Br)CO)c1I 1951567586 KQENALYJBPXGLH-ZCFIWIBFSA-N 693.883 5.276 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1ccc(I)c(Cl)c1 1995477969 ARZFSRUZJMVEJN-IBGZPJMESA-N 506.653 6.366 50 10 KKGE FC12CCC([C@H](Br)c3c(Br)sc(Br)c3Br)(CC1)C2 2039756310 SHNXPFZZBBGJJI-HUUUCTMMSA-N 525.901 7.144 50 10 KKGE Brc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2085494768 NJKXJOADQBBAFN-LLVKDONJSA-N 631.576 7.576 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2C[C@@H]2C1 2085495421 KPJVNSDHTQMZJI-CAIWHHBDSA-N 522.300 7.063 50 10 KKGE FC1(F)CCC[C@@H]2[C@H]([C@H](Br)c3c(Br)sc(Br)c3Br)[C@@H]21 2114391490 GNRKRJMZABAKGS-ROHCDXGRSA-N 543.891 7.153 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2scc(Br)c2Br)cc1Br 2137639154 DBDMFYOATUMWJU-NSHDSACASA-N 509.872 7.026 50 10 KKGE Brc1cccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2141471473 RTFBHJKECXVJBR-NSHDSACASA-N 641.615 7.983 50 10 KKGE C[C@@H]1C[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCO1 2141473089 KZFLKRPJVALYEF-AMXGMDGSSA-N 584.766 6.988 50 10 KKGE CO[C@@H]1CC[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474082 XBFYTQOPQUHSMR-BRDIYROLSA-N 584.766 6.988 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2142289839 VBKHVDIGMCYARU-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE CC1(C)CC[C@@H](c2sc(Br)c(Br)c2Br)C[C@H]1Br 2216420357 MRAXSKMANVTCIB-RNFRBKRXSA-N 509.927 7.093 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1 2225635945 YHURLQQJHKXXQT-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)cc(Br)c2)c(Br)c1C 2253472566 BRKZPRMFDULZGO-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1cc2sc(Br)cc2s1 2278019212 HZIPQFNSCBBDNL-CYBMUJFWSA-N 501.490 7.626 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2293198188 GEKYBYVAGJLQCZ-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(Br)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 2294168580 SYMYPUMQHVLGOE-UHFFFAOYSA-N 530.191 6.475 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cn(Cc3cccc(Br)c3)c3ccccc23)c(OC)c1 2295672357 PRVUNDCAGXJFDV-UHFFFAOYSA-N 516.395 6.015 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NC1CCCCC1 2296730312 UNSYMKUMHWHVBO-UHFFFAOYSA-N 520.608 6.613 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570845 HNPHXCPHEOQOSG-UHFFFAOYSA-N 678.151 8.638 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(C)c1Br 2314444277 KRIHWQCKQJUQDQ-IBGZPJMESA-N 545.134 7.953 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3ccc(F)cc3)c(Oc3ccc(Br)cc3)nc12 2314532249 HZWPQTPGVRHRLN-UHFFFAOYSA-N 519.330 5.243 50 10 KKGE CCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 2314592965 FDHAFFQMOUSTOP-RBTNQOKQSA-N 509.675 6.115 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 2314617007 OTYSDXCUPSONAT-UHFFFAOYSA-N 604.638 6.378 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314619944 HOBCUXSQEDOAQZ-UHFFFAOYSA-N 574.637 5.400 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 2314621120 ZBNAQLBEJUGFCQ-OAQYLSRUSA-N 575.068 6.617 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643092 BCOPOASHMRHSSK-MGBGTMOVSA-N 579.052 7.073 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc2cc(Br)ccc2o1 2314792568 XDEOBSCYRXFPJQ-UHFFFAOYSA-N 508.755 7.141 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(I)sn1 2317411575 WEEPQPZQMPJHLZ-SNVBAGLBSA-N 525.406 6.048 50 10 KKGE CCCC[C@H](NC(=O)C=C(CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 2321358942 VVISILJJXITHQG-QFIPXVFZSA-N 530.488 6.138 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc(F)c(F)c2)cs1 2331352359 MOTQUWZBRQTAOZ-DEOSSOPVSA-N 513.525 5.788 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 2331453814 NQQWYLXXFSGQBW-UHFFFAOYSA-N 513.413 6.553 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCCc1ccccc1 2331474768 JCXZASUFAMHLQM-UHFFFAOYSA-N 517.050 7.475 50 10 KKGE Cc1cc(Br)c(F)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336087678 ZEUMLZAWZHHAMW-FQEVSTJZSA-N 543.068 7.722 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1scc(Br)c1Cl 2339689835 FZLSBYFCFWBKCQ-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE Cn1nc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1Cl 2362235764 NKHIYNMKOHPPSV-ZETCQYMHSA-N 574.695 6.638 50 10 KKGE Cc1sc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1C 2362241258 VFMQVIVXXNLZMU-NSHDSACASA-N 525.890 7.773 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCCCC2)cc1I 2362442605 ZFFDMSPXIQPCDO-UHFFFAOYSA-N 534.501 6.844 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1ccccc1 33686973 GKRPVLKFXXYFJK-STZPCZCHSA-N 515.367 5.034 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 38681960 DONOHWDRFMMZNE-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccccc6C[C@H]5C)c(C)c43)coc2c1C 40826646 NCFSAXBBZDOEBV-XHOKNZHZSA-N 509.606 5.942 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccccc1C 40947708 QSQNXFHUHCNFEE-JFLMPSFJSA-N 504.637 5.344 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@@H](C)C2 53305719 LECQRYMNQNEDKK-VQCBNXJZSA-N 529.445 7.162 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21 59157927 NSXPTNAJQXSSNO-VBMGMRCRSA-N 523.036 5.410 50 10 KKGE CCc1ccc(NC(=O)CS/C(NC(=O)c2ccccc2)=C(/C#N)[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)cc1 100161171 ZPIJJBDUBDGOHB-QZURUXSQSA-N 608.163 7.796 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1Br 100181107 DOLNGQWZHMYRAN-UHFFFAOYSA-N 556.295 5.600 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc3cccnc13)[C@@H]2Br 100922068 MIAYSQXQHRIANW-CCKFTAQKSA-N 531.086 5.859 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)S(=O)(=O)c3ccccc3)c2)C1 101014202 FEWNGVNCCGVVKT-VANUURBVSA-N 586.739 5.544 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246783 WJUKRJYBPRMUBK-NNHPPCHPSA-N 578.488 5.921 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1 101314553 YKEFHJQCPWFXSY-XMMPIXPASA-N 523.372 6.004 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101341623 KCNNZYXPHFYPEZ-RUMWWMSVSA-N 616.674 5.290 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5C)ccc43)c2)cc1 101382336 JCPQWHQBYIUYFO-XIFFEERXSA-N 546.623 6.393 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384304 WWEBOUKYDQUSQO-WWOZWPLTSA-N 554.549 6.135 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386001 QXHIDAADXHNMGL-PMERELPUSA-N 553.014 6.673 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388610 DBPCAFNMJKDACZ-QTYPKTMWSA-N 615.057 7.048 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 101799661 KGQCHDLSWLBVOD-WOJGMQOQSA-N 549.849 5.536 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12 102932865 FBMSRVMIIOOOAP-ZHZULCJRSA-N 541.947 6.565 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 103725928 VRSQCCDCMJOKAX-RUMWWMSVSA-N 542.657 5.618 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 150429096 IBWFQLXMPWHBKA-PMERELPUSA-N 657.575 8.932 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433571 OPFDNQGJVZQWJV-PMERELPUSA-N 632.456 7.317 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 214272639 PEDVGULUMXDZRL-LQNQUEJISA-N 560.629 6.506 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1 214316322 OPDDMXLLLKMKMZ-VEILYXNESA-N 548.668 6.817 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214318705 AFVJGGLVZDNJGQ-NTFVMDSBSA-N 532.600 6.020 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 234862098 ARVTVNSYBULYCE-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)c(C)cc1Br 235862191 PJJCPTKWUKJJAK-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1csc2c(Br)cccc12 236039551 REOTUYJPRQEVJF-CQSZACIVSA-N 542.461 7.359 50 10 KKGE Cc1ccccc1[C@@H]1C(C=NNC(=O)CSc2nc3ccccc3s2)=C(c2ccccc2)Oc2ccccc21 252598692 DCANPJPPOYCENZ-PMERELPUSA-N 547.705 7.435 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4ccc5ccccc5c4)c3C)sc3c2CCCC3)cc1 252626839 RGPUMUHLEVZCEX-UHFFFAOYSA-N 560.723 7.512 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2)cc1 254522216 ZUTQQPFHEJEDSY-UHFFFAOYSA-N 546.215 5.268 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(Oc3ccccc3)Oc3ccccc3)cc2OC)cc1 254625421 RJAVDYJXJSFLSW-UHFFFAOYSA-N 554.599 5.637 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 254825991 RKERKRZNNNCYCL-UVONBQQPSA-N 514.676 5.542 50 10 KKGE Cc1nn(C)c(COc2c(Br)cc(Br)cc2CBr)c1Br 312478611 NJPRPWHBOWJCBM-UHFFFAOYSA-N 531.868 5.490 50 10 KKGE C[C@]12CC[C@@H](OC(=O)c3cccnc3)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N\NC(=O)c3cccnc3)CC[C@H]12 504217407 DKNFYEFBCLXZNI-VNYJKYRWSA-N 512.654 5.751 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCc2cccc(c2)CO3)cc1 642813885 CIMBYUVPNNIOMM-UHFFFAOYSA-N 656.702 8.341 50 10 KKGE COc1ccc([C@H](Cl)c2scc(Br)c2Br)c(OC)c1Br 705466863 VYCHGFCGNMOIJZ-NSHDSACASA-N 505.453 6.381 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 725385542 QHSVMOYYEXEIRP-UHFFFAOYSA-N 555.487 5.990 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 1083908876 LBNZLYOMBZYHOV-UHFFFAOYSA-N 596.734 9.341 50 10 KKGE COc1cc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccc(Cl)cc2Cl)cc(OC)c1OC 1083995666 ZTQXVPNAJPHFHW-UHFFFAOYSA-N 502.354 5.035 50 10 KKGE C=CCOc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 1084017576 LODLZTVJQRELEB-UHFFFAOYSA-N 561.423 6.386 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084131353 KRJFKEWJSLGZNG-OAQYLSRUSA-N 544.684 6.605 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 1084169132 JLKBTSYDQAWNHE-DEOSSOPVSA-N 565.881 6.597 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Cl)cc1 1084200647 LJQKCAOWCJNUHU-CIAFOILYSA-N 586.857 7.085 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc(Br)cc1 1084217055 ZTUZEDGESPJXMS-HHHXNRCGSA-N 581.507 6.128 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1Cl 1084254492 GILDSZTWRKGGLU-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2ccccc2c1 1084271666 HGDYUHVDHGKZBC-LPYMAVHISA-N 503.385 7.280 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084444632 CJESYWBXISTHOS-UHFFFAOYSA-N 538.225 5.873 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C2\C(Cl)=C(Cl)/C(=N\S(=O)(=O)c3ccc(C)cc3)[C@@H](Cl)[C@@H]2Cl)cc1 1542993195 KJVBAWAOJCRNGK-MZXFVCKWSA-N 554.304 5.181 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@H](Cl)CCCCC)CC[C@@]4(C)[C@H]3CC[C@@]12C 1565538111 UYCWFCMOPJKMKJ-IARIDJRASA-N 533.281 10.416 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653143 LFQWMIWTRSOLCQ-KRVQGWEHSA-N 584.063 7.225 50 10 KKGE Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744320 CBSOZTNKRZHTKQ-UHFFFAOYSA-N 500.433 5.238 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OCC 1865687188 LQWMXRUMCJEBCX-HHHXNRCGSA-N 500.643 5.988 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCCc1ccccc1 1865688691 YKFWXNABFIFOFN-NDEPHWFRSA-N 510.569 5.227 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(F)c2)cc1OCC 1865688942 FZBZJFSYSRGUGR-HHHXNRCGSA-N 540.595 5.762 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689056 IYXHGJQFHJHFHP-IBGZPJMESA-N 550.240 5.495 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 1865689657 VRNYPUVSTQUURU-MHZLTWQESA-N 563.441 6.302 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OC 1865691504 UITTYVVEVISGSB-JOCHJYFZSA-N 561.839 5.810 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865694566 XDCNXKKLQMFKME-AREMUKBSSA-N 561.469 6.921 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865694870 DOFDVHBXRISWGQ-HSZRJFAPSA-N 554.931 6.540 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695897 VHHGIAAWPWSCRM-MHZLTWQESA-N 529.015 6.474 50 10 KKGE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865705534 YPPUCMWONVFAOT-MUUNZHRXSA-N 524.580 6.285 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H]3C(=O)NC3CCCCC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433324 IDTIMKOBXPTNGI-DEOSSOPVSA-N 533.101 6.531 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(=O)N4CC(C)(C)c5ccccc5[C@H]4C3)n2)c1 1868505880 MHAUXHXGDNEFLG-HHHXNRCGSA-N 562.699 6.150 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)c1nc(-c2cccs2)cs1 1872750597 MIKZTNVPUQVPGZ-NKFKGCMQSA-N 513.556 5.346 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc(Cl)s2)cs1 1872757900 BFUKLDZMGMFELE-FXBPSFAMSA-N 504.980 5.666 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)COc3ccc(C)cc3C(C)(C)C)n2)cc1OCCC 1872817978 GPEDYQRNSNJISN-LVWGJNHUSA-N 520.695 7.865 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Br)/C(O)=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1873941093 VZRIWIQWIPCNKW-HSHIVQNRSA-N 506.765 6.394 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(Br)sc2Br)s1 1900918497 GCKVTFGUASAVDI-ZETCQYMHSA-N 577.326 7.077 50 10 KKGE ClC[C@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904344924 ZYQWOOYCDSQRHX-LJQANCHMSA-N 504.637 6.073 50 10 KKGE Cc1ccc(Br)c([C@H](Br)c2sc(Br)c(C)c2Br)c1 1922897316 MOUDOBLXIMYOIC-NSHDSACASA-N 517.906 7.137 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2sc(Br)cc2Br)c1 1922943399 VOMVNLQKMXWCCX-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE Cc1c(F)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605081 MCNKXMFIAJPSHK-SECBINFHSA-N 521.869 6.967 50 10 KKGE Cc1nc([C@@H](Br)c2cc(Br)ccc2Br)c(Br)s1 2003562352 IJHSGNBVQIMORM-VIFPVBQESA-N 504.867 6.223 50 10 KKGE Cl[C@H](c1ccsc1)c1c(Br)c(Br)cc(Br)c1Br 2025781256 FKFKFEUWYHHPSZ-LLVKDONJSA-N 524.297 7.126 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2048340802 VHWWRKZLKBLGMR-ODHVRURNSA-N 521.938 7.298 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccc(C(F)(F)F)cc3s2)ccc1OC(=O)c1ccccc1Cl 2053621798 YZFVDOXGTQHEPY-UHFFFAOYSA-N 514.912 7.260 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CCC2CCC2)c1Br 2085493532 CTDQMXPCJDPCIH-MRVPVSSYSA-N 568.767 7.753 50 10 KKGE O=S1(=O)CC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495957 UKNVKCFQKLBTRU-LDWIPMOCSA-N 546.300 5.204 50 10 KKGE CCC1CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085499009 QYTSEKCDDRYQQI-OGIFLDNPSA-N 568.767 7.609 50 10 KKGE FC1(F)CCCCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2108665213 RAIWGGSZACAXSK-XPUUQOCRSA-N 545.907 7.687 50 10 KKGE CC(F)(F)CCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141474021 WJAPTZPMISLIMH-MRVPVSSYSA-N 548.285 7.842 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1csc(Br)c1Br 2150344983 XPIXAWZFZCKRQW-NSHDSACASA-N 547.932 7.145 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2nn(C)c(Cl)c2Br)c1Br 2201079598 UCCSDHJKKTWCBS-SNVBAGLBSA-N 550.314 6.462 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)ccc2Br)c1Br 2201082525 QODKNMDJASYXDH-HNNXBMFYSA-N 590.773 7.838 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)ccc2Br)c1Br 2201082526 QODKNMDJASYXDH-OAHLLOKOSA-N 590.773 7.838 50 10 KKGE FC1(F)CC2(C[C@H]2[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206399187 DGYBHAHHHSDNMR-CDUCUWFYSA-N 602.731 7.608 50 10 KKGE O=C(c1cc(Br)ccc1I)N1CCCC[C@@H]1CCCBr 2206675991 YKFSAXVDPOPKPV-GFCCVEGCSA-N 515.027 5.224 50 10 KKGE CCOc1ccc([C@@H](Br)c2ccc(I)c(C)c2)cc1Br 2207106037 WKRWOAFPSJHKBN-INIZCTEOSA-N 510.007 6.245 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1cc(Br)c(Br)cc1F 2219002760 KKTATQCZZHZQKP-LLVKDONJSA-N 521.869 6.967 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2csc(I)c2)c(F)c1Br 2220498225 LNCFSDICJGRJRC-VIFPVBQESA-N 511.926 6.017 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2225689060 XOJSQIFJLQPDIE-UHFFFAOYSA-N 589.759 6.772 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Cl 2232529566 XWIMCCLJHMXQNJ-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE CC(C)[C@H](CN(C)Cc1ccccc1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234068952 AUHYWQMOZNXFMD-FQEVSTJZSA-N 513.705 6.629 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1 2235606953 XTTYYKYHIGQJSA-MRXNPFEDSA-N 525.904 7.384 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)c2c(c1)CCCO2 2279288978 YSHVAXMYIZXVLA-NSHDSACASA-N 501.465 6.736 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2c1CCCC2 2293031454 RJFFRESHVOQCJE-UHFFFAOYSA-N 511.943 5.781 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 2294193143 XSNDLPWXEWSBJX-UHFFFAOYSA-N 511.419 7.289 50 10 KKGE COc1cc(Br)c(Br)c(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)c1O 2294963535 UXJZBZJQGKBCFH-UHFFFAOYSA-N 634.300 5.052 50 10 KKGE CC(C)(C)OC(=O)N1CC(=Cc2ccc(Cl)cc2)C2=C(C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 2296651300 YFWOQBJKRYYPKI-HSZRJFAPSA-N 510.421 6.389 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2s1 2296715401 ZJNWYSMKVPSJFF-UHFFFAOYSA-N 553.669 5.234 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OCCOC)c1C 2296789914 BHXZFLJTSFFNHO-UHFFFAOYSA-N 565.629 5.243 50 10 KKGE O=C(Oc1ccc2ccccc2c1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl 2297322662 JJKZNCKHKOSQOO-UHFFFAOYSA-N 569.444 6.752 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C4=NN(c5ccccc5)[C@@H](N)[C@@H]4C#N)c3C)sc3c2CCCC3)cc1 2313565040 NWVYKBFLVZHNGV-CYTLCNBWSA-N 599.764 6.803 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566973 FNJZMZUKNORFIX-UHFFFAOYSA-N 678.368 7.042 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)oc12 2314450533 BJQQVWVHUCGGGC-UHFFFAOYSA-N 570.609 5.638 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592210 NXRGXDOHXGFVIJ-AREMUKBSSA-N 566.510 7.190 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592541 XBRGUULPYZYMAZ-RUZDIDTESA-N 501.583 5.598 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2cccc(Cl)c2)cs1 2331294453 UBNALZQAUUEWIM-DEOSSOPVSA-N 511.990 6.164 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)CNC(=O)c2ccc(Cl)cc2Cl)n1 2331349499 YLDUTBFKLANRAG-UHFFFAOYSA-N 516.450 6.646 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)ccc1OC(C)=O 2331396589 SPKYKJOPYGTZPM-UHFFFAOYSA-N 517.390 6.565 50 10 KKGE COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@]4(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2 2333317130 PFXQUFDRMQZVJI-WBJBRHIHSA-N 585.002 10.352 50 10 KKGE CC[C@@H](Br)[C@@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349823912 HETOZWFEIRILPA-DOMZBBRYSA-N 501.044 5.582 50 10 KKGE C[C@@H](Br)C[C@H]1CCCCN1Cc1ccc(I)c(Br)c1 2349828106 KOHSEQGVYCIIMA-DGCLKSJQSA-N 501.044 5.582 50 10 KKGE Brc1cc(CO[C@@H]2C[C@@H](Br)C23CCCC3)ccc1I 2350062280 VJYMLZPEDWYRED-ZIAGYGMSSA-N 500.012 5.667 50 10 KKGE FC(F)(F)c1cc(Cl)cc([C@H](Br)c2sc(Cl)cc2I)c1 2364119075 JKRLXUNWHHKMHI-JTQLQIEISA-N 515.947 7.163 50 10 KKGE Brc1cc(CN2CC[C@@H]3CC[C@@H](Br)C[C@@H]3C2)ccc1I 2377314685 HCFCWPXSKATWDQ-BFHYXJOUSA-N 513.055 5.439 50 10 KKGE O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1ccc2c3c(cccc13)CC2 1958875 WXJSZWINSGOHSQ-HWLOXFRGSA-N 519.648 7.768 50 10 KKGE CC(C)CCOc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1Br 14645580 RQFRYSBPXFFTCY-UHFFFAOYSA-N 511.416 5.381 50 10 KKGE Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(/C=N/NC(=O)c5ccc(F)cc5)(c5ccccc54)[C@@H]3C2=O)c(Br)c1 33356003 SWWSHKYOXLBVJN-LSWWMUDKSA-N 608.467 5.863 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 33554879 BJMJXVDKFVENMF-NNHPPCHPSA-N 518.661 7.283 50 10 KKGE CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 34744637 LIXOWXXIBOIXEJ-NCELDCMTSA-N 502.684 6.484 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38681672 VUGVYMZCRWKBCY-MHZLTWQESA-N 504.970 5.640 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 38686588 NEHJSDUFSHBCLV-HKBQPEDESA-N 518.569 5.640 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccco4)c(=O)oc3c2)cc1 40884179 WNECLZZIKWARFJ-KGENOOAVSA-N 512.518 5.007 50 10 KKGE CCc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1 58833325 YJJFFDATKHXSRV-NTCAYCPXSA-N 500.190 6.580 50 10 KKGE Cc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 58890518 WHTSWZULSZTKLI-TUEWPHFDSA-N 509.694 6.526 50 10 KKGE CCOC(=O)C(C#N)=C1C(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C1=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 80546187 IWYGJMCZNICZCX-UHFFFAOYSA-N 555.759 8.032 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)sc2c1CCCC2 97464843 AWCBRWJKDTXMTO-NTCAYCPXSA-N 514.470 6.666 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 100076855 HNGOMQOQCNDQJC-UHFFFAOYSA-N 606.123 5.386 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 100452470 NGMMGZMERHELPP-RJNBOEKGSA-N 546.259 5.755 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101332721 UAQFJPJHFZXGBG-FYJGNVAPSA-N 531.410 5.313 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 101336112 COVCQFWKNMBWRL-LPYMAVHISA-N 543.447 5.990 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 101336666 GSMBSGBCZNJZEV-ZCTHSVRISA-N 580.644 6.812 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OC 101367940 BGQBCMGHWCWUIF-GDLZYMKVSA-N 549.023 6.120 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379046 QHONIYLOIUZOCD-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)c(OCC)c1 101388342 BGODMDYUALQJMY-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)ccc1OCc1ccccc1F 101388818 UAELRIFXXRMZMH-PMERELPUSA-N 571.004 6.894 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(F)cc6c5C)ccc43)c2)cc1 101398272 CJIIWDRKQMYDRU-WJOKGBTCSA-N 560.581 7.205 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 101859265 XJJGRIHXJYNNDD-LFVJCYFKSA-N 546.023 5.272 50 10 KKGE CCOC(=O)/C(NC(=O)c1ccccc1)=C(/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102921154 XTTGFOAIYWNMTR-BYYHNAKLSA-O 514.969 5.382 50 10 KKGE O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103743141 ULODATVEGTZQHX-AIFPUMKXSA-N 545.639 5.437 50 10 KKGE Clc1ccc(CC(CBr)(CBr)c2ccc(Br)cc2)cc1Cl 118878484 NIMSUYJQFAQLFB-UHFFFAOYSA-N 515.898 7.026 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3ccc(C(C)C)cc3Br)CC2)c(Br)c1 150392419 ORBGVWVFIJWHCK-UHFFFAOYSA-N 710.464 5.017 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432981 OMEUQXLSDHBSML-SANMLTNESA-N 707.435 7.869 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433243 QHRMTDUQXHIBDU-UUWRZZSWSA-N 645.539 7.791 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 150498142 UHXXMBXKOFAFSJ-FIMPJCGCSA-N 632.746 5.147 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3cccc(NC(C)=O)c3)cc2)c2ccc(C)cc2)cc1Br 164601873 FHNFJDVNNJSAIN-FADJLKOXSA-N 663.594 6.274 50 10 KKGE COc1ccc(CCCNCCC[C@](CN=C=S)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 200029509 GJKATKXKJOCYAD-MUUNZHRXSA-N 500.705 5.720 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 205780138 AEWQKMFQQIPCFJ-CLCCEFQUSA-N 662.768 5.562 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](CC)C2 209407669 MHFAQBVPKBCSLQ-QFVADWCQSA-N 544.673 6.573 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C2=O)cc1OC 214372432 ZHIJJQBEBVCMAZ-GBRROFQCSA-N 705.837 5.812 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 214390365 SYVCWSITUQBRFO-MXAYSNPKSA-N 536.584 5.494 50 10 KKGE O=C(N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 253565367 HQOKBKLHLUVKMM-BQNXFWFHSA-N 527.599 7.122 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3)cc2OCC)cc1 254398940 AXAKXRVTEJLRFA-UHFFFAOYSA-N 518.610 5.746 50 10 KKGE CC(C)c1ccc(C=NNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 254446111 WZKJSXQVVMHEEE-UHFFFAOYSA-N 507.700 5.194 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc(O)cc1)CCC2 256018190 GNRWTNRJJBXBRZ-SZIQQBSTSA-N 507.550 6.432 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C(Br)Br)[C@@H]2Br 256019273 RKNYBCOHRMGSLV-OJHZGXPISA-N 960.076 9.661 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3csc(I)c3)c(Br)cc2N1 311934846 JHBWSAKGUCTIPK-ZDUSSCGKSA-N 512.992 5.094 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2cc(I)cc3c2OCC3)c1 312405887 WBSVPURKORHQSV-AWEZNQCLSA-N 619.860 6.078 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3cccc(I)c3)c(Br)cc2N1 380042507 NTGBVCTUSCPGKU-HNNXBMFYSA-N 506.963 5.033 50 10 KKGE Brc1cc(Br)cc([C@H]2CN(Cc3ccccc3)C[C@@H]2CI)c1 394657704 AWJYCXUVWDRPMN-MAUKXSAKSA-N 535.061 5.862 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CCCCC)CC[C@]4(C)[C@@H]3CC[C@@]12C 504743102 UYCWFCMOPJKMKJ-DEADEBNZSA-N 533.281 10.416 50 10 KKGE N=c1ccccn1/C=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 585660824 LAFIFOIPBKFEDO-DLGUDWHXSA-O 500.562 5.148 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@@H]1CCCCO1 642881643 OABDXHJQCAVVLW-BHVNMTKBSA-N 709.075 8.802 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2ccc(I)cc2)s1 688086916 PVSXFMPGDNMODK-GFCCVEGCSA-N 502.009 5.746 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1cc(Br)c(Br)s1 721593108 ILYBIRPHHLTBBG-JTQLQIEISA-N 571.297 6.968 50 10 KKGE CC1=CC(=O)O[C@H]2C[C@H]3O[C@H]4C[C@@H](C)[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)CC=C[C@H]9O[C@H]%10C[C@H]%11O[C@H](CC(=O)CCl)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@H]4C[C@]3(C)O[C@@H]12 936069609 LLWZTLRNRYPFBO-XKHOWMFBSA-N 917.530 5.525 50 10 KKGE in-vitro Cc1cc(C(C)(C)C)ccc1OCC(=O)NN=Cc1c(Br)cc(Br)c(O)c1Br 1082989119 SKTIMHIJMWJHDM-UHFFFAOYSA-N 577.111 5.815 50 10 KKGE CC(=NNC(=O)CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 1083907646 NKBTUPSMCIEUBA-UHFFFAOYSA-N 501.631 5.604 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(C/C=C\c2ccccc2)c2ccccc21 1084004744 FYEKPLSDGURXMI-BAKXHISASA-N 599.754 7.626 50 10 KKGE COc1ccc(/C=C\C(=NNC(=O)C(=O)NN=C(/C=C/c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1084247211 QQUIUQDSOPKNSX-ANUFDUEGSA-N 618.690 5.489 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1 1084291079 SIIHDJKOYUXCIM-QFIPXVFZSA-N 709.149 6.746 50 10 KKGE CC(=O)Nc1cccc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)c1 1084606630 CAERBENVJBUONK-UHFFFAOYSA-N 540.712 6.375 50 10 KKGE O=C(NN=Cc1cc(Br)c(N2CCOCC2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 1084630186 XYHUGCBIHBJAOZ-UHFFFAOYSA-N 595.497 6.767 50 10 KKGE O=C(CSC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccc(Cl)cc21 1088734443 BGKGMBSNGYAUHN-FCHUYYIVSA-N 502.987 5.150 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748752 TXFGPEMEPASBGD-UHFFFAOYSA-N 533.799 5.093 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865684910 BPQOZLDVYXXBHJ-QFIPXVFZSA-N 533.813 6.182 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687436 RINACZDYBHXZBD-PMERELPUSA-N 575.068 7.058 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865689410 RMCXZOMQPXNGPY-JOCHJYFZSA-N 523.807 6.482 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689635 UYMZDYOISIUTPG-QHCPKHFHSA-N 502.933 5.323 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865690667 YKHMTCOQJMHPCE-QHCPKHFHSA-N 518.495 5.697 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccn2)cc1OC 1865691993 GZBAUACBTCOQAN-QHCPKHFHSA-N 552.473 5.778 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865694049 OOWNODZMIBEQSO-NDEPHWFRSA-N 506.606 5.939 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865696523 GWFNSLBJZMKBPE-QHCPKHFHSA-N 523.431 5.245 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OC 1865697684 ZHXMFJREKGLEEP-DEOSSOPVSA-N 537.458 5.993 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697861 DBOXFAPWOABXHZ-XMMPIXPASA-N 512.953 5.191 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865702621 CCZYYNDKVCKHLN-VWLOTQADSA-N 512.997 6.208 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703839 GQLLAYDINXBPDU-SSEXGKCCSA-N 547.058 7.098 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1 1865707128 OPVCCGRFAGAIAK-HHHXNRCGSA-N 557.620 6.812 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccc(C)c(C)c2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866720405 KANJJMMVFNKKPZ-KYJUHHDHSA-N 555.700 6.052 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1cccnc1 1867083053 RVPCGGVRHGOEQH-SANMLTNESA-N 577.682 5.287 50 10 KKGE CSCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134470 OENAELDPDHYYOH-DQEYMECFSA-N 568.562 6.421 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN4CCc5c(F)cccc5[C@H]4C3)n2)cc1 1868527978 LKDNKXIGJLHOIC-MUUNZHRXSA-N 552.679 6.418 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)nc(O)c2cc1OC 1872727475 CXXNZYAVRZRPDE-OVCLIPMQSA-N 552.370 5.951 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1872747308 WVPWSYDOZUZINB-LNVKXUELSA-N 500.536 5.597 50 10 KKGE COc1cc(/C(O)=C(\C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c(Br)c(OC)c1OC 1872752225 SCRLWRWXFSCFSS-FXBPSFAMSA-N 515.429 6.672 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 1872758074 KDSMRHQKELWPEN-XDOYNYLZSA-N 518.551 5.213 50 10 KKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1C[C@@H]1Br 1910125387 BTYNRCOXSJNAFC-JHEQGTHGSA-N 510.915 5.860 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 1922888384 ZHWQAKWCKNTGBL-QGZVFWFLSA-N 531.107 7.645 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2sc(Br)c(C)c2Br)cc1Cl 1922897900 QPCZIUCSNULMMB-NSHDSACASA-N 507.900 7.634 50 10 KKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924591255 OUYIAUOIMNKSSP-IYSWYEEDSA-N 531.880 7.297 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2CC[C@@H]3C[C@H]23)c1Br 1924613969 MCASUPGJDXZYNF-KVPKETBZSA-N 507.911 6.908 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)s1 1939962428 LWPYAISEHNXMDI-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Cl[C@@H](c1ccoc1)c1c(Br)c(Br)cc(Br)c1Br 2025781569 HNFGWDOQXSMSCP-NSHDSACASA-N 508.229 6.658 50 10 KKGE Fc1ccc([C@H](Br)c2csc(Br)c2Br)c(F)c1Br 2032958767 LTPWIMVCUNIUMC-ZETCQYMHSA-N 525.832 6.798 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Cl)sc(Br)c1Cl 2050468513 XLNXYBGANPWCRP-MRVPVSSYSA-N 544.836 7.045 50 10 KKGE CC(C)(C)CC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496516 RQLPCDPIKIGMRG-VIFPVBQESA-N 526.332 7.843 50 10 KKGE FC(F)(F)C1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCC1 2116580071 NERBBFRSOCZWFK-SSDOTTSWSA-N 505.419 7.485 50 10 KKGE CC(C)[C@H](Br)c1cn(-c2cc(Br)c(Br)c(Br)c2)nn1 2121070604 PCFXRBDZVWHYRV-NSHDSACASA-N 516.857 5.647 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1ccc(Br)c(C)c1Br 2138853428 QMWVHTRHVHWEJX-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)c(Br)s1 2139004815 ZDQSLGVKFZRTSQ-NSHDSACASA-N 533.905 6.837 50 10 KKGE CC(C)(F)[C@](C)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470100 DUXFHXMYVAPXRE-ZYHUDNBSSA-N 592.736 7.649 50 10 KKGE O=C(c1cc(Br)cc(C(F)(F)F)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 2172409488 WFKXJLGSFCDKCP-GOSISDBHSA-N 505.172 6.284 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206406037 UNZHIRSXAOEJQR-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cc(Br)cs2)c(Cl)c1Cl 2217607551 FAYKPDSXPBRCDT-SECBINFHSA-N 514.291 7.718 50 10 KKGE COc1ccc([C@H](Br)c2cccc(I)c2)c(Br)c1Cl 2268266901 YAELCZHKMZNEHV-GFCCVEGCSA-N 516.398 6.200 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(I)c(Br)c2)c(Br)c1Cl 2283556834 AQZYOXZQLKVKJI-CYBMUJFWSA-N 550.843 6.806 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 2294168484 NRSFFWCCTBDVTL-UHFFFAOYSA-N 544.054 8.409 50 10 KKGE COc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2295489480 NSOBETPOFBTERX-UHFFFAOYSA-N 597.071 5.555 50 10 KKGE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)C(C)=C(C#N)C1=O 2295838625 WFGRTDCGAIYGHA-UHFFFAOYSA-N 542.639 6.511 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 2297458669 RJJSDZXBCKTZFF-HSZRJFAPSA-N 518.436 5.823 50 10 KKGE Cc1cc2nc(C(C#N)=Cc3ccc(OCC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)[nH]c2cc1C 2297576827 DTTKWHOPDGYDTE-UHFFFAOYSA-N 506.484 6.160 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@]23CCC[C@@H]2CC3)c1Br 2298694739 QMGRPTIVMOSXQI-AKGNYGMASA-N 507.911 7.052 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 2313676596 HWBXZYHWLQRJKN-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE Fc1cccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1Br 2314450315 XZAWQIHHDTVEDI-IBGZPJMESA-N 529.041 7.414 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2314478136 GOXPXVUHRSFOCF-UHFFFAOYSA-N 586.500 7.763 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592724 APHDCEZYZNWDHD-BVZFJXPGSA-N 566.510 6.696 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314592741 AYJAWTWMMQAORM-DEOSSOPVSA-N 548.462 5.200 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314617222 TYCOBEKKWKQFAI-UHFFFAOYSA-N 544.586 6.036 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634864 XMEBXTVTQYTKGD-LJAQVGFWSA-N 531.008 6.364 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 2314760715 YXDHHKSCLHKWKG-UHFFFAOYSA-N 553.409 5.265 50 10 KKGE BrC[C@@H](Cc1ccc(Br)cc1)Cc1sccc1I 2316669185 ZLLNNHNUAVHIGM-NSHDSACASA-N 500.037 5.912 50 10 KKGE BrCc1c(Br)cccc1Oc1cc(Br)cc(I)c1 2316849506 OXQCRWKJXMXQJV-UHFFFAOYSA-N 546.822 6.503 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@H](Br)c1c(Br)c(Br)nn1C 2338721436 YMRNDWREQCALML-VIFPVBQESA-N 536.287 6.154 50 10 KKGE Cc1cc(Br)cc([C@@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c1 2362226798 XAOOPLLBNAFMBZ-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2ccc(I)cc2)c1Br 2365184077 NMEZPTWOCFKXGU-CQSZACIVSA-N 530.425 6.461 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)c(Br)c1 2365219299 PWCGJUDHNIRWNV-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Brc1cc(CC[C@@H](Br)CN2CCCCCC2)ccc1I 2377315127 NTTJPQXZQDMLAL-CQSZACIVSA-N 515.071 5.626 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686356 UINZFYPLVMLVRA-AREMUKBSSA-N 514.990 6.418 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 38686358 UINZFYPLVMLVRA-SANMLTNESA-N 514.990 6.418 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 38686397 JBFATJXVXBBPDK-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc4ccccc34)c(C)c2cc1Cl 38688553 NRWAATZQSYQYSF-MUUNZHRXSA-N 520.972 7.294 50 10 KKGE CCOC(=O)c1cc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)ccc1Cl 50568365 MPRAVGPTHLFADU-AQTBWJFISA-N 500.942 5.475 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C)cc1 59335623 VPTWEBVMWYBUGG-XKZIYDEJSA-N 505.412 6.589 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 97994793 JVNCDSHVMVVWFY-JCMHNJIXSA-N 513.391 6.736 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)cc1 100235521 NXEZONZRXKYGEO-DVMDLWDRSA-N 573.459 5.929 50 10 KKGE COc1cc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 100319539 QQTHLTUWGNOHLT-UNOMPAQXSA-N 567.048 5.593 50 10 KKGE C[C@H]1CCc2nc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)sc2C1 100922133 KUTHFCPFJXOZNN-MLSKFCDMSA-N 555.174 5.892 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Br)cc3)nc3c(C)cccn3c2=O)cc1 101115359 AZEIPHRNQBDRKM-CYVLTUHYSA-N 573.403 5.280 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(Cl)cc3Cl)nc12 101115863 RDMSUHNOJVYLDK-GDNBJRDFSA-N 570.230 6.410 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244430 KUOGOAUYLQQELP-MZOFLMDJSA-N 556.009 6.986 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244723 GNQIWCXAQLERHE-HEQFHQOESA-N 538.456 6.457 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245738 BMZJXGCBGDJLJD-NNHPPCHPSA-N 552.483 6.766 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(C(C)C)cc2)C(=O)N1c1ccc(C(C)C)cc1 101246518 LSVLCNKKCUFYLS-DNWDVRSHSA-N 539.701 7.007 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 101338056 ZIDHEKOVHLVXOK-OVVQPSECSA-N 542.595 5.145 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 101339425 LNYWNFQRPSQSOG-FDAWAROLSA-N 556.666 6.675 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1F 101340228 GAYNFPCCWMSZSN-TWKHWXDSSA-N 604.682 6.701 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c(C)c1 101340741 KZCIQHXYPABTPS-OGLMXYFKSA-N 563.057 6.692 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccccc1 101367404 HXHOXIAMKUZPPD-JGCGQSQUSA-N 562.622 6.094 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)cc1OC 101368086 LQIWBUCYJVFYIU-NDEPHWFRSA-N 597.495 7.407 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(Br)ccc2OC)cc1 101369077 HLXYBFPQKXJKLN-YHAMSUFESA-N 549.421 5.611 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCC(C)C 101374221 NOOUDFGEATYLEZ-NDEPHWFRSA-N 569.441 6.239 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)cc1OCC 101374723 LNHZAYJKCNAYHC-HKBQPEDESA-N 577.077 6.819 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 101377043 HAEJWJDNIZEBCQ-NDEPHWFRSA-N 529.549 5.366 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388059 VYIZJAYINPEVHC-MGBGTMOVSA-N 609.122 8.053 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccccc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389862 LKBPJGKAZUXKID-YTTGMZPUSA-N 601.486 7.337 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1Cl 101394347 DYBTUBGLPROOMO-HSZRJFAPSA-N 578.279 7.916 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OCC)c2)CC1 101399993 RVQVOSWOFDEQMX-QJVZXWNLSA-N 598.715 7.924 50 10 KKGE C/C(=N/NC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 102832659 FIWLYZZUNWYWHN-UCMJSZAQSA-N 568.045 6.163 50 10 KKGE Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 103887311 PNEVPIWIDPPNFZ-JAIQZWGSSA-N 540.255 6.953 50 10 KKGE CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C/CCCCCCCC 111456309 BLQSPZHGZHJLGB-ZWCSTFODSA-N 639.446 12.755 50 10 KKGE FC(F)(F)c1cc([C@@H](Cl)c2cc(Br)c(Br)s2)ccc1Br 124625691 BWPCCURUKMMDIN-SNVBAGLBSA-N 513.398 7.383 50 10 KKGE Brc1cc([C@@H](Br)c2ccc(Br)c3ccccc23)sc1Br 128570673 HIJXZXXPCMMCQV-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411424 BFABMOATQOOCLV-ZCJZYUSGSA-N 716.819 7.188 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 150482313 AECFQNSSAOXGHP-UUWRZZSWSA-N 659.566 8.587 50 10 KKGE COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1[C@@H](N=C=O)c1cn(C)c2ccc(OC3CCCC3)cc12 166881829 UBJOMFIYLDAPGQ-SSEXGKCCSA-N 573.671 5.361 50 10 KKGE C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 195804016 PPFHNIVPOLWPCF-JRSUCEMESA-N 541.071 6.075 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 205664711 ZWDLCQWMPXERRN-SKMBUVNASA-N 548.570 6.250 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@H](C)O4)C2=O)cc1OC 214370245 MDJWYLLRFLZBBJ-ZZAQJSIPSA-N 600.675 5.715 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@H]2CO[C@@H](Cc3ccccc3)O[C@]21C 248155801 INXHCOIWXVXIHV-WVBWOMQXSA-N 542.792 7.358 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nc4ccccc4n3Cc3ccccc3)ccc21 254500338 KALCZMBGABKSKM-UHFFFAOYSA-N 517.658 6.455 50 10 KKGE COc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 254573793 YDFXTBWQRDOCEY-UHFFFAOYSA-N 664.803 7.193 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)ccc1OC(=O)c1ccc(F)cc1 254733737 ATVQZFZWBDQNSX-UHFFFAOYSA-N 595.630 7.700 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc(CCCC)cc3)cc2)cc1 254739509 KDLOIRLGLOGMRT-UHFFFAOYSA-N 502.611 5.956 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254870132 MWEZDTUHKXBWMF-UHFFFAOYSA-N 544.637 5.391 50 10 KKGE CCCCCCCCCCCCC/C=C\[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 256112897 WBCAJQRDYWOKNL-HMBRQPCISA-N 636.006 10.534 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 256170718 BLDLNBNHGVBWLB-QKDODKLFSA-N 623.903 6.902 50 10 KKGE Clc1cc(I)c(O[C@@H]2C[C@@H](Br)C23CCCCC3)c(I)c1 380605485 OEQVMZSDUFFNFG-CHWSQXEVSA-N 581.457 6.414 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2csc(I)c2)c(F)c1F 398523763 OEAZXDJVCFDQPA-VIFPVBQESA-N 511.926 6.017 50 10 KKGE Clc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 405095976 SFBHHDVDQZDIGA-JTQLQIEISA-N 545.256 8.043 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3CNC4=C3N3CCN=C3N=C4OCc3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 604970526 GZBWCAUZYLSAMH-OYUWMTPXSA-N 627.935 5.390 50 10 KKGE CC(C)N(C(C)C)P(OCCC#N)O[C@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](n2ccc(=NC(=O)c3ccccc3)nc2O)[C@@H]1O[Si](C)(C)C(C)(C)C 616588535 TZMFBGAEAJSVGT-FVMCTWGVSA-N 765.921 7.136 50 10 KKGE BrCC(CBr)(Cc1ccncc1Br)c1ccccc1Br 702866423 YFVNQXSBSPXWJD-UHFFFAOYSA-N 526.892 5.877 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(I)c2)cc1 725423818 BWVQUHPHRQIMTB-NDEPHWFRSA-N 687.372 7.149 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cccc(OCc2ccccc2)c1 1083895514 DGSAOKZFROIXFN-UHFFFAOYSA-N 568.265 6.473 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccc(Cl)cc1Cl 1083993200 POOGWFKTVGKJIC-UHFFFAOYSA-N 555.421 7.790 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Br)cc1 1084156944 PYGGTZSTRCIYJP-RGVLZGJSSA-N 570.281 6.962 50 10 KKGE Cc1cc(Br)ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2C)o1 1084342426 GYAVEXPTDMSUSS-PTNGSMBKSA-N 500.190 6.634 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)c(Br)c1O 1084384372 RRVWHOCGOIYHOY-UHFFFAOYSA-N 583.280 6.456 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 1084411580 XHCKYGZOUGTWJY-QGMBQPNBSA-N 617.237 6.216 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1Cl 1084437036 LJAVDPNCCMJYSM-UHFFFAOYSA-N 543.476 5.470 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(C3CCCCC3)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084453010 OCWACBXHRBMLGY-UHFFFAOYSA-N 516.594 5.549 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1OC 1084489181 VMDAHPHNCJMCMP-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CC1(C)[C@@H](C(=O)NN=C(c2ccc(Cl)cc2)c2ccc(OS(C)(=O)=O)cc2)[C@@H]1C=C(Cl)Cl 1088731801 SCBKOGSLWDPVPM-PKOBYXMFSA-N 515.846 5.138 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440681 XBIQPYOHWXHGHW-JSJYDDSHSA-N 572.947 9.442 50 10 KKGE CCCCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665465 KCEQSXCXMOAMQF-JKNNFEOHSA-N 561.335 10.908 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc(Br)c1O 1865687961 FBYHZWTVAXFNGC-QGZVFWFLSA-N 553.310 5.174 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688418 RMNNRJLOLDVNBJ-MUUNZHRXSA-N 575.496 6.649 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)cc1OCC 1865689784 WNOMVJLVSSOPNL-FQEVSTJZSA-N 502.468 5.105 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(C)cc1 1865693521 OTNWXBTXCURTEM-MHZLTWQESA-N 536.632 5.931 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(C)cc1 1865694072 UBVPJXSAXLWMOT-AREMUKBSSA-N 522.605 5.872 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865694300 WKJYSTXASGUKCE-SSEXGKCCSA-N 575.068 7.307 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)cc(Br)c1OC(C)C 1865696911 LIVGXVPOPUSPJU-JOCHJYFZSA-N 509.404 5.016 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700825 FHLRTPUUPXYHHO-XMMPIXPASA-N 528.996 5.496 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700834 FLBJSWVAUPIDEE-GOSISDBHSA-N 530.220 5.274 50 10 KKGE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700931 HVINRZPZKXRHLW-QGZVFWFLSA-N 536.611 5.283 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865702712 ZYJZCXCQHHPWAZ-MHZLTWQESA-N 558.057 6.464 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccccc2OCc2ccccc2Cl)C(C#N)=C(N)O3)cc1 1865703144 NZMBVZAIQRWCSM-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704715 CIRPSDZIRYRAMC-SANMLTNESA-N 541.007 5.924 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704842 FVQIBBOGPAIGMV-AREMUKBSSA-N 541.007 5.593 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713280 VPJRQKXMCJFRPQ-HSZRJFAPSA-N 513.395 5.837 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)sc(C(=O)OCCOc2ccccc2)c1C 1866129960 UVUPJRBPELFEMT-XMHGGMMESA-N 539.009 5.668 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCCc4cccc(F)c4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868415247 VHQFNLDHJAWOTM-UHFFFAOYSA-N 559.114 7.008 50 10 KKGE COCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccc(OC)c3)n2)C[C@@H]1C 1868506346 VNYSZYLXZPNJLY-PMACEKPBSA-N 504.660 5.014 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868565131 IQGFATLIRFKGPL-WJOKGBTCSA-N 542.668 7.016 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1F 1872752838 VNSPSTOJLPPUTG-CJJSWDBDSA-N 509.784 6.634 50 10 KKGE Clc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1924596360 NLKLEPYEFLNUSA-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Cl[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995047556 IHQYSAXWDOFBHM-JIXFULDZSA-N 561.131 6.800 50 10 KKGE Cc1cc(CCl)cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1Br 2034747709 AWVSRQSQBIESQM-UHFFFAOYSA-N 535.935 5.819 50 10 KKGE Cc1nc(Oc2c(I)cc(Cl)cc2I)sc1CCl 2046003407 YSHVOPCTYAVOAA-UHFFFAOYSA-N 525.964 5.845 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1c(Br)cccc1Br 2083334714 OTSLZVRPVRRWEQ-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE Brc1ccc([C@H](Br)CCc2ccc(Br)cc2Br)cc1 2113488932 JFYNOUXXZKGHOB-CQSZACIVSA-N 511.877 7.043 50 10 KKGE Cc1cc(F)ccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405202 HLEAXFCRZHHFAE-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE FC1(F)C[C@@H](c2sc(Br)c(Br)c2Br)[C@H](Br)C1 2212199452 CMTBYISUEQWIAX-QWWZWVQMSA-N 503.826 6.312 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1ccc(Cl)cc1Br 2225616470 OTKJDSWUGXHZFS-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)c(C)c1Br 2227353960 VLXIQCRONAMYLL-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE FC(F)C1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2232342591 WGCJQFRRTQOVKM-PACJAATDSA-N 590.720 7.464 50 10 KKGE Clc1cc(Br)c([C@@H](Br)Cc2ccc(Br)cc2)c(Cl)c1Cl 2232511433 KHAQFRGYUWVTJC-VIFPVBQESA-N 522.289 7.851 50 10 KKGE Fc1cc2c(cc1I)nc(CCCl)n2C[C@@H]1CC1(Br)Br 2233042885 YXBXPVHLZWRLQR-ZETCQYMHSA-N 536.408 5.067 50 10 KKGE COc1ccc([C@H](Br)c2ccc(C)c(I)c2)cc1I 2269547581 DIXNVDDNMVYVHW-OAHLLOKOSA-N 542.980 5.697 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1Br 2288346492 YQYGTAYCBQEZKY-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)Cc1ccccc1I 2288374468 TUEAZYNNEBKTBX-VIFPVBQESA-N 536.379 6.617 50 10 KKGE CCCOc1ccccc1C[C@H]1SC(=C(C#N)C(=O)Nc2ccc(C)cc2)N(c2ccc(C)c(C)c2)C1=O 2296053646 UNEXMRLLOUIPOF-MUUNZHRXSA-N 525.674 6.466 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2296645066 XDDNJRUVPUPULI-UHFFFAOYSA-N 656.493 5.564 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2296790184 VHFMVNKYPMPDHF-GOSISDBHSA-N 526.127 7.829 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 2297467462 QSZWTGWCNXTOAV-UHFFFAOYSA-N 523.680 6.851 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)C=Cc1ccccc1 2313530139 KANLIDAOHKYKKQ-UHFFFAOYSA-N 533.584 5.720 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 2313566998 ALRIYSUDGUEOBZ-UHFFFAOYSA-N 571.225 6.553 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 2313568895 YFYPCOWTZQLVOO-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE C#CCOc1c(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 2313571366 UPEBLMCMGGYDMP-UHFFFAOYSA-N 623.015 5.760 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1c(Br)cccc1Br 2314460379 NINUITQWJDFIBV-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591766 DLNOPHDKHKJLSZ-VWLOTQADSA-N 536.484 7.182 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592259 PCXWKXNTTRDNQJ-XMMPIXPASA-N 552.483 6.766 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592982 FLRDWYYOMNAACD-QFIPXVFZSA-N 561.969 5.703 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Br 2314610370 GTFALTAPDZMIIU-UHFFFAOYSA-N 579.454 6.103 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 2314616754 IZOWHDSZJPWRCZ-UHFFFAOYSA-N 526.640 6.565 50 10 KKGE C[C@H](NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 2324599152 GQLQUIVTHHMMCX-HHNYGXRFSA-N 508.710 5.522 50 10 KKGE FC(F)(F)[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 2327681730 MUFNMFORCJLLDA-RPDRRWSUSA-N 535.843 7.060 50 10 KKGE Cc1ccc2c(c1)nc(C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)n2C 2331019325 MOMSNQVHPDUPIP-UHFFFAOYSA-N 527.249 7.594 50 10 KKGE N#CC(=C(O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331231604 HKXAQCORUSLPRQ-UHFFFAOYSA-N 500.623 8.091 50 10 KKGE CC(C)(C)N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Br)cc4)cs3)cc2C1=O 2331259731 VAGKDBCGUSMVSX-UHFFFAOYSA-N 508.397 5.917 50 10 KKGE N#CC(=C(O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 2331301066 ROOUVDMAUBQKOW-UHFFFAOYSA-N 513.663 7.410 50 10 KKGE C[C@@H](c1ccccc1)N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1=O 2331358875 XRWFBFAWGCHSID-NZQKXSOJSA-N 507.615 7.005 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c1C 2331366482 YUIMDYZAGVFVGA-UHFFFAOYSA-N 516.579 5.821 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)c1 2331376782 VBOLCHYPSLBXMZ-UHFFFAOYSA-N 506.584 6.066 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)cc1OC 2331455898 WJOBOESKOISYNJ-UHFFFAOYSA-N 517.420 6.972 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1C[C@@H](Br)C12CCCC2 2341839642 WGEWANLJOUFXNV-KGLIPLIRSA-N 500.012 5.667 50 10 KKGE Fc1cccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360426810 OVIDJLTWQIPEQZ-LLVKDONJSA-N 509.797 7.281 50 10 KKGE N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3Cl)cc2[C@@H]1c1cccc(I)c1 3657101 UCCPRCPWWNDJIU-IHUOHLDMSA-N 527.749 5.619 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38680808 KHPGLYQAUGFTJI-NDEPHWFRSA-N 510.590 5.995 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)c(C)c3)ccc21 38682969 YDILEXMQVIBCDS-NDEPHWFRSA-N 518.997 6.030 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)cc1 38685319 BESWTBRPNUDQEZ-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 38685870 YNRKTEPLBOPYMT-AREMUKBSSA-N 504.970 5.558 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)c(C)c2c1 38688288 DUPSTFKOZNWRGR-VWLOTQADSA-N 519.384 7.048 50 10 KKGE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 39993124 OLLGUQYAQGTXBT-QGOAFFKASA-N 504.468 5.668 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)ccc1Cl 40811829 ASTHBPHAWRYPIU-ZXVVBBHZSA-N 515.791 6.002 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 100920314 QKVYPLRCRLEWED-GNOAMTAQSA-N 590.709 5.507 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)c1 101314530 DNNLYTSZISZSTQ-SANMLTNESA-N 523.372 5.761 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)C1=O 101333265 ZHFKWIOCEIPNNS-LFVJCYFKSA-N 512.585 5.860 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1Br 101333734 FTQDADACKMUTRG-CIAFOILYSA-N 531.410 5.311 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1 101362271 PJXFOCZZCXNEFO-NRFANRHFSA-N 560.475 5.764 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OC 101372435 JQRXDLWYPLUKHR-SSEXGKCCSA-N 563.050 6.510 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(OCc4ccccc4Cl)c3)oc2c1 101398429 KKQQDVWXZBSYAS-YTTGMZPUSA-N 591.063 8.028 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)ccc1OCc1ccccc1F 101399421 CECFGGNAMNMIEE-JGCGQSQUSA-N 590.607 7.214 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)ccc1OCc1ccc(F)cc1 101399995 UGIPLMWCTSHGNM-WJOKGBTCSA-N 601.030 6.903 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 101698230 MBIGXTHFHUHPKD-LTGZKZEYSA-N 573.989 6.083 50 10 KKGE CC(C)c1ccc2c(c1)/C(=N\NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)N2 103729385 CBSKTAPDOCAXQD-UHFFFAOYSA-N 525.672 6.642 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 103736283 AUGAMLJMOCRQMX-PPFNPFNJSA-N 560.691 7.256 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(=O)Nc4cc(C)cc(C)c4)c3C)sc3c2CCCC3)cc1 103793414 QKOILCUEHXNUDV-DPNNOFEESA-N 553.732 7.368 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc(-c2ccccc2)cc1 105620206 HJNDPXWJFBJWJU-UHFFFAOYSA-N 576.697 5.974 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(I)c1OCc1cccc2ccccc12 150642032 HPTLOEMGDFECHV-MTJSOVHGSA-N 653.860 7.529 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(I)c2)cc1 164624619 IOWMJKCMRXFUCS-JEPNHJGPSA-N 629.473 7.539 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)cc1 198742857 IANUBCWZDPLTRY-UXHLAJHPSA-N 564.019 5.133 50 10 KKGE C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 199255000 QJZFVYJIGWEKIR-JNJSJOKASA-N 919.761 9.476 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Nc4ccccc4)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 205143293 JDTKCDCRSRWMSD-BQOYKFDPSA-N 701.150 8.852 50 10 KKGE in-vitro COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)cc1 205781110 CXMPBBABWXNUIB-ACNNHMOPSA-N 710.812 6.352 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214299185 LSWFYQWREZTOEA-NHYZDEDTSA-N 622.725 7.290 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214305419 JPOAOIVMQFRHPI-COEJQBHMSA-N 566.702 6.434 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2=O)cc1 214399460 PLMQGRQHQXDXDM-CEUNXORHSA-N 528.612 5.691 50 10 KKGE Cc1ccc2nc(-c3ccc(OCC(=O)NN=Cc4ccc5ncccc5c4)cc3)nc(-c3ccccc3)c2c1 245266167 IZCKPIZMBYUDFG-UHFFFAOYSA-N 523.596 6.350 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254313141 NFVRYZAUBLQTEO-SHOPSCDPSA-N 544.124 7.014 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccc3c(c2)OCO3)cc1 254315932 GYRUEXVVEXSNKD-FYILRPDFSA-N 524.621 5.238 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1cc(-c2ccccn2)nc2ccccc12 254414571 LCCLKLWZWALUKL-UHFFFAOYSA-N 562.589 6.020 50 10 KKGE COc1cc(Br)c(OCC(=O)NN=Cc2c3ccccc3cc3ccccc23)c(Br)c1 254619268 MOUMEDQSODUSMT-UHFFFAOYSA-N 542.227 6.056 50 10 KKGE Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(/C=C/c1ccc([N+](=O)[O-])cc1)=NNC(=O)c1ccccc1O 254746652 GSPXWWXIQGNJID-QOOLOPEQSA-N 544.549 5.565 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)Cn3cnc4scc(-c5ccccc5)c4c3=O)cc2)cc1 254795661 WLHMFTZDQRXCAH-UHFFFAOYSA-N 508.603 5.163 50 10 KKGE COc1cc(C=NNC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3ccc4ccccc4c3)n2)cc(OC)c1OC 254848122 CRHUKCPGDBLGMB-UHFFFAOYSA-N 581.576 5.958 50 10 KKGE Cc1cc(C(=O)NN=Cc2c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=NNC(=O)c6cc(C)[nH]n6)c5c4O)c(O)c23)n[nH]1 254855528 XSEAKBXTEOXWKA-UHFFFAOYSA-N 762.824 6.348 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(N=Nc5ccccc5)cc4)c(C)c32)c1 256018215 RTJGUCUUVHSXCC-GXBQEJFZSA-N 505.578 7.035 50 10 KKGE COc1ccc2nc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@@H]3Br)C4(C)C)sc2c1 256020103 YBLJPLRQFPJISK-UYHISHBKSA-N 567.141 5.929 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cc(Cl)ccc2I)c(C)c1Br 380059911 UXXKUAVAJPHMFN-MRXNPFEDSA-N 528.453 7.117 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3[C@H](C)CCC=O)[C@@H]12 725238039 BRZCKJCXWDGCIO-BCCQJEITSA-N 659.040 8.805 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725440624 OQWQJXVNNXEUMN-UHFFFAOYSA-N 603.959 6.708 50 10 KKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c(C[C@H]4CC(c5ccc(Cl)cc5)=NO4)c(OC)c4c(c3OC)OCO4)c(-n3cccc3)c12 1081098364 SVMZYFZRAULRLP-QHCPKHFHSA-N 702.189 6.441 50 10 KKGE CCCC[C@H](C)Nc1cc(NC(C)=O)c(/N=N/c2nc(Cl)c(/C=C3\C(=O)N(CCCOC)C(=O)C(C#N)=C3C)s2)cc1OC 1082190594 BRAMXRXRYQRUAS-VGJGXVNZSA-N 642.182 6.798 50 10 KKGE O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1083847817 IVNPHNWSXIZDSA-UHFFFAOYSA-N 602.034 6.283 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 1084144775 SMODMCPHTMETNV-NTEUORMPSA-N 543.188 6.107 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1ccc(OCc2ccc(OC)cc2)o1 1084274130 JJKZQLHGYRIGTN-LJQANCHMSA-N 581.098 5.541 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084350503 RTCHCNWTIZANGT-FYJGNVAPSA-N 581.841 6.271 50 10 KKGE Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c1 1084418297 GWVWLDVQHYWRBS-JJIBRWJFSA-N 516.439 5.592 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2cc(Br)ccc2o1 1084498099 RZYFMCHOEQYSKQ-UHFFFAOYSA-N 533.132 5.890 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OCc1ccccc1Cl 1772754655 NLYRSEGTPZCORD-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2cc(Br)c(OC)c(OC)c2)c(Br)c1 1772755458 IKEIQRFTIFSLOO-UHFFFAOYSA-N 528.241 5.101 50 10 KKGE CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)N=[N+]=[N-] 1776009975 KQJXHZRKNUECLZ-FORKRHJDSA-N 601.902 6.130 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(OC)c(O)c2)C(C#N)=C(N)O3)cc1 1865682019 DDWQJPSDNQMEPI-SANMLTNESA-N 508.578 5.156 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 1865687557 UUQNCQVWRCEJRG-XMMPIXPASA-N 548.521 5.705 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1c(OC)ccc3ccccc13)C(C#N)=C(N)O2 1865688463 SIDNQEHRQVOHLS-XMMPIXPASA-N 515.411 5.967 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865692573 CPODBDFOZFXEJV-RUZDIDTESA-N 562.548 6.096 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865695672 GGJBQUDWEAYLLD-QFIPXVFZSA-N 515.367 5.234 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700920 HSDWCQUQRUSETP-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(F)c2)ccc1OCc1ccccc1C 1865703243 QZGDJPCQZZWYNU-LJAQVGFWSA-N 538.623 6.137 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703300 STEJZSPVOYEFBP-PMERELPUSA-N 575.068 7.307 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)cc1 1865704389 UTDLEAFRMNMUTF-HXUWFJFHSA-N 502.924 6.008 50 10 KKGE CCC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867222791 YZBYYKRLZDOXQF-RPBOFIJWSA-N 535.641 5.862 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CCO2)cc1 1868544312 CARKFLLHSVQNBC-GDLZYMKVSA-N 549.744 7.898 50 10 KKGE Cc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n1)[C@H]2CC(C)C 1868564654 CWTKCCUTGOCXLB-MHZLTWQESA-N 506.679 7.314 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872793909 ZWWSHIXKILDIFF-SSDVNMTOSA-N 521.469 8.386 50 10 KKGE C[C@@H]1OCC[C@H]1C[C@H](Br)c1c(Br)sc(Br)c1Br 2019621328 ARNWUNQPNAWGTO-ACZMJKKPSA-N 511.899 6.287 50 10 KKGE BrCC(CBr)(Cc1c(Br)cccc1Br)C1CCC1 2033091264 OSEDKAIEGYOTAU-UHFFFAOYSA-N 503.898 6.330 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2C[C@@H]2C1 2085492384 KPJVNSDHTQMZJI-PDPXDMDKSA-N 522.300 7.063 50 10 KKGE Cc1nc(C[C@@H](Br)c2ccc(Br)cc2I)sc1C 2086149560 PHXDKXBZUCEACR-LLVKDONJSA-N 501.025 5.806 50 10 KKGE FC(F)(C1CCOCC1)[C@H](Br)c1c(Br)sc(Br)c1Br 2128896591 UPVFYMUQEOJGAC-MRVPVSSYSA-N 547.879 6.534 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c(F)c1Cl 2136966201 HLWKNQMLVNQUIP-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE Cc1cc([C@@H](Cl)c2ccc(Br)c(C)c2Br)ccc1I 2142104100 SHILJADAECSRJF-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE CC12CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(C1)C1(CCC1)O2 2157465663 OIWIVQHXVMLWHF-UHEGKEBESA-N 505.497 6.807 50 10 KKGE CC1(C)CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CBr 2185818369 YPTCVJXJOIDDRG-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE Clc1ccc(Br)c(CO[C@H](CI)c2ccc(Br)cc2)c1 2200750460 IGZIVJQPUZXODU-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1Cl 2201610936 LNSBABVVUQFYFA-LLVKDONJSA-N 601.248 7.232 50 10 KKGE Fc1ccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206397001 DANHAZXGNFCJSR-SECBINFHSA-N 594.736 7.554 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)Cc2ccccc2I)c1Br 2206398534 WAYCYQUCCHKEPW-QMMMGPOBSA-N 702.642 8.020 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1cc(Br)ccc1I 2206567292 KLNVFWFHQPNXME-AWEZNQCLSA-N 574.876 6.618 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(F)cc(Br)c2)c(C)c1Br 2235607054 FEJOKSNMFIJBDY-HNNXBMFYSA-N 529.867 7.214 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3scc(Br)c3Cl)cc(Br)c2O1 2279292131 JLGWVGOPBIODJN-KGFZYKRKSA-N 501.465 6.734 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293701497 LZSUDMPUMVBSTN-UHFFFAOYSA-N 515.639 5.741 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2295360298 XIIMGMACZIDDMZ-UHFFFAOYSA-N 537.834 7.113 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 2296500400 OZKVWOKFZZDUSL-UHFFFAOYSA-N 551.451 8.013 50 10 KKGE Cl[C@@H](c1ccc(I)cc1)c1ccc(OCc2ccccc2)cc1Br 2299523431 UDKBKHHSNDKIAT-FQEVSTJZSA-N 513.600 6.961 50 10 KKGE COC(=O)C1=C(C)C(C(C)=CC#N)=S=C1N=Cc1ccc(C=Nc2sc(C(C)=CC#N)c(C)c2C(=O)OC)cc1 2313517453 RDGOEDVBMMITKZ-UHFFFAOYSA-N 570.696 5.948 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Br)cc1 2313518100 IFGMCPUWQFRCKY-UHFFFAOYSA-N 570.281 7.043 50 10 KKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313521274 BWZKZLKGLDCSJZ-UHFFFAOYSA-N 550.223 7.640 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2313630891 HGSDQKAUNXDMNQ-UHFFFAOYSA-N 515.780 6.810 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C1 2314476123 JDHIFVYHWAXWEX-PSWAGMNNSA-N 557.720 5.125 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2314488719 OMDWGLVVUXXVPQ-UHFFFAOYSA-N 533.012 7.487 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 2314610203 DXYGFTYVUFHIPN-UHFFFAOYSA-N 524.690 6.680 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1OC 2314616833 KQNZYTLEQKCOPW-UHFFFAOYSA-N 500.639 6.535 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(C)=C(C#N)C1=O 2314620950 WXNCRXUWKQNCFN-UHFFFAOYSA-N 607.066 5.927 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 2314646523 AEWQKMFQQIPCFJ-LJAQVGFWSA-N 662.768 5.562 50 10 KKGE Clc1ccc([C@H](Br)Cc2ccc(Br)cc2)c(I)c1 2317769994 BGFNFEKSUSNNDB-CYBMUJFWSA-N 500.399 6.386 50 10 KKGE CCCCOC(=O)c1ccccc1NC=C(C#N)C(=O)Nc1ccc(I)cc1C 2318462003 BIFUIQOVXBLOFW-UHFFFAOYSA-N 503.340 5.015 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 2331353951 QZTORYOLUVGTLU-UHFFFAOYSA-N 503.668 6.771 50 10 KKGE FC(F)(F)C12CC([C@H](Cl)c3c(Br)sc(Br)c3Br)(CO1)C2 2363909116 VUYSWVJCYVFLFK-STOUBEHRSA-N 519.402 6.427 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(F)cc(Br)c(F)c1Br 2364051666 RHKXOJVOVRQXEY-MRVPVSSYSA-N 558.240 6.077 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2c(Cl)cc(F)cc2Cl)c1Br 2366407703 XECFFBUPMUIJDG-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1csc(Br)c1Br 2380942862 ABQKNZQLCXTVOR-CYBMUJFWSA-N 545.960 7.952 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Br)c2csc(Br)c2Br)c1 2381257765 IVZMBXQKMNJESW-NSHDSACASA-N 547.932 7.091 50 10 KKGE COc1cc(C(=O)OC(=O)CC[C@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)cc(OC)c1OC 8427374 KHUBONOYDWHKJY-CJCWZHAASA-N 586.766 5.803 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 29492418 SZEWYRCUORRRCD-CALWQIHWSA-N 571.706 6.627 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(=O)n(-c2ccccc2)n1C 29503155 UNVCJDJOCXMPKG-SLMZUGIISA-N 661.788 5.448 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 29503162 VJKJVJJQRZSVHK-OFWBYEQRSA-N 586.739 5.751 50 10 KKGE Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)cc2)cc1 33380623 PGDUOJRNIFVBJE-OOAXWGSJSA-N 516.645 6.783 50 10 KKGE N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 35519805 ZSQMEYIGPQTUOK-STZFKDTASA-N 505.555 5.998 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657808 WGDHZWWZPNBYHJ-PMERELPUSA-N 504.586 6.846 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1 38685964 YECLEOHMALZVLX-PMERELPUSA-N 502.570 6.041 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38688589 NZCKENCHZDRMSG-HHHXNRCGSA-N 506.558 6.360 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 58892658 UIWYWLOVWKCDLS-XMJXUFPISA-N 501.410 5.935 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(Cl)c1Cl 58989676 UFGBEDKZQDKPJV-LQKURTRISA-N 510.450 5.602 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 59304028 KXHRRKPNWJPSMP-FMFFXOCNSA-N 516.601 6.322 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(F)c1 59335621 WTSQWYTUATUSLU-NDENLUEZSA-N 509.375 6.420 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 100452254 BAYZBTOHAFBAIH-NJUOBVAOSA-N 576.318 7.027 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccccc2s1 100883551 PXBMCXMWMFNCFT-MOHJPFBDSA-N 545.067 8.446 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CC[C@@H](CC)C2 101193845 GQQHAGMSADBGGY-XYGUXCPDSA-N 543.472 7.552 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246774 OWOAUUKWRUPDNB-NNHPPCHPSA-N 567.589 6.178 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101334719 PEDVGULUMXDZRL-OCSSWDANSA-N 560.629 6.506 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 101334932 DGLXOJPVBVPZNM-VUTHCHCSSA-N 542.639 6.429 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1Cl 101363847 NEABLVZVLAIZRK-JOCHJYFZSA-N 560.231 6.592 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379767 MWFVRVZILQQSNY-HKBQPEDESA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380653 XJOBCJQNEJICTK-PMERELPUSA-N 601.428 6.370 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381089 YOYVHTNIAVYNQG-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397617 TVDWHAGPAPZVBA-MUUNZHRXSA-N 599.495 8.224 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)sc2c1CCCC2 102935341 JXHFOMUBWYVIMS-KLYOSYPGSA-N 578.134 6.309 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccccc1 103123897 FDQXXZGHNVGFBG-PXFLCDOESA-N 583.476 5.804 50 10 KKGE CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 103649692 RUALARPDTKAMNO-JWGURIENSA-N 542.532 8.326 50 10 KKGE COc1ccc2cc([C@H](C)C(=O)N/N=C/c3c(SC)sc(SC)c3/C=N/NC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)ccc2c1 150357538 MEUVMYLFGUPQHN-HABVFXKXSA-N 684.909 8.023 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(I)cc1 150423312 PFHKQTVSISIVFQ-XZJBEKIMSA-N 684.312 5.837 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 150461994 ODDSRRLAVNHYKF-LJAQVGFWSA-N 663.966 8.886 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150463279 KMVLGHBKJNUWDZ-WJOKGBTCSA-N 706.376 8.836 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1Cl 150463502 LQMQKGMDTKYQSR-MGBGTMOVSA-N 659.566 8.506 50 10 KKGE O=C1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1C(c1ccccc1)c1ccccc1 163339515 SDNQCXKQSYEZQB-OLZFPDKCSA-N 673.429 7.382 50 10 KKGE CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1 164019421 ODOYUIPZMZWNAB-FMFFXOCNSA-N 644.779 6.874 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccccc2)c(OC)c1 206688176 YPSGAVDUGRBZRG-IEGHJNSASA-N 578.621 6.108 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCCC1 253574013 SBSNOCQHTYUUFR-AACHKTFOSA-N 583.766 5.192 50 10 KKGE CCCCN(CCCC)C[C@H](C(C)=NNC(=O)Cc1ccccc1)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 254383824 MNQLFXZDYAYTFH-LXANVCGNSA-N 581.757 6.884 50 10 KKGE CCCCCCCCOc1ccc(-c2cc(C(=O)NN=Cc3c4ccccc4cc4ccccc34)[nH]n2)cc1 254752089 LBDQGHUPHQRLQX-UHFFFAOYSA-N 518.661 7.886 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@H]4Br)C5(C)C)n3)CC[C@@]1(C)C(=O)[C@@H]2Br 256018946 BHPXNFZMYXKFNV-ZJUYWPPISA-N 623.386 5.276 50 10 KKGE Clc1cc([C@H](Br)c2sccc2I)c(Cl)c(Cl)c1Cl 405041153 YNSWHXWWKXIKRG-ZETCQYMHSA-N 516.840 7.451 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 575449081 QIYOHWZXNNZRCM-DKQOGILZSA-N 612.839 5.466 50 10 KKGE CCn1cc([C@@H](Br)c2cc(Br)sc2Br)nc1Br 698498906 WHWSXUIRZVVSCC-QMMMGPOBSA-N 507.871 5.736 50 10 KKGE Fc1cc([C@@H](Br)c2cccc(F)c2I)c(F)cc1Br 721692448 PLUJNVHXWUSTEZ-LBPRGKRZSA-N 505.897 5.955 50 10 KKGE O=C([C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)N1CCC(N2CCCCC2)CC1 725238953 ZMAPSUGRICEIKG-HSZRJFAPSA-N 528.040 5.557 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 725447073 ZDYAHNTYFGWBOH-UHFFFAOYSA-N 546.668 5.504 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1c(Cl)cccc1Cl 1083927126 HWWZXGGADCNXMP-UHFFFAOYSA-N 524.857 5.031 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 1083975699 KVPHLZZPDDVDRM-UHFFFAOYSA-N 536.028 5.947 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1F 1083985399 RWYPCCRLZKJMEI-UHFFFAOYSA-N 622.538 8.426 50 10 KKGE COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)cc1Cl 1083995683 FVWIRXQELYMYEU-SXGWCWSVSA-N 522.215 7.433 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 1084010539 XISBYQVBBSNHFL-UHFFFAOYSA-N 606.814 9.092 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084026534 VAQVKCVBBNWCFS-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)cc1 1084176492 HCKHKMFQFYWRFP-VWLOTQADSA-N 570.871 5.916 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 1084190968 DFFCFDYXXFALPB-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCc1ccccc1 1084239060 JJMQCWQUURWAIK-LPYMAVHISA-N 552.412 6.431 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084297452 AMGWGFSGBPSVGP-UHFFFAOYSA-N 579.520 5.511 50 10 KKGE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1084310519 SYFKVUJDYSFBCW-UHFFFAOYSA-N 511.582 5.252 50 10 KKGE O=C(NN=Cc1ccc2cccnc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084441353 LZUJLCXHOJKOBB-UHFFFAOYSA-N 517.245 5.424 50 10 KKGE O=C(O)c1ccc(COc2ccc(Br)cc2C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1 1084488107 ZNPPBZIQRRDKRI-UHFFFAOYSA-N 572.209 5.999 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1 1084646409 KHMHHZOZGOBNDW-UHFFFAOYSA-N 660.677 6.291 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1C 1084647602 VDOYNBFUUAWUGN-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCCC(C)C 1772755109 NREPEKZEZMNHSO-UHFFFAOYSA-N 597.000 7.292 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2)ccc1OCc1ccc(C)cc1 1865688046 HMVRMTLXSSPRSI-MUUNZHRXSA-N 506.606 5.939 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865689587 TXCATJLTILMCNN-VWLOTQADSA-N 512.997 6.208 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689883 FUDOWQMZUIZYLK-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691501 UIIFWRKZLYGQAG-SANMLTNESA-N 541.479 6.733 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)c1 1865693264 IQHYHRYBWJETLA-NDEPHWFRSA-N 520.633 6.231 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699631 YUQUDENVWCKKBN-SANMLTNESA-N 522.008 5.970 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccccc1OCc1ccccc1Cl 1865702946 JACYJWYIVAJVKO-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1865712396 XKDDKKDNFAQOFX-AREMUKBSSA-N 560.576 6.688 50 10 KKGE CC[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866948993 IQEKXBQBCMJIOV-LOSJGSFVSA-N 524.111 6.464 50 10 KKGE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867142083 YGUWOMPQVSDTAV-LADGPHEKSA-N 508.043 5.977 50 10 KKGE CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867142673 GPAUNMALEPAVLB-UIOOFZCWSA-N 550.522 6.858 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)nc(Cc3ccccc3)n2)cc1 1868207086 FSVCVIYWHCJXSC-HHHXNRCGSA-N 547.728 7.193 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3c3cccc(Cl)c3)nc(Cc3ccccc3)n2)cc1 1868208297 ZBYBZJPGQOCDGG-MGBGTMOVSA-N 560.126 8.190 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433351 JDTKDEZOJKPLDQ-HXUWFJFHSA-N 528.037 6.836 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3cccnc3)n2)cc1 1868566349 XREWLAXILJAWHM-OAQYLSRUSA-N 542.690 5.546 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)n1 1872793079 HJMITTUHDGYNKZ-PXLXIMEGSA-N 515.078 8.413 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCCc1ccccc1 1872794074 JCXZASUFAMHLQM-HYARGMPZSA-N 517.050 7.475 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)cc3)n2)cc1Cl 1872794641 NRIVIGQNRCDFTG-SRZZPIQSSA-N 507.442 8.077 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cscc1Br 1899862595 MYUQRRPDVLZMAR-GOSISDBHSA-N 517.080 7.336 50 10 KKGE CC(C)[C@@H](CBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(O)c1 1915297719 KLOQMIBOYXVDGI-QGZVFWFLSA-N 502.190 5.059 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]3CO2)c1Br 1924571824 UUPNATGPXXFZCZ-FZGKIIIMSA-N 509.883 5.897 50 10 KKGE Cc1sc([C@H](Br)c2csc(Br)c2Br)c(C)c1Br 1945190472 NPYMJAHBYNATKL-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE Cc1ccc([C@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=C(C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 2053612278 COYBCJHHDGOMHJ-PMERELPUSA-N 617.657 5.983 50 10 KKGE CC1(CC[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085492516 MSEDEZNHCKOIHN-SECBINFHSA-N 524.316 7.597 50 10 KKGE FC1(F)CCCCC[C@@H]1[C@H](Cl)c1c(Br)sc(Br)c1Br 2108667916 ZLIFSGKJWQXRCR-MUWHJKNJSA-N 501.456 7.531 50 10 KKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)c(CBr)c1)C(C)(C)C 2123370487 QGFFSBBZNVACKC-OAHLLOKOSA-N 503.300 5.970 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1cc(I)ccc1F 2137638951 BMOQKVVDHXHNQZ-CQSZACIVSA-N 518.389 6.639 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2I)c(Cl)c1Cl 2203431405 CICXCKOYSINAAH-LBPRGKRZSA-N 550.843 6.853 50 10 KKGE COC[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394526 HQUJIQXFPCPPIJ-WGZSSWNPSA-N 554.342 7.079 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)cc1Br 2207260650 HGPXLOAXAFKASF-CQSZACIVSA-N 578.839 6.448 50 10 KKGE C[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)O1 2214321524 AITRVSMUAAUDPZ-GKROBHDKSA-N 511.899 6.429 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2cc(C)ccc2I)s1 2224051962 BEUIPGMYRZRTHM-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Cl)c1c(Br)cccc1Br 2225635928 XYXVKGLDVDQMEE-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(Br)c2Br)c(C)c1Br 2227362599 OVOBISWRAQIRIO-NSHDSACASA-N 596.802 7.899 50 10 KKGE Clc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1I 2277954437 FBWMRPXIZUBFOV-ZDUSSCGKSA-N 534.844 6.992 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc3sc(Br)cc3s2)c1C 2278029355 MOGSSYLYWWKBOK-LBPRGKRZSA-N 501.128 7.650 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1ccc2scnc2c1 2278611517 RDQPDVDHSAVAFP-VIFPVBQESA-N 502.478 7.021 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293198474 XFURYMABJNNPLQ-GOSISDBHSA-N 526.239 5.745 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=CC(Br)=Cc3ccccc3)s2)cc1 2293752388 GNYWZFHQFFXXJE-UHFFFAOYSA-N 519.515 5.769 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)N(c3ccccc3)C2=O)cc1Cl 2296506972 NSTROAFVLGCRHE-HSZRJFAPSA-N 542.875 7.020 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 2297455635 XPXRPDBMJKTGEX-UHFFFAOYSA-N 509.522 5.744 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 2297556153 IDFZWVWVMLJNHT-UHFFFAOYSA-N 557.444 7.134 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1 2313519016 QBLYQJBEXNTVGQ-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE C=CCOc1c(Br)cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Br 2313545875 LZFQMAVJCQGPGA-UHFFFAOYSA-N 531.248 5.032 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571316 SDCUICIJMGREIE-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cn1nc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Br)c1Cl 2314453160 UCCGPMWUBIKPJM-OAHLLOKOSA-N 549.488 6.662 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592309 QMADYMPVTHJQFD-RUZDIDTESA-N 562.489 6.221 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314618191 IVOQVVGZPZPGNY-BIJUYVHXSA-N 522.649 5.111 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314751227 XLCMBWJPTIGEJR-OAQYLSRUSA-N 536.584 5.975 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)NN=Cc1cccc(OCc2cccc(Cl)c2)c1 2321697750 ZZJAWWKKXNCDAF-UHFFFAOYSA-N 520.029 5.511 50 10 KKGE CCCCCCCCCOc1ccc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1OC 2331046564 UJOZPHAVOTVSCM-UHFFFAOYSA-N 503.599 6.324 50 10 KKGE Fc1cc(Cl)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1F 2336054879 VTSCDLHNCPNAHR-LJQANCHMSA-N 502.580 7.444 50 10 KKGE C[C@@H]1CCC[C@](CBr)(OCc2cc(I)ccc2Br)C1 2341857780 WINIFDVQMFDSTF-ABAIWWIYSA-N 502.028 5.914 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Br)cc2Cl)c1Br 2362220290 IDBMRESXLJILOK-LLVKDONJSA-N 570.703 7.904 50 10 KKGE COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)c1OCc1ccc(Br)cc1 3255727 LNWCLVTUFDIDKI-HYARGMPZSA-N 505.412 6.508 50 10 KKGE O=C(Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)NNC(=S)Nc1cccc(C(F)(F)F)c1 12961250 SKJTXAPXVHFEGF-UHFFFAOYSA-N 571.934 6.277 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(OCCOc2ccccc2)c1 14040906 KRVGRGNLTOZTID-UHFFFAOYSA-N 503.382 5.071 50 10 KKGE COCCN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)C(C)(C)CCl 16461955 XCFRWTCCFHCHJN-UHFFFAOYSA-N 520.089 5.077 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)OCC)cc1 33491240 WIROGOBSMLYPKK-HKWRFOASSA-N 519.579 6.143 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 35419470 GWCJPYWLOGXDOJ-CKVBZJJFSA-N 512.393 6.197 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1 38608479 QBERFOZAFGRYBP-CVKSISIWSA-N 527.020 6.419 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38650842 TWPJKAVZLTYWFL-PMERELPUSA-N 526.633 6.366 50 10 KKGE CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 38681916 DTNSUDQBCCRZKV-DEOSSOPVSA-N 505.914 5.474 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 38688715 HPSCYCIUZWTSAX-MUUNZHRXSA-N 524.573 6.203 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 38700626 ZCQLYVGQRRPFAB-MUUNZHRXSA-N 522.557 6.060 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40924801 KIAUPONFECTDIX-IPPBACCNSA-N 517.079 6.709 50 10 KKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 59116894 QQFHXWVYSBUXQN-BOPFTXTBSA-N 502.195 6.881 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1OCc1ccc(C(=O)O)cc1 59146705 OCWACBXHRBMLGY-FDAWAROLSA-N 516.594 5.549 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2Br)c(Br)c1 100288068 LUUAMHBJIUESIJ-OAHLLOKOSA-N 564.274 5.484 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 101244270 LYWXLHRKKPHYAK-SNFXUIRRSA-N 584.063 7.279 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245907 ALQWYSMMLGRKSM-BUPOLARFSA-N 509.675 6.746 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 101334954 BHWTZIMGIUAXJP-TWKHWXDSSA-N 542.639 6.511 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101335057 FYVWNZUQAUSSNP-FDAWAROLSA-N 556.666 6.675 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1F 101338597 QPBQYEJKQDRHMH-YZSQISJMSA-N 538.623 6.392 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 101368808 FJGWJTZAQLJIOW-XMMPIXPASA-N 541.785 5.314 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OCC 101373970 GXGLLIYIQMXIMP-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)cc1OCC 101374764 YTILZOKWFHWJJM-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1 101378008 OJARVZJRYGJQDU-JGCGQSQUSA-N 540.660 6.855 50 10 KKGE CC(C)COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380897 FRTVUDJZFLPBIH-JGCGQSQUSA-N 564.613 6.877 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383179 FHVDVFRQASWKHS-SSEXGKCCSA-N 556.977 6.261 50 10 KKGE C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383337 GGAZQKUBCGZWRX-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385712 AXKDBNNRCYTDMT-YTTGMZPUSA-N 583.040 6.439 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386398 JRHVMGIQIQGOGT-MGBGTMOVSA-N 597.067 6.693 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OCC 101394268 OWBJOIUDXYBDGJ-MUUNZHRXSA-N 538.600 6.593 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OCC 101395695 NDEQUFAPXMBIQM-PMERELPUSA-N 625.549 8.187 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 101398445 SEFDYDCJYNAXTL-GDLZYMKVSA-N 573.432 7.018 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2cc(Br)ccc2o1 103881199 HUOHMGIBVFUXQG-ORBVJSQLSA-N 606.654 6.683 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cccc(I)c1 109836469 ZBUACZGTOXMVFM-ZDUSSCGKSA-N 516.398 6.200 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)sc2Br)c(Br)c1 109870042 DPIYGRVAIARCQL-JTQLQIEISA-N 507.842 6.659 50 10 KKGE CC(C)(C)c1cc(Br)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3ccccc3)c1O2 117092373 CPSYTSJURNDPON-UHFFFAOYSA-N 585.566 9.234 50 10 KKGE CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118921103 MYCARRQNTBVVPF-QNTQNTNTSA-N 521.295 9.920 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 150477298 WECWWMAQJSTJOU-LZYBPNLTSA-N 730.094 6.691 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497424 MOUCWQJLWAOUOM-KCSSXMTESA-N 645.546 8.218 50 10 KKGE Cl[C@@H]1C[C@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155256748 RURHTVYUFCHLKL-NEPJUHHUSA-N 614.430 5.819 50 10 KKGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)ccc12 196092286 VLGQRMASAAPPOT-OYDRPWODSA-N 889.042 8.459 50 10 KKGE in-vitro N#CC1=C(c2ccccc2)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 205777162 NARVFQPPLYRDHA-KEBVBBACSA-N 684.749 6.174 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214290710 WNXFOYRKNYJYFD-ONUIUJJFSA-N 524.621 5.264 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 214292841 ZMYXYCCLOLRFFT-PKAZHMFMSA-N 524.621 5.264 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214420727 VSLLOIHOCRVUEV-BRPDVVIDSA-N 566.658 5.654 50 10 KKGE COC(=O)c1cc(C)c(NC(=O)c2cc(N3CCC[C@@H](CO[Si](C)(C)C(C)(C)C)C3)ccc2C)c(C)c1 216497271 HTYRGKAHTWHATB-HSZRJFAPSA-N 524.778 6.889 50 10 KKGE Cc1cccc(NCCCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2N(C2CCCCC2)C2CCCCC2)c1 253563102 FBEPKDDXYZLLIB-YRRMYEEHSA-N 554.783 7.303 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1ccccc1F 254391515 GWBPPANORMXRPY-KRWDZBQOSA-N 509.010 5.303 50 10 KKGE C/C(C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)=C\c1ccccc1 254493175 QDTWKBDACSDOAS-IEKDDQBSSA-N 528.703 5.932 50 10 KKGE O=C(N[C@@H](CBr)C1CCCCC1)c1cc(I)ccc1Br 386249875 KYSVXFPZQVLYQZ-AWEZNQCLSA-N 515.027 5.127 50 10 KKGE C[C@@H](CBr)[C@@H]1CCCCN1C(=O)c1ccc(I)c(Br)c1 721623850 VPHLYMYYGTWUGN-HZMBPMFUSA-N 515.027 5.079 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3[C@H](C)CC[C@H](O)C(C)C)[C@@H]12 725237942 ACGBOECNYDQJMR-GQKGYSMYSA-N 703.137 9.623 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccccc1 725390818 YZQRNWCBDUPKHJ-UHFFFAOYSA-N 515.407 6.224 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)cc1 725401934 HJPQTWFTGSJJLT-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C(C#N)=C[C@@](C)(COC(=O)n5ccnc5C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 888105643 JMFBCWYDSWWPHB-HBNAQYPQSA-N 587.805 7.657 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)(C(C)C)C(C)C 1083817458 FAGFLKDXAVYVFV-AFTJIJFZSA-N 672.973 7.366 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)c1 1083952812 GFNGLZRGOGYVTO-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 1084000445 BMNCBJXQNAKIEB-QFIPXVFZSA-N 578.834 5.496 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 1084053382 DUQLEIBSEWCUKE-DEOSSOPVSA-N 603.413 5.141 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 1084335186 FCUAEFJDDQYEKJ-YZSQISJMSA-N 537.457 7.764 50 10 KKGE Cc1cccc(COc2c(Br)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2I)c1 1084365515 YSLPSUWNTPERMT-HSZRJFAPSA-N 607.286 5.905 50 10 KKGE O=C(O)c1ccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 1084436965 HUMAQGJOAMIQJV-UHFFFAOYSA-N 619.209 5.841 50 10 KKGE O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccc(C(F)(F)F)c1 1084514063 KHKBTYXQYBTWQP-UHFFFAOYSA-N 554.528 7.502 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=C(c1ccccc1)c1cccs1 1084562706 ZYKUSBJYZAKXAV-GOSISDBHSA-N 537.114 5.841 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(-c3cccc(C(=O)O)c3)o2)c([N+](=O)[O-])c1 1565517528 JWRJOZSTYWEVPK-UHFFFAOYSA-N 521.570 5.796 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@H](Br)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538093 RHVUWCOPIAXOFJ-GDKDILBMSA-N 565.746 10.076 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)COc3ccc4cc(Br)ccc4c3)cc2OC)cc1OC 1772720811 YUHLPEUHXFEAAM-UHFFFAOYSA-N 593.430 5.376 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)c(OC)c1 1772752183 XEONYZPODJYLQE-UHFFFAOYSA-N 529.593 5.620 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1cccc(Br)c1 1772755063 KDERLBNMZDAIKD-UHFFFAOYSA-N 681.859 7.819 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NC=O)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 1848436888 RPFLCNLQRHCCAK-HUBRGWSESA-N 638.047 7.095 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686708 ZQFKNKWXIKHVRM-QHCPKHFHSA-N 537.834 6.785 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865686825 BSOMVLCLCLKUAZ-NDEPHWFRSA-N 524.596 5.829 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)ccc1OCc1ccc(C)cc1 1865688660 YBSFJWBTPHNGCA-MUUNZHRXSA-N 536.632 6.083 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865688884 DGJWWYORCABYCX-AREMUKBSSA-N 527.024 6.267 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865694976 HBUPAGXAQJPKTG-AREMUKBSSA-N 560.576 6.373 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695101 JYXUZZJFUYYPBC-MHZLTWQESA-N 511.025 6.584 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698360 QXQRRJVGMPIYRJ-RUZDIDTESA-N 559.464 6.364 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c1OC 1865700752 CSRFRTKPOUOBAX-HSZRJFAPSA-N 533.415 6.141 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 1865701015 JSFCDVLQSACRFK-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701192 ORYBKXKMHCCEPD-GDLZYMKVSA-N 555.078 6.652 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865702675 YZTPVIOEZYXIFF-SANMLTNESA-N 544.486 6.970 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705822 GROFKUAGWNEHIF-INIZCTEOSA-N 510.259 5.383 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1 1865707313 TXDKUHRHRXUYAD-MHZLTWQESA-N 505.622 5.823 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712368 WOVOVNKQHTVFIF-GDLZYMKVSA-N 510.597 6.396 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(Br)cc1 1865714304 GUMAJPCCMQYYOP-NRFANRHFSA-N 503.787 6.173 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866737387 UWZVQNVWEJJOGS-SVBPBHIXSA-N 573.740 5.972 50 10 KKGE CC[C@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867144197 QPLVZKIJODEQEH-ZEQRLZLVSA-N 522.468 6.078 50 10 KKGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1867196111 MWOHNKDETBFJFO-VWLOTQADSA-N 561.461 6.024 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)nc(-c3ccccc3)n2)cc1 1868364646 CCVXOCKPXQZVRP-WJOKGBTCSA-N 539.708 8.197 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4cc(C)ccc4[C@H]3CC(C)C)n2)c1 1868504957 BGTWAGJAEOMNOC-GDLZYMKVSA-N 535.717 7.927 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)cc1C(C)C 1872751607 PILXYHWOBPRIHT-OHYPFYFLSA-N 510.659 7.865 50 10 KKGE CC(C)(C)c1ccc(C(=O)NC/C(O)=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 1872753927 VAWCQYOPCLOXCT-RFBIWTDZSA-N 509.631 7.123 50 10 KKGE CCCCc1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OC)cc4OC)cs3)CC2=O)cc1 1872755383 KZPSFFQOGOADSD-DASRABTFSA-N 503.624 6.016 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)\c2ccccc2)cc1 1873940873 LMVNFWWNQLUYIM-LFZPJOOBSA-N 500.623 8.395 50 10 KKGE Clc1ccc(CN(Cc2ccccc2)C2(CBr)CCC2)c(I)c1 1901951078 ZPLGKTLOLAXGJY-UHFFFAOYSA-N 504.637 6.264 50 10 KKGE Fc1cccc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1I 1924614303 XJAWCWBKUYZXSU-MRVPVSSYSA-N 589.287 7.108 50 10 KKGE Brc1cccnc1C[C@@H](Br)c1cc(Br)c(Br)s1 1924906575 JHDPSPDWOUNJOL-SSDOTTSWSA-N 504.867 6.109 50 10 KKGE COc1cscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1950315909 OEMUGHGXVHFFPY-SSDOTTSWSA-N 525.907 6.590 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2085495070 PBYSUYWROJUOLW-GFCCVEGCSA-N 582.775 7.591 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2(C3CC3)CC2)c1Br 2085501457 ZYWJNVJZZGJKLU-GFCCVEGCSA-N 566.751 7.363 50 10 KKGE CC(C)C[C@@H]1C[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467945 FGCIPQXDDPIXOL-RGNHYFCHSA-N 582.794 7.855 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCC3(CC3)C2)c1Br 2141475180 JWDBVKMHWJGQLW-WRWORJQWSA-N 580.778 7.753 50 10 KKGE Cn1cc(Br)c(CC(CBr)(CBr)c2cccc(Br)c2)n1 2143635216 RODLEEKAPMEAKJ-UHFFFAOYSA-N 529.896 5.215 50 10 KKGE FC1(F)[C@@H]2[C@@H]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)CC[C@H]21 2206396437 WQQRLGJRSVACDQ-TWPWXFPMSA-N 602.731 7.464 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1F 2206398626 XELXZIIFOKXBET-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Brc1ccc([C@@H](Br)c2ccc([C@@H]3CCOC3)s2)c(I)c1 2240425089 WKRRJEKUJKSWMV-RFAUZJTJSA-N 528.047 6.103 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(C)ccc2I)c(Br)c1 2241002767 XCWSHUIUBHGHNP-INIZCTEOSA-N 510.007 6.245 50 10 KKGE Brc1cc(Br)cc(C[C@@H](Br)c2csc(I)c2)c1 2252836146 YLSFGXPVIQPYBT-LLVKDONJSA-N 550.879 6.556 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2263513395 NNBJFBAOZLVLOE-NSHDSACASA-N 517.906 7.023 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1cccc(Br)c1Br 2278097928 ZWYMURBAALAEII-CYBMUJFWSA-N 501.490 7.579 50 10 KKGE COc1ccc([C@H](Br)c2cccc(C)c2I)c(Br)c1Cl 2283564237 WQAMGDZDUMADAW-LBPRGKRZSA-N 530.425 6.508 50 10 KKGE CCOC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2293198475 XFURYMABJNNPLQ-SFHVURJKSA-N 526.239 5.745 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1=C[C@H](O)[C@]1(O)CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)C=C[C@H](C)C(C)C 2295157423 XDBLYTWRNMYVCA-DLJZYHSSSA-N 544.937 8.836 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CN(c3cccc(Br)c3)S(=O)(=O)c3ccccc3)cc2)cc1OC 2297672236 URKZQZIVKMAADH-UHFFFAOYSA-N 652.523 5.031 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1sc(Cl)cc1I 2300953975 QPUIJRJDZLFMQC-SNVBAGLBSA-N 512.940 6.078 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3cccc4ccccc34)c(OC)c2)cc1 2313511256 WMXVRUSRWAFWJK-UHFFFAOYSA-N 590.417 6.586 50 10 KKGE COc1cc(C=C(C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518677 OCTXVVOYJVEKCK-UHFFFAOYSA-N 550.223 7.558 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)NN=C1C(=O)N(CC=Cc2ccccc2)c2ccccc21 2313649577 ZGXZAKJYAUMRMW-UHFFFAOYSA-N 514.629 5.269 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314617074 QFKJJARZYFPXPB-UHFFFAOYSA-N 550.728 7.356 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314617910 CYERJNPPAKUTKY-UHFFFAOYSA-N 539.389 5.687 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314618442 NQNXYRDDEILACP-GGAORHGYSA-N 540.623 6.216 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 2314618932 WYXDBEGYTCIMSQ-NRFANRHFSA-N 529.556 5.801 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1OCC 2314634717 CRFHDNCOSYKFGG-PMERELPUSA-N 579.480 7.408 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](Br)[C@H](Br)c1ccccc1 2314717030 HUVFLYLOFZETGG-DNQXCXABSA-N 575.684 7.218 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)c3ccc(Cl)cc3)cc2OC)ccc1OCCC(C)C 2314790163 ADJDEVGOCKUKDT-UHFFFAOYSA-N 532.036 7.465 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 2316724159 IQTZVLWFAYAAAJ-VIFPVBQESA-N 522.260 5.798 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1sccc1I 2316756145 AZCFFKSLVMCQGZ-UHFFFAOYSA-N 522.427 6.196 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OCc1ccc(C)cc1 2331463670 ZCDJFYJZUMZEDG-UHFFFAOYSA-N 524.686 8.211 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1scc(Br)c1Br 2335372644 YSHZSFRJCFRIEB-SNVBAGLBSA-N 532.281 7.810 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccccc1OCc1ccccc1 2339652308 YAMFDKNJIXODGH-IBGZPJMESA-N 543.068 7.722 50 10 KKGE Cc1cccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360425253 ARXUVJNFFYVWAU-LLVKDONJSA-N 552.834 7.292 50 10 KKGE Cc1ccc(C2=NN(c3ccc(C=NNC(=O)c4ccccc4[N+](=O)[O-])cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 8424563 XSQSMPFLAWOBLI-LJAQVGFWSA-N 538.007 6.676 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 8456032 SZZBJQZWLYDWBU-IZZNHLLZSA-N 515.610 6.042 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)N4CCOCC4)c3C)sc3c2CCCC3)cc1 59249945 HKDHAQOBNKTMNJ-HAVVHWLPSA-N 528.678 5.361 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1 59335622 NJSHBXAXJZERQQ-NDENLUEZSA-N 509.375 6.420 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 59485107 POCPEEMMSYZTGV-YBFXNURJSA-N 511.803 6.544 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 100075511 MHLXKWCUWWKDOV-UHFFFAOYSA-N 613.331 5.746 50 10 KKGE COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(Br)cc1OCc1ccc(Br)cc1 100328587 QULMGGJYJVNRIU-AMVVHIIESA-N 599.279 5.877 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)c4ccco4)s3)o2)cc1 100919885 HJHBENMMEROLKR-HAVVHWLPSA-N 549.608 7.465 50 10 KKGE O=C/C(=C\Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2cc(Cl)ccc2o1 101112669 AKUONWPJZJAOJX-WYMLVPIESA-N 532.803 5.696 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c1 101336519 VWZAKYZMLGYVPK-OGLMXYFKSA-N 529.600 5.516 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101336593 CYERJNPPAKUTKY-ZVHZXABRSA-N 539.389 5.687 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1F 101340473 JUXGGCXTASTVGG-JVWAILMASA-N 564.592 6.399 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 101341643 GTXCTUKJTXEVBI-UXHLAJHPSA-N 596.684 5.055 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369504 VTRTWSUMJCITOB-MHZLTWQESA-N 539.931 6.478 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384114 KPQZPHCUXRSFMR-PXEIPDDRSA-N 552.989 6.895 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101390704 MVYGGXCLZVHDNM-DEOSSOPVSA-N 551.451 7.434 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 101399082 MJLCYPLUMXSECO-MGBGTMOVSA-N 600.671 7.691 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 101727623 DBKUDLBEAKLARZ-XODNFHPESA-N 572.937 7.047 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 102859202 WKUQNSMPCFDIIY-ONUIUJJFSA-N 501.995 6.096 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103742775 CXACFSBTFJDBCV-WBSLIQCRSA-N 585.171 7.711 50 10 KKGE COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 103796349 HKZFNBVTUBTRGM-OCSSWDANSA-N 546.421 5.531 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 103882835 NPUSMAPZWGYSEL-OVVQPSECSA-N 552.472 6.437 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)c1 104034325 BPHFTINOECDHMN-ZDUSSCGKSA-N 501.813 6.598 50 10 KKGE CCOC(=O)COc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1OC 104800079 LXLYPTUABXBBBT-NDENLUEZSA-N 538.581 6.084 50 10 KKGE Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)nc2ccccc21 105425935 HRFDXXCPXNXFOD-NCELDCMTSA-N 525.587 7.208 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)oc12 110927048 BJQQVWVHUCGGGC-HAVVHWLPSA-N 570.609 5.638 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)sc1Br 115161551 MRNZSFNQUCQMEZ-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 150474235 BGXLITHRSQJIOA-FQEVSTJZSA-N 626.751 8.454 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150486338 FKHMUYHYSNOZQU-VWLOTQADSA-N 775.683 10.051 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497408 PDJCETWWRAKYMN-VTNSRFBWSA-N 663.536 8.357 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724489 FTRFFKXXDNVYPZ-MXVPUGLGSA-N 878.936 6.067 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1ccc(-c2sc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 195844730 DGJQFECSJNZUFT-UHFFFAOYSA-N 702.122 11.432 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)cc1 206436104 ZWGHDBGOUJDOIM-IDBNGTKSSA-N 525.561 5.203 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1C 206692317 RYZWTKWNWHCVMK-OVTCYPRGSA-N 548.595 6.018 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 214339240 JLBRGCKUBNFURO-BGQFGOBASA-N 558.707 7.395 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1F 214346827 LSIYRSQKHTYLGE-USHMODERSA-N 560.629 6.302 50 10 KKGE CCc1ccc(CC)c([C@@H](Br)c2cc(Br)ccc2I)c1 234175333 RCNIGOVYNLMBLK-QGZVFWFLSA-N 508.035 6.663 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1cc(Br)sc1Br 235822949 FMVCSEBXOXPMHN-VIFPVBQESA-N 509.908 6.890 50 10 KKGE Cc1nn(-c2ccccc2)c2sc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc12 252591171 AYHJJNZHKYWRNR-UHFFFAOYSA-N 502.603 6.012 50 10 KKGE CC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N\c2ccccc2SSc2ccccc2/N=c2/sc(C(C)=O)nn2-c2ccc(Cl)cc2)s1 253567095 JRYAJNWXVGLXIP-QUTRQNJUSA-N 721.742 9.157 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]21 306146140 BPGJURCSNNEWPC-SKEIHPSUSA-N 665.117 10.165 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2I)[C@@H](CBr)C1 382703231 DKMKRUSUKVOAID-GWCFXTLKSA-N 545.053 5.399 50 10 KKGE Fc1cc2c(cc1Br)nc(CCCl)n2CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705616571 KMPRTPKPBUYAIW-UHFFFAOYSA-N 542.880 6.191 50 10 KKGE O=C(N[C@H]1CCCc2ccccc21)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237426 GVBBWSQNXGYUTD-NZQKXSOJSA-N 506.977 6.274 50 10 KKGE CO[C@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083818411 QCJSYZSJARHGIB-RKGCBODKSA-N 620.903 8.306 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)C=C(Sc1ccccc1)Sc1ccccc1 1083953799 YSSLBNAFAFJCPH-UHFFFAOYSA-N 505.068 6.710 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 1084067780 SUZPOOHDSQNNDU-DEOSSOPVSA-N 511.416 5.391 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084193156 KIKSCKNGIPCGFY-UHFFFAOYSA-N 725.876 7.651 50 10 KKGE COc1cccc(C=NNC(=O)c2cccc(I)c2)c1OCc1ccccc1Cl 1084297409 HOKQENGUQXIDBP-UHFFFAOYSA-N 520.754 5.296 50 10 KKGE Cc1ccccc1-n1c(C)cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C 1084346296 APLRQQFIDIIAIF-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084371233 RVHGYPSWKRLANJ-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(Br)cc1 1084420407 WBDFBZNLCKSTDQ-UHFFFAOYSA-N 612.318 7.428 50 10 KKGE CCOc1ccc(NC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084504044 QHQTTWMPUZUNNB-UHFFFAOYSA-N 569.731 7.149 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](C)Br)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565537960 CZPMLPQARRFNQN-PKPBJTLKSA-N 537.692 9.728 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2ccc(C(F)(F)F)cc2F)C1 1614622367 AOPUKADZNIHWFG-RHSMWYFYSA-N 507.265 5.632 50 10 KKGE C/C(=N/NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(C)C)C(=O)NCc1ccc(C)cc1 1615526604 QZJMDLVMTUQKFX-ADSCJQDDSA-N 554.691 5.303 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749626 NPWGYTQUMSLJHW-UHFFFAOYSA-N 520.800 6.036 50 10 KKGE CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1 1865682383 NGGHIYDTOTWFII-SFHVURJKSA-N 517.349 6.169 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865687174 LCCGENNFVQXSJI-HHHXNRCGSA-N 568.555 6.850 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)c1 1865689669 CFLHFSYSSLXGTL-MHZLTWQESA-N 506.606 5.841 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690341 OWORPWYNINVQMD-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2cccc3ccccc23)cc1OCC 1865690824 BYLRJMRYDKPKIJ-PMERELPUSA-N 536.676 7.164 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695657 FSCJGYVEMNVKSB-RUZDIDTESA-N 527.452 6.673 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700905 HKDOUHHVETWIIA-LJAQVGFWSA-N 573.524 7.605 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc(Br)ccc1F 1865701944 JCWOEKSJTKTJPO-INIZCTEOSA-N 545.693 5.862 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865703982 KCNPGEWZPWPXLY-MUUNZHRXSA-N 561.469 6.661 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707669 CMAJMUKWQBZIQV-XMMPIXPASA-N 514.969 5.437 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866731667 BKKLCSBXBBSZAJ-VMPREFPWSA-N 543.689 5.989 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1OC 1866993652 CICBLGHYDARPRL-UIOOFZCWSA-N 503.624 5.513 50 10 KKGE CC[C@@](C)(NC(=O)C[C@@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867134217 LVRRVWKYIYMCNS-RPLLCQBOSA-N 536.495 6.468 50 10 KKGE Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867190494 BEKQHJATWCIEOY-RUZDIDTESA-N 586.695 5.551 50 10 KKGE COc1cc2c(cc1OC)[C@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)CC2 1868206990 BJLHWYRVOFEWFY-YTTGMZPUSA-N 551.716 7.161 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)n2)cc1 1868320270 GMYCEPUJMXOKMK-QHCPKHFHSA-N 555.729 6.459 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccccc3[C@H]2c2cccc(F)c2)n1 1868342309 RDXBLADSVPWTHW-MUUNZHRXSA-N 509.654 7.382 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H](c2ccc(F)cc2)O1 1868413568 AXANWIOXGASONQ-AVRWGWEMSA-N 532.044 7.219 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCc1ccc(C)cc1 1872792315 RNMKIMCLXZNJCZ-YDZHTSKRSA-N 500.595 7.308 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924593268 DBIYCEFLVQGXMO-VIFPVBQESA-N 582.775 7.591 50 10 KKGE Brc1csc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1Br 1924614146 WSZCOMBCYGUJNV-YFKPBYRVSA-N 653.673 8.106 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2I)sc1Br 2026221147 JNCIYTATGOFLJV-JTQLQIEISA-N 571.297 7.015 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2054662005 XAIQBZNFPUNWMQ-WYSGJSNJSA-N 769.972 6.801 50 10 KKGE Cc1cc(C)cc([C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N(C)[S@@](=O)C(C)(C)C)c1 2080762777 INELIXLRNPBNLZ-PJTQZDKOSA-N 513.687 6.545 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cccc(F)c2I)c1C 2082883585 GVQRRGZHYHMXIF-NSHDSACASA-N 504.000 6.355 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CC2(CC2)CO1 2141471961 YGDMYIMNGIANGV-PELKAZGASA-N 538.299 6.586 50 10 KKGE Cl[C@@H](c1ccccc1I)c1c(Br)c(Br)cc(Br)c1Br 2141477847 UMVUPJQRNRIAFV-ZDUSSCGKSA-N 644.164 7.669 50 10 KKGE Oc1nc2cc([C@@H](Cl)c3csc(Br)c3Br)c(Br)cc2[nH]1 2150344326 IJWUYBFEMPEQHC-SNVBAGLBSA-N 501.425 5.946 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2c(Cl)cccc2Br)c1Br 2169461142 HWSQUBOEKNAWNA-JTQLQIEISA-N 513.398 7.430 50 10 KKGE FC1(F)C2(CC2)C12CC([C@@H](Cl)c1c(Br)sc(Br)c1Br)C2 2183920454 PPSJAFBBKGQPMA-BNGRIMLMSA-N 511.451 7.141 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cc3sccc3s2)c1Br 2206399316 FQOGEWAXNIOUJH-ZDUSSCGKSA-N 624.837 8.497 50 10 KKGE COc1cc(F)c([C@H](Br)c2ccc(Br)cc2I)c(F)c1 2207270421 BCVMIPMRYBGJRZ-CQSZACIVSA-N 517.933 5.825 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)c(Cl)s1 2218598838 XCRXZNPRGILPRV-JTQLQIEISA-N 542.287 7.312 50 10 KKGE Clc1cc(Br)c([C@H](Br)Cc2ccccc2Br)c(Cl)c1Cl 2232517674 VJOFYASONRFVKR-SECBINFHSA-N 522.289 7.851 50 10 KKGE C[C@H](CBr)N(Cc1ccccc1)C(=O)Cc1cc(Br)cc(Br)c1 2245969833 WSJKLNYJEFXHQB-CYBMUJFWSA-N 504.060 5.566 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccoc1Br 2260073684 OPCUWMZHXFCODQ-QMMMGPOBSA-N 509.764 6.330 50 10 KKGE Cc1ccc([C@@H](Cl)Cc2cc(Br)cc(Br)c2)cc1I 2277959320 RCLOBRGOLFZJJL-AWEZNQCLSA-N 514.426 6.647 50 10 KKGE Clc1cc([C@H](Cl)c2cc3sc(Br)cc3s2)ccc1I 2278095647 DKYBEVXDZCGUCZ-ZDUSSCGKSA-N 504.039 7.312 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCCC[C@@H]2CC3)c1Br 2288987780 BZTVKUOJFYCLLG-YIUPMNOESA-N 594.805 8.143 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 2296506879 JONJLTJNRGECMC-RUZDIDTESA-N 550.511 7.401 50 10 KKGE Cc1ccccc1C[C@@H]1SC(=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccccc2)C1=O 2296637528 RAZDODOUPLDNHQ-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296790039 KNLOCORNTCJCHA-NRFANRHFSA-N 519.736 7.793 50 10 KKGE CCCCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2297456689 TXIXXGZNOVQFEN-UHFFFAOYSA-N 519.579 6.298 50 10 KKGE CC(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)=Cc1ccccc1 2297458878 AKQIQWSAQZDFJQ-UHFFFAOYSA-N 502.043 6.194 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cnsc2Br)c1Br 2300283508 UHJGATLHJONXPR-JTQLQIEISA-N 504.867 6.223 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 2313568806 XJGRWEDJESPXDO-UHFFFAOYSA-N 542.348 5.872 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(F)cc1 2313571089 NDQSWAVCEZOBBX-UHFFFAOYSA-N 519.787 7.309 50 10 KKGE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 2314534157 ZRUARTSYDFYEET-UHFFFAOYSA-N 504.468 5.668 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1F 2314617985 FDILIANBUCSWSG-UHFFFAOYSA-N 556.638 5.875 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)cc1 2314634185 XUQHWHRXIJFSSX-HHHXNRCGSA-N 521.400 6.619 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)n1C 2315626989 IEZBZAMXUWTVJY-JTQLQIEISA-N 501.842 5.500 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CBr)(OCc2c(Br)cccc2Br)C1 2318173543 YCTMTIYNSFWRBO-GOSISDBHSA-N 542.106 5.893 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)COc3ccc(OC)cc3C(C)(C)C)n2)c1 2331376548 QXAZDSHZKBVQLA-UHFFFAOYSA-N 508.640 6.785 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cc(I)sn1)CCCO2 2343589276 VADYRVKKDXPKOT-CYBMUJFWSA-N 515.008 5.320 50 10 KKGE COc1ccc(C[C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)c1 2364264016 SGSOERHXZHNWLD-SECBINFHSA-N 523.899 7.220 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccccc1 35519987 HKRDXXQBQQSKCD-UYRXBGFRSA-N 512.591 5.070 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38684681 ITNNRDDGZXBRFW-WHLCRQNOSA-N 516.569 5.842 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Cl)c(Cl)c3)c(C)c2cc1C 38688328 KOJUYDCOPSXXEW-RUZDIDTESA-N 519.384 7.102 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)cc1OC 40890483 QHBVISLIAYNWMF-YIMZSSQVSA-N 520.626 5.713 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 58893889 YBFWDZQVVIDDCY-PCYMAAINSA-N 519.400 6.074 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC(=O)O 59304423 SKNUBXCDLUJQCP-OKCVXOCRSA-N 517.969 5.342 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 100227031 OXDOALVLGZCVBA-PVEGLGLCSA-N 603.413 5.141 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241147 AYJAWTWMMQAORM-FYAMCCBRSA-N 548.462 5.200 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243911 VWNKCIRAEPEIQL-FFPXFJIJSA-N 532.065 6.042 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC 101339370 FMFWRCUVSJZCOI-MFKUBSTISA-N 556.590 5.265 50 10 KKGE CC(=O)OCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101341369 UTLMTEMXAJMBDV-ZCTHSVRISA-N 604.638 5.803 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 101374564 IIHIOIKUDHYJJQ-KKLLTKOTSA-N 580.725 7.789 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 101375581 NKMHKWATWWMDIW-XIFFEERXSA-N 570.686 6.809 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379386 MIINAMPNEOYUMM-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385638 IVKOLQMEIZSJKC-KZLCEWNNSA-N 599.470 7.418 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)ccc1OCc1ccc(F)cc1 101387280 RDRLPSKJCLMARQ-XIFFEERXSA-N 580.612 6.233 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101388798 GOHPROPVBOJZNW-XIFFEERXSA-N 592.667 7.538 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)oc2ccc(Br)cc12 101390937 VYPXEZWMMSNGFX-SSEXGKCCSA-N 607.460 7.520 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1OCC 101394183 DXJFTWUEHIMHSN-XMMPIXPASA-N 615.922 8.096 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(Cl)cc1 101727299 DFMDRTHQEKNJIE-VFLNYLIXSA-N 558.512 6.947 50 10 KKGE CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 102934574 PETORJVFJSDVGL-LDADJPATSA-N 516.535 5.614 50 10 KKGE C/C(N)=C(/C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CCC2 103127932 SIYSFOMLMVHKJF-ALPURWLGSA-N 506.389 5.901 50 10 KKGE COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)C(C)(C)C)s2)ccc1OCc1ccc(Cl)cc1Cl 105622452 UJPPZYFEXAWIJP-KKMKTNMSSA-N 550.468 5.110 50 10 KKGE CCCCCCN(CCCCCC)c1ccc(/C=C2/C(=C(C#N)C#N)c3ccccc3S2(O)O)c(C)c1 111484794 PKTFYZSGZNKQIM-OFWBYEQRSA-N 517.739 8.927 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(Br)c(OCc3ccc4c(c3)OCO4)c(I)c2)cc1 150428866 CAHFABOPZMFAAI-HOKMHICDSA-N 681.321 5.724 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 150463897 CLEFZUVCBFIIGP-NKCUHTBRSA-N 676.795 5.952 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@@](C(Br)Br)([C@H]5Br)C6(C)C)cccc34)CC[C@@]1(C(Br)Br)[C@@H]2Br 150481476 RCRTTZNKYHHGPD-FTGAJWPCSA-N 932.022 10.088 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1Cl 150484662 JGIOXRHEQLUMBP-SSEXGKCCSA-N 635.475 7.556 50 10 KKGE Br[C@H]1C[C@@H](Oc2c(I)cc(I)cc2I)C12CCCC2 155253258 OEPUJWMPMQIGOR-NWDGAFQWSA-N 658.881 5.975 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 205775839 QAZCLLCKCUQPKA-UVKUDMKVSA-N 618.715 5.163 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1 206546001 ITDSUVNXNPKETE-RNLRLKOUSA-N 522.557 5.585 50 10 KKGE Fc1cccc(F)c1C[C@H](Br)c1cc(Br)ccc1I 236188548 ARAVMQJINNAEMN-NSHDSACASA-N 501.934 6.011 50 10 KKGE CC(=NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1)c1ccc(NC(=O)c2ccoc2C)cc1 252626342 RATPNAAJTFGMRZ-UHFFFAOYSA-N 526.376 6.473 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C2CCC2)[nH]1 253564406 GMAXTZXWJJXVDY-FMFFXOCNSA-N 632.839 5.256 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(C)cc3)ccc21 254679869 RIPPMFOSEBJEHW-UHFFFAOYSA-N 600.792 7.910 50 10 KKGE O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 254817238 XNWWXMMTTFMTSA-UHFFFAOYSA-N 500.605 5.461 50 10 KKGE O=C(/C=C\c1nc2ccccc2s1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254876579 AFRMDGMTRQDNPA-GYTKNODKSA-N 509.509 5.939 50 10 KKGE CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(OC)C[C@H](C)C(=NOC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 256001225 SGGANCFJEHZNCI-AOCAVPIMSA-N 979.452 7.344 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(I)ccc2F)C1 382734172 WBGKFTJGRVSKJZ-RHSMWYFYSA-N 518.164 5.177 50 10 KKGE CO[C@H]([C@H](O)CC(=O)[C@@H](C)[C@H](O)CC[C@@H](C)[C@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)[C@H](OC(=O)CCC1=C(C)C(=O)OC1=O)C(C)C 575133008 AMFQLUYJIGWDCU-VRZNFQRJSA-N 750.967 5.815 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N1CCC(CCCBr)CC1 721617063 VKMQHEZJUQVBIT-UHFFFAOYSA-N 515.027 5.081 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 725420944 QPAMQIFSNFYDDO-UHFFFAOYSA-N 653.466 6.085 50 10 KKGE CC1=CC(=O)O[C@H]2C[C@H]3O[C@H]4C[C@@H](C)[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)CC=C[C@H]9O[C@H]%10C[C@H]%11O[C@H](CC(=O)CCl)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@@H]4C[C@]3(C)O[C@H]12 936069608 LLWZTLRNRYPFBO-WVDIGXKKSA-N 917.530 5.525 50 10 KKGE in-vitro CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 1083897031 LMUVPIBZPJWFLP-XMMPIXPASA-N 575.887 6.053 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1 1084008167 MLRCCVBCBGVUMX-UHFFFAOYSA-N 520.032 7.449 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1084125180 ZOTWSQKMRQDOEH-HYARGMPZSA-N 521.842 7.264 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084217828 RSECZMPWEOYBIS-UHFFFAOYSA-N 657.929 7.419 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084287809 VPYQGBAUCXVEKH-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 1084316345 FEFZMZOUZMRRAX-WENCSYSZSA-N 524.423 6.878 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3F)c(Br)c2)cc1 1084355523 YNAXVQFRMVYQDO-UHFFFAOYSA-N 582.473 7.697 50 10 KKGE CSc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 1084427736 CLSFYUXJDZIIDB-UHFFFAOYSA-N 512.291 5.597 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)c2ccccc2)cc1 1084463609 WJISELUPZSZRCQ-UHFFFAOYSA-N 551.068 5.102 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1 1084655102 KHENUTVHYRRMFD-DEOSSOPVSA-N 620.338 6.162 50 10 KKGE O=[N+]([O-])c1cc(Br)ccc1[C@@H]1CN(Cc2ccccc2)C[C@@H]1CI 1614694872 QJVXNDAMHWIJJQ-WMLDXEAASA-N 501.162 5.008 50 10 KKGE CC(C)(C)[Si](C)(C)OCCOCCN1CCN(C(=O)c2ccccc2Sc2ccccc2N)CC1 1848437320 NXEXYANYWSGNJM-UHFFFAOYSA-N 515.796 5.216 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682212 IYJPCRUPAIMVEP-HHHXNRCGSA-N 502.549 6.117 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cccc(Br)c1 1865683847 JKQVNWMEOQOFEA-QFIPXVFZSA-N 535.804 6.372 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc(Br)c1O 1865688328 PIWYJBNAPSMJSU-KRWDZBQOSA-N 553.310 5.174 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)cc1OC 1865695245 ANIOZLYUZRTECY-SANMLTNESA-N 507.034 6.079 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697476 UHZXMCOBPRMHRK-GDLZYMKVSA-N 573.068 6.525 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706795 FUJAUBAWKFKWBT-VWLOTQADSA-N 528.996 5.496 50 10 KKGE CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 1865759230 OYKJLEWXLSINSU-WUXMJOGZSA-N 500.382 5.246 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868414115 JKGHQUKPROQWCS-SANMLTNESA-N 559.526 7.187 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccccc3Cl)n2)cc1 1868415580 ZLRNIUZYPBCFLN-XMMPIXPASA-N 552.025 8.474 50 10 KKGE COc1cc2c(cc1OC)[C@@H](C(C)C)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n1)CC2 1868456038 ICFLYKNQDILBLP-SSEXGKCCSA-N 555.679 7.376 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3c(OCc4ccc(F)cc4)ccc4ccccc34)nc2c1 1872728831 WQURHBKIFNHJJU-KGENOOAVSA-N 505.505 6.057 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccccc1C 1872782917 WWJVBGSAVWFZPM-LQKURTRISA-N 502.639 8.314 50 10 KKGE COc1cccc(/C=C(\C#N)c2nc(-c3cc(C(C)(C)C)ccc3C)cs2)c1OCc1cccc(C)c1 1872794267 RUGNNZAUSMFISJ-PCLIKHOPSA-N 508.687 8.376 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 1873941050 UEVULFXYHHEGBX-YLWNRNMUSA-N 519.626 6.981 50 10 KKGE Clc1cc([C@@H](Br)c2sc(Br)cc2Br)ccc1I 1922942228 QYZPEFUMNPXQFG-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1cc2sccc2s1 1923055561 VNRUWBQKUXXESM-MRVPVSSYSA-N 507.519 7.687 50 10 KKGE CC[C@@H](Br)C(=O)c1c(Br)c(Br)cc(Br)c1Br 1995047103 DSUQRECSHRWPFL-SCSAIBSYSA-N 542.685 6.093 50 10 KKGE Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](CBr)C(C)C)ccc1I 2026130247 DFXRDVMNZBEZML-IBGZPJMESA-N 500.218 5.662 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1ccc(Br)cc1I 2026222013 SJHKOIOVSABIER-JTQLQIEISA-N 571.297 6.968 50 10 KKGE Cc1sc([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2026222476 YVIOUAIKYJOIML-GFCCVEGCSA-N 506.428 6.514 50 10 KKGE COc1sc([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2034639356 IFURBTMZSQPYRY-NSHDSACASA-N 519.878 6.529 50 10 KKGE Fc1ccc(I)cc1[C@@H](Cl)c1c(Br)sc(Br)c1Cl 2050467702 OLWCJYHBLDMNMZ-MRVPVSSYSA-N 544.836 6.998 50 10 KKGE C[C@@H](CCCCCI)NC(=O)c1scc(Br)c1Br 2054158317 MGOLTIFNBOPAKP-QMMMGPOBSA-N 509.045 5.387 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)sc(Br)c2Cl)CCCCC1(F)F 2111648592 VVIYURCJYFBLHK-KCJUWKMLSA-N 501.456 7.578 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2cc(Br)sc2Br)cc1Br 2137641111 UHQRVGMDLIHPOI-NSHDSACASA-N 554.323 7.182 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2ccc(Br)c(C)c2Br)c1 2138848380 ASMYWBAVSNDCFL-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@]23CCOC3)c1Br 2141468656 MHSRUZNGWFKHMM-BCYKBWKHSA-N 582.750 6.599 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CC23CCCC3)c1Br 2141473122 LLIARKDGSIJINX-RDDDGLTNSA-N 580.778 7.753 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(Br)cc2I)c(Br)c1 2142289209 PCTYUFHGZIDEGU-CQSZACIVSA-N 516.398 6.153 50 10 KKGE BrC[C@H](Cc1cccc(Br)c1)Cc1c(Br)cccc1Br 2150496121 RIFWOMWVQBVJIV-GFCCVEGCSA-N 525.904 6.770 50 10 KKGE Cl[C@@H](CC12CCC(CC1)C2)c1c(Br)c(Br)cc(Br)c1Br 2206396368 WBYYIYHTCHPPGN-DYNOMCFFSA-N 550.354 7.987 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(Br)ccc1I 2218800035 IHPUCIZTSPQPTB-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1C(C)(C)COCc1ccccc1 2225686813 LKZKOURBXFIBAU-ZDUSSCGKSA-N 500.662 6.813 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(Br)cc(C)c(Cl)c2C)c1 2241001813 RNOGIDOSMGGMRY-OAHLLOKOSA-N 528.453 7.117 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2I)c(C)c1F 2264471201 NPKQQAPYVBQECW-LLVKDONJSA-N 501.963 5.027 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1ccc(Cl)c(I)c1 2268347937 VCYHZDKXPQYMCM-SNVBAGLBSA-N 505.565 5.058 50 10 KKGE COc1ccc([C@H](Cl)c2cccc(F)c2I)cc1I 2269555087 ZPIGIXMTPRZBMY-ZDUSSCGKSA-N 502.492 5.372 50 10 KKGE CCCOc1ccc([C@H](Br)c2scc(Br)c2Cl)cc1Br 2279287798 MAYKNYFEMUXCEH-LBPRGKRZSA-N 503.481 7.200 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cc(F)c(Br)cc2Cl)c1Br 2282907198 LPUHOHWFWDMKJN-AWEZNQCLSA-N 505.834 7.403 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1cc(Br)c(Br)s1 2295262213 GPNBNGUPYFIBCJ-NSHDSACASA-N 568.350 7.490 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Br)cc1 2295483076 YMFYAGRLAKCOKH-UHFFFAOYSA-N 655.549 6.054 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccccc1OCc1ccccc1 2296500352 KBTROTRTLKQUIA-UHFFFAOYSA-N 543.044 7.370 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2296706066 SMFJWVIQGMXRDS-UHFFFAOYSA-N 575.068 7.716 50 10 KKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)oc1Br 2299526612 ZNTYNALSZOCAIJ-GOSISDBHSA-N 515.039 7.176 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 2314448117 FEBQQEBINZRLBC-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@@H](CC)C2 2314571738 LDNRIUOOOLPZTH-OAHLLOKOSA-N 543.472 7.552 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593011 FTNRTOHMGSYHAL-SSOJOUAXSA-N 552.483 6.306 50 10 KKGE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314610680 LAYRWMWKCHSTBW-UHFFFAOYSA-N 546.602 6.260 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 2314618621 QMMYZZGWKOSZRL-UHFFFAOYSA-N 524.621 5.265 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1C 2314619800 FNNBEIJUNYRZHA-UHFFFAOYSA-N 577.084 7.082 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc(-c2cccc3ccccc23)cs1 2331338086 YZGCDHWTQVTNHV-UHFFFAOYSA-N 505.599 6.842 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)c(OC)cc1Cl 2331471054 IIWLHVBDDMGFJJ-UHFFFAOYSA-N 507.793 6.022 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OC(=O)c1ccccc1 2331474431 HGMUMCHJPZIJON-UHFFFAOYSA-N 517.006 7.073 50 10 KKGE CCOc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364235742 PRPUADYXFDMZKL-SNVBAGLBSA-N 531.868 5.591 50 10 KKGE N#C/C(C(=O)COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12)=C1/Nc2ccccc2S1 3368843 LXKJWXQOKCYYPE-LHLOQNFPSA-N 529.524 6.182 50 10 KKGE CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 15227823 YOFPIFUCKNPNRV-HKWRFOASSA-N 503.002 6.985 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 33416640 HSZKRUWHQSXFJM-SLSCBCEPSA-N 508.430 6.367 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Br)c1 38651552 GPFRLJNSMJSDOX-VWLOTQADSA-N 519.395 6.065 50 10 KKGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 39992849 KLHRSFDTMVLXFI-DTQAZKPQSA-N 506.440 5.060 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1 40988211 DSVJUCHLGSKAKI-XMHGGMMESA-N 513.432 5.554 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O 59304664 JWBGCGKXJALIMP-QPSGOUHRSA-N 502.546 5.089 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl 59676616 KPCQWHROUJMKOY-PXLXIMEGSA-N 522.432 5.837 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 100238887 XUXRTKWLWLSKND-VEDIRDOVSA-N 550.793 5.633 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(I)cc1 100327516 GRZKQYWDCNHNDZ-HSMHNTNPSA-N 623.285 5.605 50 10 KKGE Cc1ccc2c(c1)/C(=N\NC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2CC(C)C 100870097 GBEKNZAFUBKFLN-QVAGMWBUSA-N 541.449 6.109 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 101333868 AYDMBOIYDHRZJH-OGLMXYFKSA-N 546.602 6.258 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1 101337646 CABVVCQYVFBNCQ-NEDSSLFVSA-N 556.666 6.988 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 101368037 JTHIPNBWJPMNGG-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)c1 101376303 BCFOMWYCYOTDTN-JQZLHZHWSA-N 536.672 7.390 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380617 ZMXIMWXGLOZAJM-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OC)cc1Cl 101392626 XGRVHMGWNYBLLQ-XMMPIXPASA-N 555.414 6.237 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101397333 YAYYNFXUNNMDSE-MUUNZHRXSA-N 587.470 7.510 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5cccc(Cl)c5)c(C)c43)coc2c1 101620414 PFUISYXTPVIION-NJZRLIGZSA-N 547.011 5.079 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2c(Cl)ccc(Cl)c2Cl)ccc2ccccc12 102007084 OCWZBSFUVKMAMV-IURWMYGYSA-N 586.953 8.231 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 102452781 FEDGIWXWTZSESX-QRQIAZFYSA-N 568.654 8.139 50 10 KKGE Cc1cccn2c(/C=C(/C#N)C(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCCC4)c(-c3ccccc3)nc12 102925706 OEEQTSYEHJOHCO-IYTCMIDZSA-N 565.699 5.705 50 10 KKGE COc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 103880408 PUKZUQHBCFVDLM-LQKURTRISA-N 580.382 5.738 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150407869 LUMBOBWEJYILNL-UHFFFAOYSA-N 657.197 6.926 50 10 KKGE O=C(CCCCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150428099 KZNQYMZDEYMPOE-UHFFFAOYSA-N 858.176 6.356 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430576 PLVAKNYFYFHPDD-YTTGMZPUSA-N 685.958 8.572 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 150441918 XDAUGEZJJVKJOJ-SSEXGKCCSA-N 651.930 8.070 50 10 KKGE CC(C)(C)[Si](C)(C)O/N=C/[C@H](OCc1ccccc1)[C@@H](F)[C@@H](COCc1ccccc1)OS(C)(=O)=O 199217187 UMFDCGOEIOMNTR-JZAVWUQASA-N 539.742 5.479 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCC(C)C 205776274 ZJCSDHYFGJDXEA-RPFADYPDSA-N 646.769 5.799 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214242008 BNRBMRXFHDVONE-QXPFVDMISA-N 588.683 7.430 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214322492 INRMUXBXQSYFAR-SDEVNZIBSA-N 522.605 5.018 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253572928 QTUGNSZQJQRMCG-USLOJTSYSA-N 698.634 7.203 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)[nH]n1)c1ccc(-c2ccccc2)cc1 254478179 PPIDOIDNBVHEAB-UHFFFAOYSA-N 500.602 6.785 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1 254630255 HRCVSQGPOQKRDO-UHFFFAOYSA-N 509.647 5.402 50 10 KKGE CCCCOc1ccc(C(=O)NCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1 254735196 SIGCFOBLTRXBNT-UHFFFAOYSA-N 545.636 5.144 50 10 KKGE Fc1cc2c(cc1I)nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 390481990 LUEXXPWLLXFIRJ-UHFFFAOYSA-N 561.870 6.654 50 10 KKGE N#C[C@@H](C(=S)NC(=O)c1ccccc1Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 616444424 MFBIOBLEMFLWFX-SANMLTNESA-O 544.434 5.393 50 10 KKGE COC(=O)[C@@]12CCC(C)(C)C[C@@H]1C1=CC[C@H]3[C@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@H]4CC[C@]3(C)[C@@]1(C)CC2 616567970 PFXQUFDRMQZVJI-FRVGMNFGSA-N 585.002 10.352 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2)C1 616592109 HWXAVZBUZKWRAY-RUZDIDTESA-N 507.772 6.786 50 10 KKGE Cl[C@@H](c1cc(Br)c2c(c1)CCCO2)c1cc(Br)sc1Br 709710219 YOPWWNKNNPQPEZ-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE COC(=O)[C@H]1O[C@@H](Oc2ccc3c(C(=O)c4ccc(OCN5CCCCC5)cc4)c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)sc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083803577 FQWUSGHMQPXVGW-HJNNXOOGSA-N 890.093 8.077 50 10 KKGE CC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 1083887572 SNDWCZSNBNZIBU-UHFFFAOYSA-N 514.763 5.044 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCC#N 1083901483 NJOOREGHWXXBCN-UHFFFAOYSA-N 590.421 5.732 50 10 KKGE CC(C)c1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C(C)C)cc3Br)cc2)c(Br)c1 1083986227 GBZIOZBAXVTXID-UHFFFAOYSA-N 672.418 6.517 50 10 KKGE Cc1c(Br)c(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1 1084225142 UWVKNGYVLRVTMK-UHFFFAOYSA-N 501.406 5.148 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084603469 MWVIWCGKUKDLEE-UHFFFAOYSA-N 577.229 5.861 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(I)c2)cc1 1084633240 USOYQVQUBVBPTA-UHFFFAOYSA-N 724.824 8.816 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3Cl)c(I)c2)cc1 1084635487 WSONAUDITFZIPZ-XMMPIXPASA-N 671.757 6.649 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 1554498775 WNVASWKCVVHYOC-QOBRKUOCSA-N 645.785 6.313 50 10 KKGE C/C(=N\NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615527035 XLCRHAQMJDPQIQ-JQMZSFQBSA-N 646.788 6.431 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 1865686033 QMYRDCYUEKETJQ-LJQANCHMSA-N 501.295 6.569 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 1865687284 NOYJPECIKXTASB-DEOSSOPVSA-N 566.967 6.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865688313 PARKGGNTSIVYGG-NDEPHWFRSA-N 541.051 6.592 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc(Br)c1O 1865688350 PYQMARKJSYAVCD-IBGZPJMESA-N 515.795 5.173 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc(Br)c1O 1865689441 SBCIQMFOVYQNHD-MRXNPFEDSA-N 573.728 5.438 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc1OC 1865694841 CWYLOUGUNZUDIE-LJAQVGFWSA-N 534.660 6.703 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865696389 FJYWHXSYDGYKMU-QFIPXVFZSA-N 512.532 5.664 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2c(F)cccc2Cl)cc1OC 1865697368 QSYAZYYRSXFTOK-NRFANRHFSA-N 561.839 5.674 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865700783 DFFTVCNHIDEOPO-SANMLTNESA-N 565.888 7.582 50 10 KKGE CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1 1865702294 RUHZQJCZJOHHTB-HHHXNRCGSA-N 523.612 5.810 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccccc2Cl)cc1 1865703710 ZZNWCFAHAPYTNA-PMERELPUSA-N 559.069 7.357 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704700 CEIWTUKDGDVXGP-RUZDIDTESA-N 552.512 6.482 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc1OC 1865709311 UEYLEODGEPXXHB-MHZLTWQESA-N 550.059 5.088 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865715221 ZKIZDWPIDUYAHS-QHCPKHFHSA-N 530.968 5.142 50 10 KKGE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866680313 NIBCHLXBJMKYSY-NDEPHWFRSA-N 504.656 5.987 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867179585 RJGITHIVMUHAHC-HHHXNRCGSA-N 542.636 5.833 50 10 KKGE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1867193438 VSNNVBOBUIAXKY-HXUWFJFHSA-N 527.444 5.452 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)CC1=O 1872754387 QLKPKMHDRYNSJL-CGDDYCGFSA-N 508.043 6.552 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1OC 1872781752 OPXMCGCOFQSZRG-LFVJCYFKSA-N 512.631 6.912 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)c1ncc(I)cc1Br 1888099748 YNPUODKLILMXMO-ZDUSSCGKSA-N 524.038 5.629 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Br 1915129944 FHFXJBCZYRWSGG-CYBMUJFWSA-N 504.060 6.028 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)sc1Br 1915774766 SKILTTUSDLNGPI-UHFFFAOYSA-N 510.089 6.089 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Cl)c1c(Br)sc(Br)c1Cl 1923054302 CWWHQQKBBDBHPV-ZETCQYMHSA-N 511.863 7.351 50 10 KKGE CCc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)s1 2029233076 OTDSNDWLYNITIP-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE Clc1cc([C@@H](Br)c2cc(I)sn2)c(Cl)c(Cl)c1Cl 2056497053 QSSGVQFVQUJLAS-SSDOTTSWSA-N 517.828 6.846 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2sccc2I)c1Br 2085494167 KLKZHFPXAICHHZ-JTQLQIEISA-N 694.644 7.887 50 10 KKGE CC(C)(C)CC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085496515 RQLPCDPIKIGMRG-SECBINFHSA-N 526.332 7.843 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)[C@H](Br)C1CCCC1 2110730707 MJZKULOZFWCRJE-LLVKDONJSA-N 565.869 5.708 50 10 KKGE COCc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 2134746028 PJUOLFVMBGMDFK-SNVBAGLBSA-N 533.905 6.666 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1c(Br)cc(F)c(F)c1F 2169662481 MYJWTRXKEQJWQN-LLVKDONJSA-N 523.887 6.094 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206397308 HUKDNBKFBALTHK-LBPRGKRZSA-N 594.736 7.668 50 10 KKGE Clc1ccccc1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405750 POMSGDXQISCAPY-NSHDSACASA-N 566.740 7.913 50 10 KKGE Cc1cc([C@H](Br)c2scc(C(F)(F)F)c2Br)ccc1I 2207106657 YMNURTFPZHPPSG-JTQLQIEISA-N 539.980 6.927 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Br)c(C)c2Br)c(Br)c1C 2221834456 FAMIWVVTYNRRRH-SECBINFHSA-N 537.962 7.507 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(C)c(Br)c1C 2235610692 RYDFSGRSQWBQDW-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1Br 2236112316 SPRSCUNWQDKFPT-LLVKDONJSA-N 584.793 6.718 50 10 KKGE C[C@H](NCCSSCCNC(=O)OC(C)(C)C)c1cc(Br)c(Br)s1 2247562327 ZPHANUSRBBLTBT-JTQLQIEISA-N 520.378 5.830 50 10 KKGE Brc1coc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2258116778 IUWKADFOIBWVKJ-LLVKDONJSA-N 631.576 7.576 50 10 KKGE Cc1cc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 2296506708 BDBRMWRAOIDPAF-VWLOTQADSA-N 540.048 5.899 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1Cl 2296545288 DMSTVHNHHCKCEF-UHFFFAOYSA-N 522.008 7.085 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(=O)OCCOC)c1C 2296790104 OXEXERDNQMPJSE-UHFFFAOYSA-N 547.658 6.290 50 10 KKGE Clc1cc(Br)cc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1 2314499015 ZSJNJSSHDRPXML-FQEVSTJZSA-N 501.045 7.772 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)c1 2314531809 FCEOLFCYQLCDFA-UHFFFAOYSA-N 501.340 5.103 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592281 PSMCTLIFRVGPQX-VWLOTQADSA-N 518.038 6.112 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1Cl 2314643150 FBGQANWEZCGLAW-MGBGTMOVSA-N 579.052 7.073 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)cc1 2314646986 XTKKWNQFNYFKFG-NDEPHWFRSA-N 648.741 5.252 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2316834891 VSTOLDIMXKPZPL-MRVPVSSYSA-N 521.898 5.816 50 10 KKGE CC(C)(C)[C@@](C)(CBr)CSc1cc(I)ccc1Br 2327077129 QWAMDUIZNGMIKN-AWEZNQCLSA-N 506.085 6.593 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H]3CC(=O)N(c4c(C)cccc4CC)C3)n2)c1 2331376488 JGLRENSYHJLHSD-HXUWFJFHSA-N 517.651 6.324 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1OC(C)C 2331425033 QPFIQIRISGIKRC-UHFFFAOYSA-N 524.267 7.739 50 10 KKGE CS(=O)(=O)c1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2361196511 YKTIFQXFODESTQ-NRFANRHFSA-N 510.247 5.916 50 10 KKGE N#C/C(=C/Nc1ccccc1OC(F)F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 1822115 OKAAKFMYTPZQGH-RAXLEYEMSA-N 516.323 6.257 50 10 KKGE COc1ccc(CCCc2nnc(SCC(=O)NN=Cc3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])o2)c(C)c1 8451746 DKXYNNITALEJOM-UHFFFAOYSA-N 605.673 5.300 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1 38651691 PRPSIZJTNDRXKE-DEOSSOPVSA-N 503.352 5.451 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2Br)cc1 38678707 AZTRNONEFGBPLS-DEOSSOPVSA-N 505.368 5.675 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)c1 38678805 DISVRUPSCWIZDY-RUZDIDTESA-N 505.368 5.269 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCC(C)C 40924874 IRRMUBWAPFTTCU-LGJNPRDNSA-N 504.077 6.139 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(I)cc1 100228177 FYGQHACDBWDJEG-LLLIGWKVSA-N 598.481 5.961 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc3cc(Cl)c(Cl)cc3nc12 100944212 CYLXIYVEEKSIEQ-RPWUZVMVSA-N 548.814 5.289 50 10 KKGE Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 101012051 VGJWOTDKTXSVPS-GTWSWNCMSA-N 531.637 6.765 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1 101034413 RMQCCCOSLZTYHQ-GZTJUZNOSA-N 529.902 5.931 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 101303408 IVUPXKWAPGSTMS-NDZAJKAJSA-N 556.622 5.905 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101338061 IOZNMEOVGPTUMR-NJZRLIGZSA-N 556.666 6.472 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367486 KDADMBRADSLRQY-HKBQPEDESA-N 548.595 6.110 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383182 LEZKFVZMNJHZCS-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1Cl 101385847 JOGPUXBNQMZYTN-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(C)cc1 101387867 YCESZKZSSNZLOD-PGUFJCEWSA-N 582.656 7.563 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388570 BIYUFRYNEBSBRZ-XIFFEERXSA-N 597.067 6.829 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)oc2ccc(Br)cc12 101392412 FLRUOYXEPDQMLN-MHZLTWQESA-N 551.396 7.094 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1c(C)cc(Br)cc1C 101733946 YXDHHKSCLHKWKG-UDWIEESQSA-N 553.409 5.265 50 10 KKGE Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1C 102141449 NXBPXNPKIRNESU-JCMHNJIXSA-N 532.044 7.254 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCOCC1 102836930 ZBTAWOPXEXQLEN-KQWNVCNZSA-N 559.453 6.191 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2ccc3ccccc3c2)cs1 103449592 SPBLRODBMKAPEN-MZFJOGFUSA-N 550.683 9.185 50 10 KKGE CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 103797007 WFOPUEBTDLGNRE-FADJLKOXSA-N 544.655 6.801 50 10 KKGE C=CCOc1c(I)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 103878425 OTWUZZAVVKAFFN-UZWMFBFFSA-N 605.476 6.785 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1 105456008 LEBAYASCPXRTDO-OKCVXOCRSA-N 561.088 6.167 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1OC 150401759 HVWUKJPCEIQGJG-GOSISDBHSA-N 630.695 7.173 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 161093293 QGZYCLWRPJTGCE-HNNXBMFYSA-N 527.876 6.857 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)cc1 205661302 PBNKYTKBNSRSOY-FALNRTFXSA-N 508.618 6.873 50 10 KKGE COc1c(Br)cc(Br)cc1C=NNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 252642679 ZOBWNAWPJDVOAU-RUINBWOPSA-N 597.716 5.856 50 10 KKGE C[C@H](CI)[C@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CC[C@H](O[Si](C)(C)C(C)(C)C)C4)CS3(=O)=O)CCC[C@@]21C 253387363 LVIFSGTVHZZZPF-YRYGSXHRSA-N 618.738 7.868 50 10 KKGE C/C(=N\NC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N/NC(=O)c5cccc(Cl)c5)CC[C@]4(C)[C@@H]3C[C@@H](C)[C@@H]12 253565081 HHBZLPGKWFBREO-IVGZAFAXSA-N 619.637 8.320 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 254448884 HUHDFULZZUYTIU-UHFFFAOYSA-N 565.636 5.974 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)n2-c2ccccc2)cc1 254498905 HIEMNATYAPNUJJ-UHFFFAOYSA-N 535.629 5.978 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]2Br 256019075 JIESCVYWQVKWBA-UVBJJODRSA-N 583.373 7.271 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)c(C)cc2Br)cc1Cl 380441112 DBKDKWJZWQDGHP-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(F)ccc2Br)[C@@H](CI)C1 382698603 ZLFKWALMTDKAFC-YOEHRIQHSA-N 518.164 5.375 50 10 KKGE CCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232212 FTUXKEAMZSWESO-PCTYFZJQSA-N 677.433 6.812 50 10 KKGE in-vitro CO[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 616584235 AUHUBWQSDUBDNK-GIDFYXQGSA-N 602.882 6.424 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1scc(Br)c1Br 705449328 YRUDPJSSWSKNPO-NSHDSACASA-N 533.905 6.837 50 10 KKGE Cl[C@@H](c1cc2c(cc1Br)OCCO2)c1scc(Br)c1Br 705463670 LXHFQAVZPPQLNU-LBPRGKRZSA-N 503.437 6.135 50 10 KKGE BrCC(CBr)(Cc1ncc(Br)s1)c1ccccc1Br 713640478 VOBRMCCMPVNLSV-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE O=C(N[C@@H]1CCCCc2ccccc21)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237264 CBTOBFGOPPFPKI-ZJSXRUAMSA-N 521.004 6.664 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725409488 GRYPYPZYTBUJPQ-UHFFFAOYSA-N 508.203 5.252 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1083975675 CZMKYILVULXNME-UHFFFAOYSA-N 568.254 7.998 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3cc(C)cc(C)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084053433 XVTZVXKTUWAQGL-UHFFFAOYSA-N 593.105 5.338 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)ccc1OC(C)C 1084110543 BQOHHDJMDKYAEO-UHFFFAOYSA-N 580.508 5.735 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084166281 DWANEKXOKPXYMV-UHFFFAOYSA-N 543.586 6.192 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 1084222100 GSUVYTREAULOSQ-UHFFFAOYSA-N 528.359 5.108 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc2cc(Br)ccc2o1 1084257288 PDYDQENYZHGQGR-UHFFFAOYSA-N 516.971 5.190 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 1084258726 MCDQEOYFDJSUIS-UHFFFAOYSA-N 643.379 8.321 50 10 KKGE COC(=O)c1c(NC(=O)CCCCCCCC(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)sc(/C(C)=C\C#N)c1C 1084295451 BNLBSYCSNDPMNQ-KPNKYRRCSA-N 624.785 7.161 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084399235 QIWLNGLHFZWKIN-UHFFFAOYSA-N 556.671 6.690 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1cc(Cl)cc(Cl)c1O 1084563848 MJCNCIWFDTZQIZ-UHFFFAOYSA-N 547.030 5.906 50 10 KKGE CCOc1ccc([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CI)cc1OCC 1614628263 XHZXZYUPYROOAX-WOJBJXKFSA-N 509.384 5.271 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743671 FXENCEFEUJHVKU-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772747719 QEHLGQQWSHEIFD-UHFFFAOYSA-N 536.213 5.775 50 10 KKGE O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 1772760307 AOEJMAGVFJRSKX-LJAQVGFWSA-N 530.657 6.161 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865687170 LAZPHWJEYIVQHM-DEOSSOPVSA-N 566.967 6.409 50 10 KKGE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccccc2OCc2ccc(Cl)cc2)c1 1865700773 DDZJAQBPVBHVMP-VWLOTQADSA-N 564.995 7.018 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702469 VVDXMOCOALOJJZ-JOCHJYFZSA-N 535.348 5.807 50 10 KKGE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703054 LVZHIVUYKYNZND-AREMUKBSSA-N 517.416 6.344 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1 1865703480 WOEJBYJRYMPVPE-HHHXNRCGSA-N 514.988 6.138 50 10 KKGE COc1ccc(-c2nn(C)c3c2[C@@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865704354 UDSHJUJYYOJMNX-MUUNZHRXSA-N 514.585 6.046 50 10 KKGE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704442 VXZOXDBZGLVIRV-PMERELPUSA-N 530.603 6.583 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865706180 PLTQEFAGHLXLHT-JOCHJYFZSA-N 518.360 6.032 50 10 KKGE C[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Br)cc1 1866944921 VZQIJRQHGKPFSR-MHECFPHRSA-N 554.535 6.183 50 10 KKGE CC[C@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867128857 UMWBRFCKSRQGSP-KBMIEXCESA-N 582.520 5.986 50 10 KKGE Cc1ccc2nc3c(cc2c1)CCN3c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544754 JRXXIPINJGKFFM-UHFFFAOYSA-N 542.712 8.309 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)c3cc(OC)c(OC)c(OC)c3Br)n2)cc1 1872745743 AUOOZBWKGUIBRA-CYVLTUHYSA-N 503.374 5.557 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(Cl)s5)cs4)cc3C2=O)c1C 1872757918 CFSRPFJUSCOWLZ-NKFKGCMQSA-N 518.019 6.892 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccc(Cl)cc1 1872782919 WXFVNKMXKRKEIV-AFUMVMLFSA-N 513.062 7.994 50 10 KKGE FC(F)(F)C([C@@H](Br)c1c(Br)sc(Br)c1Cl)C(F)(F)F 1923073668 ZFOBRWFASQRALD-REOHCLBHSA-N 519.324 7.103 50 10 KKGE CC(C)(C1CCC1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605627 UNMHHNQDWCCYAG-VIFPVBQESA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@@]23CC[C@@H](CO2)C3)c1Br 2021891115 PZWXSKSTVHECGA-MEQXXCBNSA-N 509.883 6.041 50 10 KKGE Cn1c(Nc2nc3c(OCc4ccccc4)nc(=N)[nH]c3n2[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)nc2ncc(-c3ccccc3)cc21 2080522748 JQXQDTVFNDUADD-XKKJXBDVSA-N 808.149 9.210 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cscc2OCc2ccccc2)c1Br 2085493493 CIZQKWKJFXLURT-MRXNPFEDSA-N 674.872 8.861 50 10 KKGE C[C@H](CCCCCI)NC(=O)c1ccc(Br)cc1Br 2117894254 KTJLCMMQMDIROT-SNVBAGLBSA-N 503.016 5.325 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1C 2141477648 SMLZUWSCSZISTC-CYBMUJFWSA-N 552.351 7.743 50 10 KKGE CC1(C)CO[C@@H](C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398571 WJYYCFHYRRBMFC-YUMQZZPRSA-N 598.793 7.378 50 10 KKGE FC1(F)CCOC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206398873 ZTATYCBRDUDVBY-GCXOYZPQSA-N 562.268 6.688 50 10 KKGE FC(F)(F)[C@@H]1C[C@@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206401611 YIGQTXMTPHRIPO-PBXRRBTRSA-N 608.710 7.761 50 10 KKGE Cl[C@H](c1cc2sccc2s1)c1c(Br)c(Br)cc(Br)c1Br 2206406104 VIDJGHGTBGLKIT-CYBMUJFWSA-N 580.386 8.341 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(I)c1 2207261878 VVQBMPGNUSSFOG-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE COc1cc(C)c(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2207273377 UJLGIJVXXVDMNM-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)Cc1ccccc1I 2218811585 ZOZGEZDDGAWWSR-NSHDSACASA-N 500.037 6.411 50 10 KKGE CCOc1cc(CBr)cc(Br)c1OC[C@H]1CC1(Br)Br 2224799857 BAIRSRXQRQOUMF-SECBINFHSA-N 521.869 5.628 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232511713 LDRJSMVKNDVNCY-LBPRGKRZSA-N 522.289 7.965 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)c(C)c1Cl 2232512912 OXSURNZRQPTYJM-ZDUSSCGKSA-N 532.416 6.947 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)c(C)c2)cc1Br 2235677342 HEHNRDQDTVKYHL-INIZCTEOSA-N 525.904 7.384 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2ccc(Br)cc2F)C1 2255269060 LCUJMRYWASDMQE-GOSISDBHSA-N 528.200 5.310 50 10 KKGE COc1ccc([C@H](Br)c2c(C)nsc2Br)cc1I 2257370745 URLBVHWLUZMILV-NSHDSACASA-N 502.997 5.312 50 10 KKGE COc1ccc([C@H](Br)c2cc(C)c(Br)c(C)c2)cc1I 2285016941 YQYQTOUXGBHUMT-INIZCTEOSA-N 510.007 6.163 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(OC(=O)c2cccs2)c(OCC)c1 2295672613 AVSOYKLFAIYYAJ-UHFFFAOYSA-N 538.647 6.273 50 10 KKGE N#CC(=CNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295891511 AXQUPXRIVQLVPX-UHFFFAOYSA-N 552.759 7.328 50 10 KKGE COc1cccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)c(C)c3)C2=O)c1 2296055644 UIRKWXYWSFDKLT-RUZDIDTESA-N 518.038 6.030 50 10 KKGE O=C(Oc1ccc(C=NNC(=O)c2ccccc2Br)cc1OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 2296647294 MMSFSPUAPILMLS-UHFFFAOYSA-N 701.165 7.176 50 10 KKGE O=C(CNc1cc(Br)c(Br)cc1Br)NN=CC=Cc1ccccc1 2297322624 WKCKGIAECFBZAY-UHFFFAOYSA-N 516.031 5.201 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccc(Cl)cc1Cl 2313570667 CKDMBTBOEJLFFZ-UHFFFAOYSA-N 615.138 8.586 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1F 2313570911 IXYWCXNVQAKKPS-UHFFFAOYSA-N 507.190 6.848 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 2313667046 DNSTVHLMEHVNJB-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(-c2ccc(I)cc2)cs1 2314488887 POCVMUPJDHIEBA-UHFFFAOYSA-N 525.327 6.647 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592178 NHTIODNRPKRCDB-HHHXNRCGSA-N 511.647 6.274 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 2314643148 DYLGZVVFRIIESU-XIFFEERXSA-N 578.596 6.259 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646554 BQTDGJXBQSKGDF-GDLZYMKVSA-N 678.836 6.357 50 10 KKGE CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123553 NRDZKUOGFJECIM-UHFFFAOYSA-N 504.608 5.725 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@H]([C@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 2331318644 KDPOWCPPLFJPSI-OSPHWJPCSA-N 501.608 6.102 50 10 KKGE N#CC(=C(O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1nc(-c2ccc3c(c2)OCCO3)cs1 2331329944 AIDQZGARQYNFQK-UHFFFAOYSA-N 507.527 5.332 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccs2)cs1 2331450820 DPDAVNHRMLSQBH-UHFFFAOYSA-N 506.652 8.094 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)cc1Br 2365218995 OJFPMFWHFNMDFD-GFCCVEGCSA-N 550.285 7.559 50 10 KKGE Brc1cc(C[C@H]2CCc3ccccc3[C@@H]2Br)ccc1I 2377250869 BHTGQXCQTVBXME-CXAGYDPISA-N 506.019 6.295 50 10 KKGE CCOc1ccc(-c2c(C)sc(NC(=O)/C(C#N)=C/c3ccc(OCC)c(OC)c3)c2C(=O)OC)cc1 1974884 MXIAGFAWKSGUJY-XSFVSMFZSA-N 520.607 5.862 50 10 KKGE O=C(COc1ccc(Br)cc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21 13988919 QBACVXWMQIBHAV-UHFFFAOYSA-N 504.793 5.525 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1Cl 38687970 NVYXZJSMHREUBM-QHCPKHFHSA-N 513.352 6.359 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(Cl)cccc3Cl)c(C)c2c1 38700583 QODWYDGGVJWVAW-QHCPKHFHSA-N 505.357 6.794 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)sc2c1CCCC2 59116659 UVQVFSYZBMASCQ-HKWRFOASSA-N 521.038 6.582 50 10 KKGE C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 59304862 IQDCHAJAZRBVPU-UZWMFBFFSA-N 514.025 6.834 50 10 KKGE CCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)cc1OC 97914953 VCNLOBFJSWGBFB-AREMUKBSSA-N 505.030 5.381 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1 101340378 OZVKZIQFWGIDLG-PCLIKHOPSA-N 526.564 5.257 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 101361777 CQHCLKDJCIYTLM-LJQANCHMSA-N 614.696 7.555 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OC 101375311 IONFKGHVDUNUDG-HKBQPEDESA-N 560.622 6.386 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380749 MAQKMKQXEGFKSS-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1Cl 101382925 HSELBNMYAKJFSQ-GDLZYMKVSA-N 621.904 8.062 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384572 QYWQFEFFEHYQDW-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c(OC)c1 101392187 VHRXHMXTCZBMHT-JOCHJYFZSA-N 587.868 7.316 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1 101392898 RWWZMRQDAOQZMM-HKBQPEDESA-N 572.573 5.818 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1OC 101395892 AJFIKBIGWSOTST-PMERELPUSA-N 617.167 8.658 50 10 KKGE Cc1ccc(-n2nc(C)c(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C)cc1C 103728052 UANJZMBUUDLYAI-DRVPFVGDSA-N 588.368 6.295 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1 103741578 VCMASWYHQPTIAR-GPSDDGMOSA-N 552.881 6.476 50 10 KKGE COc1ccc2nc(Cl)c(/C=C(/C#N)c3nc(-c4cc5c(ccc6ccccc65)oc4=O)cs3)cc2c1 103761431 IGXBVNAUCGSRBG-ODLFYWEKSA-N 521.985 7.344 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1 105055969 MVYMRWVVXMFPCH-ALQBTCKLSA-N 577.464 7.344 50 10 KKGE Brc1ccc2cc([C@H](Br)c3cc(Br)sc3Br)ccc2c1 159677498 KQSQSXLLCNKQLS-AWEZNQCLSA-N 539.912 7.673 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 164013081 HWQQAKOISYBVFP-AMVVHIIESA-N 669.613 5.737 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 205643196 QLKZZDRZBWDBJS-OQTUNDIPSA-N 530.580 6.111 50 10 KKGE CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 211643452 SZGZTKOCRREDQF-SYVNMNFWSA-N 539.496 5.333 50 10 KKGE CC[Si](CC)(O[Si](CC)(CC)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1)c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 253575751 UZIGWGPQGWGZGA-UHFFFAOYSA-N 651.735 8.533 50 10 KKGE O=C(NN=CCCC1CCCCC1)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN=CCCC3CCCCC3)cc2)cc1 254671121 QQOSHFXBYTVNPT-TYHGNQNSSA-N 632.802 6.996 50 10 KKGE CC1(C)[C@@]2(C)CC[C@]1(C(=O)O/N=C1\C[C@@H]3CC[C@@]1(C)[C@@]3(C)CBr)c1nc3cc(Cl)c(Cl)cc3nc12 256020025 SHRKUBGQSWSJGA-HOLXMPBUSA-N 579.366 7.386 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2I)C1 382703239 DKMKRUSUKVOAID-ZWNOBZJWSA-N 545.053 5.399 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 504779007 QPYJMHIDEUSFNK-YMOIBWOASA-N 807.813 7.094 50 10 KKGE in-vitro CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)C=O)[C@@H]3C[C@@H](Br)[C@@]2(Br)C1 605692513 CLWWIOYWYDVVRU-YOUSCKLKSA-N 532.357 6.303 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCN(CCO[Si](C)(C)C(C)(C)C)c3ccccc32)c1 616588727 CEOZSDMCGIVDAY-HHHXNRCGSA-N 525.926 8.615 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)cc(Br)c2)c(F)c1Br 691632630 AUDHNYRLSRJQJL-NSHDSACASA-N 519.803 6.737 50 10 KKGE Brc1cc([C@H](Br)c2csc3c(Br)cccc23)ccc1I 721589901 VPFKQJCCIODDSS-AWEZNQCLSA-N 586.912 7.515 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 725408805 LIJIBRILKYUEGO-XMMPIXPASA-N 614.751 7.351 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)c2C)c1 1083913503 BBDZGCBTEULGPJ-UHFFFAOYSA-N 544.677 5.420 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 1083998330 LBTCCXCUVDXVHL-UHFFFAOYSA-N 589.739 5.732 50 10 KKGE Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Br)cc1 1084082093 IWMCURIDBNDPEM-QGOAFFKASA-N 539.260 7.613 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1 1084457446 ULTBDXIWEWMQAV-UHFFFAOYSA-N 580.717 6.852 50 10 KKGE COc1ccc(C(C)=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084527275 YJXRXWKBFWSYTQ-UHFFFAOYSA-N 550.464 5.055 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084542759 PQBUBJUVOBEUPU-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE Cc1c(C(=O)Nc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772747248 FPZUCGPXQPBVTQ-UHFFFAOYSA-N 517.929 5.421 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1 1772754173 RYKXTTJVRJBWEN-UHFFFAOYSA-N 574.313 6.617 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 1772754209 QKNNZCPHPIDHBG-UHFFFAOYSA-N 515.437 6.408 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1ccc(C=O)n1CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1775955696 APEKGBRQQMBOPQ-PMERELPUSA-N 590.793 6.985 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc2ccccc12 1865682056 DUSQIRXMOWUJNH-AREMUKBSSA-N 523.423 7.277 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865688899 DPNAVNUHYAADTJ-XMMPIXPASA-N 533.415 6.200 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc(Cl)ccc1O 1865689411 RMCXZOMQPXNGPY-QFIPXVFZSA-N 523.807 6.482 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865691439 SAHRQIKYVFUFMC-QFIPXVFZSA-N 578.294 6.325 50 10 KKGE CCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)cc1OC 1865691547 VFDMPYQPPPDLNZ-QFIPXVFZSA-N 523.431 5.521 50 10 KKGE CCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)cc1OC 1865692192 KKEHFAKVOUPIID-RUZDIDTESA-N 551.485 6.107 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702374 UKIWAZZAMPLCPX-GOSISDBHSA-N 508.178 5.861 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)c1OCc1cccc(C)c1 1865706531 YPDADHIPHHBWNS-XMMPIXPASA-N 564.539 6.204 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707349 UZSQBLMBSJTTMF-XMMPIXPASA-N 549.414 6.090 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865707509 YEKTUOQWXXOGPH-LJAQVGFWSA-N 521.640 6.268 50 10 KKGE Cc1ccccc1-c1nc(CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)c(C)o1 1866646443 RSVBQRWILCDRHV-HHHXNRCGSA-N 556.713 6.131 50 10 KKGE Cc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1866653062 ZLEIBHWYEUOINA-AREMUKBSSA-N 528.609 5.579 50 10 KKGE Cc1nnc([C@@H](CC(=O)N[C@@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2cccc(Br)c2)o1 1867035356 VGXQLMJIEZAGRI-UKILVPOCSA-N 576.476 5.732 50 10 KKGE Cc1cccc2cc3c(nc12)N(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(Cl)cc2)n1)CC3 1868433187 HBOOETXXJUCSGV-UHFFFAOYSA-N 521.049 7.665 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC[C@H](O)C[C@H]3c3ccc(OC)c(OC)c3)n2)c1 1868505527 HLAZLVHPNJQWAQ-OZXSUGGESA-N 569.687 6.189 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Br)cc3Cl)n2)cc1 1872752306 VZXQSJPQNUYPJM-QOCHGBHMSA-N 517.876 8.001 50 10 KKGE Fc1cc(Br)ccc1C[C@H](Br)c1c(Br)sc(Br)c1Cl 1923049087 KRDNWHHSSMIIBS-ZETCQYMHSA-N 556.314 7.507 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Cl)c1cc(I)ccc1Br 1924043619 NRFMSZIZKCERGD-RTHLEPHNSA-N 515.414 6.295 50 10 KKGE Brc1sc(Br)c([C@H](Br)CCC2CCCCC2)c1Br 1924590987 MRYKMZWHYPZNOU-SECBINFHSA-N 523.954 7.832 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1I 1924612434 LVWRETJHNJBVJZ-MRVPVSSYSA-N 694.644 7.887 50 10 KKGE Brc1cnsc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616008 JTMPSFGEKOKGJP-BYPYZUCNSA-N 575.765 6.739 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2csnc2Br)c1Br 1925271824 SYFWIOIXXDAZQZ-LURJTMIESA-N 510.896 6.285 50 10 KKGE CC[C@@H]1CC[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)O1 2023216137 UUJJJLZNRJFSBC-CHKWXVPMSA-N 511.899 6.429 50 10 KKGE Cl[C@@H](c1ccco1)c1c(Br)c(Br)cc(Br)c1Br 2025784172 ZPMPHRVIDMDRJA-NSHDSACASA-N 508.229 6.658 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCCO2)c1Br 2085496957 YVPHCVOYPXYXFT-PELKAZGASA-N 570.739 6.742 50 10 KKGE CC[C@H]1C=C(C)C[C@@H](C)C[C@@H](OC)[C@@H]2O[C@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@H]3CC[C@@H](Cl)[C@@H](OC)C3)[C@@H](C)[C@H](O)CC1=O)[C@@H](C)C[C@H]2OC 2085667610 KASDHRXLYQOAKZ-GROYSNPRSA-N 810.466 5.719 50 10 KKGE Cl[C@@H](c1csc(Br)c1Br)c1cc(I)cc2c1OCC2 2093942706 YPZZXEADNWXTKY-LLVKDONJSA-N 534.438 6.141 50 10 KKGE CCC(CC)(CC)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468376 JLPWQVMLTFSCFI-ZDUSSCGKSA-N 540.359 8.233 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(Br)cc1I 2142279332 OUBGJNLWKVDFPK-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1I 2146630720 ZIPMJMSZDNAICE-AWEZNQCLSA-N 507.991 5.781 50 10 KKGE O=C(Nc1cc(Br)c(I)c(Br)c1)c1cccc(CCl)c1 2151790376 PWTSOIIWQATUFT-UHFFFAOYSA-N 529.397 5.807 50 10 KKGE COC1(C(F)(F)F)CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2182020280 RZGLFBAQWBAKLJ-JGPKUNILSA-N 521.418 6.673 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1Br 2202346258 PZCXDDCDPNHJHZ-AWEZNQCLSA-N 503.843 6.964 50 10 KKGE CCC(F)(F)C(C)(C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206393904 CIFAXKLNQXCZSH-NSHDSACASA-N 562.312 8.088 50 10 KKGE CCO[C@@H]1CC[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398346 UIMXHSVJAXZXDH-WGZSSWNPSA-N 554.342 7.222 50 10 KKGE C[C@H]1CCC[C@](CBr)(NC(=O)c2ccc(Br)cc2I)C1 2207270999 GUMFVDQMMHBACN-BONVTDFDSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccccc2OCc2ccccc2)c(C)c1Br 2227353264 FQHOGAMVYTURBV-JOCHJYFZSA-N 539.105 7.892 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nn(C)c(Br)c2C)c(C)c1Br 2235603533 JQASIOGUXDPHIQ-GFCCVEGCSA-N 529.896 6.117 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2cc(Br)ccc2Br)cc1Br 2270432761 TZNPUNKSIPQYLZ-CYBMUJFWSA-N 536.258 7.251 50 10 KKGE COc1ccccc1C=CC=NNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 2293730013 KKQABWLIMUOFMN-UHFFFAOYSA-N 518.042 5.812 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 2297321505 BZDXHUPOXYVLHS-UHFFFAOYSA-N 569.709 6.457 50 10 KKGE O=C(Nc1nccs1)C(NC(=O)c1ccccc1)=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2297449441 LUSXHSCTVOYLET-UHFFFAOYSA-N 549.592 5.895 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 2297458666 RBBOPARJSZWUTF-OAQYLSRUSA-N 577.287 6.092 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2301118804 HHBZEXDFPMEYPR-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2Cl)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 2313555936 FSTURDWYYAOCAQ-UHFFFAOYSA-N 660.737 7.033 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314488251 MTWTTYQMAMQCBM-UHFFFAOYSA-N 525.800 8.201 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(I)c(Br)c1 2314517853 MKNKGHXLMSVTFC-SNVBAGLBSA-N 540.873 7.215 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593093 HLDGALCQXZTWHU-HSZRJFAPSA-N 526.445 5.891 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1F 2314618205 JFFQWEAHJISMSA-XMMPIXPASA-N 540.595 5.238 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1Cl 2314618832 VBIJZAGDSCFPEN-DEOSSOPVSA-N 557.050 5.753 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)C(C)=C(C#N)C2=O)cc1 2314620328 NBIDESONQMAGDM-UHFFFAOYSA-N 559.582 5.291 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643340 SVDULXIJCACVCY-MGBGTMOVSA-N 562.597 6.559 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Cl)cc2I)cc1Br 2317776006 SCTALBKNVXBJHE-ZDUSSCGKSA-N 504.362 6.331 50 10 KKGE CC(C)C[C@@H](CBr)COc1c(Br)cc(Br)cc1Br 2328547997 VRSIGMNAJDLJCA-VIFPVBQESA-N 507.886 6.410 50 10 KKGE N#CC(=C(O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331232375 GDKAFMYGGJXVQU-UHFFFAOYSA-N 508.515 5.474 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3cc(Br)c(O)c(OC)c3)n2)c1 2331470185 QJEABSYLPCCROJ-UHFFFAOYSA-N 501.402 6.148 50 10 KKGE Cc1nc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c(Br)s1 2337083685 CPKFUGMYVDPTGA-QMMMGPOBSA-N 557.302 7.016 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2ccccc2OCc2ccccc2)c1Br 2337090148 JTBJENHXQXDSBQ-IBGZPJMESA-N 519.035 7.911 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)sc1C 2339652619 AYYCWIGXGSMJQP-LLVKDONJSA-N 535.896 7.276 50 10 KKGE BrCc1ccc(OCc2cc(I)ccc2Br)c(Br)c1 2341779614 ODMRJJDJZXTCCF-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1Cl 2365186208 OCNDMQPTBZSTKI-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Br)ccc1Cl 2365189696 XPGXFACARQXOQJ-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc(C)c1-c1ccc([N+](=O)[O-])cc1 1974868 CCEJBPNTASLLSY-KGENOOAVSA-N 503.580 6.478 50 10 KKGE O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1 3116286 HDMPUMUTFWOEBW-MUFRIFMGSA-N 566.249 6.277 50 10 KKGE N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 33353449 DBYZFUZSJWRBNJ-BKUYFWCQSA-N 536.426 6.609 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)sc2c1 38687044 XAQONYNZWREDQQ-VWLOTQADSA-N 515.034 7.424 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1OC 40951435 RFSMAJWMQITCDK-WPWMEQJKSA-N 505.453 5.853 50 10 KKGE Cc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nc3sc4c(c3c2=O)CCCC4)cc1 100973915 CSOITYUOFPXIIQ-FJEPWZHXSA-N 527.675 5.358 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 101034424 CWQDVLWRIKQMLU-CAOOACKPSA-N 577.043 6.117 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(Cl)cc3)nc12 101115450 XJAHDHUMPOBQCJ-VBKFSLOCSA-N 535.785 5.757 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244850 RNSVVIQSUZQAGM-OGCOBRASSA-N 522.457 6.675 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1 101340535 RNEQPNBPZITMJV-RDRPBHBLSA-N 562.670 6.973 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101368357 LJQFJIYJIMQWAS-ADXZGYQBSA-N 546.595 5.850 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1OCC 101373943 ODUIJQVURLIUAQ-MHZLTWQESA-N 529.549 5.610 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc(C)c1Cl 101381744 RIOXZVVYCPLLKB-WJOKGBTCSA-N 567.041 6.738 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387408 ILLYFKBRWPOIPK-PMERELPUSA-N 587.459 7.327 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(C)cc1 101387969 QFDPEDUJLVTRNN-MGBGTMOVSA-N 576.649 6.809 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccccc1F 101388789 HNHOEMWJZXBKDW-WJOKGBTCSA-N 550.586 6.549 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101394883 SQVHFGNAUNMBJW-HKBQPEDESA-N 566.654 7.455 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 101395267 ZFXPQYLYAJFJSP-NDEPHWFRSA-N 603.469 7.129 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1Cl 101399726 VPVYYJDYAVJVSE-ACHIHNKUSA-N 611.050 6.281 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C1\C(=O)N(CCOc2ccccc2)c2ccccc21 104989638 SLOPXHBURBUKAL-VAMRJTSQSA-N 603.742 6.992 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccc(Br)cc1 109860727 VHMDIMUQJQSRJX-ZDLGFXPLSA-N 578.098 7.626 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NCc1ccccc1 110554837 KNPADOCGBXFPMN-OVVQPSECSA-N 528.587 6.481 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1Cl 150442283 HEHDEVGDLUYAHE-PMERELPUSA-N 677.993 9.277 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497337 XMXPDUFEFSGILC-ZCZCTQKPSA-N 659.573 8.779 50 10 KKGE C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Br 150589185 WPNKJVBTCWOTQL-QPEQYQDCSA-N 633.960 7.156 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)c(C)cc1Br 160788938 GDLRHXAFWPELPV-HNNXBMFYSA-N 527.876 6.775 50 10 KKGE Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(/C=N/NC(=O)c5cccc(Br)c5)cc4[N+](=O)[O-])sc3c2)cc1 164014706 RJPZPLBWZXXWCD-WCMJOSRZSA-N 646.548 7.443 50 10 KKGE Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 169724503 GRWWSZUKNDBRNL-YDAXCOIMSA-N 879.949 5.863 50 10 KKGE C=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(CC=C)S(=O)(=O)c1ccc(C)cc1 200324969 CQRJLZLWRZLASK-MHZLTWQESA-N 533.810 5.693 50 10 KKGE C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 207622342 XHYZJEQNKWDJPN-OAVTYWQCSA-N 724.999 7.509 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c(C)c1 214385369 WLYOTCIJIJVVHQ-NTFVMDSBSA-N 572.621 5.768 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Cl 235018415 NBXDRSURRDMVQC-AWEZNQCLSA-N 503.843 7.011 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Br)s1 252604305 FYNYWYOKSLOLMR-UHFFFAOYSA-N 506.469 7.177 50 10 KKGE COc1ccc(OC)c(-c2cc(C(=O)NN=Cc3cc(Br)ccc3O)c3ccccc3n2)c1 252642375 ZLQBFTXQGZFGKS-UHFFFAOYSA-N 506.356 5.151 50 10 KKGE CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 254734089 RHFMMBDJMWHAIR-IUGPXRKYSA-N 601.295 5.627 50 10 KKGE CCCOc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 254764312 SOYPUBJYQMAEJU-UHFFFAOYSA-N 557.720 6.272 50 10 KKGE CCCCCCC(C)(C)c1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1CC(CO)=CC[C@@H]1C(C)(C)O2 256336846 YTJAMVHPSLRTJH-RPBOFIJWSA-N 500.840 8.902 50 10 KKGE C[C@@H]1CCC[C@@](CBr)(NC(=O)c2cc(Br)ccc2I)C1 300479272 JJKOBVDPQKXWGV-MEBBXXQBSA-N 515.027 5.127 50 10 KKGE CCc1cc(C)sc1[C@H](Br)c1cc(I)ccc1Br 310777283 ATDQFPROFGMEQW-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)cc(F)c(F)c2F)c(I)c1 398734191 NPRJKGIQDLWQRM-NSHDSACASA-N 523.887 6.094 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](OC(=O)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1 575180625 SQYDVNQVPKAIHH-TWFMJERGSA-N 590.822 5.028 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575332147 DGDYJRDKFZTURB-MSNFWHPJSA-N 942.140 9.465 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Nc2ccccc21 616684762 NMYQPXSCFRKTBF-RUZDIDTESA-N 511.783 6.749 50 10 KKGE Cc1cc([C@H](Cl)c2ccc(I)c(Br)c2)c(C)cc1Br 721614997 QDNXDOQNUAISGC-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE CC(C)Oc1ccc(NC(=O)[C@@H](c2cccs2)N(C(=O)CCl)c2cccc(C(F)(F)F)c2)cc1 725237754 MYGBKAOZBPQHTR-JOCHJYFZSA-N 510.965 6.506 50 10 KKGE COCO[C@@H]1C[C@@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3[C@H](C)CC[C@@H](OC(=O)[C@@](OC)(c3ccccc3)C(F)(F)F)C(C)C)[C@@H]12 725239076 WKBJJVNVHWVMMW-SAIKXQSCSA-N 919.295 12.278 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 725410520 IIKWUGVVHZPNOY-DEOSSOPVSA-N 529.406 5.530 50 10 KKGE COCc1cc(C)nc2sc(C(=O)NN=Cc3c(C[C@@H]4CC(c5ccc(Cl)cc5)=NO4)c(OC)c4c(c3OC)OCO4)c(-n3cccc3)c12 1081098363 SVMZYFZRAULRLP-HSZRJFAPSA-N 702.189 6.441 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(I)c2)ccc1OCc1ccc(Cl)cc1 1083844923 ZIRHDOGORKKBPR-UHFFFAOYSA-N 534.781 5.686 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1083956131 WMSVPKAYQPWWLH-UHFFFAOYSA-N 705.458 7.306 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc2ccccc12 1084097010 PLIUOVKALLTMAF-WJOKGBTCSA-N 522.645 6.510 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084134009 SPPWPBXOMJUVOK-LJQANCHMSA-N 544.438 6.417 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084246516 IDSWKSZLYOKBDK-UHFFFAOYSA-N 536.604 5.026 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O 1084294001 QAGNTHOJEGTRBR-VNYOKVHQSA-N 526.922 9.641 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)c2C)sc2c1CCCC2 1084305957 RQWXHUORBQWZBQ-QHCPKHFHSA-N 507.656 5.175 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc(I)cc1 1084375827 FOBIOHPNEZVFIO-HHHXNRCGSA-N 677.377 6.724 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2o1)c1cccc(Br)c1)c1ccccc1Cl 1084394822 JTINJOSPHGGWCP-UHFFFAOYSA-N 500.805 6.170 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084539352 QJCIVMLREGXIOM-VIZOYTHASA-N 537.186 7.333 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1Cl 1084577335 MOUTVHYKAWYZEB-UHFFFAOYSA-N 531.749 6.162 50 10 KKGE O=C(NN=C1c2ccc(Cl)cc2C[C@H]1NC(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)cc1 1088698689 PYWLNLFVGDKNKN-HXUWFJFHSA-N 505.764 5.666 50 10 KKGE CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1 1614653302 WOWFKDPBJRSLGK-FUVRYODWSA-N 509.675 6.170 50 10 KKGE C[C@@H](C=O)[C@@H]1CC[C@@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 1848437779 ZARWZJUOPFZIOB-PYSLIMBUSA-N 637.088 8.632 50 10 KKGE C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 1848440680 XBIQPYOHWXHGHW-AFIKKGQQSA-N 572.947 9.442 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1cccc(Br)c1 1865684394 PRDZJLDTLMTNKX-JOCHJYFZSA-N 552.259 6.886 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865687634 WKTLRWYVUZAMPW-PMERELPUSA-N 564.686 6.711 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865689154 LHHSXMWXGAEWRU-MUUNZHRXSA-N 527.024 6.338 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689252 NOMHDBNQUDPZHA-HHHXNRCGSA-N 561.469 6.606 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)c(OCC)c1 1865692350 BAGIPECBIDPZIZ-MUUNZHRXSA-N 536.632 6.165 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2Cl)cc1OC 1865695038 IEDXWQJLFHRCGZ-RUZDIDTESA-N 507.034 6.274 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695812 UDYMPXBPHNYXBY-MUUNZHRXSA-N 541.051 6.261 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc(Br)c1OC(C)C 1865697141 NZESBJWNOIDPBE-OAQYLSRUSA-N 529.822 5.611 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703417 VJLPYIMABLDHEW-SANMLTNESA-N 514.988 6.083 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703472 WMPSGRWKXUBNND-GDLZYMKVSA-N 575.496 7.051 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703536 APTLVPFYQREEBY-HKBQPEDESA-N 544.630 6.973 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1C 1865705239 PFJBGONKDHOANI-YTTGMZPUSA-N 556.666 7.092 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 1865714386 IZBJBYVSHAMSBX-JOCHJYFZSA-N 517.814 6.232 50 10 KKGE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867193443 VWPSXENDMOBLCG-VWLOTQADSA-N 591.487 5.600 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4cccc(Cl)c4)C3)nc(-c3ccccc3)n2)cc1 1868364700 DLSCQTFZPMGPHY-XMMPIXPASA-N 500.027 6.692 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)n2)c1 1868505061 CSKCTWMQNHLJRB-QFIPXVFZSA-N 571.728 6.159 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749414 QHDHYDHFSFTREL-JRURIKFDSA-N 501.608 6.102 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc(Br)c1OC 1872756885 GDIMNKQAZWUUSH-LMSBGZATSA-N 511.441 7.021 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(C)cc4)c(OCC)c3)n2)cc1 1872791065 UPHXVLPHCHTQER-YZSQISJMSA-N 510.659 7.949 50 10 KKGE CCCCCCCCCOc1ccc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)cc1OC 1873795201 BSVBROSOOUCRAH-JBASAIQMSA-N 505.700 6.360 50 10 KKGE COc1ccc(CCN2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1OC 1873920505 HEIJDCYIVIPUNT-INIDYOGPSA-N 519.623 5.028 50 10 KKGE Fc1cc(Br)c2nc(CCCl)n(CCCN(Cc3ccccc3)Cc3ccccc3)c2c1 1912692034 CCKUQIMPMIODMU-UHFFFAOYSA-N 514.870 6.812 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)c1ncc(C(F)(F)F)cc1I 1916342105 KTRQBEVNTQNYGI-AWEZNQCLSA-N 529.138 5.122 50 10 KKGE FC(F)(F)C(F)(F)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924584043 SIYUVBCKCALDJH-VKHMYHEASA-N 531.758 6.669 50 10 KKGE CC(F)(F)C(C)(C)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924605444 RMDCDOZTBSEVBN-LURJTMIESA-N 519.869 7.153 50 10 KKGE Clc1sc(Cl)c([C@@H](Br)c2cc(Br)ccc2I)c1Cl 1925590652 YVVRDFVUPHTPBQ-QMMMGPOBSA-N 561.291 7.560 50 10 KKGE Brc1cc([C@@H](Br)c2c(Br)cccc2Br)c(Br)s1 1945321523 HGGMXHNGQVGMSJ-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE ClCc1nc2cncc(Br)c2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2034340800 BITKLYZCUKEZGC-UHFFFAOYSA-N 511.851 5.404 50 10 KKGE C[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2085493567 DGUHNTXZCVYCBM-NEPJUHHUSA-N 570.739 6.742 50 10 KKGE Brc1ccc(CC[C@@H](Br)c2ccccc2Br)c(Br)c1 2113442197 OVCRYBOJXMNVMW-CQSZACIVSA-N 511.877 7.043 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Br)c2Br)c1Br 2138863403 MAKZKEPWWRWACE-CYBMUJFWSA-N 576.746 7.529 50 10 KKGE Cl[C@H](C[C@H]1C[C@H]1C1CC1)c1c(Br)c(Br)cc(Br)c1Br 2141467763 BUYHTGAYEBCVFB-VHSKPIJISA-N 536.327 7.453 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)oc1Br 2141467775 BYKUXHZWHZERIT-NSHDSACASA-N 601.152 7.729 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32 2141471186 OVESFDKRZIESBY-SMPFZCFZSA-N 534.311 6.919 50 10 KKGE CO[C@@H]1CC[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141474084 XBFYTQOPQUHSMR-MHYGZLNHSA-N 584.766 6.988 50 10 KKGE CCC1CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141475369 MLXCSHZPSBMXPO-AMDVSUOASA-N 582.794 7.999 50 10 KKGE C[C@@H]1Cc2cc([C@H](Br)c3scc(Br)c3Br)cc(Br)c2O1 2146616951 VBINVIWUALRSFV-KBUNVGBDSA-N 545.916 6.843 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC3(C2)CC32CC2)c1Br 2206399950 NKLPVLBRKDRCPY-MLUFTHPKSA-N 592.789 7.753 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2sccc2I)c(F)c1Br 2220500029 SLKNESJQFZPJDW-SECBINFHSA-N 511.926 6.017 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)s1 2224797088 SZBZKTOGABTQQQ-SNVBAGLBSA-N 553.961 7.118 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Br)sc1Br 2247958129 NAWRJDVLXAHIHC-JTQLQIEISA-N 510.391 6.345 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1sc(Cl)cc1Br 2247989169 DWPCBOACTIRPHL-JTQLQIEISA-N 510.391 6.392 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2268278690 OTSLYSZSMLOFLJ-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2c(F)cccc2I)c(F)c1Cl 2282895736 BBWBBOCXFOKHTI-NSHDSACASA-N 540.342 6.609 50 10 KKGE COc1cc(C=C(C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Br)cc1 2294619889 IFQGDSIDUAUXLQ-UHFFFAOYSA-N 533.647 7.517 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)Nc2ccccc2)c1C 2297467139 HUHLOIAXDDDUTQ-UHFFFAOYSA-N 514.632 6.586 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1cc(Cl)c(Br)s1 2301043956 KRYMVTYFNDKEFK-RXMQYKEDSA-N 528.289 5.907 50 10 KKGE Clc1cc(I)c([C@@H](Br)Cc2ccc(Br)cc2)s1 2301083048 FHMSLZVFYKTEIF-VIFPVBQESA-N 506.428 6.447 50 10 KKGE O=C(c1ccc(Cl)cc1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 2301797624 ZQKNLCYYSYVKFT-SFHVURJKSA-N 518.620 5.761 50 10 KKGE CCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]1Br 2312063801 DPTTXGXNYMYKQC-ZWBHMBAVSA-N 569.755 6.171 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2ccccc2c1 2313567133 GYNOTDDHVLQRRE-UHFFFAOYSA-N 552.074 6.727 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(Cl)cc1 2313567435 HIVWCAQJXDCQFG-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1Cl 2313571259 QXOSNOBUZAFLKE-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1Cl 2313630263 CHFIEPMKAXHANS-UHFFFAOYSA-N 552.483 7.329 50 10 KKGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314487840 KQXNPVCVQNEKQZ-UHFFFAOYSA-N 517.526 6.432 50 10 KKGE N#CC(=Cc1ccccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314490278 WLRVJGFNSAQXJN-UHFFFAOYSA-N 547.017 6.108 50 10 KKGE CCc1nc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)s1 2314499675 FPTFNPUSFTZLGC-KRWDZBQOSA-N 546.122 7.294 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314591661 AQSAPBNDIMVUDM-SANMLTNESA-N 576.516 6.646 50 10 KKGE C=CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCCC)cc2C)C(C)=C(C#N)C1=O 2314616946 NMFKKKKZBCRBLM-UHFFFAOYSA-N 506.606 5.805 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 2314617142 ROBYBCBCAXKZMW-UHFFFAOYSA-N 679.799 5.422 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 2314617394 XMEGPCXOTNZVHX-UHFFFAOYSA-N 602.691 6.180 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314618632 QSNWBXHWEBVSQF-JOCHJYFZSA-N 546.602 6.431 50 10 KKGE CC(=O)OCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314620557 QNFJIWJWIRZWCA-UHFFFAOYSA-N 552.631 5.038 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1OC 2331242565 OOEBQOBVNGFKDG-UHFFFAOYSA-N 500.420 6.815 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2337081267 UGMAELHSNGHLLZ-GOSISDBHSA-N 563.486 8.067 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1c(Br)c(Br)nn1C 2338867501 ORLJNWRJNAQJEW-IMTBSYHQSA-N 516.857 5.342 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2csc(I)c2)c1Br 2339652542 AKAVUBDJLQDZBQ-NSHDSACASA-N 580.905 6.679 50 10 KKGE Clc1ccc(I)cc1C[C@H](CBr)c1ccccc1Br 2352371376 YYMJXLRUXSMCCX-LLVKDONJSA-N 514.426 6.428 50 10 KKGE Cc1cc([C@H](Cl)c2c(F)cc(Cl)c(Br)c2Cl)ccc1I 2360437253 QSFYCXWIUUQXOH-ZDUSSCGKSA-N 508.383 7.136 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(CC(F)(F)F)CC2)c1Br 2362229387 SSIISFJIPJBHMZ-SNVBAGLBSA-N 503.353 7.173 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362236367 PDXNTWXVRCSVCK-JTQLQIEISA-N 554.248 7.390 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)c(Br)s2)c1Br 2365229740 CSJUZNSGWZNLDW-JTQLQIEISA-N 612.801 7.599 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2ccc(Cl)cc2I)c(F)c1Br 2365596696 WXXPAGUQWFMWTJ-NSHDSACASA-N 540.342 6.609 50 10 KKGE BrCC(CBr)(Cc1ccc(I)c(Br)c1)C1CCOCC1 2377267308 UNEWMZRIAVSTBP-UHFFFAOYSA-N 580.924 5.799 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccccc1Cl 1950361 HAEZOVIMMAFYLF-KBKYJPHKSA-N 568.649 5.922 50 10 KKGE CCCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1)C(=O)C(C)(C)CCl 16462176 POEBNZFPRXCSQF-UHFFFAOYSA-N 526.096 6.098 50 10 KKGE N#C/C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)S(=O)(=O)c1ccc(Br)cc1 33479895 CVLPICBKNCYYSS-UYRXBGFRSA-N 501.789 5.693 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1 41013293 SIRVWCZEVYFBDN-XSFVSMFZSA-N 509.027 6.888 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 58889925 BFXFMVJDWFIGSR-WUKQQSQZSA-N 502.998 6.045 50 10 KKGE CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc(C(C)(C)C)c1O 59158876 LCWYDPQCKNROMJ-FMFFXOCNSA-N 500.683 6.842 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1OCc1ccccc1 100175001 NUSIJPKXEYEFLW-UHFFFAOYSA-N 531.406 5.535 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 100236856 MIPRBYZPTRZOQQ-DVMDLWDRSA-N 545.463 6.334 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101338680 QDDXYUPJUWROQL-ZOCNZVAZSA-N 609.752 5.495 50 10 KKGE CCCCCCCCOc1ccc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1OC 101339345 GMLATPVAQBDFEU-LGUFXXKBSA-N 560.691 6.287 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccccc1 101367586 FEZNAOJIXBXTNY-LJAQVGFWSA-N 549.539 5.620 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccccc1Br 101370211 WBOXIZBVSBGXRS-JHEAYKPVSA-N 542.216 6.593 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(Cl)cccc2Cl)cc(OC)c1OC 101370931 QSCYSCGHJIEIRU-QFIPXVFZSA-N 527.360 5.457 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCC(C)C 101374344 AFOKFLSRRPDAOH-LJAQVGFWSA-N 563.050 6.203 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1 101378033 TUNMYLKRSUFPJR-YTTGMZPUSA-N 540.660 6.855 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379814 FSPVDHPIOWGLIY-MGBGTMOVSA-N 595.095 7.925 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383335 XYOPIJHWYYTDEB-QTEAWJPNSA-N 571.004 6.649 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386355 HLPOZUVPBYGQHA-WJOKGBTCSA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389787 IRMKQRYNRPRVHQ-HKBQPEDESA-N 617.485 7.417 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)oc2ccc(F)cc12 101398927 RVIFQVUHMPCLQU-PMERELPUSA-N 615.444 8.204 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 101597588 XQGZRKPQSZUSME-WEMUVCOSSA-N 558.978 6.665 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3F)nc12 102851915 BRYVHMZDIHKITE-AQTBWJFISA-N 540.370 5.035 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(I)c2)cc1 103732813 ARCIRRUJPUDGRS-DGAZYVLHSA-N 565.455 6.194 50 10 KKGE CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)c1C 103846542 SZXUEPRZDASPIK-UVHMKAGCSA-N 547.291 6.019 50 10 KKGE COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105057703 RQJDXLHKCSMRGL-ATZGPIRCSA-N 563.437 6.702 50 10 KKGE O=C(NCCCN(C(=O)Nc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1)[C@@H](Cl)c1ccccc1 108187904 HRXBRITXTGSXIV-NDEPHWFRSA-N 548.470 7.657 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 164636101 MDTKBAMKXAZIIN-JEPNHJGPSA-N 686.506 7.317 50 10 KKGE CCCCCCCCCCCCC/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[P@@](=O)(O)OCC[N+](C)(C)C 204902044 VHUANLHPOICHQL-FPOYQFJESA-O 579.900 7.801 50 10 KKGE COC(=O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O[C@H]2CCCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 206563009 OLKPOVZVIGXVRC-PUPFNBACSA-N 596.881 5.985 50 10 KKGE in-vitro N#C/C(=C/Nc1cccc(Br)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216502598 GELFDVDHPDFTJQ-ATJXCDBQSA-N 501.428 5.202 50 10 KKGE COc1ccc(OCc2cc(C=NNC(=O)c3cc(-c4ccccc4C)nc4ccccc34)ccc2OC)cc1 252608830 HNTRLWFXFGZNDH-UHFFFAOYSA-N 531.612 6.570 50 10 KKGE CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(C(C)(C)CC)c1 254377968 MSBUITIFEPTCBC-UHFFFAOYSA-N 590.834 7.331 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1 254625602 WXGPZXUKNNEEAT-UHFFFAOYSA-N 522.561 5.219 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 254761591 DYLCSYGEKZMQSE-UHFFFAOYSA-N 531.609 6.057 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1OC 254794314 GTBBKKJQVZJSOV-UHFFFAOYSA-N 519.605 5.728 50 10 KKGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(OC)c(COc3ccc(C(=O)OCC(C)C)cc3)c2)cc1 254869956 NVEVBNPABOUVJK-GGVBRLKSSA-N 635.717 6.017 50 10 KKGE Cc1cn([C@@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@@H](CO[P@](=O)(Cl)N(C)C)O2)c(=O)nc1O 616584533 DIRYYUMNQFXZQD-LZIIQSPTSA-N 609.063 5.374 50 10 KKGE Clc1ccc(I)c(COc2cccc(Br)c2CBr)c1 706818089 GOSKONTWBUNYPA-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@@H](C(=O)Nc2ccc(-n3cc(CNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)nn3)cc2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 725238126 DFYPXYLXXBRPOO-YKUVZQNBSA-N 927.617 6.228 50 10 KKGE O=C(COc1ccc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1)Nc1ccccc1 725379913 PXHPQPPQHXCCPH-UHFFFAOYSA-N 509.631 5.901 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 725404162 NQUUBASSIPNEDV-WJOKGBTCSA-N 505.618 6.205 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)c1 725446997 NELFXELLYQCFJQ-UHFFFAOYSA-N 532.641 5.196 50 10 KKGE CCCCN(CCCC)c1ccc(/C=C/c2ccc(/C=C\C3=C(C#N)C(=C(C#N)C#N)O[C@]3(c3ccccc3)C(F)(F)F)s2)c(OCc2ccccc2)c1 888087649 SXFGKYGUYHUANQ-HAFFBKFZSA-N 744.883 11.527 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1083868795 IBTKBOPDEZFUMB-UNPBVTOBSA-N 560.119 6.974 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 1084085651 UXWVXUFALGQVQT-NKSQBKDSSA-N 613.652 5.570 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc2ccccc2c1 1084269568 AECHELYDYQEVFC-UHFFFAOYSA-N 556.425 6.248 50 10 KKGE Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 1084286243 BDZWLPNZCKCSRC-UHFFFAOYSA-N 528.859 7.018 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)OCC 1084390707 COCLXOAYWHSRNR-UHFFFAOYSA-N 521.617 5.887 50 10 KKGE CCOC(=O)COc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 1084450901 RFBZDRINKMHGKV-UHFFFAOYSA-N 560.448 5.921 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1C 1084477469 URJGZEYUBUROPH-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE Cc1cc(NC(=O)NN=Cc2c(Br)c(C)n(-c3ccc(Br)cc3)c2C)ccc1Br 1084588534 WYYFCZDOYGWXQS-UHFFFAOYSA-N 583.122 6.846 50 10 KKGE Cc1c(C(=O)Oc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772746180 RFYWFXAGMAMFDK-UHFFFAOYSA-N 536.209 6.347 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747612 JXZAKFQZCWBSJL-UHFFFAOYSA-N 525.219 6.924 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749447 LJTQJYDXRKEGGV-UHFFFAOYSA-N 555.245 6.690 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2Br)ccc1OCc1ccc(Cl)cc1 1772754303 GOAQQECMXNBYGY-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3[C@@H]([C@@H](Cl)[C@@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 1848435184 OGRRKRDGTDQHQF-PQYADKKDSA-N 579.971 6.375 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1857624843 YWOCDRCHNHTNKI-RQWWHMNSSA-N 567.836 10.237 50 10 KKGE CC(C)(C)[Si](OCCC[C@@H](O)C[C@@H](O)[C@@H](Cl)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1 1857787947 DWJMTSOGEWXIBG-FZPFXXBJSA-N 569.258 6.060 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OCC 1865686863 CUDZJRPJYYDBFN-NDEPHWFRSA-N 514.670 6.297 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OCC 1865687350 PDATUIOEWFFYHP-MUUNZHRXSA-N 538.623 6.533 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2ccc(OCc4ccccc4)c(OC)c2)C(C#N)=C(N)O3)cc1 1865687517 SWMNUXFZIVBKCF-WJOKGBTCSA-N 570.649 6.413 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)ccc1OCc1ccccc1 1865692606 DGAHPBROOPMRBH-VWLOTQADSA-N 546.549 6.395 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)c1 1865694344 UBSYOJRCLZUABM-MHZLTWQESA-N 506.606 5.922 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865703515 ABODRJMBRGGCJI-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706639 BMGOBUMJCIYTGT-NDEPHWFRSA-N 568.519 6.832 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706974 KHCCGXUEFSOOIX-GDLZYMKVSA-N 556.085 6.921 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 1867060561 BKNFLTABFSEARW-GDLZYMKVSA-N 532.625 6.093 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867102401 HEDCSQBEHRUFLV-YWEHKCAJSA-N 549.737 6.976 50 10 KKGE CC(C)C[C@H](C(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)c1cccc(Br)c1 1867209108 FROJQHAZJYJOGO-DQEYMECFSA-N 536.495 6.648 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)c1 1868321280 YFXZIXCSUWJMOH-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(Cl)cc3)CC2)n1 1868341840 AZRJPQIPWZPZEO-UHFFFAOYSA-N 521.134 6.499 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868432897 AAFGADKBADKGOR-VWLOTQADSA-N 539.064 6.060 50 10 KKGE CCc1cccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)c1 1868544431 DZHWGVYZSRFYHX-UHFFFAOYSA-N 563.771 8.368 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752594 KNKGHIXQHOLLMU-ROMGYVFFSA-N 521.554 5.327 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)cc(Br)c1O 1872793006 CQIWFDVDCSBNDR-CAOOACKPSA-N 513.457 7.182 50 10 KKGE O=C(/C=C/c1ccc(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)CC(=O)/C=C/c1ccc(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 1887508307 LGGXAPVDKVCWRW-CFTRLRGZSA-N 915.063 11.468 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(Br)cc(Br)c1 1916383527 KUADTQVQETWBBI-KRWDZBQOSA-N 520.059 5.264 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(S(C)(=O)=O)c2)c1Br 1922885201 OPRSSBBHVWVEGE-NSHDSACASA-N 503.075 5.469 50 10 KKGE Cc1cccc(C[C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585268 JTAXOFJVSOLFNS-VIFPVBQESA-N 517.906 7.023 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1ccccc1I 1925570475 GZFCYADOMWYKOH-MRVPVSSYSA-N 526.846 6.906 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cscc2OCc2ccccc2)c1Br 1939528784 QFPGGDPNWQREMQ-OAHLLOKOSA-N 537.136 7.706 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)ccc1I 2026134299 ZMLRDDLAWNDIOP-LLVKDONJSA-N 550.879 6.670 50 10 KKGE COc1ccc(Cc2nnc(SCC(=O)C(C#N)=C(C)N)n2-c2ccc(Oc3ccccc3)cc2)cc1OC 2042440295 PFEYHZHOZQKVBE-UHFFFAOYSA-N 541.633 5.085 50 10 KKGE ClCCc1nc2cc(Cl)c(Br)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 2049898588 XSLAXULABIJJOA-UHFFFAOYSA-N 531.325 7.326 50 10 KKGE CC(C)c1ccc(NC(SCC(=O)C(C#N)=C2Nc3ccccc3S2)=C(C#N)c2nc3ccccc3s2)cc1 2053622903 UKGYCECQFILSHL-UHFFFAOYSA-N 565.749 7.979 50 10 KKGE Cc1ccccc1[C@@H](N[S@@](=O)C(C)(C)C)c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C 2080776654 QJYMSQMBMNSAOT-NLZDTVHJSA-N 617.795 8.326 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Br)s1 2083331985 FHWKPNJOSGYMHE-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1sccc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085499899 KYVOYMRJTYHCHZ-SNVBAGLBSA-N 582.775 7.591 50 10 KKGE Brc1cccc2c([C@H](Br)Cc3ccccc3I)csc12 2143868860 SPLSYPLKZYICFR-CQSZACIVSA-N 522.043 6.947 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2CC3(C2)CC2(CCC2)C3)c1Br 2157156887 UGLLEBKUXNJTLO-JTQLQIEISA-N 547.976 7.832 50 10 KKGE CCCCCc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 2197259393 WQGYMWVMNAGQDE-INIZCTEOSA-N 528.091 7.332 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(C)nn(C)c2Br)c1Br 2201073828 ONUDOPSJRMZILD-CYBMUJFWSA-N 529.896 6.117 50 10 KKGE CC(C)N1C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216395387 QNYZRLGEEHEYNQ-NKWVEPMBSA-N 510.915 5.607 50 10 KKGE CCCN1C[C@@H](Br)[C@H](c2sc(Br)c(Br)c2Br)C1 2216423025 ZTFDRYXBZNIORD-RNFRBKRXSA-N 510.915 5.608 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1cc(I)ccc1Br 2218801052 QJKQMIKQZQHRDC-GFCCVEGCSA-N 564.906 6.979 50 10 KKGE Cc1ccc([C@@H](C)[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 2232088856 XZRHNLINOUXPSP-LDYMZIIASA-N 531.933 7.584 50 10 KKGE Cc1ccc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2232514264 UMBBRXAPEPHXLQ-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)sc2Br)cc1I 2257368889 KLSSOFMAGJSOFV-NSHDSACASA-N 566.878 6.371 50 10 KKGE CS(=O)(=O)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2257543541 ZSPUGYHPKUQMJA-KGMSYRRLSA-N 545.938 5.295 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)co2)c(C)c1Br 2258117148 HVZLOAKYUJXCOD-ZDUSSCGKSA-N 501.838 6.668 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1scc(Br)c1Br 2264375970 ZFLPOCYXOZFCMW-SNVBAGLBSA-N 509.872 7.073 50 10 KKGE Clc1ccc([C@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1I 2283575859 ZEQYSUVFPWBLKX-JTQLQIEISA-N 500.805 7.886 50 10 KKGE COc1ccc([C@H](Br)c2cc(Cl)c(C)cc2Br)cc1I 2284999163 OSPTXYIBOKJCAB-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Cl)c(I)c1 2288351555 CSNRYAVRTGJPMX-LLVKDONJSA-N 601.248 7.232 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c1 2288494536 IIUSBJJYNYKECY-NSHDSACASA-N 537.793 6.876 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=CC=Cc3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1 2296938556 QYPKVWVGXVGBLZ-UHFFFAOYSA-N 559.673 5.450 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2299535518 PQLDKOMLHCJTQL-HXUWFJFHSA-N 511.051 7.275 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567501 KNJXDIKNLWPNTK-UHFFFAOYSA-N 520.402 5.423 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313570575 ABCQCMBDFYCVJD-UHFFFAOYSA-N 577.218 6.797 50 10 KKGE C#CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 2313570918 IZYGBBVNSXEMFD-UHFFFAOYSA-N 529.015 6.076 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1F 2314433731 ROGOGPUMDRKGEL-UHFFFAOYSA-N 505.553 6.570 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3cccc(C)c3)N(c3ccc(OCC)cc3)C2=O)cc1 2314591632 ACJHUOBNTQXHKI-GDLZYMKVSA-N 539.701 6.801 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592085 LRNGCZIQCRCSLI-RUZDIDTESA-N 518.038 6.112 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593301 KZCBOJSIRFMIRF-CJAUYULYSA-N 562.489 5.761 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593851 UUTWDSFQGLQZRW-DEOSSOPVSA-N 506.027 5.799 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314594142 ZPTDDYUBAYFCCL-NIYFSFCBSA-N 516.066 6.206 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314617328 VZUVYFSTAKLCHY-UHFFFAOYSA-N 570.649 6.214 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314617361 WTUUWOZZNSLCMX-UHFFFAOYSA-N 512.613 6.617 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1 2314617410 XVNJGRLCPOMXHU-UHFFFAOYSA-N 586.648 6.239 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)cc1OC 2314634459 UYTLLKJRVQJPDE-JGCGQSQUSA-N 554.643 6.500 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 2314634492 ZIBFKADUEVEGCX-SSEXGKCCSA-N 520.972 6.969 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccccc5)ccc43)c2)cc1 2314640653 IBJIAJZAEPUXNR-YTTGMZPUSA-N 514.581 6.411 50 10 KKGE CC(C)(C)[C@](C)(CBr)CSc1cc(I)ccc1Br 2327077130 QWAMDUIZNGMIKN-CQSZACIVSA-N 506.085 6.593 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(OC)ccc3OC)cs2)ccc1OCc1ccccc1C 2331450634 IAORAHWPAHJUGS-UHFFFAOYSA-N 512.631 7.178 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Cl 2336083394 JUJNGKQCYRLHHH-OAQYLSRUSA-N 559.523 8.237 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cc(Cl)c(Cl)s2)c1Br 2337083858 FEOIQBGATZIPLM-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2cscc2OCc2ccccc2)c1Br 2339645834 LOEDZODTUFBLMO-IBGZPJMESA-N 516.682 7.497 50 10 KKGE Fc1cccc([C@H](CI)OCc2cc(Br)cc(Br)c2)c1 2362236981 DSYIPTHZXCUJRG-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)c(Br)cc2F)ccc(Cl)c1Cl 2364531990 CHVAWEMOVFYMII-CYBMUJFWSA-N 505.834 7.450 50 10 KKGE CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)ccc21 12491728 LKMJBHBROGKQCB-KEIPNQJHSA-N 516.645 7.128 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1c(Cl)cccc1Cl 38680095 IHYSUSIFNBUWCO-QFIPXVFZSA-N 501.753 5.849 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1 38685466 ISYBZHYOMOTMSC-YTTGMZPUSA-N 518.613 6.775 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 38686583 ANUHTJRXURYXDH-SSEXGKCCSA-N 522.988 6.285 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 40811678 DPCFNUJKMCNZLC-OVVQPSECSA-N 500.780 5.727 50 10 KKGE Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 59304950 FGWGZKOVHMWXHZ-KEIPNQJHSA-N 500.646 7.241 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)ccc1OC(C)C 97914879 ZRSRCNADQLBAOW-MHZLTWQESA-N 519.057 5.769 50 10 KKGE CC[C@H](Oc1ccccc1C)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100110529 RPBKUMPPBPTGAT-SFHVURJKSA-N 550.247 5.057 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 100336546 YMUIUHZATKFKDQ-OCKHKDLRSA-N 546.248 6.567 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccc(I)cc2)cs1 101033936 DUJRFHJEWZJHFH-LFIBNONCSA-N 525.327 6.647 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CC[C@H](CC)C2 101193895 MBWXGTZSIWBDCE-DLEKYWELSA-N 577.024 7.918 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 101334721 NJAUXADXVDCACZ-STBIYBPSSA-N 577.084 7.020 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCc1ccccc1 101367477 LDDOLIWPFBMDIQ-XIFFEERXSA-N 562.622 6.094 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)cc1OC 101368071 SBPMLFUHFXWOJS-HKBQPEDESA-N 556.659 6.736 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1 101378053 GMHBBSPTTHCYBK-JGCGQSQUSA-N 554.687 7.652 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101382639 MWHKKNLEVWZRFT-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383454 ZGDDJZIIWQLHRD-GFJKYASSSA-N 581.068 7.072 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 101384933 CUCVSZKMBIWMQJ-PMERELPUSA-N 587.459 7.408 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccc(F)cc1 101389431 NOQXBQVQDUNFKU-MUUNZHRXSA-N 526.520 5.834 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OC 101395881 IYIDMCIJUXBRTH-GDLZYMKVSA-N 603.140 8.350 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c(OC)c1 102601986 OXDBMWRZUGXISW-TXUYSSMNSA-N 593.463 6.418 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccccc1Br 150402411 QPUXVIOZIDBJPT-QGZVFWFLSA-N 649.539 7.919 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)ccc1OCc1ccccc1 150460080 VVUXUTIWJFVWNP-LJAQVGFWSA-N 629.521 8.233 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4F)c3)C2=O)cc1 150498003 GMRYFUOYIPMULT-PPOKSSTKSA-N 638.699 7.101 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1OC=C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O)(c1ccccc1)c1ccccc1 195814853 CWKMLPNAHWLONH-SBPNQFBHSA-N 622.954 5.782 50 10 KKGE C[C@H](Br)[C@H](Br)C(=O)OCCCCCCCCC[C@H](Br)CBr 205990549 HCPKWZMVGKDCSX-IHRRRGAJSA-N 557.987 6.356 50 10 KKGE CCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OCC)cc1OCC 206692921 YUBMLODIUNZMCD-LKFJRZABSA-N 530.577 5.318 50 10 KKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(OC)c1 207141612 VCDRWLDIGZWBEL-CLCOLTQESA-N 526.633 5.829 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCCCC)C(=O)C(C#N)=C2C)cc1C 214240138 DDFONHNXTCVTOD-RRAHZORUSA-N 534.660 6.585 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1F 214309778 UBPJLZWGOPYVOA-HAHDFKILSA-N 506.574 5.211 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2Br)c(I)c1 236263045 RAWIXLVFQAXHCO-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253570972 OIMDLWNOXKWLIU-SBUWOATQSA-N 571.755 5.047 50 10 KKGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624514 CXEJHJXCKOQGRK-BRCMCKKMSA-N 618.771 5.452 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 254506861 JRTHJDOMBJPPSL-UHFFFAOYSA-N 549.608 5.624 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)cc1 254515527 HOCAVDDQQKNPFN-UHFFFAOYSA-N 527.646 5.304 50 10 KKGE CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN=C3C[C@@H](c4ccccc4)Oc4ccccc43)cc2)cc1 254566287 IRTFTTNSYPAMPP-LJAQVGFWSA-N 541.629 5.544 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2I)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254847951 FLJRGPHUNCLEDG-HYMXWBNZSA-N 621.456 5.493 50 10 KKGE CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](CCl)COC(=O)CCCCCCC/C=C/CCCCCCCC 256109247 LIBNDJOBAGMROQ-YCHVGIEBSA-N 637.430 12.531 50 10 KKGE C[C@@H]1CCCN(C(=O)c2ccc(I)c(Br)c2)[C@H]1CCBr 721614347 AQGZNCRPEUAEMA-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1Cl 725437422 HAYDLNYTXHPBHV-YBFXNURJSA-N 511.803 6.544 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)C[C@H](Cl)C(O)(O)C(=O)CCCCCCCCCCCCCCCCC 888085317 KWICQUBSDWEUQG-QNGWXLTQSA-N 643.478 12.326 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1083894237 NSUGLWBBCXOCPL-UHFFFAOYSA-N 719.057 7.850 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc(Br)c1OCc1ccc(Cl)cc1 1083906214 BTCDAHUINLNITF-UHFFFAOYSA-N 572.887 5.286 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084132703 VMMKUJDFOUEXKA-UHFFFAOYSA-N 560.492 5.985 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccccc2C)cc1 1084161527 SZEJTYFMIVZNNQ-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084261218 YEYDVSCDNSMDOT-QHCPKHFHSA-N 589.870 5.773 50 10 KKGE Cc1ccc(NC(=O)COc2ccc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1084296790 DLHPTRQPHHMBDY-UHFFFAOYSA-N 619.143 5.628 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 1084358203 JELJKRAGRVJJOY-VWLOTQADSA-N 579.908 6.987 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 1084483343 VRAKDXHUFASFHT-UHFFFAOYSA-N 593.705 6.163 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC(=O)Nc1ccccc1 1084486108 VLANPBJIYQQWRM-FYJGNVAPSA-N 573.447 5.222 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084487117 IUUFGWAMCUZJMN-UHFFFAOYSA-N 585.354 5.687 50 10 KKGE O=C(Nc1ccccc1Oc1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O 1084559985 XILNNNVNFXHZOP-UHFFFAOYSA-N 608.566 7.258 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccccc1Br)CCC2 1772744215 SKBJCPWIBMVQNE-UHFFFAOYSA-N 514.807 6.035 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 1772748370 WOCAPEZOXLCUSK-UHFFFAOYSA-N 551.459 6.009 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688786 ATKJFWSDNBZABZ-RUZDIDTESA-N 541.479 6.604 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704647 ASFIJPAODQXLOM-VWLOTQADSA-N 557.448 6.316 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710155 PSMFTFBHEVYCOQ-SANMLTNESA-N 515.529 5.827 50 10 KKGE CCCC[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866568076 ZPCREUMRNRJXON-JOCHJYFZSA-N 546.743 6.968 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866776042 RRNMWVABGYHLGQ-SVBPBHIXSA-N 531.678 5.778 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866872818 NLNOXDWGKIOTCC-JWQCQUIFSA-N 547.681 5.103 50 10 KKGE CSCC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)Nc1ccc(SC#N)cc1 1866976594 FGVFETBNNTUJEJ-SFTDATJTSA-N 520.518 5.638 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1868300301 AVBOAPXNFWGTCT-DEOSSOPVSA-N 520.687 7.720 50 10 KKGE O=c1c(-c2ccc(Br)cc2)c(C(F)(F)F)oc2cc(OCc3ccc(CCl)cc3)ccc12 1871436773 PDFLDKCDFXGUAH-UHFFFAOYSA-N 523.732 7.559 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 1872749183 GFZCXDZMPRURLV-GYHWCHFESA-N 503.580 5.181 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)C2(Br)CC2)c1Br 1900359748 GVAYBFOZUOVHHO-SECBINFHSA-N 500.225 6.368 50 10 KKGE Cc1cc(Br)cc([C@@H](Br)c2sc(Br)c(C)c2Br)c1 1922896301 DGUBBWLEYPZFPO-LLVKDONJSA-N 517.906 7.137 50 10 KKGE CC(C)(C)O[C@H]1C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568692 KFCJFMFEXCFCML-OOZYFLPDSA-N 539.953 7.065 50 10 KKGE Cl[C@@H](c1c(Br)cccc1Br)c1c(Br)sc(Br)c1Br 1924570219 GORYWLNWCAMFQD-VIFPVBQESA-N 603.193 7.889 50 10 KKGE FC(F)(F)c1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924600395 CWJATMMYRPWDHC-QMMMGPOBSA-N 557.849 7.539 50 10 KKGE C[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605241 OIYHXANYMQGUGW-WUJLRWPWSA-N 523.832 7.060 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1cc(Br)ccc1Br 2033241985 WLRPFCBCANXYED-NSHDSACASA-N 501.842 5.675 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CCCCC2)c1Br 2085495304 PSNULHMUAMZVON-NSHDSACASA-N 568.767 7.753 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)c(F)c1Cl 2136961617 NPUQNBRHNVNKJG-SSDOTTSWSA-N 560.277 7.452 50 10 KKGE CCc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)s1 2141471885 XJGVQJORVOMBHX-ZDUSSCGKSA-N 596.802 7.845 50 10 KKGE Brc1cc2c(cc1[C@H](Br)Cc1ccccc1I)CCO2 2143868066 KCTLTVDGYXINPK-CYBMUJFWSA-N 507.991 5.667 50 10 KKGE ClCc1nc2ncccc2n1-c1cc(Br)c(I)c(Br)c1 2176007394 LDRJHJJYSGMXJM-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cccc(C)c1I 2203828608 FZXMFGQQRXTKFI-CQSZACIVSA-N 510.007 6.163 50 10 KKGE Fc1cc(Br)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206398932 AJTDYRWOOYXRPE-NSHDSACASA-N 659.605 8.123 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CCCOCC2)c1Br 2206400799 SKAFWBASUHCXDG-BDAKNGLRSA-N 598.793 7.379 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2ccc(Br)cc2I)cc1Cl 2207270298 AIMQPKIAJLLIJR-CQSZACIVSA-N 506.392 6.697 50 10 KKGE CC1(C)CC[C@H](c2sc(Br)c(Br)c2Br)C[C@H]1Br 2216420356 MRAXSKMANVTCIB-NKWVEPMBSA-N 509.927 7.093 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2c(Br)sc(C)c2C)s1 2233008885 LCCUILNFFRAAGK-GFCCVEGCSA-N 503.119 6.972 50 10 KKGE Brc1cccc(Br)c1[C@H](Br)c1ccc2c(c1Br)CCO2 2238064304 XSGHXAIESUZUOH-OAHLLOKOSA-N 525.860 6.393 50 10 KKGE C[C@](CI)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250382791 GAEHPTDPRDSODB-FXAWDEMLSA-N 500.218 5.390 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)c(Cl)cc1Br 2255970419 UVZNNHBDXLIBIS-SNVBAGLBSA-N 542.287 7.312 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Cl)c(I)c2)c(C)c1Br 2268286765 BUWDEYCOPVIQTQ-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1I 2269541776 JCORGBDRRBTGEE-AWEZNQCLSA-N 607.849 6.151 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277945929 ADZQVFPFOPUSOS-ZDUSSCGKSA-N 562.840 6.634 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2279047818 PDRXECJIAKJQSD-CQSZACIVSA-N 550.843 6.853 50 10 KKGE C[C@H](Br)CN(CC(C)(C)C)C(=O)c1ccc(Br)cc1I 2288075867 QLGQDBQMZNUYJU-JTQLQIEISA-N 517.043 5.325 50 10 KKGE COc1ccc(C(C#N)=Cc2cc(Br)c(OCCOc3ccccc3OC)c(OC)c2)cc1OC 2293512372 WUDWQWIEEFJISR-UHFFFAOYSA-N 540.410 6.005 50 10 KKGE Clc1ccc(Br)cc1CO[C@@H](CI)c1ccccc1Br 2295174411 YOSOYQBLNPCKIQ-HNNXBMFYSA-N 530.425 6.558 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(C(C)C)cc2)cc1 2297100603 RAUIUVJSUPRDLT-UHFFFAOYSA-N 517.073 6.231 50 10 KKGE N#CC(=C(NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Cl)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2297327664 JVTRVFPILNUSDJ-MHZLTWQESA-N 614.554 7.887 50 10 KKGE Cc1ccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2ccccc2F)cc1 2297486427 MJOASKRDYHFRGH-UHFFFAOYSA-N 504.631 5.138 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297642431 DSFGYHDOOABSRG-UOVQKNALSA-N 672.222 5.917 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 2313518587 KGWAGRHAFHAFGU-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE Clc1c(Br)cccc1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314448946 MADIOMPMPJQPCR-IBGZPJMESA-N 501.045 7.772 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314449360 PMSNYOAJSPKMPQ-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1C 2314592353 RQKQJWXFVGHLHK-XMMPIXPASA-N 532.463 6.131 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593905 VWCAHIHIPGBMQK-BCHFMIIMSA-N 560.517 6.315 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OC 2314634355 HPKAHBIVVRZZOJ-HKBQPEDESA-N 559.062 7.145 50 10 KKGE FC1(F)C[C@@]1(CBr)COc1c(I)cc(Cl)cc1I 2326808647 OBFMRZIZBKMDBQ-SNVBAGLBSA-N 563.345 5.348 50 10 KKGE CCN(CC)c1ccc2c(O)c(C=Nc3ccc(CC(=O)NN=c4c5c([nH]c6ccccc46)CCCC5)cc3)c(=O)oc2c1 2333294352 RSKDYQUBLFFWPM-UHFFFAOYSA-N 589.696 5.630 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2csc(Br)c2Br)c1Br 2337086373 KZSJYCOCQDZNQB-SECBINFHSA-N 576.732 7.919 50 10 KKGE BrC[C@H](CSc1cc(I)ccc1Br)c1ccccc1 2338310066 GBYXWWSLHZWEQP-GFCCVEGCSA-N 512.048 6.325 50 10 KKGE C[C@@H]1CCC[C@@](CBr)(Cc2ccc(I)c(Br)c2)CC1 2349865391 QPCZAWKARQSUDL-WBMJQRKESA-N 500.056 6.578 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Cl)ccc1Br 2365188460 LNBOEWHAAGJBSL-CYBMUJFWSA-N 505.834 7.403 50 10 KKGE Cc1c(/C=N/NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 2067156 BMAJEVFWGDPFGZ-BWFCQXDWSA-N 518.642 5.981 50 10 KKGE O=C(Nc1ccccc1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 3143385 LIWFNRAGVIOAPC-QNEJGDQOSA-N 542.575 6.438 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 3255534 QHGMQJAQQPBNMY-QGOAFFKASA-N 501.302 6.593 50 10 KKGE O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 6474218 DPMAIZMCIHWYPQ-SBWWSWLISA-N 572.668 7.430 50 10 KKGE N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1 33889313 PDKCUGJUAWVQFS-KAMYIIQDSA-N 507.449 6.018 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38684301 QITJFSDGJLFYCN-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCCC)c2)c1 38685214 ZZHLSMOOPXSDLQ-LJAQVGFWSA-N 512.606 6.482 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)N5c6ccccc6C[C@H]5C)c(C)c43)coc2c1 40826893 LAEWZSYMLUXOKL-JBQGOVATSA-N 509.606 5.942 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc(Cl)cc1Cl 100061939 FIYCIVCEABKKBG-PGGKNCGUSA-N 531.031 6.201 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 100235584 WOZRXEWGKDEQKM-XSKYCKKESA-N 590.858 5.952 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242226 YGYCKROSYOMMHW-FYAMCCBRSA-N 539.579 6.164 50 10 KKGE COCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 101335338 HORCCAADHZHWIV-RDRPBHBLSA-N 579.056 6.010 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1C 101339667 LBHNRLUFFZHVEG-OGLMXYFKSA-N 586.648 6.158 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)C2=O)cc1 101340122 CZUOMQRKYGMPGV-MTDXEUNCSA-N 593.481 6.145 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1cccc(Oc2ccccc2)c1 101369478 NMKNAZAPDMSLJU-QHCPKHFHSA-N 580.465 6.377 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OC 101372421 WLCQEWDEQBCUEF-HKBQPEDESA-N 542.632 6.029 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)c1 101375828 QIGHBADERBFCJD-HXUWFJFHSA-N 546.448 5.373 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccc(C)cc1 101387612 KEMLODHOMLKBQI-WJOKGBTCSA-N 532.596 6.410 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OC)c2)cc1Cl 101390386 XLOLUPDDFAZCOM-XMMPIXPASA-N 525.388 6.228 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101394908 FXJYYVZJOOJOLA-OAQYLSRUSA-N 573.910 8.021 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399809 PUVCIPVYUPJMKE-YTTGMZPUSA-N 625.052 7.949 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 101405890 UYRZRJPYRWYZRN-NQWDTQFISA-N 618.715 5.243 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602105 YJLIAILIAPITOK-UQRQXUALSA-N 557.994 6.103 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1Cl 101611966 JEHGTKQSUVTQCN-NDZAJKAJSA-N 534.827 6.345 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 102666352 MSAVHHMZKKJNAI-XYZDCVNTSA-N 566.466 6.235 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccc(C)cc3C)c2C)cc1 103725233 WQINMNAYVRDCGS-WEMUVCOSSA-N 502.703 7.389 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 103742215 XJSXGDGPFBMSLS-ZUGOUDHMSA-N 563.293 7.365 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(I)cc1 103880859 LPKVOYVVBQWRKD-WKULSOCRSA-N 615.265 6.871 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105065539 JUUTVRFBVJXTBJ-KPGMTVGESA-N 537.374 6.695 50 10 KKGE CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 142436746 JJVGDHJKTUMCKC-OBGWFSINSA-N 532.522 6.349 50 10 KKGE CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)[C@@H](Cl)C(=O)Nc1cc(S(=O)(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)ccc1Cl 150341853 WCFXEOZOWGNXIO-DIPNUNPCSA-N 819.845 10.606 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1 150430094 KNBBQVQCCYKYGJ-XIFFEERXSA-N 645.539 7.791 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150432010 SIIZQCROWRPQGI-WJOKGBTCSA-N 641.120 8.417 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150442522 JJZQWMMZAAVGOL-ADHDEERNSA-N 830.844 5.355 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccc(Br)cc12 150482999 XAUDSYOXPNHWSL-SSEXGKCCSA-N 625.450 7.659 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150483015 WWKLASFLPHIFSS-HHHXNRCGSA-N 702.830 10.185 50 10 KKGE Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(SSc4ccc(N5C(=O)c6ccc(C(=O)Nc7ccc(C)cc7C(=O)O)cc6C5=O)cc4)cc2)C3=O)c(C(=O)O)c1 163976726 WRGKMRBKPKBLLL-UHFFFAOYSA-N 862.898 8.605 50 10 KKGE C[C@H](Br)[C@@H](Br)C(=O)OCCCCCCCCC[C@H](Br)CBr 205990595 HCPKWZMVGKDCSX-MELADBBJSA-N 557.987 6.356 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OCC)cc1 206727850 DEYIKHWEKRYMHH-TYNPDKIBSA-N 525.561 5.203 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1N 210355887 XGPDFZUJNISNHI-VJBWXMMDSA-N 600.038 7.047 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 214261067 SSQKYFULYULIFV-FJXFDBCWSA-N 542.639 6.509 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 214405753 CABGQOAPEXUSPD-YKQZZPSBSA-N 538.582 6.624 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 253530306 ZODHPXNJFNZLJV-UFDQWYSXSA-N 597.722 9.946 50 10 KKGE biogenic CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2OCC)cc1 254449176 DRSDQWUYXXKNGH-UHFFFAOYSA-N 552.627 6.355 50 10 KKGE CCOc1cc(C=NNC(=O)COc2cc(C(C)C)ccc2C)ccc1OC(=O)c1ccc(OC)cc1 254479297 CWQGVEYJZPNZAN-UHFFFAOYSA-N 504.583 5.274 50 10 KKGE N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NN=Cc1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3 254506106 JWWQZKQLMZYFMN-UHFFFAOYSA-N 603.660 6.768 50 10 KKGE O=C(NN=Cc1cccc(OC(=O)c2cccc(Br)c2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 254730423 RKWRWRLZRJIFTA-HYMXWBNZSA-N 574.456 5.651 50 10 KKGE CC1(C)[C@]2(C(=O)O/N=C3\C[C@@H]4CC[C@@]3(C)[C@]4(C)CBr)CC[C@@]1(C(Br)Br)[C@H]2Br 256020110 YPMAEAXWRRXLMA-YIHWQIQFSA-N 633.057 6.793 50 10 KKGE Brc1ccc(C[C@@H](Br)c2cc(I)cc3c2OCC3)cc1 312242414 AMZSCMIZFRXWHB-OAHLLOKOSA-N 507.991 5.667 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](c2cc(Br)ccc2Cl)[C@@H](CI)C1 382695590 QWRHFQWTULWBTJ-GWCFXTLKSA-N 500.602 5.488 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586837 HODUUTHQNQITGS-XJXVQSSDSA-N 779.062 9.261 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 616588234 LAVSLNMQPNHPSL-NZSOEPQDSA-N 697.001 9.876 50 10 KKGE N#C/C(=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 1083879194 VIRFDXIHMSNBPR-SXGWCWSVSA-N 536.640 7.534 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1083968546 QBLFFGRACBYCMD-UHFFFAOYSA-N 537.084 8.128 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 1084069348 COJRKLSWMCVIGB-UHFFFAOYSA-N 579.122 5.719 50 10 KKGE C=CCn1c(CCc2ccccc2)nnc1SCC(=O)NN=Cc1ccccc1OCc1ccccc1Cl 1084091232 NIDUXXPARXRBBS-UHFFFAOYSA-N 546.096 5.724 50 10 KKGE CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NN=Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 1084114538 NDNHKFBKEJTLIV-UHFFFAOYSA-N 505.618 6.579 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(C)cc1 1084145485 MFDDVENUPOMRAJ-WSDLNYQXSA-N 552.412 6.350 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 1084207054 WBFOKNATKRLIDW-UHFFFAOYSA-N 564.483 7.558 50 10 KKGE COc1ccccc1N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 1084451619 JIQLPCMTWACZDF-UHFFFAOYSA-N 579.678 5.773 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1Cl 1084486517 IQEQEGISTLUUIH-UHFFFAOYSA-N 552.856 6.635 50 10 KKGE COc1cc(C(=O)NN=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc(OC)c1OC 1084636384 CKXBUCPQWWHZRV-UHFFFAOYSA-N 524.580 5.145 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744960 NPQVLLZEDSVWMS-UHFFFAOYSA-N 536.548 6.634 50 10 KKGE Cc1cc(C)cc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772746789 HEYUMQZWXXHQBC-UHFFFAOYSA-N 507.406 5.447 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)c1 1772748104 IKHRASSNEFJRIS-UHFFFAOYSA-N 537.616 5.846 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OC(C)C 1772755250 XHJYKQPFGNKTJQ-UHFFFAOYSA-N 534.501 6.001 50 10 KKGE CCc1ccc(OCCCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 1772755387 DVRQZDJGDQYNIH-UHFFFAOYSA-N 518.455 6.324 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 1772755421 GZODWEFUROEZNV-UHFFFAOYSA-N 542.268 5.491 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCc1ccccc1 1865687267 NGCJDTOOBJLZOM-NDEPHWFRSA-N 527.584 5.740 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1OCC 1865691481 TYDSVIVWZSMQSW-SANMLTNESA-N 571.475 6.707 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc1OCC 1865691662 XZTPZIKOROKXOG-MUUNZHRXSA-N 536.632 6.262 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccccc1 1865692896 GNHMZUPLPMFQFR-NDEPHWFRSA-N 527.024 6.089 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865693441 OOXKWKWXNFRTSI-NDEPHWFRSA-N 520.633 6.320 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1cc(Br)ccc1O 1865697064 WAMNSERTHDFJMF-INIZCTEOSA-N 525.712 5.290 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1 1865706966 KEPNUNSQSXWIBI-GDLZYMKVSA-N 533.676 6.459 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710150 POMKSTDVSHMTNA-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710931 LXCJRKMVKNQIGI-QFIPXVFZSA-N 506.915 6.489 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)cc1OC 1868231593 LSXDJJGICWHWRF-RBBKRZOGSA-N 505.644 5.636 50 10 KKGE C[C@H]1CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@H](C)N1c1ccccc1 1868544388 CWFTYHFGZFVKPR-ZEQRLZLVSA-N 548.760 7.861 50 10 KKGE COc1cc2nc(/C(C#N)=C/c3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)nc(O)c2cc1OC 1872727486 FCBGHAQTFBDXDL-KOEQRZSOSA-N 551.606 6.936 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)c2c(Cl)ccc(Cl)c2OC)n1 1872754059 AKDSWUBEASOLRY-BOPFTXTBSA-N 502.206 7.391 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)CC2=O)cc1 1872755692 AFYDOOLZQCAOPN-RPHWMWBOSA-N 513.707 7.604 50 10 KKGE COc1cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc1OCc1cccc(Cl)c1 1873792695 LLCCVRDXZCCXLA-STBIYBPSSA-N 504.027 5.463 50 10 KKGE Fc1cc([C@@H](Cl)c2c(Br)sc(Br)c2Br)c(F)cc1Cl 1924599724 LABSMCINIFJSPS-SECBINFHSA-N 515.826 7.295 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924604779 HWPJPEAQPVOCNO-FJXKBIBVSA-N 509.927 7.298 50 10 KKGE FC1(F)CC(C[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2014278639 LOSOSGWXHBQNIQ-RXMQYKEDSA-N 517.853 6.907 50 10 KKGE CC[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780456 SQHMUJMMQDLTEQ-DGAHNEANSA-N 554.740 7.219 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2057347023 RXCKJGXTTQBTDH-XSPKLOCKSA-N 521.938 7.298 50 10 KKGE CC(C)(C)c1ccc([C@@H](N[S@@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)cc1 2080758581 DLBHPNHATQGLBQ-XLNFBEDTSA-N 527.714 6.884 50 10 KKGE COc1sc([C@H](Br)c2ccc(I)c(C)c2)cc1Br 2086021168 WRGQDWJCFOPSPF-GFCCVEGCSA-N 502.009 5.917 50 10 KKGE CN(Cc1ccccc1)[C@H]1CCCCN(c2c(CBr)ccc(Br)c2Cl)C1 2112860135 ZFAHGDKFVYOWHT-SFHVURJKSA-N 500.706 6.488 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c1 2146629705 SOKJFHYVHIDINN-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Cc1nn(C)c2sc([C@@H](Br)c3c(Br)sc(Br)c3Cl)cc12 2175243309 LTHORQDRNZNZOS-MRVPVSSYSA-N 519.509 6.667 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2201881626 PPGZFDRQZXJMDX-ZKQGETEISA-N 527.525 5.530 50 10 KKGE C[C@H]1OC2(C)CC1([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206396320 VKKJPDXNXPNNNV-HJVQQPMZSA-N 552.326 6.974 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@H]3CC[C@H](C2)O3)c1Br 2206399646 KBSRHOBRYTZJCG-HZLHGAJGSA-N 596.777 7.130 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2226087506 DOGWRTVTOFYNGH-LBPRGKRZSA-N 617.220 8.197 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cnn(C)c2Br)c(C)c1Br 2227358241 ZGZQCSMRJZUOHT-GFCCVEGCSA-N 515.869 5.809 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1I 2232834589 KWXAHTQUDCYRRP-CQSZACIVSA-N 658.191 7.978 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@@H]1CCN(Cc2ccccc2)[C@H]1C 2234057564 CFDGVYWCNCBTGB-CKFHNAJUSA-N 511.689 6.697 50 10 KKGE O=C(c1ccc(I)c(Br)c1)N1CCC[C@@H](CCCBr)C1 2234190539 GTYWAXCQTAWUCO-LLVKDONJSA-N 515.027 5.081 50 10 KKGE Clc1ccc(I)cc1Oc1cc(Br)ccc1CBr 2259929915 GXKNOKHVAXJTII-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)cc1I 2269547490 USOUKDPJPUVDHD-CQSZACIVSA-N 516.398 6.153 50 10 KKGE Clc1cc(Br)ccc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2277958377 FAGGWCLBCPUQPJ-CYBMUJFWSA-N 532.295 7.306 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2cccc(Br)c2)C(=O)N1c1ccc(Br)cc1 2293198449 RPLNURYOYVEBEW-NRFANRHFSA-N 587.293 5.547 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 2293250237 ZPJGJSJRHLMJFI-UHFFFAOYSA-N 594.584 5.283 50 10 KKGE COc1cc2c(cc1NC=C(C#N)c1nc(-c3cc4cc(Br)ccc4oc3=O)cs1)oc1ccccc12 2295948603 UWAHREVHMGOSJK-UHFFFAOYSA-N 570.424 7.564 50 10 KKGE COc1cc(C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2296088808 QQTHLTUWGNOHLT-UHFFFAOYSA-N 567.048 5.593 50 10 KKGE COc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1 2296506869 JEIQRXOVKBANRQ-HSZRJFAPSA-N 524.429 6.067 50 10 KKGE CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C#N)=Cc1ccc(Cl)cc1 2297456662 UTAMRCZEERYKJI-UHFFFAOYSA-N 515.816 6.553 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1OC 2297465393 KMJJACXKCUITCQ-UHFFFAOYSA-N 507.921 5.969 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521312 FOHDSUQBYGVXEQ-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)OC 2313570715 DSOXFOVLKIPGLQ-UHFFFAOYSA-N 575.186 5.094 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 2313676625 LLDDXDRCZZEIFJ-UHFFFAOYSA-N 517.810 7.380 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(I)c1 2314487639 DIEIIOIOFNAQQO-HXUWFJFHSA-N 576.041 7.256 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)sc2c1CC[C@@H](CC)C2 2314572133 UCXXKJADKAKTAL-QGZVFWFLSA-N 533.606 6.462 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314619080 ZJXLKCXSBOCHKI-MHZLTWQESA-N 550.659 5.654 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 2314619565 BMJOSOKRFVUNAE-UHFFFAOYSA-N 539.422 6.639 50 10 KKGE O=C(Cc1cc(Br)cc(Br)c1)N[C@H](CCBr)COCc1ccccc1 2320354938 QYKVCLPRBJYXIP-GOSISDBHSA-N 534.086 5.241 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(Cl)cc3Cl)n2)cc1OCCC 2331293209 GXKXVEOFTCOQON-UHFFFAOYSA-N 515.462 8.201 50 10 KKGE COc1c(C)cc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)n1 2331371780 JCAMDAQOWIHANQ-UHFFFAOYSA-N 513.619 6.314 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCCCc1ccccc1 2331417141 VXKLGKZIDKOUEE-UHFFFAOYSA-N 506.671 7.773 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(CCCC)cc3)cs2)cc1OC 2331429187 CBRJOOUCXNJMJY-UHFFFAOYSA-N 525.512 8.167 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)ccc1OCc1ccccc1 2331489403 ZQRGUGALOYJIOD-UHFFFAOYSA-N 518.638 8.014 50 10 KKGE CS(=O)(=O)c1ccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2361177583 KJOFMMSPMATMEA-OAQYLSRUSA-N 510.247 5.916 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(Br)c(Br)nn2C)c1Br 2364229068 VFEFJZQAWNDAEN-SNVBAGLBSA-N 594.765 6.571 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)ccc1F 2365185101 HTFBLJKNTPPWNQ-GFCCVEGCSA-N 533.830 7.045 50 10 KKGE CC(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCc2ccccc2)c(Br)c1 10509301 BFQFNZVPULEFOV-UHFFFAOYSA-N 511.416 5.034 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc1OCC 38684036 KYAYEBQKMKJVMS-PMERELPUSA-N 528.605 5.775 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(C)cc2)c1 38686622 HKAUQHPSWLHUCN-PMERELPUSA-N 518.569 6.020 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 38688716 HPSCYCIUZWTSAX-NDEPHWFRSA-N 524.573 6.203 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OCC 38700533 GCPMUOGGKCXEFE-MUUNZHRXSA-N 524.573 6.284 50 10 KKGE CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 38701219 RLGCFBAJUFPNNN-SANMLTNESA-N 514.965 6.539 50 10 KKGE O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc(Br)cc1 59159037 HZWNVQHDNQMESL-QCWLDUFUSA-N 510.391 5.719 50 10 KKGE O=CC[C@@H](C[C@]1(F)C(Cl)=CC(c2ccccc2)=C[C@H]1Cl)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1 95936669 YKZMRPKLINDMDF-PGTSUSQTSA-N 516.396 5.707 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)cc1 100233686 CTXDLVRHKXEKIY-POBUXNOSSA-N 559.432 5.538 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337629 KNGHWCKWGSZISG-SRWDPJRNSA-N 556.666 7.072 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101364908 ALHJCHOYMMDURS-QHCPKHFHSA-N 536.198 6.503 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OCC 101370816 DOJYZLXEPYRKLW-RUZDIDTESA-N 535.940 5.483 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380318 YXFRHLUMVBQVIQ-HKBQPEDESA-N 552.558 5.616 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380914 OOMULQITZDXTKO-JGCGQSQUSA-N 542.566 6.995 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383963 DDNHCZHWNQBENA-PGUFJCEWSA-N 582.631 7.360 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 101386456 NSCVBYAGDKLZNO-JGCGQSQUSA-N 583.040 6.302 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609881 KVTYDYLYHUNIEF-QNUXQYMKSA-N 549.646 6.697 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)c1 101697710 ZEWRCJXEHLLNLG-VCHYOVAHSA-N 563.222 7.031 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@H](CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)C1 101723153 CLFAHWLUPUUKGX-DEOSSOPVSA-N 587.482 6.513 50 10 KKGE C/C(=N\NC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1cccc(NC(=O)C(C)(C)C)c1 102335767 BQCVKEGVYLUZOA-ATZGPIRCSA-N 559.464 6.509 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1 103879348 GLVDINGROQSELY-AMVVHIIESA-N 586.255 7.168 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1C#N 103879552 VMRQYCNKIZCVGX-FDALDRLYSA-N 619.519 7.438 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 103887393 MYLPEDMFJRSWJA-ZDLGFXPLSA-N 560.673 7.298 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 105907035 OWFHZYWKSAYSIO-YVLHZVERSA-N 546.299 6.501 50 10 KKGE CCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920719 KPKQRYXDKNVKBO-IKJVDZQRSA-N 533.281 10.127 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164014040 KKIIWNZWYACVGX-FAIVVOKYSA-N 675.661 5.616 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 205651381 HNNJKYSCGZCYQQ-YDRHHQOTSA-N 540.616 5.847 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)ccc1OCc1ccccc1C 206692274 RYZWTKWNWHCVMK-QSGSRVLRSA-N 548.595 6.018 50 10 KKGE C[C@H]1Oc2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(cccc2P(c2ccccc2)c2ccccc2)O[C@@H]1C 212598782 YWPVXJWTXWXPFK-LOYHVIPDSA-N 608.658 7.418 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214232208 LLJUVMWWZJYHQK-BRPDVVIDSA-N 536.676 6.747 50 10 KKGE COC(=O)c1ccc(N=Nc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 254313477 TVQCFGFZFJVLNW-UHFFFAOYSA-N 501.546 6.508 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3ccc4ccccc4c3)nc3ccccc3c2=O)cc1 254378522 JAQHBVBTNBANJT-UHFFFAOYSA-N 508.603 5.180 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254625659 WBEREZAURONLJW-FVZXVYKPSA-N 560.123 6.714 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024852 IROZDSOIJMGVCC-IZGCWIHOSA-N 812.941 15.172 50 10 KKGE Cc1nn(C)c(Oc2c(I)cc(Cl)cc2I)c1CBr 311397903 GFFZKTYHTKILKO-UHFFFAOYSA-N 567.390 5.278 50 10 KKGE CC(C)C(=O)Nc1nc(O)c2ncn([C@H]3C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c2n1 616584536 DIYUYTIRMXVHPC-CTEYQUCKSA-N 651.822 6.097 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3cc(Br)c(Br)s3)c2O1 720052760 OTTRYYIYVYLEPY-QTTZVWFDSA-N 545.916 6.843 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)cc1 1083960894 MECKVZJMMAWZBV-MUUNZHRXSA-N 595.921 7.197 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Br)c3)c2C)c1 1084040210 KIQVMBSKJHKAFW-UHFFFAOYSA-N 563.359 6.619 50 10 KKGE CCCCC(=O)NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1 1084062071 HHBYVTWIVGTKGS-UHFFFAOYSA-N 604.626 5.705 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)S(=O)(=O)c2ccccc2)c1 1084103857 UUEGHOQSIJYXSH-UHFFFAOYSA-N 528.678 5.365 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Br)cc1F 1084203243 IRSKOXOPDHLFSO-UHFFFAOYSA-N 533.195 6.268 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cc(Br)cc(Br)c1O 1084577558 BLLCIZDMFXKHEI-UHFFFAOYSA-N 616.373 7.427 50 10 KKGE CC1(C)[C@@H]([C@H](Br)C(Cl)(Cl)Br)[C@H]1C(=O)O[C@@H]1Cc2cccc(-c3ccccc3)c2C1 1615216044 DAAAPMWVNHNPEL-XCLNPWKQSA-N 561.141 6.926 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749037 VSUPRQGMYVYMME-UHFFFAOYSA-N 518.913 5.387 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc5ccccc5n3)CCC4)c2n1 1772750892 BNVCTCVCJXMKMK-UHFFFAOYSA-N 504.546 5.682 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865681747 VUOYSFDGBHDDIK-QHCPKHFHSA-N 519.388 6.169 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685747 MGMQXYVVQHACHR-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865689596 UBKTYFBYRVGEEQ-MUUNZHRXSA-N 561.469 6.661 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4-c3ccccc3)cc2)cc1 1865693026 KSHWCJTVTJWPPL-QHCPKHFHSA-N 502.496 5.997 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700208 NEOOVKKTNQMHKO-HHHXNRCGSA-N 501.590 5.923 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1865703638 XPNDZXZGXWYZDX-GDLZYMKVSA-N 575.496 7.051 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 1865703771 FJYLPLGTZQSUGS-MHZLTWQESA-N 565.432 6.492 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705102 MGAPSSDPKRXRLL-MUUNZHRXSA-N 575.024 6.639 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705316 RWJXVHURWGDHJW-JOCHJYFZSA-N 534.469 5.527 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865707843 HLDNPAWZBABHBU-VWLOTQADSA-N 528.996 5.496 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711746 HHVZGOWWFHGDTQ-GDLZYMKVSA-N 560.610 5.945 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866703576 SFESCNHTDWOIPT-URLMMPGGSA-N 552.725 6.038 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)Cc1ccncc1 1867085142 JKOLUOXABUAYGJ-AREMUKBSSA-N 577.682 5.287 50 10 KKGE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867142085 YGUWOMPQVSDTAV-VWNXMTODSA-N 508.043 5.977 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3cccc(F)c3)CC2)n1 1868300319 BBWNDHCKKFBRMD-UHFFFAOYSA-N 538.696 6.663 50 10 KKGE CC(=O)Nc1ccccc1N1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)CC1 1868413851 DEJHZWWUJVKCQQ-UHFFFAOYSA-N 556.095 6.399 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C 1868433829 RQCVTZOHHXKMCI-PMACEKPBSA-N 523.106 6.049 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4cccc(F)c4)CC3)n2)c1 1868505305 GOKNZMXKDZDDTL-UHFFFAOYSA-N 554.695 6.363 50 10 KKGE COc1ccccc1CCN1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)CC1 1868565965 RXSZVTYXQZKAAN-UHFFFAOYSA-N 523.666 5.229 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2c[nH]c3ccccc23)cs1 1872753011 CZAQIIUMEWBTAL-PGMHBOJBSA-N 514.832 7.359 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(Cl)cc3Cl)n2)c(OCC)c1 1872755676 ZOROSRUIKHSEMT-UZYVYHOESA-N 518.422 6.137 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4cc(Cl)ccc4Cl)cs3)CC2=O)cc1 1872758240 RBUDVSAROIAFMC-YEUWRSSNSA-N 512.462 7.305 50 10 KKGE C[C@@H](CCBr)N(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915131716 ZKGNBDAQLURUAF-ZDUSSCGKSA-N 506.609 5.761 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cscc2Br)c1Br 1922894829 OREONIHPVITBLY-QMMMGPOBSA-N 509.908 6.890 50 10 KKGE Cc1oc(Br)cc1[C@@H](Br)c1sc(Br)c(C)c1Br 1922895591 XHZNSKOYQILQFD-SECBINFHSA-N 507.867 6.730 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2cccc(F)c2I)c1Br 1922895718 YNTOBCNNERQWCH-VIFPVBQESA-N 524.418 6.653 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)ccc1Br 1923066181 MONNHXXOVNNAKH-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Cl[C@H](Cc1ccccc1Br)c1c(Br)sc(Br)c1Br 1924608184 FDTHQLUCGBYJAR-MRVPVSSYSA-N 538.324 7.321 50 10 KKGE CC(=O)[C@@H](Br)[C@H](C)c1cc(Br)c(I)c(Br)c1 1938596330 MTEMRUBMRMJRMV-FWOIEVBISA-N 524.816 5.272 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Br)cc1I 1995286741 XWZLRQQAMTZXTO-UHFFFAOYSA-N 551.060 5.870 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1nc2ccccc2s1 2053623341 SJHILWMFIQPSHI-UHFFFAOYSA-N 511.400 7.495 50 10 KKGE FC(F)C(F)(F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494558 DKLHYISCCAYWSZ-ZETCQYMHSA-N 542.184 6.917 50 10 KKGE Cl[C@@H](c1csc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2085496046 OSJBXZHIUUXSOG-NSHDSACASA-N 603.193 7.889 50 10 KKGE ClCc1nc2cc(Cl)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2112700379 WGOIANPWLXMMQF-UHFFFAOYSA-N 545.308 6.662 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)sc2Br)c1Br 2136381954 NEUJSIDISTVDOE-GFCCVEGCSA-N 596.802 7.899 50 10 KKGE CCCC[C@H](CC)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471376 QRGHMIOYKJXEHW-UFBFGSQYSA-N 584.810 8.389 50 10 KKGE Cc1cc(F)cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206406182 WJSOJFIYXMKEPB-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cccc(OCc2ccccc2)c1 2218597333 LQATWYXOMRKSGL-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccccc2I)c(Cl)c1Cl 2224304115 FVDUXNPVIPUVMZ-LLVKDONJSA-N 555.262 7.498 50 10 KKGE CCc1nn(C)c([C@H](Br)c2cc(Br)c(Br)cc2F)c1Br 2233974582 FYDVGNZHSOQUMD-LLVKDONJSA-N 533.859 5.893 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1C1(CCOCc2ccccc2)CC1 2234067356 MPZOGZRRBXNOCT-CQSZACIVSA-N 512.673 6.957 50 10 KKGE O=C(c1cc(Br)ccc1I)N1CCC[C@@H](CCCBr)C1 2234183380 YNNXRCROEHLUTR-LLVKDONJSA-N 515.027 5.081 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)cc1I 2283583627 VRIKSQANXWZZJM-CQSZACIVSA-N 528.409 6.126 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 2293191911 GLLMPBIYQCRSPX-UHFFFAOYSA-N 505.368 5.834 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Cl 2295277384 PRIMBDMOGOJYQV-NSHDSACASA-N 505.834 7.336 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nnc(NC(=O)c2ccccc2)s1 2296556053 XBNCGGVKBYLUBX-UHFFFAOYSA-N 522.340 5.785 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1cccnc1 2296705927 AGOWGEKIWPTHQU-UHFFFAOYSA-N 546.030 6.390 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccccc2[nH]1 2296715296 GXTBJJZMOIXQBO-UHFFFAOYSA-N 534.645 5.654 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518558 JBWPMGDBIDTYSZ-UHFFFAOYSA-N 593.248 7.121 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@@H](Br)c1cccc(Br)c1Br 2314456787 ZVEBXEJHWBIXJR-LJQANCHMSA-N 589.947 8.037 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccccc2F)C(=O)N1c1ccc(C)c(C)c1 2314592566 XTFOJHNTYOPQRI-VWLOTQADSA-N 501.583 5.516 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314621018 YVIHSGTZOZPELH-UHFFFAOYSA-N 540.645 5.197 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634452 UDYXRRNTHBNWHD-WJOKGBTCSA-N 559.062 7.145 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1OC 2314793409 RJEYPBDFWNVLQO-SFHVURJKSA-N 521.708 6.987 50 10 KKGE Cc1c(Br)sc([C@H](Cl)c2c(Br)c(Br)nn2C)c1Br 2316709487 MCMIZNILKINFQI-ZCFIWIBFSA-N 542.316 6.168 50 10 KKGE COc1ccc(C=NNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1OCc1ccc(Cl)cc1 2321721508 TZXNGUBOECJFKB-HXUWFJFHSA-N 502.011 5.025 50 10 KKGE Cc1ccc2nc(C(C#N)=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)[nH]c2c1 2331018347 OAWWLJVJTWTTCC-UHFFFAOYSA-N 513.222 7.584 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)nc2c1 2331046589 XMBZAEDGKZCIJB-UHFFFAOYSA-N 550.354 5.721 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OCCOC)cc2)sc(C(=O)OC2CCCCC2)c1C 2331123725 LKPZCYPWAZECKX-UHFFFAOYSA-N 540.638 5.294 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=Cc2c(OCc3ccccc3)ccc3ccccc23)n1 2331479031 QBCYKGMYRUBKAP-UHFFFAOYSA-N 514.694 9.212 50 10 KKGE Fc1cc(F)c([C@H](Br)c2c(Br)sc(Br)c2Br)cc1F 2336122543 YKCMMWRQQFLNFS-QMMMGPOBSA-N 543.822 6.937 50 10 KKGE COCc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)s1 2338719624 JLSJPWXNGPHXDO-SSDOTTSWSA-N 537.897 5.400 50 10 KKGE C[C@@H]1CCC[C@](CI)(OCc2ccc(I)c(Br)c2)C1 2350055731 NVRCLLYENVKUJQ-ABAIWWIYSA-N 549.028 5.954 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2c(Cl)cccc2Cl)c1Br 2362225010 STVXTWBHFMAKGV-LLVKDONJSA-N 526.252 7.795 50 10 KKGE C[C@@H](Br)CN(C(=O)c1ccc(I)c(Br)c1)C1CCCC1 2368869750 BQPKBMDXXXBBRZ-SNVBAGLBSA-N 515.027 5.222 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(Br)c(C(F)(F)F)c1 2369431603 TYYBPYUBWFJVHD-HNNXBMFYSA-N 509.160 5.568 50 10 KKGE CCCN(C(=O)[C@H](Cl)c1ccccc1)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 16426658 PEWVNASHGBUZOO-IZZNHLLZSA-N 504.030 6.064 50 10 KKGE N#C/C(=C/c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N 29492350 WTMXQQMFXBZRIM-BWAHOGKJSA-N 529.604 5.758 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(C)cccc3C)ccc21 38686110 PFFXAZLACPYMIW-LJAQVGFWSA-N 512.606 6.075 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(F)cc12)NNC(=O)c1ccccc1Cl 39867631 YCXASIJJTPBNAQ-UHFFFAOYSA-N 500.961 5.960 50 10 KKGE Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)cc1 40804604 FLYCPCCGCAWRJT-MUGXBBEHSA-N 505.618 6.209 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813607 INHKQHXZSPEUQS-JBASAIQMSA-N 516.395 6.226 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c(OC)c1 40826941 GPHLCADUYLEWEP-WEMUVCOSSA-N 529.593 5.620 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100209357 NXTDVFRZGMTCCP-UHFFFAOYSA-N 556.482 5.012 50 10 KKGE CC(C)c1ccc(OC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100935239 RAWORKWOGASXDP-ZOCIIQOWSA-N 523.103 6.401 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246158 JHXCNISLSCOQJX-FYAMCCBRSA-N 537.563 6.087 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1 101367467 MYKLYBCBXOYOLQ-UUWRZZSWSA-N 590.676 6.774 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OCC 101370742 OSEJIEHPUDBVLE-PRAQEBQASA-N 542.632 6.198 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381203 WEYSHEBDVZAHHF-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc21 101393563 KAFNFNPVFQHOQF-OAQYLSRUSA-N 602.293 7.417 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(Br)c1 101766945 DQKZPSXEGFCXFQ-OCSSWDANSA-N 559.888 6.562 50 10 KKGE COc1ccc(CCN(C(=O)CCl)[C@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2Cl)cc1OC 102779744 PBFVCUNDPUBXMK-SANMLTNESA-N 539.475 5.687 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 105055274 ZQKRNSWDOJTSCO-RPPGKUMJSA-N 521.198 5.424 50 10 KKGE COc1cccc(N/C(SCc2ccc(C)cc2C)=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 105423033 VWDIYUBIYZPIDO-BXVZCJGGSA-N 531.678 5.769 50 10 KKGE O=C(Nc1ccccc1)/C(NC(=O)c1ccccc1)=C(/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 109375751 YGJQKOXNGFPYPF-HEFFKOSUSA-O 603.682 7.418 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)c1cc(Br)ccc1Br 122331270 XDNWWMFQSGZVTJ-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150429061 ZUAHPLQGAKMQJP-XIFFEERXSA-N 665.540 8.227 50 10 KKGE N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(F)c(F)c3)cc2)cc1 150634445 KDVVXGWQOYOZKY-JZTLMNBPSA-N 630.579 6.167 50 10 KKGE O=C1OC(=O)c2cc(Oc3cccc(N4C(=O)c5ccc(Oc6ccc7c(c6)C(=O)N(c6cccc(Oc8ccc9c(c8)C(=O)OC9=O)c6)C7=O)cc5C4=O)c3)ccc21 164055540 WORISVMBJHDHSV-UHFFFAOYSA-N 784.645 7.286 50 10 KKGE CC(C)(C)[Si](C)(C)OCc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1 200291201 YTTNJAXVCJUWMO-UHFFFAOYSA-N 528.488 5.400 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)/C=C\c3ccc(C(C)(C)C)cc3)ccc21 205655819 RYGSZAQKOVOCBH-RKFDIGNSSA-N 522.645 7.000 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)C1=O 214218617 JIVYPUUNWFGHBD-MIXAMLLLSA-N 546.602 6.260 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214270962 KNVLUIWPMAOREI-QRVIBDJDSA-N 525.565 5.094 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)ccc1Br 234862151 QHIBGGVUIRAKIQ-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)nnc2-c2ccccc2)cc1 254308724 SWFFQXNDYXVJNU-UHFFFAOYSA-N 503.631 6.152 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)NN=Cc2ccc(Cl)cc2Cl)n1-c1ccccc1 254372077 BKYRYPRQXGBIDQ-UHFFFAOYSA-N 559.910 6.390 50 10 KKGE N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N=Cc2ccc3c(c2)OCO3)c1C#N 254387383 OHUVXITXCAMGOS-SYRMPMNNSA-N 527.515 6.687 50 10 KKGE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 254509045 JESBYGMCLITBEO-UHFFFAOYSA-N 591.100 6.078 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 254556668 XFQZKIXNLJBWTH-UHFFFAOYSA-N 587.654 5.186 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)[C@]56CC[C@](C)(C(=O)[C@H]5Br)C6(C)C)cc4)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019788 DPPBQRWZBNPFDR-OVPDYOKCSA-N 762.561 6.714 50 10 KKGE CC1(C)[C@@H](OC(=O)Nc2ccccc2)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 256020014 RIQXORNCRAGFJP-HJSHSUPBSA-N 588.960 6.437 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=C(CC)c3ccc(O)cc3)nnc2-c2ccccc2)cc1 263627837 UWMMZJAGHLYIRA-UHFFFAOYSA-N 501.612 5.061 50 10 KKGE CC(C)(C)OC(=O)N1C[C@@H](CI)[C@@H](c2cc(Br)ccc2Cl)C1 382695595 QWRHFQWTULWBTJ-MFKMUULPSA-N 500.602 5.488 50 10 KKGE FC(F)(F)c1csc([C@@H](Cl)c2cc(Br)c(Br)s2)c1Br 388182511 XYGXTEOLTHTJGI-ZETCQYMHSA-N 519.427 7.444 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(C)=O)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575332148 DGDYJRDKFZTURB-RTZNISIUSA-N 942.140 9.465 50 10 KKGE CC(C)(C)OC(=O)NCCN1CCc2ccccc2[C@@H]1c1ccc(CCO[Si](C)(C)C(C)(C)C)cc1 616691059 DSBNIRNSLKCHKB-MHZLTWQESA-N 510.795 6.723 50 10 KKGE CCCOc1ccc([C@H](Br)c2scc(Br)c2Br)cc1Br 705468082 ZDGHVBVIQSVMEE-LBPRGKRZSA-N 547.932 7.309 50 10 KKGE CC(C)(C)N(CCCBr)C(=O)c1ccc(I)c(Br)c1 721511161 SBDYWDOVVFNWCH-UHFFFAOYSA-N 503.016 5.079 50 10 KKGE Cc1cc([C@H](Br)c2ccc(I)c(Br)c2)c(Cl)cc1F 721615657 SENOXTBZQMLULS-CQSZACIVSA-N 518.389 6.639 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 725427478 OQLBFEOXVONACA-JOCHJYFZSA-N 501.808 5.645 50 10 KKGE COc1ccc(C(OC[C@H](COCc2ccccc2)O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1 888086629 SEHOVDJUHQIQMK-UMSFTDKQSA-N 568.830 8.611 50 10 KKGE COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1Br 1081080157 RGDVTGYZAOOEPM-STZFKDTASA-N 530.447 7.206 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 1084088387 CIBNTPCKDNRYJE-UHFFFAOYSA-N 680.057 8.522 50 10 KKGE CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccc([N+](=O)[O-])cc1 1084128854 DDUQJHLBBPCVQO-UHFFFAOYSA-N 521.165 5.192 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 1084197454 XCUYNMSPSLWXDZ-UHFFFAOYSA-N 586.928 7.115 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=C2C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 1084393620 OONKVISSBMQEGZ-UHFFFAOYSA-N 556.663 6.795 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084531212 FXQCMBYZUSIFGQ-OVCLIPMQSA-N 618.085 8.029 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(I)cc1 1084605070 JGGKZRALEKGEGK-UHFFFAOYSA-N 619.253 6.542 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748376 WORIRDSTDJAJOC-HXUWFJFHSA-N 535.619 6.846 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1ccccc1OCc1ccc(Cl)cc1 1772755115 NZOUZDBCJHKRQG-UHFFFAOYSA-N 528.486 6.938 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684866 ATUQXZLGZQKXSL-DEOSSOPVSA-N 514.988 6.235 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688420 RQAHLIJOIDFUDP-HHHXNRCGSA-N 527.024 5.936 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1OCC 1865688985 GRHBGQHPMTYLEZ-MHZLTWQESA-N 538.604 5.572 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865689244 NFVLZPDYWFZTCV-HSZRJFAPSA-N 513.425 5.816 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865691070 IMEFCIYYTBTFNN-HHHXNRCGSA-N 557.050 6.607 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865691428 RUKPMTALVCWOOK-HSZRJFAPSA-N 555.448 5.801 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccc(F)cc1 1865694331 WSAKIEUDXVCEIC-AREMUKBSSA-N 540.595 5.762 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)ccc1OC(C)C 1865696782 KJGBDRIIEFQOND-AREMUKBSSA-N 527.024 6.266 50 10 KKGE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698225 NVZUBGWCCBPCKR-QFIPXVFZSA-N 553.457 5.745 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2C(=O)O)C(C#N)=C(N)O3)cc1 1865704350 UCIIGRRQCNZFBD-HSZRJFAPSA-N 530.943 5.316 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865707228 RKDJUJQPMCQWSE-HHHXNRCGSA-N 530.459 6.732 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc1OC 1865708911 JAWCFTULLTZZQZ-MHZLTWQESA-N 564.086 5.342 50 10 KKGE COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OC 1865712217 SJPYLHSFMXZRIL-NDEPHWFRSA-N 530.584 5.936 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Br)cc2)[C@H]1c1cccc(OCc2ccccc2)c1 1865712403 XMYCUOKDQQTWAS-QFIPXVFZSA-N 567.365 6.451 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714356 IDQZIXKWWHXWOC-DEOSSOPVSA-N 562.985 5.340 50 10 KKGE COc1ccc(-c2csc(CCC(=O)N[C@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)n2)cc1 1867072219 OJWZODBFCOXOIN-OAQYLSRUSA-N 526.709 5.201 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(CS(=O)(=O)c4ccccc4)CC3)nc(-c3cccnc3)n2)cc1 1868565982 SGYQWCUGLMPGKB-UHFFFAOYSA-N 542.690 5.546 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1OCCC 1872789953 AKYLGGUKNQUCQJ-XIEYBQDHSA-N 524.642 7.671 50 10 KKGE O=C(c1ccc(Br)cc1Br)N(Cc1ccccc1)C1(CBr)CCC1 1915760645 QQSSBSKBNIZLON-UHFFFAOYSA-N 516.071 6.172 50 10 KKGE Clc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924599840 MHUAPBOMZOWSPG-ZCFIWIBFSA-N 572.769 8.021 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cccc3ccsc23)c1Br 1924605583 TYIXEQLOIUBGDB-SECBINFHSA-N 545.941 7.735 50 10 KKGE FC(F)(F)C(F)(F)C[C@H](Cl)c1c(Br)sc(Br)c1Br 1924611978 HWVOPZHQFGEADV-REOHCLBHSA-N 501.334 6.903 50 10 KKGE Cc1cc(Br)sc1[C@@H](Br)c1csc(Br)c1Br 1939455214 CCBIRXBNNBPCRS-ZETCQYMHSA-N 509.908 6.890 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2CCCC23CCC3)c1Br 2053377536 JBIZRNPAKXUQES-VXNVDRBHSA-N 521.938 7.442 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H]2C[C@@H]2C1 2085495423 KPJVNSDHTQMZJI-KFQKYZFCSA-N 522.300 7.063 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(Br)ccc2Br)ccc1I 2086039069 HDXZJFGCCQHCTB-CQSZACIVSA-N 500.399 6.453 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@H](Br)c1cc(I)ccc1Br 2097834929 OULOWSNEWLXRSX-CYBMUJFWSA-N 583.258 7.093 50 10 KKGE Cl[C@H](c1cc2c(s1)CCOC2)c1c(Br)sc(Br)c1Br 2103247090 SZGANLADBQISOV-SNVBAGLBSA-N 507.494 6.498 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)sc2Br)c1Br 2136372858 WJELCMAYVSPFLO-LBPRGKRZSA-N 552.351 7.743 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 2138854809 URLNYHQSIAZUIO-CQSZACIVSA-N 532.295 7.420 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2)c1Br 2141468282 IRZOTJDAUXJDCP-SFHVURJKSA-N 668.843 8.800 50 10 KKGE FC1(F)CCC[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477609 SGJGVZBLWOLHCH-GCXOYZPQSA-N 546.269 7.452 50 10 KKGE CCOc1ccc([C@H](Br)c2cc(I)ccc2F)c(Br)c1 2169667836 JUZSZIGTXBYXBC-HNNXBMFYSA-N 513.970 6.076 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Cl)C1 2182021895 LSYISGRDTLDLCW-DMXGEVFUSA-N 521.418 6.720 50 10 KKGE COC[C@@]1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2206399246 DWUREPTWAXHUBQ-CHWSQXEVSA-N 600.765 6.368 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)ccc1Cl 2206405689 OLSBJTUDLFQPOU-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Brc1sc(C[C@H](Br)c2cccnc2)c(Br)c1Br 2216422833 YBNMQISGKIDBET-ZETCQYMHSA-N 504.867 6.109 50 10 KKGE Cc1sc([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)c1C 2221835906 KVWRATIUDACRNH-MRVPVSSYSA-N 558.380 7.805 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1ccc(Cl)c(I)c1 2256334546 AJFZKZDLJNZQEN-CYBMUJFWSA-N 520.455 6.815 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cc(I)cc(I)c2O)cc1 2295116824 OBYLOEMFEQWMCJ-UHFFFAOYSA-N 742.783 6.022 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccccc3Cl)nc12 2296545484 VCWBFPPACIIBNC-UHFFFAOYSA-N 556.825 5.550 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)c(I)c1 2301795765 WXRPISWXTTUBCN-JTQLQIEISA-N 526.846 6.906 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@]23CCC[C@@H]2C3)c1Br 2312064097 QWCJYFFINIKQHY-AJJMPYILSA-N 566.751 7.363 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2)cc(I)c1OCc1cccc2ccccc12 2313511101 OABBTRAWCDFWIM-UHFFFAOYSA-N 560.391 6.578 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567283 IBLOCWNJFUXVQM-UHFFFAOYSA-N 561.296 7.135 50 10 KKGE Fc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Br 2314449232 OIGHFBKEASVJBG-LJQANCHMSA-N 529.041 7.414 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593947 WHPCDUNSENHWIR-BVZFJXPGSA-N 518.038 5.652 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@H](C)C4)c3)C(C)=C(C#N)C2=O)cc1 2314619738 DMCMQMGEAUABRR-SANMLTNESA-N 675.811 5.803 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646593 DSWWTULHPLGXRN-AREMUKBSSA-N 600.656 5.202 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2338862597 XRWDVNXUJXTWLD-SNVBAGLBSA-N 515.869 5.809 50 10 KKGE C[C@H](c1ccncc1Br)[C@H](Br)c1ccc(Cl)cc1I 2340027142 JQUHATBSHKZRCD-CLAHSXSESA-N 515.414 6.342 50 10 KKGE CCCCO[C@@H]1[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2367612527 XZJAEMKNXMNXQL-RRFJBIMHSA-N 518.027 5.291 50 10 KKGE BrC[C@@]12CCC[C@@H]1N(Cc1ccc(I)c(Br)c1)CCC2 2377334750 MBJVGWYLPXLBGP-HOTGVXAUSA-N 513.055 5.583 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OC)c3)cc2)sc2c1CCCC2 6167418 CTHHVFQJRLEZMR-BVDLXKEDSA-N 593.702 5.381 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc([C@H](C)CC)cc1 14648355 BGIIVIMEOBNDNF-GOSISDBHSA-N 505.453 5.762 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 35518939 ORDPJDJDLSJLCZ-OQLLNIDSSA-N 501.907 6.802 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)Nc1nccs1 35520014 BSLRLXDKWOKANX-LICLKQGHSA-N 509.012 6.010 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 38650889 XXXLJTKQPPKHNO-RUZDIDTESA-N 519.941 5.864 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 38684683 ITNNRDDGZXBRFW-HMILPKGGSA-N 516.569 5.842 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(CC)cc1 40935147 ILVXQUJAHKOUJQ-HAVVHWLPSA-N 502.567 5.229 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 100181875 MEYVUJVZKWNWII-UHFFFAOYSA-N 540.483 5.490 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 100236214 RBDYEYJLOPQANU-OPJDEBTLSA-N 556.413 5.299 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 100238520 SRMHQLZTMCOXRE-RKRAEDNPSA-N 560.647 5.484 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc2ccc(Br)cc2c(=O)[nH]1 101034152 QIRIAVKDEUPSES-YRNVUSSQSA-N 520.692 6.682 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)C1=O 101332552 SYSLEUKCADHSOV-MTDXEUNCSA-N 514.585 5.730 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 101333031 GGNZYYWLCHYFLO-YZSQISJMSA-N 508.622 6.027 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)C1=O 101333304 NUPXRBCRGSIKDB-NLRVBDNBSA-N 510.663 6.434 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101340657 GCCMIMCBVDIISV-ZVHZXABRSA-N 530.983 6.249 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)cc1 101362220 FTQYESHUGSFLIE-NDEPHWFRSA-N 533.024 6.338 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)cc1 101369467 BPNRCDDDKFAZLW-ICACTRECSA-N 546.623 7.193 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101377684 FSXHBADZKXNTGJ-SSEXGKCCSA-N 591.502 7.001 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 101381199 MXFKPHDGUCPATD-HKBQPEDESA-N 587.459 7.083 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4Cl)ccc32)ccc1OCc1ccc(F)cc1 101387073 CKOIOEKGHIHQPE-KQFACYEESA-N 583.015 6.904 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccc(F)cc1 101387258 YFVUXMOEWATVFN-MGBGTMOVSA-N 572.592 7.004 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCCC(C)C 101393297 VGGGQGBLEBMAJB-AREMUKBSSA-N 609.531 8.079 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1C#N 101710619 ORGMMWVKHSGHDO-VFLNYLIXSA-N 538.785 6.072 50 10 KKGE N#C/C(=C/c1c(N(Cc2ccccc2)Cc2ccccc2)nc2ccccn2c1=O)c1nc2ccccc2s1 102687408 VWJVENAYNKSQQJ-PLRJNAJWSA-N 525.637 6.575 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1 103741828 NXALHQQFISUCRH-GUNDDFSMSA-N 550.453 5.373 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 103777471 FFIJQVGTGSOETI-ATVHPVEESA-N 567.450 7.713 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1Cl 103877965 RPEGUFPYSKCCSO-ZSNJKBEMSA-N 584.503 8.111 50 10 KKGE O=C(/C=C\c1ccccc1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 105626956 ZGHWQCQGIIIMCQ-OZIPODGGSA-N 568.427 6.084 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)sc2c1CCCC2 110404718 SRZAQVKJWRPZSB-XMHGGMMESA-N 599.494 6.361 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 150382795 ZIYSDBSHANQENI-BAAUMNHKSA-N 638.256 5.505 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Cl 150419217 XJZAWZMVSMBVPC-MODQRLIRSA-N 639.133 5.508 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433123 CULNXKMNJXCAIP-YTTGMZPUSA-N 651.930 7.827 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 150462913 SWDNNKGABUHBPX-BEMJDZQPSA-N 648.810 6.348 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(I)cc1 164621193 IQGAMIKWMRGPLB-FDALDRLYSA-N 689.981 8.452 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1OC 206540970 SVZACLOBFDYXOE-DIBXZPPDSA-N 594.664 6.246 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C\c1ccc(OCc2ccc(C)cc2)cc1 206745231 FMPLOFLKXKSIKE-NCKNTPFPSA-N 562.622 6.408 50 10 KKGE CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207186751 MYMSZBZVXKTPGA-FWYMBAGYSA-N 548.636 5.047 50 10 KKGE CCCCOc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](CC)C3)ccc1OC 209406822 KIPJIFZQZVLWCY-HJHGFDQJSA-N 510.656 6.173 50 10 KKGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N(Cc1ccccc1)Cc1ccccc1 217254021 YIDOVHTXTGPEDM-PYCFMQQDSA-N 507.375 5.648 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cc([C@@H](CBr)O[Si](C)(C)C(C)(C)C)ccc1OCc1ccccc1 219159108 WENVCHJJGVORAG-HHHXNRCGSA-N 579.768 9.288 50 10 KKGE O=c1[nH]c2cc(Br)c([C@@H](Cl)c3cc(Br)sc3Br)cc2[nH]1 236031167 PTWVJOJFJZIEEN-SNVBAGLBSA-N 501.425 5.533 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1cccc(NC(=O)c2cccc(Cl)c2)c1 254331043 WGQZAFJPXAKILR-UHFFFAOYSA-N 553.449 7.615 50 10 KKGE O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=C/C(Br)=C/c1ccccc1 254348797 GEIFZGOJXTWRNF-QCNVSVQSSA-N 519.424 5.016 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(CSc2ccccc2)o1 254625147 WKTTYAMZQOMMCU-UHFFFAOYSA-N 545.875 7.875 50 10 KKGE CC(C)(C)c1ccc(-c2nnc(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 254634265 SAVZZFAGUHSMIX-ZWDTYRTLSA-N 540.649 6.048 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 254734807 KUMMCPLKYXMCCC-UHFFFAOYSA-N 530.580 6.302 50 10 KKGE CC(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)CCl)CC[C@@]34C)[C@@H]12 254741554 AFPUQLBJNOEKFF-OXIYIZRGSA-N 505.227 8.894 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3ccc(OC(=O)c4ccccc4Br)cc3)cc2)cc1 263632026 HUMBVPZSHGBZQJ-UHFFFAOYSA-N 543.417 6.320 50 10 KKGE CC(C)C(C)(C)[Si](C)(C)O[C@@H](C)[C@H]1C(=O)N([Si](C)(C)C(C)(C)C(C)C)[C@@H]1OC(=O)c1ccccc1 504286228 QLJVMOZIMIABRD-UMXIMWEHSA-N 519.875 7.316 50 10 KKGE O=C(CCC1c2ccccc2-c2ccccc21)N[C@@H](CCSSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 584907689 MRLGLZWZKCSEEM-PXLJZGITSA-N 710.874 7.302 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cn(C)c(Br)n2)cc1Br 698432816 IIVCDDRYSVHYMF-NSHDSACASA-N 501.842 5.500 50 10 KKGE CC[C@@H](Oc1ccc2ccccc2c1C=NNC(=O)c1cccc(C)c1NS(=O)(=O)c1cccs1)C(=O)O 1081159589 OCGAUJFQXPTYQA-JOCHJYFZSA-N 551.646 5.016 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1083983384 CIWGHTVEFBDVRU-UHFFFAOYSA-N 601.729 5.024 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccc2ccc3cccc4ccc1c2c34 1084001090 LPMLDNBCMSHEEO-UHFFFAOYSA-N 538.636 6.469 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl 1084151500 UXKQUAADXZILKI-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE CC(=NNC(=O)c1cccc(Cl)c1)[C@@H]1CC[C@H]2[C@@H]1[C@H](C)C[C@@H]1[C@H]2CCC2=CC(=NNC(=O)c3cccc(Cl)c3)CC[C@@]21C 1084248793 HHBZLPGKWFBREO-GFIGUOQKSA-N 619.637 8.320 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)c4ccc(CSc5ccccc5)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 1084256083 KPIQGNUOSDQYRQ-JGBIIJINSA-N 587.745 7.746 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C)S(=O)(=O)c1ccccc1 1084418389 QHLLSUGSPSBDKM-UHFFFAOYSA-N 544.677 5.147 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2cc(C)cc(C)c2)cc1OC 1084537473 JZHQXPHNKSMJHE-UHFFFAOYSA-N 602.757 5.691 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c2ccc(Br)cc2)cc1 1084591904 WACCOGZTUDWJAS-UHFFFAOYSA-N 669.985 5.774 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1Cl 1084612503 GPEOZPLJQCHDOX-UHFFFAOYSA-N 539.032 5.232 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccc(Cl)cc2Cl)CCC3)cc1 1772749251 JSYYANHDDFTANC-UHFFFAOYSA-N 530.408 5.781 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Oc5ccc(-c6ccc(C#N)cc6)cc5)c(C)c43)coc2c1C 1772751425 BIRHFYWHZNFRRZ-UHFFFAOYSA-N 571.633 7.108 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc(C)c1Cl 1772751767 MDTDRDSXTLTQQU-UHFFFAOYSA-N 533.024 6.840 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680817 WNRFFBDSANRJJU-HSZRJFAPSA-N 518.932 5.029 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccc(C)cc1 1865688098 JHRYCOZXUSEQST-AREMUKBSSA-N 560.576 6.455 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688127 KDEKDHIDARAMFM-YTTGMZPUSA-N 568.677 7.352 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)cc2)cc1OC 1865691895 DNDLMALARHKCBK-QHCPKHFHSA-N 571.903 6.646 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865692228 DEJQIOMCRSZQOF-MUUNZHRXSA-N 543.042 6.782 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694018 TVTAVRMWFBLQNX-GDLZYMKVSA-N 504.634 6.298 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)ccc1OC(C)C 1865696017 BGBVEFNYXHDAHU-LJQANCHMSA-N 504.896 5.558 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865696668 PXBSHYBOJCSWAN-VWLOTQADSA-N 502.615 5.764 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2c[nH]c4ccccc24)C(C#N)=C(N)O3)cc1 1865700564 XMEHYMCAGQKIEV-RUZDIDTESA-N 507.981 5.960 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704661 BDRZMUXKBMKFTC-MHZLTWQESA-N 544.998 6.630 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705850 HDDYAVVOUCRMIZ-JOCHJYFZSA-N 518.360 6.032 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865705921 JJOWCXLGRSELCR-QFIPXVFZSA-N 534.359 5.981 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1cccc(OCc2ccccc2)c1 1865712446 YPFMBYHDPWPNAP-AREMUKBSSA-N 538.529 6.841 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714116 DARZGXLQUJFFGQ-HSZRJFAPSA-N 530.968 5.142 50 10 KKGE CC[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866948994 IQEKXBQBCMJIOV-RPBOFIJWSA-N 524.111 6.464 50 10 KKGE COc1ccc([C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867214491 SWHMMINEPWGSDD-IRLDBZIGSA-N 564.571 6.037 50 10 KKGE CC[C@](C)(NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)Nc1ccc(SC#N)cc1 1867218329 AMVBLEUXFFVJGO-GIGWZHCTSA-N 535.641 5.862 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3CCc3ccccc3)n2)cc1 1868321025 SJDQQIUWEOQYIB-YTTGMZPUSA-N 553.735 8.505 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C)cc2)n1 1868321083 UKPZRYAZVFRLJF-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE COc1ccc(C(=O)[C@@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1C 1868365495 QLKBURXVVGRFKB-VWLOTQADSA-N 521.646 6.629 50 10 KKGE CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(Cl)Cl)ccc3c2=O)cc1 1871385458 UCBQSDYQCCARBX-UHFFFAOYSA-N 505.228 5.490 50 10 KKGE N#C/C(=C(/O)CN1C(=O)c2ccc(Br)cc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745093 BFNLMKVNCXATAL-XDOYNYLZSA-N 520.408 5.540 50 10 KKGE Cc1cc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)ccc1F 1872749802 JEKLVPPMZWENOX-RWEWTDSWSA-N 509.562 6.046 50 10 KKGE COc1cc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)c(OC)cc1Cl 1872754702 DZZGYTLCGCDFMZ-IPNUBFQTSA-N 501.007 7.514 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccc(C)cc1 1872782726 RGTGLBGXNPLYIE-LQKURTRISA-N 506.671 8.039 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCc1ccc(Cl)cc1 1872792562 FTKKPTQTKVVMCZ-ZMOGYAJESA-N 515.078 8.349 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(C)c(Br)o2)cc1Br 1917591945 OJSMPBVFIQMSOZ-GFCCVEGCSA-N 501.838 6.668 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)sc1C 1924583851 PTLYZBWAOQUIQS-QMMMGPOBSA-N 523.935 7.198 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1cc(CBr)sc1Br)Cc1ccccc1 1984650585 YMSFUJJGVZQFBX-UHFFFAOYSA-N 572.388 5.728 50 10 KKGE Fc1c(-n2nc(CBr)c(I)c2C(F)(F)F)cccc1C(F)(F)F 2079261173 YOFRNPXYECHMDV-UHFFFAOYSA-N 516.980 5.549 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 2137640485 PTBWWDQTQYIYLM-LLVKDONJSA-N 554.323 7.182 50 10 KKGE CC1(C)C([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1(C)C 2141470221 FKAJCELWVGJLJE-LLVKDONJSA-N 582.794 7.855 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Cl)c(Br)c2)cc1Br 2202351109 HLNSARDTIRCTSB-CQSZACIVSA-N 503.843 7.011 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)ccc1I 2203829450 JWNLHLBOIZFLGE-CQSZACIVSA-N 574.876 6.618 50 10 KKGE Fc1cccc(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405061 FLYALVDYPAOEHP-NSHDSACASA-N 550.285 7.398 50 10 KKGE O=C(NCC1(CBr)CCCCC1)c1ccc(Br)cc1I 2207274217 ZQXOHKJBUQOJFI-UHFFFAOYSA-N 515.027 5.129 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Cl)c1cc(Br)ccc1Br 2225635899 XPNUYIQQXRPQAA-ZDUSSCGKSA-N 536.258 7.204 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccccc2I)c(C)c1Br 2227350110 VNUTUVXGCKPATK-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(Br)c(Br)s2)c(F)c1Br 2227809165 OSUKQMLSEFSRQM-VIFPVBQESA-N 543.822 6.937 50 10 KKGE CCn1cc(Br)c([C@H](Br)c2c(Br)cc(C)c(Br)c2C)n1 2235608466 JQXXTQLTLDBFKU-CYBMUJFWSA-N 529.896 6.292 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)c(C)c1Br 2235615742 VEEMSAUFUZMYLE-HNNXBMFYSA-N 546.322 7.682 50 10 KKGE COc1ccc([C@@H](Cl)c2csc(Br)c2Br)cc1I 2257357927 ZQTSMWMBYUMPDP-LLVKDONJSA-N 522.427 6.215 50 10 KKGE Fc1cc([C@@H](Br)c2ccc(Cl)c(I)c2)c(F)cc1Br 2268279924 NMSUWYTUKYESSX-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE Cc1cc(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc4ccccc4c3)c2C)ccc1I 2294168609 VBYBWHFRQKGMDM-UHFFFAOYSA-N 531.397 6.706 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl 2294619972 VNJSSBBMAOVUCL-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Cl)Cc1cc(Br)cc(Br)c1 2295279856 SZPNQUBGVUDYSA-AWEZNQCLSA-N 501.871 7.459 50 10 KKGE COC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1cn(Cc2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1 2295389370 BIGHLIPRUKQFGM-UHFFFAOYSA-N 605.116 6.786 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccccc2)c(Br)c1)c1nn(-c2ccccc2)c(N)c1C#N 2296789700 WNXURWPUFVLQKN-UHFFFAOYSA-N 575.264 6.494 50 10 KKGE CCOC(O)=C(C#N)[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccc(Br)cc1)[n+]1ccccc1 2313506105 YGRHOGUIPLPHJO-DNQXCXABSA-O 523.407 5.038 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1cccc2ccccc12 2313511170 RLPHIGGAJKVDTG-UHFFFAOYSA-N 588.445 7.195 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314592492 VMZNMUVBPXQZLX-MUUNZHRXSA-N 509.675 6.800 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592518 WCFLYZGDXKBCOT-VWLOTQADSA-N 536.484 6.929 50 10 KKGE CC(C)c1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@H](C)c4ccccc4)c(=O)oc3c2)cc1 2314750994 JFNBCDQDFOJKDG-HXUWFJFHSA-N 506.558 5.920 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)s1 2317772636 FHCUXVJUSRIHIK-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)cc1OCC 2331408285 SPEQAHHUGWFEEH-UHFFFAOYSA-N 500.620 7.499 50 10 KKGE Clc1ccc(CBr)c(OCc2ccc(I)c(Br)c2)c1 2349809309 QVYOZYBKXIAOAT-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Fc1ccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)cc1Br 2360427274 SXSJUBXFTRKWLA-LLVKDONJSA-N 509.797 7.281 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cnn(C)c2Br)c1Br 2365233711 VGSFWOQNAARQFG-JTQLQIEISA-N 531.868 5.509 50 10 KKGE CC(C)[C@H](Br)C(C)(C)CN(C)Cc1ccc(I)c(Br)c1 2377325766 XQCWDINGYCCKPD-HNNXBMFYSA-N 517.087 5.931 50 10 KKGE BrC[C@@H](Cc1cccc(Br)c1)Cc1ccc(I)c(Br)c1 2377353162 NWITUTBGFNGMFF-ZDUSSCGKSA-N 572.904 6.613 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 3166387 XYQZGAHMYCIPBZ-LUCXWRGYSA-N 549.469 5.225 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl 14768632 WMIFUQAXRWSDJS-HSZRJFAPSA-N 501.410 5.824 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)c(=O)n(-c2ccccc2)n1C 29493399 IZLVTQKHQSPLIF-HFTWOUSFSA-N 641.131 7.115 50 10 KKGE O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1)[C@H](Cl)c1ccccc1 34919441 LSBDIVSPJXIECD-SHQCIBLASA-N 524.086 5.561 50 10 KKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)OCC 40949003 CKIPGOVFKNAABT-CPNJWEJPSA-N 505.552 5.834 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 58893616 KNTVJAVIWSTXHT-TZUJKKSJSA-N 506.342 5.524 50 10 KKGE O=C=Nc1ccc(OCC(COc2ccc(N=C=O)cc2)(COc2ccc(N=C=O)cc2)COc2ccc(N=C=O)cc2)cc1 95851799 QPWBYVOBRMSSQW-UHFFFAOYSA-N 604.575 6.158 50 10 KKGE C[C@@H](Cl)c1nc2cc(I)ccc2n1-c1cccc(I)c1 97353795 DAGZRHXAVLILCR-SECBINFHSA-N 508.528 5.535 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 100049184 ZLDIOZUYKFZQIH-BIFIDLSVSA-N 596.298 6.135 50 10 KKGE CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 100158276 QQUYCMCBILGHNX-PXGAOIJESA-N 536.253 6.643 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100327316 XIEJHHXFFKWPQW-QVISHHADSA-N 573.356 5.030 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 100452479 HRPDZYATXGFFMB-OADPBGPJSA-N 590.268 5.453 50 10 KKGE COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(OCc4ccccc4Cl)c(OC)c2)C(C#N)=C(N)O3)cc1OC 100849368 RVUWMNWGHHMAMF-WJOKGBTCSA-N 614.098 5.876 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246292 OXIOKHXEBXMELR-UZEPBSNMSA-N 562.489 6.221 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246781 JJMWETLZLQYNHB-DBTLDAOKSA-N 602.034 6.831 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)c1 101376236 KVTKGGVLCPUWGC-SANMLTNESA-N 533.968 6.110 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379620 CQQULPXDTPMCIN-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(C)cc1 101387769 SOJNSEPCBVVTAA-MGBGTMOVSA-N 622.674 6.436 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccccc1Cl 101388165 YWHACKDWRFMVTQ-MUUNZHRXSA-N 559.043 6.817 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1 101388506 KUHRHVYTARUCAZ-PMERELPUSA-N 621.904 8.062 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c(OC)c1 101392177 RPEBYYCBHZEPLV-DEOSSOPVSA-N 533.005 6.318 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1)CCC2 101594789 VGFPDOYVJXHZOB-MTDXEUNCSA-N 533.799 5.093 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 101706419 JWNHYNVWXJIQMF-VPUKRXIYSA-N 582.665 7.507 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1O 101766842 LZDPQUYLBNTFOP-VULFUBBASA-N 556.295 5.923 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccc2ccccc12 102933453 NQAQFUUEFJYLEQ-UYRXBGFRSA-N 572.371 6.284 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 103724188 UHGBXQRIIVWYPO-KBTZHFEZSA-N 537.230 6.135 50 10 KKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 103732899 JBJMIZBJOBUGMB-ZUGOUDHMSA-N 528.848 6.712 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(Br)cc1 103796831 AKMRJIITZMTSLS-CCVNUDIWSA-N 572.253 6.699 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1 103816555 KPCXFNHGZSXANK-CIAFOILYSA-N 528.008 7.522 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[C@@H]2CCC[C@H]2P(c2ccco2)c2ccco2)c1 106804785 YLYQEMBYAKXUDN-OWPQXHQJSA-N 502.575 7.229 50 10 KKGE CCOc1cc(CBr)cc(Br)c1OCc1ccc(I)cc1 115901861 DHTIOBDKQNXJDZ-UHFFFAOYSA-N 526.006 5.926 50 10 KKGE CCOc1ccc([C@H](Br)c2csc(I)c2)c(Br)c1 126696059 HABJHSUSMRUMEA-CYBMUJFWSA-N 502.009 5.998 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)cc1 150411071 LUYBCDIXJFOGDB-ARBWBAARSA-N 731.230 6.697 50 10 KKGE COc1cc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150440838 YRCPWUJALDOCGS-WBIBEUCMSA-N 670.516 6.682 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccccc1Cl 150441663 UZIBZWLAYWVHAV-UOUHTQAHSA-N 647.942 8.461 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 150497440 WLJVWDSCFGKOOH-OKCVXOCRSA-N 635.507 7.811 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 150497984 XIPFNCHQHWRHLQ-FDAWAROLSA-N 655.110 7.293 50 10 KKGE C/C(=N\NC(=O)CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C)c1ccc(Cl)c(Cl)c1 150586679 XSJSGHLIOVUTCK-MXEPJHAZSA-N 652.366 7.111 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1C 163420961 BQEUFHKZRTUQNK-DWZKTWONSA-N 635.337 5.595 50 10 KKGE C/C(=C\C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)CO[Si](C)(C)C(C)(C)C 195798328 VTUYIQLTBSOSCD-JNRWFDRFSA-N 552.030 10.410 50 10 KKGE C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@](C)(C(=O)[C@H](O[Si](CC)(CC)CC)C3=C(C)[C@@H](O[Si](CC)(CC)CC)C[C@]1(O)C3(C)C)[C@@H](O[Si](CC)(CC)CC)C[C@H]1OC[C@]12OC(C)=O 205147548 KWOZPKDHVQAPHU-OTGBLBQLSA-N 865.383 9.823 50 10 KKGE CN1C(=O)C2=C[C@@H](Cl)c3c4c5c6c(cc(Cl)c5c5c(Cl)cc(c2c35)C1=O)C(=O)N(C)C(=O)[C@H]6C=C4Cl 215869864 KOMGUSIHEVWNBZ-WPPNPWJKSA-N 558.204 5.878 50 10 KKGE FC(F)(F)c1cc([C@@H](Br)c2cc(Br)c(Cl)s2)ccc1Br 227846115 ALDCMDFBRKGVSG-SNVBAGLBSA-N 513.398 7.430 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1OC 254289083 QLYHXFYWRNWHRP-UHFFFAOYSA-N 524.573 5.574 50 10 KKGE CC(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]2[C@H]2CC[C@H]3CC(=O)[C@@H](Br)C[C@]3(C)[C@H]12 254589464 GXFFJSAUBRBFMJ-OSWDMXJKSA-N 537.623 7.838 50 10 KKGE CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 254751946 PHJUTXPEEKWHJH-UHFFFAOYSA-N 501.764 5.484 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254838733 UWXCRNPVLWKRDU-SFNXGXKKSA-N 513.553 5.643 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254843641 FZYFDNMRQOCOBX-QFIPXVFZSA-N 583.117 6.956 50 10 KKGE CC(=NNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 254872067 PHDSYADKPRBNFH-AZWXHJKFSA-N 582.701 6.112 50 10 KKGE Fc1ccc([C@@H](Cl)c2cc(I)cc3c2OCC3)c(I)c1 383681117 WOYXWGHTHJPWKX-CQSZACIVSA-N 514.503 5.298 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(C=NNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 725389986 JDUJYKDXBBELOZ-UHFFFAOYSA-N 633.048 5.740 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 1083817675 XIJUVZWMRLQMRZ-RAVFNEJUSA-N 834.994 7.822 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(Cl)c1Cl 1084041386 WGEZPOMOLRYHJZ-FLIBITNWSA-N 507.127 6.470 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084140356 IVLHWKGOMMDOLK-VIZOYTHASA-N 510.179 7.564 50 10 KKGE N#Cc1ccccc1COc1c(I)cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc1I 1084183612 ORUWOEODZOQLRK-QHCPKHFHSA-N 665.269 5.310 50 10 KKGE CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084270757 ATHBKLFMIXJHQW-NKQBKRSGSA-N 540.878 7.393 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 1084574327 JNDYXFCWUOGOCO-UNOMPAQXSA-N 526.228 6.645 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)C(=O)Nc4cccc(C)c4C)c3C)sc3c2CCCC3)cc1 1084634620 AXMOXKXJTSMEPT-NLRVBDNBSA-N 562.739 7.758 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 1084636223 YBFWDZQVVIDDCY-DEOSSOPVSA-N 519.400 6.074 50 10 KKGE O=C(CSC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N=N1)NN=C1C(=O)Nc2ccc(Cl)cc21 1088734446 BGKGMBSNGYAUHN-YADHBBJMSA-N 502.987 5.150 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 1614356752 PJJLVQMJVBMKCG-DQWVPQNASA-N 555.315 5.912 50 10 KKGE CCN(C(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Br)cc1)CCC2)c1cccc(C)c1 1772743462 BQSRLUUKPCDDOC-UHFFFAOYSA-N 508.416 5.796 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749813 PLADDVGPJVLIRI-UHFFFAOYSA-N 534.827 6.345 50 10 KKGE CCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665476 KPKQRYXDKNVKBO-OEFAHVHPSA-N 533.281 10.127 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 1865683291 IGNHZKNFVWXMIX-OAQYLSRUSA-N 503.787 6.173 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)ccc1OCCc1ccccc1 1865688095 JDZZHZODVGLDQE-MHZLTWQESA-N 512.997 5.682 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688339 PPWOEKIEDFBYDE-SSEXGKCCSA-N 569.105 7.042 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690583 VSYJVHXJXJTOAN-QFIPXVFZSA-N 557.359 6.995 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700794 DNGKAOYEHKCCAI-GDLZYMKVSA-N 567.476 7.692 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865704995 JWLVZBYZRKSKLX-WJOKGBTCSA-N 556.666 7.092 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OC)c2OCc2cccc(C)c2)cc1 1865705060 LDMXCWGSZCCHDE-HHHXNRCGSA-N 508.578 5.304 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433408 KZUHHSUAVGIYAM-DEOSSOPVSA-N 534.472 7.345 50 10 KKGE Cc1cc(C)c(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)c(C)c1 1872755958 NQPVKWHNIOTFPN-UZYVYHOESA-N 502.552 5.513 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)cc(C)c3OC)cs2)ccc1OCc1ccc(C)cc1 1872794270 SATWTETYFXCDTQ-WSDLNYQXSA-N 517.050 7.741 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1ccc(Cl)cc1Cl 1873498568 VMPNMBXGJDHKEK-IBBHUPRXSA-N 522.432 6.705 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)sc1Br 1902789813 BERPTJOKKFCOCF-GFCCVEGCSA-N 526.088 5.373 50 10 KKGE Fc1ccc([C@@H](Cl)c2sc(Br)cc2Br)c(I)c1 1922941904 PXDXVCPSENNKKQ-SNVBAGLBSA-N 510.391 6.345 50 10 KKGE Cc1cccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924585267 JTAXOFJVSOLFNS-SECBINFHSA-N 517.906 7.023 50 10 KKGE Cc1cccc([C@H](Br)c2c(Br)sc(Br)c2Br)c1C 1924585769 PUPIHBWURCHFNP-JTQLQIEISA-N 517.906 7.137 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2ccc3c(c2)CCO3)c1Br 1924596344 NFENDGLHJALLLM-JTQLQIEISA-N 531.889 6.455 50 10 KKGE O=C(N[C@H](CC1(CCCC[C@H]2CCSS2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952060126 OQOBAUOEYZVXGB-UQBPGWFLSA-N 511.709 6.863 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 2050466377 ACHJQEGYCYPEJK-QMMMGPOBSA-N 633.738 7.264 50 10 KKGE BrCC(CBr)(Cc1cnsc1Br)c1ccccc1Br 2119234250 OFPAQOVZGPSSFK-UHFFFAOYSA-N 532.921 5.938 50 10 KKGE Brc1ccccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471900 XOANDQPNMLOSJN-NSHDSACASA-N 641.615 7.983 50 10 KKGE CC[C@@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141474210 YGUUUKHFNHJZSG-STQMWFEESA-N 584.766 7.132 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2ccc(Br)cc2I)s1 2142277364 OLIYOERPRIBXBT-HNNXBMFYSA-N 514.064 6.798 50 10 KKGE Clc1ccc(COc2c(Br)cc(CBr)cc2Br)c(Br)c1 2144774021 NATFZXIPXWPUCQ-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2cc(Br)c(Cl)cc2F)cc1Br 2167382230 DTKOFLDHKFOLHA-AWEZNQCLSA-N 505.834 7.450 50 10 KKGE CN(Cc1csc(Br)c1)S(=O)(=O)c1cc(CBr)sc1Br 2179792178 CHVGJVSCERDLJK-UHFFFAOYSA-N 524.119 5.050 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(C)C1CC(OCc2ccccc2)C1 2179830943 QOVAZUXRVXOURR-UHFFFAOYSA-N 517.283 5.021 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]2C2CCCCCC2)c1Br 2199986348 FSHNSVNWDRHNAO-CKYFFXLPSA-N 549.992 8.078 50 10 KKGE CS(=O)(=O)C1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206397541 KKPWDVHFWWZELS-LLVKDONJSA-N 618.805 6.140 50 10 KKGE CC(C)(C)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206401995 NLNWQWNOGUQNPF-ZDUSSCGKSA-N 596.821 8.389 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2nscc2Br)c(Cl)c1Cl 2217610115 GCQIONDOBPJVGB-SSDOTTSWSA-N 515.279 7.113 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2cc(Br)c(Br)cc2F)n1 2218598792 WVSPVPLCFKFPRM-SNVBAGLBSA-N 505.805 5.331 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1sc(Cl)cc1Br 2247989170 DWPCBOACTIRPHL-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)O)cc1OC[C@@H]1C[C@@H]1Br 2256395468 ZHXRNCDOSHGCMF-NYHFZMIOSA-N 538.394 5.917 50 10 KKGE Fc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2277893306 ZUBBASOLFOFMKQ-LBPRGKRZSA-N 515.840 6.792 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1F 2288345773 TXPSFKUWZVKQTI-SNVBAGLBSA-N 537.793 6.876 50 10 KKGE Cn1nc([C@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Cl)c1Cl 2288375632 FYLUNQFVMTVJQE-SSDOTTSWSA-N 513.789 6.014 50 10 KKGE COc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1I 2295268313 XJTOIBLYLYBSHT-CYBMUJFWSA-N 530.425 6.347 50 10 KKGE CC1(C)CC[C@@]2(C(=O)n3cnc(-c4cccnc4)c3)CC[C@@]3(C)[C@@H](C(=O)C=C4[C@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2296553637 GXKRPLQWYWDFQN-NEZBWRKBSA-N 618.822 7.805 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)cc1OC 2296647325 XERXEVJRRAVWEZ-UHFFFAOYSA-N 529.980 5.538 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2296725439 NPISTVNNWFCBGO-UHFFFAOYSA-N 500.558 5.340 50 10 KKGE COc1cc(I)cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OC 2313570960 KEBHRFSYNVCPRO-UHFFFAOYSA-N 503.123 5.161 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 2313571097 NHFRALHIWDNGCF-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 2314475782 CCWSXOKMYFMTPT-UHFFFAOYSA-N 552.483 7.363 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2ccc(Cl)cc2)cs1 2314487182 DUJAJDUUWJAQRI-UHFFFAOYSA-N 523.983 5.910 50 10 KKGE Cc1c(Cl)sc(Cl)c1[C@H](Br)c1ccc(Br)cc1I 2314506908 CZTMQBWMJOFPPW-SNVBAGLBSA-N 540.873 7.215 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 2314592795 BVQQROBKBQOKNW-NEKDWFFYSA-N 509.675 6.224 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 2314619927 HEYKLZDQIGBMLA-UHFFFAOYSA-N 556.594 5.013 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 2314643326 QJKUURCXXCBWLT-MGBGTMOVSA-N 578.596 6.259 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccco4)c(=O)oc3c2)cc1 2314739210 WNECLZZIKWARFJ-UHFFFAOYSA-N 512.518 5.007 50 10 KKGE ClCc1ccc(Br)c(Oc2cc(Br)cc(I)c2)n1 2316853279 PYYUXWFZLDOITD-UHFFFAOYSA-N 503.359 5.742 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)cc2)sc(C(=O)OCc2ccccc2)c1C 2329622348 QYIQAWDQXSEBEO-UHFFFAOYSA-N 504.564 5.145 50 10 KKGE Cl[C@H](Cc1cc(Br)cc(Br)c1)c1cc(Br)ccc1OCc1ccccc1 2336038417 NKCFQTHJNMXLJK-HXUWFJFHSA-N 559.523 8.076 50 10 KKGE CS(=O)(=O)c1sccc1[C@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336054705 UJYBAIFKIWOLDW-GOSISDBHSA-N 516.276 5.977 50 10 KKGE Cc1ccc(Cl)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362256437 XDIWETWUYLJIDB-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC)c(OC)c1 38659670 ROJQWZWUGDOJDZ-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC)cc4)ccc32)cc1OC 38660121 STCKNBJLRTUMDB-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccc(C)cc1 40911191 RXGSYUOMHVYACD-KEIPNQJHSA-N 522.645 6.438 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1 59483546 VKRBHGCFTMYEKG-UNOMPAQXSA-N 511.803 6.626 50 10 KKGE COc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)c2ccccc12 100061930 IENJPUYGYVIQKU-UVHMKAGCSA-N 542.227 6.056 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100182098 RNODBOCENGYBJU-UHFFFAOYSA-N 629.415 5.649 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 101034201 GTYWBRQVESVDEO-OQKWZONESA-N 525.637 7.050 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245750 PCXWKXNTTRDNQJ-VWOOYDPRSA-N 552.483 6.766 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1 101337617 BTQDLPCCSNMADZ-VFQMRRCMSA-N 584.720 7.852 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1OC 101368082 PNYGUSSBLLEMOK-HKBQPEDESA-N 534.612 6.855 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OCC 101374127 UDGKZFYKZUHXHT-HSZRJFAPSA-N 604.528 6.162 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCCC(C)C 101375015 FSBBFDACCPDELT-PMERELPUSA-N 588.657 5.973 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)cc1 101377894 VJWCWGLTFWFUOS-PMERELPUSA-N 557.603 6.147 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 101379893 LCVRLXQXYCPQGC-LJAQVGFWSA-N 621.904 8.062 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381368 ZPVNBEWLUYGNDU-YTTGMZPUSA-N 615.513 8.189 50 10 KKGE CCOc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc(Br)c1O 101440057 BTYHTVXYMOXAGI-INIZCTEOSA-N 520.836 5.426 50 10 KKGE COc1cc(OC)c(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])cc1Cl 101494244 OOYPSFGAGIBWCM-UHFFFAOYSA-N 534.960 5.074 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1cc(C)c(C)cc1C 101758278 YWMTVRRFRPENSF-WKULSOCRSA-N 532.691 5.960 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(Br)cc3)c2C(=O)OC)cc1OC 101827555 WDABMZXANBHTQQ-LDADJPATSA-N 555.450 6.226 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccccc2)cc1 102973449 ZGOSOKSXNUFIOM-BHZNVDEZSA-N 566.466 6.235 50 10 KKGE COc1ccc2cc(/C(C)=N\NC(=O)c3ccc(N/N=C(/C)c4ccc5cc(OC)ccc5c4)cc3)ccc2c1 102978765 ZUIFVBHJJBZFJY-VANQDGIVSA-N 530.628 7.000 50 10 KKGE CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)C(=O)C(C)(C)CCl 103101524 OHFBNDOGGPKIJU-UHFFFAOYSA-N 536.038 6.260 50 10 KKGE CC(=C\c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 103810577 XEJZACOQLZHDHW-WWHPCQJGSA-N 608.290 5.401 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1 103884479 JURJQYNRAQFGHU-ZXVVBBHZSA-N 556.504 6.321 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3Cl)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 150411435 KWKJRQBQNMNXAO-ISPANKDXSA-N 701.204 6.688 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=S)NC(=O)c1cc(Br)ccc1OCCc1ccccc1 150418888 CIQSQMDIOFJPCR-UHFFFAOYSA-N 657.384 5.701 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 150429119 KNJFUEFAMDLMIX-ZZJXEYPFSA-N 681.321 5.694 50 10 KKGE COc1cc(/C=N/NC(=O)CCCCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 150440775 AQALZRYIFTYAAH-ADHDEERNSA-N 830.844 5.355 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OCC 205656554 YBCSLOOAXOBGMJ-QDFMTWCFSA-N 552.671 7.009 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214322246 SQPWKKFELLSDGT-MODQRLIRSA-N 536.632 5.408 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 214346947 GBCZMRFSGBNGEY-GTWSWNCMSA-N 570.693 6.718 50 10 KKGE CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)[C@@H](O)OO[P@@](=O)(O)OCC[N+](C)(C)C 223492198 DALKEAUKKXBTQN-PTKADBCRSA-O 554.682 5.018 50 10 KKGE Clc1cc2c(c([C@@H](Br)c3cc(I)ccc3Br)c1)OCC2 236084023 DSPYZKZBWJULTH-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 253568505 LHNUVYMXGRVQNP-SBWWSWLISA-N 620.773 7.808 50 10 KKGE CCOc1cc(C=NNC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 254308046 POVXLGKOLYYAMA-CIRGWDIQSA-N 576.653 5.292 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 254792562 UAEBPEZNOYQSNL-UHFFFAOYSA-N 724.767 5.710 50 10 KKGE CCCCOc1ccc(OCC(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254815380 RSLAMEKMEKIKCK-UHFFFAOYSA-N 574.681 6.826 50 10 KKGE O=C(OC[C@@H]1O[C@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 255999260 RITGYQZMPNVVEG-ALQXIODZSA-N 637.666 5.348 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCC(=O)N1CCCCC1 256028403 JYQOMXJUKMXQOC-UHFFFAOYSA-N 618.579 5.000 50 10 KKGE CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N(C)C1 575232639 KNWRANWQYPIVSF-WCFNVODCSA-N 641.540 5.967 50 10 KKGE COc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237289 CRVALWDOJLKYOK-NZQKXSOJSA-N 522.976 5.892 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(Br)c2)cc1 725423980 NVKYNZNNRHXXIB-RUZDIDTESA-N 604.339 6.462 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 1083993237 GNRVQDFHAJKZSZ-DEOSSOPVSA-N 627.306 6.540 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(I)cc2)c(I)c1 1084359611 CKNGKJVAQBFOMB-JOCHJYFZSA-N 640.259 5.439 50 10 KKGE CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1084549449 NDSFFLTWSSFZLY-UHFFFAOYSA-N 552.996 5.238 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2ccc(I)cc2)c(I)c1)c1cc2ccccc2o1 1084646972 ZCMPISKWECKGGS-UHFFFAOYSA-N 748.096 6.590 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772748628 SCKWGTVKCLYEGG-UHFFFAOYSA-N 541.611 7.879 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680818 WNRFFBDSANRJJU-QHCPKHFHSA-N 518.932 5.029 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OCC)c1 1865688556 VCORNVJCQPEYLL-MUUNZHRXSA-N 520.633 6.464 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865696416 GKIPEVQIBDVGAY-HSZRJFAPSA-N 523.431 5.603 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865696623 OXMCKMPCWVUNTM-WJOKGBTCSA-N 578.713 7.101 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1Cl 1865702775 FBUGBGUWVGNYLP-SANMLTNESA-N 527.024 6.267 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)c1OCc1cccc(C)c1 1865705810 GMLMGMGOHMHWKW-DEOSSOPVSA-N 546.549 6.064 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712049 OQGNGCCWMFOODI-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866998466 YAUUZDNWJQUUKX-SXOMAYOGSA-N 548.064 5.698 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867098322 HSKLJPSZBRRUIA-WXVAWEFUSA-N 519.642 5.990 50 10 KKGE COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)no2)c1 1867144523 WUNSQQGNBQDGNY-QHCPKHFHSA-N 516.554 5.042 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@@H](C)N(c4ccccc4)[C@H](C)C3)n2)cc1 1868527669 FSQQIZDJNHYTER-DHIUTWEWSA-N 536.705 6.963 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 1872745495 PIFMORRVRBQMQW-GYHWCHFESA-N 514.563 5.466 50 10 KKGE N#C/C(=C(O)\C=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(F)c(F)c2)cs1 1872751854 XDURTVDDNNSNDA-UNVHUGASSA-N 506.961 7.827 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2c(C)c(C)cc(C)c2C)cs1)N1C(=O)c2ccccc2C1=O 1872754421 RPAZVMJZEVYMJS-SUBYVBAOSA-N 517.676 6.254 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 1873795365 ZTTYZCGBBZNMEJ-XDRVCWSLSA-N 508.018 5.505 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)ccc1I 1923065388 BPHHZMMKBKJGFJ-QMMMGPOBSA-N 650.193 7.778 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1cc(Br)c(Br)s1 1924033962 WTLUBAYXUDHQSL-KGFZYKRKSA-N 518.894 6.670 50 10 KKGE O=S1(=O)CC[C@H]([C@H](Br)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016683022 XPPUPZMOLABUDY-WIOPSUGQSA-N 501.442 5.715 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012754 KJASBUNXPWZRDN-GFMRDYROSA-N 714.752 12.441 50 10 KKGE O=C(COc1ccc2ccccc2c1)NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2)CC1 2053612805 PIHUBEQJKMIPAB-UHFFFAOYSA-N 502.014 5.438 50 10 KKGE COc1cc([C@@H](c2ccccc2)N(C)[S@@](=O)C(C)(C)C)c(P(c2ccccc2)c2ccccc2)cc1OC 2080760123 JRKPWFKMKYGFTG-YSJGZBICSA-N 545.685 5.945 50 10 KKGE C[C@H](C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)F 2085494672 NCJSKIUVVAKAST-FBCQKBJTSA-N 534.258 7.308 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCCCO1 2085497453 WQSSMSJVZDPAJZ-PELKAZGASA-N 526.288 6.586 50 10 KKGE Cc1c(Br)sc([C@@H](Br)Cc2c(Cl)cccc2Cl)c1Br 2104788059 WUKCJDSMIGXXJI-QMMMGPOBSA-N 507.900 7.567 50 10 KKGE Clc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141469166 SEOXFAVLOLOCTA-JTQLQIEISA-N 593.187 8.433 50 10 KKGE CCC(CC)(CBr)CN(CCCNC(=O)OC(C)(C)C)c1cccc(Br)c1 2163059904 XMYNIYPGEQQOLI-UHFFFAOYSA-N 506.323 6.372 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2cc(Br)sc2Br)c(Cl)c1 2179251226 BTWUWLYFKVXAAJ-JTQLQIEISA-N 513.398 7.430 50 10 KKGE FC(F)(F)[C@H]1OC2([C@H](Br)c3c(Br)sc(Br)c3Cl)CC1C2 2193095197 SFYYCQAKFIPKNL-XHSCVUKGSA-N 519.402 6.472 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)ccc2Br)c(C)c1Br 2235607017 DVFWSZKLWUDSEM-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1cc2sc(Br)cc2s1 2278019216 HZIPQFNSCBBDNL-ZDUSSCGKSA-N 501.490 7.626 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)c(C)c1F 2279160688 YGGZOLVHWFLTCR-CQSZACIVSA-N 532.416 6.947 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)cc1Br 2288359781 ZXAYIGUGMAEPNC-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCC=CCCCCCCCC 2293783471 LVWSCSGKAPKSBZ-UHFFFAOYSA-N 659.137 15.252 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2C)c1 2296506959 MWGBEZMOGIQASQ-XMMPIXPASA-N 522.457 6.675 50 10 KKGE Cc1sc([C@@H](Br)c2ccc(Cl)cc2I)cc1Br 2301795383 FJDHRPFOAOSHMB-LBPRGKRZSA-N 506.428 6.561 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313521515 TVPNOYITTJRVPT-UHFFFAOYSA-N 629.119 8.402 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313545827 IHWVBMOETQOZLO-UHFFFAOYSA-N 547.409 5.192 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)C4=NN(c5ccccc5)[C@@H](N)[C@H]4C#N)c3C)sc3c2CCCC3)cc1 2313565041 NWVYKBFLVZHNGV-RYCFQHDISA-N 599.764 6.803 50 10 KKGE CCOC(=O)COc1cc(Br)c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 2313570778 GAPZXUVUSZMRKP-UHFFFAOYSA-N 542.213 5.642 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 2313630729 FTQUCDSEUCCRMA-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 2314616910 MSQWVKUHLWKOEY-UHFFFAOYSA-N 529.556 5.282 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)cc2C1=O 2331250666 RXZZAIGJDDZRIJ-UHFFFAOYSA-N 514.390 5.699 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)n2)cc1Cl 2331398098 GPCVAEHTLVJKPN-UHFFFAOYSA-N 520.010 6.351 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCC(=O)N(CC)CC)c(OCC)c3)n2)cc1 2331445440 WKJSEJZQYKXMBW-UHFFFAOYSA-N 519.667 6.309 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccccc1I 2335292295 YALARSNOWZTLQL-NSHDSACASA-N 538.807 6.984 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1c(Br)c(Br)nn1C 2338867503 ORLJNWRJNAQJEW-RCOVLWMOSA-N 516.857 5.342 50 10 KKGE Cc1c(COC2(CI)CCN(C(=O)OC(C)(C)C)CC2)ccc(Cl)c1Cl 2339518334 XLHRJULQRZZDPT-UHFFFAOYSA-N 514.231 6.023 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)n(C)n1 2339681263 GAKAZVBTQSAXPC-SNVBAGLBSA-N 519.832 5.639 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@H]1OCc1cc(I)ccc1Br 2341837498 LJKRLNCMTIGISL-UONOGXRCSA-N 502.028 5.913 50 10 KKGE Brc1cc(CO[C@H]2CCCCCC[C@H]2I)ccc1I 2350067546 DVBUJATUWOXBOA-CABCVRRESA-N 549.028 6.097 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1OC[C@@H]2CCC[C@@H]21 2358470942 WXCPCNKYMXBMLH-ZUVKVVCWSA-N 552.326 6.832 50 10 KKGE CC(C)c1cc(Br)cc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2361173692 VCRKPLMJHPLMGW-HSZRJFAPSA-N 553.132 8.398 50 10 KKGE COc1cc(Cl)c([C@@H](Cl)c2ccc(Cl)cc2I)cc1Br 2365596107 RCWRUERWYNSAJW-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)OCC)cc2)cc1OCC 6167412 XXZXTADHJPLQAO-AMBXXVILSA-N 595.718 5.899 50 10 KKGE CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccccc1OCc1ccccc1 14668283 BIDKBQWNTSRCIC-UHFFFAOYSA-N 511.416 5.166 50 10 KKGE Cc1sc2nc(SCC(=O)N/N=C/c3ccco3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 19651020 LBDZEHZLFIVDEX-JFLMPSFJSA-N 500.605 5.258 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 29491710 STRCUHQSNWWRDF-XHLNEMQHSA-N 574.728 5.688 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC 40911818 QHTKLGPRLQBWAI-RWPZCVJISA-N 519.480 6.099 50 10 KKGE CC(C)CC(=O)N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccccc3)N2c2cccc(Cl)c2)CC1 97637634 JQEGUEIJYZUEJP-SLEBQGDGSA-N 507.059 5.344 50 10 KKGE C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1cccc(Br)c1 100066467 RTBUHDZYMRMEAN-JVWAILMASA-N 585.325 6.092 50 10 KKGE Cc1nnc(SCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3OCc3cccc(F)c3)cc2)s1 100151219 KRTYCIQNOKWRKG-XODNFHPESA-N 571.497 6.383 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1CSc1nc2ccccc2o1 100185638 KHKZJJRGKLOCQP-KYHGBAKBSA-N 595.637 6.362 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 100232208 BKIUZSBZEWIUID-NRFCLKMUSA-N 535.855 6.588 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 100236136 XDTOIMBJWVVYCQ-PCYMAAINSA-N 589.870 5.742 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 100236790 HAFSMSJLPBYKQG-BIRDKGHYSA-N 570.300 7.242 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)Nc1nccs1 101083807 ZPRZLRIJACYIHY-RQZCQDPDSA-N 519.564 5.265 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C(C)C)cc2)cc1 101246056 QMPGRLMITIUCJR-IYQUHZLLSA-N 584.063 7.856 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101336935 SLWVQONSGJJOGD-JCFYCSFDSA-N 514.585 5.464 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379444 NVJJWDZYDOYERT-MUUNZHRXSA-N 553.958 6.265 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccccc1Cl 101385720 UMAXVENTFVCRNN-HKBQPEDESA-N 614.010 6.038 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1Cl 101393956 UHPOANRJSXYOOH-DEOSSOPVSA-N 527.379 6.749 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCC(C)C 101395571 IIIPSOUKMRSDLD-LJAQVGFWSA-N 573.045 7.184 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccccc1F 101399427 KJRIVRSASVZPML-XIFFEERXSA-N 604.634 7.522 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612215 YOOPYDBRLJXATG-KVQDIILNSA-N 588.447 6.888 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 102666161 GLPFJGDXKDLNCE-GUNDDFSMSA-N 576.472 5.691 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C(=O)O)cc1 103796250 UVPGRCSNZFXBNA-CCVNUDIWSA-N 537.366 5.635 50 10 KKGE COc1c(Br)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 103880167 MTPQCJCIMPUIBM-LQKURTRISA-N 533.382 5.896 50 10 KKGE O=C(Nc1cc(NC(=O)c2ccccc2)cc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)OC4=O)c2)c1)c1ccccc1 105685012 WISIUWBYIARWPA-UHFFFAOYSA-N 597.583 6.546 50 10 KKGE BrCC(CBr)(Cc1sccc1Br)c1cccc(Br)c1 118671851 HNLCNCCLTDNQPR-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)cc1 150429346 CYUURTRJWCXYPF-PCYMAAINSA-N 716.208 6.758 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433198 JFXOIEGNDSYBOC-JGCGQSQUSA-N 686.375 8.480 50 10 KKGE COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1[C@H](N=C=O)c1cn(C)c2ccc(OC3CCCC3)cc12 166881929 UBJOMFIYLDAPGQ-PMERELPUSA-N 573.671 5.361 50 10 KKGE C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O[C@H]2CCCCO2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 211874447 VAQLZJZVGRUENW-RSMRRJRXSA-N 729.292 13.315 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)c(Br)c1 234975497 DULCTPAQZNAMDC-CQSZACIVSA-N 560.849 6.309 50 10 KKGE C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C[C@@H](C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O 605693249 OIGMHIMRSGHQEE-LFKXOUOUSA-N 926.263 6.456 50 10 KKGE in-vitro COc1ccc(Cl)cc1[C@@H](Br)c1ccc(I)c(Br)c1 721617763 XYGLWQAOYPLVNV-AWEZNQCLSA-N 516.398 6.200 50 10 KKGE Cc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 725398667 ITRPGFADGSEUDH-UHFFFAOYSA-N 627.992 5.894 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1083890507 AFSYYWKSLAAVGA-RGVLZGJSSA-N 631.151 8.796 50 10 KKGE O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1 1084105290 HASFYUHTUYIBMD-UHFFFAOYSA-N 578.488 5.374 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 1084214705 AAZCIOBGTDJIFQ-VWLOTQADSA-N 586.324 6.483 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 1084250920 UTRQYGGQKLLHLK-HHHXNRCGSA-N 517.582 5.265 50 10 KKGE COc1ccc(SCC(=O)NN=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)cc1 1084304942 AFWIVQUCBLBRKQ-UHFFFAOYSA-N 586.783 6.846 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cc([N+](=O)[O-])ccc1O 1084322247 FXSAJSLBHWWUHP-UHFFFAOYSA-N 503.578 5.810 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1Br)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084471422 FJHKAPNNVWICKW-UETOGOEVSA-N 580.979 7.703 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084542748 NKNDSOHWPFPLGJ-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@@H]3C[C@@H](Br)[C@]2(Br)C1 1565536336 ZKUCDSCKSARUCE-YLZZIBNZSA-N 826.968 15.850 50 10 KKGE O=C(N/N=C1\c2ccc(F)cc2C[C@@H]1NC(=O)c1cc(Cl)ccc1Cl)Nc1ccc(OC(F)(F)F)cc1 1614357461 VHODABBAZYOFAR-VJQVYVLQSA-N 555.315 5.912 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743660 FUPMHVZDBQTOTB-UHFFFAOYSA-N 535.225 6.380 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746851 HZDRQWVRFQMRPI-UHFFFAOYSA-N 521.573 5.764 50 10 KKGE COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748456 YEDXIBRPEWXLKM-UHFFFAOYSA-N 521.573 5.764 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865683815 ITBTUHPWFSBTFN-QFIPXVFZSA-N 515.367 5.234 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)c1O 1865695604 FCEHJGSKSQDKLL-HSZRJFAPSA-N 543.421 5.602 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC)cc1 1865707312 TXDKUHRHRXUYAD-HHHXNRCGSA-N 505.622 5.823 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1 1865713392 YAAPMUSIFCRLJO-HSZRJFAPSA-N 503.389 6.381 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714687 NOXQANZSSFIHHY-XMMPIXPASA-N 544.995 5.201 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866754549 IJWQXXZCISXUNB-CLJLJLNGSA-N 506.071 6.409 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)C[C@@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867132346 RDOPNTWIYOIZSL-BHBYDHKZSA-N 587.717 7.117 50 10 KKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)[C@H]2C 1868433671 PHOWQVGZTDTGKS-SFHVURJKSA-N 514.054 7.246 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(c4ccccc4NC(C)=O)CC3)n2)c1 1868505900 NGNNUXVTVRIWJL-UHFFFAOYSA-N 551.676 5.754 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@@H](c4cccnc4)C3)n2)cc1 1868544471 GPVOPJDTVVLHFQ-AREMUKBSSA-N 522.678 6.731 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(Cl)cc3Br)n2)cc1 1872745794 CPXDPCIHNJZEBF-JZJYNLBNSA-N 505.821 6.886 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3C)C4=O)n2)c1 1872750116 XHPNOIPLRSMBJK-PNHLSOANSA-N 505.599 6.794 50 10 KKGE Cl[C@@H](c1csc(I)c1)c1ccc(OCc2ccccc2)cc1Br 1899877611 UHTFACPETUGMNZ-SFHVURJKSA-N 519.629 7.022 50 10 KKGE Brc1cc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)s1 1922892734 SWIRXNHTZXIZAC-KRWDZBQOSA-N 517.080 7.336 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923066935 WUFQOGGJOLMYLF-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE CCCOc1cccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c1 1923072877 SMRVYOHHNBXKAQ-LLVKDONJSA-N 503.481 7.200 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1cc(Br)cc(Br)c1 1924042160 YZVKZQWTMDORJF-RMLUDKJBSA-N 512.865 6.609 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2C3CC4CC(C3)CC2C4)c1Br 1924599838 MGUJXBFKNAVJNH-ZQOQPLRDSA-N 547.976 7.544 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCOc2ccccc21 1924601751 ZLPNHYMRZDGBJJ-PELKAZGASA-N 501.465 6.882 50 10 KKGE C[C@@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605240 OIYHXANYMQGUGW-UCORVYFPSA-N 523.832 7.060 50 10 KKGE BrCC1(N(Cc2ccccc2)Cc2cc(Br)ccc2Br)CCC1 1982457681 MBSQEOLGNARZDJ-UHFFFAOYSA-N 502.088 6.531 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2025779185 DKRIHFBPUJZYMZ-ZROIKLNDSA-N 575.158 7.190 50 10 KKGE Cc1cc([C@H](Cl)c2sc(Br)cc2Br)ccc1I 2026131454 VFZIVDZSXIOBHJ-NSHDSACASA-N 506.428 6.514 50 10 KKGE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2037916292 AHKVECQGASADRU-OCQXTOTRSA-N 885.971 8.579 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@H]1CCCc2sc(I)cc21 2061264122 LXTLACTWSXYRDH-ZDUSSCGKSA-N 514.520 5.226 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)c1C 2082878076 GROSVXLCKGQVBA-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(CC2)C1 2085493639 FEWLXKNDNRAASZ-LBPRGKRZSA-N 522.300 7.207 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](OP(OCCCN)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2086854663 RBVSWXYUPLANEI-FTZVBZPOSA-N 974.226 9.536 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)ccc2Br)c1 2089377663 GOXBXTHNHPZMIA-CYBMUJFWSA-N 515.840 6.906 50 10 KKGE Cn1cnc2sc([C@H](Cl)c3c(Br)sc(Br)c3Br)cc21 2118608828 JMFIIZHWGIYXIB-QMMMGPOBSA-N 505.482 6.312 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1Br 2123245088 DLVYPDIKAIJYBU-HNNXBMFYSA-N 501.284 5.642 50 10 KKGE CC(C)([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2141468212 HMWKNPGPQDEFOR-VIFPVBQESA-N 552.248 7.605 50 10 KKGE O=C(c1cc(I)ccc1Br)N1CCC[C@H](CCBr)CC1 2149747356 HBLPRYHJBUJMJL-LLVKDONJSA-N 515.027 5.081 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Br)cc(F)c(F)c1F 2169662485 MYJWTRXKEQJWQN-NSHDSACASA-N 523.887 6.094 50 10 KKGE Cc1cc(Br)c(CBr)c(N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 2186711287 PFQJZGLHDUQFQY-IBGZPJMESA-N 506.204 5.906 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396521 XVSLFBLEYSRVKU-OTOVSZSBSA-N 550.354 7.699 50 10 KKGE CC1(C)CCCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206404962 CUIAKEYUAIYKIZ-RTHLEPHNSA-N 552.370 8.233 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1ccc(Br)cc1I 2207260859 ILBCOFNPENGBIF-CQSZACIVSA-N 574.876 6.618 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CCCCOCc1ccccc1 2225689512 ZDIMFWFRTHPECJ-AWEZNQCLSA-N 500.662 6.858 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)cc3c2OCC3)cc1Br 2226082584 RAGXBKIMWNICQS-CYBMUJFWSA-N 514.020 5.843 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC[C@H](C)N(C)Cc1ccccc1 2234060721 YBKDLFGDBHTOGH-GJZGRUSLSA-N 513.705 6.772 50 10 KKGE Cc1cc([C@H](Br)c2sc(C)c(C)c2Br)ccc1I 2253509222 NWUYKBPUBVENOV-ZDUSSCGKSA-N 500.037 6.525 50 10 KKGE CCc1cc([C@H](Br)c2cc(Cl)ccc2I)sc1Br 2256050927 DFNYEDQGKUYFDI-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE COc1cc(F)c([C@H](Br)c2c(F)cccc2I)cc1Br 2282895995 DHVLSVHMKPAASR-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CC[C@H](C)C2 2296500362 LECQRYMNQNEDKK-AWEZNQCLSA-N 529.445 7.162 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2nccs2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 2297382349 ODYQWCXEWNHBCE-UHFFFAOYSA-N 516.501 5.124 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cccc(Br)c1Br 2303538893 LQRUIMODJNVXOG-AWEZNQCLSA-N 520.059 5.312 50 10 KKGE CCOC(=O)C(C#N)=Cc1cc(I)c(OCc2ccccc2Cl)c(OCC)c1 2313521366 JEHOVZCZQXCCNL-UHFFFAOYSA-N 511.743 5.392 50 10 KKGE Cn1c(C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)nc2ccccc21 2314414909 QMPNYVZLGUQEQY-UHFFFAOYSA-N 507.597 7.069 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1ccc(Br)cc1I 2314498923 YZAAUGGPYXCIGE-FQEVSTJZSA-N 592.496 7.723 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591878 GSFQKSUIHIPLGI-RUZDIDTESA-N 517.582 5.298 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592016 JVSXCPQHTOZJLS-XMMPIXPASA-N 520.010 5.422 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592244 OWOAUUKWRUPDNB-RUZDIDTESA-N 567.589 6.178 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592992 FMKDDCDHMMVUGS-SIBVEZHUSA-N 550.511 6.914 50 10 KKGE COc1cc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1C 2314738419 PBBPAXHQBYVWKL-UHFFFAOYSA-N 540.616 5.642 50 10 KKGE CCOC(=O)C(C#N)=Cc1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OCC)c1 2314772585 LGCQZDBGZHAMGS-UHFFFAOYSA-N 564.860 6.353 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)Cc2ccc(OCc3ccccc3)cc2)n1 2331389245 IIZXDOLXVNHKGG-UHFFFAOYSA-N 503.023 7.395 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(C(C#N)=C(O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 2331390337 ZLAPCRXRJLQNFR-UHFFFAOYSA-N 512.975 5.475 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3c(OCc4ccccc4)ccc4ccccc34)n2)cc1 2331445459 YKTZNFKKDCFYHB-UHFFFAOYSA-N 502.639 8.395 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2336076961 DKRAVXSSOSSWAL-HXUWFJFHSA-N 543.068 7.722 50 10 KKGE CCC(CC)(CBr)CS(=O)(=O)c1cc(I)ccc1Br 2338405693 HGDDAHIJHBSJRH-UHFFFAOYSA-N 524.056 5.029 50 10 KKGE Fc1cc(CBr)cc(F)c1Oc1cc(Br)cc(I)c1 2338753890 BAQCVYIWAPAAJB-UHFFFAOYSA-N 503.906 6.019 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)Cc1ccccc1Br 2360497654 RYFSDDIRHYKDBP-SECBINFHSA-N 505.834 7.336 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@@H]2CC[C@H]2C(F)(F)F)c1Br 2362233241 YCSVOTXCZCQXIM-OJFKHTATSA-N 503.353 7.029 50 10 KKGE CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 1923235 YFOHBTXEPUCZAI-KBKYJPHKSA-N 570.278 5.114 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2N/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC 2284880 JRHMZEIHKHSVDO-CYVLTUHYSA-N 532.021 6.697 50 10 KKGE O=C(COc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 3073331 UKTOMZDJWKDXGS-JFLMPSFJSA-N 514.588 6.038 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C/c3cc([N+](=O)[O-])ccc3OCC(=O)Nc3nccs3)n2)cc1 35519504 NNTQKDKLWTVFMH-VCHYOVAHSA-N 503.565 5.565 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c(OC)c1 38688440 ASSPXPSAGXAUQD-QHCPKHFHSA-N 518.978 6.009 50 10 KKGE COc1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 59679704 SFKHGORXMMELGQ-LGJNPRDNSA-N 512.360 5.199 50 10 KKGE CCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 100184691 WNJVTTDLSBEQGK-UHFFFAOYSA-N 563.301 5.039 50 10 KKGE O=C(COc1c(Cl)cc(Cl)cc1Br)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 100229610 CJZZQMKVQVSGJX-UHFFFAOYSA-N 543.245 5.115 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)C(=O)Nc1ccc(F)cc1 100416207 NAGJMMPDSIDCHQ-GZTJUZNOSA-N 530.191 6.475 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243966 KZZZKOQYWKFQQO-ZBLJKLLZSA-N 566.510 6.696 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1C 101245330 ZCBFTDNLFLNHFD-RAMZYJDASA-N 535.591 6.696 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1C 101304922 VTRCOGYLYVPJEX-MWAVMZGNSA-N 554.650 6.248 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 101340561 XGDWMTVMTMBLOI-YKKQWCMESA-N 558.613 6.103 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc21 101373204 IOBKVQJBCAMIEY-YTTGMZPUSA-N 530.624 6.821 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)cc1OCC 101373856 KNHXDWSZCUMSSO-GDLZYMKVSA-N 532.568 5.606 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5C)ccc43)cc2)cc1 101378823 MEMNFPILEMFMBC-MGBGTMOVSA-N 546.623 6.393 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101379223 IWQOSYZUIGYUQA-JGCGQSQUSA-N 559.021 7.510 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379666 IBYSOUMPGCCNDX-RDPPTWFYSA-N 569.444 7.409 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384996 PNKSWMSIEVXGGW-CGKQSPDFSA-N 615.513 7.726 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101386515 WBWKSUIIFNBONK-JGCGQSQUSA-N 578.640 7.148 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389045 PGZKZOUYMRJSSL-UUWRZZSWSA-N 608.666 7.276 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OCC 101395263 ZFXPQYLYAJFJSP-MUUNZHRXSA-N 603.469 7.129 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1OC 101396028 PDEHDFCVCUOQFZ-YTTGMZPUSA-N 580.681 7.845 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc(Cl)c5Cl)c(C)c43)coc2c1 101620288 SIYGMNWILJRMSW-BIZUNTBRSA-N 538.431 6.909 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1ccccc1Cl 101766766 WOYLEIPXJMSKRA-KCSSXMTESA-N 587.942 7.297 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 102666016 PMZPNAMFKZDPFM-SCIJIFGBSA-N 522.399 5.653 50 10 KKGE C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)OCCO5)[nH]c(=O)c23)C1 102965314 LANQFBZRUUQBKO-WRDGEJPTSA-N 547.640 5.797 50 10 KKGE N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 103099041 SMBKGZUJDDXIFU-FESPKCQYSA-N 528.870 5.918 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4nc5cc(C)c(C)cc5[nH]4)c3C)sc3c2CCCC3)cc1 103794989 GVWCPRQSOLLDEO-KOEQRZSOSA-N 559.739 8.152 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1OC 150497969 LKDAYVUJCAWAJW-STKMKYKTSA-N 685.180 7.624 50 10 KKGE Cl[C@@H]1O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 202672375 PCQHHGZMQLZGQM-KSVMHDQPSA-N 559.102 6.923 50 10 KKGE CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1 206398040 UVHVISRHRXMKSG-PWWMPWPUSA-N 521.573 5.220 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2nc(-c3ccccc3OCC)cs2)cc1OC 206694155 BKJGPJVESFZJED-PGMHBOJBSA-N 505.640 6.722 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1C 214358464 XIJGGQBQCVBMQY-ONUIUJJFSA-N 506.606 5.781 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1cc(Br)ccc1I 236030788 YGFCYWLXXOTZGP-ZDUSSCGKSA-N 565.268 6.907 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)ccc21 254295875 SAJQWBWTCPOARK-UHFFFAOYSA-N 502.621 5.441 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(C)=C/c3ccccc3)n2-c2ccccc2)cc1OC 254558421 IFIFJJIRNOSKES-RHLKPCCASA-N 513.623 5.249 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 254836404 GOOXWDXAIGMCNQ-KUBYUSOUSA-N 635.935 6.853 50 10 KKGE CCOc1cc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 254877172 WIYYQZGQPIYWIF-UHFFFAOYSA-N 594.774 6.545 50 10 KKGE COc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)COc2cccc3ccccc23)cc1 254902295 MTOZIVQOGBTMLV-UHFFFAOYSA-N 504.542 5.750 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 256018178 BMDKYTYQLUXIHT-XKAZDTCBSA-N 525.996 7.380 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc4c(NC(=O)[C@]56CC[C@](C)([C@H]5Br)C6(C)C)cccc34)CC[C@@]1(C)[C@H]2Br 256019749 BNGZVJPYZCRFEJ-SOGJUSNISA-N 616.438 7.896 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC 256071230 AZGVUJNTJSDJRE-BMBFPDSCSA-O 948.961 13.551 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)sc2Br)c1Br 302615818 MFMCIEYPPMTWTE-LURJTMIESA-N 563.878 7.600 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(F)cc2n1CCCN(Cc1ccccc1)Cc1ccccc1 390508218 XTFBWJOESBVQHB-IBGZPJMESA-N 514.870 7.330 50 10 KKGE N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NCc1cccs1 1083941715 HTBWPCDZZXCJFT-YVLHZVERSA-N 510.844 6.390 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084225930 XEMZZQXBYYKEPF-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2)c(I)c1)c1cc2cc(Br)ccc2o1 1084272720 WXTBSEHXACMFTB-UHFFFAOYSA-N 654.096 6.905 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084419593 HYQZDXHTNMMPAF-UHFFFAOYSA-N 558.704 5.374 50 10 KKGE COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc2cc(C)n(-c3c(C)cccc3C)c2C)cc1OC 1084438255 JLNQNEHTIUOHMB-UHFFFAOYSA-N 602.757 5.112 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(F)cc3)CCC4)ccc21 1772745416 YSHGFQXUWJIIGH-UHFFFAOYSA-N 522.580 6.578 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)c3cccnc3)CCC4)ccc21 1772745584 FTRMZTWSZHYTSH-UHFFFAOYSA-N 505.578 5.834 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772746057 AIIUNGYFIAAKKC-UHFFFAOYSA-N 532.427 7.285 50 10 KKGE CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)C[C@@H]1O)[C@H](C)C[C@@H]2OC 1848441222 LVZDQHRVHPNMRY-VCRUVBGYSA-N 812.482 5.511 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865687871 CBIANJKVMCJWLC-XMMPIXPASA-N 547.537 5.790 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689905 GFNUZKDDVCYUNI-MHZLTWQESA-N 511.025 6.334 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865691332 PQIXRQUWHGULLA-JOCHJYFZSA-N 543.849 5.671 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)ccc1OCc1ccccc1 1865693024 HHQDLLLYSFJNJO-MHZLTWQESA-N 512.997 6.030 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695485 OUGZZIPREGUOGN-YTTGMZPUSA-N 556.666 7.092 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696609 IMNWXVPNXAZEPG-OAQYLSRUSA-N 543.849 5.866 50 10 KKGE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701063 KRLRVIAUSHEQQN-SANMLTNESA-N 535.406 6.483 50 10 KKGE N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1866128212 CXPXGIQMOKYRMB-MHWRWJLKSA-N 504.775 6.335 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)Cc2nc(-c3ccc(F)cc3)oc2C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866661882 JYOPAMZRIIKQKH-MHZLTWQESA-N 572.618 5.196 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](C)c2cccc(Cl)c2)C(=O)Nc2ccc(SC#N)cc2)cc1 1867169671 OMNYYEYYXRJDFD-HFJWLAOPSA-N 536.053 5.698 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)ccc1OCc1ccccc1 1872794795 XCBIMLWSXNEHNZ-LPYMAVHISA-N 503.023 7.514 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Cl)c1cccc(I)c1 1923055835 ZKQQSKNXIXYVRJ-MRVPVSSYSA-N 526.846 6.859 50 10 KKGE CCOC1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924615864 HMPMHDSYJWBFNZ-NPWHJSNTSA-N 511.899 6.287 50 10 KKGE Brc1cc([C@@H](Br)Cc2ncccc2Br)c(Br)s1 1924907153 MZIOHMPESDAHII-QMMMGPOBSA-N 504.867 6.109 50 10 KKGE N[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2025779221 DUTSQSGWSMNIJI-XOGFGSHOSA-N 555.728 5.910 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cnsc2)c1Br 2025779884 MSFIHHDFCYWSEE-MRVPVSSYSA-N 569.736 6.677 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2030217618 DSNMKMSNWRGMOC-CYBMUJFWSA-N 517.906 7.082 50 10 KKGE Clc1c(Br)cccc1[C@@H](Br)c1ccc(Br)cc1Br 2083334472 NBIZYZHJRPWLCX-LBPRGKRZSA-N 518.268 7.112 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CCCC(F)(F)C1 2132121875 CULGNRIOCHMPCN-KWQFWETISA-N 501.456 7.531 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C12CCCCC2 2139470687 OXKNYLROIWFJNI-LJQANCHMSA-N 503.775 5.585 50 10 KKGE CC[C@]1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141474209 YGUUUKHFNHJZSG-QWHCGFSZSA-N 584.766 7.132 50 10 KKGE CC1(C)C([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1(C)C 2141477725 SZYZSBRIULTMDV-LLVKDONJSA-N 538.343 7.699 50 10 KKGE Clc1cc(COc2ccc(Br)cc2CBr)ccc1I 2142947197 PUMCGAOAHJXMFJ-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@@H](C1)OC2 2206393868 BPTMRHVRNDIOHY-GTNLGMRDSA-N 552.326 6.976 50 10 KKGE C[C@@H]1CCC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2206394737 IXQCHADVWILYLJ-OLBFVZFUSA-N 552.370 8.233 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2C[C@@H]3CCC[C@H]3C2)c1Br 2206400847 SVWMZIYVTCIPHJ-UVPNAGLESA-N 594.805 7.999 50 10 KKGE Cc1ccc(I)c([C@@H](Cl)c2sc(Br)cc2Br)c1 2217421115 PZZYXFMVBCNFJZ-LLVKDONJSA-N 506.428 6.514 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)sc(Br)c2C)ccc1I 2218806981 ZWSINDIUYIVNAN-CYBMUJFWSA-N 500.037 6.525 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)sc1Br 2224306129 ZPWPUXKZPQFEOJ-VIFPVBQESA-N 528.318 8.026 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(I)c(Br)c2)c1 2277950945 YVKJVSQPRHHPEI-LBPRGKRZSA-N 623.746 7.257 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Cl)c1cc(Br)c(Br)s1 2285080676 VPAAMMLCOWOZSS-CYBMUJFWSA-N 503.481 6.989 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Br)cc1OC(C)C 2295669953 QDAKNNXWQJIEOK-UHFFFAOYSA-N 531.756 6.853 50 10 KKGE O=C(C=Cc1ccco1)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 2297324792 PVWDDSAMLMPIFU-UHFFFAOYSA-N 507.373 5.600 50 10 KKGE Cc1nn(C)c([C@@H](Br)c2sc(Cl)cc2I)c1Br 2301082083 WCIOQPWBPBBQNP-MRVPVSSYSA-N 510.420 5.295 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1 2313521280 CNFDSXIVIRSHIW-UHFFFAOYSA-N 539.857 7.243 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 2313568077 QWPVIWRJAWCVSS-UHFFFAOYSA-N 551.090 6.582 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(F)cc1 2313570701 DHUHBIFQQBPKME-UHFFFAOYSA-N 597.211 6.870 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)c1nc(O)c2ccccc2n1 2314432781 GQMOGUFJXMKDQH-UHFFFAOYSA-N 556.025 7.485 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591658 AONXDNNMNGJPBG-HSZRJFAPSA-N 524.429 6.067 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(C)c(F)c3)C(C)=C(C#N)C2=O)cc1OC 2314617245 ULJQFTHVRYRQIL-UHFFFAOYSA-N 576.628 5.839 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634509 CAXFRJYXKHONCA-AREMUKBSSA-N 523.372 5.848 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 2314640796 ZZVDYDDMBTZNBW-HKBQPEDESA-N 569.444 7.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4)ccc32)ccc1OCc1ccccc1F 2314643328 REDGFRRRLPFNBX-MGBGTMOVSA-N 562.597 6.640 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646941 VOCQDBSOMHCHKA-HKBQPEDESA-N 701.204 6.688 50 10 KKGE CC(C)(CCCl)C(=O)Nc1cc(Br)c(I)c(Br)c1 2315439987 MNPRWXQFDGJYQF-UHFFFAOYSA-N 509.407 5.410 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)cc1 2331273473 GTLWNXWKGDGKGD-UHFFFAOYSA-N 517.610 7.278 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1OCCC 2331293372 BUCOZKGWHWEQIF-HXUWFJFHSA-N 506.668 7.771 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Cl)cc(Br)c(F)c2Br)c1I 2362220467 KXCAPVXXSHTGBV-LLVKDONJSA-N 597.285 7.401 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(C)cc(Br)c(F)c2Br)c1 2365195280 AGXIVYCDJWCTGT-ZDUSSCGKSA-N 576.867 7.056 50 10 KKGE CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)nnc1-c1ccco1 3770851 BRDWBPPNDQZARQ-MUFRIFMGSA-N 552.572 6.281 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)cc1Cl 38651055 KPCGRDTUGGJMRJ-JOCHJYFZSA-N 515.780 6.483 50 10 KKGE O=C(NNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40588079 IBFULRCYTZWKPM-UHFFFAOYSA-N 509.353 5.710 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241214 SLAPVHXWSJZIDL-RAMZYJDASA-N 518.038 5.481 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245909 ALQWYSMMLGRKSM-GHRJURJJSA-N 509.675 6.746 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1OC 101339301 CIXDCAUAVOVHLE-XSFVSMFZSA-N 537.399 6.106 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380540 VAVTZIUQEPYKIN-NBLPZQPVSA-N 578.640 7.119 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 101381184 JWFDVEOSLQGMRO-HMOZYUCASA-N 625.552 8.707 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384653 SCQWCTRFKSQXTC-PMERELPUSA-N 618.429 6.683 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 101386362 QOJDZSOFSIIOOZ-JGCGQSQUSA-N 597.067 7.154 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 101387536 OLLLFDCAAYHTAH-WJOKGBTCSA-N 617.485 7.417 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCc1ccc(Cl)cc1 101388514 ILPPLUWJLIGTSP-NDEPHWFRSA-N 559.043 6.817 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OCC 101395418 YIJPKONJFPYJRC-LJAQVGFWSA-N 556.590 6.895 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)cc1 101396906 FIJHWERTNYJHCQ-MHZLTWQESA-N 559.087 7.870 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 101600980 XHALNXRXPSDTKW-STKMKYKTSA-N 544.007 6.765 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 103741796 TUVCEJPPYAMYCW-IGIMMJHKSA-N 587.764 8.476 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 103877679 RIGMZEZLVAAEQM-SAEPALGJSA-N 618.948 8.764 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc2c(c1)OCO2 103890913 FZFKNHUFFFZWJG-RGVLZGJSSA-N 537.399 6.584 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 104769430 CHNKVQFYDLLOPD-OKCVXOCRSA-N 599.942 5.676 50 10 KKGE Cc1cc2c(c(P(c3ccccc3)c3ccccc3)c1)Oc1c(cc(C)cc1P(c1ccccc1)c1ccccc1)S2 104848685 DDGXNFZUBGHKNB-UHFFFAOYSA-N 596.672 8.077 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)cc3-c3ccccc3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400836 MSLDSYOMFXXMDZ-KQASJELASA-N 960.028 10.536 50 10 KKGE O=C(N/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)c1ccc(/N=C/c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 150415700 PUJXINXFOMHVCL-VAGKYOBISA-N 747.589 6.272 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1Cl 150463143 HPPRKEUOBXTTES-HKBQPEDESA-N 631.512 7.726 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485176 ZHUZEYULQMHEJD-YTTGMZPUSA-N 633.484 6.792 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1ccc(Cl)cc1Cl 163802412 VIIKZVDKDBBTOP-IURWMYGYSA-N 637.155 8.336 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 164619827 OMNXRSLDJHICQR-JEPNHJGPSA-N 639.506 7.475 50 10 KKGE CCOc1ccc([C@@H](Br)c2cc(Cl)ccc2I)cc1Br 233818851 GXQNRYCRVLZXSF-OAHLLOKOSA-N 530.425 6.590 50 10 KKGE Cl[C@H](Cc1cccc(Br)c1)c1cc(I)ccc1Br 236029581 RWOWDTOUIWUGOU-CQSZACIVSA-N 500.399 6.339 50 10 KKGE CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@](C)(O)C[C@@H](C)/C(=N\OC(C)(C)OC)[C@H](C)[C@@H](O)[C@]1(C)O 245204696 GAYMGJQYVVDZLC-OMJXAVSBSA-N 965.425 6.690 50 10 KKGE CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C(C)c3ccc(NC(=O)c4ccco4)cc3)c3ccccc3n2)cc1 252620023 LWBHGMLGJQHUQY-OAQYLSRUSA-N 530.628 7.415 50 10 KKGE COc1ccc(C(=O)NN=Cc2ccc(N3N=C(/C=C\c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 254568079 WUMPMFXIFJDDFE-ITFFAMQHSA-N 500.602 6.480 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3cccc4ccccc34)cc2OC)cc1 254766601 MKJWCWNGWIOSLA-UHFFFAOYSA-N 510.590 5.939 50 10 KKGE O=C(Oc1ccc2ccccc2c1C=NNC(=O)c1ccccc1-n1cccc1)c1cccc([N+](=O)[O-])c1 254868341 FNJSPNKSXPARHW-UHFFFAOYSA-N 504.502 5.522 50 10 KKGE CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 256090859 ZIFSFLGSUTZFCP-BXSXSEFBSA-N 592.759 5.435 50 10 KKGE in-vitro CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)CCc1ccccc1 504175616 JKHADYMACPRLAF-SOLVTEBJSA-N 596.840 8.410 50 10 KKGE ClCc1nc2cccc(Br)c2n1-c1ccc(I)cc1Br 697737580 UBHBRPMSMLWGPK-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE C[C@H](Cl)c1nc2cc(I)ccc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 707851836 YGDKSJSSFMANGH-FQEVSTJZSA-N 571.890 6.412 50 10 KKGE Cc1cc(C)c([C@H](Br)c2cccc(F)c2I)c(C)c1Br 721695740 BSKSXBBRUQYDMK-OAHLLOKOSA-N 511.998 6.602 50 10 KKGE COc1ccc(OC)c(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)S(=O)(=O)c2ccccc2)c1 725440196 INSZXXCNJUSDMZ-UHFFFAOYSA-N 574.703 5.074 50 10 KKGE CC(=O)O[C@@H]1[C@H](O[C@H]2[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC=C[C@H]2OC(C)=O)O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1083817564 POFJFIPDEIUPPA-FEBYGOGFSA-N 789.121 7.120 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 1083987299 JXLFWBBAZKOLJV-UHFFFAOYSA-N 687.956 5.944 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 1084105897 AXNAMNKNSQPFSC-UHFFFAOYSA-N 639.221 7.832 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 1084443134 UKYFUGUOPUTELT-SANMLTNESA-N 596.319 6.908 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084518516 HBTFQGMEYOLECJ-UHFFFAOYSA-N 589.932 6.400 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084595482 CTNHFOBYHNPOKW-UHFFFAOYSA-N 667.209 5.824 50 10 KKGE C/C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=N\N=C(C(=O)c1ccccc1)c1ccccc1 1088587503 COZZARTXXUBGFJ-XZWVQPJYSA-N 525.612 6.729 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccco1 1565517619 UVGULVHNUURZPW-UHFFFAOYSA-N 507.340 5.116 50 10 KKGE CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 1614653455 FDHAFFQMOUSTOP-DSLZUCJSSA-N 509.675 6.115 50 10 KKGE COC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)cc1 1772747880 LQDOTJYDCRDOBB-UHFFFAOYSA-N 514.365 5.404 50 10 KKGE CCCOc1c(Br)cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1772755056 JVQIJUCNHHFKBL-UHFFFAOYSA-N 554.919 6.266 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 1856701568 NBJRFADZXIXCDP-MTGYRXOASA-N 672.642 5.353 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OCC 1865687009 HHLMTSOYJFPHLG-SANMLTNESA-N 507.594 5.730 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OCC)c1)C(C#N)=C(N)O2 1865688083 ITAKXDPIGTXDKV-OAQYLSRUSA-N 561.839 5.761 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688770 AEYKCFMMZOEWFQ-IBGZPJMESA-N 557.326 5.739 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865689164 LJCWTUZHFXZCFR-HHHXNRCGSA-N 561.469 6.856 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1cc(Br)ccc1F 1865702647 YGDWLLZRXCAZIA-QFIPXVFZSA-N 535.804 6.372 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)ccc1OCc1ccccc1C 1865703362 UTFOMWXNPSOLEX-JGCGQSQUSA-N 568.677 7.103 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704505 XNLZUQHZBLIZJQ-QHCPKHFHSA-N 571.386 7.054 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1 1865707306 SYEQVRHCNRAWKY-HKBQPEDESA-N 537.667 7.092 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712513 AKZXUSZQYKSHSD-QHCPKHFHSA-N 548.386 6.040 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(Br)cc1 1865714531 MMANTWPIRJEZNF-QFIPXVFZSA-N 517.814 6.232 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(c4nc5c(s4)CCCC5)CC3)nc(-c3ccccc3)n2)cc1 1868365699 UCYAJGXTEQJCHA-UHFFFAOYSA-N 524.719 7.180 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4c([nH]c5ccccc45)[C@H]3C3CCCCC3)nc(-c3ccc(F)cc3)n2)cc1 1868457097 ZZUOGPYAYCSXHS-MGBGTMOVSA-N 574.729 8.765 50 10 KKGE N#C/C(=C(/O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(F)cc2)cs1 1872753465 YNGLKCDCTHJUKE-UZYVYHOESA-N 506.515 5.507 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(F)c3)cs2)ccc1OCc1ccccc1C 1872792072 CPRAREJHYRIRCC-YDZHTSKRSA-N 500.595 7.308 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 1885378315 MKGWLEGKGXMASU-UHFFFAOYSA-N 523.290 6.044 50 10 KKGE C[C@@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914654398 GMSQANNAIMBFCV-GFCCVEGCSA-N 537.033 5.480 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1scc(Br)c1Br 1915112020 XSJXQSJWDZKUOJ-GFCCVEGCSA-N 510.089 6.089 50 10 KKGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1916365429 XDQAQRIJEJHHTK-CQSZACIVSA-N 546.108 5.357 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2sc(Br)cc2Br)c1 1922938330 DGOJAFVECOGMHD-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Cc1c([C@@H](Br)c2cc(Br)c(Br)s2)nn(C)c1Br 2002828297 HTQAMYSXILHURD-ZETCQYMHSA-N 507.871 5.562 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CC23CC3)c1Br 2025779444 HIJLQTDHBJSVDG-CDUCUWFYSA-N 552.724 6.973 50 10 KKGE CCCc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 2027130902 JEEPNOWZTIMFGK-AWEZNQCLSA-N 500.037 6.552 50 10 KKGE CCc1sc(Br)cc1[C@H](Br)c1cccc(C)c1I 2030218193 FRQRZQRXTKEVLI-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2I)cc1 2053614301 KULQTIWLAJVQEY-UHFFFAOYSA-N 681.224 5.943 50 10 KKGE CC1(C)OC[C@]2(O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O1 2081160980 RVAFYVFBDOMHAK-YHZQYDDPSA-N 563.013 7.667 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2csc(I)c2)c1Br 2085493315 AMENHYTWNDPMCM-VIFPVBQESA-N 694.644 7.887 50 10 KKGE Clc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cs1 2085495674 RUXBGNHGVJSRAG-SECBINFHSA-N 603.193 7.936 50 10 KKGE CC[C@@H](CC(C)C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141467830 CPSWNEXIMVNMBC-QPUJVOFHSA-N 584.810 8.245 50 10 KKGE Brc1ccc([C@@H](Br)c2csc3ccccc23)c(I)c1 2142289266 XXXDEEYPZFRWBK-OAHLLOKOSA-N 508.016 6.753 50 10 KKGE COc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)cc1F 2168401937 DBKGLXDFKIBENM-NSHDSACASA-N 513.970 5.880 50 10 KKGE C[C@@H]1CCC[C@@]12[C@@H](Oc1c(I)cc(Cl)cc1I)C[C@H]2Cl 2173619189 OKHUVIYDKSJQMJ-IRTPTFBHSA-N 537.006 6.114 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(C)(C)C 2179827284 CIOOREYBKZUVGW-MRXNPFEDSA-N 517.327 6.278 50 10 KKGE CC(C)C[C@H](C(C)C)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206394888 JXNGTSLDUFEMOQ-RFAUZJTJSA-N 554.386 8.335 50 10 KKGE Cc1cc(Br)ccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405537 MBWSKMQLNVWXTE-AWEZNQCLSA-N 611.191 8.136 50 10 KKGE O=C(NC[C@@H]1CCCC[C@@H](Br)C1)c1ccc(Br)cc1I 2207269761 WHAPXNGXCDBTMA-GHMZBOCLSA-N 515.027 5.127 50 10 KKGE Cc1sc([C@H](Br)c2sc(Br)cc2Br)cc1Br 2210613897 IICFJTXWSXDTOK-VIFPVBQESA-N 509.908 6.890 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2csc(Br)c2Br)c1C 2213622747 VHYDLJHLPWCOHE-SSDOTTSWSA-N 523.935 7.198 50 10 KKGE Fc1cc(F)c([C@H](Br)c2ccccc2I)c(F)c1Br 2227804539 DNYYKXCRTPAIBM-LLVKDONJSA-N 505.897 5.955 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232508148 BOHOGVWVFJKSNE-NSHDSACASA-N 526.252 7.795 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(C)c(I)c2)c(Br)c1 2232832601 DMVYIBPMWFTNQP-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE COCC1(COC)C[C@@H](c2sc(Br)c(Br)c2Br)[C@H](Br)C1 2238380703 MCSOXFISLOPPJW-HTQZYQBOSA-N 555.952 5.956 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)cc1 2272850445 VFKNFYLPJNDCJR-LLVKDONJSA-N 519.803 6.737 50 10 KKGE CCc1nc([C@H](Br)c2cc3sc(Br)cc3s2)c(Br)s1 2278011031 JCAXXQBQSPHBQU-SNVBAGLBSA-N 502.116 6.991 50 10 KKGE CS(=O)(=O)C1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2285391660 PWOJTDHZTNENSV-SHOFKNTGSA-N 618.805 5.996 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)Cc1cc(Br)cc(Br)c1 2295267611 OHLAMHKWUOGHQE-LLVKDONJSA-N 594.736 7.554 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)c(C)c1 2296042421 WIKZUQDOTRCLJH-XMMPIXPASA-N 522.457 6.675 50 10 KKGE Cc1ccccc1N1C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)SC1=C(C#N)C(=O)Nc1ccccc1 2296507029 PTVKHWYCXRHPSG-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1 2296707769 HQIHDLZFRFYOSO-UHFFFAOYSA-N 511.647 6.673 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(F)cc2)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347321 HEXKDIVACIEGNM-UHFFFAOYSA-N 503.530 5.186 50 10 KKGE CC1CCN(c2oc(C=Cc3ccccc3)nc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 2297497945 LMTCUDNVBKRXDG-UHFFFAOYSA-N 529.644 6.701 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl 2313631370 OZHZZOMCSQWWKT-UHFFFAOYSA-N 536.242 7.824 50 10 KKGE N#CC(=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2314572084 SCWSKOIKLISDBK-UHFFFAOYSA-N 502.983 5.733 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(CC)cc3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314592237 OOKQIZXBEXPKHW-MHZLTWQESA-N 527.646 5.721 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592990 FMKDDCDHMMVUGS-BCHFMIIMSA-N 550.511 6.914 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593846 UPEXYWWODCFPQI-XMMPIXPASA-N 504.011 5.091 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 2314610376 GZKUZHSGNKSSPV-UHFFFAOYSA-N 508.622 5.965 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314617167 SAYTWDGDBQTFEL-UHFFFAOYSA-N 528.612 5.691 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(OCC(C)C)cc3)C(C)=C(C#N)C2=O)cc1 2314617296 VOHJAHVQDROHSJ-UHFFFAOYSA-N 572.665 6.375 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314619817 FVBDVVNZPDMYSQ-UHFFFAOYSA-N 540.645 5.197 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1OC 2314731668 FYAIEZDLJGJRSF-UHFFFAOYSA-N 532.662 7.105 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Cl)c(I)c1 2317773818 NJUDMBLQLCIVPW-QMMMGPOBSA-N 561.291 7.513 50 10 KKGE Brc1ccc(I)cc1COC1(CI)CCCCC1 2319224895 FWIAOUNKEWBBFT-UHFFFAOYSA-N 535.001 5.708 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c([N+](=O)[O-])cc1OC 2331398013 SZUCFRVGZBCYMR-UHFFFAOYSA-N 508.339 6.001 50 10 KKGE ClCc1cc(OCc2ccc(I)c(Br)c2)ncc1Br 2350072803 FSUBSYNBUOSOME-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE COc1cc(C)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2364229478 YRIPGVVYNCUVEF-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE N#CC1=C(N)n2c(s/c(=C/c3ccc(-c4ccccc4)cc3)c2=O)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 2051524 SKXOOEQKFLLKQD-OJCWPVFHSA-N 534.644 5.195 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 13582328 XYGHEQLKLQIUTM-ZUGOUDHMSA-N 512.393 6.197 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16739810 BXLJUAWEPNDVRT-QPSWJSTDSA-N 508.430 6.367 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 32519875 SPMMFWPWEPNMID-PPDIBHTLSA-N 516.019 5.919 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1 38657936 UFQUAXFBVRVWOR-KEEVHDRGSA-N 504.586 6.554 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc21 38686151 BROAKYDNTIWRJV-JGCGQSQUSA-N 518.613 6.775 50 10 KKGE Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 38686949 QZELHRPENOBQAL-NRFANRHFSA-N 507.398 6.954 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 40815443 BMYHDTUGXCXXAB-FDEZRRJOSA-N 533.672 7.172 50 10 KKGE CC(C)Cc1ccc([C@H](C)C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 59146865 SVWYHGPGKZKNAP-CBDZSOEFSA-N 515.657 6.645 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232694 USEPAEZAUFNKBP-VCHYOVAHSA-N 567.352 5.789 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4n3C)c2)C1 101014189 ICHWGOBIVMRYHR-FPRHVESQSA-N 576.726 6.157 50 10 KKGE CCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101332817 PETCWGNYNKJEFB-RDRPBHBLSA-N 563.057 6.774 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 101336124 ZNBWMYNBQSHOGI-WPWMEQJKSA-N 522.649 5.872 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)c1C 101380461 ZNKDSVSPAARFKT-YTTGMZPUSA-N 550.586 6.224 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383227 KTFONSFDFBMIKC-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383280 GTHVQOBOGUFFJS-HKBQPEDESA-N 569.013 6.130 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383433 UXJQATBAVITLKF-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384730 BYZJCLLWMISWRJ-OGFNDVACSA-N 599.470 7.418 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 101384775 FMMDCCHPTFNAML-SSEXGKCCSA-N 607.877 7.428 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccccc1 101392910 FBVPMPQSCWUUCP-FIRIVFDPSA-N 562.578 5.238 50 10 KKGE CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)sc2c1CC[C@H](C)C2 101645314 XTCJORHWFJSKFE-MSYPBOOISA-N 556.084 6.446 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc(Br)c1O 101713200 SXDAAKIJNOMRPY-YSURURNPSA-N 528.241 5.277 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1)C(=O)NCc1ccco1 101735285 LHTDIHZQMVHREG-MDWZMJQESA-N 574.631 6.754 50 10 KKGE N#C/C(C(=O)NCc1ccccc1)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 103742748 MJCLMQTWDGGGEI-CTHAODRQSA-N 526.420 5.875 50 10 KKGE O=C(CCCCCC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)N/N=C\c1ccccc1OC(=O)c1ccccc1 109836962 ZGLKGDMNTKFKPW-ZARWZZOESA-N 604.663 5.676 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)cc1 150411017 IESLQBGWIPJRTP-LLQGPRFRSA-N 662.768 5.499 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)COc2c(C)cc(Br)cc2Br)cc1 150422392 DJMKKAPBBNNMER-UHFFFAOYSA-N 806.100 5.033 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4Cl)c3)sc2c1 150482941 RVDRECSXIJBZHC-GDLZYMKVSA-N 647.967 9.186 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2ccccc2c1 163801424 BLRPGCGWMQYIQM-BKATUZMVSA-N 658.596 9.110 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(Br)cc1 164625557 QJAHYHAAOBINTK-FDALDRLYSA-N 642.981 8.610 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)C[C@@H]2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 195953100 YAGXSWHFOUWZDN-HHWNUHTHSA-N 878.115 7.973 50 10 KKGE c1ccc(P(c2ccccc2)c2ccccc2CNc2ccc3ccccc3c2-c2c(NCc3ccccc3P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1 200008438 BSSLCEBLGDMFDP-UHFFFAOYSA-N 832.968 12.401 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c(C)c1 214370069 OGHYLEDVVOWOSA-YQYKVWLJSA-N 614.702 6.265 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 217029743 LCLQWXMJTXYGQR-IXWBRTFTSA-N 508.710 5.522 50 10 KKGE CC[C@@]1(C)[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Cl 227236897 XQJZLNWPQOUKIS-NTZNESFSSA-N 602.419 5.675 50 10 KKGE C[Si](C)(C)Oc1cc2c(cc1O[Si](C)(C)C)[C@@H]1c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3OC[C@]1(O[Si](C)(C)C)C2 230601766 CFAQAGCVXBLKID-QCENPCRXSA-N 663.197 9.212 50 10 KKGE Clc1cc([C@H](Br)Cc2ccc(Br)cc2)ccc1I 232386330 GJLPYLNPFISWMY-GFCCVEGCSA-N 500.399 6.386 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1S[C@@H](C)C(=O)N/N=C(/c1ccccc1)c1cccs1 253568988 LXFIEANJZVKACY-FXSYBEAJSA-N 628.565 5.792 50 10 KKGE CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc2c1NC(=O)O[C@@]2(C#CC1(O[Si](C)(C)C(C)(C)C)CC1)C(F)(F)F 253588004 CZLOCSCGTRCIBH-RUZDIDTESA-N 576.204 8.602 50 10 KKGE in-vitro Cc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254313146 NFVRYZAUBLQTEO-VCGHIOKPSA-N 544.124 7.014 50 10 KKGE COC(=O)c1ccc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 254375947 LVUOXSIZEIKFPY-UHFFFAOYSA-N 527.650 5.261 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cc(-c2cccs2)nc2ccccc12 254496592 CLQZTVJUHLIZHW-UHFFFAOYSA-N 506.635 5.822 50 10 KKGE O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)c1ccc(COc2ccccc2-c2ccccc2)cc1 254616313 BILABMBKMGAUCH-UHFFFAOYSA-N 538.497 6.899 50 10 KKGE Cc1c(Br)cccc1[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 382694851 SVRAQIGZXCNIPU-FUHWJXTLSA-N 514.201 5.545 50 10 KKGE CC(=O)O[C@H]1C(=O)[C@]2(C)C=C[C@H]3OC[C@]3(OC(C)=O)[C@H]2[C@@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 575627363 STDWDYDOHOANPV-AZWOLXBHSA-N 950.167 7.570 50 10 KKGE in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(/N=C/N(C)C)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616586827 RQXRLANMGPTUJP-NUHJERQYSA-N 955.183 9.728 50 10 KKGE COc1ccc2c(c1)CC[C@@H](NC(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725237685 LSVALSMVCJWVEA-DVECYGJZSA-N 537.003 5.762 50 10 KKGE Cc1cccc(C)c1-n1c(C)cc(C=NNC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C 725417653 ZVCLDMZYAGNYTD-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc2ccccc2c1 1084084663 PPXUPKHWBRTHPM-SANMLTNESA-N 547.449 6.154 50 10 KKGE CC(=NNC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 1084210756 MWCPGZXGDIDAPJ-UHFFFAOYSA-N 629.060 6.347 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084216014 IDRLWXZRJKPTPT-OEAKJJBVSA-N 517.416 5.700 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084322954 UJXLUGIAQPPBPG-UHFFFAOYSA-N 593.105 5.338 50 10 KKGE C#CCOc1c(I)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 1084355552 LLHHDORGGVBYOI-UHFFFAOYSA-N 603.460 6.232 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1Cl 1084416953 QXOSNOBUZAFLKE-CXUHLZMHSA-N 566.666 7.543 50 10 KKGE COc1ccc(-n2cccc2C=NNC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 1084458529 RGVHGJRGLBIETD-UHFFFAOYSA-N 536.635 7.375 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1cc2cc(Br)ccc2o1 1084559330 IFJSBVFJYKIYQO-UHFFFAOYSA-N 625.086 7.202 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084568859 OXVRUJKYSOBYBL-SRZZPIQSSA-N 613.339 7.481 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1 1084635110 RFYDRUQACCNEDV-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)c(Br)c1 1772749026 VPWKCUVDGKOASJ-UHFFFAOYSA-N 530.422 6.535 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684996 BVYSLTDRFAYAPQ-QFIPXVFZSA-N 537.834 6.785 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865690249 MPYTVBDHWWYPOZ-QHCPKHFHSA-N 503.389 6.463 50 10 KKGE CCCCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccccc2)cc1OC 1865690834 CGQXULZMDRZCIP-RUZDIDTESA-N 565.512 6.773 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865691699 ZCFNVRIAWJICBD-XMMPIXPASA-N 551.485 5.970 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(OC)c1OC 1865693776 YTUJHJCBPALZJP-HSZRJFAPSA-N 514.969 5.437 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 1865694970 GXZYLBOYXSWJSI-MUUNZHRXSA-N 527.024 6.007 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(F)cc2)cc1OC 1865695087 JLPSOFILJFMKDU-SANMLTNESA-N 504.606 5.819 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc(Br)c1OC(C)C 1865698389 SAGCEXKFXWFHJK-HXUWFJFHSA-N 577.401 6.035 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702597 XOEZJLODYUJAPZ-SANMLTNESA-N 567.418 6.821 50 10 KKGE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)c1 1865704091 MWXNYQQTACPVIV-YTTGMZPUSA-N 526.640 6.807 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711852 JGEGIIJNSGFTAS-DEOSSOPVSA-N 516.960 5.626 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712374 WVLQDLQBLPKZCH-JGCGQSQUSA-N 554.650 6.811 50 10 KKGE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nn1-c1ccc(Br)cc1 1866849095 XFXFLZFTYKUWFJ-XMMPIXPASA-N 560.477 5.496 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[C@H](c2ccccc2)c2ccc(F)c(F)c2)cc1 1867117621 SNSUOOGTVCJGSZ-GGXMVOPNSA-N 557.622 6.132 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(c3ccc(Oc4ccccc4)cc3)CC2)n1 1868278187 VMYAGSYJJDHGSI-UHFFFAOYSA-N 508.651 6.475 50 10 KKGE Cc1cccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C(C)C)cc5)cs4)cc3C2=O)c1C 1872752285 VETQQSGQADTKTO-FVDSYPCUSA-N 519.626 7.301 50 10 KKGE Brc1ccsc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579210 BRMIVDALMQKWJS-RXMQYKEDSA-N 574.777 7.344 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)sc1C 1924583850 PTLYZBWAOQUIQS-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE Clc1ccc(C[C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 1924590461 JSKUMZIJIQMNHA-MRVPVSSYSA-N 538.324 7.368 50 10 KKGE Brc1sc(Br)c([C@@H](Br)Cc2ccccc2I)c1Br 1924612350 AVDCAAZMEGUUJM-ZETCQYMHSA-N 629.775 7.319 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)cccc2Br)sc1Br 1945321158 FRRMONGIERHFRH-LLVKDONJSA-N 503.879 6.828 50 10 KKGE FC(F)(F)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995048697 SMROONYWOUTDAR-SSDOTTSWSA-N 554.618 6.735 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2I)sc1Br 2026221086 IVYIZCYYNIOJQP-NSHDSACASA-N 550.879 6.670 50 10 KKGE CCc1cc(Br)c([C@@H](Br)Cc2ccccc2I)s1 2029234946 LHBLISCAXIFCCL-NSHDSACASA-N 500.037 6.356 50 10 KKGE CC(C)(C)[Si](C)(C)ON=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OS(C)(=O)=O 2065316068 AAPWYQTYJAUTOY-DCMFLLSESA-N 627.876 6.726 50 10 KKGE C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@]12C)C(=O)O 2070251914 JWRWEXWCMXUMDC-YTFBSYSHSA-N 562.908 7.425 50 10 KKGE Cl[C@@H](c1coc(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2085492898 TVONDEUIZRUBMS-NSHDSACASA-N 587.125 7.420 50 10 KKGE Brc1cc([C@H](Br)c2cc(C3CC3)c(Br)s2)ccc1I 2094667169 VRWQOXYJXJGFKS-ZDUSSCGKSA-N 576.917 7.239 50 10 KKGE Cl[C@@H](CCC1CCCC1)c1c(Br)c(Br)cc(Br)c1Br 2141476667 DYRDJNSWPOBJSH-NSHDSACASA-N 538.343 7.987 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1cccc(F)c1I 2203007463 MNJDJLGHOHWPPU-GFCCVEGCSA-N 534.388 6.339 50 10 KKGE COc1cc(F)c(F)cc1[C@@H](Br)c1cc(Br)ccc1I 2204501275 XTWYMRGSHYBZRA-AWEZNQCLSA-N 517.933 5.825 50 10 KKGE C[C@@H]1O[C@H](C)[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)[C@@H]1C 2206397984 PGBYGEUUHVYPNR-CSZWHVIDSA-N 598.793 7.232 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)Cc1ccccc1I 2206579306 LQDGOZSTQQUAOW-CQSZACIVSA-N 510.007 6.049 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cccc(I)c2)c(Cl)c1Cl 2224301499 ASFNODSHBHBCFU-LLVKDONJSA-N 510.811 7.342 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(F)c1F 2225936648 XXPDGYLYSIFPAW-LLVKDONJSA-N 505.897 5.955 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)Cc1cc(Br)cc(Br)c1 2263519002 MKSUUXLBGHTBOA-SNVBAGLBSA-N 518.894 6.418 50 10 KKGE C(=NCCN=Cc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2294778370 YPYYPCOFIRQIDP-UHFFFAOYSA-N 604.674 6.741 50 10 KKGE Clc1sc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2299530203 JYJNEVDPJHHSHN-KRWDZBQOSA-N 551.525 7.990 50 10 KKGE Cc1scc([C@H](Br)c2sc(Br)c(C)c2Br)c1Br 2303645087 YHENBCKEEPDLCF-VIFPVBQESA-N 523.935 7.198 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567305 IOCXSJIFTGABQC-UHFFFAOYSA-N 707.204 6.651 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)c1 2314433763 SGFWYHKQKUODLY-UHFFFAOYSA-N 578.698 6.063 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592743 AZAZRLJPJOVCAZ-AVRWGWEMSA-N 550.511 6.859 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCCC(C)C 2314617451 YQEOXMWQQORASV-UHFFFAOYSA-N 502.567 5.031 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(C(C)(C)C)cc3)ccc21 2314640709 PNHIVXQHJXRGNZ-YTTGMZPUSA-N 536.672 7.390 50 10 KKGE CCCCOc1ccc(CCC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2OC)cc1OCC 2314808107 WXKHMEZJZDYIIX-UHFFFAOYSA-N 546.620 5.627 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C)c1-c1ccc(Br)cc1 2329687282 FHQPJKJSSKGUGI-UHFFFAOYSA-N 529.843 6.862 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cc(C)ccc5C)cs4)cc3C2=O)c(C)c1 2331319639 SYZMTGWFYZCKAF-UHFFFAOYSA-N 505.599 6.794 50 10 KKGE COc1ccc(C(C)(C)C)cc1-c1csc(C(C#N)=C(O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 2331349480 WTZANSNDNYZHDF-DEOSSOPVSA-N 515.635 6.230 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OCc1ccc(C)cc1 2331416874 RGTGLBGXNPLYIE-UHFFFAOYSA-N 506.671 8.039 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1c(Br)c(Br)nn1C 2338721435 YMRNDWREQCALML-SECBINFHSA-N 536.287 6.154 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1ccc(Cl)c(I)c1 2360437875 TYDIESVKAFYAFN-NSHDSACASA-N 573.252 7.637 50 10 KKGE CCc1cc(Br)c(OC)c([C@H](Cl)c2csc(Br)c2Br)c1 2381251586 JCPOQAJQUMMEDT-LBPRGKRZSA-N 503.481 6.935 50 10 KKGE N#C/C(=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 29492412 SZEWYRCUORRRCD-LQVYZAQWSA-N 571.706 6.627 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc2noc(-c3ccccc3)c2c1 35515987 UFBDILHWRUEGPU-JCMHNJIXSA-N 519.582 6.946 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 38650930 CWZQOHWOQZKPES-PMERELPUSA-N 518.569 6.102 50 10 KKGE COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 38659980 QMRGDJNQWGLFBY-PMERELPUSA-N 518.569 5.659 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCC)c(OCC)c1 38679407 OKJHNDIWZTXCBA-LJAQVGFWSA-N 528.605 6.100 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)[C@@H](C)Oc3ccc(CC)cc3)ccc21 38683079 LFZVSQQDOORUMQ-OLILMLBXSA-N 512.606 6.019 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 38686677 VLUFNURSMBGMQE-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)c1OC 38688650 UQJSPRPLDUUWQR-RUZDIDTESA-N 510.546 5.813 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1OCc1ccccc1 40912375 SNTNWEIXYQDOOA-RWPZCVJISA-N 511.416 5.689 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 40977739 GALQFWHGRCDLHZ-XQNSMLJCSA-N 504.608 5.348 50 10 KKGE COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1C 59305366 PVERVTQYKJXMCX-UVHMKAGCSA-N 508.372 5.462 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 100327426 SRRSGEAOQBZVCV-WUKQQSQZSA-N 547.449 6.154 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100335565 RMJWXFOJYPAIEY-RQZCQDPDSA-N 600.325 5.241 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(C(F)(F)F)ccc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 101245860 NUIXMFUPHBGEMQ-RAMZYJDASA-N 570.036 7.349 50 10 KKGE CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 101341034 IPRGPEIGKRLLDN-UXHLAJHPSA-N 607.066 5.927 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 101341303 STNNBBOTWOSAHT-TURZUDJPSA-N 552.631 5.264 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@H]1c1ccc(Cl)c(Cl)c1 101365384 FUELEWWHGQJIRB-OAQYLSRUSA-N 516.724 5.992 50 10 KKGE C[C@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)cc1 101379197 DVRSXVUXMXWYRU-WWOZWPLTSA-N 571.004 6.649 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380564 SSLMCNITBONJLZ-HKBQPEDESA-N 536.559 5.780 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(C(C)C)cc5)ccc43)c2)cc1 101382412 XBZURWZVOROWIH-UMSFTDKQSA-N 560.650 6.900 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1 101383921 FEMZHUZUINILIR-NBLPZQPVSA-N 578.640 7.119 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385458 LYIFMJCBWSVXPI-HUBRWUETSA-N 590.676 6.736 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386173 XUQRGXWZPOZPAV-YPVWHBEOSA-N 621.133 8.062 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387484 FXFDYHSURKBBQF-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388182 SKPAGJROMPSFMX-SNSVSFJOSA-N 609.078 7.163 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(C)cc4c3C)ccc21 101393589 UMKAPMCJHHXUES-SANMLTNESA-N 559.416 6.567 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101394891 OCXHYYSMPMJTID-JOCHJYFZSA-N 539.465 7.367 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101395071 OPVANEXTUJNVGQ-MHZLTWQESA-N 573.443 7.120 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)CC1 101399700 YBWBUAITYGVJJQ-DXSDROHOSA-N 594.752 8.093 50 10 KKGE COc1ccc(/C=C\C(=O)NN(C(=O)/C=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1OC 102812727 ULJQVDZKNUMTOD-UKVBVZPVSA-N 545.617 5.122 50 10 KKGE COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103747984 KJBHISQDWTXKMF-FXMZOFOKSA-N 528.270 6.485 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1Cl 103796633 BCCIPLKDEVLGNV-CCVNUDIWSA-N 527.802 6.590 50 10 KKGE COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 105052288 KBJCNOCQMWPLPL-MUFRIFMGSA-N 539.426 5.747 50 10 KKGE COc1cc([C@@H](Br)c2ccccc2I)c(OC)cc1Br 134302837 CUQAOEQPAIMSAT-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccccc2Cl)c(I)c1 150382897 QOWUTDUHOLVJQF-OADPBGPJSA-N 674.704 6.092 50 10 KKGE CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150409012 CLWJFUBMUXPEOF-UHFFFAOYSA-N 629.143 6.146 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 150497884 UNKOAHATGSAMKD-HNSNBQBZSA-N 629.091 7.703 50 10 KKGE N#C/C(=C(/C=C(/CC(=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 150574041 DJWDGZLINXMBMC-SUEXKHKLSA-N 628.320 8.911 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)cc1 206745313 FMPLOFLKXKSIKE-WJFIJMCNSA-N 562.622 6.408 50 10 KKGE CC[C@@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)c(C)c2)C1=O 214258740 MMKDHCMATZTFFY-XYZKMYPFSA-N 536.676 6.663 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c1 214273558 MMNRERXLYMONKB-PKAZHMFMSA-N 508.622 5.966 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(Cl)c2)cc1Br 232345334 BZNPOXBJYZBIFN-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)sc2Br)cc1Br 236062090 RVKWMPRUAIHIGU-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE COc1c(I)cc(I)cc1C=NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 252604138 FWZUNSQMLOGNRV-FQEVSTJZSA-N 622.244 5.361 50 10 KKGE CCOc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccccc1 254339458 BNPVPJPAWBHZQZ-UHFFFAOYSA-N 531.406 5.913 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccccc1 254721505 PPETWBCZXRNXGY-UHFFFAOYSA-N 598.647 5.776 50 10 KKGE O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@H]2C[C@@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 256464248 VLVPZHPCZCEGRU-PDPNZBNDSA-N 829.308 5.569 50 10 KKGE Cc1cc(CCl)cc(Oc2c(I)cc(Cl)cc2I)n1 382201117 QDRDWPFODHYMDU-UHFFFAOYSA-N 519.935 5.784 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@H](c2cc(Br)ccc2I)C1 382714319 JDMWYVDDTKRKNN-RHSMWYFYSA-N 579.070 5.801 50 10 KKGE Clc1cc(I)c(O[C@H]2C[C@H](Cl)C23CCCC3)c(I)c1 388231844 GPPJIWXWOCTFFO-RYUDHWBXSA-N 522.979 5.868 50 10 KKGE FC(F)(F)[C]1C=C(P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C=C(C(F)(F)F)[CH-]1 642772044 GPUZAYSKEYUGDP-UHFFFAOYSA-N 670.274 9.922 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 725410047 HYYZHQXEAHJADF-QHCPKHFHSA-N 501.410 5.935 50 10 KKGE Cc1cc(-c2ccc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc([N+](=O)[O-])c1C 1084032825 WTPOSJKAWGDZHF-UHFFFAOYSA-N 518.573 7.002 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084038149 HRPDZYATXGFFMB-JOCHJYFZSA-N 590.268 5.453 50 10 KKGE COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 1084061243 YHMRVNQXHBNEPK-BJMVGYQFSA-N 551.993 5.915 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 1084101721 FNIKZPHQIOHVMV-DEOSSOPVSA-N 706.202 7.302 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084133258 YTSKYNSGEGLCTJ-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 1084396495 KBOTXOBSIFNDDP-XMMPIXPASA-N 580.306 6.698 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=C1C(=O)N(Cc2ccccc2)c2ccccc21 1084414224 ZFDBEBLYUSXOJL-UHFFFAOYSA-N 573.716 7.113 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084459201 QOBUPDXSBLJUBR-UHFFFAOYSA-N 569.514 6.131 50 10 KKGE O=C(NN=Cc1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 1084499899 YPBWBGVCVGEAOD-UHFFFAOYSA-N 510.037 6.241 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1cc([N+](=O)[O-])ccc1Cl 1084616741 RMHSJPAMKSEPOT-UHFFFAOYSA-N 522.024 6.758 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 1084631607 HLKUCTZIRDQZCT-LSCVHKIXSA-N 609.145 8.260 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@@H]2CO[C@H](c3ccc(CO)cc3)O[C@]21C 1088231725 HLUVLXBNVXJZAL-FLGHIYLRSA-N 558.791 6.980 50 10 KKGE CCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCCCCCCC)CC[C@@H]4[C@@H]3C[C@H](Br)[C@]2(Br)C1 1565536335 ZKUCDSCKSARUCE-XOHWRAHVSA-N 826.968 15.850 50 10 KKGE Cc1ccccc1C(=O)NN=C1CCCc2oc(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)c(C)c21 1772743630 HCGORUTUWZRAKH-UHFFFAOYSA-N 503.558 6.125 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772747289 MNRDJWVHQPNUQA-UHFFFAOYSA-N 527.824 5.792 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772748560 ZFONFXVMQRCECW-UHFFFAOYSA-N 535.644 7.157 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681057 DEEPVSRYDRABEE-QHCPKHFHSA-N 535.387 5.543 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cccc(Cl)c1 1865683571 MRVWNJBZSILVCG-QFIPXVFZSA-N 507.808 6.777 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(C)cc2)cc(Br)c1O 1865689995 YRAIEAUUTLZAOG-QHCPKHFHSA-N 543.421 5.602 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865690367 PIQFMCVVFHKTKO-WJOKGBTCSA-N 554.650 6.713 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2)cc1OCC 1865691149 KLSAXPWWHLUWNE-NDEPHWFRSA-N 536.632 6.013 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865692660 DOKFWOVJRKDAPN-NDEPHWFRSA-N 575.496 6.996 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695062 IOSPUYVHQUTMBT-GDLZYMKVSA-N 520.633 6.247 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696941 LRJVQQNYQUDNGG-QFIPXVFZSA-N 557.876 6.255 50 10 KKGE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704277 RQXSCXMHCADWFR-SSEXGKCCSA-N 516.576 6.329 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705484 WWGKQPPLBQILRE-HHHXNRCGSA-N 506.606 5.921 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Cl)c(O)c(OC)c1)C(C#N)=C(N)O2 1865707575 ZWWAHUXSRMMORA-LJQANCHMSA-N 505.789 5.386 50 10 KKGE C[C@@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866713396 DGYTWVRZUFEMIR-UQBPGWFLSA-N 524.111 6.464 50 10 KKGE CC(C)[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(Cl)cc1 1866751006 RHNLJWIUTGJEKK-FTJBHMTQSA-N 522.070 6.115 50 10 KKGE CSCC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)Nc1ccc(SC#N)cc1 1866783601 VXZOTFJZBXZKQY-LOSJGSFVSA-N 525.646 5.937 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(-c3ccccc3)n2)cc1 1868365944 ZAKNWPMJGGQFFY-UHFFFAOYSA-N 531.689 6.306 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1c(Cl)cccc1Cl 1872727592 MFXPWEHLCHJBLL-LICLKQGHSA-N 552.414 6.701 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)cc1 1872751942 IGJPBIJQKFBHBR-FTDPUFCBSA-N 519.626 6.634 50 10 KKGE CCCCCOc1ccc(/C=C(\C#N)c2nc(-c3cc(OC)c(Cl)cc3OC)cs2)cc1OCC 1872793741 QKOVUZPINJIYSC-XDHOZWIPSA-N 513.059 7.513 50 10 KKGE CC[C@H](Cl)CN(Cc1ccccc1)C(=O)c1cc(I)ccc1Br 1915113526 KHOSWBNWVDEVKJ-AWEZNQCLSA-N 506.609 5.714 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)c(C)o1 1924583383 JGDWSLFAMYMTMZ-QMMMGPOBSA-N 507.867 6.730 50 10 KKGE C[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)S(C)(=O)=O 2085495174 IGHXXIMVFPYAJX-PHNJOPHVSA-N 548.316 5.450 50 10 KKGE Fc1c(Cl)cccc1C[C@@H](Br)c1c(Br)sc(Br)c1Cl 2113470921 ORSQUZWPHJOQTQ-ZCFIWIBFSA-N 511.863 7.398 50 10 KKGE Clc1sc([C@@H](Br)c2csc3c(Br)cccc23)cc1Br 2115943812 ZSQUSNDLPMFJKY-NSHDSACASA-N 501.490 7.626 50 10 KKGE C[C@@H]1OCCO[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469498 VOIDXOQLAXOEIB-ZTWXUTTESA-N 542.287 5.820 50 10 KKGE COc1cc(Br)c(C)cc1[C@H](Br)c1cc(Br)cc(Br)c1 2145955805 IQGCKUGODNRGQH-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Cl)c2c(Br)sc(Br)c2Br)C1 2201881612 PPGZFDRQZXJMDX-HQLZOWSPSA-N 527.525 5.530 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)cc1Br 2202349705 AMFXXJNVPOJYJG-CQSZACIVSA-N 548.294 7.120 50 10 KKGE Fc1cc(Cl)cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206394156 FOVNUCXEUACHQI-CYBMUJFWSA-N 570.703 7.857 50 10 KKGE Clc1c(Br)cccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408528 KGXMLLOLBIGIIK-CYBMUJFWSA-N 631.609 8.481 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cc(I)sn1 2213488926 IQYMDCBXDCPJCZ-SNVBAGLBSA-N 555.830 5.896 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(I)ccc2Br)s1 2233025540 ZODXHAGNNMYBRM-ZDUSSCGKSA-N 594.932 6.899 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2277887079 CIHOBSRMXKQCMY-LBPRGKRZSA-N 531.933 7.331 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@H](Br)c1sccc1I 2277974397 JBLKEWXAQUMUAR-NSHDSACASA-N 536.454 6.570 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1scc(Br)c1Cl 2285070125 OEVOYOZNYKAIIS-GFCCVEGCSA-N 503.481 7.036 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 2293198292 RCDWPBWMXHVWLJ-HSZRJFAPSA-N 526.420 6.506 50 10 KKGE N#CC(C(=O)NCc1ccco1)=C1S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 2293198346 XFAUZDZIFRJDTQ-NRFANRHFSA-N 516.381 5.468 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2C)cc1 2294187428 NFYGZYCCZSTADY-UHFFFAOYSA-N 553.531 6.257 50 10 KKGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2c(C)c(Br)c(O)c(Br)c2O)cc1 2297321751 UWRPIAUKOJGUGX-UHFFFAOYSA-N 644.364 5.699 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Br)cc2)cc1 2297458562 CMSCCVIJNXGPJY-XMMPIXPASA-N 532.463 6.131 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 2297458690 VSESMOASXMDVGC-XMMPIXPASA-N 611.359 5.997 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(Br)ccc2Cl)s1 2300954464 XZKHIRALQWZJBR-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE Clc1cc(I)c([C@H](Cl)c2cc(Br)ccc2I)s1 2301086325 MXNKVPUZQQEPHS-SNVBAGLBSA-N 573.846 6.701 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313566782 ACDKYMCPEAVUKH-UHFFFAOYSA-N 625.317 5.775 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc3ccccc23)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568395 VOZZYDLYMNYOSA-UHFFFAOYSA-N 678.368 7.042 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 2313667926 YOQAVVBBHWLMEJ-UHFFFAOYSA-N 530.249 7.497 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 2314478807 WDHOWSKVLQGPGT-UHFFFAOYSA-N 545.067 8.446 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591809 FLOZJBDXNMWQMC-RUZDIDTESA-N 501.583 5.598 50 10 KKGE CC(C)c1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593802 TYTLAPOCVZAHHX-MUUNZHRXSA-N 509.675 6.998 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314617936 DIOBABSVBHDQDJ-UHFFFAOYSA-N 540.689 6.059 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)cc1OCC 2314634745 FCEOOJYZMVZZOZ-JGCGQSQUSA-N 538.644 6.800 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OCC 2314634797 MHSKEMQYRZDOLA-PMERELPUSA-N 545.035 6.755 50 10 KKGE CCOc1ccc(C)cc1[C@@H](C)NC=C(C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324599255 DCNUDVMXLMGYMG-RUZDIDTESA-N 508.666 5.386 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 2331249133 UJEGXOOJVFEXBZ-VWLOTQADSA-N 507.571 5.519 50 10 KKGE CCCCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(F)cc3)cs2)cc1OC 2331459184 XBTOHANGVMNQOA-UHFFFAOYSA-N 515.448 7.744 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)sc1Br 2335294982 WVKUOGVQBBAWHR-SECBINFHSA-N 532.281 7.810 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)s1 2338719625 JLSJPWXNGPHXDO-ZETCQYMHSA-N 537.897 5.400 50 10 KKGE Clc1cc(Br)c(OCc2sc(Cl)cc2Br)c(CBr)c1 2345951307 CHPYQPOUSGDBCL-UHFFFAOYSA-N 509.872 7.054 50 10 KKGE CCC[C@@H]1CC[C@@H](Br)[C@H](Cc2ccc(I)c(Br)c2)C1 2349809459 SYDGXFUSAWSESN-KWCYVHTRSA-N 500.056 6.576 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2cccc(Cl)c2Br)c1Br 2362232351 NEDQZBPXCBFIQE-NSHDSACASA-N 570.703 7.904 50 10 KKGE FC(F)(F)c1cc([C@H](Br)c2sc(Cl)cc2I)ccc1Br 2364123648 WRFXYASNWYWOQZ-JTQLQIEISA-N 560.398 7.272 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)c(C)c1F 2365596421 UZUUFHMKMWISTA-CQSZACIVSA-N 532.416 6.947 50 10 KKGE N#C/C(C(=O)Nc1ccc(Br)cc1)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1790167 QGMJQOIVFQUJKF-ZUGOUDHMSA-N 591.289 6.960 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 14646015 FGQDYEBYUYBJEA-UHFFFAOYSA-N 520.493 5.121 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 33378111 MHWNWIJOKILUDV-VQIPHFLVSA-N 518.566 5.255 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)c1 33759216 ITKXQADJDRUZPP-XLNRJJMWSA-N 522.634 5.510 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1I 34767122 HSVILBOFKZRUMP-AQTBWJFISA-N 514.750 6.069 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 38604374 LXCRPROINNHJIO-YZSQISJMSA-N 510.663 6.432 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1OC 38658669 DBKZRMXSVQGOBE-PMERELPUSA-N 518.569 5.659 50 10 KKGE N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc(-c2ccc(Br)cc2)cs1 39885019 CTAPTMPBXSQANZ-GXDHUFHOSA-N 502.220 8.204 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813272 CYXDCRFIJRTHIS-FEZSWGLMSA-N 513.981 6.756 50 10 KKGE Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 40822638 HZMRMYIYMOWVOH-INKHBPHZSA-N 512.009 6.940 50 10 KKGE CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)c(Br)c1 40960099 NBRDGDRNXRAZCV-LQKURTRISA-N 511.416 5.518 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(C)cc1 59333302 NBYKYKVXGMMMBK-VFCFBJKWSA-N 507.634 5.567 50 10 KKGE Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2I)cc1 59335298 HNBQPYNFCKYOEF-BKUYFWCQSA-N 508.359 6.033 50 10 KKGE CCCCOc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(Cl)cc2)C(=O)CCl)cc1 97915103 JLSHUMOGHMWAQQ-SANMLTNESA-N 505.486 6.277 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)cc1 100233449 USODZZHFVKPUFW-PEHSQKLVSA-N 600.466 5.698 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(=O)n(-c2ccccc2)n1C 100897878 HFZLAYBUJFLHCQ-QJOMJCCJSA-N 540.583 5.629 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 101286615 XQMVGRJTSWKNFB-VUTHCHCSSA-N 532.644 6.338 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1Cl 101336118 QRSFPFYOTAROPY-BUVRLJJBSA-N 545.039 5.609 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(CC)cc4)ccc32)cc1 101378093 BYSSXIXYEQMRMX-HEIROHQZSA-N 554.687 7.189 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379072 DEOCUOSSWQRJIS-DIRGTLEOSA-N 549.026 7.064 50 10 KKGE Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380696 VGKINCKQQYXJHM-YQSCABMFSA-N 532.571 6.550 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381315 VUNSUPQWZSHNTO-WJOKGBTCSA-N 621.904 7.737 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)c1 101388310 KPBROLAEHDTQNQ-XIFFEERXSA-N 611.094 7.544 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1 101392971 WBFUQWXETMTXPN-YTTGMZPUSA-N 586.644 7.383 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc21 101397256 QGPKQNMJXZVLHL-SANMLTNESA-N 545.060 7.561 50 10 KKGE COc1cc(/C=C(/C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccc(Br)cc1 101907072 PKVICSPMUSXIJJ-NVMNQCDNSA-N 578.098 7.626 50 10 KKGE Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1 103878411 DUWIDZMJCGWQTN-UVHMKAGCSA-N 589.227 6.451 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)N/N=C/c1ccc2ccc3cccc4ccc1c2c34 105151445 RMEHTWMAHATXIC-ZSNJKBEMSA-N 566.690 7.019 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4ccccc4)c(NC(=O)c4cccs4)s3)o2)cc1 109557038 VZFRMFPFROFSEC-XLNRJJMWSA-N 551.649 7.625 50 10 KKGE Brc1cccc(C[C@H](Br)c2cc(Br)c(Br)s2)c1 128200923 MQDKPFIMJKVPIK-VIFPVBQESA-N 503.879 6.714 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 214306583 HBVSOKDASHCIAL-QXPFVDMISA-N 586.692 6.526 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214369100 NWGXJDUKZQMWJK-IMRQLAEWSA-N 633.661 5.698 50 10 KKGE C/C(C=NNC(=O)CNc1c(Br)cc(C)cc1Br)=C\c1ccc(C(C)C)cc1 254296491 UKMPYBLTJCJTGG-GVHWJASASA-N 507.270 6.261 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 263584680 YYGPOUVOBLNWHS-XLQSZZCKSA-N 629.175 12.649 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589160 PGJKESPHANLWME-WREUHHFESA-N 970.194 10.101 50 10 KKGE CCCOc1ccc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 1083870645 UTSHWCHKYJPWFG-UHFFFAOYSA-N 533.572 5.148 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083887564 NSIYBXXAKARCAY-UHFFFAOYSA-N 510.830 5.301 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc(Br)c1 1083892776 XAIFDMRDJVVNKE-UHFFFAOYSA-N 566.477 5.098 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(Br)cc1 1084014722 LVIXTQNZOWJUFO-UHFFFAOYSA-N 619.253 6.542 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)c2C)c1 1084218698 QYMHRXOOUWBOGX-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 1084379316 CNULTKVAYRZFOB-GIJQJNRQSA-N 526.774 6.444 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(I)cc1 1084461358 NJTGKACWJYTEKX-LICLKQGHSA-N 627.693 7.775 50 10 KKGE CC1(C)CC[C@@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]6(C)C[C@@H](O)[C@H](Br)C(C)(C)[C@@H]6CC[C@@]54C)[C@@H]2[C@@H]1OC3 1565534815 KJMGDBGFBNCRQT-KHUCOVMNSA-N 521.624 7.611 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772748219 OVYWQTSAGXDVFZ-UHFFFAOYSA-N 538.944 5.049 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)cc1 1772754390 SXJIULYRIXJICX-UHFFFAOYSA-N 509.444 6.297 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 1848665473 KCEQSXCXMOAMQF-JUVSKBSQSA-N 561.335 10.908 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695377 CCXXUJRTGPRJBX-HXUWFJFHSA-N 529.822 5.232 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865696277 YURCLFIOCAVQJO-RUZDIDTESA-N 530.987 6.016 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Br)cc2)cc1OC 1865696403 GEHRNKLHORGJCX-HXUWFJFHSA-N 574.273 5.585 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865697076 WJEVGCYCWYNGKI-HSZRJFAPSA-N 544.549 6.275 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OC 1865697334 ZXJMPLUHCGVCIH-NRFANRHFSA-N 532.950 6.340 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865698473 UUKIGASUEWVWTO-SFHVURJKSA-N 523.298 5.246 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703908 INVCJWNRKKCYHN-HHHXNRCGSA-N 511.025 6.253 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc(Cl)c2)cc1 1865709231 RLIKKTRYSAIULB-QHCPKHFHSA-N 512.953 5.206 50 10 KKGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866666562 CGLVTFIQADQDFL-HXUWFJFHSA-N 515.060 5.296 50 10 KKGE Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1866679137 JABZYTXJILIAHU-NDEPHWFRSA-N 568.699 6.135 50 10 KKGE CC(C)Cc1nc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)c2ccccn12 1866864197 LSKCJLSEIKROSX-HSZRJFAPSA-N 515.614 5.225 50 10 KKGE CSCC[C@H](NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)C(=O)Nc1ccc(SC#N)cc1 1867046543 QAFKROLPRWLPFF-VXKWHMMOSA-N 567.762 5.190 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)CCc2csc(-c3ccccn3)n2)cc1 1867059003 ZMSDJWIBEBTPSV-RUZDIDTESA-N 559.742 5.768 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN([C@@H](C)c4cccs4)CC3)n2)c1 1868506167 SERWLDBYAOSHRL-FQEVSTJZSA-N 528.707 6.414 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c4ccccc34)cs2)CC1=O 1872758770 PRPFUIDVPYDVEB-QGWGLQGESA-N 509.631 6.689 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1OC(C)C 1872782571 OATCXUWFLTXGPF-UFFVCSGVSA-N 505.437 7.586 50 10 KKGE CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN(Cc1ccccc1)Cc1ccccc1 1923386449 MQUXRMIVOYZDOI-YTTGMZPUSA-N 565.739 6.380 50 10 KKGE Brc1cnccc1C[C@H](Br)c1scc(Br)c1Br 1924070814 OTTLEDKQOAOSOW-ZETCQYMHSA-N 504.867 6.109 50 10 KKGE Brc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924579211 BRMIVDALMQKWJS-YFKPBYRVSA-N 574.777 7.344 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc(I)c1OCc1cccc2ccccc12 2053515845 MOCNZUWJSLEEDE-UHFFFAOYSA-N 649.441 6.885 50 10 KKGE Cn1ncc2cc([C@H](Br)c3c(Br)sc(Br)c3Cl)sc21 2118609827 BZSQCFJVMZRTLP-ZETCQYMHSA-N 505.482 6.359 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2c(C)nsc2Br)c1Br 2136373661 DUQQUMMJKYPPKS-GFCCVEGCSA-N 532.921 6.840 50 10 KKGE Clc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1Cl 2141473364 OBPYAYPSBXTTOK-SECBINFHSA-N 637.638 8.589 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2141474261 YPNGIHYAPLDGJJ-NPLPXDQHSA-N 578.762 7.075 50 10 KKGE CC(F)(F)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206398402 UVHDUCGKTLODGP-LLVKDONJSA-N 560.296 7.842 50 10 KKGE ClCc1nc2cncc(Br)c2n1-c1ccc(Br)cc1I 2240289239 MMLDONBQIDWQTK-UHFFFAOYSA-N 527.385 5.289 50 10 KKGE Cc1c([C@H](Br)c2c(F)cc(Br)c(F)c2Br)nn(C)c1Br 2288482802 HZVWTPDYSHRJLR-SECBINFHSA-N 537.822 5.779 50 10 KKGE O=C(Cc1ccccc1)Nc1cccc(C(=O)NN=Cc2ccccc2OCc2ccccc2[N+](=O)[O-])c1 2297710145 YBZJXIKZCRXXAO-UHFFFAOYSA-N 508.534 5.119 50 10 KKGE F[C@H]1C[C@@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2307191671 XVFVYZZUIQYFDV-XOGFGSHOSA-N 514.252 6.765 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl 2313631299 NSHCJCXLFMNULM-UHFFFAOYSA-N 502.195 6.881 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Br)cc1 2313631446 QDKKVLGANRHQOE-UHFFFAOYSA-N 532.221 6.889 50 10 KKGE Clc1cccc([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1Cl 2314449889 UILOFMLWLOILII-LJQANCHMSA-N 501.045 7.819 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(Oc3ccc(Cl)cc3Cl)nc12 2314533459 RDMSUHNOJVYLDK-UHFFFAOYSA-N 570.230 6.410 50 10 KKGE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C(C)=C(C#N)C1=O 2314611485 VGVMMVKMIQNAQS-DEOSSOPVSA-N 556.666 6.818 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1Br 2314617514 ZODHDKMJVXCHDU-UHFFFAOYSA-N 593.481 6.411 50 10 KKGE C[C@@H]1C[C@H]2C[C@]([C@H](Br)c3c(Br)sc(Br)c3Br)(C2)O1 2319796374 ARFDNUYRIBPYSA-JCRVUAEBSA-N 523.910 6.429 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1 2328824704 ZFAKZTZESNUBRW-QFIPXVFZSA-N 508.446 5.962 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Br)n2)c1 2331319885 XBRRALGXSMAAHQ-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1C 2331402701 HIUCVZSFPSFUCD-UHFFFAOYSA-N 507.571 6.186 50 10 KKGE CCCCOc1c(Br)cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3)cs2)cc1OC 2331429762 ZWFLVBJFCNWKMA-UHFFFAOYSA-N 513.457 7.141 50 10 KKGE Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1OS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 2333271030 ZZMOJCPJGSXIEK-CPCREDONSA-N 737.165 9.389 50 10 KKGE Fc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)cc1Cl 2351643835 ZQYSSJSJBPKECK-QMMMGPOBSA-N 532.281 7.857 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363838495 KBQGRIOUIKGJFY-FHWLQOOXSA-N 506.156 6.576 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)c(I)c1 2365195526 CBXIWTLYHFUUJK-LBPRGKRZSA-N 597.285 7.401 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2cc(C)c(Br)s2)c1Br 2365230159 HFVRFDZLIMZSBX-LLVKDONJSA-N 547.932 7.145 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 38650530 FFRDDEIRPTVOJD-SANMLTNESA-N 504.970 5.558 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 38679273 IOWGIRIKTRQSJI-CRYYWNKWSA-N 518.541 5.214 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccccc3OC)ccc21 38682745 YNIRVBKLSLCKOC-NDEPHWFRSA-N 500.551 5.077 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5cccc(Cl)c5)ccc43)c2)cc1 38686663 MKQJEFLETKXLEZ-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)c1 40530031 BBRSAJQXWRQAOC-VKGTZQKMSA-N 516.569 5.986 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 59117364 UVQDPBPSWORSEH-LICLKQGHSA-N 502.195 6.881 50 10 KKGE Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(Cl)c1Cl 59679916 ABNOTVWXKXIIRB-KBKYJPHKSA-N 505.199 6.674 50 10 KKGE O[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 100032561 GHRJRGCCQPSIFG-BHVANESWSA-N 539.575 6.344 50 10 KKGE CCCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 100165542 YOOMLQJWPVPGKQ-UHFFFAOYSA-N 609.340 5.258 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232699 NWJMRECKAWUCJA-UDWIEESQSA-N 536.382 6.189 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 100451646 LLJWMKCQGDEQRZ-MGCJZSHXSA-N 536.253 6.299 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244763 XXOPXZXKAAOETI-FYAMCCBRSA-N 548.462 5.913 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245423 GAKAQFKRWZOPSZ-IDJUBOEBSA-N 536.484 6.929 50 10 KKGE COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 101340820 BUZRSMTZRXBFCW-WGOQTCKBSA-N 535.003 5.994 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1OC 101367859 PVLXAJYSHCEGTN-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 101369161 RQERHRXJUAMSGV-JOCHJYFZSA-N 556.756 5.457 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)cc1OCC 101374001 IDFYOJQNTGVESW-ADXZGYQBSA-N 546.595 5.994 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1Cl 101374336 PJJKTMJTDKNANW-MHZLTWQESA-N 583.468 6.873 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Br)cc5)ccc43)cc2)cc1 101378493 PAQRCQVHPKYECK-HKBQPEDESA-N 597.465 6.539 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380160 XGMUDBSIHSFXIH-NDEPHWFRSA-N 526.951 6.495 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1F 101386961 IMEPQXPIXPINIQ-GDLZYMKVSA-N 601.974 6.412 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101395704 BPCLOGDWTAODLT-JGCGQSQUSA-N 580.681 7.709 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NN(c5ccccc5)c5ccccc5)c(C)c43)coc2c1 101620282 IITZLEDRGNEDKS-ROMHNNFLSA-N 560.654 6.833 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccccc2)cc1Cl 102666311 GTYAAEAQPKOHTI-XCQFTPQJSA-N 542.875 7.020 50 10 KKGE CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 102667099 CIKGZUDFGSJXDF-ZDDKYUFNSA-N 511.603 5.237 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCC(C)CC2)N(CCc2ccccc2Cl)C(=O)CCl)cc1OC 102778825 CZEGPPIACWDSJS-NRSFRHGKSA-N 549.539 6.184 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccc(C(F)(F)F)cc3s2)ccc1OC(=O)c1ccccc1Cl 102930351 YZFVDOXGTQHEPY-GDNBJRDFSA-N 514.912 7.260 50 10 KKGE CCCCCCCCCCCCCCCC(=O)SSC(=O)CCCCCCCCCCCCCCC 137993363 MQPSNXWBUPIDQX-UHFFFAOYSA-N 542.980 12.384 50 10 KKGE in-vitro O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc(I)cc2)c(I)c1 150382839 DUKKOQKZTFSAOI-OADPBGPJSA-N 719.155 6.201 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)cc1 150410948 DLLWQLJLJMJCFF-UKCWQBPBSA-N 676.795 5.808 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150413352 AELGLKWTVHGLBA-UHFFFAOYSA-N 637.394 6.038 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@H](C)Cl)[C@@H]1O 150650769 ZGCNMHQDCCSXMS-GQRYPRQWSA-N 663.406 6.422 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2)cc1OC 198745060 CENNDMXDNQVBAC-ATZGPIRCSA-N 579.436 6.573 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C)cc4)ccc32)cc1OCC 205657354 FCEOOJYZMVZZOZ-XAYSVVRLSA-N 538.644 6.800 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)CC)C(=O)C(C#N)=C2C)cc1C 214256119 JKSXDTJSYPXFQL-XOASYVKCSA-N 506.606 5.803 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214297344 MZLZHLKQHIJKIS-YQYKVWLJSA-N 586.692 6.446 50 10 KKGE O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NN=Cc1c(F)cccc1Cl 252610276 HZVCXEYBDGGZEG-UHFFFAOYSA-N 528.820 5.127 50 10 KKGE COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2sc3ccccc3c2OC)cc1OC 254866012 UYEJGJDGKFLQOC-UHFFFAOYSA-N 514.607 5.018 50 10 KKGE Clc1cc([C@@H](Br)c2cc(Br)ccc2Br)c(Cl)c(Cl)c1Cl 405110484 ZJXWBTRQDWQWAO-JTQLQIEISA-N 542.707 8.310 50 10 KKGE CN1C(=O)[C@@H](Cc2cc(CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)cc(-c3ccccc3Cl)c2)N[C@H]1C(C)(C)C 504221781 AOXVANDYHWTODN-XNMGPUDCSA-N 595.269 7.748 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@@H]([C@@H](C)C(C)(C)O[C@H]1CCCCO1)S(=O)(=O)c1ccccc1 575416944 FZTPBALCQSLXDA-FUCYIZTPSA-N 769.218 10.984 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 725398637 AUKXVBZMKKTTEZ-DEOSSOPVSA-N 655.302 6.134 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cc(Cl)cc(Cl)c1 725425714 OURNQCOGNOQPLR-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccccc1C#N 1084001089 JXLKCWMQQGGAPH-BUVRLJJBSA-N 557.448 5.164 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21 1084127254 JJBUEJLSHHDTCK-UHFFFAOYSA-N 526.061 6.230 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 1084341921 RIUFHMXIMPKVFU-UHFFFAOYSA-N 573.649 6.893 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(C=NNC(=O)C(=O)N[C@H](C)c3ccccc3)o2)Cc2ccc(Cl)cc2Cl)cc1 1084356904 UNPAKZXTHKHKSR-OAQYLSRUSA-N 627.550 5.613 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084405090 HFYGLTXMQDYZPC-LICLKQGHSA-N 546.204 6.579 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 1084432782 ZCFPDUFMVYLINR-KGENOOAVSA-N 507.373 6.545 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1F 1084472691 OFZRKYMTQKKSKI-QFIPXVFZSA-N 515.379 5.140 50 10 KKGE O=C(Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1084552342 GGGKGXZUTBRZRR-UHFFFAOYSA-N 537.153 5.647 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccccc1C#N 1084627192 DGKZWSLNNXFPAT-VXLYETTFSA-N 571.258 7.151 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 1614653291 SEXJYDGCBZHKEU-DYTUUQAPSA-N 553.728 6.732 50 10 KKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)c1 1772745124 SPNHPAIHNGIQDC-UHFFFAOYSA-N 505.618 6.209 50 10 KKGE COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772748849 ONUWSQNXCYLZLK-UHFFFAOYSA-N 536.584 5.583 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5cccc6cccnc56)c(C)c43)coc2c1C 1772751606 HHIHNYOWCYAQED-UHFFFAOYSA-N 520.589 6.151 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686009 QAVSHGITOACJJV-QHCPKHFHSA-N 555.824 6.924 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc(Br)c1O 1865688166 LTOWDRFFMFHXRV-JOCHJYFZSA-N 563.839 6.278 50 10 KKGE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865689866 FIZNGWZHWALRGF-AREMUKBSSA-N 517.416 6.344 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)cc1OCC 1865690832 CFJYPAXLCPXUFD-HHHXNRCGSA-N 530.669 6.401 50 10 KKGE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695100 JYXUZZJFUYYPBC-HHHXNRCGSA-N 511.025 6.584 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)cc1OC 1865695980 JJAVUNYZPQZBBJ-JOCHJYFZSA-N 546.977 6.730 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865698870 FHMFSHBTVSPRRP-RUZDIDTESA-N 542.426 6.565 50 10 KKGE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1Cl 1865702938 IRYDIDLNKNRRDA-FQEVSTJZSA-N 502.924 6.008 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865705719 DADOKTHKMONTJU-XMMPIXPASA-N 514.969 5.193 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711640 DGYXOYPSEXYLHA-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867097519 COVNLWRGZSHVOL-AMGIVPHBSA-N 521.633 6.424 50 10 KKGE CC[C@](C)(NC(=O)[C@H](CC(C)C)c1ccc(OC)c(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867207075 GFVIZDSCHZKVNB-NLFFAJNJSA-N 532.504 6.084 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)n2)cc1 1868320397 ITDBSIKAEFVWHV-RUZDIDTESA-N 556.533 7.743 50 10 KKGE COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)N(c1cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n1)CC2 1868342005 HIKNSZWBMQJTTN-SSEXGKCCSA-N 569.706 7.399 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433179 GVDTWZJAOSDTMB-XMMPIXPASA-N 552.025 8.474 50 10 KKGE C[C@H](CCBr)N(Cc1ccccc1)C(=O)c1c(Br)cccc1Br 1915123906 BPWDVJRVJOODIF-CYBMUJFWSA-N 504.060 6.028 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1Br 1924593250 CTDZJOGJEKKEOC-VIFPVBQESA-N 582.775 7.591 50 10 KKGE C[C@H](CC(C)(C)C)[C@H](Br)c1c(Br)sc(Br)c1Br 1924611645 DGBPVZCZSLJHCU-SVRRBLITSA-N 511.943 7.544 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCO2)c1Br 2025779286 FNGONIMKRHAGJK-CPCISQLKSA-N 556.712 6.352 50 10 KKGE COc1sc([C@H](Br)Cc2ccccc2I)cc1Br 2034641224 MHFZKNWAZITVKQ-SECBINFHSA-N 502.009 5.803 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Cl)c1cc(I)ccc1Br 2097834531 LYCLXVGTCUTKMR-ZDUSSCGKSA-N 538.807 6.937 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1CC(C)(C)[C@H]1OCc1ccccc1 2100210623 NFSUFLATAAYHJV-XLIONFOSSA-N 501.690 6.818 50 10 KKGE C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br)C(C)(C)C 2123272420 ZKWUZRIQSLZEEC-OAHLLOKOSA-N 503.300 5.970 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1Br 2138848866 BUOYFUBOEDWYDV-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE CCOc1ccc([C@@H](Br)Cc2ccccc2I)c(Br)c1 2143867768 GXTCWNQTEFVZPH-AWEZNQCLSA-N 510.007 6.131 50 10 KKGE O=C1Cc2cc([C@@H](Br)c3cc(Br)c(Cl)s3)c(Br)cc2N1 2172568256 AUECAWWFSUXXAN-GFCCVEGCSA-N 500.437 5.905 50 10 KKGE Oc1nc2cc([C@H](Br)c3cc(Br)c(Cl)s3)c(Br)cc2[nH]1 2172568293 BCOOLWQDOAPMMI-JTQLQIEISA-N 501.425 5.993 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Br)cc2Br)c(F)c1Cl 2201608391 NGYSZWKCSMRLLB-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)c(F)c1Cl 2201618404 ISVQTEGNZPAPOY-JTQLQIEISA-N 509.797 7.281 50 10 KKGE Clc1cccc(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206397094 DWQZHTAGMPULQX-VIFPVBQESA-N 611.191 8.069 50 10 KKGE Cn1nc(Br)c([C@@H](Br)c2c(Br)sc(Br)c2Br)n1 2214374702 ZRKLBLFHOANJFD-VKHMYHEASA-N 573.728 5.411 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2cc(C)ccc2I)s1 2224051961 BEUIPGMYRZRTHM-CYBMUJFWSA-N 500.037 6.470 50 10 KKGE Fc1cc(F)c([C@@H](Cl)c2cc(I)ccc2Br)c(F)c1Br 2236102858 NJUQUGHGCJOIJK-LBPRGKRZSA-N 540.342 6.562 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2sc(C)c(C)c2Br)c(C)c1Cl 2237633205 ISWDXXDTHOHYOL-ZDUSSCGKSA-N 501.509 7.644 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2csc(I)c2)c(C)c1F 2253516712 PHBDHZWEDCROHK-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE Cc1c(Br)cccc1CO[C@@]1(CI)CCCN(C(=O)OC(C)(C)C)C1 2256389971 NDFFZLGWPGYVKI-LJQANCHMSA-N 524.237 5.479 50 10 KKGE Clc1ccc(I)cc1Oc1ccc(CBr)cc1Br 2259929846 FPAAINVETCJRPT-UHFFFAOYSA-N 502.371 6.394 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2cc3sc(Br)cc3s2)c1C 2278029354 MOGSSYLYWWKBOK-GFCCVEGCSA-N 501.128 7.650 50 10 KKGE Cl[C@@H](c1cc2sc(Br)cc2s1)c1c(Br)cccc1Br 2278099170 CSYPZXVVPRSNKR-ZDUSSCGKSA-N 501.490 7.579 50 10 KKGE Fc1cc(Cl)c([C@@H](Cl)c2cc(Br)c(Br)cc2F)cc1Br 2285950865 RZRDIUZRDROZLS-CYBMUJFWSA-N 509.797 7.234 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1cccc(F)c1 2297635558 QNFWTGZSULRWPX-UHFFFAOYSA-N 535.369 5.662 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313545943 QHFGORCDUKOQFC-UHFFFAOYSA-N 638.462 5.433 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OC 2313571588 ZVJAKSOQCPHASA-UHFFFAOYSA-N 503.123 5.161 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314448493 IFVJACLFWXFFDT-OAQYLSRUSA-N 525.078 7.583 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 2314532822 MOAFYWOGKVPKMB-UHFFFAOYSA-N 504.468 5.668 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592211 NXRGXDOHXGFVIJ-SANMLTNESA-N 566.510 7.190 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C(C)C)cc1 2314592654 ZOWXBMWAQBNRSY-AREMUKBSSA-N 566.510 7.190 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 2314617198 SNYOWIIVMLNEJN-UHFFFAOYSA-N 632.786 7.284 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 2314634137 QLKZZDRZBWDBJS-JGCGQSQUSA-N 530.580 6.111 50 10 KKGE COc1cc(C=C(C#N)c2ccccc2)ccc1OC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 2314720082 DJQQKYCOJMWPGV-BJKOFHAPSA-N 541.239 6.564 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)C=Cc1ccc(Cl)cc1Cl 2314737052 JFIYEDZKDLMOPB-UHFFFAOYSA-N 507.373 5.844 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(C)cc2)sc(C)c1-c1ccc(Br)cc1 2329632738 JXCVLZKWJGQJRP-UHFFFAOYSA-N 509.425 6.517 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331235004 DVYWONBPLNNYTJ-UHFFFAOYSA-N 512.478 5.608 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)cc1Br 2336082059 XCUBTDGLFCAJNC-FQEVSTJZSA-N 563.486 8.067 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(Br)c2Br)c1Br 2362226716 WTUYENUABUGAEO-LLVKDONJSA-N 615.154 8.013 50 10 KKGE C[C@@](CBr)(OCc1ccc(I)c(Br)c1)c1ccccc1 2377612969 TXSJANFFONAOLS-INIZCTEOSA-N 510.007 5.881 50 10 KKGE CC(=O)C1=C(C)NC(SCC(=O)Nc2nc3ccc(Br)cc3s2)=C(C#N)[C@H]1c1cccnc1 8439221 YEHVIBXSSACOSV-OAQYLSRUSA-N 540.468 5.111 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2Br)cc1 14832344 ODKPNUQPTAYCJI-SFHVURJKSA-N 505.453 5.762 50 10 KKGE O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 29471400 SPPXIUOVSUAEGS-UHFFFAOYSA-N 546.586 6.807 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 39858804 AWOSXFLMZGILHU-UYRXBGFRSA-N 518.495 5.977 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 66201428 DZPWZJHIBINBMR-UHFFFAOYSA-N 501.627 5.511 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Br)cc1Br 100173422 HYVRAVFNANHRLD-UHFFFAOYSA-N 557.308 5.120 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 100206095 FNBCWQPFSKAZEG-UHFFFAOYSA-N 558.860 5.212 50 10 KKGE COC(=O)c1ccccc1-c1ccc([C@@H](Br)[C@H](Br)c2ccc(-c3ccccc3C(=O)OC)cc2)cc1 100221859 MXTJPALAYURKDE-VSGBNLITSA-N 608.326 8.166 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 100235811 YTJMUKHBSNVCCN-PCYMAAINSA-N 608.302 6.292 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC[C@H]1CCCO1 100883426 BZABBPOVUIHSDM-DERLZNSQSA-N 539.035 5.974 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101333100 CPOKWJWBZZLEKX-TWDAMHRMSA-N 597.741 5.352 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)C1=O 101333249 ITBNRYHKGLVMQU-LFVJCYFKSA-N 539.592 5.629 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369466 BPNRCDDDKFAZLW-APYJYERMSA-N 546.623 7.193 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)ccc1OCC(C)C 101374310 KZACBLSZQYUXMT-KWMCUTETSA-N 532.568 5.460 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 101388525 OSZNWNFANPCIHG-YTTGMZPUSA-N 597.067 7.154 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101390810 MKULFLIAUKKEDQ-DEOSSOPVSA-N 599.923 8.478 50 10 KKGE N#C/C(=C/c1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1)c1nc(-c2ccc(F)cc2)cs1 103632915 IQPQCPADHKVDID-GACBQCINSA-N 534.616 8.340 50 10 KKGE C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 103746693 ZAXFHSSNTPYZTL-WEDYXBIJSA-N 524.573 5.111 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc(C)c3)c(I)c2)cc1 103887512 ABIREZOCPZREDY-JAIQZWGSSA-N 587.255 6.795 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@H](Br)c1ccccc1I 125682833 DCFSRRIMYNRTBW-OAHLLOKOSA-N 510.007 6.163 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 150429029 BGSMEQQSDGMXKP-APTYXWLQSA-N 634.365 6.552 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433773 DKRLJWVCRWXKTG-JGCGQSQUSA-N 720.403 9.226 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)CC1 150462308 XYEBYNOXSYUNNM-GLFASVCFSA-N 649.615 9.091 50 10 KKGE ClCc1csc(CCOc2c(I)cc(I)cc2I)n1 156070415 FOISDDKUWNBCHT-UHFFFAOYSA-N 631.442 5.317 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 163273758 XYKZUELYTXDGNI-OOEWDAAOSA-N 622.741 7.482 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 164620731 KUUPIOLVJGLZLF-RQRWGXNHSA-N 667.818 9.518 50 10 KKGE CCCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 207116465 HONMPIHPEBBYHU-WDCYCYNXSA-N 540.616 5.725 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)c(C)c2)C1=O 214210141 DUNQYSSTMINXMM-VEILYXNESA-N 528.612 6.039 50 10 KKGE Fc1cccc(F)c1C[C@H](Br)c1cc(I)ccc1Br 236188947 DJTUGQUPYBGHBH-LBPRGKRZSA-N 501.934 6.011 50 10 KKGE O=C(COc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1)NN=Cc1ccccc1F 252675797 VCXNIMYSHGBMGL-UHFFFAOYSA-N 509.968 6.890 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)([C@@H]4Br)C5(C)C)c3)CC[C@@]1(C)[C@@H]2Br 256018987 DURBFBTURBNBLM-ZZDDWEONSA-N 566.378 6.743 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 256028372 HWJWQLLRNHNSCI-UHFFFAOYSA-N 639.641 7.485 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)c1 263627253 OGEATMPOFZEABD-UHFFFAOYSA-N 545.477 7.142 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)ccc2C)c2ccccc2[C@H](C)[C@@H]2CCC[C@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 642771944 UQIJHRAONIAHRK-ZOTGYBNRSA-N 654.859 10.317 50 10 KKGE CCCOc1ccc([C@@H](Br)c2scc(Br)c2Br)cc1Br 705468081 ZDGHVBVIQSVMEE-GFCCVEGCSA-N 547.932 7.309 50 10 KKGE Cn1cc(COc2c(Br)cc(Br)cc2CBr)c(Br)n1 714081082 WHGRCNBGYVPQAT-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240335 ZQAGWXUKPIARBB-WMOIDQOMSA-N 503.850 5.593 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1 725422213 QKEOSCSJVAKKGZ-JOCHJYFZSA-N 719.155 6.201 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1083896602 OVRHWCHQASEWIA-OVCLIPMQSA-N 581.637 7.442 50 10 KKGE COc1ccccc1OCC(=O)NN=C(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1083906050 CSQFZIJJCMKZLH-HNMNOHOESA-N 502.014 6.094 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1083984732 SKKRYSASPYAFDY-SANMLTNESA-N 517.582 5.265 50 10 KKGE O=C(NN=C1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccc(Br)cc1 1084142640 QSAKXGJQZHAXQC-UHFFFAOYSA-N 503.183 5.437 50 10 KKGE CCOc1cc(C(=O)NN=Cc2ccc(OC)c(Cn3nc(C)c(Br)c3C)c2)cc(OCC)c1OCC 1084184241 YMFIWGIGZLLJJL-UHFFFAOYSA-N 573.488 5.279 50 10 KKGE O=C(CCCC(=O)Nc1ccc(Br)cc1)NN=Cc1c(OCc2ccccc2)ccc2ccccc12 1084276266 MJHUSVNCPLPMCR-UHFFFAOYSA-N 544.449 6.440 50 10 KKGE COc1c(I)cc(C=NNC(=O)CCCCCCCCCCC(=O)NN=Cc2cc(I)c(OC)c(I)c2)cc1I 1084416307 OJKBPBQNRAMUQG-UHFFFAOYSA-N 998.220 7.624 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1OC 1084447793 KISOCKATYLZGIV-UHFFFAOYSA-N 606.926 5.406 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084566695 NDYLHSLLXGRYET-MHZLTWQESA-N 557.563 5.667 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1 1084620328 FEIUJMZEUBCGAQ-UHFFFAOYSA-N 528.270 6.485 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)N[C@H](C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O 1614653118 KXRXFZLCHRFBCI-FUVRYODWSA-N 509.675 6.422 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653157 OSNWUGDNPOLREW-PPBORXCNSA-N 549.618 6.571 50 10 KKGE Cc1cc(C(C)C)ccc1OCC(=O)N/N=C/c1c(Br)cc(Br)c(O)c1Br 1615949716 HOLHWOSDTYOCCU-LIMNOBDPSA-N 563.084 5.641 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865685788 NGXMUQXZKACNJK-QHCPKHFHSA-N 521.379 6.271 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865688945 FZOMWFPDLQIUBD-LJAQVGFWSA-N 541.051 6.398 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865689628 UWCDTWWMBMMZMS-JOCHJYFZSA-N 563.839 5.947 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689928 GSXIAYDILYKFJR-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692380 BCUJHWMNOBSHOX-GDLZYMKVSA-N 538.623 6.219 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 1865694800 BZPJMKPKHYBEHM-RUZDIDTESA-N 512.997 6.029 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1OC 1865696521 GWFNSLBJZMKBPE-HSZRJFAPSA-N 523.431 5.245 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865696712 JEURYQPQYBMAHL-HXUWFJFHSA-N 563.374 6.059 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865696924 UKSLIPNQIPXYBP-GDLZYMKVSA-N 550.659 6.734 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704137 OIBRGQUBWLPFFX-VWLOTQADSA-N 503.389 6.285 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704410 VEGGUIBIWDJOTK-HHHXNRCGSA-N 561.469 6.606 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704540 YGXDGFUAOWEZGR-HHHXNRCGSA-N 579.915 7.641 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705568 ZGCFXHKWOUYJKQ-HHHXNRCGSA-N 541.567 5.380 50 10 KKGE CCOc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(Cl)cc2)cc1 1867220727 PPZONVTVTSJNFW-VEEOACQBSA-N 570.114 7.330 50 10 KKGE COc1ccc(OC2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4C)n3)CC2)cc1 1868301823 ZOJDSUYDWODIJH-UHFFFAOYSA-N 523.662 6.825 50 10 KKGE CCCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1Br 1872728497 FZJLHSXSFLCZBX-RCCKNPSSSA-N 552.469 7.078 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc4ccccc4c3)n2)cc1Cl 1872755795 GGXJAFOQNKENDD-GFMRDNFCSA-N 511.430 7.931 50 10 KKGE Cc1cc(Br)c(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCl)C(C)C)cc1Br 1915273228 ZTCPNCOUIBWFAB-SFHVURJKSA-N 523.718 5.974 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 1916365428 XDQAQRIJEJHHTK-AWEZNQCLSA-N 546.108 5.357 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3c(s2)CCSC3)c1Br 1924601290 WMSIVZQKMHUSIT-VIFPVBQESA-N 568.013 7.371 50 10 KKGE Cc1ccc(COc2c(I)cc(C=C(C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2I)cc1 2053614427 RKMVSYAOYMWHNZ-UHFFFAOYSA-N 699.670 6.891 50 10 KKGE COc1ccc(-n2c(C)cc(C3=CSC(=C(C#N)c4nc5ccccc5s4)N3c3cccc(OC)c3)c2C)cc1 2053624152 AOISTZFZTOYJNB-UHFFFAOYSA-N 562.720 8.165 50 10 KKGE ClCc1c(Cl)nc(Cl)n1-c1cc(Br)c(I)c(Br)c1 2055058847 YZGFBYRTUIXXOB-UHFFFAOYSA-N 545.227 6.048 50 10 KKGE C[C@H]1O[C@@]2([C@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078504365 CESJZXLYCDKLLX-SJAUJHBISA-N 523.910 6.429 50 10 KKGE C[C@H]([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499925 LIMLREOJYLZNLU-NFNCENRGSA-N 582.672 7.371 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(I)c(Br)c2)c1Br 2201072663 KDOGMSKPCCPJOC-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC[C@H]3C[C@@H]3CC2)c1Br 2206399080 BZZOLBRBDSVUHZ-MWODSPESSA-N 594.805 7.999 50 10 KKGE Cc1ccc([C@@H](Cl)c2cc(Br)c(Br)s2)cc1I 2212992367 MKSZQGDLPDZFNV-LLVKDONJSA-N 506.428 6.514 50 10 KKGE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1n1c(CCCl)nc2cc(Br)c(Br)cc21 2234063589 BYLHKHTZATWGJI-VLIAUNLRSA-N 511.689 6.036 50 10 KKGE COc1ccc([C@H](Cl)c2ccc(Br)cc2Br)c(Br)c1Cl 2283556358 XWZSNFINCKOVOG-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE CCC(=NNC(=O)C(=Cc1ccc(N(CC)CC)cc1)NC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 2293968586 ARJOVTNWIHTYCT-UHFFFAOYSA-N 544.699 6.901 50 10 KKGE CCOC(=O)c1c(-n2c(C)cc(C=C(C#N)C(=O)Nc3ccc(CC)cc3)c2C)sc2c1CCCC2 2294193095 RSISUUOBFYKMEN-UHFFFAOYSA-N 501.652 6.319 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 2295157381 RFBTUKRLSOJBMC-UHFFFAOYSA-N 509.400 6.700 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296507041 QFSDJSHFHMHFRC-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE COc1ccc(C=C2CCC[C@H]3C2=NN(C(=O)C(C#N)=Cc2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC)cc2)cc1 2297021073 BPDKIEKWCSVVBW-IGYGKHONSA-N 548.599 6.342 50 10 KKGE COc1c(Br)cc(C=NNC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1Br 2297100611 SSHKZMIMPSNHQA-UHFFFAOYSA-N 634.756 5.861 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(I)cc1 2313567127 GVMSXHCIUMKAGM-UHFFFAOYSA-N 589.477 5.854 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567584 MCZCDFKWAIKKOQ-UHFFFAOYSA-N 744.198 7.037 50 10 KKGE COc1cccc2cc(-c3nn(-c4ccccc4)cc3C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)oc12 2314450715 NGXVYYVPLBSHFA-UHFFFAOYSA-N 515.978 6.286 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314618216 JNACYYRWHPUHRM-QHCPKHFHSA-N 621.719 5.345 50 10 KKGE CCCCCCCCOc1ccc(C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314618263 KHHNIWAMJPYPFS-QHCPKHFHSA-N 500.639 6.788 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634037 FEOXTCYFNHLEHA-HKBQPEDESA-N 522.645 7.000 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccccc4)c(=O)oc3c2)cc1 2314748695 PLGDDHDEUMWTBW-UHFFFAOYSA-N 522.557 5.414 50 10 KKGE COc1ccc(Cl)cc1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCCO4)cs2)CC1=O 2331331057 RKBCQSUZGZMCRY-OAHLLOKOSA-N 509.971 5.089 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 2331411072 KHADJFNGYTVAQY-RCDICMHDSA-N 507.999 5.976 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)sc1Br 2339649507 WBOBHVPQFFBHNQ-VIFPVBQESA-N 600.765 7.730 50 10 KKGE C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1I 3255455 DMIVEIAPOCRLAA-GXDHUFHOSA-N 509.141 5.164 50 10 KKGE CC(C)c1ccccc1OCC(=O)NNC(=O)c1cc(Br)ccc1OCCc1ccccc1 14665493 WTJZGTCWJRIJKI-UHFFFAOYSA-N 511.416 5.034 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1OC(=O)c1cccc2ccccc12 33625531 VPSFJGBIMYBRJA-UYRXBGFRSA-N 509.474 5.227 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 38657079 XJPDQQKKWGFYJQ-NDEPHWFRSA-N 514.578 5.204 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)c1 38685126 QGGINTCCSXXLBV-VWLOTQADSA-N 509.389 6.610 50 10 KKGE Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)cc1 38686354 JAHPZAQUTFYRNY-LJAQVGFWSA-N 522.988 6.665 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)c1 38701005 PTAFXJLFPDPRSO-NDEPHWFRSA-N 508.574 6.584 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1Cl 40530247 QVOFWZIETUGHOX-RUZDIDTESA-N 523.416 6.918 50 10 KKGE CCc1ccc(OCCCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c(Br)c1 40959435 BBPVWQBBVMZLBL-RDRPBHBLSA-N 509.444 6.208 50 10 KKGE Cc1cc(C)c(/C(CSc2nc3ccccc3o2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 59460507 KNAZTPLZDPIBFA-QYQHSDTDSA-N 519.539 5.496 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCCOc1ccc(NC(C)=O)cc1 96467374 HEXKDIVACIEGNM-PGMHBOJBSA-N 503.530 5.186 50 10 KKGE CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 100181981 APTSIUDRHIZICS-ZDUSSCGKSA-N 577.328 5.284 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100232707 JAFXESXTXSDMNC-VCHYOVAHSA-N 556.800 6.534 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)C1=O 101333642 LBBSLRZXPWGSPU-VUTHCHCSSA-N 536.676 6.808 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 101337427 OQPBXWGHUBRIMM-AUEUWSLNSA-N 549.030 6.555 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101338021 MIDMLRPAHLXZCN-OVVQPSECSA-N 563.455 6.137 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1 101377129 GNVXPAXSFKCHLI-GDLZYMKVSA-N 533.024 6.420 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 101378331 NIDLKCNLUYSAHQ-HKBQPEDESA-N 540.660 6.756 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101396921 HBIKTJKVOFCRMX-VWLOTQADSA-N 613.950 8.868 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 101397009 BWNWOPKQKMBQPE-SSEXGKCCSA-N 536.628 7.364 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O 101727351 JMLFDPSZKXYKQC-NUGSKGIGSA-N 526.865 5.573 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 103123120 UDEYGMCEFGDMFW-JSIHEXFSSA-N 522.945 5.452 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1cc(Br)c(Br)s1 128259717 XJRTWIREZFKFTR-NSHDSACASA-N 503.879 6.828 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 150429577 BUTYDAUFYVNGJD-CPPWPEIXSA-N 718.992 6.997 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1Cl 150460174 GUKNISQWNQBQMW-YTTGMZPUSA-N 679.984 8.851 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccccc1Cl 150464131 UOKGSGUBUCCOCG-VWLOTQADSA-N 658.963 6.826 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 164620590 MMWGYSWEPGTYBV-ODNPBWNPSA-N 633.373 8.865 50 10 KKGE C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 195781360 QKFCLXPIIJGSQB-UHFFFAOYSA-N 815.705 7.902 50 10 KKGE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 205776679 UYRZRJPYRWYZRN-BEMCQEHZSA-N 618.715 5.243 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 214393424 QWLWMVJRENNWRZ-MIXAMLLLSA-N 558.638 6.048 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CNC(=O)c3cccc4ccccc34)cc2OC)cc1 254705746 BIAKDPONRHVGEN-UHFFFAOYSA-N 553.615 5.127 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N=CN(Cc3ccccc3)Cc3ccccc3)Oc3c2ccc2ccccc32)cc1 254738753 KXFORSBNWKDSPQ-UMSFTDKQSA-N 535.647 7.839 50 10 KKGE CCCCc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 256019373 XOYOHRWRQWLITI-UIAACRFSSA-N 536.146 6.654 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@@H]1O 575232547 ZGCNMHQDCCSXMS-YZALLSEZSA-N 663.406 6.422 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C 642880671 KEEBYCOQGORZDK-QGGAYTEESA-N 697.909 6.543 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@H](Br)c2cc(Br)sc2Br)c1 695017382 WBPSSEHGHHOIPH-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Cn1cc(COc2c(Br)cc(CBr)cc2Br)c(Br)n1 714080916 UGRCGUMAHQVSNN-UHFFFAOYSA-N 517.841 5.182 50 10 KKGE O=C(NN=C/C(Br)=C/c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 886000347 WWUAYPOUSMIQKP-XJTGPPOSSA-N 532.441 7.720 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1083942037 ZGXLRXGQCSVCLU-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 1084204574 NZHCUOGFJGWDKE-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 1084430069 YHMRAYIZPLFJDR-UHFFFAOYSA-N 665.603 5.544 50 10 KKGE CCCCCCCCCCO[C@H](C)OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1615217307 OULINSDDQYDNDM-PMERELPUSA-N 505.703 7.891 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686680 YKQHDYIUJHNNAJ-QHCPKHFHSA-N 555.824 6.924 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OCc1c(Cl)cccc1Cl 1865689566 SRDGMUQMHNHXGB-RUZDIDTESA-N 534.403 5.688 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC)cc1OC 1865691787 AYWNRDXRKJQGRH-OAHLLOKOSA-N 515.330 5.090 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865693434 OMAADMDYDMUBKI-HHHXNRCGSA-N 529.015 6.392 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700862 GFSUPSBFPUQBSG-GDLZYMKVSA-N 579.487 7.702 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 1865703530 AMIJJQSBMXMXIR-HHHXNRCGSA-N 565.432 6.492 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707059 MVFHDSYKWQOYAM-QFIPXVFZSA-N 579.838 5.896 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)cc(Cl)c1O 1865707360 VGRBNEYAGZMCJT-JOCHJYFZSA-N 519.388 5.838 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866731666 BKKLCSBXBBSZAJ-URLMMPGGSA-N 543.689 5.989 50 10 KKGE CSCC[C@H](NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccc(SC#N)cc1 1866758744 YMRWEBMMGZONBY-VWLOTQADSA-N 525.646 5.937 50 10 KKGE COc1cccc([C@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(F)cc3)n2)c1 1868456077 JDRKCDCVFZGZFY-YTTGMZPUSA-N 559.670 7.760 50 10 KKGE CCCCOc1c(Br)cc(/C=C(\C#N)c2nc(-c3c(C)cc(C)cc3C)cs2)cc1OC 1872794218 PQMDAJFKBVIKLG-RGVLZGJSSA-N 511.485 7.750 50 10 KKGE Cc1c(Cl)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924592105 WTDCVWGCOACYMI-SECBINFHSA-N 538.324 7.482 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1cc(Br)ccc1Br 1925586397 YRWLGIWFEXBYAN-MRVPVSSYSA-N 558.742 7.827 50 10 KKGE CCC(=O)[C@H](Br)Cc1cc(Br)c(I)c(Br)c1 1938596739 SAVGODFDERBFJF-SSDOTTSWSA-N 524.816 5.101 50 10 KKGE CCc1nc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)s1 2050331009 JQNSCEUZMNOWJA-YFKPBYRVSA-N 514.917 7.036 50 10 KKGE Cc1nn(CCC#N)c2c1[P@@](=Nc1ccc([N+](=O)[O-])cc1)(c1ccccc1)C(=C1N(C)c3ccccc3C1(C)C)C=N2 2053622401 XIBPLWSKASJMOA-HUESYALOSA-N 575.613 6.852 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(I)c2)c1Br 2083336546 BAAKSYAHNAHHLS-CQSZACIVSA-N 544.850 6.609 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@H]2COC[C@H]21 2085494257 KSHJNMCQWVQIKJ-UMAXCYLZSA-N 524.272 5.909 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(Br)c2Cl)c1Br 2138848587 BBYWEVZRRUNWQT-ZDUSSCGKSA-N 532.295 7.420 50 10 KKGE CCc1nc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)c(Br)s1 2201079988 WBOABFJPRLYCCY-GFCCVEGCSA-N 546.948 7.094 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1cc(Br)ccc1I 2206586331 JNDQBGJRGKUHLX-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE Clc1cc(Br)c(OC[C@H]2CC2(Br)Br)c(CBr)c1 2213082495 HPHFBXLSFKWNEP-SSDOTTSWSA-N 512.261 5.882 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232512049 MPJMELKEBCQXEE-LLVKDONJSA-N 526.252 7.795 50 10 KKGE C[C@@H](Cl)c1nc2cc(Br)c(Br)cc2n1CC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2234059514 TXUFCYYXYMLWAL-LJQANCHMSA-N 603.786 7.333 50 10 KKGE C[C@H]1[C@@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CCN1Cc1ccccc1 2234072904 ZJBOAUGUISOZJN-LIRRHRJNSA-N 511.689 6.178 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cscc1OCc1ccccc1 2259998087 ZMMLJVNXXLCZCT-KRWDZBQOSA-N 508.609 7.459 50 10 KKGE CCN(C[C@](C)(CI)OCc1cc(Br)ccc1Cl)C(=O)OC(C)(C)C 2263388613 BFURXAJZCUXBCI-SFHVURJKSA-N 546.671 6.070 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Br)cc1Br 2288353362 JHPNBGJUSSTDIF-GFCCVEGCSA-N 554.248 7.343 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)Nc2ccccc2OC)c1C 2296943250 USKRHTKWKYTENF-UHFFFAOYSA-N 562.648 6.733 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1sc(Br)cc1Br 2301046266 NBOIKLSQGLTKAC-RXMQYKEDSA-N 572.740 6.016 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1cccc2ccccc12 2313545807 HFKDFUKWPSHRKS-UHFFFAOYSA-N 643.525 6.678 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 2313571243 QPCRGBYNURCMJM-UHFFFAOYSA-N 522.215 7.433 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Br)cc1 2313670667 NZHSWUVHLFXROP-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1 2314487727 JTUGDYARFHZHBP-UHFFFAOYSA-N 513.535 5.436 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 2314610357 GKUJKRBEESUNOR-UHFFFAOYSA-N 528.656 6.133 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314618792 UJPLFKFTIPXJEQ-UHFFFAOYSA-N 646.534 7.613 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@@H]1c1ccc(Br)cc1 2314634107 MOFRSSXZNJBYPS-DEOSSOPVSA-N 507.771 5.939 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 2314643186 GKLFJJOGVOONCA-HKBQPEDESA-N 587.434 7.548 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5ccc(F)c(C)c5)cs4)cc3C2=O)c1 2331320345 BEOPZRWXFGKVHP-UHFFFAOYSA-N 509.562 6.625 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4c(C)c(C)cc(C)c4C)cs3)CC2=O)cc1 2331364598 OTKFALNYPYGHKG-OAQYLSRUSA-N 515.635 6.066 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=C(O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2331411108 OGRVKFVQLQCXTP-UHFFFAOYSA-N 504.839 7.460 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1Cl 2331484518 FOOZAWMWVPOYTG-UHFFFAOYSA-N 517.050 7.556 50 10 KKGE ClCc1cnc(OCc2cc(I)ccc2Br)c(Br)c1 2341553438 XEXKKFKWFFWUBJ-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cccc(Br)c2Cl)c1Br 2362225564 QOWVQFZKESAMNE-LBPRGKRZSA-N 526.252 7.748 50 10 KKGE CSc1ccccc1[C@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362254360 LOWXLPWGVBVNTJ-LBPRGKRZSA-N 503.456 7.210 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(I)ccc1Br 2365189511 VUCDBFJPYCVZHT-CYBMUJFWSA-N 597.285 7.354 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@](CI)(OCCCc2cc(Cl)cc(Cl)c2)C1 2366936722 APPWVVSNOSHEBE-FQEVSTJZSA-N 528.258 6.147 50 10 KKGE O=C(Cc1ccccc1)NNc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 9056934 FYULEJWFXJJLOE-UHFFFAOYSA-N 518.661 5.597 50 10 KKGE C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 14665920 CCRJAOLYQSCTNH-MRXNPFEDSA-N 505.453 5.038 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1Cl 38651219 NPPOYNNZXBSCHP-JOCHJYFZSA-N 515.780 6.483 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(Cl)cc1Cl 38655217 OSWUXCYOSOTMQR-QHCPKHFHSA-N 512.305 5.104 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC)c(OCC)c2)cc1 38683903 DHVLVLUYZZZJAM-GDLZYMKVSA-N 526.589 5.876 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCC(C)C 38700966 UNZSXZRJLAOHCO-NDEPHWFRSA-N 524.573 6.222 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCCCC)c2)cc1 40530016 JSGUIEKHHMGEES-GDLZYMKVSA-N 510.590 6.258 50 10 KKGE COc1cc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccccc2Cl)C(=O)CCl)ccc1OC(C)C 97914788 OONXBRDWMYGEIX-QEYPREHFSA-N 535.512 6.139 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc(F)cc3)cc2Br)cc1 100233695 OQDVMWXLRWIPDZ-DVMDLWDRSA-N 573.459 5.929 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)C(=O)NC3CCCCC3)c2)C1 101014124 AXZCVCWVIQATOB-LRTVDTKTSA-N 571.747 5.562 50 10 KKGE CC(=O)Oc1ccc([N+](=O)[O-])cc1C1=NN(C(C)=O)[C@H](c2cc(Br)ccc2OCc2ccccc2)O1 101060439 VMBVSOGQHBHLNV-VWLOTQADSA-N 554.353 5.101 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244964 IMWANMZVDPEJKX-RAMZYJDASA-N 536.484 6.929 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245971 UAYRJKZFSAWVDI-UZEPBSNMSA-N 546.490 6.385 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101338897 OLVWRMHTXCCTIN-RDRPBHBLSA-N 548.687 6.808 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101361826 GNOBZMWLFSQSRM-AREMUKBSSA-N 535.394 5.440 50 10 KKGE CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101373089 DDPUCQLZHMYUFO-AREMUKBSSA-N 553.442 7.008 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OCC 101373748 LNWNPFQLODDERE-HKBQPEDESA-N 542.632 6.200 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCCCC)c(OCC)c2)cc1 101374613 BTGYKJLDBZHIDR-MGBGTMOVSA-N 584.713 7.661 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)c1 101376908 SHXFLESLGZHNMZ-YTTGMZPUSA-N 530.624 6.821 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 101380200 FJDJXPQUDZEDNB-PMERELPUSA-N 601.428 6.370 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382651 MUFKTNGBZLRDQS-MUUNZHRXSA-N 526.951 6.495 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384991 PNKSWMSIEVXGGW-WEZXKFLESA-N 615.513 7.726 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385482 QDSPUKDSJQSODU-XIFFEERXSA-N 576.649 6.809 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101385812 LGDQLLLZZRCMQW-PGUFJCEWSA-N 603.074 7.447 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386000 QXHIDAADXHNMGL-SSEXGKCCSA-N 553.014 6.673 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101397871 YAZGBAHEQPKRIJ-IHLOFXLRSA-N 550.542 5.368 50 10 KKGE O=C(NNc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1cccc2ccccc12 101472830 LTURSGQBZDXGAN-UHFFFAOYSA-N 559.630 5.207 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)c(Br)c1 101607272 VLIWQEKZIMDQEJ-VFCFBJKWSA-N 539.386 5.219 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5)c(C)c43)coc2c1 101620361 JVWSNZLQHRLSRR-NJZRLIGZSA-N 547.011 5.079 50 10 KKGE C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 102342011 KZPRAYNXLNQZAY-KVAAJVFYSA-N 559.478 7.676 50 10 KKGE C=CCn1c(SCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)nc2scc(-c3ccc(C)cc3)c2c1=O 103706748 GQHQLWGKPQWADF-KVSWJAHQSA-N 599.532 5.339 50 10 KKGE O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 103877666 FOTAHEGTRNDTJV-KKMKTNMSSA-N 518.194 6.845 50 10 KKGE Nn1c(CCc2ccccc2)nnc1SCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 104769442 ZZTPNLMVPBNWCC-ZCTHSVRISA-N 549.100 5.032 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1Cl 150462843 BOCNRCZXVMVKAL-WJOKGBTCSA-N 649.502 7.946 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Br)cc3)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2Cl)c1 150471628 DTQNBBIWFGALOM-PMERELPUSA-N 652.328 7.537 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 163407989 RYMBNWIZKWDNSE-VTNSRFBWSA-N 632.531 6.230 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(F)cc1 164633423 VVQZMAOUGWRRBG-KVSWJAHQSA-N 623.216 6.291 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C2=O)cc1 214399287 VAGCYRBSMNLCIK-NVMPUMLXSA-N 600.719 6.808 50 10 KKGE CN1/C(=C2/C(=O)CN(CCc3ccccc3)/C2=N/CC(=O)/C(C#N)=C2/Sc3ccccc3N2C)Sc2ccccc21 229783415 YWZIHKGMCDFDQE-CTIXCXQHSA-N 577.735 5.512 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)ccc21 256019349 VUMGVUVKHIGIIT-VEXUSMLFSA-N 597.189 7.439 50 10 KKGE Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)ccc12 256119669 VLGQRMASAAPPOT-QBKZLDBTSA-N 889.042 8.459 50 10 KKGE BrCC(CBr)(Cc1coc(Br)c1)c1ccccc1Br 378977666 PFOBURXZRWRQAT-UHFFFAOYSA-N 515.865 6.075 50 10 KKGE Br[C@H]1CC[C@@H](Br)[C@H](Br)CC[C@H](Br)[C@@H](Br)[C@H]1Br 585669577 KRBVZSQJTHCENM-MHCVYJKHSA-N 613.646 6.141 50 10 KKGE Clc1cc([C@@H](Cl)c2ccc(I)c(Br)c2)sc1Br 721589753 UTVOLDUELSXEDZ-JTQLQIEISA-N 526.846 6.859 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 725404296 MKYDKWWGRRQIPJ-UHFFFAOYSA-N 586.928 7.115 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1083936152 XPTALYYVOGLNAI-UHFFFAOYSA-N 592.117 5.972 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1083937463 WQOXOTGWRXZGNH-UHFFFAOYSA-N 618.400 6.975 50 10 KKGE Cc1cccc(C(=O)Nc2nnc(CC(=O)NN=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)s2)c1 1083997444 CEWLALMBLJGFFT-UHFFFAOYSA-N 554.459 5.677 50 10 KKGE COc1ccc2cc(C=NNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccc(C)cc3)c(Cl)nc2c1 1084193154 IRPOUMJOSYFZJJ-UHFFFAOYSA-N 557.459 5.204 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084211477 OEIGFUKXLQRJPK-UHFFFAOYSA-N 595.121 5.419 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084225150 XGYCNLAKMRPDQT-UYRXBGFRSA-N 655.405 5.164 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 1084254108 MWDIAZXKYHPJIT-RGVLZGJSSA-N 542.249 8.578 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC(=O)OCC 1084396405 BKZILPFAXYYCDP-UHFFFAOYSA-N 529.387 5.028 50 10 KKGE C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 1084510217 BBJPJWLKOGMBCA-JOCHJYFZSA-N 559.460 6.525 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1084522570 ZBBFZSKRROVTAC-UHFFFAOYSA-N 687.388 8.049 50 10 KKGE CN(C(=O)c1ccccc1Cl)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1613985330 YXOUXZVYAPTBAS-PMWNKBIASA-N 534.897 5.600 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773650 YYGPOUVOBLNWHS-OZOJZTQKSA-N 629.175 12.649 50 10 KKGE CCCCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccccc2Br)CCC3)cc1 1772743676 GAKMCDQBQAIHLU-UHFFFAOYSA-N 538.442 6.252 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc(Br)c1OCc1ccccc1 1772756058 YCPRCGHLLQGOBR-UHFFFAOYSA-N 632.393 7.406 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1848436554 DIMYHZDULFSWLS-FTOCSZITSA-N 641.142 11.150 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686436 WBCBVXCFQKIYMR-DEOSSOPVSA-N 517.416 6.440 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692404 FKPXXCMFZXNMHW-PMERELPUSA-N 575.068 7.307 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(OC)c1OC 1865693657 XSANGQYWEWQHFR-OAQYLSRUSA-N 522.483 5.288 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865694062 OZLYKQQJBFAOKU-HKBQPEDESA-N 570.649 6.744 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OC 1865694929 FVJYPUJVSJYEBU-SANMLTNESA-N 526.568 5.372 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Br)cc2)cc1OC 1865696710 JEURYQPQYBMAHL-FQEVSTJZSA-N 563.374 6.059 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865702471 VVDXMOCOALOJJZ-QFIPXVFZSA-N 535.348 5.807 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865703678 YWRYHQIXAMEKSM-HKBQPEDESA-N 554.650 6.713 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccn2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705548 YVWSALGNVSJECV-DEOSSOPVSA-N 548.386 5.329 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1865709953 KZKPDVXVQOULKA-MRXNPFEDSA-N 510.259 5.383 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C(=O)OC(C)C)c1C 1866128644 DDVXGKNAUJDTMN-XNTDXEJSSA-N 505.390 5.107 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)sc(C)c1-c1ccc(Cl)cc1 1866129471 VOUKACMEYBCGEA-SFQUDFHCSA-N 529.843 6.862 50 10 KKGE CCC[C@@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)Nc1ccc(SC#N)cc1 1867197666 KVUKTLGZYRLIJP-FCHUYYIVSA-N 502.478 6.076 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H]2c2ccc(C(F)(F)F)cc2)n1 1868301570 TXIVXTDFRUPFFL-VWLOTQADSA-N 531.607 8.129 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN(c4ccc5oc(O)nc5c4)CC3)nc(-c3ccccc3Cl)n2)cc1 1868414920 QIHRREYPLOGMFL-UHFFFAOYSA-N 556.051 6.287 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1OCc1cccc(Cl)c1 1873498584 WLDJWSJWENGDFW-KBVAKVRCSA-N 502.014 6.442 50 10 KKGE CCc1nn(C)c([C@@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1877188100 LUJYQWLDTWKAJS-QMMMGPOBSA-N 556.343 6.422 50 10 KKGE O=S(=O)(c1ccc(Br)cc1Cl)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915172642 PAMRYQHFTSTMSV-QGZVFWFLSA-N 507.675 5.467 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1scc(Br)c1Br 1924053976 VXWGMRZEXIADAQ-QUBYGPBYSA-N 518.894 6.670 50 10 KKGE Cl[C@@H](Cc1ccncc1Br)c1ccc(I)c(Br)c1 1924066921 NGAROSSPEPKGLJ-LBPRGKRZSA-N 501.387 5.734 50 10 KKGE Clc1ccc(Br)cc1[C@H](Cl)c1c(Br)sc(Br)c1Br 1924595702 CUEFXBONINSXSK-VIFPVBQESA-N 558.742 7.780 50 10 KKGE FC(F)(F)c1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1 1924602019 QSPBECZXFDIIAR-VIFPVBQESA-N 513.398 7.383 50 10 KKGE Clc1sc([C@H](Br)c2csc(Br)c2Br)cc1Br 1937735280 YOUDJNURLCYBGL-ZCFIWIBFSA-N 530.326 7.235 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)sc2Br)c(Br)s1 1939962659 PXDMESJQYSVCJA-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE CCN[C@@H](c1c(Br)sc(Br)c1Br)C1CC(Br)C1 2020153370 GTLRMHZAOCDHQV-GVNUUABZSA-N 510.915 5.860 50 10 KKGE Clc1cc(I)c(Oc2cc(CBr)ccn2)c(I)c1 2037348010 OFBDEAWANOFOGQ-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(Br)cc2I)cc1F 2142290008 XAGODHOAAUAPEY-ZDUSSCGKSA-N 522.352 6.470 50 10 KKGE COc1cc(F)c([C@H](Cl)c2cc(Br)ccc2I)cc1Br 2202901959 KBEBSNBWLMHCIG-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(I)c2)c(C)c1Br 2227348449 NRVXVSGXCQYRMX-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE Clc1ccc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)cc1Br 2232509770 KLVVUICGFKZIBF-LLVKDONJSA-N 542.707 8.310 50 10 KKGE Clc1c(Br)csc1[C@@H](Br)c1cc(Br)c(Br)s1 2242672093 BIFGXHMNRQZEPT-LURJTMIESA-N 530.326 7.235 50 10 KKGE Fc1cc(C[C@H](Br)c2ccc(I)c(Br)c2)ccc1Cl 2277799604 ZPAITEWARZLSEE-JTQLQIEISA-N 518.389 6.525 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(Br)cc2)cc1 2293198399 GVPLNWKMTNRREO-XMMPIXPASA-N 532.463 6.131 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314591865 GKIGCPGZTQZALV-JOCHJYFZSA-N 524.429 6.067 50 10 KKGE CC(C)(C)c1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2314640671 JWFDVEOSLQGMRO-UUWRZZSWSA-N 625.552 8.707 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5)ccc43)cc2)cc1 2314640705 PBJHQJXJFNPHQX-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 2314643241 KPQZPHCUXRSFMR-WJOKGBTCSA-N 552.989 6.895 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Oc2ccc3cc(C(=O)N[C@@H](C)c4ccccc4)c(=O)oc3c2)cc1OC 2314750874 AMUJPOFFFHCAKP-QHCPKHFHSA-N 594.664 6.764 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2314753191 JJEWNFKCTPIAEK-GOSISDBHSA-N 508.958 5.236 50 10 KKGE CCCCc1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)CC2=O)cc1 2331311755 VAGUBHDLBUVZRL-GOSISDBHSA-N 512.462 7.305 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)ccc1F 2331322493 DPPQLGRJEWRGGE-UHFFFAOYSA-N 520.542 5.815 50 10 KKGE COCCCN1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccc(OC)c(Cl)c4)cs3)cc2C1=O 2331398197 RGYWDOWESZAZIW-UHFFFAOYSA-N 509.971 5.054 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)CC1=O 2331404422 BXBOOGNLEWJVTE-KRWDZBQOSA-N 512.462 7.087 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=Cc3cc(Br)cc(OC)c3O)n2)cc1Cl 2331472284 GBTYFMVZPJHXLL-UHFFFAOYSA-N 507.793 6.022 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@@H]2CC[C@H]1C2 2334323375 HKTLWZPXWQMHHR-RFSKQPJPSA-N 536.327 7.453 50 10 KKGE CC1(C)CCC[C@]12[C@@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364106833 NBUOFMGUSLHTBV-SQWLQELKSA-N 514.039 6.165 50 10 KKGE CCC1CCC(CI)(OCc2ccc(I)c(Br)c2)CC1 2377609856 BEDYTUUJRWZCJA-UHFFFAOYSA-N 563.055 6.344 50 10 KKGE COc1cc(/C=N/NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)ccc1OCc1c(Cl)cccc1Cl 1784529 UNCDYSKDSHYWEJ-IIHBXENTSA-N 593.492 6.170 50 10 KKGE Cc1cccc(Cl)c1COc1ccc(/C=N/NC(=O)CCCSc2nc3ccccc3s2)o1 20291576 UJDOVCNFSIXXPO-VULFUBBASA-N 500.045 6.453 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 35516824 RXDFEFNSLCKFGG-XDJHFCHBSA-N 512.547 5.836 50 10 KKGE Cc1ccc(C)c(-c2cc(C(=O)NNC=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3ccccc3n2)c1 38185211 BNOMYFIJCIPEST-UHFFFAOYSA-N 507.678 7.165 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701015 HLWYNUGGCZYRQN-NDEPHWFRSA-N 508.574 6.530 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 40529967 IPNZMDQILREOQY-LJAQVGFWSA-N 510.634 6.846 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 40811789 QCCCYLABRMZXMX-JBASAIQMSA-N 516.395 6.226 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 58889233 WUEQDMNIGHLMTB-MGCJZSHXSA-N 519.798 5.785 50 10 KKGE CC(C)=CCC/C(C)=C/C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O 85593672 GVDGCOQYLNQNKJ-UTEVLVGISA-N 521.441 5.126 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100163476 CDINDVNFZZIGQW-UHFFFAOYSA-N 556.295 5.528 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2[C@H](C)CC)cc1Br 100173184 GABQCFLYDVLHHS-GOSISDBHSA-N 564.546 5.636 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 100236167 RNECQKBNBJACFT-WGNDPNKDSA-N 555.425 5.089 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 101115444 YQLMLTSBWOHNHF-CYVLTUHYSA-N 528.952 5.171 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241246 GQYDXNOADOIUMX-KVILUOORSA-N 552.483 6.135 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245215 YOTOKUMOWJQZNW-OMBWOSJFSA-N 552.483 6.766 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C1=O 101335918 PMHONIJWHOMVOD-MTDXEUNCSA-N 538.648 5.593 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101339392 QKZSHZGNSKNFSZ-JVWAILMASA-N 563.455 6.403 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 101339710 YPVZUOUTPGTOMQ-DHRITJCHSA-N 546.558 5.508 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OC 101375605 VKHSIDQBHPIKET-JGCGQSQUSA-N 570.686 7.271 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380296 OLSINBYXLUHHKV-PMERELPUSA-N 536.559 6.241 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381187 JVACQPFEDGLZCX-MUUNZHRXSA-N 588.403 6.918 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382986 GJYSRPUTCZBBPA-WJOKGBTCSA-N 587.459 7.083 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383046 JAQUTVPMKPTMDF-KATKFWMUSA-N 595.095 7.633 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)ccc1OCc1ccc(C)cc1 101387645 PRSQOCNJPRBZJB-JGCGQSQUSA-N 562.622 6.419 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccc(F)cc1 101389639 QFMNHIOTUIZXHL-XIFFEERXSA-N 615.057 6.968 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389682 HFJWFVAAXZWJJY-JEHQLEFQSA-N 622.693 7.518 50 10 KKGE Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)cc3Cl)sc2c1 101391935 DEICJCODPNGSMY-QFIPXVFZSA-N 541.843 7.607 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccccc4)c3)oc2c1C 101398150 REGHZDCTCQOJOR-WJOKGBTCSA-N 556.618 7.374 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccc(F)cc12 101398413 NJONQLSYRACZGO-SSEXGKCCSA-N 580.999 7.550 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)CC1 101399239 FYGDDRUIUMDBOW-SJXKLIHDSA-N 601.143 8.048 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 103806287 PXLZJIALBAQHHJ-MUFRIFMGSA-N 598.622 6.280 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)c(OCc2ccc3ccccc3c2)c(I)c1 150382781 PRZXTULWOWFSRW-CNIQOEEMSA-N 643.319 6.750 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc1Cl 150478096 RWQGZDJFJICYIC-HKBQPEDESA-N 633.503 8.328 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2)sc2c1CCCC2 150485692 NGXGRUUJAFCOIH-JDBNZTBJSA-N 669.800 6.870 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NCc4ccco4)c(=O)oc3c2)cc1 206427060 WNECLZZIKWARFJ-STZFKDTASA-N 512.518 5.007 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@H](C)O2 214409809 XGDWMTVMTMBLOI-YGDLGDLOSA-N 558.613 6.103 50 10 KKGE Cc1ccc2nc(-c3ccc(N/C=C(/C#N)C(=O)NC4CCCCCCCCCCC4)cc3)sc2c1 217260072 HURFEOQFEGVTAB-FLFQWRMESA-N 500.712 7.881 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cccc(Br)c2Cl)cc1Br 228454211 AAHGOBXHGMBCGZ-CYBMUJFWSA-N 532.295 7.420 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccncc2)cc(I)c1OCCOc1ccc(Br)cc1 252637205 XQDKUKGHMOWUFY-UHFFFAOYSA-N 610.246 5.069 50 10 KKGE O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 254348880 IALALLWDAKABMA-UHFFFAOYSA-N 596.073 5.696 50 10 KKGE CCOc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254764765 WFMUIUMDHOQSFE-UHFFFAOYSA-N 556.531 5.080 50 10 KKGE CCCCCCCCCCCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 254790174 GQYSKVJSOAIQLV-UHFFFAOYSA-N 550.747 8.489 50 10 KKGE COC(=O)C[C@H](O)C[C@@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1 256008388 WCJUVVBQCXVFLK-NJZPMAKVSA-N 573.822 7.345 50 10 KKGE COc1nc(Oc2c(I)cc(Cl)cc2I)c(CCl)s1 388868080 BUQZXGRFHJHYKG-UHFFFAOYSA-N 541.963 5.545 50 10 KKGE CC[Si](CC)(CC)O[C@H](CCCCC(=O)OCc1ccccc1)[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 504264654 XRPFCOIIXPPJCL-USBBMYKGSA-N 745.166 10.578 50 10 KKGE in-vitro C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 575327244 AFEHGYWCWWNYJP-YGWQUNFASA-N 697.162 10.901 50 10 KKGE Cc1cc(C)c([C@H](Br)c2scc(Br)c2Br)c(C)c1Br 705448561 RZGGTXLQGQOULP-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE CC(=NNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc(I)c1 725398901 ZJOARXIRIWITCV-UHFFFAOYSA-N 551.472 5.900 50 10 KKGE O=C(CSCc1ccc(Br)cc1)NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 1083916000 ZEHAEPYRQZVCIX-UHFFFAOYSA-N 563.480 6.095 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccccc3)c2C)cc1 1083946740 BTTADECZWTYDFR-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084259846 VFFAHFQRZJULOO-RUZDIDTESA-N 589.914 6.443 50 10 KKGE N#Cc1ccccc1COc1c(Cl)cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc1Br 1084304041 YLBDLADUMDAOCI-UHFFFAOYSA-N 587.655 6.826 50 10 KKGE CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 1084327787 BOYUMPXIAMZUMF-UHFFFAOYSA-N 579.700 7.048 50 10 KKGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1ccc(Cl)cc1Cl 1084605103 YQIOTPRWVOUDED-UHFFFAOYSA-N 561.228 6.011 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084643327 CCGXCPKKUQGKEK-UHFFFAOYSA-N 628.150 6.817 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3s2)c1OCc1c(F)cccc1Cl 1772760609 YDXNULZJRZRTNP-UHFFFAOYSA-N 516.019 5.919 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685658 LLQGYEVHXZGEHK-QFIPXVFZSA-N 537.834 6.785 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 1865685781 MSVGSNLEFWHHQT-VWLOTQADSA-N 531.443 7.196 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)cc1OCC 1865688802 BDTVXVOQPZDDPA-IBGZPJMESA-N 504.896 5.560 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865689621 UOHFSWYSBHLDFN-OAQYLSRUSA-N 549.812 5.888 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OCC 1865691056 IEQHQBSFZUYTSD-HHHXNRCGSA-N 518.633 6.209 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OC 1865691841 CGTYECIFENYQMS-XMMPIXPASA-N 569.475 6.191 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695153 LKBAIMIHBGUQSD-SSEXGKCCSA-N 534.660 6.225 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697069 WDBSYYGMINAXFD-QHCPKHFHSA-N 563.839 5.947 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699290 PPWONDWETCYDFE-RUZDIDTESA-N 507.981 5.911 50 10 KKGE CCc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)CCO2)cc1 1868207589 ONSSUCDZXFLHAV-MHZLTWQESA-N 507.663 6.524 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@@H]3c3cccc(Cl)c3)nc(Cc3ccccc3)n2)cc1 1868208298 ZBYBZJPGQOCDGG-XIFFEERXSA-N 560.126 8.190 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CCc4c(F)cccc4[C@@H]3C2)n1 1868341985 GSJFCHYAAPCJPZ-QFIPXVFZSA-N 502.619 5.176 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccccc3)n2)cc1 1868364676 DBFBOKRHBAAPEZ-VWLOTQADSA-N 522.609 5.545 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5cc(C)ccc5C)cs4)cc3C2=O)c(C)c1 1872750025 SYZMTGWFYZCKAF-PNHLSOANSA-N 505.599 6.794 50 10 KKGE CN(C[C@H](Br)COCc1ccccc1)C(=O)c1cc(I)ccc1Br 1916383405 IPFUSFYNQJIURA-AWEZNQCLSA-N 567.059 5.106 50 10 KKGE CCn1cc([C@@H](Br)c2sc(Br)c(C)c2Br)nc1Br 1922907605 WBVCLXUHIFYIHU-MRVPVSSYSA-N 521.898 6.045 50 10 KKGE CC1(C)C[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924613637 SPVILJNYCVRIBH-POYBYMJQSA-N 539.953 7.065 50 10 KKGE O=S1(=O)CC[C@H]([C@@H](Br)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1 2016683019 XPPUPZMOLABUDY-DHLKQENFSA-N 501.442 5.715 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(I)ccc2F)c1Br 2050467669 ODYWMKSMJUWNPR-SNVBAGLBSA-N 568.869 6.810 50 10 KKGE CCn1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Br)n1 2060853992 PSEFTFYDTSZSBV-NSHDSACASA-N 501.842 5.675 50 10 KKGE COCc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1 2134740770 HOFFGIKTWMISPN-JTQLQIEISA-N 533.905 6.666 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2)c(F)c1Cl 2136959278 RAFAJJRUHFWAOR-GOSISDBHSA-N 502.580 7.444 50 10 KKGE CC[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCO1 2141470152 YTHZZPWDTNERLQ-QWHCGFSZSA-N 540.315 6.976 50 10 KKGE FC(F)([C@@H]1CCOC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395158 MKOUVOJVJAFFBH-BLTYZCFWSA-N 562.268 6.688 50 10 KKGE FC1(F)CCC[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206397999 PKDXKEMTRGVZRL-NKWVEPMBSA-N 604.747 7.998 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2[C@H]3CCCCC[C@H]32)c1Br 2206398520 WAADQOJGIXAFIJ-KMZKAAFHSA-N 594.805 7.999 50 10 KKGE Clc1ccc(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206405184 HFCJLHBGRMCLGR-NSHDSACASA-N 566.740 7.913 50 10 KKGE COc1cc(F)c([C@@H](Br)c2ccc(I)c(C)c2)cc1Br 2207110159 FAGZJXYCTDZWPX-HNNXBMFYSA-N 513.970 5.994 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1sccc1I 2213492494 PRMAYZUSDRFDRZ-SNVBAGLBSA-N 554.842 6.501 50 10 KKGE Brc1sc(C[C@@H](Br)C[C@H]2CCCO2)c(Br)c1Br 2216390940 DLVQQVPCSYCOJB-NKWVEPMBSA-N 511.899 5.911 50 10 KKGE Cc1ccc(Br)cc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232509360 CNQXIALVVQXLTQ-GFCCVEGCSA-N 522.289 7.965 50 10 KKGE ClCCc1nc2cc(Br)c(Br)cc2n1[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2234062941 ALUZBTDLUYCEEH-PBFBIOBFSA-N 509.673 5.646 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(Br)cc3c2OCC3)cc1I 2283587175 QNXLUGSPBGTKPL-CQSZACIVSA-N 528.409 6.126 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1ccccc1I 2285087100 GZJCYJPYPLCJEE-MRXNPFEDSA-N 510.007 6.163 50 10 KKGE COc1cc(C=CC(=O)Cl)cc(I)c1OCc1ccc(Br)cc1 2293941089 YSLPADLKJSFORT-UHFFFAOYSA-N 507.549 5.420 50 10 KKGE Fc1cc(Br)cc(F)c1[C@@H](Br)Cc1cc(Br)cc(Br)c1 2295335822 OECMCSMPQKSXEH-NSHDSACASA-N 533.830 6.931 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1cccc(Br)c1Br 2295372276 GQMOKAQOFXJEMY-CYBMUJFWSA-N 503.843 6.964 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2296506953 MSAVHHMZKKJNAI-XMMPIXPASA-N 566.466 6.235 50 10 KKGE N#CC(=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc3ccccc3c2)cs1 2296560885 XJXXWFHTAYWLPL-UHFFFAOYSA-N 515.645 6.197 50 10 KKGE Cc1ccc(C2=CSC(=C(C#N)C(=O)N3CCN(C(=O)CC(C)C)CC3)N2c2ccc(F)cc2)cc1 2297486347 OZKOLWGSLROGMS-UHFFFAOYSA-N 504.631 5.138 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccc(Cl)cc1 2297491202 XTKNIZWHUORTHV-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(Br)c1OCc1ccccc1 2297551527 PHPBUHVOMILRSM-UHFFFAOYSA-N 540.345 6.020 50 10 KKGE Clc1cc(I)c([C@H](Br)c2c(Br)cccc2Br)s1 2300957400 NSFROSVYESOSGF-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc(Br)cc1 2313518078 FKRLLDRTUIKLLS-UHFFFAOYSA-N 617.281 6.804 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(F)cc1 2313540763 SIKXPJKACWQIQT-UHFFFAOYSA-N 501.355 6.866 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591666 AUYYIJDNKKKAFS-RUZDIDTESA-N 535.591 6.641 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314621010 YQPYHBNZAPCKSE-UHFFFAOYSA-N 508.574 5.118 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 2314643325 QHBWBUBSRVJDEL-XIFFEERXSA-N 629.496 7.427 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)ccc1OCc1ccc(C)cc1 2314643415 XKESRPMXJOVSMY-UUWRZZSWSA-N 627.524 8.117 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 2314646987 XVGWTYSVFXKGIV-HKBQPEDESA-N 714.775 6.183 50 10 KKGE Clc1ccc([C@@H](Br)Cc2ccc(Br)cc2)c(I)c1 2317769995 BGFNFEKSUSNNDB-ZDUSSCGKSA-N 500.399 6.386 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NC(c1ccccc1)c1ccccc1 2324825587 JKIXTRDEHZXVHL-UHFFFAOYSA-N 512.657 5.707 50 10 KKGE Cc1c(Cl)cc([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336077292 GXTNUWIUZYTTOW-OAQYLSRUSA-N 559.523 8.237 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)c(I)c1 2340067331 APVKFEFBWYKRQO-CYBMUJFWSA-N 532.466 7.130 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1cc(I)sn1 2352800909 AOJLVCYWJVQRNM-CQSZACIVSA-N 515.052 6.426 50 10 KKGE Fc1ccc(Br)cc1[C@@H](Br)c1c(Cl)cc(Br)c(F)c1Br 2362220107 FEBDTKOFJOVPNF-LLVKDONJSA-N 554.248 7.390 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)cc2I)c(F)c1Cl 2365595680 MMTZBNCWXNLKFC-LLVKDONJSA-N 556.797 7.123 50 10 KKGE COc1c(Br)cc(C=NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Br 8448782 IYRFTBFWIPQFBG-IAGOWNOFSA-N 508.254 5.772 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 8454015 ZCLNSPJXYLSBOO-UHFFFAOYSA-N 542.419 5.970 50 10 KKGE CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1Br 14041267 ZDDHNSPVAINBLR-GFCCVEGCSA-N 504.208 5.163 50 10 KKGE COc1ccc2[nH]c3c(c2c1)CCN(C(=O)CCCCCCl)[C@H]3c1ccc(OCc2ccccc2)cc1 25151279 PWEKWODAEKMLBC-HKBQPEDESA-N 517.069 7.029 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 32520767 IDRJFRLMYWDIKS-WKULSOCRSA-N 501.608 6.410 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)cc1C 38651743 UJVDBTQXDLCWCJ-VWLOTQADSA-N 505.368 5.269 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)cc1OC 38681103 YFGCFPUSYBDWTE-WJOKGBTCSA-N 518.569 5.779 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)c1 38684809 SABMAWGVIGILMV-LJAQVGFWSA-N 514.578 5.467 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccn3)CCC4)ccc21 40814256 KWOVFZBGOXYSML-STKMKYKTSA-N 505.578 5.834 50 10 KKGE Cc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)c(C)c2C)o1 58832781 XVVDUQKZWDGVSV-LFIBNONCSA-N 514.217 6.943 50 10 KKGE C=CCc1cccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1O 58988414 CXEUJOYMZIDETC-DFKUXCBWSA-N 525.678 5.509 50 10 KKGE c1ccc(CN2C[C@H](P(c3ccccc3)c3ccccc3)[C@H](P(c3ccccc3)c3ccccc3)C2)cc1 59354870 GYKMEKRMASHMIH-HJWAMQHWSA-N 529.604 6.505 50 10 KKGE CCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100153739 SWIFAWLSIYNQSG-UHFFFAOYSA-N 592.328 6.554 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c(C(C)(C)C)c1 100200939 ARFODFPAJQPLDF-UHFFFAOYSA-N 570.322 5.412 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2ccccc2c1 100235950 JIULFSJTZAEUBM-HFSMTFFDSA-N 601.541 7.272 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 100238638 PQTFWHRJOKWFMQ-GDKBXFSLSA-N 551.083 6.409 50 10 KKGE CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@@](=O)(O)OCC[N+](C)(C)C 100310158 QWOGUZHVBMCFPK-DEOSSOPVSA-O 501.109 6.932 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101293606 RSZIKFBBUYLHGS-WJOKGBTCSA-N 565.025 6.921 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)cc1OCC 101373788 CFMANVNAXNWWDZ-MUUNZHRXSA-N 534.996 5.730 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 101378157 JJFWESCSWGVERY-MUUNZHRXSA-N 562.022 7.035 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)c1 101379965 PWFPSGCMFMHKLM-WJOKGBTCSA-N 567.041 7.145 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383252 WEXOWINWGKBSSU-QRNTTWRNSA-N 565.025 6.765 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)oc2ccc(Br)cc12 101391138 YPPSKNGSOQMVDC-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1 101392896 RWWZMRQDAOQZMM-WJOKGBTCSA-N 572.573 5.818 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101393066 QQJBWYQWSRLIBW-MUUNZHRXSA-N 559.018 7.020 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OC 101394773 TWDXFNNVAUSYLB-LOYHVIPDSA-N 556.615 5.618 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609831 OTKXZDPZWNDODE-KJFHWCLQSA-N 564.661 5.678 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3cc(C(=O)NC[C@@H]4CCCO4)c(=O)oc3c2)cc1OC 101702215 DQLUPZMQKMLMEP-XXMKCSCWSA-N 574.630 5.182 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 103777496 MZZONYIANXXTKR-JXAWBTAJSA-N 513.531 6.306 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 150411112 WUBRIWHHOBXJNH-YGUAJQJCSA-N 714.775 6.183 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(OC)c3)cc2OC)cc1OC 150442042 ZKTCOECGRLEAEK-FYAXVHQVSA-N 812.873 6.508 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(Br)cc3c2OCC3)c1 161123071 DXXXBGNEBMJIMO-CQSZACIVSA-N 525.860 6.393 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccccc4)ccc32)ccc1OCc1ccccc1F 205668804 PPUKJMHULLMMIN-IFCBZFTLSA-N 548.570 6.250 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)cc1F 214385719 DSHOHPPQRWEQJE-YSMPRRRNSA-N 590.611 5.988 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1C 214406999 BBVWONASUUCSLN-YUMHPJSZSA-N 532.575 5.788 50 10 KKGE Cl[P@@]1(Br)=NP(Br)(Br)=N[P@@](Cl)(Br)=N1 263632978 NIKBNUOAHYXLKX-RYUDHWBXSA-N 525.465 7.896 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306146054 ACJHNDYFTFXEOF-JJXJVRRQSA-N 984.181 5.736 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cccc(OCc3ccccc3)c2)c1 383781056 PBMSXGHSGZKJOD-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE C[C@H](CCc1ccc(O)cc1)N(Cc1ccc(O)cc1)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)cc1 504374483 RCRHYSIURXFCOG-WVXBCFDCSA-N 521.774 7.390 50 10 KKGE in-vitro CC[Si](CC)(CC)O[C@H](C(=O)O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@@]13OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 575417465 SNFQGZFZXWNAEJ-YTFNSAKDSA-N 922.154 6.289 50 10 KKGE in-vitro C[C@H](CBr)[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 696715389 WTGZYPKIHJXDIA-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 724907926 DGWQWKRYBMEAHX-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Cc1c(C)c2c(c(C)c1OC(=O)Oc1ccc([N+](=O)[O-])cc1)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 888087436 CLQIBMXXWRIYFN-QOCGDCEFSA-N 595.821 10.621 50 10 KKGE O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccccc1OCc1ccc(Br)cc1 1083927696 GYWBPYCZEKYTFN-UHFFFAOYSA-N 545.433 6.136 50 10 KKGE Cc1cccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)c1 1084025205 HLDPEIKLCITYLE-UHFFFAOYSA-N 514.651 5.057 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084094511 WJNZCDBAWQAAJX-UHFFFAOYSA-N 547.236 5.245 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 1772745041 POBJATMLESNMMR-UHFFFAOYSA-N 505.880 5.689 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(Cl)c2)ccc1OCc1ccccc1 1865687158 KQSRKNQHKYDHGN-PMERELPUSA-N 575.068 7.058 50 10 KKGE CCCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1cccc(Cl)c1 1865692513 GPXDFQNTPCEQIE-RUZDIDTESA-N 543.023 6.217 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)c1 1865692944 GSGPFSLWOFAFLP-VWLOTQADSA-N 547.442 6.862 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865697474 UFNAWBJYCLBCSM-NRFANRHFSA-N 543.849 5.535 50 10 KKGE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700746 CRNICLXAPRZJFN-AREMUKBSSA-N 531.443 6.847 50 10 KKGE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865704287 RVNAMVZNNJDDEU-SSEXGKCCSA-N 526.640 7.156 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865704984 JOVJSEQVQIXFDW-MUUNZHRXSA-N 540.579 5.985 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706992 LGCSUPCFYSAFRD-MUUNZHRXSA-N 558.513 7.376 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)C[C@H](c2ccccc2)C2CC2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866718377 UCNUXPMZZROAGX-IZLXSDGUSA-N 527.646 5.435 50 10 KKGE CC(C)C[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Br)c1 1867199277 ZDOQHEDBHQDXCD-UIOOFZCWSA-N 566.521 6.224 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)nc2c1 1872728475 DUBVJRGHETXVTE-VCHYOVAHSA-N 506.345 6.072 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2ccccc2Cl)cs1 1872745908 JJCJLALAQOHUMM-CYVLTUHYSA-N 510.240 7.531 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 1872749610 ZPNINJCFRNTWGM-LCUIJRPUSA-N 507.571 6.349 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccc3ccccc23)cs1 1872751680 ALLYPRXCDIOMMW-RFBIWTDZSA-N 517.541 6.853 50 10 KKGE CN(Cc1cc(I)ccc1Cl)C[C@H](Br)COCc1ccccc1 1905031835 HMBMTMKHMDFYHE-INIZCTEOSA-N 508.625 5.357 50 10 KKGE CCc1ccsc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924583424 JTSZOKSMCUCHIQ-ZETCQYMHSA-N 523.935 7.144 50 10 KKGE CCc1cc(Br)c([C@@H](Br)c2scc(Br)c2Br)s1 1942100317 XPODFHSQBABSFL-SECBINFHSA-N 523.935 7.144 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cc(I)sn1 2007646023 VIPXIJHQWLCKMU-SNVBAGLBSA-N 511.379 5.787 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)oc1C 2015324728 DSFULTLDQIEXJR-MRVPVSSYSA-N 507.867 6.730 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]32)c1Br 2085495950 UHAXHHODZIPRPJ-ZSJKCOSDSA-N 566.751 7.219 50 10 KKGE Clc1cccc(Cl)c1C[C@H](Cl)c1c(Br)sc(Br)c1Br 2104787746 UKPLSPWPUJFART-QMMMGPOBSA-N 528.318 7.865 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cccc(F)c2Br)c1Br 2138854292 SLIILOSIDJCYAE-ZDUSSCGKSA-N 515.840 6.906 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(C2CC2)C1 2141468811 NWUYEKMKQWQBPV-RAPRUERJSA-N 536.327 7.453 50 10 KKGE COC1CC(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471626 UKRDTXGGQPWSFM-KAVNDROISA-N 584.766 6.988 50 10 KKGE Clc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141476767 GTMGJPHZBHKPKP-ZDUSSCGKSA-N 552.713 7.718 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1ccc(I)c(Cl)c1 2208037280 VBCLKFOZLJZXRR-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE Cn1ncc([C@@H](Br)Cc2ccc(Br)cc2Cl)c1I 2221699553 JLHRRWOVMUXQKL-JTQLQIEISA-N 504.391 5.119 50 10 KKGE Cc1cccc([C@@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2222472564 PLAXXNPQUXMHLH-VIFPVBQESA-N 517.906 7.023 50 10 KKGE Clc1cc(Br)c([C@@H](Br)Cc2cccc(Br)c2)c(Cl)c1Cl 2232513257 QJPYFSRQHABIAL-VIFPVBQESA-N 522.289 7.851 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1C[C@H]1CN(Cc2ccccc2)CCO1 2234073172 YVUQBQIVQGQVBA-OAHLLOKOSA-N 513.661 5.201 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2cc(Br)ccc2Cl)CC1 2263389745 SPGSCJGJIBRFIE-UHFFFAOYSA-N 544.655 5.824 50 10 KKGE COc1ccc([C@@H](Br)c2c(Cl)cccc2Br)c(Br)c1Cl 2283569161 WTVHGGRZBMFKRO-GFCCVEGCSA-N 503.843 7.011 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518753 REYRKKHZWKPZLF-UHFFFAOYSA-N 577.218 6.797 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 2313521315 FXBFYXMXPNGTPU-UHFFFAOYSA-N 511.803 6.544 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 2313521426 NIVSPWZQWMSKEA-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521552 WKOWSJHTGSWSPQ-UHFFFAOYSA-N 603.800 6.376 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccc(Br)cc1 2313738892 WXPDILKTMJXWLN-UHFFFAOYSA-N 542.773 6.144 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314451922 ISRQJUVOZZRQON-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NNC(=O)c1ccc(-c2ccc(Br)cc2)o1 2314478354 SEOCDWJNTBAEBG-UHFFFAOYSA-N 522.311 5.352 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593874 VJDAANRJJJLYII-DEOSSOPVSA-N 537.563 5.457 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 2314617413 XVYRWITZCOJWSQ-UHFFFAOYSA-N 518.617 6.029 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2314617835 BQVCEOILWNHSBF-LJQANCHMSA-N 517.412 6.926 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314619011 YDIYTFNOCCZLIL-UHFFFAOYSA-N 604.682 6.665 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 2314634624 POMYJXGLCZYNRL-SSEXGKCCSA-N 506.602 6.386 50 10 KKGE Brc1cc(CO[C@@H]2CCCCC[C@H]2I)ccc1I 2325370989 ILQJFSKXVIUYAR-ZIAGYGMSSA-N 535.001 5.707 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4Cl)cs3)CC2=O)cc1 2331251046 IBFXLXGSKXVWAB-KRWDZBQOSA-N 512.462 7.305 50 10 KKGE CCCCc1ccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(Cc3ccccn3)C4=O)n2)cc1 2331256138 VREKVOWIIULGEE-UHFFFAOYSA-N 520.614 6.294 50 10 KKGE COc1cc(C(O)=C(C#N)c2nc(-c3ccc(F)c(F)c3)cs2)c(Br)c(OC)c1OC 2331351565 FRWTXWSIPBIGPU-UHFFFAOYSA-N 509.328 5.826 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OC)c1OC 2331411669 AEUZVXQORXZZPK-UHFFFAOYSA-N 514.603 6.450 50 10 KKGE Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C3N(c4ccccc4)CCN3c3ccccc3)O2)c(=O)nc1O 2333326751 BXGVFHNVIRIZML-UODIDJSMSA-N 548.760 5.288 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2COC3(CCC3)CO2)c1Br 2338786262 ZYUONXCCNQLEED-HTRCEHHLSA-N 539.909 5.810 50 10 KKGE CC(C)c1cc(Br)cc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1 2361167284 AZZIZUCHSHKIDP-QHCPKHFHSA-N 508.681 8.242 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)n1C 2362445345 XFYBLUHLXAXEEI-VIFPVBQESA-N 509.826 6.184 50 10 KKGE CCSc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)c(Cl)c2)C2=C1C(=O)CC(C)(C)C2 9981422 WIJGZFBDPRUQHV-FQEVSTJZSA-N 504.508 7.108 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 38658569 UKJUUCXERJLZDS-MUUNZHRXSA-N 514.578 5.204 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680664 FMXYMIBUKDZRKY-CPJLOUKISA-N 506.961 6.194 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc3ccccc23)cc1Cl 38688548 FBWSWFXEAMTDJS-VWLOTQADSA-N 517.368 6.593 50 10 KKGE CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1OC 40977751 XBUYWVHIJOYTBN-WOJGMQOQSA-N 510.999 6.117 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc(Cl)cc1 58895078 NLCYPOIJUGOJIK-XTYFKDDUSA-N 507.030 6.010 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1 59460680 XXWDRDWBXIYVJY-GDWJVWIDSA-N 514.075 7.543 50 10 KKGE Cc1ccc(C)c(OCCCC(C)(C)C(=O)NNC(=O)COc2ccc(Cl)cc2Br)c1 66201464 KAMHPEQRYSMAPW-UHFFFAOYSA-N 511.844 5.131 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 100172643 MYDVKKRAJWKKSL-UHFFFAOYSA-N 584.349 6.308 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cn1 100482422 HOTVRTRXCZWASX-YCPBAFNGSA-N 524.158 5.402 50 10 KKGE Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)nc2ccccc21 100883575 WZVRXLZSIOFJME-PLRJNAJWSA-N 542.042 7.723 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241276 FPPAUWPZTHSWCL-RAMZYJDASA-N 586.035 6.500 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2F)C(=O)N1c1ccc(C(C)C)cc1 101246529 CPMJODQWFJAYLB-MIGQBWSYSA-N 515.610 6.023 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 101338090 QZLITDCHUJPPMU-AULUETOISA-N 540.623 5.698 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101338122 CYDFIUCDLQTSCN-PPOKSSTKSA-N 608.673 7.092 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)cc1OC 101372162 UYTLLKJRVQJPDE-DTDRWLINSA-N 554.643 6.500 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1 101375049 RUGLRNRTVCFQSN-XIFFEERXSA-N 584.713 7.517 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)c(OC)c1 101385934 CZBDPFJVQYAONA-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386692 QJKUURCXXCBWLT-NDTAFNIQSA-N 578.596 6.259 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1 101388767 PSIJBELKRHDYST-YTTGMZPUSA-N 617.485 7.174 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)CC1 101390973 UHCFHJZUDOAPFQ-YASXMZIQSA-N 536.672 7.386 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101393822 UYHSJBKVRKEXJV-JOCHJYFZSA-N 555.870 7.861 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101394844 QMFJCMIUGJHFCT-JGCGQSQUSA-N 580.681 7.763 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101602266 GLVGCZCZADGDHQ-OGLMXYFKSA-N 578.796 5.002 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614717 ZYZKKEWIBFGUQN-CLEHTXBKSA-N 551.434 5.698 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Br)cc2)cc1 103741574 NSQYQGBAHIFWQK-QPSWJSTDSA-N 587.326 7.129 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 103742252 OWDPVISZKIIERO-IQQNDYETSA-N 528.848 6.712 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 103746700 ZAXFHSSNTPYZTL-RQAATEJQSA-N 524.573 5.111 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc2ccccc12 103789672 JIVVBMHMVAPZAD-ZXVVBBHZSA-N 596.525 6.836 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc(C)cc1 103796669 PHIBPRMZDFENCW-SEBMTOOBSA-N 622.563 8.265 50 10 KKGE CCCCc1ccc(N(C(=O)CCl)[C@H](C(=O)NC2CCCCC2)c2ccc(OCCCN3CCN(C)CC3)cc2)c(C)c1 117410118 OIPQHXAOBXAJIU-UMSFTDKQSA-N 611.271 6.116 50 10 KKGE N#C/C(=C(\NC(=O)c1ccccc1)SCC(=O)Nc1ccc(Br)cc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 150363530 WOVLNLWGPSNBIS-IMIUQWTHSA-N 659.005 7.996 50 10 KKGE COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2)cc1 150415379 OODZXNGYOMVCDM-DBMXBCQFSA-N 670.678 5.670 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)cc1 150429916 GHAZDPISGSCYSL-PCYMAAINSA-N 627.306 6.540 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 214322188 QCSUVIFERIGCBT-OZVJIIIZSA-N 534.616 5.184 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3cc(I)ccc3Br)c1)OCC2 232482408 MFFXHVJWUNLUNL-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Br)c1 232482613 YUOHJDCYYRXUMO-ZDUSSCGKSA-N 562.719 7.221 50 10 KKGE Clc1ccc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c1 236051531 ROJLIGCAMZEBIY-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Cl)c(Br)s2)c1 236069118 YUCCQPKDMSBMOY-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE CCCCCCCCCCCCOc1ccc(C=NNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 252627683 RZLBYDNPHJQKMP-LUAMTJFESA-N 556.835 9.283 50 10 KKGE CCCCCC/C(C=NNC(=O)CCCCCCCCC(=O)NN=C/C(=C/c1ccccc1)CCCCCC)=C/c1ccccc1 254385076 FOVDUZMLIRPKAK-IOADQRJDSA-N 626.930 10.419 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=Cc3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1OC 254615497 DXNMHNFEZQAQIP-UHFFFAOYSA-N 549.656 5.861 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 254792082 CHVAGOXSDKUWBU-UHFFFAOYSA-N 546.562 5.020 50 10 KKGE C/C(C=NNC(=O)COc1ccc(C)c(C)c1)=C\c1ccc(/C=C(\C)C=NNC(=O)COc2ccc(C)c(C)c2)cc1 254819390 WPAOFQKWYJAEOY-RXTDVHMYSA-N 566.702 6.089 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C\c3ccccc3)n2-c2ccccc2)cc1OC 254821336 XHHAOLIMHNWIDC-YATNWBCGSA-N 534.041 5.426 50 10 KKGE CCCO[C@@H]1[C@@H](Br)C[C@H]1Oc1c(Br)cc(Br)cc1Br 300475091 TUDBZXDZCRVJQM-DMDPSCGWSA-N 521.869 5.684 50 10 KKGE Br[C@H](c1csc(I)c1)c1cc(I)cc2c1OCC2 302484169 HWURYEOFCHKQAT-GFCCVEGCSA-N 546.993 5.377 50 10 KKGE BrCC(CBr)(CCCOCc1ccccc1)c1cccc(Br)c1 309856489 LHSHLVOATWRXBN-UHFFFAOYSA-N 505.088 6.474 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2ccc(Br)cc2Cl)[C@@H](CI)C1 382737278 XRTXRTKWGPLQNN-YOEHRIQHSA-N 534.619 5.890 50 10 KKGE CC[C@H](C[C@](C)(C[C@H](C)c1ccccc1)C(=O)OCCOC(=O)C(C)(C)[C@H](C[C@H](C[C@@H](C)c1ccc(CCl)cc1)c1ccccc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 575409259 QTLYZIRMVXHXBE-JGWJQEODSA-N 896.480 15.251 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccccc2OCc2ccc(I)cc2)cc1 725398242 KZUDNSUQBUOVJG-DEOSSOPVSA-N 558.416 5.233 50 10 KKGE CCCCCCCCCCCCCC(=O)[C@@H](CCl)C(O)(O)C(=O)CCCCCCCCCCC 888085190 JUCLRERMUXICBO-AREMUKBSSA-N 503.208 8.283 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccc2c(c1)OCO2 1083890366 PRTXDPOEOKQWLU-UHFFFAOYSA-N 638.518 7.295 50 10 KKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C2C3CC4CC(C3)CC2C4)cc1 1083892664 FLIHJNLCAXAONU-UHFFFAOYSA-N 557.738 7.020 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccccc1 1084111251 RMRSQVFKYNSAED-UHFFFAOYSA-N 605.226 6.151 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccccc1 1084174165 ZEAQJYAAWHLRPV-UHFFFAOYSA-N 519.395 6.275 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2ccccc2C)cc1 1084415941 HNXOQHPNZYKJJC-UHFFFAOYSA-N 542.705 5.673 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1 1084482681 TZPOUEZZNDQRJY-UHFFFAOYSA-N 522.399 5.461 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 1084496898 CRKDAVJNGICMNL-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE ClP1(Cl)(Cl)n2c3ccc2[C@H](c2ccccc2)[C@H]2C=C[C@@H](N2)[C@H](c2ccccc2)c2ccc(n21)[C@H](c1ccccc1)[C@H]1C=C[C@@H](N1)[C@@H]3c1ccccc1 1307259477 YEYOZUHMZWTTAC-QZQXKCJNSA-N 760.149 10.879 50 10 KKGE O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1c(Cl)cccc1Cl 1772760460 OKDADIJMKUFXJR-UHFFFAOYSA-N 502.448 6.425 50 10 KKGE CO[C@@H]1[C@@H](CS(=O)(=O)c2ccc(C)cc2)[C@@H](CC=O)O[C@@H]1C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C 1777003566 KOLNCCOWEPGLNP-XDKVJHQISA-N 614.994 6.559 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681336 KPNIMOINKLMADF-HSZRJFAPSA-N 518.932 5.029 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688708 YUIVRSSZRAXZCW-GDLZYMKVSA-N 538.623 5.871 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OCC 1865691187 LVWKOSDRTJPEBT-WJOKGBTCSA-N 578.713 7.101 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OCC 1865691519 UTHDJQZVHCQMEB-MHZLTWQESA-N 522.605 5.954 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)cc1OC 1865695968 AWIOWSBNLWZYMJ-GOSISDBHSA-N 567.337 5.477 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1cc(Br)ccc1O 1865697083 WMRDTPAOTOHNHJ-MRXNPFEDSA-N 525.712 5.290 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701231 PLKQOUXPPBAKOD-SFHVURJKSA-N 564.665 5.596 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701263 QQFHUNMUCJEJQM-VWLOTQADSA-N 532.431 6.324 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703705 ZUPTYWGUDLHQCW-SANMLTNESA-N 549.433 6.737 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707440 XBXRYRBANAMJJH-HSZRJFAPSA-N 549.414 5.846 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1 1865707690 DDLUPYHVOZWFHV-JOCHJYFZSA-N 515.367 5.234 50 10 KKGE COc1cc(/C=N\NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2C)cc(Br)c1O 1865760546 COKDLSBWBRNNDE-MRUKODCESA-N 509.187 5.604 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc(C(=O)OCCc2ccccc2)c1C 1866128444 RZIFIEHFSNHSNK-HMMYKYKNSA-N 523.010 5.832 50 10 KKGE CC(C)(C)OC(=O)N(CCC(=O)N[C@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1)Cc1cccnc1 1867083449 XDGHKVQQDATHGU-SANMLTNESA-N 545.665 5.278 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2sc(C)nc2C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1867157153 RIAVNFHDWJTBAE-JOCHJYFZSA-N 522.652 5.053 50 10 KKGE CCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(CCCc3ccc(OC)cc3)CC2)n1 1868387896 BQGWDDHEEZDUKZ-UHFFFAOYSA-N 502.688 5.509 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccncc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433136 FVGCOPFJPURKCZ-HSZRJFAPSA-N 501.015 6.087 50 10 KKGE COC(=O)c1ccc2c(O)nc(/C(C#N)=C/c3cccc(OC)c3OCc3ccc(Cl)c(Cl)c3)nc2c1 1872728770 SFMLEXLVHKRMSZ-WOJGMQOQSA-N 536.371 6.081 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)cc(Br)c3O)n2)cc1 1872790794 FKPUFHXWYLTBHY-OVCLIPMQSA-N 520.246 6.894 50 10 KKGE Fc1cc(Br)cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c1 1924594348 MENLKHVRLKZNGL-MRVPVSSYSA-N 586.738 7.422 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2cccc(Br)c2Br)s1 1948827777 DJZLSEOBIXPDHZ-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE COc1sc([C@H](Br)c2cccc(F)c2I)cc1Br 2034644017 XUWKQQXLVSJWHO-SNVBAGLBSA-N 505.972 5.747 50 10 KKGE CCOC(=O)C12CC(CI)(C1)O[C@H]2c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2049395486 DGYYMBOESHFIDP-GRTSSRMGSA-N 508.196 5.313 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCCC1 2085496018 OHSZNAVAEXJURU-ZDUSSCGKSA-N 524.316 7.597 50 10 KKGE O=S1(=O)CC[C@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472030 ZBSBLXKNRZYLLV-CDUCUWFYSA-N 604.778 5.607 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(Cl)s1 2141477107 LMUXUEUNBGNGKN-SNVBAGLBSA-N 593.187 8.433 50 10 KKGE CCc1nn(-c2cc(Br)cc(F)c2CBr)c(CC)c1I 2170684410 IXNGTFMURIIUAC-UHFFFAOYSA-N 515.990 5.398 50 10 KKGE FC(F)(F)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCCCC1 2173213404 YWWQQKPVXRBZHE-QMMMGPOBSA-N 563.897 7.984 50 10 KKGE CCCOc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1CBr 2179827025 ZUVQDCKIXJUADT-UHFFFAOYSA-N 545.543 5.693 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CO[C@H]2COC[C@H]12 2206394075 DGLXWKWAPDZKJW-BJMQDQJUSA-N 554.298 5.678 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)s1 2224784483 XFEZUXABLLYHRN-JTQLQIEISA-N 553.961 7.118 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@@H](Br)c1cccc(Br)c1Cl 2225617358 TXBTZTQVMLURIX-LBPRGKRZSA-N 536.258 7.251 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Br)c(Cl)c1Cl 2232511776 LZPZCMCNGBUINP-LLVKDONJSA-N 542.707 8.310 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2c(Br)sc(C)c2C)c(C)c1Br 2235597283 BLXLTFPQUBLRFL-AWEZNQCLSA-N 501.509 7.597 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cccc(Br)c2Br)c(C)c1Br 2235610578 GAMLYKCHTFRQRN-OAHLLOKOSA-N 546.322 7.682 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(I)c2)cc1Br 2268278523 HMIUOTOPZAJGNN-AWEZNQCLSA-N 579.295 7.262 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1 2293198321 UJRQDKYJSGAQHE-QHCPKHFHSA-N 542.875 7.020 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 2296789957 FDPBGEIUAYUQLO-UHFFFAOYSA-N 513.616 6.428 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 2297458551 ATBPDAQZZCEECS-QFIPXVFZSA-N 601.295 6.416 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(C=C(C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1 2313556469 AGGMVSWUGCSYLS-UHFFFAOYSA-N 500.986 5.281 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Br)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571044 LZWNOJOBWHCTOB-UHFFFAOYSA-N 753.987 8.090 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)cc1 2314433478 NPXQBIWVHITIGF-UHFFFAOYSA-N 535.607 7.140 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4s3)c2)C1 2314476014 HGMRIEWTIMRADC-GOTSBHOMSA-N 579.751 6.880 50 10 KKGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314489218 QSGKPLIOHUSMOV-UHFFFAOYSA-N 546.362 6.041 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1cc(I)ccc1Br 2314499916 IGWGHGWWUCJMBL-FQEVSTJZSA-N 636.947 7.880 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3cccc(Cl)c3)o2)sc2c1CC[C@H](CC)C2 2314572347 YYEZNJKWUDYTPZ-INIZCTEOSA-N 509.027 6.899 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592416 SWRZGZACGOBEJU-VWLOTQADSA-N 518.038 6.112 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593039 GKHHSMXFUCCSDF-KPURRNSFSA-N 539.701 6.512 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593103 HNMHANWOMUCLRN-RUZDIDTESA-N 546.490 5.754 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593824 UFVZOEZAQZXWQB-VWLOTQADSA-N 562.489 5.590 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 2314617817 BLGNNPHZFFOXLN-JOCHJYFZSA-N 544.611 5.910 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314618201 JDWJGETYUKZNFW-PMERELPUSA-N 605.094 6.543 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 2314737367 CAVNLGYJNDQFAC-UHFFFAOYSA-N 538.043 7.723 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C(C#N)=Cc1ccc(OCC)c(OC)c1 2314777849 XUICNTZZVDBGMQ-UHFFFAOYSA-N 504.608 6.162 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 2329663775 OMGOLRXPPDVRTD-MRXNPFEDSA-N 501.446 5.994 50 10 KKGE COc1c(Cl)cc(Cl)cc1-c1csc(C(C#N)=C(O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 2331362799 RVUFYCVOXCNTFT-OAHLLOKOSA-N 500.407 5.967 50 10 KKGE COc1cc(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)c(OC)cc1Cl 2331376948 NRTGEKAOPMMCOG-UHFFFAOYSA-N 519.450 7.403 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Cl)cc2I)c(C)cc1Br 2340063200 IGENYIIJCDZYFF-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)C1 2361171154 JIECNBLZKZTEBT-ZOCIIQOWSA-N 508.172 6.822 50 10 KKGE CC1CCC2(CC1)[C@H](Br)C[C@H]2Oc1cc(Br)cc(I)c1 2364267277 IGRSAZBGNCWBFF-AFXUSDCHSA-N 514.039 6.165 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(I)ccc1F 2365230448 IZLOOXVXKLNTMN-ZDUSSCGKSA-N 536.379 6.731 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 33385769 ZJZFPMBZICCBNI-PLRJNAJWSA-N 510.622 7.792 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@H]1c1cccc(Br)c1 38651559 BKCLRVWSGAYSAV-HSZRJFAPSA-N 511.759 5.305 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)ccc2OC)cc1 38659832 ZKYPHYGWUJNQHU-NDEPHWFRSA-N 514.578 5.710 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59260874 WEBVOVCUUNMWPW-VGSHQSRASA-N 526.666 5.286 50 10 KKGE CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 100158272 QQUYCMCBILGHNX-VOZXZEHESA-N 536.253 6.643 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 100327110 NQOGLUPBLMTHBJ-WHXCVRPHSA-N 531.834 5.654 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CCCCC1 100883454 OCFCMSDYSCFAON-PLRJNAJWSA-N 537.063 7.128 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338067 XQZISRMEYBUYDR-IWBSIUBASA-N 584.720 7.333 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101375192 HMYINRZUCQPMFH-SSEXGKCCSA-N 547.051 6.530 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)c1 101380798 CIRVBESDWAOIKV-HKBQPEDESA-N 536.559 5.916 50 10 KKGE COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(C)cc2)c(OC)c1 101385209 LUNRBZCEGAASPY-XIFFEERXSA-N 578.621 5.794 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)ccc1OCc1ccc(C)cc1 101388025 HCFVJHAGIRELHJ-HKBQPEDESA-N 577.593 6.318 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601601 AOVUCSWBTAZCTN-STKMKYKTSA-N 548.426 7.410 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cc(C(F)(F)F)ccc5Cl)c(C)c43)coc2c1 101620123 VVMMWVAGPUWIPZ-JEPNHJGPSA-N 571.983 7.275 50 10 KKGE N#C/C(=C\c1ccc(OC(=O)c2cc(Br)c(Br)s2)cc1)C(=O)NCc1ccco1 101735196 YJDFZSSHBORXHH-MDWZMJQESA-N 536.201 5.309 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c(C)n1-c1ccc(Cl)cc1 103025681 CCFJIAYTEKSTNW-GRSHGNNSSA-N 541.891 7.647 50 10 KKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1c1cc(Cl)ccc1OCc1cccc2ccccc12 103563574 HHTKNEOZILSLJY-PMERELPUSA-N 555.037 7.834 50 10 KKGE COc1cc([N+](=O)[O-])ccc1-n1nc(C)c(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c1C 103733824 AXZXXSDOQDIKPG-FDAWAROLSA-N 541.608 5.261 50 10 KKGE O=C(/C=C/C=C/c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1)c1ccc(Br)cc1 105299180 PPGXKIRDZFASDR-WHVSFRINSA-N 578.466 7.989 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)cc1Br 161224436 NIONUDMCFQNQHL-CQSZACIVSA-N 515.840 6.906 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 164643414 DIVPWAPJIQCJHI-XZYGTATASA-N 688.376 8.229 50 10 KKGE O=C(Nc1ccccc1)N1C[C@H](P(c2ccccc2)c2ccccc2)C[C@H]1CP(c1ccccc1)c1ccccc1 207630202 AAYSIAJWYYFANM-LWQYYNMXSA-N 572.629 6.927 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 214243098 HAPIJCIQOOKLQS-IBTHDSTKSA-N 620.753 8.444 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214258214 ZOQYRCPQUFVZNP-SZJFIWSWSA-N 508.622 6.026 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 214400612 JOUVXNIXDLNCDU-QXPFVDMISA-N 584.676 6.256 50 10 KKGE C[C@H](C=O)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@@H]3CC[C@]12C)n1c(=O)c2ccccc2c(=O)n14 253497432 CFLHTDQMABEIIR-FTUPDRIBSA-N 602.892 6.995 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)c3ccccc3)c2c1O 254296290 QJWMMDMDBMECEP-UHFFFAOYSA-N 754.840 8.285 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)cc3)nnc2-c2ccccc2)cc1 254489550 YMQIYGYRAWWPPN-UHFFFAOYSA-N 533.657 6.064 50 10 KKGE C[C@@H]1CCc2nc(NC(=O)[C@@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)sc2C1 256019099 KUTHFCPFJXOZNN-CYRWYEDOSA-N 555.174 5.892 50 10 KKGE O=C(C(=O)N(Cc1cccc2ccccc12)/N=C/c1cccc2ccccc12)N(Cc1cccc2ccccc12)/N=C/c1cccc2ccccc12 575431819 GOWWFNDAXQESRX-GWSDYOLYSA-N 674.804 9.725 50 10 KKGE Fc1ccc2c(c1)nc(CCl)n2-c1cc(I)cc(I)c1 690394186 YIXQJYGZKFLTDJ-UHFFFAOYSA-N 512.491 5.113 50 10 KKGE O=C1OC(=O)c2c1cccc2C(c1ccc(-c2ccc(C(c3cccc4c3C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)cc2)cc1)(C(F)(F)F)C(F)(F)F 725328483 PEYDDFCPRTZPOT-UHFFFAOYSA-N 746.456 8.796 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)cc1C 1083949356 ZNKKCVKEZMWRCH-NDENLUEZSA-N 540.255 6.953 50 10 KKGE CCN(CC)c1ccc([C@H]2N(/C(CCl)=N\S(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 1084006264 VTXRFBOAMCQPRE-VATCEOODSA-N 617.237 5.571 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1084024351 CKIXUVZCSPLAJK-RUZDIDTESA-N 681.365 6.394 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 1084138955 IYNQDRFAIXXJNC-UHFFFAOYSA-N 691.977 5.896 50 10 KKGE Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccccc1 1084227518 OFBNRKYHYQHTAG-UHFFFAOYSA-N 557.083 5.269 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 1084378789 CTNATUBUTVSERB-UHFFFAOYSA-N 535.069 5.089 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 1084391346 AUVLYDSUNPUABG-YBURJJMZSA-N 553.747 6.925 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084411593 DCYHTDRAWIFUEO-UHFFFAOYSA-N 565.095 5.492 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccccc2)cc1 1084491133 QFAZUABLAQONDJ-UHFFFAOYSA-N 587.386 5.593 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 1084525861 FSDMADUEAOMDQZ-UHFFFAOYSA-N 554.323 7.201 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)c2C)c(C)c1 1084532352 HOBICVCLIAUIOI-UHFFFAOYSA-N 563.123 6.018 50 10 KKGE Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)cc2)S(C)(=O)=O)cc1C 1084649070 WJPZEQLJALKWOW-UHFFFAOYSA-N 556.732 6.058 50 10 KKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C)cc1C 1084650382 UANJZMBUUDLYAI-UHFFFAOYSA-N 588.368 6.295 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc3ccc(OC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC 1772720172 HCTMQKFRPXDQQE-UHFFFAOYSA-N 752.821 6.491 50 10 KKGE CC(C)OC(=O)OCOP(=O)(CO[C@@H](C)Cn1cnc2c(NCN=c3nc(O)n([C@@H]4CS[C@H](CO[Si](C)(C)C(C)(C)C)O4)cc3F)ncnc21)OCOC(=O)OC(C)C 1848434477 FVBLNPPIUUZCSK-AYRHNUGRSA-N 892.974 6.075 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OCC 1865687610 VWGZQRDWDBBBMJ-MUUNZHRXSA-N 571.077 6.997 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690240 MJDIJMRTKMMOTQ-HHHXNRCGSA-N 529.015 6.474 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865691601 WBNZIPWWPMFDEF-MHZLTWQESA-N 553.078 6.862 50 10 KKGE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701150 NNMPYFMPSDCLGE-AREMUKBSSA-N 565.888 7.251 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865707274 SIQKVVKQXBDSME-RUZDIDTESA-N 529.566 6.444 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)cc1 1866866094 DOQASFZXSFYSQE-IZZNHLLZSA-N 575.785 5.655 50 10 KKGE CCC[C@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)Nc1ccc(SC#N)cc1 1867129925 YWVJJSNFAJJMPN-IERDGZPVSA-N 518.477 5.838 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@@H]2c2ccccc2)n1 1868300822 IRDCQIOXUHLOIU-DHUJRADRSA-N 567.762 9.044 50 10 KKGE COc1ccccc1[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(F)cc2)n1 1868456107 KBQRSVAXLNBZBO-YTTGMZPUSA-N 559.670 7.760 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H](Oc4ccccc4)C3)n2)cc1 1868527644 DPWHALJLHFIASG-SANMLTNESA-N 523.662 6.907 50 10 KKGE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 1873793642 URLKEQSZVOTJHZ-IWZMSNSGSA-N 508.446 5.962 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1OCc1ccc(F)cc1 1873794925 JPDXLPOGXREIIS-ZMRKYAEKSA-N 501.599 5.193 50 10 KKGE Cc1ccc(F)cc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924585051 GQQBZURUTFPBGP-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Cc1c(Br)cccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595385 YKCCLHYTCJVWHM-SECBINFHSA-N 582.775 7.591 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C[C@@H]2C[C@H]3C[C@H]3C2)c1Br 1950082346 UQXNLPLGKOUCRH-YWIQKCBGSA-N 507.911 6.908 50 10 KKGE C[C@H](C1CC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780172 POBBIRKUMGLMMH-FWOIEVBISA-N 554.740 7.219 50 10 KKGE CC[C@@H]1C[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025780297 QMLOOILRNQDJTJ-IJESPZCISA-N 510.289 7.063 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=Cc3cc(C)n(-c4ccccc4F)c3C)c2C)c1 2053622571 FIWSRMRDISVRHR-UHFFFAOYSA-N 553.590 6.004 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2cc(Br)ccc2I)c1C 2082873934 PACWZPKPZQJNFL-GFCCVEGCSA-N 520.455 6.823 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2cc3c(s2)CCOC3)c1Br 2103246852 PYESYLWZTYRGLA-VIFPVBQESA-N 551.945 6.654 50 10 KKGE CC[C@@]12CC[C@@]([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2137169351 HUWODYZJOYDDIP-XDTLVQLUSA-N 537.937 6.821 50 10 KKGE C[C@@H]1O[C@H](C)C[C@@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141471657 UTAHASODWJAADE-WDOVLDDZSA-N 584.766 6.986 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(I)ccc2Br)cc1Br 2202346361 QDJLHWINPULQQK-CQSZACIVSA-N 550.843 6.806 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1ccc(I)c(C)c1 2207112180 WMMQIILCRRJLHG-INIZCTEOSA-N 510.007 6.163 50 10 KKGE Clc1cc([C@H](Br)c2ccc(Br)cc2I)c(Cl)c(Cl)c1Cl 2207275372 LACDFMRAVPZOHH-SNVBAGLBSA-N 589.707 8.152 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1Br 2225632640 DMBWEIVCMIVGMI-AWEZNQCLSA-N 515.840 6.906 50 10 KKGE Brc1scc([C@H](Br)c2ccc3c(c2Br)CCO3)c1Br 2229725725 PADAOPJDQHXIDB-LLVKDONJSA-N 531.889 6.455 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1scc(Br)c1Cl 2253602239 SKPUPQJLHJIGBC-VIFPVBQESA-N 542.287 7.312 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1csc(I)c1 2260072928 FGVOOURKLMIODF-VIFPVBQESA-N 572.832 6.640 50 10 KKGE Fc1cccc(I)c1[C@@H](Br)c1cc(Br)c2c(c1)CCO2 2282787149 NDDAUXVVFBHJHU-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE COc1c([C@@H](Br)c2cc(Br)c(Br)s2)cc(Br)c(C)c1C 2284591418 QPAWJLIUJNBCSL-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1cc(Cl)ccc1I 2288346566 KIZPOBBECBCQPF-LBPRGKRZSA-N 556.797 7.076 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 2294187497 XOTWUOIXOZMBAG-UHFFFAOYSA-N 527.577 5.533 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccccc1Cl 2313521611 ZIEVZOGRCDZGTE-UHFFFAOYSA-N 572.830 6.776 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O 2313570934 JLQMSOZFYZTHFF-UHFFFAOYSA-N 503.123 5.248 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571079 MWDIAZXKYHPJIT-UHFFFAOYSA-N 542.249 8.578 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2313738681 OFKQMTCFNNWRKA-UHFFFAOYSA-N 535.747 7.246 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314592120 MEAGWLVGGCEBDX-AREMUKBSSA-N 532.065 6.537 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314617025 PGFNGKRJEYWBAM-UHFFFAOYSA-N 586.648 6.156 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C(C)=C(C#N)C1=O 2314618068 GPCLZAHOFIVNPX-UHFFFAOYSA-N 552.675 5.901 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)C(C)=C(C#N)C1=O 2314618495 ONFSABKJJRRRHO-UHFFFAOYSA-N 576.628 5.886 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)cc3C)c2C(=O)OCC)cc1 2314793649 WPNQEIWRLDSPSK-UHFFFAOYSA-N 502.636 6.933 50 10 KKGE N#CC(=Cc1ccc(Br)cc1)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 2329656736 CDCWMQAJJKBOJP-SANMLTNESA-N 561.432 5.108 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)c1nc(-c2ccc3c(c2)CCCC3)cs1 2331239974 AMTGEMMGCNBUOU-UHFFFAOYSA-N 518.598 5.830 50 10 KKGE N#CC(=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(F)cc2F)cs1 2331292892 SCIXLAQTHMBHOJ-UHFFFAOYSA-N 521.998 5.866 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Cl)cc3Cl)n2)c(OCC)c1 2331389160 ZANACGLYCAIYDG-UHFFFAOYSA-N 519.450 7.566 50 10 KKGE Clc1ccc(COc2ccc(Br)c(CBr)c2)cc1I 2337269989 GMWADRMUUPORCD-UHFFFAOYSA-N 516.398 6.181 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)ncn2C)c(C)c1Br 2337317820 SPWAAEXBOMUJKL-NSHDSACASA-N 515.869 5.809 50 10 KKGE CC1(C)CC(CBr)(COc2c(I)cc(Cl)cc2I)C1 2345008693 SSERNVUYGUCESB-UHFFFAOYSA-N 569.446 6.129 50 10 KKGE Cc1ccc([C@H](CBr)OCc2cc(I)ccc2Br)cc1 2367602033 PDUYDRJWUQAECM-INIZCTEOSA-N 510.007 6.015 50 10 KKGE Fc1cccc([C@@H](CBr)OCc2cc(I)ccc2Br)c1 2367602178 QHKLQUALUZVJHI-OAHLLOKOSA-N 513.970 5.846 50 10 KKGE N#C/C(C(=O)NCCc1ccccc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 935351 NBLAPFZYMGEWCK-BSSRNLCFSA-N 532.463 5.234 50 10 KKGE CC(C)[C@H](Br)C(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)[C@@H](Br)C(C)C)cc2)cc1 33353146 JHQYJMAHROAZLD-VXKWHMMOSA-N 554.319 6.662 50 10 KKGE O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1)[C@@H](Cl)c1ccccc1 34919442 LSBDIVSPJXIECD-IGKIAQTJSA-N 524.086 5.561 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(OC)c1 38658654 FYIZPVPJABEXOB-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCCC(C)C)c2)cc1 38684676 RUCGOYJXXGTJCK-PMERELPUSA-N 526.633 6.728 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 38686700 NHYCCVIWDFVXDJ-MUUNZHRXSA-N 508.961 6.356 50 10 KKGE Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Cl)c(Cl)c3)oc2c1 38688339 JJBBBROTWUMJNW-VWLOTQADSA-N 519.384 7.102 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccccc3)CCC4)ccc21 40804034 ZUKIEPGQEFXLDH-IWBSIUBASA-N 504.590 6.439 50 10 KKGE COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4cc(C)cc(C)c24)CCC3)c1 40826857 JDKFZACUTDJBHL-RUMWWMSVSA-N 529.593 5.620 50 10 KKGE CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1OC 40890429 GYWQZMPHDQPGJU-RJOMAKBYSA-N 506.599 5.325 50 10 KKGE O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(SSc3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O 78920146 RVMWAOQDZIBWLB-UHFFFAOYSA-N 596.598 5.484 50 10 KKGE COc1cc([C@H](C(=O)NC2CCCCCC2)N(Cc2ccc(F)cc2)C(=O)CCl)ccc1OC(C)C 97914880 ZRSRCNADQLBAOW-HHHXNRCGSA-N 519.057 5.769 50 10 KKGE COc1ccc(/C=N\NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1CSc1nc2ccccc2o1 100185209 DTTQIQQJOLNLKM-MWLSYYOVSA-N 542.642 6.206 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 100335497 IKWXPUVWTABKAP-YBFXNURJSA-N 522.355 5.799 50 10 KKGE CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101332563 DFPWKEYZCWMTHD-OGLMXYFKSA-N 532.575 5.870 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C1=O 101333216 ACQRSEBBZAYACS-LFVJCYFKSA-N 529.438 6.084 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 101340918 PXACHQPFPULROS-ZVHZXABRSA-N 530.983 6.249 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCCC(C)C 101368241 KQXUYOQBDURYNS-GDLZYMKVSA-N 532.568 5.462 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 101375354 SQVQQEPEYZGLMM-GDLZYMKVSA-N 581.496 7.789 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 101384648 DFZDQIIYFADHSH-HKBQPEDESA-N 587.459 7.083 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101387584 DFRFYMFOWCCOKW-GDLZYMKVSA-N 607.877 7.672 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccccc1F 101389153 XOEDSABZDTXBNG-JGCGQSQUSA-N 580.612 6.639 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCCC(C)C 101393400 XYVALNWFVZBEOI-HKBQPEDESA-N 566.654 7.229 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1Cl 101394463 JWGXHGHUIMXJFI-FQEVSTJZSA-N 519.743 6.232 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101395962 WHDVMHYIJUMLQK-XIFFEERXSA-N 594.708 8.099 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 101397025 CLBSHRJEYNOHIF-LJAQVGFWSA-N 536.628 7.364 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 102990168 OYTJDTFVTILRSF-LGMDPLHJSA-N 539.495 5.102 50 10 KKGE N#C/C(=C/c1ccc(I)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 103311433 MFSUNJCVCQUOJY-BOPFTXTBSA-N 532.362 6.738 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741635 FSILSWCGKGEONO-SCIJIFGBSA-N 583.305 6.277 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 150485801 GKZBFLIZOMLVEE-ZGYBZLKDSA-N 738.690 8.114 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Cl)c(Cl)c1 164643849 YDPUOINTWDWMQL-VPUKRXIYSA-N 674.116 7.458 50 10 KKGE CCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2OC)cc1 206436068 ZWGHDBGOUJDOIM-TYNPDKIBSA-N 525.561 5.203 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)cc1OC 206541267 DMQKVTQRVCEKFH-HMAPJEAMSA-N 532.593 5.411 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)C1=O 214243535 CFGPEKPEKXYHRZ-FSGOGVSDSA-N 550.703 7.055 50 10 KKGE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(/C#N)c4nc5ccccc5s4)cc3)cc2)C[C@@H](C)O1 229825696 UYHHGHATHSRWIJ-JWFIYZLRSA-N 559.669 5.378 50 10 KKGE Brc1ccc(I)c([C@H](Br)c2sccc2Br)c1 232482209 BPORXXDSISWVES-JTQLQIEISA-N 536.852 6.362 50 10 KKGE Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(N4CCC(c5ccccc5)=N4)cc3)c3ccccc3n2)cc1 254343324 NNKAQWJYUBXSHM-UHFFFAOYSA-N 509.613 6.589 50 10 KKGE COc1cc(C=NNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 254792286 UXELRRXXQXXZJV-BGYRXZFFSA-N 534.632 5.174 50 10 KKGE CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Br)[C@@]2(Br)C1 256024955 KJASBUNXPWZRDN-LKPHKFNMSA-N 714.752 12.441 50 10 KKGE O=C(NC1CCN(C(=O)OC(=O)OCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 309671431 SYCIJWJFNRPARD-UHFFFAOYSA-N 500.551 5.463 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1cncc(Br)c1 312032179 ZKFPTTNIMDXOBP-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@@]12C 504817628 CZPMLPQARRFNQN-DGCAZEFISA-N 537.692 9.728 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721589870 VNVHBGVTOBRYAF-AWEZNQCLSA-N 534.388 6.292 50 10 KKGE Fc1cccc([C@H](Br)c2cc(Br)c(Br)s2)c1I 721673914 VIVWCGROSLQTSV-VIFPVBQESA-N 554.842 6.501 50 10 KKGE COc1ccc2c(c1)CCN(C(=O)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1)C2 725238941 ZCVOTCSGNICMPK-QHCPKHFHSA-N 522.976 5.674 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 725397540 VPLPHCSKBPHCSM-RUZDIDTESA-N 551.437 5.419 50 10 KKGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2C(F)(F)F)c1C)S(=O)(=O)c1ccccc1 1083910910 MZKWVVVBQNSLDD-UHFFFAOYSA-N 619.065 6.121 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1)c1ccc(Cl)cc1 1083999701 HVGRREMRQOYQFV-UHFFFAOYSA-N 559.028 6.258 50 10 KKGE O=C(NN=C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)c2ccc(F)cc2)c1 1084027814 HQOKBKLHLUVKMM-UHFFFAOYSA-N 527.599 7.122 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 1084135666 RQHGPBUNKIBROB-UHFFFAOYSA-N 555.487 5.747 50 10 KKGE Cc1cccc(C)c1-n1c(C)c(Br)c(C=NNC(=O)CSCc2cccc(Cl)c2)c1C 1084151374 VYMWCONCKRKGKL-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE O=C(NN=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 1084171239 MTCRYCLTETWZDJ-UHFFFAOYSA-N 508.250 5.932 50 10 KKGE COc1ccc2cc(C=NNC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)c(Cl)nc2c1 1084288071 RKLULTQEOPNQSU-UHFFFAOYSA-N 557.459 5.204 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCc1ccc(F)cc1 1084298974 YKXVOCHHXGQSMU-UHFFFAOYSA-N 551.412 6.805 50 10 KKGE COc1cccc(N(CC(=O)NN=Cc2ccc(OCc3cccc(Cl)c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 1084309801 HUKVSKPLKHMWRD-UHFFFAOYSA-N 578.090 5.582 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 1084405805 XZULAYRVFSLBQM-UHFFFAOYSA-N 633.373 8.865 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1F 1084527198 CCHDNYBLRWGHJV-PMERELPUSA-N 526.637 5.771 50 10 KKGE N#C/C(=C\c1cc(I)c(OCc2cccc3ccccc23)c(I)c1)C(=O)NCCc1c[nH]c2ccccc12 1084535604 XMRXLSNYKVZNBV-ZVHZXABRSA-N 723.352 7.375 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(I)cc1)c1cc2cc(Br)ccc2o1 1084615415 RGLRQSXVYDIFCO-UHFFFAOYSA-N 575.200 6.143 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 1614611880 LVQSCLBKGHGMFF-XDFXEABYSA-N 554.597 8.375 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1772742946 KZZZKOQYWKFQQO-JQKULGJYSA-N 566.510 6.696 50 10 KKGE CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848432705 QPYJMHIDEUSFNK-JJAQGYHKSA-N 807.813 7.094 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695818 UMVAAYIKURDAPH-HHHXNRCGSA-N 527.024 6.202 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OC 1865696039 WMGDGUQNECKASU-VWLOTQADSA-N 528.996 5.827 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1 1865702420 VJOLYXLERDLYHW-HSZRJFAPSA-N 549.375 5.866 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1C 1865702446 AMCSLEOVMQDVPG-AREMUKBSSA-N 578.566 6.594 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C 1865703640 XRCYQKKIQNXICI-MUUNZHRXSA-N 575.496 7.246 50 10 KKGE CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)/C(C#N)=C/c1ccc(Br)cc1 1866129384 QKXXJCDPXGSZBM-LDADJPATSA-N 509.425 6.517 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)cc1 1866688680 JNQSSIVQIAFWQB-NSOVKSMOSA-N 506.631 5.347 50 10 KKGE CC(C)C[C@@H](CC(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(F)cc1 1867102399 HEDCSQBEHRUFLV-RBJSKKJNSA-N 549.737 6.976 50 10 KKGE COc1ccc(Cl)cc1-c1csc(/C(C#N)=C(\O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)n1 1872758965 YPFYXTXOXYAOAR-HFBCPUAESA-N 507.999 5.976 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCCc1ccccc1 1872782294 BNOOLDKGGWJUFX-ZTKZIYFRSA-N 514.650 8.171 50 10 KKGE CC(C)(C)OC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 1873497274 MREAZBSISNIUHH-OCSSWDANSA-N 503.002 6.630 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)C(=O)c1cccc(F)c1I 1915279635 GRDDVIKDRZOXFZ-KRWDZBQOSA-N 504.181 5.492 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cccc(Br)c1Cl 1925585441 ONTRIVNLMVCSRB-ZETCQYMHSA-N 514.291 7.718 50 10 KKGE Cc1cc(Br)sc1[C@H](Br)c1ccc(Br)cc1Br 1950209174 ZCDGLNWKKGXAPE-LLVKDONJSA-N 503.879 6.828 50 10 KKGE CCCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@H]1Br 2020189914 BTYNRCOXSJNAFC-MYINAIGISA-N 510.915 5.860 50 10 KKGE CC(C)(F)C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025784805 ZUFADTWQTIHIAN-SSDOTTSWSA-N 560.719 7.311 50 10 KKGE O=S(=O)(c1cc(CBr)sc1Br)N(Cc1ccccc1)CC1CCCC1 2059267404 OHPSILFBKDCEJJ-UHFFFAOYSA-N 507.313 5.787 50 10 KKGE Clc1cc([C@@H](Br)c2ccc(Br)cc2Br)ccc1Br 2083334312 MNNPEZBVFLKGKC-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)CCC2CCCC2)c1Br 2141468514 KRXSEUQXEOIDJC-VIFPVBQESA-N 582.794 8.143 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2cc3c(s2)CCC3)c1Br 2206398555 WICONGSUCMRFBO-AWEZNQCLSA-N 608.813 7.771 50 10 KKGE C[C@@H](Cl)c1nc2cc(Cl)c(Br)cc2n1C[C@H]1CC1(Br)Br 2233037808 DCRUHZZBGBORDT-RNFRBKRXSA-N 505.863 6.258 50 10 KKGE Cc1cc(Br)c([C@H](Cl)Cc2ccccc2I)c(C)c1Br 2235612474 OZJDQHQVLZYAMO-CYBMUJFWSA-N 528.453 6.956 50 10 KKGE CCc1nc([C@H](Br)c2ccc(OC)c(I)c2)c(Br)s1 2269536260 YIPQEVDFMBIADC-LLVKDONJSA-N 517.024 5.566 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)cc(Br)c2)cc1I 2269547488 USOUKDPJPUVDHD-AWEZNQCLSA-N 516.398 6.153 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2293031343 WQEGQXLZHRELRI-UHFFFAOYSA-N 514.821 7.500 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 2293198158 AVKGUZIRZNYDDY-QFIPXVFZSA-N 512.393 6.197 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198222 LBZSALQBEBERJV-QFIPXVFZSA-N 512.418 5.638 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccc(Cl)cc1Cl 2294619924 MSTUGPLUHDEFNK-UHFFFAOYSA-N 560.275 7.506 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CC[C@H](C)C2 2296500531 WDQNSGVFEHEUOF-AWEZNQCLSA-N 529.445 7.162 50 10 KKGE Cn1cnc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 2300297185 UXKVVFJCTNNAPV-RXMQYKEDSA-N 528.289 5.860 50 10 KKGE Clc1cc(Br)cc([C@@H](Br)c2sc(Cl)cc2I)c1 2300953966 QOQLOUAZQJTSJK-SNVBAGLBSA-N 526.846 6.906 50 10 KKGE C=CCOc1c(I)cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 2313518916 ZHYPWQPTODZXHH-UHFFFAOYSA-N 508.743 5.454 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc2ccccc2c1 2313567250 FGCSWLVFRYGTEH-UHFFFAOYSA-N 526.374 5.417 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccccc3F)c(I)c2)cc1 2313568600 VCVOPTPJUQEYMK-UHFFFAOYSA-N 638.218 6.468 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)S(=O)(=O)c1ccccc1 2314414589 FCOHUGNRFNLAOS-UHFFFAOYSA-N 535.600 6.596 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591677 AZVGXNGTIWKCMI-HSZRJFAPSA-N 554.455 6.076 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314592889 DEHYCCOZDUYAEA-HSZRJFAPSA-N 542.444 5.728 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 2314617455 YRRBBDLGJWKMHK-SANMLTNESA-N 645.785 5.795 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 2314643269 NLSMFVQUUHYMNN-UMSFTDKQSA-N 558.634 6.728 50 10 KKGE Cc1sc2ncn(CC(=O)C(C#N)=C3Nc4ccccc4S3)c(=O)c2c1-c1ccc(Br)cc1 2318370969 KIJRTLFSKNHXEJ-UHFFFAOYSA-N 535.448 5.718 50 10 KKGE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)C(C#N)=Cc1ccc(Br)cc1 2329663787 QAVWWKCLBNTTKA-UHFFFAOYSA-N 526.368 5.808 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C)c1-c1ccc(Br)cc1 2329663804 UKXNJWFHVRNDSY-UHFFFAOYSA-N 574.294 6.971 50 10 KKGE CCCOc1ccc(-c2csc(NC(=O)C(C#N)=Cc3ccc(OCCOC)cc3)c2C(=O)OCC)cc1 2331123670 DRLBMHJSSQHZGK-UHFFFAOYSA-N 534.634 5.951 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(Cl)s3)cs2)cc(Br)c1OC 2331402014 FKGADIYWNROTME-UHFFFAOYSA-N 509.834 6.811 50 10 KKGE Brc1cc(CC[C@H](Br)c2ccccc2Br)ccc1I 2349835347 JKDUKNRPIYNJET-ZDUSSCGKSA-N 558.877 6.885 50 10 KKGE Cc1cc(Cl)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Cl)c1 2353086880 MXACYFRCOAVCMR-OAQYLSRUSA-N 515.072 8.128 50 10 KKGE Clc1cc(Br)c(OCc2ccc(Cl)c(I)c2)c(CBr)c1 2362435994 LVUATXJXQFDXAE-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cccc(F)c1I 2365190733 HUBQUJDZMOHOHB-GFCCVEGCSA-N 536.379 6.731 50 10 KKGE CC(C)(C)c1ccc(CSC(SCc2ccc(C(C)(C)C)cc2)=C(C#N)C(=O)NCc2ccccc2)cc1 3058778 DYUAINNNUCDLHS-UHFFFAOYSA-N 542.814 8.500 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(C)c1Cl 13980177 DLCNWVGHWKEUHP-UHFFFAOYSA-N 508.018 5.347 50 10 KKGE C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(Oc2ccccc2)c1 38660878 JKGHVYCRAFJZLO-SONOPUAISA-N 522.532 6.209 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1C#N 59335626 XCYFIFOQLFOTAX-UUYOSTAYSA-N 516.395 6.153 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)cc1Br 100172575 WRDZOBFAQXJQPC-UHFFFAOYSA-N 578.301 6.164 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)cc(Br)c1OCc1ccccc1 100326020 RIOQCDYYDWZQPB-BRJLIKDPSA-N 534.204 5.269 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1cccc2ccccc12 100335742 WHWFCPLMRDNRSM-OEAKJJBVSA-N 574.418 6.886 50 10 KKGE N#C/C(=C\NNc1nc(-c2ccc(Cl)cc2Cl)c(Sc2ccc(Cl)cc2)s1)C(=O)C(F)(F)F 100405141 XPURCIBJXAXRQP-MDZDMXLPSA-N 549.814 7.377 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccs4)c(NC(=O)c4ccco4)s3)o2)cc1 100919888 UKPIFEAHGDIIFC-XDJHFCHBSA-N 541.610 7.218 50 10 KKGE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 101115806 LLCBCBMLFGZHBT-SSZFMOIBSA-N 521.360 5.656 50 10 KKGE CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 101336206 UQOKBZFJTXXVAM-UZWMFBFFSA-N 604.682 6.665 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101340668 BKPIZQWMWIQCPL-YDZHTSKRSA-N 516.956 5.859 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)ccc1OCCC(C)C 101368224 VDYQHQVKDPHBAV-LJAQVGFWSA-N 549.023 5.976 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC 101374638 BDTDTMDLXHMRDQ-KEEVHDRGSA-N 560.622 6.384 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 101374782 NRKIMCZNPBSDCK-SSEXGKCCSA-N 547.051 6.674 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)ccc1OCCC(C)C 101375115 QIOIRHCPQWOIPP-YTTGMZPUSA-N 556.659 6.330 50 10 KKGE Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 101381294 ARYHZYLOEUMROS-JGCGQSQUSA-N 601.486 7.392 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101385832 HSGVQJBMURQXBK-UUWRZZSWSA-N 625.121 7.428 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387325 ROHZJLPDJCMTGL-UMSFTDKQSA-N 594.639 6.739 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)c1OC 101392618 UAUXUHDBBQHQPJ-QFIPXVFZSA-N 527.360 5.457 50 10 KKGE CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 101613558 IKTNHAPCFGDDMC-JJNGWGCYSA-N 535.600 6.154 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc(C)c1Cl 101619988 MDTDRDSXTLTQQU-AWSUPERCSA-N 533.024 6.840 50 10 KKGE CCCOc1ccc([C@@H](C(=O)NC2CCC(C)CC2)N(Cc2ccc3c(c2)OCO3)C(=O)CCl)cc1OC 102779046 QOCDPKJHEHZTPW-CWYPTGNGSA-N 545.076 5.216 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 103789636 VCMNXOHUTYYFSD-FYJGNVAPSA-N 601.328 6.599 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 103795858 MFJRDAKGHFNTGM-IPBVOBEMSA-N 557.784 5.929 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1C#N 103878173 RVBQGMWBBBMQFD-HZQMBONKSA-N 580.688 7.404 50 10 KKGE O=C(c1ccc([N+](=O)[O-])cc1)[C@H](Br)[C@@H](c1ccccc1)C1(Br)C(=O)c2ccccc2C1=O 105419040 SMIBGHUXYYJKFL-WOJBJXKFSA-N 557.194 5.538 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 109380868 OWQLABZOIXJGHM-YVLHZVERSA-N 530.191 6.475 50 10 KKGE Cc1cc(OCC(=O)NC(=S)NNC(=O)COc2c(C)cc(Br)cc2Br)c(C(C)C)cc1Br 150389049 QNDYAAYXDHZIHF-UHFFFAOYSA-N 666.230 5.194 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150432989 UBNVFFGONIQZKS-MGBGTMOVSA-N 679.984 8.444 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433642 PFZRSASAHYFLOX-YTTGMZPUSA-N 631.512 7.807 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(C)cc1 150461122 YXTOTERTJDYPRC-JGCGQSQUSA-N 651.513 7.837 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1OCC 150485749 HRONLAACBNVHQW-REXWNJDRSA-N 649.810 6.941 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C2=O)cc1 150498112 OTXLRTNMMVJWTM-FMDHHVHLSA-N 661.784 5.761 50 10 KKGE CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1I 150619999 ZYEYGAPUTBVOMG-WZUFQYTHSA-N 623.572 5.402 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c1 161092154 JUIBUYINKWXJHX-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE CCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2OC)cc1OC 206395847 YJENEVKHQPNJLH-SVLFPQEESA-N 526.589 5.335 50 10 KKGE CCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2OC)cc1OC 207186705 MYMSZBZVXKTPGA-FGOWHMJFSA-N 548.636 5.047 50 10 KKGE CC[C@H](N/C=C(/C#N)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCCC2 216491860 DWSYXRBMTBKVEW-GRSMMZSBSA-N 518.705 5.947 50 10 KKGE Fc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1F 236169001 MQIPFUGSHQDIOJ-NSHDSACASA-N 501.934 6.011 50 10 KKGE Cc1cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)NC3CCCCC3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NNC(=O)NC3CCCCC3)c2c1O 254486632 JDZIFFXTUCMJPQ-UHFFFAOYSA-N 796.966 8.689 50 10 KKGE CC(=NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2csc3ccccc23)cc1 254490460 YFGVZBZAMNKVJT-UHFFFAOYSA-N 538.481 7.829 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12)c1ccc(OC(C)C)cc1 254616267 LDYXOMNZHHLYHP-UHFFFAOYSA-N 518.411 6.311 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](c3cn(C)c(=O)nc3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 642887216 ZDZLHJPETUXZJT-UOCHUVENSA-N 875.089 9.003 50 10 KKGE CC(=NNC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 725430212 SEJFFRJOEYLORI-AHPZMPFVSA-N 520.073 7.079 50 10 KKGE O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1 1081086810 OZYVFNLBJFKGDG-UHFFFAOYSA-N 515.407 6.371 50 10 KKGE CO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083817538 MHNHIGWCUNOEFZ-IJLINHMISA-N 578.822 7.136 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1O 1083894312 QYJFXFUKMNYIGV-UHFFFAOYSA-N 504.384 5.693 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC(=O)OCC 1083903932 ZCBQSRNSUNABOU-UHFFFAOYSA-N 600.513 6.650 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 1083911728 QRIMMLZTEPSYKZ-UHFFFAOYSA-N 569.253 5.395 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084001905 KZCHURVTXLCGDG-UHFFFAOYSA-N 520.618 5.151 50 10 KKGE Cc1nn(-c2ccccc2)c(N(C2CCCCC2)C2CCCCC2)c1C=NNC(=O)CCCSc1nnc(N)s1 1084278531 FNWYQVVYNUDWQR-UHFFFAOYSA-N 580.828 6.109 50 10 KKGE CCOc1c(Br)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 1084387237 PTQBENXUHPZSPT-UHFFFAOYSA-N 532.438 6.386 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 1084559273 DFFZQGOFFKMRKC-SFQUDFHCSA-N 502.195 6.881 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743871 KNLXSEXXUNYAFN-OAHLLOKOSA-N 506.400 5.412 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750241 YAIRYHKHIYVLEO-UHFFFAOYSA-N 578.452 7.175 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NN=Cc1ccccc1OCc1ccccc1 1772754267 ROKKIWDQAVQJQX-UHFFFAOYSA-N 515.407 6.224 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 1865683656 HEYONYMLMRWKBH-FQEVSTJZSA-N 518.242 6.171 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689813 XBLQXPRTKLMTDZ-LJQANCHMSA-N 515.795 5.173 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(F)cc2)cc1OCC 1865691047 HWERXXOFHCJSAS-SANMLTNESA-N 504.606 5.819 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cc(C)ccc2C)cc1OCC 1865691695 ZBWXHMCJIAVWQG-NDEPHWFRSA-N 514.670 6.297 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)c1 1865691862 CRRFTOBIWVIVDI-HHHXNRCGSA-N 500.558 5.928 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696380 FHGNJFDWZHEUKM-PMERELPUSA-N 552.650 6.261 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700844 FWVOGGSTYGOYCP-DEOSSOPVSA-N 563.441 6.149 50 10 KKGE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865700960 IHRKZGPYKXTRIZ-KRWDZBQOSA-N 536.611 5.283 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703674 YSDXGYZSCPGWSS-MUUNZHRXSA-N 561.469 6.992 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccccc1C(=O)O 1865704465 WLDXSYPVTANQBK-OAQYLSRUSA-N 513.351 5.218 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711782 HWUVEWFZIBTOJV-HSZRJFAPSA-N 520.486 5.886 50 10 KKGE Cc1ccc(/C(=C/C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C2CC2)cc1C 1866691861 BTCAEUHDJKMXQK-TWIDMGDKSA-N 541.742 6.727 50 10 KKGE CC1(C)COC[C@@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868365696 UCAAMWVQLCBGAF-RUZDIDTESA-N 507.663 6.687 50 10 KKGE COc1ccc(C(=O)C2CCN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CC2)cc1C 1868566189 VYWNHGOPCFXLTQ-UHFFFAOYSA-N 536.661 6.272 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c1 1872750163 ZODAUPSEDADFCH-RFBIWTDZSA-N 505.599 6.216 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)CC1=O 1872758589 HUMGCQFYXISUOL-ZYNBKEAPSA-N 509.971 5.104 50 10 KKGE C[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1914654399 GMSQANNAIMBFCV-LBPRGKRZSA-N 537.033 5.480 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CC[C@H]2CCCC[C@H]2C1 1924601235 KAXUMFNWNWCYHB-COMAGPEQSA-N 505.541 7.922 50 10 KKGE CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616786 STXZJKGBIUSAHJ-MFDQJXRNSA-N 535.965 7.544 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cn(C)nc2Br)c1Br 2005277154 CBOYOJDJOGFDIB-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2nn(C)c(Br)c2C)c1Br 2049256945 YENJRFXPJLNOKA-SSDOTTSWSA-N 521.898 5.870 50 10 KKGE CC(C)C[C@H](C)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495488 QVAJXALNCNMRTC-CPFSXVBKSA-N 526.332 7.699 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cccc(F)c2I)c1Br 2138860501 BJXLMTQZQJDGKL-ZDUSSCGKSA-N 562.840 6.748 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@]23CCOC[C@@H]2C3)c1Br 2141475948 UMUJCRYNQLRUED-SQPCXJJOSA-N 582.750 6.599 50 10 KKGE C[C@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C(C)(C)C 2141478639 YOWYQXNRBBSCCJ-GMSGAONNSA-N 540.359 8.089 50 10 KKGE O=C(N[C@@H]1CCCC[C@H]1CCBr)c1ccc(I)c(Br)c1 2146724788 KWKQMFXSCMAFDT-IINYFYTJSA-N 515.027 5.127 50 10 KKGE CN(C(=O)c1ccc(I)c(Br)c1)C1(CBr)CCCCC1 2170167031 SNYIEHAZJZMMRC-UHFFFAOYSA-N 515.027 5.224 50 10 KKGE Clc1ccc(Br)c(COc2c(CBr)ccc(Br)c2Cl)c1 2200740354 GNDIFVJWOWYOIE-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Cl[C@@H](c1ccc(I)c(Br)c1)c1c(Br)c(Br)cc(Br)c1Br 2206396419 WLYULBUQDDJPEQ-ZDUSSCGKSA-N 723.060 8.432 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2sc(Cl)cc2Br)c1 2217420712 INNUUROKTZTGLW-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Fc1cc(Br)cc2c1nc(CCCl)n2CCCN(Cc1ccccc1)Cc1ccccc1 2217924857 YIGAKKRLLGAZKH-UHFFFAOYSA-N 514.870 6.812 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Br)c(C)c1Cl 2232511787 RCTNCBFTLZAJFV-AWEZNQCLSA-N 546.322 7.729 50 10 KKGE Brc1cccc([C@H](CI)OC2CCN(Cc3ccccc3)CC2)c1 2250364808 FGBZJHNMJSIFSP-FQEVSTJZSA-N 500.218 5.606 50 10 KKGE Cc1cc(Cl)c(Cl)cc1[C@@H](Br)c1cc(Br)ccc1I 2264369650 YPDHTNOGNJFBQD-CQSZACIVSA-N 534.844 7.153 50 10 KKGE COc1cc(Cl)c(Cl)cc1[C@@H](Br)c1csc(Br)c1Br 2264372892 GOGNDPZPRNZKDX-SNVBAGLBSA-N 509.872 7.073 50 10 KKGE COCC1([C@@H](Cl)c2c(Br)sc(Br)c2Br)CC(F)(F)C1 2278203750 DSQKUCUDKWFNGS-ZETCQYMHSA-N 503.428 6.377 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198355 ZJOLYYLRFOXWMF-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2299489825 SRYVGXHYIQTCDF-QGZVFWFLSA-N 551.525 7.990 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)cc1 2313568263 QTVQVVXUUIWKIN-UHFFFAOYSA-N 689.118 7.636 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)cc1 2313571212 PYEJUPAXXLNKJK-UHFFFAOYSA-N 576.705 8.262 50 10 KKGE CCOCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314617961 DTDGBRWAVYHAEJ-UHFFFAOYSA-N 552.675 5.983 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1C 2314618740 SQPWKKFELLSDGT-SANMLTNESA-N 536.632 5.408 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC[C@@H](C)C4)c3)C(C)=C(C#N)C2=O)cc1 2314619737 DMCMQMGEAUABRR-AREMUKBSSA-N 675.811 5.803 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(OC)c3)C(C)=C(C#N)C2=O)cc1 2314620552 QKNBKOAXWDVDCO-UHFFFAOYSA-N 544.611 5.391 50 10 KKGE CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634877 YSGUHVGKKFJPDV-AREMUKBSSA-N 507.373 6.229 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 2314646658 IEVZKGQYNXLAKZ-YTTGMZPUSA-N 684.749 6.174 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646662 ILSLPQYXJCCJFI-SSEXGKCCSA-N 610.695 5.609 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Br)cc2)sc(C)c1-c1ccc(Cl)cc1 2329663812 VOUKACMEYBCGEA-UHFFFAOYSA-N 529.843 6.862 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccc(Cl)cc1 2331343854 YUHMROBJYRPIJR-UHFFFAOYSA-N 518.997 7.696 50 10 KKGE Cn1cc(Br)c([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)n1 2337082903 RJGRLNMELXHISJ-SECBINFHSA-N 540.250 5.984 50 10 KKGE CC1(C)CC[C@@H](Cc2ccc(I)c(Br)c2)[C@H](Br)CC1 2349812217 WOYMURLGBBADGZ-QWHCGFSZSA-N 500.056 6.576 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1cccc(I)c1)CCCO2 2369640443 OVHLJYZRDNNPBK-INIZCTEOSA-N 507.991 5.863 50 10 KKGE BrC[C@H]1C[C@@H]2C[C@H](C1)CN(Cc1ccc(I)c(Br)c1)C2 2377326094 ZJBIIQFJSMASMS-BTTYYORXSA-N 513.055 5.297 50 10 KKGE N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1767624 LUBJQOQOXUJQOI-ATVHPVEESA-N 535.379 6.210 50 10 KKGE O=C(/C=C/c1cccc2ccccc12)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12503503 SHCIXLFYIFDMGP-JLHYYAGUSA-N 502.423 5.041 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 38680050 ZFCCDKROLMXCJG-XMMPIXPASA-N 509.389 6.610 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc(Cl)c3)c(C)c2cc1Cl 38687714 YANJOUBNNRJVDO-DEOSSOPVSA-N 505.357 6.794 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(Cl)cccc2Cl)cc1Cl 38700580 PFULMSKXNRUNJN-OAQYLSRUSA-N 501.753 6.093 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)oc2ccc(Cl)cc12 38700598 HIPGVEGRDDHPHT-JOCHJYFZSA-N 509.320 6.625 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1 38700930 OGVFIXONZIKDGL-VWLOTQADSA-N 508.530 5.582 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCCc2ccccc2)cc1 40924914 LQJBVSXMKGPREQ-LQKURTRISA-N 508.068 6.327 50 10 KKGE CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 40949002 GXWVTLZRVRIFEF-XSFVSMFZSA-N 520.607 5.943 50 10 KKGE CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC 40950831 ZMYSMUFRKXDDAA-JVWAILMASA-N 505.453 5.853 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(F)cc3Cl)c2)s1 58978659 KLVSMADTALWPFL-VCHYOVAHSA-N 512.990 6.404 50 10 KKGE N#C/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1I 96401938 VDNIAFRUXHMNPT-PDGQHHTCSA-N 514.750 6.069 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1C#N 100232002 ULRKVBZFPBUFNP-GMOKZYNCSA-N 536.426 5.262 50 10 KKGE CCCCOc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100869294 SILFXFYICLIULW-RYGJVYDSSA-N 552.145 6.490 50 10 KKGE O=C(CCN1C(=O)/C(=C/c2ccccc2OC2CCCCC2)SC1=S)Nc1nnc(CCCl)s1 101035794 JIEYIZNWYDQSBC-JXAWBTAJSA-N 537.132 5.261 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244860 BMIVVUZRZGSYCR-NLTRVXJZSA-N 522.457 6.675 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 101340519 GRAVRJLMOYVSDW-IPPBACCNSA-N 546.646 6.272 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)c(OC)c1 101365692 HIGQUPDZXQORDJ-FRJOFTSTSA-N 523.372 5.848 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCCC(C)C)c(OCC)c1 101375183 WDEFOWXZLCWQPO-YTTGMZPUSA-N 570.686 7.126 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(C)c5C)ccc43)cc2)cc1 101378827 MEMNFPILEMFMBC-XIFFEERXSA-N 546.623 6.393 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387035 PLJHSBQWZCMRAB-WJOKGBTCSA-N 570.548 5.755 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 101388743 SUNHZVYLDSGYEX-UUWRZZSWSA-N 625.121 7.934 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)c1 101390344 OEQIVSAWZQTJHT-OAQYLSRUSA-N 557.842 7.307 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Cl)oc2cc(Br)ccc12 101391079 QYVGAUBODNOQON-HSZRJFAPSA-N 535.781 6.595 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1OCC 101394159 ZHJJDRICVHZOCI-VWLOTQADSA-N 547.032 6.789 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 101610969 CSTIPSHOJVYWFI-TWKHWXDSSA-N 532.394 5.517 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccccc1Cl 103789650 DYPBBNOKLGTHNJ-PXLXIMEGSA-N 613.883 5.788 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2s1)c1ccc(Br)cc1)c1cccc(Cl)c1 105566939 BNCWQCODUQZOOO-XHPQRKPJSA-N 516.873 6.639 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccc(C(C)(C)C)cc1 150478780 USCAJCGNESYMJF-ROPCREHHSA-N 659.071 8.354 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)oc2cc(Br)ccc12 150483096 BUSBNRHFPFNVJG-PMERELPUSA-N 625.450 7.659 50 10 KKGE O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1 163800755 ANUNNPJVCUIPAO-RPPGKUMJSA-N 620.197 6.051 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 170069511 ZGOBOELGRBUBPZ-QPWMFTQFSA-N 584.789 6.223 50 10 KKGE C[Si](C)(C)Oc1ccc([C@H](Nc2ccc(F)cc2)[C@H](CC[C@H](O[Si](C)(C)C)c2ccc(F)cc2)C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 199437967 XXMINDVVBVJXLN-BQYLNSIHSA-N 716.974 10.041 50 10 KKGE N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C[C@H](CCc3ccccc3)CC=C12 229998059 SRQCPSKVQAEBDF-OSKSLMEKSA-N 524.422 5.008 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc(OC)c1O 252608089 HGCVEZWNCUNCPM-UHFFFAOYSA-N 506.356 5.151 50 10 KKGE COc1ccccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccc(Cl)cc2Cl)n1-c1ccccc1 252621577 NBWUGBQAOIBIDW-KRWDZBQOSA-N 555.491 5.826 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)[C@H](C)Sc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)cc1 252622349 NTJDNNROEFCLEK-DEOSSOPVSA-N 577.758 6.510 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)CSc3nnc(C)n3-c3ccccc3)cc2OC)cc1 254482822 FGOBDDOOWFJFJD-UHFFFAOYSA-N 573.675 5.225 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 254677611 KVTMKVVUUQYVEQ-UHFFFAOYSA-N 599.728 6.612 50 10 KKGE CCCCOc1ccccc1C=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 254740229 OVCUFJDBEOKBTJ-UHFFFAOYSA-N 507.656 5.335 50 10 KKGE COc1cc(-c2nnc(SCC(=O)NN=Cc3cccc(OCc4ccccc4)c3)n2-c2ccccc2)cc(OC)c1OC 254760938 FCLUBKZREPSQSH-UHFFFAOYSA-N 609.708 5.782 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 254834734 IKXHYDHRTGZPMT-UHFFFAOYSA-N 645.529 6.376 50 10 KKGE Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3cc(Br)cc(Br)c3O)c2)cc1 254913794 XJUKZBLNHUXRFV-UHFFFAOYSA-N 531.204 5.242 50 10 KKGE CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](Cl)[C@]45O[C@@H]4[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]5(C)[C@@H]3CC[C@@]21C)C(C)C 256101422 HAAIKLIMLBUYHH-LFIKXAPDSA-N 627.303 5.278 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](SC)O[C@@H]([C@H](NC(=O)[C@@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 575232436 QYWAENWZQGVWKH-GZWLDEFJSA-N 691.460 7.202 50 10 KKGE in-vitro CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1 616586810 HODUUTHQNQITGS-OUJYUAALSA-N 779.062 9.261 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590484 SAHJWPXTHJECLJ-HBEMUUHUSA-N 755.034 6.751 50 10 KKGE c1ccc(P(c2ccccc2)c2cccc3c2-c2c(cccc2P(c2ccccc2)c2ccccc2)OCCCCCCCCO3)cc1 642813766 UOVQTBRBNONBGN-UHFFFAOYSA-N 664.766 8.982 50 10 KKGE COc1ccc(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 721613365 LIYJUTVYDKPTKD-CQSZACIVSA-N 560.849 6.309 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3ccccc3Br)c2C)S(=O)(=O)c2ccccc2)c1 725412797 LBBZVDVAKHKYGS-UHFFFAOYSA-N 593.547 5.819 50 10 KKGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1 725424620 VDNMSQSXBGQYHZ-RUZDIDTESA-N 677.621 5.089 50 10 KKGE CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OP(c2ccccc2)c2ccccc2)[C@@H]1OP(c1ccccc1)c1ccccc1 1073242230 VDNNRBDPKKKMFA-SKIMDNIISA-N 650.648 6.338 50 10 KKGE CC(C)[Si](OC[C@@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(C(C)C)C(C)C 1083817527 LAVSLNMQPNHPSL-IVBRNKFMSA-N 697.001 9.876 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 1083817652 WUUPISRMPWBNRI-WWFQFRPWSA-N 744.913 6.611 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 1084174461 MJHROXDFJIYFQO-MUUNZHRXSA-N 561.476 6.544 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(Cl)cc1Cl 1084275454 HTVOKBXFHPCIGP-FYJGNVAPSA-N 601.328 6.599 50 10 KKGE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NN=Cc1c2ccccc2cc2ccccc12 1084517153 UZLZMNMBQFZSIL-UHFFFAOYSA-N 514.614 5.878 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3F)c(OCC)c2)cc1 1084539303 IQHMHQRBVDLOIZ-VWLOTQADSA-N 620.459 5.771 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1084568144 DCWRNCFMTRCCQD-UHFFFAOYSA-N 604.729 5.082 50 10 KKGE COc1cc(C=NNC(=O)c2cccc(Br)c2)cc(Br)c1OCc1ccccc1F 1084604712 UZJJZWHOMHDAPJ-UHFFFAOYSA-N 536.195 5.702 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)C(=NNC(=O)c3ccc(Br)cc3)CCC4)c2n1 1772743707 JRSXREADJCNQGU-UHFFFAOYSA-N 532.394 5.897 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2ccc(O)cc2O)C(C#N)=C(N)O3)cc1 1865681540 PZXWTUNDIQZICF-AREMUKBSSA-N 502.530 5.330 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(C)cc2)cc(Br)c1O 1865688753 ZYDOKXIQHYDMIL-XMMPIXPASA-N 573.447 5.941 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OC 1865696438 MSVSIJXTCJMXIE-DEOSSOPVSA-N 540.586 6.363 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)ccc1OCCCc1ccccc1 1865697574 XAOYYRGTKFPHKD-PMERELPUSA-N 555.638 6.173 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 1865703006 KNFCIPPIQVOOCO-MUUNZHRXSA-N 575.496 7.246 50 10 KKGE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704501 XIHKQHDPQQMJST-VWLOTQADSA-N 517.416 6.539 50 10 KKGE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1865704881 GWWFVKHLWFKXBS-VWLOTQADSA-N 575.452 6.713 50 10 KKGE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865704978 JIRZUMYXAAWLCZ-RUZDIDTESA-N 576.440 5.973 50 10 KKGE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865711533 AUCVJZMJDWHLFE-SSEXGKCCSA-N 520.633 6.224 50 10 KKGE CC(C)(C)c1cc(Br)c(OCCCC(=O)NCCCBr)c(Br)c1 1865937868 DTAONUAXLJRXQU-UHFFFAOYSA-N 514.096 5.569 50 10 KKGE CCCC[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866568077 ZPCREUMRNRJXON-QFIPXVFZSA-N 546.743 6.968 50 10 KKGE CCCC[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1ccc(SC#N)cc1 1867081706 QIBMKUPSCDHLJS-HSZRJFAPSA-N 525.675 5.096 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1 1867181954 KKOZGVIZRLZCDO-NDEPHWFRSA-N 554.672 5.961 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867189964 DKRZVRJYFDXUAK-HSZRJFAPSA-N 538.677 5.457 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868301687 UXYBHCYCRGHVDO-AREMUKBSSA-N 510.642 6.401 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C(=O)C4CCCCC4)CC3)n2)cc1 1868545496 XZINLZFDPVEAPG-UHFFFAOYSA-N 554.764 6.987 50 10 KKGE N#C/C(=C(/O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872744717 FNRSDRWJHNGSOU-VKAVYKQESA-N 509.258 8.104 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(Br)cc3)n2)cc1 1872753159 JVUDMNOSAMNXDX-BZZOAKBMSA-N 511.485 7.957 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Br 1923067108 YOZBEGKKFSMUAR-SECBINFHSA-N 538.324 7.482 50 10 KKGE FC(F)(C1CC1)[C@H](Br)c1c(Br)sc(Br)c1Br 1924568712 KNBQXUVSVYGFFP-ZCFIWIBFSA-N 503.826 6.517 50 10 KKGE Clc1cc(Cl)cc([C@H](Br)c2c(Br)sc(Br)c2Br)c1 1924593981 JIFCWZSUJLWRCI-QMMMGPOBSA-N 558.742 7.827 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924595441 YZXWRUJODXQNQB-SECBINFHSA-N 582.775 7.591 50 10 KKGE CS(=O)(=O)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025783574 VGJIYLKIDLLRFY-LURJTMIESA-N 534.289 5.061 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cnn(C)c2Br)c1Br 2083316855 AFNNSEUBCDKPQE-LLVKDONJSA-N 501.842 5.500 50 10 KKGE Cc1occc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085495672 RUVZIMZWNMEELO-JTQLQIEISA-N 566.707 7.122 50 10 KKGE Cc1c(Br)ccc([C@H](Br)Cc2ccccc2I)c1Br 2138865020 PVYKPANBVRIWIE-CYBMUJFWSA-N 558.877 6.803 50 10 KKGE FC1(F)CCC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477608 SGJGVZBLWOLHCH-DYEAUMGKSA-N 546.269 7.452 50 10 KKGE COc1cc(Br)c(C)cc1[C@@H](Br)c1cccc(C)c1I 2145955038 FONVIFITTABUKM-HNNXBMFYSA-N 510.007 6.163 50 10 KKGE COc1ccc([C@H](Cl)c2csc(Br)c2Br)c(OC)c1Br 2150345100 ZZXCNRSHSIEDEB-NSHDSACASA-N 505.453 6.381 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CC3(CCOC3)C2)c1Br 2206401036 UXNZHGGZKUARAJ-XXCWSLKQSA-N 596.777 6.989 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@@H]23)c1Br 2206401325 IPHQIGDYRDXDSB-DCBYBZGNSA-N 592.789 7.465 50 10 KKGE Cc1ccc([C@@H](Cl)c2ccc(Br)cc2Br)cc1I 2217865847 ZXVSRMIRDFDZJB-CQSZACIVSA-N 500.399 6.453 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)cc1I 2224626240 IFWMAYJDQHEKQC-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE C[C@@H](CCOCc1ccccc1)n1c(CCCl)nc2cc(Br)c(Br)cc21 2225695046 CAWOVWGFXVDRCJ-AWEZNQCLSA-N 500.662 6.511 50 10 KKGE COC12CCC([C@H](Br)c3c(Br)sc(Br)c3Br)(CC1)C2 2231593552 FHAYHVYQZLYNSC-UHEGKEBESA-N 537.937 6.821 50 10 KKGE CCOCc1cc(Br)c([C@H](Cl)c2c(Br)cccc2Br)s1 2233020472 RRBOMGNGGGATRZ-CYBMUJFWSA-N 503.481 6.900 50 10 KKGE Fc1ccc([C@H](Br)c2ccc3c(c2Br)CCO3)c(I)c1 2238083535 ZETSHSGNSMXDIT-AWEZNQCLSA-N 511.954 5.612 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2F)c(Br)c1Cl 2283546927 KSLPJAPXCDVYAB-GFCCVEGCSA-N 534.388 6.339 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2Br)c(Br)c1Cl 2283562491 KPJXGXBCRLJXMM-LBPRGKRZSA-N 548.294 7.120 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2OC)cc1I 2284999279 OXCXOTWOLMXRKW-HNNXBMFYSA-N 511.979 5.555 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N2c2ccc(Cl)cc2)cc1 2293198244 MPQWZCXUBLIVRW-QHCPKHFHSA-N 542.875 7.020 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccccc1Cl 2313521394 KXHIFVGNWWLKMC-UHFFFAOYSA-N 558.803 5.756 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)cc1 2313568384 RSABQOBGTPPLHW-UHFFFAOYSA-N 544.218 6.784 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 2313568584 UXPNYLVOPDIYGY-UHFFFAOYSA-N 570.237 6.343 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)cc1 2313568677 VVEZOMDWIKWUPR-UHFFFAOYSA-N 539.329 5.633 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(I)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313571485 XJAKEDKBRZTKRA-UHFFFAOYSA-N 628.091 7.485 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 2313630355 HFCXYAXBVSKORR-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE Clc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314500341 MOUAHEZGJZZENS-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314609974 BERUSTBVJKATLJ-UHFFFAOYSA-N 606.726 8.054 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1Cl 2314610946 OPNQYAXGJKHJDU-UHFFFAOYSA-N 535.003 5.994 50 10 KKGE CC1=C(C#N)C(=O)N(C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314617641 MROXIXSBZCZENM-UHFFFAOYSA-N 518.548 5.479 50 10 KKGE Cc1cccc(C)c1N1C(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(Br)cc3)cc2C1=O 2329662008 SKYHGLFKJUBQLP-UHFFFAOYSA-N 500.352 5.412 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123517 JRPZJBLICLSZMW-UHFFFAOYSA-N 530.646 6.041 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C(=Cc3ccc(OC)c(OC)c3)c3ccccc3)n2)cc1C 2331259241 GDARWDTXMYGDAO-UHFFFAOYSA-N 510.615 7.178 50 10 KKGE N#CC(=C(O)CN1C(=O)COc2ccc(Cl)cc21)c1nc(-c2ccc(Br)cc2)cs1 2331260066 IYZSULOEWXDRIO-UHFFFAOYSA-N 502.777 5.444 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1OC 2331418015 ADPZLTPAUYXOCR-UHFFFAOYSA-N 503.668 6.473 50 10 KKGE CC(C)(C)[C@@](C)(CBr)COc1c(Br)cc(Br)cc1Br 2352110469 NUNBQPSRITWLFY-AWEZNQCLSA-N 521.913 6.800 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1cc(Cl)c(C)cc1Br 2363261670 VDOYHTZCTCBANJ-HNNXBMFYSA-N 501.509 7.672 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1ccc(Cl)c(Br)c1 2365222769 GWFSFISORVDKML-ZDUSSCGKSA-N 505.834 7.403 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2ccc(Cl)cc2I)c1 2366879152 XLMOMEUWRGFGDM-CQSZACIVSA-N 504.420 7.320 50 10 KKGE N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]1c1ccc(-c2ccccc2Cl)o1 1454240 SXQSZXDOGTXURA-NJYVYQBISA-N 540.826 5.445 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cc(OC)ccc2OC)cc1 38659830 GKAKLRYUUCWHIS-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 38688350 YJKJMPBWLQRHFT-QFIPXVFZSA-N 501.753 6.093 50 10 KKGE CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38700670 YPEJVJNJJJXQQI-JOCHJYFZSA-N 505.020 6.714 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813561 ROPIQUKUFHQIEG-DFKUXCBWSA-N 506.389 6.771 50 10 KKGE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCl)COC(=O)CCCCCCC/C=C\CCCCCCCC 72400250 YDEVHEQAUHEJSR-VGCWMEDESA-N 635.414 12.307 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CC[C@@H](C)C2 97442227 RSIVSABVZOHYEN-WIZMWCRPSA-N 505.552 5.763 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1 100141889 XUHDLAKIRDVGQC-UHFFFAOYSA-N 550.519 5.246 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100190990 BKWCBWSJBXEAMT-QGZVFWFLSA-N 558.498 5.130 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 100227101 ZUNPJVAKFYHONL-RLKJGOPYSA-N 541.475 6.664 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 100238177 HGFONUMGKBDBER-VGBOAXCZSA-N 547.608 5.274 50 10 KKGE CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 100251165 CVKPDWCXBGDNEC-CQSZACIVSA-N 550.247 5.382 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921888 GUGJYXJXBHFPEV-AFAVFJNCSA-N 528.510 6.273 50 10 KKGE Cc1cc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c([N+](=O)[O-])cc1C 100935503 DXSVGKCSFQDDCM-DOPJRALCSA-N 553.089 5.836 50 10 KKGE COc1ccccc1C(=O)Oc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 101268665 SJEZNZAOUSNTQK-UMSFTDKQSA-N 582.620 5.069 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101286665 YFPPCTYNKLMZEB-NJZRLIGZSA-N 554.650 6.248 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1Br 101336589 GPIFHYDBTXOWCX-YDZHTSKRSA-N 569.415 5.696 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c1 101336712 OGUBYLSTLYQMDP-MTDXEUNCSA-N 532.600 6.104 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339212 MXFWYRUMBMQWSO-DFKUXCBWSA-N 616.718 6.570 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1 101367387 QNFUVFNUUVPEHD-YTTGMZPUSA-N 548.595 5.785 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCCC(C)C 101368256 ZLMUZNKBJKJVLK-SSEXGKCCSA-N 544.604 5.331 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3cc(Cl)c(OCC)c(Cl)c3)ccc21 101371891 VDFYFDXYQYAXOZ-RUZDIDTESA-N 539.415 6.618 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 101372400 MUDMGCYHGULWTO-XMMPIXPASA-N 618.555 6.552 50 10 KKGE COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379760 AWUOZOFAMDSQPI-HKBQPEDESA-N 569.013 6.130 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 101380223 UFYUHUURFBXFAP-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385751 OQVYBAZSZLJTAK-MGBGTMOVSA-N 611.094 7.544 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(F)cc1 101389451 OFVMASNCUYFPOL-YTTGMZPUSA-N 626.637 6.267 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101396762 BWFXLULIISLGRJ-AREMUKBSSA-N 545.060 7.479 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(OCc4ccc(Cl)cc4)c3)oc2c1C 101398565 PFWNOPPRTJIUAQ-WJOKGBTCSA-N 591.063 8.028 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)CC1 101399097 RSAHHPVREKYGBH-AFILTOKLSA-N 580.725 7.703 50 10 KKGE N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 102665839 MLQBXZUHDUMLCQ-UDXHRHDRSA-N 528.848 6.712 50 10 KKGE N#C/C(C(=O)Nc1ccccc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103741685 IBOJOJXKNCSZBK-IQQNDYETSA-N 538.854 6.167 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103877297 PWOKDOTZPWWWIN-MZJWZYIUSA-N 538.354 5.845 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1Cl 103884335 QIIKJYPVWFTCRW-XIEYBQDHSA-N 532.471 6.557 50 10 KKGE CN(C)[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)[C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1 106804766 NUVSXUWSDGIMHI-VRQIXWKPSA-N 571.685 7.349 50 10 KKGE O=C(c1ccc(Br)s1)N(/N=C/c1ccc([N+](=O)[O-])s1)c1nc2ccc(F)cc2s1 139092322 NWVJBOYZIJDRTC-DNTJNYDQSA-N 511.379 5.910 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@@](C(Br)Br)([C@H]4Br)C5(C)C)c3)CC[C@@]1(C(Br)Br)[C@@H]2Br 150400732 IXUUMEXFTFGSQP-QFSJPRKCSA-N 881.962 8.935 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 150420064 BPWGTVRBBRVLOB-UHFFFAOYSA-N 704.439 5.463 50 10 KKGE C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)NCCNC(=O)CCc1ccc(N=[N+]=[N-])c(I)c1 195759747 YYDIMLLAANCLAT-XWBVRHLSSA-N 825.576 8.211 50 10 KKGE CC(C)c1nc(NS(C)(=O)=O)nc(-c2ccc(F)cc2)c1CP(=O)(c1ccccc1)c1ccccc1 201289257 AEJRFTIDKOGSEN-UHFFFAOYSA-N 523.570 5.292 50 10 KKGE in-vitro CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCCC)c(F)c2)C1=O 214241828 ULAQYFKTZRSRMB-DIBXZPPDSA-N 554.666 7.030 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1 214400740 HUSKOKIBTFHUBN-XRURVCPUSA-N 570.649 5.706 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4ccccc4)S(=O)(=O)c4ccc(OC)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 252590902 AXCDWNRASRWCQJ-QCNZEISBSA-N 664.784 6.044 50 10 KKGE C[C@H](CCCOS(=O)(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CCC2(C[C@@H]1C[C@H]3O[Si](C)(C)C(C)(C)C)OCCO2 253610065 IABXCHJHDYUDHX-JEQOCKOZSA-N 630.961 6.595 50 10 KKGE in-vitro COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccccc2OC(=O)c2ccc(OC)cc2)cc1 254429807 JHZLWJWUMACKDP-UHFFFAOYSA-N 692.769 6.473 50 10 KKGE Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3cccc(Oc4ccccc4)c3)s2)cc1 254630757 MGPRHUWQHQGLAJ-UHFFFAOYSA-N 506.678 6.174 50 10 KKGE O=C(NN=Cc1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 254795810 YWFDJIOUPNJEGQ-UHFFFAOYSA-N 560.595 5.614 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCc1ccccc1 256028329 FTOCWUVTRXESFE-UHFFFAOYSA-N 569.506 5.798 50 10 KKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(I)ccc1Br 312893916 WWEGFQCMZJZMMQ-CMPLNLGQSA-N 515.027 5.222 50 10 KKGE ClCc1ccc(Oc2c(I)cc(Cl)cc2I)c(Cl)c1 382081560 IZAICZQQTLWMGB-UHFFFAOYSA-N 539.365 6.734 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2nscc2Br)cc1Br 404763432 KLPWEVDXHHESQA-SNVBAGLBSA-N 504.867 6.223 50 10 KKGE CC(C)(C)[Si](OC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 616591243 XIJUVZWMRLQMRZ-BVZQGOGWSA-N 834.994 7.822 50 10 KKGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)c1 1083881393 VJZAZWRNRVRGOX-UHFFFAOYSA-N 615.495 5.075 50 10 KKGE C=CCn1c(CNc2ccccc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 1083943502 WWBCQUZYYWHYQG-LJAQVGFWSA-N 679.939 7.673 50 10 KKGE COc1cc(C(C)=NNC(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)ccc1OCc1ccc(Cl)cc1 1083956733 FZFKDFVQZSOBBY-UHFFFAOYSA-N 592.479 6.753 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084011326 ZGOPGDVVDSDIGP-UHFFFAOYSA-N 645.565 5.772 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 1084026619 JCHMWQHTSOXMLH-XMMPIXPASA-N 529.406 5.530 50 10 KKGE Cc1ccc(COc2c(Br)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Br)cc1 1084032849 GPZSCIBRVLJKDA-UHFFFAOYSA-N 657.406 8.629 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084096955 XLVCVYNJOWCZCD-UHFFFAOYSA-N 594.542 8.831 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc2ccccc12 1084147016 AUGSOCGGMHCWHK-HKBQPEDESA-N 552.671 6.519 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccccc3)cc2Br)cc1 1084464234 KWEOHYKCYYIFTE-XMMPIXPASA-N 541.442 5.399 50 10 KKGE Cc1ccc(C)c(-n2c(C)c(Br)c(C=NNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1 1084475032 QSYJTJGJMXSHEK-GOSISDBHSA-N 518.908 6.758 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1I 1084564731 NVQVJCXPSJTRLQ-UHFFFAOYSA-N 699.612 8.251 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Br)cc1 1084644474 YTYNZKILYYQUNI-WQRHYEAKSA-N 556.800 6.534 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 1865682125 GLSGDIMDRBEGQY-SANMLTNESA-N 504.977 6.573 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 1865685297 HUYFATJOAFBHCZ-JOCHJYFZSA-N 507.808 6.777 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865685943 PISANMXSHDGGPU-QFIPXVFZSA-N 504.924 5.757 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(OCc2ccccc2)cc1 1865689464 ABBLFKVWSNLWON-GDLZYMKVSA-N 563.032 7.188 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2cc(Br)cc(OC)c2O)cc1 1865695853 IKSUPCGRDMLXPT-QFIPXVFZSA-N 545.393 5.243 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OC 1865696567 HUOPTTYABSOBPH-SFHVURJKSA-N 567.337 5.477 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865697103 XEVIAHBECOWOQQ-SANMLTNESA-N 541.479 6.733 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697305 PWUBJNUHQMTQFF-PMERELPUSA-N 534.660 6.122 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)cc1OC 1865697515 VBDYXYXZMKZJHJ-LJQANCHMSA-N 563.374 5.647 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2cn(C)c4ccccc24)C(C#N)=C(N)O3)cc1 1865699430 UFEZFFQIRZASGH-AREMUKBSSA-N 522.008 5.970 50 10 KKGE Cc1ccccc1COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865703652 YBQWUPVWQFRBCG-PMERELPUSA-N 577.059 7.497 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1 1865707520 YOKQJIAHGXIKSU-HKBQPEDESA-N 553.666 6.793 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(OCC(=O)N(CCC)CCC)c(OC)c1)C(C#N)=C(N)O2 1865708794 GGCZZYWLXWYYLK-GDLZYMKVSA-N 573.694 5.088 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710664 DRTGFDVWBDJOOS-JOCHJYFZSA-N 522.914 6.438 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711705 GAABKEICGFFMTO-MHZLTWQESA-N 538.604 5.159 50 10 KKGE CC[C@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866568722 QQDWOLNFSYQMRX-FQEVSTJZSA-N 518.689 6.188 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1866995490 JYVCIUWBHBRSEG-SXOMAYOGSA-N 536.072 6.692 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccccc4[C@H]3CCc3ccccc3)nc(-c3ccccc3Cl)n2)cc1 1868415582 ZMWAWQCEQONHBG-WJOKGBTCSA-N 574.153 8.850 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433606 OGZXGGHUZPOEHG-RUZDIDTESA-N 531.016 5.930 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4cccnc4)C3)n2)cc1 1868544472 GPVOPJDTVVLHFQ-SANMLTNESA-N 522.678 6.731 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(/C(C#N)=C(O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2)c1 1872754779 ISEBWAQJXQNYFJ-NEUFDEOWSA-N 508.596 6.139 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cccc(I)c2)s1 1901027242 YLQQZJMSGOIMDX-SNVBAGLBSA-N 539.401 6.095 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(Cl)ccc2I)c1Br 1922887155 MJRCBPMXQHKOMC-SNVBAGLBSA-N 585.324 7.324 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cc(F)ccc2Br)c1Br 1922896830 ISKVAQCSQQWFJX-JTQLQIEISA-N 521.869 6.967 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)sc1Br 2013202210 JURSLWSERCNLKK-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cc1 2042446416 QVSYLFYTZYXHDG-UHFFFAOYSA-N 508.622 5.861 50 10 KKGE COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C[C@H]3O 2054328284 XFDOVQPSOPEMRW-WQQXISLVSA-N 520.871 7.596 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2cc(I)ccc2F)c1C 2082872318 ZNAILEPLZGSDNQ-LBPRGKRZSA-N 504.000 6.355 50 10 KKGE COC[C@@H]1C[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494800 NTNGSKDXOPYAGT-AWXIBCPOSA-N 526.288 6.299 50 10 KKGE CCOC1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085495728 SFASJJJSFMHUSM-LLVKDONJSA-N 526.288 6.586 50 10 KKGE FC(F)(C1CC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085497897 JGJORMPVRRYRDO-JTQLQIEISA-N 576.693 7.218 50 10 KKGE Cc1nscc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085501257 XJXZMOTWMYTZMX-VIFPVBQESA-N 583.763 6.986 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1ccc(Br)cc1Br 2138855546 XKYJTZSFHCWFII-CQSZACIVSA-N 513.849 6.467 50 10 KKGE COCCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141469250 UBMDAHRIEFVGPC-GFCCVEGCSA-N 584.766 6.989 50 10 KKGE CCn1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2206395688 PKZCQCPVXKIIKF-LLVKDONJSA-N 615.183 7.044 50 10 KKGE CC1(C)C[C@@H](C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CO1 2206396221 UMNGBDJRUVTTAX-XCBNKYQSSA-N 554.342 7.222 50 10 KKGE FC(F)([C@@H]1CCOC1)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399822 LXFQNZVNVXCVIH-BLTYZCFWSA-N 606.719 6.844 50 10 KKGE Oc1nc2ccc([C@H](Br)c3ccc(Br)cc3I)cc2o1 2207273362 UGWDXRYASJZLQK-ZDUSSCGKSA-N 508.935 5.385 50 10 KKGE Clc1cc(Br)c([C@@H](Cl)c2ccc(I)cc2)c(Cl)c1Cl 2224317053 KEUGZITZOCILTG-NSHDSACASA-N 510.811 7.342 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(Br)c1 2232078383 YMAHISGBABNPJI-VIFPVBQESA-N 598.774 7.291 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cc(Cl)ccc2Br)s1 2233021527 NKDDOXHGRSXUJN-ZDUSSCGKSA-N 503.481 6.947 50 10 KKGE BrCCCCC1CCN(c2ncc(I)cc2Br)CC1 2267978714 YVXITZYFIITMML-UHFFFAOYSA-N 502.032 5.230 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)sc1Br 2285075162 QIADYKRLEDAEFF-CYBMUJFWSA-N 547.932 7.145 50 10 KKGE Cc1sc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)c1C 2288346125 VZPWJAHIEKFDHF-NSHDSACASA-N 553.886 7.415 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OCc1ccccc1Cl 2295459676 MMVYVLBXCDRYSB-UHFFFAOYSA-N 507.930 5.780 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)Nc2ccccc2C)c1C 2297467147 STLCXPLWFKKSTI-UHFFFAOYSA-N 528.659 6.894 50 10 KKGE Cc1scc([C@H](Br)c2c(Br)sc(Br)c2Br)c1Br 2303643409 DTVSKVRAPYVPHW-ZETCQYMHSA-N 588.804 7.652 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313521411 MDEHMWUNOJMVSL-UHFFFAOYSA-N 553.325 5.399 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Br)cc1 2313670529 CTXXVEONOMMUCU-UHFFFAOYSA-N 527.418 7.126 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 2313670615 KSISNZDQIJKYKC-UHFFFAOYSA-N 501.797 7.089 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc(O)c2ccccc2n1 2314433115 JULNZWWCRPFGRR-UHFFFAOYSA-N 590.470 8.138 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592370 RWUQZPPROZJLOG-VWLOTQADSA-N 536.484 6.929 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593339 LJEKPLOOTBCMIU-DEOSSOPVSA-N 574.024 6.818 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593693 REQONEPKGBBMIU-DWXRJYCRSA-N 566.510 6.696 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2314618727 SLWVQONSGJJOGD-HHHXNRCGSA-N 514.585 5.464 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 2314634138 QLKZZDRZBWDBJS-YTTGMZPUSA-N 530.580 6.111 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 2314646560 CLEFZUVCBFIIGP-LJAQVGFWSA-N 676.795 5.952 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCc1ccccc1 2314646779 NQIFANSWXFUNDM-MGBGTMOVSA-N 680.786 6.343 50 10 KKGE COc1cccc(C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1OCc1c(Cl)cccc1Cl 2331030551 GJIYMTBAINUQID-UHFFFAOYSA-N 508.810 6.573 50 10 KKGE Cc1ccc(C)c(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)c1 2331319698 YJVINGZHBVKZJK-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE COc1cc(C=CC(O)=C(C#N)c2nc(-c3cccs3)cs2)ccc1OCc1ccc(Cl)cc1 2331326668 OYKDENIWCVCNGI-UHFFFAOYSA-N 507.036 7.619 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4c(C)cc(C)cc4C)cs3)CC2=O)cc1OC 2331393920 IPWWKUGIYLDMGG-OAQYLSRUSA-N 517.651 5.636 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2336050730 MLPAUIZGJOKEPW-HXUWFJFHSA-N 502.580 7.397 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Cl)cc2Cl)c1Br 2362228496 DVOQJEMDRAYDLF-LLVKDONJSA-N 526.252 7.795 50 10 KKGE BrC[C@@]12CCC[C@@H](CN(Cc3ccc(I)c(Br)c3)C1)C2 2377324303 NIEKULSASHAMHF-CJNGLKHVSA-N 513.055 5.441 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2888382 KWHGGSNGLINKGV-VLBGROSNSA-N 542.842 5.438 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(NC(=O)CCC)cc1 14648313 IWTJRIYKUCATKU-UHFFFAOYSA-N 504.425 5.222 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1 14651276 YAWKLJJQSFMLGN-UHFFFAOYSA-N 520.493 5.121 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OC 38660157 GJEBEVYCSJOMSH-PMERELPUSA-N 528.605 5.694 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCC(C)C 38684218 DKGNDMXSFNIEGK-PMERELPUSA-N 520.585 6.321 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38686170 XJZHCFSXLHXMNZ-PMERELPUSA-N 512.606 6.075 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 38701339 LLIBTMYHPGDUCT-HSZRJFAPSA-N 502.979 6.391 50 10 KKGE Cc1c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815801 GFKOGUDMPMBPLQ-PARHTJLUSA-N 505.578 6.655 50 10 KKGE Cc1occc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 40823568 JSSRGOXXZRDXQD-NJZRLIGZSA-N 517.969 6.658 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5cccc([N+](=O)[O-])c5)c(C)c43)coc2c1C 40826730 RBHNCVZNNGLONV-JBASAIQMSA-N 514.538 5.511 50 10 KKGE Cc1cccc(COc2c(Br)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2Br)c1 100145728 ZVONDHZEIZTACC-PLIDZJGOSA-N 560.286 6.063 50 10 KKGE CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)cc1OC 100172230 XLRLHHSLRMQKRU-HMMYKYKNSA-N 542.654 5.923 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100227647 WZTFFWBDUJCGDK-CIAFOILYSA-N 597.409 6.340 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1 101242069 HLDGALCQXZTWHU-BDPHVXEFSA-N 526.445 5.891 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3Cl)C(=O)N2c2ccc(C(C)C)cc2)c1 101245548 LLVNUGSRGABLJJ-MZTUTTDZSA-N 550.511 7.490 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(Cl)cc5Cl)ccc43)c2)cc1 101382075 SDTPWSHNLDQOGT-GDLZYMKVSA-N 557.433 7.318 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5cccc(Cl)c5)ccc43)c2)cc1 101382543 SAMASQVLLJXPCJ-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384085 STJWVIPHCXVFTI-SSEXGKCCSA-N 567.529 5.515 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)ccc1OCc1ccccc1F 101388775 JVBVXMRHZDANRG-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(Br)ccc4c3C)ccc21 101395111 VHYFUFSBPQFOLB-MHZLTWQESA-N 573.443 7.120 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)cc1 101396897 JDMBYEIMXXXUIZ-SANMLTNESA-N 545.060 7.561 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c(C)c2c1 101398008 HLBWVOBRVKBEKS-JGCGQSQUSA-N 625.508 8.627 50 10 KKGE Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)oc2c1/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)CCC2 101609795 SMOJUAPLADTYKJ-BIXQXLNPSA-N 569.661 7.621 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 105061445 OWIRJUHAGXNXFW-HASSKWOGSA-N 613.497 8.107 50 10 KKGE CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)Cc2ccccc2)cc1 105626930 CGZSXVYHIWGQSH-RHANQZHGSA-N 536.426 5.346 50 10 KKGE Brc1cc(Br)c(O[C@H]2C[C@H](Br)C23CCCC3)c(Br)c1 117316328 FDPFWMDHJBALPH-RYUDHWBXSA-N 517.881 6.449 50 10 KKGE CCOc1cc(/C=C\C(=O)NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 158958981 TXQDKBMPFGSDHM-HMAPJEAMSA-N 690.262 6.667 50 10 KKGE COc1c(C)cc(Br)c(C)c1[C@@H](Br)c1cc(Br)ccc1Br 161122412 XBMNKPMIOBHNQG-HNNXBMFYSA-N 541.903 7.084 50 10 KKGE CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O[C@@H]2[C@H](OC(C)=O)C=CO[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170156551 RNGIQPVDHUSLDB-YTSANIPXSA-N 953.243 5.889 50 10 KKGE Clc1ccc(I)c([C@@H](Br)c2cc(Br)sc2Br)c1 236069104 DDYOKBWYHICAKL-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE O=C(NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 239259344 ZBGMMSZHIJWMLO-UHFFFAOYSA-N 594.627 5.407 50 10 KKGE C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)COc2ccc3cc(Br)ccc3c2Br)C1 252461681 NKOHUIVKVFKBDS-OAHLLOKOSA-N 506.238 6.148 50 10 KKGE C[C@H](Sc1nnc(CNc2ccc(I)cc2)n1-c1ccccc1)C(=O)NN=Cc1cc(Cl)cc(Br)c1O 254387412 PGOXQAHHVXQPDV-HNNXBMFYSA-N 711.811 6.236 50 10 KKGE O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)NN=Cc1cccc(Oc2ccccc2)c1 254577188 KFFOVPVLXISNBS-UHFFFAOYSA-N 534.645 5.914 50 10 KKGE Cc1ccccc1C=NNC(=O)[C@@H](C)Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1 254867632 IKLBVSRCIVHWPU-JOCHJYFZSA-N 520.662 5.972 50 10 KKGE CCCCC[C@H](/C=C/[C@H](O[Si](C)(C)C(C)C)[C@H](C/C=C/CCCC(=O)OC)[C@H](CC(=O)NCCC)O[Si](C)(C)C(C)C)O[Si](C)(C)C(C)C 256881017 PNHUVPQEWLEWQB-XPZZLSCTSA-N 742.320 10.946 50 10 KKGE C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](I)CC[C@]5(C)[C@@H]4CC(=O)[C@]3(C)[C@@H]1[C@H]2C 261493267 LSSCSKHAALBXBQ-PKSQXDPGSA-N 540.526 6.416 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)c(C)cc2Br)cc1Cl 312647876 SWQSEXQXUSUTNJ-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE C[C@@]12CC/C(=N\NC(=O)c3ccncc3)C=C1CC[C@H]1[C@H]2CC[C@]2(C)/C(=N\NC(=O)c3ccncc3)CC[C@H]12 504372746 ZYEHQFGKBKGWDM-WNVXLENJSA-N 524.669 5.311 50 10 KKGE C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O)[C@H]([C@@H](C)C(C)(C)O[C@H]1CCCCO1)S(=O)(=O)c1ccccc1 575416947 FZTPBALCQSLXDA-ZQPCAFCQSA-N 769.218 10.984 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Cl)c3scc(Br)c3Br)c2O1 720026544 NHJUBUAKASBAQT-QTTZVWFDSA-N 501.465 6.687 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3F)c(I)c2)cc1 725398638 AUKXVBZMKKTTEZ-XMMPIXPASA-N 655.302 6.134 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CC[C@H](O)c3ccccc3)c2-c2ccccc2)cc1 725416763 KGHCBIYCTOLZRN-XIFFEERXSA-N 571.677 6.952 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](CI)C1 725438513 PGQKDFFQMAUZGI-MAUKXSAKSA-N 545.171 5.145 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccc(I)cc2)c1)c1ccccc1Br 1084049937 POPOMVHACIHDJE-UHFFFAOYSA-N 535.179 5.397 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=Cc1ccccc1OCc1ccccc1 1084065355 XXFCDMHQIVFQMX-UHFFFAOYSA-N 562.091 5.303 50 10 KKGE COc1cc(C=NNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084442583 AXKXDYNRGSTVDJ-UHFFFAOYSA-N 608.514 5.382 50 10 KKGE C=CCOc1c(Br)cc(C=NNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC 1084563816 KBUWDYLPDPCMFZ-UHFFFAOYSA-N 606.926 5.330 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)NNC(=O)c5ccc(Cl)cc5Cl)c(C)c43)coc2c1C 1772751468 CMKFLBCOBMGKCL-UHFFFAOYSA-N 581.456 5.732 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCCc1ccccc1 1772754910 RAIBLMHJGUGGEM-UHFFFAOYSA-N 552.121 6.726 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865689828 XJQQKLGCPFWLMM-GOSISDBHSA-N 525.314 5.551 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865691460 SJZDOOVSUZYEAH-GDLZYMKVSA-N 522.649 6.774 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2Cl)cc1OCC 1865691614 WMMQVUMNBXXYDY-HHHXNRCGSA-N 557.050 6.607 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccc(Br)cc3)cc2)cc1 1865693547 OXIKETRLKPOSJK-SANMLTNESA-N 527.422 6.049 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccn2)ccc1OCc1ccccc1 1865694372 UIMQCJQZKGZXMJ-PMERELPUSA-N 571.637 6.139 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 1865694516 WQLXPINTXJDLBY-MHZLTWQESA-N 561.469 6.937 50 10 KKGE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865695109 KFBAGBQVYBMHGJ-NDEPHWFRSA-N 506.606 5.608 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccccc2F)cc1OC 1865696307 LVKDHDUIXGQBTQ-HHHXNRCGSA-N 518.633 6.209 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865696373 DXDDLBMKKRCCRR-VWLOTQADSA-N 559.464 6.366 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(C)cc2)cc1OC 1865697502 UWOKTLPEARAOLR-GDLZYMKVSA-N 550.659 6.321 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)cc2)cc(Br)c1OC(C)C 1865697706 ZWABMUFNZSACMV-NRFANRHFSA-N 529.822 5.611 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2c(c1)OCCO2 1865698173 MJKLGTCDLGRNQR-QGZVFWFLSA-N 509.271 5.187 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)c1 1865704441 VXEPFIRNEMRWQY-WJOKGBTCSA-N 573.096 7.666 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705182 OEOPZSIGAFELDZ-GDLZYMKVSA-N 572.596 6.183 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867005373 VNYRPOSBAXYESE-SXOMAYOGSA-N 518.082 6.553 50 10 KKGE CC(C)(NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867133272 DWMIMZSMCWKIAR-HSZRJFAPSA-N 522.468 6.078 50 10 KKGE COc1ccc([C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)Nc2ccc(SC#N)cc2)cc1Br 1867197369 IYPNCXRBWWXTIZ-KXBFYZLASA-N 504.450 5.304 50 10 KKGE COc1ccc2c(c1)[C@H](c1ccccc1)N(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n1)CC2 1868320239 GANAXWSXRJQZPP-XIFFEERXSA-N 555.707 7.930 50 10 KKGE N#C/C(=C(/O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1nc(-c2ccc(Cl)cc2Cl)cs1 1872745064 VBUKLYBFISXYQU-JXAWBTAJSA-N 515.334 5.504 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 1872749748 GKCHTNXEHACVFD-QOCHGBHMSA-N 518.551 5.376 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(c3ccccc3Cl)C4=O)n2)c1 1872750135 YJVINGZHBVKZJK-DAFNUICNSA-N 511.990 6.831 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)C(c3ccccc3)c3ccccc3)n2)cc1 1872753162 JZBPCGICQBWKTP-PNOGMODKSA-N 508.687 8.784 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](CCSC)N3C(=O)c4ccccc4C3=O)n2)c(C)c1C 1872754248 JXPPZWKNGRIMSR-ATHPHSJWSA-N 519.648 5.646 50 10 KKGE Brc1cc(OCc2ccccc2)ccc1[C@H](Br)c1csc(I)c1 1899884267 RNFGXINFYOUYQA-GOSISDBHSA-N 564.080 7.179 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1(Cl)CCC1 2025779463 HQLGXTWEGBIGIC-JTQLQIEISA-N 530.707 7.178 50 10 KKGE BrC[C@@H](COc1c(Br)cc(Br)cc1Br)C1CCC1 2029291776 REGLIMJMZCOVAR-VIFPVBQESA-N 505.870 6.164 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Cl)sc(Cl)c1Cl 2050467361 LBXXXFFUUCKREW-QMMMGPOBSA-N 500.385 6.936 50 10 KKGE COc1cccc(NC(SCC(=O)C(C#N)=C2Nc3ccccc3S2)=C(C#N)c2nc3ccccc3s2)c1 2053623364 UTJZVUQTADTNMU-UHFFFAOYSA-N 553.694 6.864 50 10 KKGE CCCC[C@@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493456 CCDKIAKQQIKFDW-RDDDGLTNSA-N 570.783 7.999 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1COCCO1 2085495435 KUYFMAJCDMMGFQ-HQJQHLMTSA-N 528.260 5.432 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCCN)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 2086864973 XIASPBNFIPTHJI-ZYRNLWDWSA-N 906.147 8.612 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)O2 2141471882 XHHPXAOYXBWULD-SKPUXYCPSA-N 538.299 6.728 50 10 KKGE Fc1cccc(Cl)c1C[C@H](Br)c1ccc(Br)cc1I 2142279598 SASZTEYIPJZOJZ-NSHDSACASA-N 518.389 6.525 50 10 KKGE Cl[C@@H](c1cc(I)cc2c1OCC2)c1c(Br)cccc1Br 2150493092 IKXHLSUPXFFLAW-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)c3c(c2)CCCO3)cc1Br 2172560980 WBDFGEYUFMIDKC-GFCCVEGCSA-N 501.465 6.736 50 10 KKGE Cl[C@@H](CC[C@@H]1CCCCO1)c1c(Br)c(Br)cc(Br)c1Br 2206406390 YZZKBUWREQNKNE-KWQFWETISA-N 554.342 7.366 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2C)c(C)c1Br 2235609389 NKZTVZQRQVJVLI-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(Br)cc2)cc1 2293198296 RNQULPCBOVOPSW-HSZRJFAPSA-N 587.326 7.129 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C(=O)Nc3cccc(OCC)c3)c2-c2ccccc2)cc1 2294187506 YWDYZAGBGFFCCS-UHFFFAOYSA-N 581.672 7.932 50 10 KKGE Cc1cc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)n(-c2ccccc2)n1 2296507147 VPENQAIMVWAXQP-VWLOTQADSA-N 523.593 5.385 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2296720913 VKHQYJOCBCCYSC-UHFFFAOYSA-N 505.361 5.059 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 2297458643 OWDPVISZKIIERO-QFIPXVFZSA-N 528.848 6.712 50 10 KKGE Brc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1 2299535517 PQLDKOMLHCJTQL-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 2313518788 STDWDOWOPSJQOU-UHFFFAOYSA-N 525.830 6.934 50 10 KKGE N#CC(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 2313545863 KYWTZINTLHJWTC-UHFFFAOYSA-N 569.108 7.720 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)c1 2313548957 KAHGVMGMQZLCOE-UHFFFAOYSA-N 507.590 7.177 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(Cl)cc2Cl)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571419 VZLOXOLRIQNVNL-UHFFFAOYSA-N 743.981 8.634 50 10 KKGE N#CC(=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314490275 WLLNQVZUSSMAAW-UHFFFAOYSA-N 607.629 6.516 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)cc1OC 2314634451 UDYXRRNTHBNWHD-HKBQPEDESA-N 559.062 7.145 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1ccc(Br)cc1 2331051110 RGSZJCDWXTWJGG-UHFFFAOYSA-N 510.384 6.649 50 10 KKGE Cc1cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)ccc1F 2331320671 SHRJSJMBJYKMQP-UHFFFAOYSA-N 507.812 7.325 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 2331399375 DASDMTMULNNEDB-RCDICMHDSA-N 507.999 5.976 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCc1ccc(C)cc1 2331414333 XSOZLFZZQURLAF-UHFFFAOYSA-N 514.650 8.437 50 10 KKGE CS(=O)(=O)c1sccc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2336054706 UJYBAIFKIWOLDW-SFHVURJKSA-N 516.276 5.977 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)oc1C 2339652127 WDTONNNEQJEZCS-NSHDSACASA-N 519.828 6.807 50 10 KKGE ClCc1cc(Br)c(OCc2ccc(Cl)c(I)c2)c(Br)c1 2362427176 GUCCKAVJBSYGHV-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE FC(F)(F)[C@]12C[C@]([C@H](Br)c3cc(Br)ccc3OCc3ccccc3)(CO1)C2 2363838496 KBQGRIOUIKGJFY-GUDVDZBRSA-N 506.156 6.576 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(C)c(Br)s2)c1Br 2365230160 HFVRFDZLIMZSBX-NSHDSACASA-N 547.932 7.145 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1ccc(Cl)cc1I 2365597898 LHXMDKFWFVQNGH-CQSZACIVSA-N 530.425 6.508 50 10 KKGE Cc1ccc([C@H](CBr)OCc2ccc(I)c(Br)c2)cc1 2377622414 QXGWUPZOSSOERX-INIZCTEOSA-N 510.007 6.015 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 935387 PQEDMIABRXLSED-VLBGROSNSA-N 587.293 5.547 50 10 KKGE CCCCCCN(CCCCCC)c1ccc(/C=C2/C(=C(C#N)C#N)c3ccccc3S2(=O)=O)c(C)c1 34154244 ZRLYFONGBAKSBB-OFWBYEQRSA-N 515.723 7.591 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)ccc1OCCC(C)C 38684329 LQLFLOKPSFNMNX-LJAQVGFWSA-N 512.606 6.256 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)c1 38688752 LHZQYLTVEQKUGP-HHHXNRCGSA-N 510.546 5.813 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21)c1ccc(Cl)cc1 40846205 HCWICDAWWYBANT-QOMWVZHYSA-N 503.183 5.437 50 10 KKGE CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 41013360 CPXLQMNTCOFGCL-HZHRSRAPSA-N 500.620 6.415 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1F 58891941 WUVRQTOYVPCGQZ-PEHSQKLVSA-N 525.418 5.860 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(Cl)cc1 100227847 LQZLRZPFNXIDCP-MTJSOVHGSA-N 572.830 6.146 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1 100233607 KHENUTVHYRRMFD-POBUXNOSSA-N 620.338 6.162 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101307297 SUEZNKWRSLOVBF-RUZDIDTESA-N 533.924 5.259 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101339536 ZPMWPTBFDDCUFU-AJCQQECZSA-N 554.650 6.272 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101339842 XRQQTSKGMBPGRW-SSDVNMTOSA-N 542.975 5.449 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1cccc(Br)c1 101363643 BIOUQRBDCUKBNU-MUUNZHRXSA-N 537.413 6.405 50 10 KKGE Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1Br 101370397 MGDFWHCMDMLZFJ-XMMPIXPASA-N 525.786 5.614 50 10 KKGE CC(C)c1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384484 XYQFZPULALLHGD-KATKFWMUSA-N 578.640 7.119 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1F 101388808 OQAWJXWQZICNIF-HKBQPEDESA-N 566.585 6.249 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389814 UFFWJINJSQWGLF-HWTMKJKSSA-N 627.524 8.117 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)cc1OCC 101395362 QPNDHADBYYVREH-FQLXRVMXSA-N 542.588 5.228 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101395632 AUSNDQFQCTYIHF-HHHXNRCGSA-N 623.558 8.613 50 10 KKGE Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Oc4ccc(Br)c5cccnc45)c(C)c32)c1 101593396 NFWCCFALMUVVQD-TWKHWXDSSA-N 532.394 5.897 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CCC4)c2n1 101602329 OMMOMGLOAKHCOZ-NDZAJKAJSA-N 532.940 5.696 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccccc1O)CCC2 101619470 GJBFYSWPGMPZSY-RUMWWMSVSA-N 529.980 6.462 50 10 KKGE CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C(\CNC(=O)c2ccc(F)cc2)c2ccccc2)C1 102040915 HRLKTNYVEXRYMB-JDGBATRHSA-N 522.665 5.065 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(C[C@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779667 YTSRLMPWDDQSGB-MUAVYFROSA-N 559.103 5.272 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OCC)c1C 103071561 FTILGHLESBNLAZ-IWIPYMOSSA-N 547.677 6.126 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccccc1 103877577 UKUACANFQAYBRO-VULFUBBASA-N 526.330 5.389 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1F 103884452 BUJBAICUOLPTKT-XIEYBQDHSA-N 560.467 6.151 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 110557180 RWQNXNLHFWKLBX-HKOYGPOVSA-N 537.645 5.178 50 10 KKGE CCCCCCC[C@H](Cl)C(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118920728 KCEQSXCXMOAMQF-DFPFBKKRSA-N 561.335 10.908 50 10 KKGE Brc1ccc(C[C@@H](Br)c2cc(Br)c(Br)s2)cc1 124713412 UTUFWRVBPQVVKY-SECBINFHSA-N 503.879 6.714 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(F)cc3)cc2)cc1 150411050 SGNGQIWQHVJIPF-DBPDFFNYSA-N 714.775 6.183 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 150480275 QOJXARLZJSIYEC-XMMPIXPASA-N 676.767 8.735 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169682220 JWEOPRVXJUYGSP-QLRIEFGFSA-N 549.678 9.359 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2(C(=O)OC)CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 199851355 PTBKEUDRTSQWJU-DFLPTKOMSA-N 699.178 10.693 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205655042 UYTLLKJRVQJPDE-QDFMTWCFSA-N 554.643 6.500 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCCCC)c2)C1=O 214235031 JIUNLIVJOCCOKJ-RRAHZORUSA-N 522.649 6.501 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(F)c2)C1=O 214240378 XLJBLNOYRZEXMP-JLPGSUDCSA-N 512.585 5.860 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 214311561 QYOMXMJBXMDLTP-YKQZZPSBSA-N 557.654 6.214 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 214406696 CHMNYKPRUPKBOX-YSMPRRRNSA-N 546.558 5.242 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2I)sc1Br 235857517 XUNNUPIBCSVVSN-LLVKDONJSA-N 550.879 6.670 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 252625553 QMODHQZYQBUZHT-UHFFFAOYSA-N 668.410 5.042 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)CC(C)=NNC(=O)COc3ccc(C)cc3Br)ccc21 252634073 WKCKYJMAQHUHFF-UHFFFAOYSA-N 535.442 5.785 50 10 KKGE CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=Cc3ccc(OCCN4CCOCC4)c(OC)c3)c3ccccc3n2)cc1 254445599 AEAAEFBOPVXNDJ-XMMPIXPASA-N 566.702 5.899 50 10 KKGE O=[N+]([O-])c1ccc(NN=C(/C=C/C=C/c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)o2)c2ccccc2)c([N+](=O)[O-])c1 254614968 JXRVDTQMOBYDQL-PDNQZUAUSA-N 679.693 8.676 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccccc1)NN=C/C(Br)=C/c1ccccc1 254770937 JGGJUKZZMKMPFL-GGWIWSIYSA-N 505.441 5.715 50 10 KKGE O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)c1cc2ccccc2o1 254828445 NSWOXBWOQPXQQQ-UHFFFAOYSA-N 512.569 6.628 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2cc3c(cc2Br)OCC3)c1 308414197 KGMRGHFSCDBMHJ-HNNXBMFYSA-N 525.860 6.393 50 10 KKGE CC1(C)C[C@@H](Br)C[C@H](NC(=O)c2cc(Br)ccc2I)C1 693898594 VUVCXRSHHMOHJR-QWRGUYRKSA-N 515.027 5.126 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1scc(Br)c1Br 705410665 UDZPPNNRNGQMNN-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE Clc1ccc(I)c(COc2c(Br)cc(Cl)cc2CBr)c1 708158475 RMYVXACTQXEBPE-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 725415745 RFRCMRKRYFFLQR-UHFFFAOYSA-N 645.565 5.772 50 10 KKGE Cc1ccc(COc2ccc(C(=O)NN=Cc3c(OCc4ccccc4Cl)ccc4ccccc34)cc2)cc1 1081105072 OYUOFIAYRFUJGV-UHFFFAOYSA-N 535.043 7.724 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 1083909212 OBVRWBMYHAIXBA-DEOSSOPVSA-N 580.306 6.698 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3F)cc2)cc(Br)c1OCc1ccccc1F 1084023618 FIBLJVGESYGFDV-UHFFFAOYSA-N 594.412 6.331 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(F)(F)F 1084068607 SVGDUJBQCJNMLL-UHFFFAOYSA-N 520.511 5.994 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 1084117737 GWAHCULMZMMFHM-VWLOTQADSA-N 555.469 5.789 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(I)cc1 1084190972 COULYQUYCPLIDU-XDHOZWIPSA-N 668.156 8.214 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(Cl)cc3)cc2)c2ccc(C)cc2)cc1Br 1084250968 PVYTVTMTYHXQIU-UHFFFAOYSA-N 626.960 6.579 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 1084403637 GEJCGJWGEFGZLI-CXUHLZMHSA-N 520.185 7.020 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(F)cc2)cc1 1084445397 KGFGRLOTZYNJBR-UHFFFAOYSA-N 587.504 6.194 50 10 KKGE O=C(NN=Cc1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 1084498445 AHVMDELTKCXVTF-UHFFFAOYSA-N 501.178 5.228 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1 1865686706 ZQFKNKWXIKHVRM-HSZRJFAPSA-N 537.834 6.785 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 1865689515 AYNPPZLDBUBSEO-LJAQVGFWSA-N 526.596 6.345 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1ccccc1F 1865691106 JJCZJZOSDOGDTG-AREMUKBSSA-N 508.553 5.529 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865695384 NXKASRMAAYETDI-MUUNZHRXSA-N 527.024 6.007 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccn2)cc1OC 1865696598 IHTNLHIXZWLUHL-JOCHJYFZSA-N 544.409 5.322 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)c1OCc1cccc(C)c1 1865705637 AOYCGERFOLYWLS-OAQYLSRUSA-N 512.532 5.672 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1 1865707188 QEVLOSGYEBTVHK-HSZRJFAPSA-N 516.527 5.531 50 10 KKGE Cc1oc(-c2ccc(C(C)C)cc2)nc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(SC#N)cc1 1867182835 XPLNLXOIDIJEOO-NDEPHWFRSA-N 538.673 6.255 50 10 KKGE CC(C)(C)c1cc2nc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)cc(C3CC3)n2n1 1867187366 UOVHNMIWKBUOFX-HSZRJFAPSA-N 554.676 5.163 50 10 KKGE CCOc1cc(/C=C(\C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccc(Cl)cc1Cl 1872729255 XYNYNXJVOUZSBU-GIJQJNRQSA-N 527.360 6.715 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc(OCC)c1OCC 1872755535 RWYOACZYVCHEEM-MOHJPFBDSA-N 515.031 6.927 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2cccc(Br)c2)c1Br 1922939394 HSYJLKZNKYEMGZ-JTQLQIEISA-N 503.879 6.828 50 10 KKGE Brc1sc(Br)c([C@@H](Br)c2sccc2I)c1Br 1924580899 WDHFUGGUGAZYOQ-RXMQYKEDSA-N 621.777 7.186 50 10 KKGE CCCC(CCC)[C@H](Br)c1c(Br)sc(Br)c1Br 1924583859 PUZCBEVQTJUMBN-VIFPVBQESA-N 511.943 7.688 50 10 KKGE C[C@@H]1OCCO[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924615198 XPXOJDQGDABZAB-CVTKMRTPSA-N 513.871 5.276 50 10 KKGE Clc1cc([C@@H](Br)Cc2ccccc2I)sc1Br 1940447806 QLCFYVFRVGNMAW-QMMMGPOBSA-N 506.428 6.447 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1ccc(F)cc1I 2030223953 WBWOKBJYVALUBN-ZDUSSCGKSA-N 504.000 6.301 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)sc(Br)c2Br)nn(C)c1Br 2049255538 KDSZMFFYIJYEAF-YFKPBYRVSA-N 586.767 6.324 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@]23CCCOC3)c1Br 2077424848 XAAYXCFQLZPGEH-ZQWFHOFHSA-N 523.910 6.288 50 10 KKGE COC1(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2085493743 GNOUJJBXMSLFDO-MRVPVSSYSA-N 526.288 6.586 50 10 KKGE FC(F)[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085495033 OVYAUDBSLKKPNZ-SGTYWVLOSA-N 532.242 6.918 50 10 KKGE Brc1ccc(C[C@H](Br)c2ccc(Br)cc2I)cc1 2086145462 MUXXKLLSOMGCKO-ZDUSSCGKSA-N 544.850 6.495 50 10 KKGE FC(F)(F)[C@@H]1C[C@H]1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141468187 HGKCEQKEQDWDNZ-ZFSUVSKUSA-N 594.683 7.371 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCC[C@H]3C[C@@H]32)c1Br 2141468498 KLHDTQIGVBEZGB-FLNNQWSLSA-N 580.778 7.609 50 10 KKGE Fc1cc(Br)c([C@@H](Br)c2ccc(I)c(Br)c2)c(F)c1Cl 2201610937 LNSBABVVUQFYFA-NSHDSACASA-N 601.248 7.232 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2cccc(Br)c2Br)cc1Br 2202365004 OCSLGQPBEALEMK-ZDUSSCGKSA-N 548.294 7.120 50 10 KKGE Cc1ccc(C[C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206403791 MSFVGVLTWKZOLK-GFCCVEGCSA-N 546.322 7.568 50 10 KKGE Cc1oc(C)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1C 2206406337 YFNMPSWUOHPYNK-CQSZACIVSA-N 550.310 7.583 50 10 KKGE Cc1cccc([C@H](Br)c2c(C)sc(Br)c2C)c1I 2218800318 JDAHZAGNXNUOLM-LBPRGKRZSA-N 500.037 6.525 50 10 KKGE Cc1ccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)cc1 2222473432 SMCIUJZBKITDCY-SECBINFHSA-N 517.906 7.023 50 10 KKGE CCCCCCc1ccc([C@H](Br)c2cc(Br)sc2Br)s1 2234126686 ODHKUBHLPFMURY-CQSZACIVSA-N 501.147 7.942 50 10 KKGE Clc1ccc([C@@H](Br)c2cc(C3CC3)c(Br)s2)cc1I 2268273433 KGAKPGOVOSBNEN-CYBMUJFWSA-N 532.466 7.130 50 10 KKGE N#CC(=Cc1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567092 FZMDBQSVQAPCKT-UHFFFAOYSA-N 567.402 5.265 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCc1ccc(F)cc1 2313571027 LRQMORFDXWPTAH-UHFFFAOYSA-N 611.238 7.260 50 10 KKGE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 2313683393 YYYDBFQDYJREKO-UHFFFAOYSA-N 573.678 5.783 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)NCc3ccccc3)c2)cc1 2314478453 MFCJVGCCOPNTOY-UHFFFAOYSA-N 524.624 6.650 50 10 KKGE CCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1 2314591812 FLQIXTMBCZAHIU-SANMLTNESA-N 513.619 5.331 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 2314610175 DKROSZWMGJEKKA-UHFFFAOYSA-N 515.411 5.550 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 2314640647 HSDCOPBTQDJQIT-WJOKGBTCSA-N 534.999 6.756 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Cl)cc1Br)c1nc(-c2c[nH]c3ccccc23)cs1 2331348495 CZAQIIUMEWBTAL-UHFFFAOYSA-N 514.832 7.359 50 10 KKGE CCCCOc1ccc(C(O)=C(C#N)c2nc(-c3ccc(OCC)cc3OCC)cs2)cc1OCC 2331389029 JBMRJKAULKHCMS-UHFFFAOYSA-N 508.640 7.135 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1[C@@H]2CCCO[C@@H]21 2333303598 LOAOIQRVFYRWBR-UZBVEPSZSA-N 538.299 6.442 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1Br 2336043907 JKFCKWUSPBIRQX-FQEVSTJZSA-N 563.486 8.067 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Cl)sc2Cl)c1Br 2337091874 IHILTXPKIBJAMP-MRVPVSSYSA-N 532.281 7.857 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2338867279 MBESDIYIVIECPS-QMMMGPOBSA-N 584.701 6.094 50 10 KKGE Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1cc(Cl)ccc1Cl 2727457 DDIDIRIVRBTKBH-RLWLMLJZSA-N 519.501 7.496 50 10 KKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 10683637 QBRXJBNJBYBCEH-IDISGSTGSA-N 529.681 6.369 50 10 KKGE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(Br)cc1C(C)(C)C 14668195 AIYAQGHMVLHLKJ-LBPRGKRZSA-N 518.235 5.047 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 38656044 HHJAOSRBNOQMNQ-ODCWNRFASA-N 509.389 6.147 50 10 KKGE COc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)C)cc2)cc1Cl 38687075 YLFXFFWBMBEVRH-DEOSSOPVSA-N 509.389 6.563 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38688587 FKZMOSUYOPPPMJ-MUUNZHRXSA-N 506.558 6.360 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)c1 38701151 HQAGWIZMAXFIQI-MUUNZHRXSA-N 508.574 6.748 50 10 KKGE COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c(C)c21 40813189 OTRBTHLMSVUKNV-XXSAHEEDSA-N 521.577 6.735 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58895136 BRWFBJZBOPRLGF-SIBAOGJBSA-N 517.582 5.265 50 10 KKGE CCN(CCOc1cc(CBr)c(OC)cc1CBr)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 60290592 LSDTXUXSNQNSNM-ZQHSETAFSA-N 606.315 7.714 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 100190977 GXVRCYWEOAJATK-UHFFFAOYSA-N 570.509 5.402 50 10 KKGE Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 101245847 AMVGILNEGHVQIS-IEQIIXMPSA-N 536.484 6.984 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 101246894 SLPTVMGUZZMPNT-KVILUOORSA-N 562.489 6.140 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c1 101339971 JIZYJGSOCGTZFQ-NDZAJKAJSA-N 558.638 6.129 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCCC(C)C 101368412 XESOHGNQLJMLDM-SSEXGKCCSA-N 563.050 6.285 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OC 101369102 AYLLYXYXNNBCSC-XMMPIXPASA-N 521.367 5.294 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 101372207 NTQMSGZTCMKHBA-YTTGMZPUSA-N 570.686 7.271 50 10 KKGE CC(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380988 KEQMJWZBMPUJME-XIFFEERXSA-N 564.613 6.731 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1Cl 101385936 WDZKFVLXCZNYHP-WJOKGBTCSA-N 587.459 6.947 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)ccc1OCc1ccccc1Cl 101388069 GIXNTFXNRKQKBS-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1Cl 101388186 SKPAGJROMPSFMX-DOABURPNSA-N 609.078 7.163 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)ccc1OCc1ccccc1Cl 101388289 IDPAFTCRJBJIEO-UMSFTDKQSA-N 603.074 7.908 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1 101390800 RRPBVZCYDYZFKC-XMMPIXPASA-N 565.478 7.824 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101394769 TWDXFNNVAUSYLB-KYJUHHDHSA-N 556.615 5.618 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Cl)cc5c4C)ccc32)cc1OC 101394816 SBMJRUXLSVPBSD-SSEXGKCCSA-N 587.072 7.800 50 10 KKGE Cc1ccc2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(Br)cc5)c(C)c43)coc2c1C 101619788 ZLGUUAKXCFGCSI-DFKUXCBWSA-N 548.437 6.365 50 10 KKGE O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2c(Cl)cccc2Cl)ccc2ccccc12 102007072 ZNRWBPKJHMDYRJ-AMVVHIIESA-N 552.508 7.578 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(Cl)c1 102059917 XMBWXEUKWLHIFG-UVHMKAGCSA-N 541.054 5.218 50 10 KKGE Cc1ccc(S(=O)(=O)/N=C(\CCl)Nc2ccccc2N/C(CCl)=N/S(=O)(=O)c2ccc(C)cc2)cc1 104623105 PATMUAHAKJBJKW-UHFFFAOYSA-N 567.520 5.180 50 10 KKGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 109557464 PXJSPLZQKZZDSP-SSZFMOIBSA-N 548.627 5.688 50 10 KKGE COc1cc([C@H](Br)c2ccccc2I)c(OC)cc1Br 134302812 CUQAOEQPAIMSAT-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 150430570 PLVAKNYFYFHPDD-JGCGQSQUSA-N 685.958 8.572 50 10 KKGE FC(F)(F)c1ccc(Br)c([C@H](Br)c2cc(Br)ccc2Br)c1 159838187 ROSXGTCUHHVQGP-ZDUSSCGKSA-N 551.820 7.477 50 10 KKGE COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3cc(Br)c(O)c(Br)c3)cs2)c1 210643227 OTAJKTPSPGTXSK-ACAGNQJTSA-N 522.218 6.122 50 10 KKGE CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)C1=O 214226023 GGNZYYWLCHYFLO-ONUIUJJFSA-N 508.622 6.027 50 10 KKGE Brc1ccc(C[C@H](Br)c2cc(Br)ccc2I)cc1 232473596 ALXFUKIXTOSHIH-ZDUSSCGKSA-N 544.850 6.495 50 10 KKGE COc1ccc([C@@H](Br)c2cc(I)ccc2Br)cc1Cl 234975960 LKYIZYDIQSUSRD-CQSZACIVSA-N 516.398 6.200 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Br)sc2Br)c(F)cc1Br 236220424 CCWUCYMHCSYKJL-SNVBAGLBSA-N 525.832 6.798 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 252607063 GXUKGEQPUXYXFZ-UHFFFAOYSA-N 585.726 6.133 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)/C(=C/C(C)=C\c1ccccc1)NC(=O)c1ccccc1 252633600 WEQOPTQUXTVPIT-DOTKOWSQSA-N 503.602 6.106 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(CC)CC 253575426 UOFIIVDTOQPUPK-XICOUIIWSA-N 607.788 5.812 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C 254386348 RYGBTBAZCTXERG-MFDFQZJOSA-N 514.576 7.882 50 10 KKGE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2cccc(OC(=O)c3cccc(F)c3)c2)cc1 254559382 WJOOHWAGBDIACM-SVBCIEFKSA-N 550.590 5.032 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)c(OCC)c1 254706147 VZPTTWIUKPMXRL-UHFFFAOYSA-N 523.674 5.792 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1 254753390 ZXQFNCIWSPHSGF-UHFFFAOYSA-N 594.837 9.415 50 10 KKGE CCCCOc1ccc(C=NNC(=O)CCCCCCCCC(=O)NN=Cc2ccc(OCCCC)cc2)cc1 254869699 YTLCCMGJYCWWBF-UHFFFAOYSA-N 550.744 6.766 50 10 KKGE COc1cc([C@@H]2c3sc(=S)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]54)[C@H]23)ccc1OCC(C)C 256027242 VEAGAZNBOZXMBZ-AANBCNRASA-N 503.667 5.037 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1ccc([C@@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 616586282 GJGOCDUJSPHMGR-SANMLTNESA-N 507.772 6.982 50 10 KKGE COc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(Br)cc1 725414858 DCUQQTJTNZKWMA-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 1083805112 YUZLCBDCWPRCMA-UUMQFCMKSA-N 620.771 6.056 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2C)cc1 1084163566 DLIYLACTNVICCT-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE COC(=O)c1ccccc1-n1c(C)cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 1084169927 QPDMNTUGONHLPT-UHFFFAOYSA-N 530.628 6.411 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2ccccc2C)cc1 1084216921 AWUYBEFXAUCZID-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084281854 FIGCEZOQYAVZHA-UHFFFAOYSA-N 517.807 5.853 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)N1CCN(c2ccccc2)CC1 1084343164 KNJXDIKNLWPNTK-CJLVFECKSA-N 520.402 5.423 50 10 KKGE COc1cc(C=NNC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)ccc1OCc1ccc(Cl)cc1Cl 1084349171 ZUIAMCWKHHJKDJ-UHFFFAOYSA-N 660.452 5.194 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Br)cc1OCc1ccccc1 1084417709 VVKUARSRWPRTBF-UHFFFAOYSA-N 608.536 7.957 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1cccc2ccccc12 1084464324 BARSSMZEXFBKGF-OYKKKHCWSA-N 541.445 7.352 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=NNC(=O)CN(c3ccc(OCC)cc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 1084528056 DCMVDGYLNVHAGO-UHFFFAOYSA-N 589.670 5.176 50 10 KKGE Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743823 JNUIOIKKQUJMNG-UHFFFAOYSA-N 514.807 5.404 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2Br)cc(Br)c1OCc1ccccc1 1772753840 AZGFXJWICMRCOU-UHFFFAOYSA-N 548.231 5.328 50 10 KKGE Cc1cc(OCC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)c(Br)c(C)c1Cl 1772756541 ONTCVJXZAXDNBL-UHFFFAOYSA-N 524.846 6.251 50 10 KKGE N#CSc1ccc(NC(=O)c2cccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)n2)cc1 1860561953 YJOLFKYMKZOISI-UHFFFAOYSA-N 501.395 6.012 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684844 AAVXXVQMOBXBML-JOCHJYFZSA-N 539.369 6.410 50 10 KKGE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687975 FOZNAPWTVYDSEQ-NDEPHWFRSA-N 541.051 6.326 50 10 KKGE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688383 QTZHSWBVBFMGFA-LJAQVGFWSA-N 555.078 6.983 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691292 OSISJZIBQQRYHE-HHHXNRCGSA-N 569.533 7.377 50 10 KKGE Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)c2ccccc21 1865699661 ZGXSWLQMJRLINS-SFHVURJKSA-N 504.299 5.908 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703623 XHERORSFHREKHT-SSEXGKCCSA-N 512.613 6.694 50 10 KKGE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704134 OFCDRYNVCBWJER-GDLZYMKVSA-N 567.476 7.692 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707317 UDHMBLVYAVDCCO-XMMPIXPASA-N 514.969 5.437 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711092 PNCVAMBEOQCGNZ-RUZDIDTESA-N 530.550 6.461 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc(OC)c1O 1865714460 LBRFOVLANIFMQK-AREMUKBSSA-N 516.557 5.633 50 10 KKGE CSCC[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866568409 JAXIKXXJBYMIIQ-OAQYLSRUSA-N 564.783 6.531 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCN3CCc4c(Cl)cccc4[C@H]3C2)n1 1868342730 YITUMZCBMHEUDC-HSZRJFAPSA-N 505.091 6.164 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(O)/C(=C/c3ccc(OC(C)C)cc3)c3ccccc3)n2)cc1 1872747486 FXBSYDUVVFIUQO-CDTUWOALSA-N 508.643 8.029 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)n2)c(C)c1 1872748826 PHDYYWXBZXXJGK-QVTSOHHYSA-N 515.638 7.887 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3OC)cs2)CC1=O 1872759738 XZJVGFRKNLLZSK-IHCLVQKISA-N 519.623 5.553 50 10 KKGE O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1873496956 GGISNPNAPAAQQY-FDAWAROLSA-N 520.029 5.511 50 10 KKGE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 1873795725 ZBGNLZJBHMQHCT-WMPMWDHYSA-N 504.425 5.028 50 10 KKGE Cc1c(Br)cccc1[C@H](Br)c1sc(Br)c(C)c1Br 1922897436 NKTILRBSCVQPNK-NSHDSACASA-N 517.906 7.137 50 10 KKGE Cc1cc([C@@H](Br)c2sc(Br)c(C)c2Br)sc1Br 1922940020 KARODOAPJGFFBV-MRVPVSSYSA-N 523.935 7.198 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Cl)sc1Br 1923048077 FGHZSWDDAKYGFM-LURJTMIESA-N 544.353 7.543 50 10 KKGE Brc1cnccc1C[C@H](Br)c1cc(Br)c(Br)s1 1924047099 HZRLVQVPKOPENQ-ZETCQYMHSA-N 504.867 6.109 50 10 KKGE CC[C@H](CC(F)(F)F)[C@H](Br)c1c(Br)sc(Br)c1Br 1924605515 SIFARYORPRDXDZ-XINAWCOVSA-N 537.859 7.450 50 10 KKGE COC(=O)CCCCCCCCCCCC[C@H](O[Si](C)(C)C)[C@@H](C[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C 1933247607 MGKXMFDMJJIMHV-DYIKCSJPSA-N 651.239 9.743 50 10 KKGE CCc1cc(Br)c([C@H](Br)c2ccc(I)c(Cl)c2)s1 2029233334 RSTFURFBLTXXRX-GFCCVEGCSA-N 520.455 6.815 50 10 KKGE N#CC(=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2)CC1)c1nnc(N2CCOCC2)n1-c1ccccc1 2040465570 VZJQGSZSRIFDGT-UHFFFAOYSA-N 555.082 5.128 50 10 KKGE N#CCCN(CCCCCCN(CCC#N)C(=O)C(C#N)=Cc1ccc(OC(F)F)cc1)C(=O)C(C#N)=Cc1ccc(OC(F)F)cc1 2053622713 LVAKJRDDJHCLQG-UHFFFAOYSA-N 664.660 6.449 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2083323510 XDPDZKAYCQEYOB-LLVKDONJSA-N 501.842 5.675 50 10 KKGE Clc1ccc(I)c([C@@H](Cl)c2ccc(Br)cc2Br)c1 2083331009 VEPDJROLDFOCIN-ZDUSSCGKSA-N 520.817 6.798 50 10 KKGE Brc1cc(Br)cc([C@H](Br)c2ccc(Br)cc2Br)c1 2083335785 VKUBBRRNIAQRTQ-ZDUSSCGKSA-N 562.719 7.221 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C[C@@H]2CCCO2)c1Br 2085494654 NBUOARXUALCQEF-BQBZGAKWSA-N 570.739 6.742 50 10 KKGE Fc1cncc(Oc2c(I)cc(Cl)cc2I)c1CCl 2087679194 FTVRAQBDYISSGG-UHFFFAOYSA-N 523.898 5.614 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)c(C)cc1Br 2094272249 VHAVCWQQRYWAKF-GFCCVEGCSA-N 515.869 5.983 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)c2csc(Br)c2Br)c1Br 2141474302 ZBIMIWVXNBBYNE-ZETCQYMHSA-N 726.540 8.807 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(Br)ccc2I)c1Br 2201077691 JLRJBLXBCXLYHC-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@H](Br)c1c(Cl)cccc1Br 2202995952 DNTJYZJURPRPIO-ZDUSSCGKSA-N 503.843 7.011 50 10 KKGE CCn1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2206395689 PKZCQCPVXKIIKF-NSHDSACASA-N 615.183 7.044 50 10 KKGE FC1(F)CC12CC([C@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C2 2206402211 QDHFNRCNFILAOH-MFOBGVTRSA-N 602.731 7.608 50 10 KKGE CC(C)Cc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2207272007 LJYBLPLQWZLBDW-KRWDZBQOSA-N 508.035 6.737 50 10 KKGE Fc1cc(F)c(F)c([C@H](Br)c2ccc(Br)cc2I)c1F 2207275577 MVZRNNGIOHRBSY-LLVKDONJSA-N 523.887 6.094 50 10 KKGE COc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Br)c1 2232077214 QDEDIDCUHSZPQQ-VIFPVBQESA-N 554.323 7.182 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1c(Br)cc(Cl)c(Cl)c1Cl 2232512392 SVVIRGCWDWNSAY-LLVKDONJSA-N 542.707 8.310 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1ccc2c(c1Br)CCO2 2238071538 ORKIRVPZMACAPY-HNNXBMFYSA-N 528.409 6.079 50 10 KKGE N#CC(=Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2293189795 JXUZSTUJOMRTOW-UHFFFAOYSA-N 558.379 7.321 50 10 KKGE N#CC(=Cc1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1 2293189832 OMWZZRFXFLCKOY-UHFFFAOYSA-N 553.492 7.784 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC 2293202112 DUIGPBXNIMPHFR-UHFFFAOYSA-N 510.059 6.901 50 10 KKGE COc1ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2295273641 AQNQAWUUBRGMCO-ZDUSSCGKSA-N 527.876 6.661 50 10 KKGE N#CC(C(=O)Nc1cccc(Cl)c1)=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506787 FKMVNBCWJOQAKJ-JOCHJYFZSA-N 538.854 6.167 50 10 KKGE Cc1ccc([C@H](Cl)c2sc(Cl)cc2I)cc1I 2300953710 NGOIEYZICLLKQJ-NSHDSACASA-N 508.977 6.247 50 10 KKGE CCOc1cc(C=C(C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521349 HZVPCNBEPYAEMO-UHFFFAOYSA-N 503.223 7.798 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Cl)cc1 2313521461 PMOAIDFWMQEPJA-UHFFFAOYSA-N 589.773 5.986 50 10 KKGE Cc1ccc(COc2ccc(Br)cc2C=C(C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2313631440 PZVYVEPCZBHVJQ-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@H](Cc3cccc(C(F)(F)F)c3)C(=O)N2c2ccc(C(C)C)cc2)c1 2314592470 UPWJOLSDYGNHJG-AREMUKBSSA-N 549.618 7.202 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314593166 INSFIMUXLILDJM-QXNWPYRLSA-N 551.756 7.456 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2314616966 OBLXJQMKLISHOL-UHFFFAOYSA-N 625.128 7.873 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620537 QDRVVFMJESMVAI-UHFFFAOYSA-N 568.699 5.977 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1 2314634386 LNCYIBJQPVPNFU-WJOKGBTCSA-N 540.616 5.966 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 2314640607 AUVCERGKSCQRPI-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(C(C)C)cc4)cs3)CC2=O)cc1 2331340406 ARYXFSXLSVGSLQ-OAQYLSRUSA-N 501.608 5.956 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cccc(OCc4ccccc4)c3)n2)cc1 2331460657 QFRNMCYTNJVIQL-UHFFFAOYSA-N 508.687 8.802 50 10 KKGE CCC1(CC)[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2341837496 LJKRLNCMTIGISL-KBPBESRZSA-N 502.028 5.913 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361173744 VHDXBUNJYIPVPK-NDXORKPFSA-N 514.279 5.679 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2364225905 DUSVXERJTCMWSF-MRVPVSSYSA-N 574.695 6.591 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Cl)c2ccc(OCc3ccccc3)cc2)c1Br 2365196947 RIQGESMAMDPBID-NRFANRHFSA-N 510.653 7.436 50 10 KKGE Cc1ccccc1[C@@H](CI)OCc1ccc(Cl)cc1I 2365655058 SQUCJNZRVNTNGN-MRXNPFEDSA-N 512.556 5.946 50 10 KKGE COc1cccc(N/C(SCC(=O)N2c3ccccc3Sc3ccccc32)=C(\C#N)c2nc3ccccc3s2)c1 3253940 LTMXGDMIJYWDRA-SWKFRHMKSA-N 578.744 8.172 50 10 KKGE CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 9873411 LCFPZUGEPYPZIB-SFTDATJTSA-N 515.654 5.978 50 10 KKGE COc1ccc2cc(Br)ccc2c1CC(=O)NNC(=O)C(c1ccccc1)c1ccccc1 35550912 LGDYOEVPFFJWBT-UHFFFAOYSA-N 503.396 5.133 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(Cl)c3)c(C)c2cc1Cl 38687711 YANJOUBNNRJVDO-XMMPIXPASA-N 505.357 6.794 50 10 KKGE COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38700920 FKZSCKCJSUFNPB-AREMUKBSSA-N 508.530 5.582 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)c1 38701092 WHSVXSJXSVGHCB-NDEPHWFRSA-N 506.558 6.306 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(Oc2cccc3ccccc23)c1[N+](=O)[O-] 40583540 VALBPEDNBFXEMO-UHFFFAOYSA-N 500.298 5.159 50 10 KKGE CCOc1cccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 59152302 FRELJQDFRVGFCZ-TXNBCWFRSA-N 502.634 6.300 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 100186877 JYDDJQATZAQBPE-GOSISDBHSA-N 572.525 5.664 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc4ccccc4c3)cc2Br)cc1 100233602 PHGSXJLBSVGENP-LPSZMKJGSA-N 605.529 6.943 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(I)c(OCc3cccc(C)c3)c(OC)c2)cc1 100237704 LNQFUYNEYUCSKD-ZSYYNXLFSA-N 602.469 5.550 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101245951 VKUQQTCVLJVGJA-OKBUYZRPSA-N 536.484 6.929 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1 101335018 LWZFGTZSURNBRZ-FMFFXOCNSA-N 594.646 7.050 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 101339903 SCWVWTZCSUAWMW-UXHLAJHPSA-N 558.638 6.048 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 101362429 BQNGISPDSRKNLZ-KPFDFLGMSA-N 556.662 7.400 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCCC(C)C 101375205 UTYWDEYBJPHNRV-PGUFJCEWSA-N 588.704 7.466 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101384152 YKSNRXBRBCPJCU-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccc(F)cc2)c1 101384503 MEJUAGPUABRIMR-YTTGMZPUSA-N 564.613 7.021 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101385234 NLSMFVQUUHYMNN-WSZBJRLPSA-N 558.634 6.728 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387216 VYDOALWLIGJTIT-YTTGMZPUSA-N 580.612 6.638 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCCC(C)C)c(OC)c2)cc1Cl 101393360 XFVJMAAYJKTFKU-GDLZYMKVSA-N 611.522 7.653 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1OCC 101395432 VAJGNYZUFUHRRC-OTABCKCHSA-N 546.708 7.384 50 10 KKGE CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)c1 101396767 BWFXLULIISLGRJ-SANMLTNESA-N 545.060 7.479 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1 101397187 OYBSKXIADBSCDV-JGCGQSQUSA-N 564.682 8.145 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 101599760 HGQZPPQLHSINOF-ZTKZIYFRSA-N 538.398 5.250 50 10 KKGE CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(OC)c1 101761672 VPFBYVKZIHNWFO-CPNJWEJPSA-N 563.876 5.926 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)OCc2csc(-c3ccccc3)n2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 103122128 KFAQYAVAQKQPMV-JAIQZWGSSA-N 541.982 7.540 50 10 KKGE Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 103738488 YWWIGFWFPJIQNS-MWRNPHMMSA-N 536.699 6.999 50 10 KKGE CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 103879908 HCDCDZNKEUSYPU-OPEKNORGSA-N 568.218 5.062 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCC#N 103880762 SAUCPCNPRAVXRA-FDAWAROLSA-N 543.421 5.890 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 130494640 ITOXHFKLBFHHMM-LLVKDONJSA-N 503.879 6.828 50 10 KKGE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)ccc1OCCC(C)C 150411299 WTAAFEFJBZOTLJ-HSLXWWMRSA-N 660.796 6.189 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)ccc1OCc1ccccc1F 150462654 NBJZADROUHJZRW-WJOKGBTCSA-N 655.476 7.668 50 10 KKGE CCc1cccc(CN(C)C(=O)N[C@H](C(=O)NN(Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)C)n1 161112139 INNFPTNOCXSLDJ-FSEITFBQSA-N 694.877 5.242 50 10 KKGE O=C(N/N=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)c1cc2cc(Br)ccc2o1 164645763 CRQYYJVFVDTTSN-LUOAPIJWSA-N 746.093 6.656 50 10 KKGE C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 169724486 VYFSPNKCOVGVSC-NGQVCNFZSA-N 705.721 5.131 50 10 KKGE CCCCOc1ccc(/C=C\C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCCC)cc2OC)cc1OCC 207296005 VTPVCTSWSGOOMC-GKWGMDFUSA-N 506.599 5.325 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2 209398218 BZTKFTRPGIQSSQ-NWCRWOLESA-N 505.552 5.763 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c1 214340225 PKFWFTPCCRCRSZ-BGQFGOBASA-N 542.639 6.682 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)C2=O)cc1 214393710 MLHKEAIOLMVHDW-RHANQZHGSA-N 544.611 5.657 50 10 KKGE Cn1c2ccccc2c2cc(C=NNC(=O)c3cc(Br)c(O)c(Br)c3)ccc21 254491798 NPYDGJWNGXTZAS-UHFFFAOYSA-N 501.178 5.326 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2OCC)cc1 254492812 LLCUMHWATLUBSG-UHFFFAOYSA-N 615.708 5.966 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCCc1ccccc1 256028248 AUBNAQDABOAWEF-UHFFFAOYSA-N 583.533 5.840 50 10 KKGE C[C@H]1CC=C(C=O)[C@@]2(C)CCC[C@@](C)(C[C@H]3O[C@@H]4O[C@@]5(O)[C@H](O[C@@H](C[C@@]6(C)CCC[C@@]7(C)C(C=O)=CC[C@@H](C)[C@H]67)[C@@]56CO6)O[C@@]4(O)[C@@]34CO4)[C@@H]12 256447871 UXKREJHATGOFIH-FWGSVVCSSA-N 696.878 5.134 50 10 KKGE CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3c(Br)nc4c(OCc5ccccc5)nc(N)nc43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 256681787 JDXBCEWMDJONPM-HJOGWXRNSA-N 678.777 6.994 50 10 KKGE ClCc1nc2c(Br)cccc2n1-c1cc(Br)ccc1I 312478714 YFMGVTNZCDVYPS-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE Cl[C@@H](c1ccc(Br)cc1Br)c1cc(I)cc2c1OCC2 312675392 ODFSKBFTTHBKGF-AWEZNQCLSA-N 528.409 6.079 50 10 KKGE CC(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)(C(C)C)C(C)C 616588297 LAVSLNMQPNHPSL-VSTHVJHTSA-N 697.001 9.876 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)c1 616588719 MVYCNYZFAVUTEM-AREMUKBSSA-N 507.772 6.982 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2scc(Br)c2Br)cc1Br 705437716 IPFCPOOSBPSBRU-LLVKDONJSA-N 538.324 7.435 50 10 KKGE COc1ccc(OC)c([C@H](Br)c2ccc(I)c(Br)c2)c1 721574294 XQPPIPZOJUMPNX-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(I)c(Br)c2)c(C)cc1Br 721615749 SMQGUCMKTDZHSM-HNNXBMFYSA-N 558.877 6.917 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 725380304 HYJIUVDWABOTED-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)cc1 725425349 CTZUERBQZAHUML-RUZDIDTESA-N 555.469 5.708 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 1084032044 IORQCPUYIVSXRH-JOCHJYFZSA-N 564.249 5.894 50 10 KKGE CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084092462 RTBREKBDCXROAM-UHFFFAOYSA-N 584.016 5.502 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 1084117672 IBBXWMWFGJODIV-UHFFFAOYSA-N 528.472 5.308 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 1084157545 QFJYAPUVBSCUGP-QFIPXVFZSA-N 583.253 6.141 50 10 KKGE Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1084309839 FOVOEJPXSQQESW-UHFFFAOYSA-N 556.416 5.993 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084477822 CCJFMXDPNHJZKU-VWLOTQADSA-N 576.318 7.027 50 10 KKGE Cc1ccccc1-n1c(C)c(Br)c(C=NNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C 1084648934 CBTMIMBHZFVMQW-UHFFFAOYSA-N 515.433 5.457 50 10 KKGE Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772748624 RZXWNQNQPXUCPD-UHFFFAOYSA-N 514.365 5.024 50 10 KKGE CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)C(=O)C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCC1 1848433204 GNAPAUDDSROWCR-JPTPMGMWSA-N 732.233 11.168 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 1865684546 RUGLZWZGDJAGMD-NRFANRHFSA-N 503.787 6.173 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2Cc1cccc(Cl)c1 1865688084 IVSIUSKSYVMEJU-NRFANRHFSA-N 510.903 5.984 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2Cc1cccc(Cl)c1 1865688489 TVHQCAWXLSQEMQ-MHZLTWQESA-N 519.004 6.632 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)cc2)ccc1OCCc1ccccc1 1865688631 XIUXFAXMMKTCEN-XMMPIXPASA-N 566.967 6.393 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1cc(Br)c(O)c(OC)c1)C(C#N)=C(N)O2 1865689051 IUFLAQQEMKHGIU-HXUWFJFHSA-N 547.812 5.371 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(Cl)cc2)cc1OCC 1865691203 MJMDDYOXWNCJLI-MHZLTWQESA-N 535.088 6.723 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2ccc(C)cc2)cc1OC 1865692645 OIYMEQDRYTZMQQ-SANMLTNESA-N 579.539 6.751 50 10 KKGE COc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCCCc3ccccc3)c(OC)c2)cc1 1865697408 RTXWYZCEVGZCKY-AREMUKBSSA-N 576.575 6.138 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2 1865701240 PSVYYXKIEVVWBL-FQEVSTJZSA-N 558.274 5.641 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712196 RWMTUTXZFCJKSC-DEOSSOPVSA-N 516.523 6.056 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715179 YPJFXIOMDLKLKU-SANMLTNESA-N 531.528 5.533 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(OC)c1O 1865715200 YYKWSSHDGDSFRQ-HSZRJFAPSA-N 514.969 5.193 50 10 KKGE O=C([C@H](Cc1ccccc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O)N(CCCl)CCCl 1866312587 QIMJYAXEIWHIEU-LBPRGKRZSA-N 922.892 5.619 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4cc5c(cc4[C@H]3c3ccccc3)OCO5)nc(Cc3ccccc3)n2)cc1 1868207189 JBABLGKLIVYSTJ-UUWRZZSWSA-N 569.690 7.265 50 10 KKGE COc1cc2c(cc1OC)C1(CCCCC1)CN(c1cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n1)C2 1868207628 PTUHRVIKTRAPJI-UHFFFAOYSA-N 577.754 7.623 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)nc(-c3ccccc3Cl)n2)cc1 1868415575 ZJGOCOPITJFSHG-UHFFFAOYSA-N 549.081 5.324 50 10 KKGE CSCC[C@H](/C(O)=C(\C#N)c1nc(-c2cccc3ccccc23)cs1)N1C(=O)c2ccccc2C1=O 1872752194 QXIBMSWINRTXIM-FOSWXRMZSA-N 511.628 6.174 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1cc(I)sn1 1983287149 YQSZJRHFSZMVGV-YFKPBYRVSA-N 533.863 6.363 50 10 KKGE Fc1ccc(I)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2003650401 VBCRVZQMCWENRI-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE CC(F)(F)C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025781129 CUIAXZCTALMTKL-LURJTMIESA-N 520.231 7.062 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc(I)c1OCc1ccc(F)cc1 2053623038 BFFBSQGWGAUSBM-UHFFFAOYSA-N 589.317 5.177 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(I)c1OCc1ccccc1C 2053623228 MQCJCDZHYDDSOT-UHFFFAOYSA-N 592.355 6.752 50 10 KKGE N#CC(C(=O)COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12)=C1Nc2ccccc2S1 2053624534 LXKJWXQOKCYYPE-UHFFFAOYSA-N 529.524 6.182 50 10 KKGE Brc1scc([C@H](Br)c2csc3c(Br)cccc23)c1Br 2093942278 OVYSSEFQFNDTME-SNVBAGLBSA-N 545.941 7.735 50 10 KKGE Brc1ccccc1[C@H](Br)CCc1cccc(Br)c1Br 2113441455 IENXYRYCRWBHIG-CYBMUJFWSA-N 511.877 7.043 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2115941788 DOAVSIHWCKMZOU-ZETCQYMHSA-N 519.427 7.491 50 10 KKGE C[C@@H]1CCO[C@H]1C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141469306 UNPYISQVHFONOH-FWWHASMVSA-N 584.766 6.988 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@]12C[C@H](CCO1)C2 2141470824 LCNYNRQWSZQARO-SMOQUIODSA-N 538.299 6.586 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCC3(CC3)C2)c1Br 2206395747 QCGKGFDAKZZHEN-PRHODGIISA-N 594.805 8.143 50 10 KKGE FC1(F)CCOC[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206398872 ZTATYCBRDUDVBY-DYEAUMGKSA-N 562.268 6.688 50 10 KKGE Fc1ccc(Cl)c([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399660 KFBKPXFHFZQCKV-LLVKDONJSA-N 615.154 8.013 50 10 KKGE CCOc1ccc(C)cc1[C@@H](Br)c1ccc(Br)cc1I 2207272221 MLPQEQNNVLIFGD-INIZCTEOSA-N 510.007 6.245 50 10 KKGE Cn1ncc(Br)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218598976 XPWPYYICQZKIPL-JTQLQIEISA-N 505.805 5.331 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)c(C)c1Br 2235604911 PTBGRJTUKISBPL-OAHLLOKOSA-N 593.322 7.524 50 10 KKGE Brc1cc2sc([C@H](Br)c3ccc(I)c(Br)c3)cc2s1 2278028222 QCLFAPWFEGEOPL-CYBMUJFWSA-N 592.941 7.577 50 10 KKGE Cc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2293198236 LXTAHDYNFKSBBH-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=Cc3cccs3)NC(=O)c3ccccc3)cc2)cc1 2294764869 CDNHHOMQQCUBLN-UHFFFAOYSA-N 551.668 6.186 50 10 KKGE CCCCCC=CCC=CCCCCCCCC(=O)O[C@@H]1CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C1C 2294818705 NDFQGMFLXKIOOV-PSXMRANNSA-N 562.879 11.052 50 10 KKGE Cc1ccc(OCCOCCOc2ccccc2C=C(C#N)c2nnc(NC(=O)c3ccccc3)s2)cc1 2296561919 AASQRVGXVKMPSB-UHFFFAOYSA-N 526.618 5.637 50 10 KKGE CCOc1ccccc1NC(SCc1ccccc1C)=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 2297414541 GYEVQSRNWDYWSN-UHFFFAOYSA-N 531.678 5.850 50 10 KKGE N#CC(C(=O)Nc1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 2297458560 CFIXAAZZMJWZGT-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE Cn1ncc([C@H](Cl)c2ccc(OCc3ccccc3)cc2Br)c1I 2299504974 RUMMZBZXXIXPBD-QGZVFWFLSA-N 517.592 5.694 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313518836 WERPMAISUTYKDY-UHFFFAOYSA-N 566.666 7.543 50 10 KKGE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc(O)c4ccccc4n3)c2)C[C@@H](C)O1 2314433121 JYIZKZHGTMQKMH-SZPZYZBQSA-N 592.681 5.050 50 10 KKGE Fc1ccc(Br)c([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314440807 SLNYRGNLDSFRLT-HXUWFJFHSA-N 529.041 7.414 50 10 KKGE Clc1ccc(Br)cc1[C@@H](Br)c1ccc(OCc2ccccc2)cc1Br 2314500463 NPGSAPCECWQUCW-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314591987 IZHNOMGRWBGUMM-RUZDIDTESA-N 518.038 6.112 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)Nc2cccc(C)c2)cc1 2314592049 KTCFDSPBFDXOPN-RUZDIDTESA-N 536.484 6.929 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1Cl 2314617591 IAUJPADTESBGMO-UHFFFAOYSA-N 515.013 5.984 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)cc1OCC 2314634884 ZEZHNMJUDJNFMQ-WJOKGBTCSA-N 559.062 7.145 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 2314720616 UIPKJGGZRSSOIF-AREMUKBSSA-N 514.965 5.639 50 10 KKGE Cc1sc([C@H](Br)c2ccc(Cl)cc2I)c(Br)c1C 2317780047 YRIXUGFWRRYUAE-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccc(Cl)c2)sc(C(=O)OCCOc2ccccc2)c1C 2329687253 UVUPJRBPELFEMT-UHFFFAOYSA-N 539.009 5.668 50 10 KKGE CCOc1cc(C=C(C#N)c2nc3cc(C)ccc3n2C)ccc1OCc1ccc(Br)cc1 2331019255 CZCAAPBCKNHFFA-UHFFFAOYSA-N 502.412 6.686 50 10 KKGE CCc1ccc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(Br)c1 2331299161 BEBRMNKQLJSXPZ-UHFFFAOYSA-N 503.849 7.440 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1 2339673661 CTDLXKYZRFRMIR-LBPRGKRZSA-N 515.840 6.906 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2c(Br)c(Br)nn2C)cc1C 2364233421 ADTQKEDWZZFHIN-SNVBAGLBSA-N 531.868 5.509 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cc(Br)ccc1Cl 2365220531 WBJHVMBCAUBSKK-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE CN(CC[C@@H](Br)c1cccs1)C(=O)c1cc(Br)c(Br)s1 2365989025 PXDCJISCOCBZAK-MRVPVSSYSA-N 502.091 5.933 50 10 KKGE O=C(COc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 812818 YLGRHNDQYCHPJX-TYSXVFSCSA-N 519.351 5.343 50 10 KKGE CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)NNC(=O)COc1ccc(C(C)C)cc1Br 10683708 DHSFQBIPPWJFIN-DYESRHJHSA-N 505.453 5.470 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1Br 14640790 SAIBZIDZMJCESU-GOSISDBHSA-N 505.453 5.762 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C 29492222 AZSNROACCDNKPR-XLNRJJMWSA-N 518.552 5.022 50 10 KKGE O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1)[C@@H](Cl)c1ccccc1 34919439 LSBDIVSPJXIECD-SQHAQQRYSA-N 524.086 5.561 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1 38606305 DLIVFRWPDXPBSI-ZXVVBBHZSA-N 524.621 5.347 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)cc1OC 38681995 IBKOIFHBEMZSOX-MUUNZHRXSA-N 516.569 6.231 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)cc4)ccc32)cc1OCC 38683765 BCSHZSGPYAMRFC-MHZLTWQESA-N 500.551 5.320 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCC(C)C 38684231 HZMNPHHFYQLVMG-PMERELPUSA-N 528.605 5.549 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(C)cc5c4C)ccc32)cc1 38687583 WTJAJKHYNIEUPO-MUUNZHRXSA-N 508.574 6.666 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OC 38700408 RQEUZRVKUJCPLI-NDEPHWFRSA-N 524.573 6.366 50 10 KKGE C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 96838651 XAXXTJXOABBRPQ-HAHDFKILSA-N 513.550 5.855 50 10 KKGE Cc1cc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1cccc(C(F)(F)F)c1 97984693 PMBIRELBAZOLNX-HZHRSRAPSA-N 537.545 7.151 50 10 KKGE CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100147145 UYQPULMHZBSLDS-UHFFFAOYSA-N 564.546 5.420 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1Br 100174823 NZHMDMDUCPZRBV-CQSZACIVSA-N 538.225 5.417 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 100237330 RFSQDFLHRXFLBH-PCYMAAINSA-N 535.855 6.588 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(I)c2)cc1 100237668 LLUQFKCHWQZGPJ-WGNDPNKDSA-N 592.861 5.886 50 10 KKGE C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921716 HQTPQCQTDUHGQA-LJJNOXNQSA-N 552.120 6.179 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 101336725 JNACYYRWHPUHRM-JSKHIKRRSA-N 621.719 5.345 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)cc1 101339241 SNYOWIIVMLNEJN-DFKUXCBWSA-N 632.786 7.284 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101377277 IKIWOKDUDVCOPR-VWLOTQADSA-N 521.367 5.050 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379448 NVJJWDZYDOYERT-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101385342 LQKPTAUAHOPEHY-PGUFJCEWSA-N 604.703 7.589 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc2ccccc12 101392370 WBNOYLJLDAJDRT-DEOSSOPVSA-N 577.876 8.452 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCCC)c(Cl)c4)ccc32)cc1 101392487 NQJOHIDBJFGCEC-HHHXNRCGSA-N 565.453 7.174 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(Br)cc5c4C)ccc32)cc1OC 101392765 ZDCIKXRHKRRMOL-SANMLTNESA-N 575.415 6.348 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2 101595114 IGKQOYJTMOCIRP-OGLMXYFKSA-N 530.806 5.735 50 10 KKGE Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1 103853365 DDTUCLVSTCDQCF-UVHMKAGCSA-N 525.312 5.410 50 10 KKGE N#CC1=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N([C@H]2CCS(=O)(=O)C2)C1=O 150411484 TUUJURAQRRJYMN-XRWMEBAZSA-N 701.204 6.688 50 10 KKGE O=C(COc1ccc(Cl)cc1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150422163 UVSZNQLOEGRQSY-UHFFFAOYSA-N 641.769 5.201 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(I)c2)cc1 150430534 WLUZBLDHWADBCI-MDUPQVTGSA-N 627.306 6.540 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccc3cc(Br)ccc3c2)c1 159674676 LTKCMHVPRGXISH-KRWDZBQOSA-N 533.883 7.612 50 10 KKGE CO[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)O1 199937441 SAPTWRXNHYFAKT-WGKBJPKESA-N 638.997 6.658 50 10 KKGE in-vitro CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1OC 205650697 VQZZOAURJMHWSJ-SLYNQVRGSA-N 566.698 7.399 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780312 VAIWWADJAFUOHD-IFSBUVSJSA-N 648.741 5.172 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@@]1(O)CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 245189612 XDBLYTWRNMYVCA-FDXPDACASA-N 544.937 8.836 50 10 KKGE CCCC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530137 HOLIBVBKAUVEFC-SGTZDYEJSA-N 563.705 9.893 50 10 KKGE biogenic CC(=NNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccc(Br)o2)c1 254396644 YUZNUEOJOPALPG-UHFFFAOYSA-N 530.378 6.072 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 254554770 BLZHVACRXGVHPL-RPZYTUBOSA-N 546.494 6.181 50 10 KKGE CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc2c(c1)Nc1ccccc1S2 254555361 LQZUIDCHMOAEFP-UHFFFAOYSA-N 542.686 6.466 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]12 255970292 DUYDNPDLGLCXCC-VFFBFSRJSA-N 585.298 7.027 50 10 KKGE O=C(NN=C[C@H]1C[C@H]2C[C@H]1[C@](F)(C(F)(F)F)C2(F)F)c1ccc(Oc2ccc(C(=O)NN=C[C@@H]3C[C@H]4C[C@H]3[C@@](F)(C(F)(F)F)C4(F)F)cc2)cc1 575732339 UPUXRHBPMMZVJF-OUVKOWIISA-N 742.561 8.034 50 10 KKGE C[C@@H]1C[C@@H](C)Oc2cccc(P(c3ccccc3)c3ccccc3)c2-c2c(OC3CCCCC3)cccc2O1 642814222 QXKOZOMZJYDNHK-CLJLJLNGSA-N 536.652 7.762 50 10 KKGE CCCCC[C@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@H]1CCCCO1 642881648 OABDXHJQCAVVLW-NDDNKMBSSA-N 709.075 8.802 50 10 KKGE Cc1cc([C@H](Br)c2scc(Br)c2Br)c(C)cc1Br 705437803 JEZZCYYCJRQICR-NSHDSACASA-N 517.906 7.137 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1 725426277 ACAWGDDRASFJOH-NDEPHWFRSA-N 534.628 5.895 50 10 KKGE CO[C@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1083817481 GEYKFJRDKMXPMQ-QJYIQOTESA-N 702.964 7.691 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F 1083899668 KRBXSTNUFJZPAN-UHFFFAOYSA-N 568.621 5.454 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NN=Cc1c(Cl)cccc1Cl 1083965819 NOTUIHYDKIYDRV-UHFFFAOYSA-N 531.031 6.201 50 10 KKGE COc1cc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1083982695 HWUJXIKUKSVTTF-UHFFFAOYSA-N 504.377 5.087 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1ccccc1 1084350409 BJCOWZFQIWHTHH-UHFFFAOYSA-N 557.672 5.394 50 10 KKGE CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 1084407520 BRXRNXKLWTVQPH-MOSHPQCFSA-N 540.255 6.899 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 1084408284 KYNTWXQYVQDIQH-ODLFYWEKSA-N 530.249 7.443 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 1084563267 UONONTDNSPEFOI-UHFFFAOYSA-N 578.834 6.085 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c([N+](=O)[O-])c1 1614297230 AWOLQKUZHQIVRX-PYLJCRHBSA-N 531.613 6.959 50 10 KKGE CCOC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772748298 VXMSSZHOXZMOAZ-UHFFFAOYSA-N 535.600 6.154 50 10 KKGE COc1cc(C=NNC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCCc1ccccc1 1772755945 VPQYVLZVINZQOK-UHFFFAOYSA-N 567.524 6.686 50 10 KKGE CC(C)N(CC[C@H](c1ccccc1)c1cc(COC(=O)/C=C/C(=O)O)ccc1O[Si](C)(C)C(C)(C)C)C(C)C 1848436858 IJGHGYSUWOJUCZ-YJUNHESCSA-N 553.816 7.395 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)cc1 1865682508 QIBZZLMAKAFGAN-AREMUKBSSA-N 508.597 6.262 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 1865692302 AVDXZXARKBRUKN-WJOKGBTCSA-N 548.687 6.697 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Br)cc2)c1 1865694057 OVTGOAZMFNISDC-VWLOTQADSA-N 557.448 6.317 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)c1 1865694714 ZUUALCRARIILGO-AREMUKBSSA-N 527.024 6.267 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696729 JPWGKNCWJJZUSL-LJAQVGFWSA-N 538.623 5.871 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3F)c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 1865697036 VAVHNUJKQZFGLY-HSZRJFAPSA-N 547.384 5.432 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865701168 OFLVHYDHKKQJHH-HHHXNRCGSA-N 527.024 6.284 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705694 CJFXNVCFCJBWLO-NRFANRHFSA-N 538.778 6.626 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1865705776 FRCZRQATWCVFPN-FQEVSTJZSA-N 502.333 5.456 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CC(C)C)ccc1OCC(=O)N(CC)CC 1865706750 DVDGRFWEFUBSPL-MUUNZHRXSA-N 573.694 5.079 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1cccc(OCc2ccccc2)c1 1865712447 YPFMBYHDPWPNAP-SANMLTNESA-N 538.529 6.841 50 10 KKGE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](Cc2ccccn2)c2ccccc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866687506 GBMRNLSUIQCCLQ-KYJUHHDHSA-N 564.667 5.273 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc5c(s4)CCCC5)CC3)n2)cc1 1868320872 QGTAUEREUVWJML-UHFFFAOYSA-N 538.746 7.488 50 10 KKGE CC(C)[C@@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544694 JCWCCAVXCYOTLE-WJOKGBTCSA-N 533.745 8.518 50 10 KKGE Cc1nncn1C1CCN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)CC1 1868545315 VIDQTCRBWOXYKZ-UHFFFAOYSA-N 524.698 6.499 50 10 KKGE COc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)\c2ccccc2)cc1OC 1872752124 ODBJINZQGRPVNW-DKLIELHNSA-N 516.622 8.014 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5c[nH]c6ccccc56)cs4)cc3C2=O)c1 1872752994 CKZJYCACWYTTOW-QYQHSDTDSA-N 516.582 6.659 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1I 1915754240 TXDNPHHOYNBFPK-UHFFFAOYSA-N 551.060 5.870 50 10 KKGE O=C(NN(Cc1ccccc1)Cc1ccccc1)c1cc(Br)ccc1I 1923724530 CNFYIQJFNRNQEY-UHFFFAOYSA-N 521.196 5.401 50 10 KKGE C=C(CBr)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951463261 DGJKSNWYAOXDIE-UHFFFAOYSA-N 689.895 6.256 50 10 KKGE CC(C)[C@H](CBr)N(Cc1ccccc1)Cc1cc(Br)ccc1Br 1982457213 GPFPZETXWXHPJF-IBGZPJMESA-N 504.104 6.633 50 10 KKGE CCc1nc([C@H](Br)c2cc(Br)sc2Br)c(Br)s1 2003567334 DHRKKYRYINCTRW-SSDOTTSWSA-N 524.923 6.539 50 10 KKGE Cc1cnc(Oc2c(I)cc(Cl)cc2I)c(CBr)c1 2103433065 CQMWLFNCRDTPDW-UHFFFAOYSA-N 564.386 5.940 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1O2 2141468806 NVXCNKPVNWZNMG-JVQYTDJQSA-N 538.299 6.584 50 10 KKGE O=S1(=O)CC[C@H]([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472032 ZBSBLXKNRZYLLV-SSDLBLMSSA-N 604.778 5.607 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2[C@H]3CCCCC[C@H]32)c1Br 2206398518 WAADQOJGIXAFIJ-HWNKLIFASA-N 594.805 7.999 50 10 KKGE C[C@@H]1COc2ccc([C@H](Br)c3ccc(Br)cc3I)cc21 2207259167 KEZPKHQPLDZSJU-ABKXIKBNSA-N 507.991 6.034 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc(C)c1Br 2227420206 CZPSLEOSVTXDGV-SNVBAGLBSA-N 552.351 7.790 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)c(F)c1F 2231140857 RVKBVMFDNWCCJS-ZETCQYMHSA-N 539.859 7.107 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Cl)c(Br)cc2F)c1 2232220656 VUQBFGMLAGNDHA-AWEZNQCLSA-N 518.389 6.639 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2cc(Br)c(Cl)cc2C)c1 2232222258 HPWQNVTYDNGPLN-HNNXBMFYSA-N 514.426 6.808 50 10 KKGE ClCc1nc2cc(Br)c(Br)cc2n1CC1(CCOCc2ccccc2)CC1 2234060620 NIOUDZXVGGEFEA-UHFFFAOYSA-N 512.673 6.687 50 10 KKGE C[C@H]1C[C@@H](n2c(CCCl)nc3cc(Br)c(Br)cc32)CN1Cc1ccccc1 2234071168 WIENLJBTRPMQRU-GOEBONIOSA-N 511.689 6.178 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c(C)c1Br 2234468190 BPDOKMARUHVZOC-JTQLQIEISA-N 542.345 8.334 50 10 KKGE COc1cc(Br)c([C@H](Br)c2ccc(Br)cc2I)cc1C 2236012167 UEZVHROWCVSZPB-OAHLLOKOSA-N 574.876 6.618 50 10 KKGE CCc1cc([C@@H](Br)c2cc(Br)ccc2Br)sc1Br 2256050568 BZZJXVAXZBDIMB-LBPRGKRZSA-N 517.906 7.082 50 10 KKGE COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)C(C#N)=Cc1cc(C)n(CCC(C)C)c1C 2297486948 JHPNEERZFLIOCL-UHFFFAOYSA-N 535.563 5.284 50 10 KKGE CCN1CC(=Cc2ccccc2Br)C2=C(C1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2297504905 QNVVTVBFHJPOJL-QFIPXVFZSA-N 527.260 5.692 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)ccc1Br 2303544576 FXBCJMXSDZGCPQ-OAHLLOKOSA-N 520.059 5.312 50 10 KKGE N#CC(=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2313631773 VIRFDXIHMSNBPR-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE N#CC(=Cc1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 2314486208 BSANFZJRVZAXSF-UHFFFAOYSA-N 501.911 5.932 50 10 KKGE N#CC(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(-c2ccc(I)cc2)cs1 2314489590 STRXBKTZFHHKOH-UHFFFAOYSA-N 548.327 7.758 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1C 2314616948 NOHNIYTUVQXFIP-UHFFFAOYSA-N 556.666 6.737 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 2314617176 SDNAXYAKCSHGCR-UHFFFAOYSA-N 582.704 7.352 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1C 2314618527 PARYKNZWIKTAKC-UHFFFAOYSA-N 522.605 5.041 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOCC)C(=O)C(C#N)=C2C)cc1F 2314618889 WEHKOHWTZFUZLM-UHFFFAOYSA-N 556.638 5.876 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314619835 GCCMIMCBVDIISV-UHFFFAOYSA-N 530.983 6.249 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 2314620036 JPJXFASBPZUOQZ-UHFFFAOYSA-N 567.020 6.523 50 10 KKGE C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4Cl)ccc32)c1 2314634744 FAULJAWSNWFJJA-MHZLTWQESA-N 519.384 6.395 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccccc3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 2314640664 IZQXDSIUDQHTNN-HKBQPEDESA-N 500.554 6.103 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 2314737166 PQFDTRVUSNRHNF-UHFFFAOYSA-N 577.475 5.963 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2cc(Br)c(O)c(OC)c2)nc2scc(-c3ccccc3)c2c1=O 2320487660 OWMLLMOUUVIMOT-UHFFFAOYSA-N 585.505 5.030 50 10 KKGE CCCCCCCCCOc1ccc(C=NNC(=O)CCCCCNC(=O)OC(C)(C)C)cc1Cl 2328835322 PSXDAUPAKWYOIO-UHFFFAOYSA-N 510.119 7.005 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Br)cc1 2331029857 ACLOODRHWZNJAE-UHFFFAOYSA-N 502.368 6.140 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3cc(OC)c(OC)cc3n2)ccc1OCc1ccccc1Cl 2331044481 PPLQPTLKVVSGQH-UHFFFAOYSA-N 517.969 6.048 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)n1 2331322913 HWHYTCXOJSVENV-UHFFFAOYSA-N 507.571 5.873 50 10 KKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(C)c1Cl 2331359025 RYRBWRZMIHVUDB-UHFFFAOYSA-N 517.050 8.525 50 10 KKGE CCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCc4ccccc4)cc3)n2)cc1OCCC 2331437834 IHHDANSVSFLUOZ-UHFFFAOYSA-N 510.659 8.031 50 10 KKGE FC1(F)CC[C@@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2335362620 BHMPPWUCYKZYGI-PHDIDXHHSA-N 590.720 7.608 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]2CCCCCC[C@@H]21 2354882461 KAGXHDDHZWTVMR-QFOLPQNPSA-N 505.541 7.969 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(C(C)(C)C)cc1 32519991 HADAQEISDXMCPR-MUFRIFMGSA-N 503.624 5.955 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC=C)c(OC)c2)cc1 38681074 OOIJGJXTIBOEFX-MUUNZHRXSA-N 510.546 5.262 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)c1 38685164 CTSYJHTYRSRADQ-DNOBIOAJSA-N 502.542 5.596 50 10 KKGE Cc1c(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)oc2c1/C(=N/NC(=O)Cc1ccccc1)CCC2 40815850 RJCLYXFBHXCGHX-MHTZHOPKSA-N 503.558 5.745 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 100186589 FMNDPZKVCKZNIX-UHFFFAOYSA-N 550.519 5.246 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccccc1C#N 100235286 LZYAWVAAENUGBU-XGUCDPIRSA-N 576.491 5.991 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1 101339443 YBSJBPFZNLJROE-NDZAJKAJSA-N 542.639 6.429 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 101365155 LXZHODONKHMCHL-NRFANRHFSA-N 516.178 6.193 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)cc1OC 101367930 MJUWNXDZHOIXKD-HHHXNRCGSA-N 563.448 6.464 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)cc1OC 101375364 WDOXDBGQJGLNGT-HHHXNRCGSA-N 502.567 6.075 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 101379231 UNSNSJIRSSYSJK-LJAQVGFWSA-N 621.904 8.062 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2Cl)c1 101382705 LEXBNWFTSFCEAT-WJOKGBTCSA-N 553.014 6.430 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383153 QVMSOOQBYVWBSM-NDEPHWFRSA-N 587.857 7.119 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccc(C)cc1 101387718 BBUSKGFODONFHK-HWGPQJFBSA-N 572.661 7.118 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101398599 QCMAMUABBKBYKT-NDEPHWFRSA-N 583.040 7.710 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(OCc4ccccc4Cl)c(OC)c3)c(C)c2c1 101399190 LMGUBUHHZHBTRK-MGBGTMOVSA-N 621.089 7.982 50 10 KKGE COc1cccc(N/C(SCC(=O)c2ccc3cc(OC)ccc3c2)=C(\C#N)c2nc3ccccc3s2)c1 102929350 ZOCMEAVITZZYBR-GNVQSUKOSA-N 537.666 7.387 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 103879259 FCQFNVCUNAESNF-KEIPNQJHSA-N 564.483 7.558 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCc1ccccc1Cl 103880768 VAQLQQBKTFCQJL-VFLNYLIXSA-N 562.247 7.244 50 10 KKGE Cc1ccc(COc2c(I)cc(/C=N\NC(=O)CC[C@@H](O)c3ccccc3)cc2I)cc1 150386927 NGKDKPVTDDEJTD-PLIDZJGOSA-N 654.286 5.747 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1C 150463651 AEWQKMFQQIPCFJ-QQEKRWHXSA-N 662.768 5.562 50 10 KKGE CCCCCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)cc1OC 206241131 TXZKFFUPNHWPGA-QNGOZBTKSA-N 503.551 5.784 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214304421 QVHHBLNEXKBGIT-XYGWBWBKSA-N 569.618 5.254 50 10 KKGE CCOc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)ccc1OCc1ccc(F)cc1 214390421 UKCWEKNQZGXFSL-MSXFZWOLSA-N 540.547 5.325 50 10 KKGE CC(C)Cc1ccc([C@@H](Br)c2cc(Br)ccc2I)cc1 232655283 RNJUNEBXOYZDAS-QGZVFWFLSA-N 508.035 6.737 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)c1cc(Br)c(Br)s1 234862046 ZRPCWEYBJLJNDJ-LLVKDONJSA-N 537.868 6.668 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253561949 CRPHZGIYTFCONX-USLOJTSYSA-N 607.183 7.252 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1 254511946 COMPZSVHMOKULT-UHFFFAOYSA-N 529.618 5.147 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1 254524445 QLECZDKENZAKKW-UHFFFAOYSA-N 524.573 5.509 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)cc1 254704965 UODOSSWVMBPFKF-JOCHJYFZSA-N 667.621 6.270 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(OCc3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1 254815716 CTDRKYMEXPHTHT-GTZWAOLHSA-N 536.584 5.422 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 254817287 YWBUYKNJJRLQLL-UHFFFAOYSA-N 530.700 6.388 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)ccc2I)c1Br 312467739 BNLOVKJWJKRABV-SECBINFHSA-N 604.849 7.381 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)cc1 1083913652 KZWVFWISGBERHA-XMMPIXPASA-N 763.208 6.600 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)c1cc2cc(Br)ccc2o1 1083990475 WFKDRJKBQPOJLS-UHFFFAOYSA-N 699.093 6.814 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc(F)c1 1084086463 MCTMCQSWUWFCTD-HZHRSRAPSA-N 520.004 5.713 50 10 KKGE Cc1cccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 1084350394 SNMXDCIVJWSQLV-UHFFFAOYSA-N 556.416 5.993 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccc2ccccc2c1 1084362029 QGRVOTJTIIPDGA-PCLIKHOPSA-N 543.450 8.008 50 10 KKGE O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1cccc(Br)c1 1084383130 WNEMYCBUAVIWMF-UHFFFAOYSA-N 544.434 6.205 50 10 KKGE O=C(CSc1nnnn1-c1ccc(Cl)cc1)NN=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 1084507555 GMKGTVVENHWQFR-UHFFFAOYSA-N 554.438 5.354 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc(I)cc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084511610 UXKNOPAVAMWWDS-MHWRWJLKSA-N 675.091 7.327 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)cc1 1084541741 MWPAAURQDXAFOK-UHFFFAOYSA-N 668.389 8.192 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2cncc(Br)c2)CCC3)cc1 1772746062 ASXQBJJPMWEYBP-UHFFFAOYSA-N 523.431 5.811 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(-c4ccccc4)cc2)CCC3)cc1 1772746819 HRFUIQVFVWASBE-UHFFFAOYSA-N 519.645 7.320 50 10 KKGE COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1 1772749337 UBCJDUJFLKQZFH-UHFFFAOYSA-N 507.590 5.838 50 10 KKGE CCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](SC)O[C@@H]([C@H](NC(=O)[C@H]2C[C@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848434907 YQVJBMURKHNOBB-QZLOPDBYSA-N 649.379 6.032 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COS(=O)(=O)O[Si](CC)(CC)CC 1848441145 FNEYJNNIXLTWMH-AREMUKBSSA-N 552.891 7.435 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865690207 LKWHBVTUGYORBB-VWLOTQADSA-N 531.443 7.243 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)C(C#N)=C(N)O2 1865694584 ZRGYFHXAVADPBU-HHHXNRCGSA-N 545.470 6.906 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 1865695099 JTUXXXIBZRMACU-LJAQVGFWSA-N 579.487 7.702 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccccc2)cc1OC 1865695555 DTVZIDHEJUBVCE-GDLZYMKVSA-N 550.659 6.734 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696381 FHGNJFDWZHEUKM-SSEXGKCCSA-N 552.650 6.261 50 10 KKGE COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)c1O 1865696692 QGSGMEPHHZPFEG-JOCHJYFZSA-N 547.384 5.432 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(OC)c2OC)C(C#N)=C(N)O3)cc1 1865700743 CPGJLYKUQHNRCQ-QHCPKHFHSA-N 559.420 5.546 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2Cl)cc1OC 1865708716 DMZXDJCOFTTZDN-HHHXNRCGSA-N 550.059 5.088 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865712199 RYHIPQJOOGKILU-SSEXGKCCSA-N 524.624 6.704 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)CCc2nc(-c3ccc(F)cc3)cs2)cc1 1867065112 GRWDRMQEKQVLJY-XMMPIXPASA-N 548.640 5.960 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(OC(C)=O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178247 LFYKWLHDJODAQW-LJAQVGFWSA-N 582.682 5.620 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)nc(Cc3ccccc3)n2)cc1 1868207153 IDDJLJQSEOHRCN-QFIPXVFZSA-N 507.619 6.107 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2Cc3cc(OC)c(OC)cc3C3(CCCCC3)C2)n1 1868277982 OIVNQICYNYZESV-UHFFFAOYSA-N 515.683 6.595 50 10 KKGE COc1ccccc1[C@H]1c2ccccc2CCN1c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2)n1 1868365181 NGNSVFRZYGMKSQ-JGCGQSQUSA-N 541.680 7.621 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@@H]4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433858 SJQFMEKFLMITEB-SANMLTNESA-N 559.526 7.187 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1)N1C(=O)c2ccccc2C1=O 1872745447 NEMLONQLEFMELT-JRURIKFDSA-N 511.628 6.174 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1OC 1872747996 CCIKZZIPZDCQSM-OFGUMHRGSA-N 510.015 5.365 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)c(Cl)c2)cs1)N1C(=O)c2ccccc2C1=O 1872757391 DASDMTMULNNEDB-GWKSXPLXSA-N 507.999 5.976 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1 1873499490 YFYOJSGEFHPZRS-BFWPAWLWSA-N 506.430 5.670 50 10 KKGE Cl[C@@H](c1sc(Br)cc1Br)c1scc(Br)c1Br 1922889559 XGEZXOFOZZXJNT-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c1Cl 1925568740 LZFLJJAQFKEOBQ-RXMQYKEDSA-N 520.320 7.779 50 10 KKGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N(C)CC1CC(Br)C1 1991471321 NYSQKNZXRPSGHK-YJVWEYQDSA-N 513.476 5.572 50 10 KKGE CC1(C)C[C@H]([C@H](Br)c2c(Br)sc(Br)c2Br)CO1 1997140829 BFXLLLHBIFASHF-FSPLSTOPSA-N 511.899 6.287 50 10 KKGE O=C(c1c(Br)c(Br)cc(Br)c1Br)C1CC(Br)C1 2025780486 TYKQTGXHNKNABA-UHFFFAOYSA-N 554.696 6.093 50 10 KKGE Clc1sc([C@H](Br)c2ccc(Br)cc2I)cc1Br 2026222186 VKBYLAFGSHVALV-SNVBAGLBSA-N 571.297 7.015 50 10 KKGE C[C@]1([C@@H](Br)c2c(Br)sc(Br)c2Br)C[C@@H]1C(F)(F)F 2039188130 RFQIRSJKVYLOFI-PVBTVSRDSA-N 535.843 7.060 50 10 KKGE ClC(c1ccc(Br)cc1Br)c1ccc(Br)cc1Br 2083329223 BCFVCLNZABJSBB-UHFFFAOYSA-N 518.268 7.065 50 10 KKGE CCCc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2086138926 ICBFUQBWUCISOP-CQSZACIVSA-N 500.037 6.552 50 10 KKGE Brc1cc([C@@H](Br)c2cc(Br)c3c(c2)CCO3)c(Br)s1 2090461063 NXISWXDMQSRUGC-NSHDSACASA-N 531.889 6.455 50 10 KKGE COCC12CC([C@@H](Br)c3c(Br)sc(Br)c3Br)(CO1)C2 2141165835 QWSGMHWBJQYMIK-RKWZHAFESA-N 539.909 5.667 50 10 KKGE Fc1ccc(C[C@@H](Br)c2ccc(Br)cc2I)c(F)c1 2142278843 IRVSIBJTZXSJPI-GFCCVEGCSA-N 501.934 6.011 50 10 KKGE COCC(C)(C)N(Cc1ccccc1)S(=O)(=O)c1cc(CBr)cc(C)c1Br 2179825124 DBEGVONDAPJTMQ-UHFFFAOYSA-N 519.299 5.268 50 10 KKGE C[C@@H](c1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccc(CBr)cc1Br 2179858332 NDWCKWASLOKSSG-HNNXBMFYSA-N 529.319 6.358 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@H](OCc3ccccc3)C[C@@H]21 2190536840 JLECTUCXECHNFX-CGBFIWBNSA-N 513.701 6.818 50 10 KKGE COc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)c(Cl)c1Cl 2203425936 LZIQIOVSXDHJMF-LBPRGKRZSA-N 506.392 6.697 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2CC3(C2)CC32CC2)c1Br 2206399951 NKLPVLBRKDRCPY-PSYFVYSPSA-N 592.789 7.753 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)s1 2229318577 WVNRMDQNDCZJFL-VIFPVBQESA-N 528.318 8.026 50 10 KKGE COc1cc([C@H](Br)c2cc(Br)c(Br)cc2F)ccc1Br 2233974873 HOMGHZQKHCKTMJ-AWEZNQCLSA-N 531.839 6.606 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2scc(Br)c2Br)c(C)c1F 2264463170 LXPAANMIRAMFAM-NSHDSACASA-N 535.896 7.276 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Cl)sc1Cl 2272739759 NOTUNUGRYKWYMQ-MRVPVSSYSA-N 515.826 7.342 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(Br)c1Cl 2283551209 IEXCYPHUCPDXSY-LBPRGKRZSA-N 595.294 6.963 50 10 KKGE COc1c([C@H](Br)c2cc(Br)c(Cl)s2)cc(Br)c(C)c1C 2284590923 OMLCNAXKPYDWCE-LBPRGKRZSA-N 503.481 7.036 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2OC)cc1I 2284997853 IRXQHAWPHFRESV-OAHLLOKOSA-N 511.979 5.555 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1cc(Br)c(Cl)s1 2285059646 YEGGSUZRIWEORH-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)ccc1OCc1ccccc1 2293202155 LJERQWQDCKZGQT-UHFFFAOYSA-N 550.467 7.174 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296507158 WBXKWOYQUXEBFR-AREMUKBSSA-N 544.463 7.212 50 10 KKGE COc1cccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3Cl)N(c3ccc(C)cc3)C2=O)c1 2296507245 ZMYPQPRBRNTIIK-DEOSSOPVSA-N 504.011 5.722 50 10 KKGE COc1cccc(NC(SCc2ccccc2Cl)=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)c1 2297414578 NRJDFIBAFLEIAM-UHFFFAOYSA-N 538.069 5.805 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1cc(Cl)c(Br)s1 2301043957 KRYMVTYFNDKEFK-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1Cl 2313518902 YQUGATCHOCAOQR-UHFFFAOYSA-N 613.666 7.385 50 10 KKGE Cc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2314448299 GRVSAEKQNQHPGE-NRFANRHFSA-N 525.078 7.583 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2314453182 UENXMPCCBABGIM-FQEVSTJZSA-N 545.496 7.928 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593186 JAKOOIJZHZZKCZ-VWLOTQADSA-N 501.608 5.038 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314594120 ZIHUSRLKIKDYFR-JOCHJYFZSA-N 528.417 5.338 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 2314611634 YJFVWCWZQREDSA-UHFFFAOYSA-N 577.084 7.020 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 2314617314 VUXZSBLLQSVRDJ-UHFFFAOYSA-N 540.623 5.939 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C)=C(C#N)C1=O 2314618705 SCAUZDHPDSFQOJ-UHFFFAOYSA-N 627.528 7.054 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OC 2314621159 ZXWGECDDCKMVQA-UHFFFAOYSA-N 548.574 5.488 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(CC)cc1Br 2314770725 VQFWSZLBFWXGPH-UHFFFAOYSA-N 553.409 5.211 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 2314785080 CRODRRGHMOBJHP-UHFFFAOYSA-N 533.422 5.924 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc(Nc3ncnc4ccc(Br)cc34)c2)cc1OC 2329702816 TVBXDJKJDOBBQN-UHFFFAOYSA-N 530.382 5.699 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2Cl)cs1 2331271652 WRIRHUKTAJPGPM-DEOSSOPVSA-N 511.990 6.164 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2c[nH]c3ccccc23)cs1 2331349042 LPNAVRMOZCPIQM-SANMLTNESA-N 516.582 5.992 50 10 KKGE FC1(F)CC[C@@H]2[C@@H]([C@@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2358265081 JUKHMESUGPRDKU-BDEPCCISSA-N 558.280 7.308 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Cl)c2cc(I)ccc2Br)c1Br 2362224848 NIUCPJNJDYXDNU-LBPRGKRZSA-N 617.703 7.699 50 10 KKGE Clc1ccc(C[C@H](CBr)Cc2cccc(Br)c2)c(I)c1 2366711387 INSUHPJTCCEDIM-GFCCVEGCSA-N 528.453 6.503 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)c(C)c1 38605533 QHRBESYPZFGGQT-JVWAILMASA-N 506.606 5.661 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)cc1Cl 38687905 CDQUIFUOLPCUSX-JOCHJYFZSA-N 511.759 5.548 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)cc1OC 38688619 BFHJFMPCLZLIPK-AREMUKBSSA-N 510.546 5.813 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1C 40514505 SPIFQOQXAQHMTJ-WPWMEQJKSA-N 514.585 5.649 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccco1)CCC2 40814489 CCISAOHKXVANAN-NDZAJKAJSA-N 503.942 6.349 50 10 KKGE Cc1cc(OCC(=O)NNC(=O)[C@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc(C)c1Cl 40844828 WSJMLOCLRYXPPE-GDLZYMKVSA-N 513.037 6.099 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1F 59305385 UBCZUIPPTOZQDD-CCVNUDIWSA-N 511.347 6.076 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 96401945 CDKNHPLWDBUNSA-WQRHYEAKSA-N 512.349 6.425 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1 100194280 UNCCADBNDNMCMZ-UHFFFAOYSA-N 550.519 5.392 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246702 ILZDMLHLQBHVET-TUJXDINHSA-N 513.619 5.467 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Br)c1 101363491 IVPAKBPTOWASOH-ZHMUPQBKSA-N 542.216 6.593 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101366944 WTCGFWGBTISBGK-BEHVHSHFSA-N 537.399 6.238 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc32)cc1OC 101375635 ARENDTRLYADDDV-GDLZYMKVSA-N 557.603 6.390 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1 101378160 JJFWESCSWGVERY-NDEPHWFRSA-N 562.022 7.035 50 10 KKGE C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(F)cc2)c1 101384309 WWEBOUKYDQUSQO-HZAQMHFWSA-N 554.549 6.135 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 101388321 MRWFUHGIMYIJGF-SSEXGKCCSA-N 587.459 7.408 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388451 VGSBFRPODKXWLI-JGCGQSQUSA-N 601.030 6.659 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccccc1F 101389029 KGLXEYTWVNHAIJ-MQFAKOPTSA-N 598.602 6.534 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H]4COc5ccccc5O4)ccc32)ccc1OCCC(C)C 101393320 NZLNUJSVHQKSRE-FQLXRVMXSA-N 542.588 5.084 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4cc(C)c(Cl)cc4c3C)ccc21 101395085 UARYTNCMCFNWHN-NDEPHWFRSA-N 543.019 7.319 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 101601655 CKNXXONXPJZENP-NDZAJKAJSA-N 552.812 6.242 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1OCc1ccccc1 101727473 GKOGLYBWPWWIEZ-VFLNYLIXSA-N 602.963 7.056 50 10 KKGE C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)c1ccccc1 102834464 QVLFPCKWMMIUQD-GQPXRJKTSA-N 542.614 7.042 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103722601 PLXRYXSHRGLPHS-AIFPUMKXSA-N 561.092 5.344 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 103806213 SIOIWDKATHYPDY-FBLXPYCXSA-N 603.657 5.938 50 10 KKGE C=CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1I 103877819 LODLZTVJQRELEB-NDZAJKAJSA-N 561.423 6.386 50 10 KKGE COc1cc(Br)ccc1[C@H](Br)c1cc(Br)ccc1Br 135308032 BIYKGVWCVRSODM-AWEZNQCLSA-N 513.849 6.467 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1Cl 150461507 CWUWHLDWHGONSQ-YTTGMZPUSA-N 679.984 8.851 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485433 WMQSTAUPQXKXDX-PGUFJCEWSA-N 637.519 8.100 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 150485862 YGAJSSVKTSJCCA-KGMZSHBCSA-N 645.539 7.734 50 10 KKGE O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(I)cc1)c1cc2cc(Br)ccc2o1 164629281 MNLBKAIFSUCUSX-KKMKTNMSSA-N 654.096 6.905 50 10 KKGE O=C(O)c1ccc(COc2c(I)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)cc2I)cc1 164644120 VQIBLCFZRPNQCL-IPBVOBEMSA-N 745.105 6.446 50 10 KKGE c1ccc(C(/C(=C(/c2ccccc2)P(c2ccccc2)c2ccccc2)c2ccccc2)=C(\c2ccccc2)P(c2ccccc2)c2ccccc2)cc1 169673370 HTCHLXAATFQBFG-XXPLXOPUSA-N 726.840 12.389 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1n1ccc(=O)[nH]c1=O 195782138 BEBBEBKQPQRPHS-FLBADVGZSA-N 584.789 6.223 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2OC)ccc1OCCC(C)C 207167898 SKAGNYDAWPYNLM-GXDFGCTRSA-N 506.599 5.179 50 10 KKGE O=C(COc1ccccc1-c1ccccc1)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1 252637388 XSOWHOHEIIQLAI-UHFFFAOYSA-N 598.247 6.220 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 253578868 YWLQKPHLAKPVKS-UZWMFBFFSA-N 524.600 5.326 50 10 KKGE C=CCOc1ccc(Br)cc1C(=O)NN=Cc1ccccc1OC(=O)c1ccc(OC)cc1 254304108 SVAWODMFRDMPMZ-UHFFFAOYSA-N 509.356 5.006 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 254345056 VAIGPWMANJKFFH-UHFFFAOYSA-N 557.628 5.178 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 254631534 UVXSYBZRCYHLFW-UHFFFAOYSA-N 503.647 5.255 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 256018207 NPQVLLZEDSVWMS-SZIQQBSTSA-N 536.548 6.634 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Cl)cc1 256028452 MXQDKTLLCBCKTC-UHFFFAOYSA-N 525.055 5.689 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@H](c2cc(Br)ccc2Cl)C1 394641278 TYXGZVMKTFUGBN-RHSMWYFYSA-N 534.619 5.890 50 10 KKGE Clc1ccccc1C[C@H](Br)c1ccc(I)c(Br)c1 721571720 IIEROESSQBANBL-NSHDSACASA-N 500.399 6.386 50 10 KKGE O=C(NN=Cc1cc(Br)cc(Br)c1O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 1082989076 CYCXNYZFHHBLFQ-LLNBSCJPSA-N 569.253 5.395 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1 1084193137 ATRKBSNPWFOMAH-UHFFFAOYSA-N 566.952 7.875 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1 1084218676 GOWROEYUBMDUIR-UCQKPKSFSA-N 537.616 7.267 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(I)c2)cc1 1084232397 IGRSRKMCCLOXOQ-UHFFFAOYSA-N 737.379 8.005 50 10 KKGE CCOc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1OCc1cccc2ccccc12 1084367565 FDTKTNBFPAKJMP-UHFFFAOYSA-N 555.634 6.436 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)cc(I)c2O)cc1 1084375815 AZEJYTPDZJJQPG-UHFFFAOYSA-N 600.254 6.289 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)cc(Cl)c1 1084494298 XKBGQXYZSQICHZ-UHFFFAOYSA-N 600.484 5.655 50 10 KKGE CCc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(C)cc1 1084507504 MQBPMYQBTJYQON-UHFFFAOYSA-N 542.705 5.619 50 10 KKGE O=C(NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21)c1cc2ccccc2cc1O 1084566747 KCOGURNCAXOAPF-UHFFFAOYSA-N 518.342 5.128 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 1084588465 RBYUDOWLAVQTOG-UHFFFAOYSA-N 677.566 6.859 50 10 KKGE CN1C2=C(C#N)C(C#N)(C#N)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2)n2c(/N=C/c3ccccc3)c(C#N)c(C#N)c21 1615949409 OSFOODOASZLNGG-BOKPRCFUSA-N 555.605 5.804 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)NN(c4ccccc4)c4ccccc4)c(C)c32)cc1 1772746252 SUWBDQZJCPOYQR-UHFFFAOYSA-N 508.578 5.550 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2 1772751124 IKEJCDVRVZWVFV-UHFFFAOYSA-N 532.597 5.229 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NN=Cc1cn(Cc2ccccc2)c2ccccc12 1772755065 KIAUPONFECTDIX-UHFFFAOYSA-N 517.079 6.709 50 10 KKGE CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1857657182 LMCNYCSDWPLKPZ-AUZYXSGWSA-N 505.227 9.203 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)cc1OCC 1865687385 QBBVFUNDRTVTFV-LJAQVGFWSA-N 568.649 6.542 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)cc1OCC 1865691104 JGXDKLVMWTURRH-GDLZYMKVSA-N 552.650 6.923 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc3ccccc23)cc1OCC 1865691312 PFRNYRGTBTUICN-PMERELPUSA-N 542.639 7.098 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695945 VQAYZSIPTJJICL-MUUNZHRXSA-N 525.052 6.643 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2ccc(OCc4ccccc4C)cc2)C(C#N)=C(N)O3)cc1 1865702916 IARFHUHUZIRJSK-GDLZYMKVSA-N 541.611 6.049 50 10 KKGE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703170 OWNYMDXYIOSCPG-PMERELPUSA-N 534.660 6.388 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 1865704896 HGOWOFUMFNWVCB-HSZRJFAPSA-N 530.506 5.696 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1 1865706615 AQYYZQXXSWVYGE-MHZLTWQESA-N 540.465 6.188 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865706705 CXQAGQUPMRKTGY-SANMLTNESA-N 551.002 6.287 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)cc1 1865709901 JOOGUAVRSBNBRD-QHCPKHFHSA-N 529.394 5.537 50 10 KKGE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)N[C@@H](C(=O)Nc1ccc(SC#N)cc1)c1ccccc1 1866659242 CUZQRWYNGGTYOL-RUZDIDTESA-N 500.555 5.401 50 10 KKGE CSCC[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866797882 CVORXBIWUMHMSY-HXUWFJFHSA-N 534.501 5.252 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](C(=O)CCCc4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434234 YTTKPUWGLQMUSM-RUZDIDTESA-N 568.146 7.922 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccc(F)cc3)n2)cc1 1868456507 QJEKTXZFJPYMEH-OAQYLSRUSA-N 559.692 6.290 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(CCCOC)C4=O)n2)cc1 1872744863 LWRZFFSUVGTTME-BZZOAKBMSA-N 501.608 5.735 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)c1ncc(C(F)(F)F)cc1I 1915765467 KFASEYIWOQNHJZ-UHFFFAOYSA-N 513.139 5.885 50 10 KKGE FC(F)(F)CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 1924571827 UVNFURCWQSQIPW-SSDOTTSWSA-N 549.870 7.594 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CC[C@H]3C[C@H]2CO3)c1Br 1924616273 NCKUKYKAVKQTTF-XZMZPDFPSA-N 523.910 6.287 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1I 1925583285 CAGJMZUHJNVVIX-MRVPVSSYSA-N 540.873 7.215 50 10 KKGE FC(F)(F)C[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025779919 NBHMUEZFCMNITP-YFKPBYRVSA-N 568.645 7.125 50 10 KKGE O=C(N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[S@@](=O)c1cccc2ccccc12)c1ccccc1P(c1ccccc1)c1ccccc1 2065314078 FMGULRPHZXDXSH-DEAAAOJNSA-N 659.791 8.618 50 10 KKGE Cl[C@@H](c1cc(Br)ccc1Br)c1ccc(Br)cc1I 2086149655 QHMKGKFIKNUCOO-CYBMUJFWSA-N 565.268 6.907 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC3(CC3)CO2)c1Br 2141468151 HAHWYMSFWHRWBK-QPUJVOFHSA-N 582.750 6.742 50 10 KKGE Cc1cc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)sc1Cl 2141470752 KLNZUXVJBPOWSP-NSHDSACASA-N 572.769 8.088 50 10 KKGE CC[C@@H](Br)[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1I 2207270489 BPGBJJVYRVMYOY-OCCSQVGLSA-N 515.027 5.222 50 10 KKGE CCCN1C[C@@H](Br)[C@@H](c2sc(Br)c(Br)c2Br)C1 2216423024 ZTFDRYXBZNIORD-NKWVEPMBSA-N 510.915 5.608 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)sc(Br)c2Cl)c(C)c1Br 2218965225 NKPWSMYVIOSJKM-ZETCQYMHSA-N 558.380 7.852 50 10 KKGE Brc1sc(CC[C@H](Br)c2ccccc2)c(Br)c1Br 2222474750 POEZOSWCZZDWIX-VIFPVBQESA-N 517.906 7.104 50 10 KKGE C[C@H](Cl)c1nc2cc(Br)c(Br)cc2n1[C@H]1CN(Cc2ccccc2)C[C@H]1C 2234059231 SLCREIPUKQPHTF-CKNLXJGOSA-N 511.689 6.554 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(I)c2)cc1I 2257370048 PVCCRALADNDCLF-AWEZNQCLSA-N 528.953 5.389 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Cl)c1csc(I)c1 2260006760 WKYMBPKLPUXWNJ-JTQLQIEISA-N 528.381 6.484 50 10 KKGE Clc1sc([C@H](Br)Cc2cc(Br)cc(Br)c2)cc1Br 2263449604 BBOWVPQEINJJEO-SECBINFHSA-N 538.324 7.368 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)cc1I 2288344028 FHTCXJYRSJHRIM-NSHDSACASA-N 645.699 7.341 50 10 KKGE CC(NNC(=O)c1ccc(Cl)c(Cl)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2293934533 ASOVQUPKYROEFJ-UHFFFAOYSA-N 522.417 5.563 50 10 KKGE CCOC(=O)O[C@@]1(C(=O)CCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 2294815234 ZQAGWXUKPIARBB-BGISQPRESA-N 503.850 5.593 50 10 KKGE CCCc1cc(C(=O)OC)c(NC(=O)C(C#N)=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)s1 2295669853 AKYILAUIVSOMMW-UHFFFAOYSA-N 552.483 7.343 50 10 KKGE N#CC(=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12 2295669895 HJRIBWISLOAVGE-UHFFFAOYSA-N 506.968 7.090 50 10 KKGE COc1ccc(CCNC(=O)C(C#N)=C2S[C@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccccc2)cc1 2296506777 DVLOEBYJHOSBNV-HHHXNRCGSA-N 511.647 5.097 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)cc1 2296506834 HCSKEFAIMBARNW-NDEPHWFRSA-N 547.636 6.081 50 10 KKGE O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2296733644 RTAHZMDDKRIJOR-UHFFFAOYSA-N 514.925 5.429 50 10 KKGE Cc1nc(Br)c([C@@H](Br)c2sc(Br)cc2Br)n1C 2300270567 YHQLXQDCDCHVAE-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE CCOc1cccc(NC(=O)C(C#N)=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 2313562596 YOIUFXOIIDKSOV-UHFFFAOYSA-N 503.805 6.791 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(C)cc1 2313567715 NBYKYKVXGMMMBK-UHFFFAOYSA-N 507.634 5.567 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 2313630569 OLZXPIXBXLTLSP-UHFFFAOYSA-N 531.468 7.354 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)cc1 2314476011 HGJKUBJSEBHACY-JWQCQUIFSA-N 609.752 6.150 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(=O)Nc1nccs1 2314489154 OUWIEFDSGCOEMD-UHFFFAOYSA-N 536.919 5.387 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592781 BNNBVQFTDPZLMB-CJAUYULYSA-N 518.038 5.652 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C(C)C)cc1 2314593979 WXDCPQLMYXSRCW-QFIPXVFZSA-N 500.451 5.845 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OC(=O)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 2314720456 PKWMBIJSSQOWGF-PSXMRANNSA-N 570.088 8.934 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)nc(O)c2cc1OC 2331044385 BEUJXRSPHJLPGP-UHFFFAOYSA-N 548.393 5.767 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(O)=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2331335893 WEFJDYKFMYWCLT-LLVKDONJSA-N 505.777 6.215 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)Cc3ccc(OCc4ccccc4)cc3)n2)c(OCC)c1 2331386923 CWLYUBSFYTXZSN-UHFFFAOYSA-N 512.631 7.222 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(C=C(C#N)c2nc(-c3cccc(OC)c3)cs2)cc1OC 2331421433 PLTGGXCUWXUASK-UHFFFAOYSA-N 505.640 5.919 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)cc1 2331460674 SNQGVPZMTHKPPE-UHFFFAOYSA-N 505.596 6.903 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n2)c1 2331470134 LTWWCDGKCJLALQ-UHFFFAOYSA-N 517.050 7.904 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)c(OC)c1 2331473400 SZLVJVAUWUBUMD-UHFFFAOYSA-N 512.631 6.912 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)s1 2335302375 PMNATIFVTATZFE-JTQLQIEISA-N 511.863 7.512 50 10 KKGE Cc1cccc(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360494079 TXZIFXPJIMWUEP-CYBMUJFWSA-N 505.834 7.450 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)cc(Br)c2)c1Br 2362220368 JELBMLYQOYBSNC-LLVKDONJSA-N 615.154 8.013 50 10 KKGE Cc1cc([C@@H](Br)c2c(C)cc(Br)c(F)c2Br)ccc1Br 2365182185 ZCZDAQMYZDXDRB-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 3770839 MWPYQOQGTGYKGN-LGJNPRDNSA-N 524.327 5.455 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1C 38651526 DLCCBMLYUIKKLI-VWLOTQADSA-N 505.368 5.269 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)cc1 38685418 SCXHCFCMSGBJCM-GDLZYMKVSA-N 512.606 6.075 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)cc1OCC 38700531 GBJWQDVAWLNJFN-HHHXNRCGSA-N 510.546 5.976 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 40530046 PLMQKGKPLOWEAD-SSEXGKCCSA-N 526.633 6.728 50 10 KKGE CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Br)c1 100288159 BGVOMGLDAINKQM-LJQANCHMSA-N 580.523 6.352 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243435 DTITZBXYNMIWCJ-MGLWIZMLSA-N 574.544 6.876 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C(C)C)cc1 101245054 PTDDLZJBYPVOAS-TUJXDINHSA-N 584.063 7.856 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246211 BAZFUYDILTWCCY-BUPOLARFSA-N 525.674 6.582 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1ccccc1Cl 101362890 RYKJUOBOGUKFLB-QGZVFWFLSA-N 522.813 5.238 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 101386928 AKVGMKUCHMGDNP-JGCGQSQUSA-N 566.585 5.788 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1 101396988 DZADMNMEUIQTPW-SSEXGKCCSA-N 536.628 7.310 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613798 BKKSZIFYIBOZNE-HXPUERGNSA-N 590.079 8.423 50 10 KKGE COc1cc(/C=N/NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OCc1c(Cl)cccc1Cl 101767747 IYZQBTKYABADAB-XHUAFICTSA-N 535.855 6.769 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Br)cc1 103741527 AACIZYHJMFCCMW-FNBPXTNNSA-N 538.854 6.167 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)c1 103861053 FSOMMKPOTRJOFC-QRVIBDJDSA-N 590.315 8.106 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103880698 HJXXMIVZKVFQOK-MZJWZYIUSA-N 538.354 5.845 50 10 KKGE O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)N(Cc2ccc(F)cc2)c2ccc(Br)cc21 104993336 VWTAUBNKRAGXDF-FAJYDZGRSA-N 546.849 5.542 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2 105151658 PEHZBTITHRYUPA-STBIYBPSSA-N 604.562 5.481 50 10 KKGE Fc1ccc(Br)c([C@@H](Br)c2cc(Br)c(Br)s2)c1 128264378 UMKHQGDOXPWOGX-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 150382968 KCCPSVMJJPEOPO-MGCJZSHXSA-N 684.268 5.137 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150422128 MWXAOOPODWYOIB-UHFFFAOYSA-N 736.280 6.463 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150483122 VLTMQUZRFGKOSP-MHZLTWQESA-N 633.940 8.878 50 10 KKGE CC1(C)[C@@H](Oc2c(I)cc(I)cc2I)C[C@H]1Br 155255374 PEJVDJROFJDRAU-ZJUUUORDSA-N 632.843 5.441 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 164016557 KJAJGHQLNCYHOU-SAEPALGJSA-N 733.659 8.305 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 164018830 ZCKMNYJGPNECGU-AABVJFSESA-N 690.675 6.687 50 10 KKGE CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CC(=C(F)F)[C@@]2(C)CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]12 203903719 USJKYXKINVXLRD-PIFNKVQOSA-N 580.876 10.691 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 206734979 ZYZBGSNOGHNDGX-UQQQWYQISA-N 522.557 5.553 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)CC)C(=O)C(C#N)=C2C)cc1F 214257401 IRARERWJQMJUKT-OQLNFPPLSA-N 512.585 5.858 50 10 KKGE O=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(CBr)cc1 228123983 VCDYSNWCJPHLGD-UHFFFAOYSA-N 526.848 6.121 50 10 KKGE COc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1Br 234995450 AWTOHLGBIWADFT-AWEZNQCLSA-N 560.849 6.309 50 10 KKGE COc1cc(C=NNC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)ccc1OC(=O)c1ccccc1Cl 252603145 FOBILCPDCQWQQA-UHFFFAOYSA-N 652.767 7.054 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3C(F)(F)F)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254289771 JSQAKEDAEVPJCG-UHFFFAOYSA-N 567.637 6.502 50 10 KKGE Cc1ccccc1OCC(=O)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1I 254874943 TZHBDYOYTSVGIC-UHFFFAOYSA-N 672.111 5.873 50 10 KKGE CCOC(C)(C)ON=C1[C@H](C)[C@@H](O)[C@@](C)(O)[C@@H](CC)OC(=O)[C@@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O[Si](C)(C)C)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O[Si](C)(C)C)[C@@](C)(OC)C[C@H]1C 256001176 SFTHBPKNOPSKEE-QLGUJGSCSA-N 993.479 7.734 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc(CCO[Si](C)(C)C(C)(C)C)c(O)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575183978 XETWMWONKLJESD-QUZMAVINSA-N 889.116 9.488 50 10 KKGE O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237178 AUBCWFYFBFCJBN-VWLOTQADSA-N 589.979 7.419 50 10 KKGE CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C[C@H]3OCOC 725239674 VAFNSECFYVEGJC-JGZAKNQQSA-N 688.082 8.352 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccccc2O)cc1)S(=O)(=O)c1ccccc1 725392861 JHAIEOZSVZWQJA-UHFFFAOYSA-N 534.037 5.513 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)CC[C@H](O)c3ccccc3)cc2I)c1 725400326 WWVSFCDYGMGHGO-QHCPKHFHSA-N 528.390 5.143 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)cc1 1083957437 JXRKGMTXOXBORY-OOAXWGSJSA-N 524.580 7.574 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1083981449 LEIKCXGLMHHAOT-LICLKQGHSA-N 536.242 7.824 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 1084181673 IRMOSWOVXZCWRU-UHFFFAOYSA-N 532.021 6.883 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OCC 1084320271 HMKMHACLQJRECD-UHFFFAOYSA-N 572.083 5.048 50 10 KKGE O=C(Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4cc5ccccc5cc4O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 1084502030 FKSAEJHNGVZHSK-UHFFFAOYSA-N 654.129 7.884 50 10 KKGE COc1cc(C(=O)Oc2ccc(C=NNC(=O)CCCCCNC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 1772720833 ZCYNYKVFGIRJOQ-UHFFFAOYSA-N 582.053 5.026 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772748522 ARRQSNVZNAJIOD-UHFFFAOYSA-N 536.415 6.536 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772749307 ZMXZCCPRFAVAPW-CQSZACIVSA-N 506.946 5.211 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 1772755112 NWEZDTGQSCBGIG-UHFFFAOYSA-N 580.175 7.591 50 10 KKGE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865687897 CTHXKCAVZRVILN-YTTGMZPUSA-N 562.714 7.005 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688567 VGIADPMSMIZIRC-LJAQVGFWSA-N 538.623 5.871 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc(Br)c1O 1865688771 AEYKCFMMZOEWFQ-LJQANCHMSA-N 557.326 5.739 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865690839 CKJQCCZCMXBRBB-OAQYLSRUSA-N 516.495 5.495 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cccc(F)c2)cc1OCC 1865691666 YCYGKWIRYIJDID-HHHXNRCGSA-N 518.633 6.209 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OC 1865694987 HFUMUWVHWNQGOL-QFIPXVFZSA-N 506.484 5.670 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705235 PDHLPDORWKTMHW-NDEPHWFRSA-N 559.025 6.689 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 1865710839 JQIMKLMVRUVBRT-QFIPXVFZSA-N 541.360 7.142 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866727133 CKMNDFGGTHQANV-IZZNHLLZSA-N 545.636 5.420 50 10 KKGE Cn1c(SCCC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)nnc1-c1ccccc1 1867074423 BOGZVDQHDMFWNB-VWLOTQADSA-N 588.784 5.594 50 10 KKGE COc1ccc([C@@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1OC 1868301074 KDBCQHFHCGBZKK-BVAGGSTKSA-N 553.688 6.488 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC[C@H](c4ccc5c(c4)OCO5)C3)nc(-c3ccccc3Cl)n2)cc1 1868415561 YZIAKSJLBOYEIV-IBGZPJMESA-N 528.037 6.836 50 10 KKGE CCOc1cc(/C(O)=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OCC)c1OCC 1872745865 HDWAFRMJYSDVRO-PYCFMQQDSA-N 515.429 6.719 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc(OC)cc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872755509 QZUMLGRSERKHHU-SSQDWCNBSA-N 503.580 5.331 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(Cl)cc2Br)c1Br 1922897864 QGLJQLZNIBPJHV-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)s1 1924579270 CKPJMLPLYJQTRJ-SSDOTTSWSA-N 509.908 6.890 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2cccc3c2CCCC3)c1Br 1924615858 HIIDHIZNCSULRU-GFCCVEGCSA-N 543.944 7.399 50 10 KKGE C=C[Si](C)(C)O[Si@@]12O[Si](C3CCCC3)(C3CCCC3)O[Si@@](C3CCCC3)(O[Si@@]3(O)O[Si](C4CCCC4)(C4CCCC4)O[Si@](O)(O[Si](C4CCCC4)(C4CCCC4)O1)O3)O2 1933242744 LOBZRAJXPONROZ-LXRKYHGUSA-N 959.697 10.290 50 10 KKGE Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H](NC(=O)CCCCCOCCCCCOCCCCCCCl)C(C)(C)C)cc1 2054724652 DVLICOWBWULAJJ-UEMWQVMZSA-N 749.459 6.791 50 10 KKGE CC(C)(C)OC(=O)NCCSSCCN[C@@H]1CCCc2sc(I)cc21 2061264121 LXTLACTWSXYRDH-CYBMUJFWSA-N 514.520 5.226 50 10 KKGE Cc1cc(Cl)c(Br)cc1[C@@H](Br)c1csc(Br)c1Br 2082384828 LGBSVNRKPSOENB-SNVBAGLBSA-N 538.324 7.482 50 10 KKGE C[C@H](C1CCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085492619 OQSUGFJTYFMGSD-UANNBLPKSA-N 524.316 7.453 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141469938 XSLMRXCDYWGPHT-LBPRGKRZSA-N 576.746 7.529 50 10 KKGE Brc1sc(C[C@H](Br)c2cccs2)c(Br)c1Br 2212199650 DZOLRWVTTKKUNF-YFKPBYRVSA-N 509.908 6.776 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cccc(F)c1I 2218810798 RHQILTJESCQBRJ-NSHDSACASA-N 504.000 6.355 50 10 KKGE CCOCc1cc(Br)c([C@@H](Cl)c2cc(Br)ccc2Br)s1 2233008700 JYUWFRLEKHLKMJ-ZDUSSCGKSA-N 503.481 6.900 50 10 KKGE Cc1sc([C@H](Br)c2c(F)cccc2I)c(Br)c1C 2255956754 GRPZQKOXZHQEIH-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1Br 2260072410 YGUXCUCZUIBWAQ-SECBINFHSA-N 525.832 6.798 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2293198298 ROCFEKBJOUIQPN-JOCHJYFZSA-N 556.844 6.307 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=CC(Cl)=Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2293701507 SUNLLBUBWYDHJK-UHFFFAOYSA-N 522.461 6.370 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1c(C)nsc1Br 2295265005 MAZHGNXBZQHWQL-LLVKDONJSA-N 504.469 6.431 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 2297322761 BDJAOKYULIOBJM-UHFFFAOYSA-N 604.707 6.072 50 10 KKGE COc1cc(C=C(C#N)C(=O)NCc2ccccc2)cc(I)c1OCc1ccc(C)cc1 2313518555 IYHLJEYLVMFLPC-UHFFFAOYSA-N 538.385 5.411 50 10 KKGE CCOC(=O)c1ccc(-c2ccc(C=C(C#N)c3nc(-c4ccc(C)cc4)c(NC(=O)C4=S=CC=C4)s3)o2)cc1 2314433118 JWIKTWQVTHDNQO-UHFFFAOYSA-N 565.676 6.836 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 2314591851 GEEDCSNRYXPQSC-LJAQVGFWSA-N 523.702 7.307 50 10 KKGE C=CCn1c(SCC(=O)NN=Cc2ccc(C(C)(C)C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2320482181 QKEHGRWMJNXGMB-UHFFFAOYSA-N 530.719 6.159 50 10 KKGE CCOc1ccc(C=CC(=O)NNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2C)cc1OC 2321176181 OYKJLEWXLSINSU-UHFFFAOYSA-N 500.382 5.246 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCCOC)cc1 2331123549 MZYYTDMIVMLKPG-UHFFFAOYSA-N 510.999 5.816 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)ccc4OC)cs3)CC2=O)cc1 2331323619 LQVOKKMIDSVAOE-GOSISDBHSA-N 503.580 5.150 50 10 KKGE COc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc(C(C)C)cc3)cs2)c2ccccc2)cc1OC 2331340867 WQQLYQWNVQLPKZ-UHFFFAOYSA-N 508.643 7.984 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336047043 JCLURDSLEIIQLM-NRFANRHFSA-N 541.077 7.284 50 10 KKGE Fc1cc(Cl)c([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc1Br 2336079422 GETHXMFYAMJGDA-HXUWFJFHSA-N 563.486 8.067 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cc(I)ccc1Br 2360493281 PKXOYDLQWCZXQL-NSHDSACASA-N 617.703 7.746 50 10 KKGE Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1cc(Cl)ccc1Cl 2727459 DDIDIRIVRBTKBH-LVXARBLLSA-N 519.501 7.496 50 10 KKGE O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NN=Cc1cccc(OCc2ccccc2)c1 8431287 BANNFMYEVXLOBY-UHFFFAOYSA-N 541.076 6.559 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 35447356 ZUNFCPWWZHEKSI-XLNRJJMWSA-N 527.024 6.926 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 38658195 XXUQBXVCZXCVJT-LJAQVGFWSA-N 510.590 5.751 50 10 KKGE COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(OC)c1 40868091 UZIRMHJCEJNBNL-DDPFQKFDSA-N 513.546 5.290 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)ccc1OCc1c(Cl)cccc1Cl 40911625 ADERSPYTQSOHJJ-IPPBACCNSA-N 501.410 6.234 50 10 KKGE CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 97499144 VCBSWEZQPXJQSX-NDENLUEZSA-N 507.384 5.981 50 10 KKGE Cc1ccc(N[C@H](NC(=O)[C@@H](C#N)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(Cl)(Cl)Cl)cc1 97983092 ITOZWTVMTPIRSL-XRKRLSELSA-O 581.891 6.106 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 100231968 ZYZGEGSPGOIJAE-XZJBEKIMSA-N 529.406 5.530 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccc2ccccc2c1 100232079 QKTLGASZHMSDDW-KPHTWCJLSA-N 561.476 6.544 50 10 KKGE CCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCC)cc1 100959250 XLAWANGVGCUYCB-UHFFFAOYSA-N 515.783 8.228 50 10 KKGE biogenic COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 101115410 ZFJOJQSYRXXIHF-SSZFMOIBSA-N 521.360 5.656 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 101241844 MALBUDAHMRPEGX-YWDBVWQESA-N 502.423 5.121 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243643 CDIQGLBDCVAPNZ-IDCMLALUSA-N 552.483 6.306 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 101334907 RAZDCEMNJFRBDO-NDZAJKAJSA-N 520.592 6.485 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1F 101334938 XZJSHWZLCBMPBI-MFKUBSTISA-N 518.548 5.479 50 10 KKGE COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)c1 101367256 IHNZLKHNQFSCOJ-PMERELPUSA-N 534.568 5.720 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)ccc1OCC(C)C 101374349 NLQKVQFCZWMORH-HKBQPEDESA-N 556.659 6.230 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101374983 UFNXRWDXVKICCV-NDEPHWFRSA-N 567.469 7.254 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCCC(C)C 101375062 YVYUYBVFSLIPNW-WRGVRERRSA-N 560.622 6.240 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc(OC)c1OC 101383270 IYCIHOGFKCBJNV-PMERELPUSA-N 599.039 6.382 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccccc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399798 FETMVRYVCWGUMN-YTTGMZPUSA-N 607.062 7.810 50 10 KKGE COc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 102006475 ISGHPRCRZIDFKU-FXMZOFOKSA-N 566.919 7.087 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 103741472 YPGNSALMTXCFIU-FNBPXTNNSA-N 573.299 6.821 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 103878980 UUBSTPVLRUAOKM-QNKGDIEWSA-N 530.584 6.704 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1OCC 150468483 UVFGHYIBAWSMKK-XMMPIXPASA-N 700.830 9.124 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 164013219 DTOTUNJLQVBYHR-AMVVHIIESA-N 669.613 5.737 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCc1ccccc1F 205668883 WDOKGWRQQUUWEI-SQMNPIEXSA-N 604.678 7.548 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 214289486 HTKNHDSYQUCALV-USHMODERSA-N 538.648 5.593 50 10 KKGE CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214349445 HKPMSHSSDOFPGF-GJDRTLBCSA-N 554.650 6.006 50 10 KKGE Brc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)c(Br)c1 232481741 ZOPIESLGPRCQDN-SNVBAGLBSA-N 568.748 7.282 50 10 KKGE Cc1cccc([C@@H](Br)c2cc(Br)c(Cl)s2)c1I 235927736 OZRNPOODTCRDSQ-SNVBAGLBSA-N 506.428 6.561 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 252611778 INPLUNUPIFVKPZ-MSRJNXITSA-N 564.440 5.125 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1 254708411 FWBTYDOSEKKEJJ-UHFFFAOYSA-N 530.584 5.733 50 10 KKGE C=CCn1c(CNc2cccc3ccccc23)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(Br)c1 254734063 QJYQRHDUZQHUAS-SFHVURJKSA-N 549.498 5.623 50 10 KKGE O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Br)cc1 254845058 GQIFSYGVTGISMB-UHFFFAOYSA-N 521.478 6.959 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)sc2c1CC[C@@H](C)C2 254867932 HGLRGVLUGNVIGR-LJQANCHMSA-N 613.692 5.519 50 10 KKGE COc1cc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)ccc1OCc1ccc(C)cc1 254870217 QJGHIUZOOYQSLB-UHFFFAOYSA-N 552.656 5.480 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(N=Nc4ccccc4)cc3)c(C)c21 256018197 ILPVESWIHYJHRN-GXBQEJFZSA-N 505.578 7.035 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CBr)[C@@H](c2ccccc2I)C1 382688810 OJUIMJVWTKHPTQ-WBVHZDCISA-N 500.174 5.038 50 10 KKGE Cn1ncc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)c1I 404945435 OQJGTOGSGDCZLR-SSDOTTSWSA-N 514.803 6.123 50 10 KKGE CNc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 616584485 GPLFLRPEMRRWIR-VYVJSDHISA-N 898.131 9.843 50 10 KKGE Cc1ccccc1P(c1ccccc1C)c1cccc2c1O[C@H]1[C@@H](CC[C@@H]3Cc4cccc(P(c5ccccc5C)c5ccccc5C)c4O[C@@H]13)C2 888084729 IGTZUTKXXMKKNV-YWWRAUMJSA-N 716.842 8.770 50 10 KKGE CC[C@H]1C=C(C)C[C@@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1083819341 KASDHRXLYQOAKZ-IMHONWNESA-N 810.466 5.719 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)c2ccc(C)cc2)cc1 1083954583 GKIPKLBZOWDBGU-UHFFFAOYSA-N 572.731 5.764 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3C)S(=O)(=O)c3ccccc3)c2C)c1 1084148839 WJOIUMQQQVDSQQ-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE COc1ccc(CSCC(=O)NN=Cc2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1 1084495953 LYHOMKBBWCPSLL-UHFFFAOYSA-N 514.489 5.866 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 1084497750 KFATXVBXNWRGRQ-KGENOOAVSA-N 552.414 7.153 50 10 KKGE Cc1cc(C=NNC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 1084548105 NSBVIFPLVZAXJJ-UHFFFAOYSA-N 569.637 5.440 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 1084629505 CUVCIZUYJRRQJD-UHFFFAOYSA-N 632.383 5.501 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 1614653466 DPORNIZGLHNIBH-SKUBCJEJSA-N 550.511 6.914 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 1772747256 MMIBULMQCGZKSX-UHFFFAOYSA-N 532.427 7.285 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC3)cc(C)c1Cl 1772747572 NAWFLTQOEWFDIF-UHFFFAOYSA-N 509.946 5.385 50 10 KKGE Cc1c(C(=O)Nc2ccccc2Br)oc2c1C(=NNC(=O)c1cncc(Br)c1)CCC2 1772748415 XCDYQOVSNXVOOR-UHFFFAOYSA-N 546.219 5.231 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 1772754334 XXVWLUMEUJWXMP-UHFFFAOYSA-N 545.433 6.233 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684752 XIMMKTVRSIIVDZ-HSZRJFAPSA-N 547.840 6.241 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OCC 1865687619 WBWODEBQKYVCMR-MHZLTWQESA-N 506.606 6.335 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)cc1OC 1865695988 JLCJCBLEMPNCSI-LJAQVGFWSA-N 552.650 6.923 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2cccc(F)c2)ccc1OC(C)C 1865697495 UUBNIYLEPNOOBF-SANMLTNESA-N 510.569 5.751 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 1865702262 QZEZSYVQOXMAMK-FQEVSTJZSA-N 519.777 5.796 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccccc1C 1865703694 ZJPBPPAKKLJFPJ-AREMUKBSSA-N 578.566 6.594 50 10 KKGE CC[C@@H](NC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccc(SC#N)cc1 1866568723 QQDWOLNFSYQMRX-HXUWFJFHSA-N 518.689 6.188 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 1866730423 VPIONOZLJLFIGH-CLJLJLNGSA-N 527.646 5.281 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCc4ccc(S(N)(=O)=O)cc4C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433813 RGABTHOVTIJXDO-UHFFFAOYSA-N 549.081 5.324 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)CCS2)cc1 1868566394 ZSMPJQMNFRLZOU-XMMPIXPASA-N 512.664 6.158 50 10 KKGE Cc1ccc(C)c(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c1 1872749880 LMJURZHQUFFAQR-JRXCRPKVSA-N 505.599 6.127 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C(\O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)cc1Cl 1872756093 CQMYFJHMJFNKKR-MOSHPQCFSA-N 502.892 5.555 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 1872757955 DSYPVHJIUKCMEN-BOLJVCIBSA-N 503.580 5.068 50 10 KKGE CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4C)c(OCC)c3)n2)cc1 1872781080 UJAQJQKGTVMUMI-MTDXEUNCSA-N 508.687 8.503 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1Cl 1872794498 FOOZAWMWVPOYTG-HZHRSRAPSA-N 517.050 7.556 50 10 KKGE O=C(N[C@@H](CCSC[C@H]1C[C@@H](Br)C1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1893204353 DCGSZQLPLDHQFO-DMPWYTOCSA-N 504.446 5.275 50 10 KKGE FC1(F)CC12CC([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 1924568885 NAKFCVJZPTVZOM-DJQPPXJLSA-N 529.864 6.907 50 10 KKGE Cl[C@H](c1csc(Br)c1Br)c1c(Br)sc(Br)c1Br 1924571268 QDVXGUVASGNXPE-ZCFIWIBFSA-N 609.222 7.950 50 10 KKGE Cl[C@@H](c1cc(Br)sc1Br)c1c(Br)sc(Br)c1Br 1924585933 RXQCHXSDRHHIGQ-LURJTMIESA-N 609.222 7.950 50 10 KKGE CCCC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCC1 2015636950 CZPKMFNTICYHKR-SECBINFHSA-N 509.927 7.442 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccc(Br)s2)c1Br 2024292850 DPAHDDBXSGICBU-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCO2)c1Br 2025779289 FNGONIMKRHAGJK-WRWORJQWSA-N 556.712 6.352 50 10 KKGE COc1ccc([C@@H](Br)c2csc(Br)c2Br)c(Br)c1 2032958872 OBTAEVANAHTZNI-SNVBAGLBSA-N 519.878 6.529 50 10 KKGE Cc1c([C@@H](Br)c2c(Br)sc(Br)c2Cl)nn(C)c1Br 2049255259 HIEZLKTVSALOEY-YFKPBYRVSA-N 542.316 6.215 50 10 KKGE COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 2053613250 ZUMRGGAETKVOAT-UHFFFAOYSA-N 531.597 6.564 50 10 KKGE CC(C)(C)[S@](=O)N[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)c1cccc2ccccc12 2080746029 ZEKRYLFTCRWHOG-OCZFFWILSA-N 521.666 6.739 50 10 KKGE Cc1cccc([C@H](Br)c2ccc(Br)cc2Br)c1I 2083332331 AAWLAONFPNXPGY-CYBMUJFWSA-N 544.850 6.609 50 10 KKGE Fc1cccc(Br)c1[C@H](Br)c1ccc(Br)cc1Br 2083335742 UWVPLYUEWRIWMW-CYBMUJFWSA-N 501.813 6.598 50 10 KKGE CC[C@@H](C(C)C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085500480 OMDQKUMKRLDLMO-CPCISQLKSA-N 570.783 7.855 50 10 KKGE CC1([C@H](Br)c2c(Br)sc(Br)c2Br)CCCCCCC1 2116023491 SNTNFHGTPGWAQA-LLVKDONJSA-N 537.981 8.222 50 10 KKGE C[C@@H](c1ccncc1Br)[C@H](Br)c1ccc(Br)cc1I 2142285815 VCDICLYPQKAKAJ-RTHLEPHNSA-N 559.865 6.451 50 10 KKGE Cn1nc(COc2c(Br)cc(CCl)cc2Br)c(Br)c1Cl 2152998814 GYDYFXNDZHVSPY-UHFFFAOYSA-N 507.835 5.679 50 10 KKGE CN(c1c(CBr)ccc(Br)c1Cl)[C@@H]1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]21 2190536841 JLECTUCXECHNFX-HLNWXESRSA-N 513.701 6.818 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)c(F)c1Cl 2201612060 WRALLCQXASWJMB-LLVKDONJSA-N 556.797 7.076 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Br)c(Cl)c1Cl 2203431958 FUAKSOVIEUSJNJ-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)ccc1Br 2206399045 BQNVQIJZXRHQFG-LLVKDONJSA-N 659.605 8.123 50 10 KKGE CC1(C)[C@H]2C[C@H]([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206399798 LPPRDHGPUQLTGQ-HZLHGAJGSA-N 594.805 7.855 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c(F)c1 2206405283 INZKXJYJZIDKQE-AWEZNQCLSA-N 550.285 7.512 50 10 KKGE Cc1sc([C@@H](Br)c2sc(Br)cc2Br)c(Br)c1C 2215947537 RLGXGYJZCKPMMW-VIFPVBQESA-N 523.935 7.198 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1C 2232526494 ILSQLEMDDOFVDJ-SNVBAGLBSA-N 542.345 8.334 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(F)c2I)c(C)c1Br 2235609010 APTBAPNUCDLAAJ-AWEZNQCLSA-N 576.867 7.056 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccc(Br)cc2F)c(C)c1Br 2235610871 SWLSDRVKPCVPKO-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Clc1cccc([C@@H](Br)c2cc(Br)sc2Br)c1Br 2248096317 NDZNAIHEQAVMGM-SECBINFHSA-N 524.297 7.173 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1 2293198259 NUUABPCWMGXSBV-HSZRJFAPSA-N 542.875 7.020 50 10 KKGE CCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 2293202132 GZLPBXHREHHBCL-UHFFFAOYSA-N 516.450 6.774 50 10 KKGE C=CCOc1ccc(Cl)cc1C=C(C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2293202197 VGDIBDHYRZWWAD-UHFFFAOYSA-N 503.933 6.517 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2cccc(F)c2)cc1 2295523550 IFBNYWCRHSKJBF-UHFFFAOYSA-N 708.382 6.557 50 10 KKGE Cc1c(Cl)cccc1NC(=O)CSC(NC(=O)c1ccccc1)=C(C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 2296548438 MNOMODRZGFJBJV-SANMLTNESA-N 628.581 8.196 50 10 KKGE CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C(C#N)=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c1 2297486615 ITVPYDDKDGMVHX-IBGZPJMESA-N 534.410 5.537 50 10 KKGE Clc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c(Cl)s1 2299496241 TUNQYAKXUBQEHO-QGZVFWFLSA-N 507.074 7.881 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(Br)cc1 2313518658 NNZFDQFQVZZGTE-UHFFFAOYSA-N 648.251 6.485 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CC[C@@H](CC)C2 2314571926 OSWAONCPLKPCEH-MRXNPFEDSA-N 519.579 6.154 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591729 CMYKVORSOLYPMG-RUZDIDTESA-N 551.590 6.478 50 10 KKGE CCCCc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccccc3C)N(c3ccc(C)c(C)c3)C2=O)cc1 2314592095 LTRYLFAHNDTARM-GDLZYMKVSA-N 523.702 7.019 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1C 2314610784 MEMYWQKKZWYIEZ-UHFFFAOYSA-N 508.622 5.885 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 2314611531 WLOIWPWESVRAOJ-UHFFFAOYSA-N 560.629 6.506 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 2314618995 XXAMYJUOIGDKHH-XMMPIXPASA-N 542.639 6.680 50 10 KKGE Cc1cc(Br)c(F)c([C@H](Br)c2sc(Cl)cc2I)c1 2316774354 IEXCLRRKYKKRHV-JTQLQIEISA-N 524.418 6.700 50 10 KKGE COC(C)(C)C1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 2320464403 YQOBFROPXIZZPW-QMMMGPOBSA-N 525.926 6.677 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)CCCOc3ccc(Br)cc3Cl)n2)cc1 2331341838 VZXQSJPQNUYPJM-UHFFFAOYSA-N 517.876 8.001 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCCCc1ccccc1 2331416464 FLBAXJAXWMBEOA-UHFFFAOYSA-N 502.639 8.048 50 10 KKGE BrCC(CBr)(Cc1ncc(I)cn1)c1cccc(Br)c1 2381293834 SLRZZEXIOBVRBI-UHFFFAOYSA-N 574.880 5.114 50 10 KKGE Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5[nH]cc(C)c65)cc4c3)ccc2[nH]1 8214504 FONKWHRXTPJODV-PSWAGMNNSA-N 815.718 9.249 50 10 KKGE biogenic Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 29492397 MZWQTRXCICQJJK-IADYIPOJSA-N 606.686 6.462 50 10 KKGE Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]cc(C)c65)cc4c3)ccc2[nH]1 85536995 FONKWHRXTPJODV-DNQXCXABSA-N 815.718 9.249 50 10 KKGE investigational CCCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 100971608 PPWCXDPXWVAWSM-UASKRSSHSA-N 612.524 6.738 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242678 FLZJHXPNNARZDK-HVBJHMBASA-N 526.445 5.946 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101244955 QIMPNDVDGBGNHU-KVILUOORSA-N 536.484 6.929 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccc(C(C)C)cc3)C2=O)cc1 101245016 LHISPQXAOMTGRO-QQLHSWCZSA-N 537.729 7.526 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 101337776 UTGIICBDXOVCCF-MVAKIDQKSA-N 570.693 7.236 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3Cl)ccc21 101378233 QRACBNXCRQJGRH-NDEPHWFRSA-N 553.442 6.765 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 101384155 YKSNRXBRBCPJCU-NDEPHWFRSA-N 561.396 7.149 50 10 KKGE CCc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385895 QGHSEOYTLMQPKN-MGBGTMOVSA-N 597.067 6.693 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101390277 QHNIPHMBZSFKEU-DEOSSOPVSA-N 531.362 5.950 50 10 KKGE CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 101390614 ZTCVQDFSGDVWNO-HSZRJFAPSA-N 537.424 7.044 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccc(F)cc4)cc3)c(C)c2c1 101397972 OXZXNFUKCAYMDO-HKBQPEDESA-N 560.581 7.205 50 10 KKGE COc1ccccc1NC(=O)COc1c(Br)cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 101620139 PCSOGKGJXJIOIZ-UNOMPAQXSA-N 599.445 5.188 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Br)cc1 101727213 DQLIDJMQQAOANQ-WKULSOCRSA-N 582.545 6.793 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)sc2c1CCCC2 102847212 IRQRFUVPOSFISK-ZZEZOPTASA-N 596.709 6.447 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1 103742598 MFRPSUDIVXXUBR-QPQMVVSWSA-N 536.426 5.962 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(I)cc1 103879573 WZJWTZOKJFOLLR-OCSSWDANSA-N 580.422 6.508 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)ccc1OCc1ccc(F)cc1 150431976 RQHUJMQYTJJQHI-GDLZYMKVSA-N 695.983 9.416 50 10 KKGE O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 150459287 FISTZRNNCTWQSA-KNBZMSCYSA-N 641.827 8.354 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2F)cc1 150479053 VWIPXKHDEKKTCU-XMMPIXPASA-N 694.757 8.874 50 10 KKGE CCCCCCCCCCCCCCCCCC[C@H](CCCCCCCCCCCCCCCC)C(=O)OC(=O)CCCCCCCCCCCCCCCCC 165330725 AFCVXBAMZJJJIF-MPLRIKRWSA-N 803.439 19.457 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205650673 XJJCPSLWBJOLKW-BESXVYCHSA-N 540.616 6.110 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(=C\c1ccccc1)c1ccccc1 206396239 FHLNQSYHGNXELJ-HNXTVNFMSA-N 514.581 6.065 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 214392276 VZHFXMBVROVWKN-FSGOGVSDSA-N 572.665 6.438 50 10 KKGE CCCOc1ccc([C@H](Br)c2ccc(I)cc2)cc1Br 229008820 CZJJNHWUUPALPV-MRXNPFEDSA-N 510.007 6.327 50 10 KKGE COc1cc(F)c(Br)cc1[C@H](Br)c1ccc(Br)cc1Br 234913646 YFKOLOSVEJYVLN-CQSZACIVSA-N 531.839 6.606 50 10 KKGE C[C@H](Br)c1ccccc1NC(=O)c1cc(Br)ccc1I 235411730 HTVUTYPGWGSIQY-VIFPVBQESA-N 508.979 5.762 50 10 KKGE Cc1cc([C@H](Br)c2cc(Cl)ccc2I)sc1Br 235859207 GBYSDYQGWJACSD-LLVKDONJSA-N 506.428 6.561 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1Br 236244768 WZRQSBVVCNMMMH-ZDUSSCGKSA-N 548.813 6.440 50 10 KKGE COc1cc(C=NNC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)cc(Br)c1O 252625586 QNFZVRJLLXCXBA-UHFFFAOYSA-N 504.384 5.759 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](I)[C@@H](OC(=O)C(F)(F)F)C[C@]4(C)[C@@H]3CC[C@@]12C 254371675 UOMMDIWLOYTRIE-AMMIXGRPSA-N 610.583 8.995 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(Oc2ccccc2)Oc2ccccc2)cc1 254734843 YHUAKXUTEIYBEJ-UHFFFAOYSA-N 560.606 6.392 50 10 KKGE C[C@H](CCC(=O)NN=Cc1c[nH]c2ccccc12)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254825683 NSYXTAJIOOWVSE-DQRDZQFYSA-N 533.757 6.025 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C\[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)CCc1ccccc1 255981090 JKHADYMACPRLAF-UVYIGOBZSA-N 596.840 8.410 50 10 KKGE COc1ccc2cc(Br)ccc2c1CC(=O)O/N=C1\C[C@H]2CC[C@@]1(C)[C@@]2(C)CBr 256019734 ALGBBXVHLFHHOW-CQMCNZPOSA-N 523.265 6.274 50 10 KKGE Fc1cc(F)c(F)c([C@H](Br)c2ccc(I)c(Br)c2)c1F 721607547 BXDSZIQULKOKJU-LLVKDONJSA-N 523.887 6.094 50 10 KKGE Cc1cc(Oc2ccccc2)ccc1N(C(=O)CCl)[C@H](C(=O)N1[C@@H](C)COC[C@H]1C)c1cccs1 725239152 YSDCRNUTJOHQLU-UNVFRBQDSA-N 513.059 5.798 50 10 KKGE Cc1ccc(Cl)cc1N(CC(=O)NN=Cc1cc(C)n(-c2ccccc2Br)c1C)S(=O)(=O)c1ccccc1 725445981 WLMPIDXMLGAISR-UHFFFAOYSA-N 613.965 6.164 50 10 KKGE CCO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(C/C=C(\C)C=O)OC2(C)C)OC(C)(C)C=C4 1078362840 IKFKEJSONUWRCD-RHNAAMKQSA-N 590.713 5.722 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(Br)cc3)c(OCC)c2)cc1 1083983473 HJBUVRUDXAAVMP-UHFFFAOYSA-N 576.285 6.352 50 10 KKGE Cc1ccc(-n2nc(C)c(C=NNC(=O)CSc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C)cc1 1084083343 SRROTFJWBULKJB-UHFFFAOYSA-N 550.726 7.307 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl 1084210771 RQZHCGFPBDHWQA-UHFFFAOYSA-N 508.199 6.107 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 1084243182 NRTURGSXIGSUHZ-SGWCAAJKSA-N 595.541 6.691 50 10 KKGE C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/[C@H](O)[C@@]1(O)CCC[C@@]2(C)[C@H]([C@@H](C)/C=C/[C@@H](C)C(C)C)CC[C@@H]21 1084294744 XDBLYTWRNMYVCA-FRBJRQRISA-N 544.937 8.836 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 1084347741 DCGRPDKJIQONRI-VWLOTQADSA-N 600.466 5.698 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 1084365227 AMMYPDVBRVCPLQ-ZVHZXABRSA-N 629.352 7.691 50 10 KKGE Cc1cc(NC(=O)NN=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)ccc1Br 1084489769 KZBPEKRKKDAOBI-UHFFFAOYSA-N 503.784 5.672 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c(Cl)cccc2Cl)c2cc(Cl)cc(Cl)c2)cc1 1084581938 FPAXDYHXEZWDGS-UHFFFAOYSA-N 545.275 5.954 50 10 KKGE CN(C(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@H]1Cc2cc(F)ccc2/C1=N/NC(=O)Nc1ccc(OC(F)(F)F)cc1 1614015121 DLIMGHOHJGJUGJ-GSIDYZJGSA-N 618.456 6.601 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)c1 1772720666 VPSUNASHQXBFRY-UHFFFAOYSA-N 500.592 5.141 50 10 KKGE Cc1cc(C)c2c(CC(=O)NN=C3CCCc4oc(C(=O)N(Cc5ccccc5)Cc5ccccc5)c(C)c43)coc2c1 1772751958 PWHYBGTZUQBOBJ-UHFFFAOYSA-N 573.693 7.193 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865684845 AAVXXVQMOBXBML-QFIPXVFZSA-N 539.369 6.410 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686267 SXLMWWFYAYKARR-QFIPXVFZSA-N 521.379 6.271 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 1865689740 DMYCVIYHPDRUKF-FQEVSTJZSA-N 502.924 6.332 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(OC)cc2)cc1OCC 1865690790 BEHFFDSPTWGKTH-HHHXNRCGSA-N 516.642 6.019 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OC 1865691836 CGNNRUIWIMVXDS-DEOSSOPVSA-N 567.484 6.002 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(C(F)(F)F)nn4Cc3ccc(F)cc3)cc2)cc1 1865692800 ILRYLVRWUFXYTC-DEOSSOPVSA-N 534.513 6.195 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)ccc1OCCCc1ccccc1 1865696606 IMDQGLJYHLDJAJ-GDLZYMKVSA-N 524.596 5.617 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3CC(C)C)cc(Br)c1OC(C)C 1865697850 CYJPTRYLHJROJE-INIZCTEOSA-N 529.357 5.334 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865703412 VIWZESXQEYYAQW-GDLZYMKVSA-N 504.634 6.216 50 10 KKGE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865703566 BJKYRWNATBYEOQ-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE Cc1ccc(-c2nc3cc(C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)Nc4ccc(SC#N)cc4)ccc3o2)cc1 1866880384 FUDIDBLXRNDBNS-HHHXNRCGSA-N 548.624 6.062 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H]3CC(=O)N(c4cc(Cl)ccc4OC)C3)n2)cc1 1872749111 BNRFEOUATNTXEG-MQPOEVEDSA-N 510.015 6.107 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)c3ccc4c(c3)C(=O)N(Cc3ccccc3)C4=O)n2)cc1C 1872758046 IXQILWWZUPNDSN-PNHLSOANSA-N 521.598 6.182 50 10 KKGE COc1ccc(OC)c(-c2csc(/C(C#N)=C(\O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 1873921164 XRLCXECDTLWKPO-JZBNPYPUSA-N 503.580 5.331 50 10 KKGE Cc1sc(Br)cc1[C@@H](Br)c1sc(Cl)cc1I 1900923623 DBYFRZVRFGZCRQ-SECBINFHSA-N 512.457 6.623 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2cc(I)ccc2Br)c1Br 1922888674 RILIPQQDWLIPIV-SNVBAGLBSA-N 629.775 7.433 50 10 KKGE C[C@@H]1OCCO[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615199 XPXOJDQGDABZAB-MYKRQKDWSA-N 513.871 5.276 50 10 KKGE O=C(C1CC1)[C@@H](Br)Cc1cc(Br)c(I)c(Br)c1 1946434135 GKMHIVWUZXPEOH-JTQLQIEISA-N 536.827 5.101 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CCO1 2011643456 DKYDXPXAQYDXBT-ATRFCDNQSA-N 511.899 6.287 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C2[C@@H]3CC[C@@H]23)c1Br 2025780279 QLDURYOXFRFTQK-QKCHBMAPSA-N 552.724 6.829 50 10 KKGE CC1(F)CC([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2085501435 ZOPSWAZMZAYBCD-MFOBGVTRSA-N 572.730 7.311 50 10 KKGE CN(CC[C@@H](Br)c1ccccc1)c1ncc(I)cc1Br 2189900745 MOHQEJVLYWWXGQ-CYBMUJFWSA-N 510.011 5.411 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]3CCCC[C@@H]32)c1Br 2206401736 ZDICMNLDXSAJBJ-LOKDSWTASA-N 594.805 7.999 50 10 KKGE Cc1c(Br)sc([C@H](Br)c2ccc(F)cc2I)c1C 2218790895 PHTHMIMMNRMQLV-LLVKDONJSA-N 504.000 6.355 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cscc1Br 2260072411 YGUXCUCZUIBWAQ-VIFPVBQESA-N 525.832 6.798 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2scc(Br)c2Br)c1 2263518585 GMRWEKPMXPBGCF-VIFPVBQESA-N 582.775 7.477 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2293198266 OOOZITRURIPGGG-QFIPXVFZSA-N 512.418 5.638 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(I)c1OCc1cccc2ccccc12 2294187342 BONFYSUVMSVHRC-UHFFFAOYSA-N 578.381 6.717 50 10 KKGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1OC 2295170771 WSFIVDMGFBSNPH-UHFFFAOYSA-N 653.533 5.347 50 10 KKGE N#CC(=Cc1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1C(=O)O 2295178743 UTTYGNPJUHWYHQ-UHFFFAOYSA-N 527.374 6.425 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@H](C)C2 2296500369 MBORIWWEWWWVIQ-HNNXBMFYSA-N 539.451 6.618 50 10 KKGE N#CC(C(=O)NCCc1ccccc1)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296506744 CGVYTGAQEVVDFD-QHCPKHFHSA-N 522.457 5.779 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc(O)c2ccccc2n1 2296721707 BOFVTMOGSWNXKE-UHFFFAOYSA-N 562.655 5.427 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@H]1CCCO1 2296730280 PMMBBBZYAGCBMG-GDLZYMKVSA-N 504.590 5.320 50 10 KKGE Cc1ccc(C[C@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 2297458695 WIAUFTLDPSQHOL-XMMPIXPASA-N 532.463 6.131 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cccs3)cs2)sc(C(=O)Nc2ccccc2C)c1C 2297467463 YNCSWCMCUVYQFZ-UHFFFAOYSA-N 534.688 6.956 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC(=O)c1ccc(OC)cc1 2297491376 LVFBUGCQWVRZEP-UHFFFAOYSA-N 539.357 5.760 50 10 KKGE COc1cccc(OCCOc2ccc(Br)cc2C=C(C#N)C(=O)NCc2ccccc2)c1 2297499447 FNIVDFMDWLHFLJ-UHFFFAOYSA-N 507.384 5.139 50 10 KKGE COc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521469 QFRKCNRYTHMVFZ-UHFFFAOYSA-N 536.196 7.250 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570850 HRZCTIMWYVOINH-UHFFFAOYSA-N 547.192 6.789 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2313631367 OYXNDRYESPPDAG-UHFFFAOYSA-N 515.780 6.810 50 10 KKGE COc1ccc(CNC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccccc2Cl)cc1 2313670583 HRLDZVBXIAZLGP-UHFFFAOYSA-N 511.803 5.913 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314448156 FLJXYBKKAOBAGC-FQEVSTJZSA-N 592.496 7.770 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 2314618167 ILUWXNMXZHMYHH-DEOSSOPVSA-N 542.639 6.600 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1 2314618349 LTQZBIUEOGDXAI-VWLOTQADSA-N 556.666 6.928 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314620531 PXLPMTWEOHCWQZ-UHFFFAOYSA-N 629.091 7.703 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 2314643254 LLQPDHKHUYPSHZ-UUWRZZSWSA-N 609.078 7.163 50 10 KKGE COc1ccc(CCN2C[C@H](C(O)=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1OC 2331299168 CCIKZZIPZDCQSM-GOSISDBHSA-N 510.015 5.365 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(I)cc2)c1Br 2337093016 ZMNYCYGKZBNBHY-NSHDSACASA-N 583.258 7.093 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1nn(C)cc1Br 2339650792 JGSFVPNUMRVOAE-JTQLQIEISA-N 519.832 5.639 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2165972 ATVUPRSENPSJTL-JXLBHRMKSA-N 512.997 5.186 50 10 KKGE COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Br)cc2)cc1 6924851 CCYALVZVZGPOLK-ATVHPVEESA-N 522.311 5.131 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 38688718 WUVQVRJYCPOWIA-NDEPHWFRSA-N 524.573 6.148 50 10 KKGE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 39858657 MXMQNRDPWBKIOJ-JXAWBTAJSA-N 519.388 6.210 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 40514721 VRBYGTVSZSDFAH-WPWMEQJKSA-N 522.601 5.426 50 10 KKGE CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212938 KEMZNFNAKLCDOS-UHFFFAOYSA-N 570.509 5.055 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(Br)c1OCc1ccc2ccccc2c1 100235943 JIULFSJTZAEUBM-WZJRFBARSA-N 601.541 7.272 50 10 KKGE CC(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc2ccccc2c1Br 100287010 AAJMNYQKTBPDNB-UHFFFAOYSA-N 550.247 5.093 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241226 GBTSGCHUCDTZFG-UZEPBSNMSA-N 518.038 5.481 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 101340824 ZBNAQLBEJUGFCQ-NDPRVOFDSA-N 575.068 6.617 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)ccc1OCCC(C)C 101368304 WXPZYFMXFKHQLD-MHZLTWQESA-N 553.442 6.864 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Oc3ccccc3)c2)cc1 101369300 ABCSUTLRPKWKDB-MWFBKXIWSA-N 542.635 7.613 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381059 HVGKMYPCFJSLFU-NDEPHWFRSA-N 543.406 7.010 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)ccc1OCc1ccccc1Cl 101385700 LQGQCEVEKJPDCA-GDLZYMKVSA-N 583.984 6.273 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCCC)c(Cl)c4)ccc32)cc1OC 101394577 CEFPTCCHLOQZKS-HHHXNRCGSA-N 581.452 6.793 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)oc2ccc(Cl)cc12 101397574 OLYNRXXNEQWSKV-PMERELPUSA-N 597.454 8.064 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)oc2ccc(F)cc12 101397808 BHJPPNDWFUCWQL-SSEXGKCCSA-N 564.544 7.036 50 10 KKGE Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)c(Cl)n(C)c2Cl)c1 102458515 QKSCBQCXPSBSCD-LKVRWFMMSA-N 614.574 6.254 50 10 KKGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 103691159 JBHOAAOEPWJYMW-SDNWHVSQSA-N 534.475 6.351 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 103796417 ZTEAEQNRXVHPMS-XZYGTATASA-N 599.474 8.011 50 10 KKGE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)c1C 103816647 GJFZUBQKRYAREP-ZHZULCJRSA-N 536.407 5.205 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCc1ccc(F)cc1 103878928 LPERVEGFVBUJQI-HZQMBONKSA-N 587.695 8.062 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4s3)c2)C1 110558811 HGMRIEWTIMRADC-GNOAMTAQSA-N 579.751 6.880 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 150460874 UPXCHHUXNVSIKJ-XMMPIXPASA-N 711.212 9.389 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1 150474321 QOJMOEQGDQNUMI-KRWDZBQOSA-N 639.533 8.463 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)c1 150476748 ZPCKUIPKUDAEEP-JOCHJYFZSA-N 656.777 8.725 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc2ccccc2c1 163803076 XVFJKHOUKMTBTP-JRZNSJKLSA-N 644.569 8.720 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 164642038 GRTDWSZUQZQUGH-PNQUVVCRSA-N 641.143 8.006 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 214359382 MZJCSJQXIUIHFP-IMRQLAEWSA-N 522.674 6.576 50 10 KKGE COCCc1ccc([C@H](Br)c2cc(I)ccc2Br)cc1 234701928 GTJBAXASCYLBTG-INIZCTEOSA-N 510.007 5.727 50 10 KKGE Fc1ccc([C@H](Cl)c2cc(Br)ccc2I)cc1Br 236263247 FKTCBUHDHHBQCD-ZDUSSCGKSA-N 504.362 6.284 50 10 KKGE CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 254765209 NQTPWWDXSFTUHB-UHFFFAOYSA-N 590.615 5.418 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(=O)/C=C/c1ccccc1 254858938 YQJMEDHYKVMZHS-GTZWAOLHSA-N 520.585 5.965 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc23)sc2c1CCCC2 254875796 KIPNXRCDIVQDTO-UHFFFAOYSA-N 573.646 5.764 50 10 KKGE O=[N+]([O-])c1sc(CCl)cc1Oc1c(I)cc(Cl)cc1I 404381882 MSRCRQPFZXRAQN-UHFFFAOYSA-N 555.946 6.050 50 10 KKGE CC(C)CC(CBr)(CBr)Cc1cc(Cl)ccc1I 405318690 XXSUHVSLRWEYHO-UHFFFAOYSA-N 508.463 6.309 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cc4cc(C)nc-4nc3O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 575119010 ZHEMQWANPUMXQW-KFGQUTIESA-N 898.127 10.372 50 10 KKGE Cc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)nc1O 616587437 QKYUXBKJSYFMGZ-VVUBDVDESA-N 676.824 6.063 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 719541839 YTNOQFPKGJZESG-OAHLLOKOSA-N 511.877 7.075 50 10 KKGE CC1(C)C[C@H](Br)C[C@@H](NC(=O)c2ccc(I)c(Br)c2)C1 721619501 GYXFUIXAEZMPDB-GHMZBOCLSA-N 515.027 5.126 50 10 KKGE CCCC[C@@H](C)Nc1cc(NC(C)=O)c(/N=N/c2nc(Cl)c(/C=C3\C(=O)N(CCCOC)C(=O)C(C#N)=C3C)s2)cc1OC 1082190593 BRAMXRXRYQRUAS-KLTFAEITSA-N 642.182 6.798 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(Br)cc1 1083914487 KHENGLOLPMKENZ-NDEPHWFRSA-N 595.534 6.518 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1ccccc1F 1083923898 DNSNOYKBYGTBMA-LICLKQGHSA-N 564.238 7.418 50 10 KKGE Cc1ccc(C)c(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccccc2)c1 1083969253 PXLSDRAKAVPTAA-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCc1ccccc1 1083971182 OGEPXLSTQHJHGQ-UHFFFAOYSA-N 555.678 7.533 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c2cc(C)cc(C)c2)cc1OC 1084212801 IHDPZYVVSWPVKF-UHFFFAOYSA-N 643.593 6.381 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1084297511 SIKXGNWCWBCSDD-UHFFFAOYSA-N 625.545 5.219 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1 1084518462 PRGABQKYVKWKJA-YTTGMZPUSA-N 536.701 6.249 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 1084625694 VKAZERVLPURHMQ-UHFFFAOYSA-N 677.426 9.264 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Cl)CC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538087 QPRLUWUASKOVRZ-YQXQAQIOSA-N 507.268 9.962 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772747105 DRZKTJGCEDJGMA-UHFFFAOYSA-N 525.219 6.924 50 10 KKGE Cc1ccc2c(CC(=O)NN=C3CCCc4oc(C(=O)Nc5ccc(Cl)cn5)c(C)c43)coc2c1C 1772751580 GBKOAUBDWYKOHA-UHFFFAOYSA-N 504.974 5.651 50 10 KKGE COc1cc(C=NNC(=O)COc2cccc(Br)c2)ccc1OCc1ccccc1Cl 1772754781 VAOKQVSEDDYGEZ-UHFFFAOYSA-N 503.780 5.219 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OCC 1865688855 CMQGIFHCEBKXSL-MHZLTWQESA-N 557.050 6.276 50 10 KKGE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697579 XDTHDQKSBJSZTB-SSEXGKCCSA-N 552.650 6.261 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)cc1OC 1865697671 ZALBDXURTYDTSJ-NDEPHWFRSA-N 554.622 6.152 50 10 KKGE Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1865699270 PAFVEJSYXDZIAE-RUZDIDTESA-N 526.427 6.615 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccccc2OCc2ccc(Cl)cc2)cc1 1865700640 AAIIBOKVDQDMLI-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700667 AOADNQJIDQYKCU-SANMLTNESA-N 535.406 6.483 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(C)cc2)cc1 1865707275 SIQKVVKQXBDSME-VWLOTQADSA-N 529.566 6.444 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 1865711742 HFDAYSFSMIMXNX-AREMUKBSSA-N 535.560 5.113 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712208 SGSJDVAZIWJAEV-GDLZYMKVSA-N 561.041 6.998 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccn2)c2ccccc2)cc1 1866682065 WFCXCKZVRBLCGO-IZLXSDGUSA-N 522.630 5.053 50 10 KKGE CC(C)c1cc2cc(CC(=O)N[C@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)ccc2nc1O 1867067134 HKHDAANUSPBFSW-MUUNZHRXSA-N 570.740 6.236 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867093724 CROKUPSHYVLKHN-RUZDIDTESA-N 549.628 5.599 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCO[C@H](c4ccc(Cl)cc4)C3)n2)cc1 1868320768 NMMMDXRTEHTYPV-VWLOTQADSA-N 514.054 7.000 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@H]3c3cccc(Cl)c3)n2)cc1 1868321133 WILOUCLIHOXHGT-JGCGQSQUSA-N 560.126 8.574 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 1868342726 YHKZRBRNHHPROG-SSEXGKCCSA-N 536.749 8.256 50 10 KKGE COCCCN1[C@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3Cl)n2)C[C@H]1C 1868414059 HFIHXWTTYQKPTL-WOJBJXKFSA-N 523.106 6.049 50 10 KKGE CCCN(CCCN(C)C)c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccc(C(C)(C)C)cc2)n1 1868544878 MQKMILPODJAALC-UHFFFAOYSA-N 502.732 6.926 50 10 KKGE N#C/C(=C(/O)Cc1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1872743696 HKXAQCORUSLPRQ-YCNYHXFESA-N 500.623 8.091 50 10 KKGE N#C/C(=C(/O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O)c1nc(-c2cccs2)cs1 1872750438 IVGFFCRWWVTKIG-GYHWCHFESA-N 519.692 7.471 50 10 KKGE CC[C@@H](C)N1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2C1=O 1872753818 OHRQJMBCVZGJGG-BXTVSJRGSA-N 521.598 6.947 50 10 KKGE COc1cc(/C=C/C(O)=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)ccc1OC(C)=O 1872756160 SPKYKJOPYGTZPM-IQHVPDIVSA-N 517.390 6.565 50 10 KKGE COc1cc(Cl)c(C)cc1-c1csc(/C(C#N)=C(\O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1872757172 SYUWOOZVIBYLFS-CYVLTUHYSA-N 518.866 7.768 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(C(C)C)cc3)n2)cc1OCCC 1872818147 ONXCCTPHWXZRPK-PMZJYKPSSA-N 506.668 7.771 50 10 KKGE CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 1873794705 WFADBOXWBVKPKI-OWAQKBPCSA-N 510.418 5.334 50 10 KKGE C[C@@H](c1ccncc1Br)[C@@H](Br)c1ccc(I)c(Br)c1 1924050777 DEIMDELOSSCYED-RMLUDKJBSA-N 559.865 6.451 50 10 KKGE Brc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924585626 NWEHFBCBJNQMQU-MRVPVSSYSA-N 568.748 7.282 50 10 KKGE CC1(C)C[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C(C)(C)O1 1924613636 SPVILJNYCVRIBH-HTRCEHHLSA-N 539.953 7.065 50 10 KKGE Cl[C@H](Cc1ncccc1Br)c1ccc(I)c(Br)c1 1924874770 DSESWCWCXPFWCN-LLVKDONJSA-N 501.387 5.734 50 10 KKGE Clc1ccc(Br)c([C@@H](Br)c2c(Cl)sc(Br)c2Cl)c1 1925585962 TUFJBPXOURUCFD-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@@H](Br)c1ccc(OCc2ccccc2)cc1 1925592687 FHRWZCUQZFVJGY-HNNXBMFYSA-N 507.074 7.881 50 10 KKGE COc1sc([C@H](Br)c2cc(Br)sc2Br)cc1Br 1946729176 IYHIEGQOLADGKS-MRVPVSSYSA-N 525.907 6.590 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CCOCC1 2005761391 KBXWMQYXHOTPGD-QMMMGPOBSA-N 511.899 6.288 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@@H]3CCC[C@@H]3C2)c1Br 2063506811 BONSRSWCHJJSEC-CHIQAWFVSA-N 521.938 7.298 50 10 KKGE Cl[C@@H](c1cc(Br)cc(Br)c1)c1ccc(Br)cc1Br 2083329318 BZZGSBSDTDOBRR-ZDUSSCGKSA-N 518.268 7.065 50 10 KKGE Clc1cscc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493803 HGZISAAPLIQPMF-SECBINFHSA-N 603.193 7.936 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2ccoc2Br)c1Br 2085496925 YRSQXXKWKMYZLM-MRVPVSSYSA-N 631.576 7.576 50 10 KKGE FC1(F)CN(Cc2ccccc2)CCN(c2c(CBr)ccc(Br)c2Cl)C1 2098109327 HSIPWQGOOCWTJH-UHFFFAOYSA-N 508.632 5.955 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2cccc(Br)c2)c1Br 2138852769 OPWWWAAZUVIONM-AWEZNQCLSA-N 511.877 6.961 50 10 KKGE BrCC(CBr)(Cc1csc(Br)c1)c1cccc(Br)c1 2139778714 DEHFMWRNLFEGIL-UHFFFAOYSA-N 531.933 6.543 50 10 KKGE CC(C)C1([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141470599 INURZXVDCHMSAH-CYBMUJFWSA-N 538.343 7.843 50 10 KKGE COc1cc(F)c(Br)cc1[C@@H](Br)Cc1ccccc1I 2143868701 QSQGCMOIUDGKCH-NSHDSACASA-N 513.970 5.880 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Cl)c(C)c(Br)c2)cc1Br 2167396157 OOFBPTAUXOYRIF-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Cc1sc(Br)c([C@@H](Br)c2c(Br)cc(F)c(Cl)c2F)c1C 2201617699 WARZNTHZQGNUNC-SNVBAGLBSA-N 509.435 7.306 50 10 KKGE COc1cc(F)c([C@@H](Br)c2c(Br)cccc2Br)cc1Br 2202913303 YWQKDRCXPTVMAJ-CQSZACIVSA-N 531.839 6.606 50 10 KKGE CCn1cc(Br)c([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)n1 2206394556 HZVVUPSRVICHKX-LLVKDONJSA-N 615.183 7.044 50 10 KKGE CC(C)([C@@H]1CCCO1)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395540 OYQVSMOZMAOAOT-ZANVPECISA-N 554.342 7.222 50 10 KKGE C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CCBr 2207273054 RAWAUJZWYUSWMG-YGRLFVJLSA-N 515.027 5.079 50 10 KKGE COc1cc(F)c(Cl)cc1[C@H](Br)c1ccc(Br)cc1I 2207350975 HDQLNLMRKFGTCT-CQSZACIVSA-N 534.388 6.339 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cc(Br)ccc2Cl)c(C)c1Br 2235609953 PFRUHWHMPHOGME-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(I)c1 2243593243 JRFAUAQPOYZTCL-UHFFFAOYSA-N 506.609 5.761 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Cl)CC(C(F)(F)F)C1 2264518772 XRCXOXWSFWCJAY-JGPKUNILSA-N 505.419 7.341 50 10 KKGE Fc1cc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)cc1Br 2268279923 NMSUWYTUKYESSX-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE COc1ccc([C@H](Br)c2ccc(Br)cc2I)c(C)c1C 2284598527 NYMHIZCVIMWMJM-INIZCTEOSA-N 510.007 6.163 50 10 KKGE N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2295894329 JJTOONIHFXIXON-UHFFFAOYSA-N 507.163 6.013 50 10 KKGE CCCCc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 2296506977 NXVJIBDAJQLPPG-SANMLTNESA-N 516.066 6.748 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(-c2cccc(Br)c2)cs1 2297477286 LTFIVGPLUWJMSR-UHFFFAOYSA-N 579.519 8.795 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 2313568673 XWHYWDZRSYDBAH-UHFFFAOYSA-N 599.298 6.185 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570862 HYEAPAAYNFXTJS-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE Cc1ccc(Cl)cc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccc(Br)cc1 2313738499 FVCUJGRUUWCOTC-UHFFFAOYSA-N 560.673 7.298 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)N3CCCCC3)c2)C1 2314476122 JDHIFVYHWAXWEX-DNQXCXABSA-N 557.720 5.125 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2OC)cc1 2314591735 COEYAGJYUFUHJH-RUZDIDTESA-N 552.483 6.629 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1 2314592368 RWFQKHDNIANKBE-VWLOTQADSA-N 502.039 6.330 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593031 GISUCGCJVLMBEE-CLOONOSVSA-N 550.511 6.914 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)cc1 2314646712 KNQBPFZLOTYQTP-RNWIMVQKSA-N 660.752 5.096 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Cl 2316833538 CDJHMHIHDFHSJZ-VKHMYHEASA-N 607.185 6.669 50 10 KKGE CC[C@@H]1C[C@H]1C[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2320331074 NRFAYDAKUASNED-GJMOJQLCSA-N 568.767 7.609 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(Cl)cc2)sc(C(=O)OCCc2ccccc2)c1C 2329654345 RZIFIEHFSNHSNK-UHFFFAOYSA-N 523.010 5.832 50 10 KKGE COc1cc2nc(C(C#N)=Cc3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)nc(O)c2cc1OC 2331045180 DFEAWMKSOAKIBJ-UHFFFAOYSA-N 587.257 7.065 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)c1ccc(I)c(Cl)c1 2338026971 TWALSSFENOZDFT-CQSZACIVSA-N 534.482 7.205 50 10 KKGE Clc1cc(Cl)cc(CC[C@@H](Br)c2cc(Br)c(Br)s2)c1 2341182027 MAYLZQPBTRJBLB-SNVBAGLBSA-N 507.900 7.649 50 10 KKGE Fc1cccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1I 2360402427 QFUSSIPYSOXOTM-SNVBAGLBSA-N 556.797 7.123 50 10 KKGE Clc1ccc(COc2c(CBr)ccc(Br)c2Cl)c(I)c1 2365646937 FGHSIPOXLMEEKG-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)c2C#N)cc1 6246472 DZQYLDIJMYWXMJ-UHFFFAOYSA-N 543.048 5.568 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 38649821 RSHDCVNCBFVGAP-MHZLTWQESA-N 517.025 6.457 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)cc1OC 38681129 CYGDBLKKSBAHNS-LJAQVGFWSA-N 512.562 5.079 50 10 KKGE CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCCC(C)C)c1 38684727 BGVQKCJRPJROMG-GDLZYMKVSA-N 512.606 6.338 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912324 QKSHNKHTFYMOIK-RPPGKUMJSA-N 508.199 5.864 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59146523 QGDIPJCJODEDSV-WYMPLXKRSA-N 500.920 5.332 50 10 KKGE CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101012388 BFXXNKAOKONHRU-XHPQRKPJSA-N 575.068 7.716 50 10 KKGE N#C/C(=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101033999 QSGKPLIOHUSMOV-GIDUJCDVSA-N 546.362 6.041 50 10 KKGE O=C(NNc1ncnc(Oc2ccc(Br)c3cccnc23)c1[N+](=O)[O-])c1ccc(Br)cc1 101067626 QFJHPMPMXJXWCH-UHFFFAOYSA-N 560.162 5.007 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 101293378 XKNRTFYMUUVWMZ-MGBGTMOVSA-N 574.633 6.585 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OC 101375282 CFKWNODRHWSLML-GDLZYMKVSA-N 547.051 7.135 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1 101377687 FSXHBADZKXNTGJ-PMERELPUSA-N 591.502 7.001 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(C)cccc5C)ccc43)c2)cc1 101382172 POXOQUNPVQGUTG-YTTGMZPUSA-N 546.623 6.393 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC)c(Cl)c4)ccc32)cc1OCC 101395437 MHISGYKPLLEREH-NDEPHWFRSA-N 549.023 6.364 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OC 101395958 WHDVMHYIJUMLQK-MGBGTMOVSA-N 594.708 8.099 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101399306 AGEFPTZMXRPMFD-MGBGTMOVSA-N 621.089 8.036 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@@H](CP(I)(c2ccccc2)(c2ccccc2)c2ccccc2)C1 101723155 CLFAHWLUPUUKGX-XMMPIXPASA-N 587.482 6.513 50 10 KKGE COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2Br)ccc1OC(=O)c1ccccc1Cl 101965542 JETBIDCMMDZAFD-XODNFHPESA-N 545.817 5.476 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ncc(Cc4ccccc4Cl)s3)o2)cc1 102922177 BCPXWPLHORCAOC-JCMHNJIXSA-N 546.048 7.150 50 10 KKGE COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104098936 JAYWBCJGFPFNBH-RHAXOKLYSA-N 532.553 5.855 50 10 KKGE Nn1c(SCCCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1-c1ccccc1Br 104769433 ZCFRUPIUDUNDRE-OKCVXOCRSA-N 599.942 5.676 50 10 KKGE Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(Br)cc2)c1 105049496 VMILPZFFOBWOEY-NDENLUEZSA-N 540.255 6.953 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)c([N+](=O)[O-])c1)c1cc2ccccc2cc1O 164019081 QFZNIRQIKIPQTM-BBUXEPKYSA-N 732.800 6.703 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 205782289 XVGWTYSVFXKGIV-LIYQASSCSA-N 714.775 6.183 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 206409031 RKWBIHJUXFPDBE-MOHJPFBDSA-N 550.611 5.822 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC)C(=O)C(C#N)=C2C)cc1F 214290276 OENMNTDSFQAILM-JLPGSUDCSA-N 528.584 5.096 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1OC 214332028 BLGNNPHZFFOXLN-NWUVQHAMSA-N 544.611 5.910 50 10 KKGE CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)NN=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)cc2)C1 254392452 ZMEDGJVNBBHMPJ-HCFDMPMUSA-N 602.801 5.455 50 10 KKGE CCCCCCCCCC(=O)NCC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 254499607 CEGIMCWUDJYOAQ-UHFFFAOYSA-N 531.701 6.035 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OCC)c1 254840985 GZBKPFMDQNTGFX-UHFFFAOYSA-N 608.864 9.805 50 10 KKGE CCCCCCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC 256017213 MIGMDWJAXGUACL-UHFFFAOYSA-N 502.655 6.509 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(Oc4ccc(Cl)cc4)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 264006250 DHFZITNABJEUHO-NMYIBQMASA-N 971.605 11.664 50 10 KKGE FC(F)(F)c1csc([C@H](Br)c2cc(Br)c(Br)s2)c1Br 302581202 CUOONZMQEJGUOG-SSDOTTSWSA-N 563.878 7.600 50 10 KKGE C/C(=N/NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 575408979 ZYMCRPCXFFKKBN-NVUBWZPGSA-N 713.835 6.991 50 10 KKGE COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)=NNC(=O)CN(c4cccc(C)c4)S(=O)(=O)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 725406229 FBFDQRXYJRODJR-QCNZEISBSA-N 648.785 6.344 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)S(=O)(=O)c2ccccc2)c(OC)c1 1083905541 UPMLXQVLVDVUQY-UHFFFAOYSA-N 615.539 5.764 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 1083951468 FOGXWAGGWQKWKS-UHFFFAOYSA-N 535.431 6.069 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)c4cccc([N+](=O)[O-])c4)c3C)sc3c2CCCC3)cc1 1083958974 UBQUYSQGXLPNHV-UHFFFAOYSA-N 555.660 6.267 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)C(=O)NCc3ccc(Cl)cc3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1083976482 FZEGRWIXPGBGGR-UHFFFAOYSA-N 613.523 5.052 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 1083976557 RDEXMMZHRCQEKU-UHFFFAOYSA-N 541.755 5.618 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1cccc(F)c1 1084085631 OBULZSVNZCXOMO-RUZDIDTESA-N 525.418 5.860 50 10 KKGE O=C(NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1cccc(I)c1 1084262648 IKTRJXUWJSPZNI-UHFFFAOYSA-N 506.343 5.787 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(C)cc(C)c2)cc1OC 1084334585 ZSLWQIGGNKGJKM-UHFFFAOYSA-N 609.148 5.727 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 1084349093 PFIASDZLVRITSX-VWLOTQADSA-N 646.478 5.330 50 10 KKGE C=CCc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OCC(=O)OC 1084353719 DYJYVMMUBIIMLF-UHFFFAOYSA-N 551.643 5.896 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(I)cc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 1084416020 QEQYGBHCTNLBAI-KGENOOAVSA-N 707.204 6.651 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2cccc(F)c2)cc1 1084477888 DBHRHVNMQPJKHK-UHFFFAOYSA-N 582.473 7.697 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)c2C)c1 1084518461 PRGABQKYVKWKJA-JGCGQSQUSA-N 536.701 6.249 50 10 KKGE C/C(=N\NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc(COC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 1616047048 DOFVJZHTZMCBGX-WLSLIFQGSA-N 558.384 6.765 50 10 KKGE CC(=O)NC1=CC(=O)C2=C(C1=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2C(O[Si](C)(C)C(C)(C)C)=C1C 1616049288 ZMWKDOOCAMQFFW-DNOBIOAJSA-N 517.815 5.935 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)cc1OCC 1865686796 BBVSPWLMHBIHJO-MUUNZHRXSA-N 520.633 6.644 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2Cl)ccc1OCCc1ccccc1 1865688367 QLCPEMHYZWEFNW-XMMPIXPASA-N 566.967 6.393 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)c(Cl)c2)cc1OCC 1865691051 IAUGYJDINLQUNZ-OAQYLSRUSA-N 567.395 6.663 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OC 1865692352 LLKRZFQIPSAWMR-AREMUKBSSA-N 579.539 6.669 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865696359 MFFGJPRALDYJSF-RUZDIDTESA-N 537.458 6.129 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 1865703796 FWVPWUVDTKUTEI-GDLZYMKVSA-N 528.612 6.529 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705771 FNXUCLMTTNVOGE-MRXNPFEDSA-N 510.259 5.383 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1865705954 KMFYZXBNOVTCMY-INIZCTEOSA-N 544.704 6.037 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3)c2)cc1 1865711618 CTZANVGICKCZHE-GDLZYMKVSA-N 526.596 6.345 50 10 KKGE COCCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCC[C@H](C(=O)CCCc3ccccc3)C2)n1 1868253931 YPZBHTKPUBQYHD-QHCPKHFHSA-N 515.683 5.791 50 10 KKGE COC(=O)c1c(NC(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)sc(/C(C)=C/C#N)c1C 1873427330 MVWFQKKTMKDHHO-ZYUHXDNHSA-N 505.390 5.202 50 10 KKGE COc1ccc(C)cc1-c1csc(/C(C#N)=C(\O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)n1 1873920567 ITXLNZKXQLKVOU-LVWGJNHUSA-N 511.534 6.017 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(CBr)c1)Cc1ccccc1 2009622303 PCZYTFUUNGKDAS-UHFFFAOYSA-N 505.453 5.044 50 10 KKGE C[C@H](C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C1CC1 2085496131 VIIHRVMTSWMPOK-LHLIQPBNSA-N 524.316 7.453 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1[C@H]2CCCCC[C@H]12 2206398245 SHJVHOUPNVWWFO-VQLIFVOLSA-N 550.354 7.843 50 10 KKGE C[C@@H](C1CCCCC1)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206403215 XVOXBCZTVOFTST-ISVAXAHUSA-N 596.821 8.389 50 10 KKGE Cc1sc(Br)c(C)c1[C@H](Br)c1ccc(I)c(Cl)c1 2218801321 TYZABGUDGXBIFY-GFCCVEGCSA-N 520.455 6.870 50 10 KKGE Fc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)c(Br)c1 2225635938 YFXNXFMJVBLMDX-ZDUSSCGKSA-N 519.803 6.737 50 10 KKGE Cc1csc([C@@H](Br)c2c(Br)cc(C)c(Br)c2C)c1Br 2227349023 QGKSQHHJDFVKEM-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)c1 2240995160 CNXHAOUXIFZYLH-LBPRGKRZSA-N 569.289 7.807 50 10 KKGE CCCCc1ccc([C@H](Br)c2ccc(Br)cc2I)s1 2264362037 VSGRRHSEFPDDLO-OAHLLOKOSA-N 514.064 6.942 50 10 KKGE N#CC(=CNc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295902646 DPEVRPDHNUHYFT-UHFFFAOYSA-N 519.207 6.962 50 10 KKGE Fc1ccc(Br)cc1[C@H](Br)c1sc(Cl)cc1I 2301084494 UKZCCWJSSOBGAM-JTQLQIEISA-N 510.391 6.392 50 10 KKGE Cc1cc([C@H](Br)c2ccc(Cl)cc2I)sc1Br 2301794142 KICBCGDXFUIKNA-LLVKDONJSA-N 506.428 6.561 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2F)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 2313567525 KZYLCUYVYXIFOZ-UHFFFAOYSA-N 567.402 5.265 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2 2313571156 OQCJLADYNPXRRL-UHFFFAOYSA-N 507.373 6.575 50 10 KKGE N#CC(=Cc1c[nH]nc1-c1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2314490556 YXJFLPDRZSQXRX-UHFFFAOYSA-N 501.365 6.133 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591992 JACHMZXNPBOKMQ-QHCPKHFHSA-N 538.456 6.375 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccco2)cc1 2314593080 HHAMYLMAOGQTPV-QHCPKHFHSA-N 559.997 6.257 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 2314617319 VWWLKDJDNSUVPD-UHFFFAOYSA-N 507.329 5.775 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331343109 UFQKKFKXYVUJDU-QHCPKHFHSA-N 503.649 6.144 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCOc3cc(C)c(Cl)c(C)c3)n2)cc1C(C)C 2331356063 JZOBBGLTSQKNPC-UHFFFAOYSA-N 511.087 8.173 50 10 KKGE CN(Cc1ccc(I)c(Br)c1)[C@H]1CCCCC[C@H]1Br 2349823850 GNMIKFVQQHWXHT-DOMZBBRYSA-N 501.044 5.582 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)c1Br 2362248125 AHZAHDHSFBIYJC-GFCCVEGCSA-N 617.703 7.699 50 10 KKGE Brc1ccc(I)cc1CO[C@@H](CI)c1ccccc1Br 2367601680 LUKWFUUJBKEDSA-HNNXBMFYSA-N 621.876 6.509 50 10 KKGE C=CC[C@@]1(CBr)CCCN(Cc2ccc(I)c(Br)c2)C1 2377318870 VOFUINWILQQVHS-INIZCTEOSA-N 513.055 5.607 50 10 KKGE CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 2059296 CSMHROULSVMVLH-IUXDBEIKSA-N 547.891 8.143 50 10 KKGE O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]23)c1 6445750 JASJDTCBMZNUBV-XZCYHHARSA-N 549.958 7.560 50 10 KKGE CCCCCC[C@@H](I)CC[C@@H](I)CCCCCCCC(=O)O 11616643 ITMYMILZKSEQKJ-SJORKVTESA-N 536.276 7.160 50 10 KKGE in-man COc1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 32016715 CZPRNNJHDKHSJW-UHFFFAOYSA-N 516.644 7.008 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)c1 38684822 ZZIRKPFEDKQFPU-SSEXGKCCSA-N 512.606 6.021 50 10 KKGE COc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 40816297 RDEAAYZQYTUHNE-VUTHCHCSSA-N 516.381 5.391 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212785 JGCIUVZGWOPDFE-UHFFFAOYSA-N 597.318 5.092 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 101243300 CVEMKBHPDGQINQ-RCHXBHARSA-N 530.093 6.767 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101293611 RSZIKFBBUYLHGS-HKBQPEDESA-N 565.025 6.921 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)c1 101314714 MDEUDDFOUNPVBE-XMMPIXPASA-N 549.435 7.210 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 101337052 RZWACIPTIQOAHT-APWQXFQUSA-N 564.686 6.044 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379680 VUOYOOAQLOOMMY-PNSSKLJMSA-N 534.999 6.756 50 10 KKGE Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381208 YNMSBKOJCFZBJB-HKBQPEDESA-N 601.486 7.392 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 101383101 KTSZLPLKMLKMEW-NDEPHWFRSA-N 553.958 6.265 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4cccc5ccccc45)ccc32)ccc1OCc1ccccc1F 101386783 OYBXJXVLZQPECY-PGUFJCEWSA-N 586.619 6.933 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1F 101389046 PGZKZOUYMRJSSL-UMSFTDKQSA-N 608.666 7.276 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cccc(Cl)c4c3Cl)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 101391875 QWHCBBUBWKWFMZ-FQEVSTJZSA-N 538.368 6.554 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Oc5ccc(Br)c6cccnc56)c(C)c43)coc2c1 101620503 PIFFZMRAVUCWMX-PPOKSSTKSA-N 600.469 6.880 50 10 KKGE N#CC1=C(N)OC2=C([C@@H]1c1ccccc1Br)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 102066213 YSPZASRKMSHYET-JOCHJYFZSA-N 538.398 5.115 50 10 KKGE Cc1ccc2c(c1)c(/C=C(/C#N)C(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)c(C)n2Cc1ccc(Cl)c(Cl)c1 102471064 CNJBQCWXPAIJFX-UNOMPAQXSA-N 609.560 7.172 50 10 KKGE Cc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1C 102667006 NZWXAQUAJLXSGM-CCUBOOHYSA-N 522.457 6.675 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(CCc2ccc(OC)c(OC)c2)C(=O)CCl)cc1OC 102779707 JYXJUPLDNGZVIW-SSEXGKCCSA-N 575.146 5.691 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 102932888 CWTCGTOALODLPN-PDGQHHTCSA-N 576.790 6.929 50 10 KKGE N#C/C(C(=O)NCc1ccco1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 103741777 NXWIXJIESNDKCI-QBHDBVHESA-N 542.842 5.438 50 10 KKGE O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2cc(Br)ccc2o1 103879455 CZMKYILVULXNME-XAZZYMPDSA-N 568.254 7.998 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 103884573 IPKFJYFQDJNWEE-KOEQRZSOSA-N 562.497 6.565 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(I)cc1 103887816 SXXHVXPBOWKKEO-ODLFYWEKSA-N 603.254 6.495 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C[C@@H](C)Br)CC[C@]4(C)[C@H]3CC[C@@]21C 118921005 YAHXNVGUCZQYAB-SENADXEMSA-N 535.651 9.113 50 10 KKGE FC(F)(F)c1cc([C@H](Cl)c2cc(Br)sc2Br)ccc1Br 124605245 KTZMHTIALBROEM-JTQLQIEISA-N 513.398 7.383 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)cc2)nn1 135714781 AEMLVGSXPNBJDS-DTQAZKPQSA-N 569.466 5.149 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(I)cc1 150432149 IEPUREZNQKKTCT-DLOXVRGRSA-N 642.534 6.360 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)cc2)cc1Cl 150478036 ZRKZGTXEMDFMBY-WJOKGBTCSA-N 633.503 8.328 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 150497543 TXQAJSWAILRKNR-PPOKSSTKSA-N 655.154 7.615 50 10 KKGE CCOC(=O)C1=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OCc2ccccc2)c1 150591376 OFSPVEBKXYQUIA-BBCSSXLLSA-N 641.749 5.059 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205650646 XJJCPSLWBJOLKW-MXFWZIMISA-N 540.616 6.110 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c1 205658681 NNJGHPPFSNFJQV-GRIRWOKCSA-N 508.618 6.610 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 214327656 CGJMFZIPTRUFBW-WIUSZDIKSA-N 550.659 5.654 50 10 KKGE Clc1cc(Br)cc([C@H](Br)c2cc(Br)ccc2Br)c1 236068120 LFASEOJFGGNFJS-ZDUSSCGKSA-N 518.268 7.112 50 10 KKGE Fc1cc([C@@H](Br)c2cc(Cl)ccc2I)c(F)cc1Br 236221233 PTCCYIGMDPIWRY-CYBMUJFWSA-N 522.352 6.470 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 247523819 MILYVWHUDKCSIS-KPAUSGCBSA-N 924.727 18.718 50 10 KKGE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)o1 254305375 OYZNDKQLIFIBPC-IVVWWNTOSA-N 537.576 5.150 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 254551131 ZCYSUKUMNVRFSC-DJNCDUOWSA-N 551.603 5.622 50 10 KKGE Cc1cccc(C(=O)Oc2c(Br)cc(Br)cc2C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c1 254618297 LBONZWZOOFMILB-DWTMDSCFSA-N 667.379 6.722 50 10 KKGE CCOc1ccc(-n2c(SCC(=O)NN=Cc3ccc4c(c3)c3ccccc3n4CC)nnc2-c2ccccc2)cc1 254734427 UFANIFRMNVBAGV-UHFFFAOYSA-N 574.710 6.703 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(OCc4ccccc4)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 254743503 FHWVNNFWDWLGGK-UHFFFAOYSA-N 593.709 6.081 50 10 KKGE CC(=NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254850766 DFTWNMPZYUAKMT-UHFFFAOYSA-N 516.395 5.967 50 10 KKGE CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](Cl)[C@]45O[C@@H]4[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C 256101433 HAAIKLIMLBUYHH-VFCMWPBTSA-N 627.303 5.278 50 10 KKGE C[C@H]1Cc2cc(Br)cc([C@H](Br)c3scc(Br)c3Br)c2O1 720043096 NBBZIEDADCUAGO-KGFZYKRKSA-N 545.916 6.843 50 10 KKGE O=C(Nc1ccccc1-c1ccccc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725238590 VYFWGINGUOOOKJ-VWLOTQADSA-N 528.983 7.386 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 1083892740 ISWKQVMKOICSJJ-VWLOTQADSA-N 501.410 5.935 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1083991072 CVHLMYQOTZWFLU-UHFFFAOYSA-N 610.092 5.318 50 10 KKGE CC(=NNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 1083999737 RLWTZSLOAOWWMF-UHFFFAOYSA-N 504.439 5.346 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 1084010525 PXGFPSJNBKVVND-JOCHJYFZSA-N 536.253 6.299 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084082569 WGSCUARYHNYLEO-UHFFFAOYSA-N 629.566 6.072 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1084087054 SRDCELFFXSMSNS-UHFFFAOYSA-N 609.546 5.601 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 1084404855 KASICTKPYFVYCJ-UHFFFAOYSA-N 522.501 7.598 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1 1084437040 LYTQVZVCZREAAP-QFIPXVFZSA-N 627.704 6.250 50 10 KKGE Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)c21 1772749106 JSSRGOXXZRDXQD-UHFFFAOYSA-N 517.969 6.658 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)ccc1Cl 1772752100 UNQUXGNGRIUVRY-UHFFFAOYSA-N 518.997 6.531 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)cc1 1772752928 BGCBSGYIFWVLPS-UHFFFAOYSA-N 506.397 5.306 50 10 KKGE COC(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12 1775953890 RRAYXAMWYJUTBJ-BBGPTICMSA-N 512.760 5.235 50 10 KKGE in-vitro CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](SC)O[C@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)[C@H](O)[C@H]1O 1848436616 OYSKUZDIHNKWLV-LWKRWBSJSA-N 663.406 6.422 50 10 KKGE CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@H]2C[C@@H](CCC)CN2C)[C@@H](C)Cl)O[C@@H]1SC 1848436617 OYSKUZDIHNKWLV-UDAKLKTASA-N 663.406 6.422 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2F)ccc1O 1865681653 SLYNJBODTCYVPR-VWLOTQADSA-N 512.541 5.069 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865689208 MPUNCOLZBJCNAP-RUZDIDTESA-N 512.997 5.801 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OCc1ccc(C)cc1 1865695159 LNHYKYPMCOCEQW-VWLOTQADSA-N 564.539 6.204 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)cc1OC 1865695164 LPXQNEGNPKTBKX-MUUNZHRXSA-N 536.632 6.344 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)cc1OC 1865696232 KWZNZKYZJNFDBB-QFIPXVFZSA-N 512.532 5.746 50 10 KKGE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865698306 PSLXTDBVTSCYMW-HSZRJFAPSA-N 571.903 6.314 50 10 KKGE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OC)c1)C(C#N)=C(N)O2 1865700768 DBKAHBAGYKJZAG-HHHXNRCGSA-N 561.469 6.606 50 10 KKGE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865704024 LCAJJTQPIRZFDN-UMSFTDKQSA-N 574.684 7.857 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711950 LWGWAVUCKGEBJW-DEOSSOPVSA-N 559.941 5.288 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865712081 PARJSTMYFRMCQM-XMMPIXPASA-N 533.415 6.141 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O3)cc1 1865712972 NGYMRRBDLAYRBA-HSZRJFAPSA-N 513.941 5.387 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1865713985 AGKFDIUXCIRFOQ-MRXNPFEDSA-N 526.258 5.089 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCc4ccccc4[C@@H]3C(C)C)n2)c1 1868505608 JZGAGEOIXSQFCU-LJAQVGFWSA-N 507.663 7.229 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(O)/C(=C\c3ccccc3)c3ccccc3)n2)cc1Cl 1872755842 IWLLBRYQYFLTKF-DSJFKJOZSA-N 505.426 8.159 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCCCc1ccccc1 1872792643 JRXIOFLNTSAFHF-WPWMEQJKSA-N 508.687 8.128 50 10 KKGE COc1cc(Br)cc(/C=C(\C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)c1O 1872794806 XRBBHQHUKAUHLP-KGVSQERTSA-N 512.212 6.666 50 10 KKGE CCn1ncc(Br)c1[C@@H](Br)c1sc(Br)c(C)c1Br 1922932919 QHJUPXUKMJHRDP-MRVPVSSYSA-N 521.898 6.045 50 10 KKGE Clc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)c(Cl)c1 1923054435 FNFFZSMAFSXXHX-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)sc(Br)c2Br)ccc1F 1924584917 DZIPLGUOGYDBKZ-VIFPVBQESA-N 521.869 6.967 50 10 KKGE Cl[C@H](Cc1ccccc1I)c1cc(Br)c(Br)s1 1940445029 HMRINBCJWOVAIW-SECBINFHSA-N 506.428 6.400 50 10 KKGE FC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CC1 1995048873 VBAVOIGFQJTSHL-SECBINFHSA-N 544.676 6.675 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CCCC1 2025781941 JVHUAMZIXUZJOQ-GFCCVEGCSA-N 510.289 7.207 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCO1 2025783661 VNRSWRAOPCDWEQ-WRWORJQWSA-N 512.261 6.196 50 10 KKGE Cc1cc([C@H](Br)c2cc(Cl)c(Br)s2)ccc1I 2026133171 QZYAFDQMTDZABF-NSHDSACASA-N 506.428 6.561 50 10 KKGE Clc1cc(I)c(Oc2cnccc2CBr)c(I)c1 2039670291 OVPSZLYUYFOBRF-UHFFFAOYSA-N 550.359 5.631 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@@H]3C[C@@H]3C2)c1Br 2085496973 YWILNRBTTVDUDU-WAYXCLAOSA-N 566.751 7.219 50 10 KKGE Cl[C@H](c1sccc1I)c1c(Br)c(Br)cc(Br)c1Br 2085497131 VKWMTSVZRSQZKY-JTQLQIEISA-N 650.193 7.731 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2scc(Cl)c2Cl)c1Br 2136373830 GIPYMUIOZCHBLT-LLVKDONJSA-N 507.900 7.681 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C12CCC(CC1)C2 2141468490 KJBMJBDMBHFJHS-OFBKNLNESA-N 536.327 7.597 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cccc(OCc3ccccc3)c2)c1Br 2141468896 OZBQQSXCAGIDEE-GOSISDBHSA-N 668.843 8.800 50 10 KKGE CC[C@@H]1CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)O1 2141473646 RQVFBXOURCLQEU-BOCOKBRWSA-N 540.315 6.974 50 10 KKGE CCCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(Cl)C1 2206398863 ZRIJGDFDEIPZDP-HLCFFCTHSA-N 553.358 6.795 50 10 KKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)ccc1I 2207111210 NWOWVFCHXAIVMS-INIZCTEOSA-N 572.904 7.226 50 10 KKGE CS(=O)(=O)c1cscc1[C@@H](Cl)c1c(Br)sc(Br)c1Br 2272865540 IDFHXLBOPZCWCK-MRVPVSSYSA-N 529.522 5.829 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)c(Cl)s1 2277985405 OYOKSECZLVIDTO-SNVBAGLBSA-N 509.872 7.073 50 10 KKGE COc1ccc([C@@H](Cl)c2cc(Br)cc(Br)c2)c(Br)c1Cl 2283554336 ODIPFQFSZUWLKS-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE COc1ccc([C@H](Br)Cc2ccc(Br)cc2Cl)cc1I 2285011035 PSSOHTYTOWVTQP-GFCCVEGCSA-N 530.425 6.394 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@@H](Br)c1cc(Br)c(Cl)s1 2285059647 YEGGSUZRIWEORH-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE N#CC(=Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc(I)c1 2295178729 SJCFLVKSCGCUKZ-UHFFFAOYSA-N 519.342 5.897 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Cl)Cc1cc(Br)cc(Br)c1 2295273997 FAOORZVAQLNAMS-GFCCVEGCSA-N 505.834 7.289 50 10 KKGE N#CC(=CNc1ccc(F)c(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2296024819 KCFWCYYLYPWOIO-UHFFFAOYSA-N 502.752 6.448 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)cc1 2296544467 JRYOPUNCTHETHI-UHFFFAOYSA-N 526.401 5.749 50 10 KKGE N#CC(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2297456605 LUBJQOQOXUJQOI-UHFFFAOYSA-N 535.379 6.210 50 10 KKGE CC1(C)COC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2299622659 WBZAEBKBTMZDEG-IYSWYEEDSA-N 511.899 6.144 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1cccc(C)c1 2313567404 JURJQYNRAQFGHU-UHFFFAOYSA-N 556.504 6.321 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1sccc1I 2313819162 NGYFRDLDZPFQMM-VIFPVBQESA-N 544.836 7.045 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccccc1 2314616818 KKKCMDKADWIYBG-UHFFFAOYSA-N 514.541 5.060 50 10 KKGE COc1cc(C=C2C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 2314617914 CZBHQVBEYNPQFH-FQEVSTJZSA-N 527.404 5.352 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314618441 NQNXYRDDEILACP-FYYLOGMGSA-N 540.623 6.216 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCCC(C)C 2314634436 SFZZLGQPGYRPPK-SSEXGKCCSA-N 545.035 6.610 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C)cc4)ccc32)ccc1OCc1ccc(F)cc1 2314643440 XYVBYMKCYOEPJB-UUWRZZSWSA-N 576.624 6.949 50 10 KKGE CCCCNC(=O)C(C#N)=Cc1ccc(OC(=O)COc2ccc(Br)cc2C(C)C)c(OC)c1 2314789549 DSHFDKFLGWOSEU-UHFFFAOYSA-N 529.431 5.389 50 10 KKGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OCCCc2cc(Cl)cc(Cl)c2)C1 2318686906 AWBJZMHAPCAYLJ-HOTGVXAUSA-N 500.204 5.366 50 10 KKGE CCOc1cc(C(O)=C(C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OCC)c1OCC 2331311504 OOEQJMUHGLLKBB-UHFFFAOYSA-N 505.423 7.263 50 10 KKGE COc1ccc(-c2csc(C(C#N)=Cc3cc(Br)c(OC(C)C)c(OC)c3)n2)cc1F 2331455738 LRVOKBXQEWIOIC-UHFFFAOYSA-N 503.393 6.580 50 10 KKGE BrCc1ccc(Br)cc1OCc1ccc(I)c(Br)c1 2349804621 FTGZFFMEXDLJQH-UHFFFAOYSA-N 560.849 6.290 50 10 KKGE O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 4761625 CEYDFHDJWCRBLT-QLQYKETESA-N 568.555 7.431 50 10 KKGE Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccc(Cl)cc3Cl)nc12 33588013 HYZZRXOTMKEFDU-LDADJPATSA-N 505.361 5.325 50 10 KKGE Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c1 40816306 WKSHHZJVLJESEQ-NDZAJKAJSA-N 514.409 6.000 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 58894321 KXESTIPALDFEEO-PGHBFPSBSA-N 526.633 6.180 50 10 KKGE Cc1cc2ncn(CC(=O)N/N=C3/C(=O)N(Cc4c(Cl)cccc4Cl)c4ccccc43)c2cc1C 59167644 PQLVCIQFBYMVSS-QCKNELIISA-N 506.393 5.027 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2 59336286 MZSAXMDXEYTSJR-VCHYOVAHSA-N 511.361 6.245 50 10 KKGE CC(=O)O[C@@]1(C(=O)C(Br)Br)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 77287078 FXRCFNRZJNQXRW-PTBPQGHKSA-N 516.270 5.115 50 10 KKGE in-vitro CCCCCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 100147091 OKYZLWIUTAAUDI-UHFFFAOYSA-N 532.666 5.156 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)cc1 100235415 HZKSQQWHXGMWHH-ZZJXEYPFSA-N 580.306 6.698 50 10 KKGE O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100291153 HHZPSGNIVQZQCD-XCVCLJGOSA-N 597.716 5.132 50 10 KKGE CCOc1cc(/C=N/NC(=O)COc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869696 IDRAEQAXYYICCL-FDAWAROLSA-N 528.561 5.004 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034264 WLLNQVZUSSMAAW-YBFXNURJSA-N 607.629 6.516 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CC[C@@H](CC)C2 101193835 CNRNFHOTTZFZBV-WTNDLDAUSA-N 543.472 7.552 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 101243856 SEXJYDGCBZHKEU-LIPCVEQPSA-N 553.728 6.732 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244524 DUEKCCTXXXVUCQ-VWOOYDPRSA-N 536.484 7.182 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OC 101307552 SEIVIYGNPBYJJA-XMMPIXPASA-N 579.461 7.219 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101338613 PMWOUJNKJXQWAG-OCSSWDANSA-N 623.540 7.960 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2Br)cc1Cl 101370330 QILUSFNOOBEDOX-JOCHJYFZSA-N 560.231 6.592 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCCC(C)C 101375033 GZJLSXDZUARRBH-WJOKGBTCSA-N 556.659 6.330 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)cc5)ccc43)cc2)cc1 101378489 MCMUVEBWZAYLIT-HKBQPEDESA-N 553.014 6.430 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1 101380769 DXLNPTZEQWUTTH-MDNUBFPJSA-N 574.652 7.539 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101388537 LLQPDHKHUYPSHZ-VEVGWOLYSA-N 609.078 7.163 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(Br)cc3)c(C)c2c1 101391502 SRNAXODZPVUAKR-RUZDIDTESA-N 529.390 6.504 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCC)cc1Cl 101394692 NBJSMHGWGBUVJO-MHZLTWQESA-N 567.469 7.398 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Nc3ccc(I)cc3)c(C)c21 101593926 QXYTVUKVPBXIAS-ZXVVBBHZSA-N 527.362 5.224 50 10 KKGE Cc1c(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613767 OBAAOPPHFHDGCZ-JGRMKTMXSA-N 605.478 5.872 50 10 KKGE Cc1ccc(Cc2nc(N3CCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1 103147225 UBGUPGWAISILGI-GDLZYMKVSA-N 569.084 5.791 50 10 KKGE N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1I 103743220 XUQSXMAPIZBFNM-LGJNPRDNSA-N 515.738 5.159 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccc(C)cc1 103881084 HNUSNLMMLBRNET-QLQYKETESA-N 564.085 7.766 50 10 KKGE C/C(NNC(=O)C(c1ccccc1)c1ccccc1)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103920676 XSKXFTSHEFTUIM-SZXQPVLSSA-N 531.572 5.073 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 205665787 LHOXQOCSPKVJOI-SCQRWLDGSA-N 544.607 6.420 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3F)c(OC)c2)cc1 205668829 QJKUURCXXCBWLT-JJTYUNECSA-N 578.596 6.259 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 206397515 TYCWOASLSJVBDI-PPMRHPIESA-N 505.574 5.555 50 10 KKGE CC(C)(C)[Si](OCC1=C[C@H](OCOCc2ccccc2)C2=C[C@H](O)O[C@H](CO)[C@@H]2[C@@H]1OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 208329125 RKLZMEQGFZXALC-DXGJBRBSSA-N 706.908 5.540 50 10 KKGE CC1=C(C#N)C(=O)N(C(C)C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1 214250169 AYDMBOIYDHRZJH-QRQIAZFYSA-N 546.602 6.258 50 10 KKGE COc1cc(Cl)c([C@H](Cl)c2cc(Br)ccc2I)cc1Cl 234901859 HDSFHJSYSNRTHE-AWEZNQCLSA-N 506.392 6.697 50 10 KKGE COc1ccc(N2C(=O)[C@H](O[C@]3(C)C[C@@H]4[C@H](C[C@@H]3Br)C4(C)C)[C@H]2C#Cc2ccccc2)cc1 252600408 DQUSZKHWPBFKMI-RTADABNASA-N 508.456 5.436 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(=O)CI)CC[C@]4(C)[C@@H]3CC[C@@]12C 254504546 UZTFVVKXFMOMLY-HYMDRBFZSA-N 556.613 8.455 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc(C=NNC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2)cc1 254510050 UMZQRVNMCWZZBR-UHFFFAOYSA-N 564.598 5.036 50 10 KKGE C[C@@H](Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1 254843640 FZYFDNMRQOCOBX-JOCHJYFZSA-N 583.117 6.956 50 10 KKGE O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1 254852753 MYPQFUQFLDBWRI-RRBNUGITSA-N 503.480 5.877 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2cc(Br)cc(Br)c2)c(C)c1Br 312723883 GTROGUPYALWBJC-INIZCTEOSA-N 525.904 7.384 50 10 KKGE Cl[C@H](c1cc(I)ccc1Br)c1cc(I)cc2c1OCC2 379945700 CXMMBUYWFBSNKH-CQSZACIVSA-N 575.409 5.921 50 10 KKGE Br[C@H]1CC[C@@H](Br)[C@@H](Br)CC[C@H](Br)[C@@H](Br)[C@H]1Br 585669578 KRBVZSQJTHCENM-WBBBMGQGSA-N 613.646 6.141 50 10 KKGE O=C(Nc1ccccc1Oc1ccccc1)[C@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725237334 DLHCYUMXYYPQAP-VWLOTQADSA-N 544.982 7.511 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1cccc(Br)c1 1083904734 CRSWTZUQKKXLMI-UHFFFAOYSA-N 599.938 5.856 50 10 KKGE COc1ccc(C(C)=NNC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 1084009783 RKHYVXGVINSDJW-UHFFFAOYSA-N 520.438 5.122 50 10 KKGE CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c2ccc(C)cc2)cc1 1084168343 MMOMUZJQKTXRNB-UHFFFAOYSA-N 579.122 5.800 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1Cl 1084191136 WTPJBXYWCVIKEF-JCMHNJIXSA-N 566.883 5.946 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 1084205632 MKALJBRRZSWSOZ-XMMPIXPASA-N 585.451 5.098 50 10 KKGE CCOc1ccccc1N(CC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccccc1 1084240413 SGULDFYJCFXVRF-UHFFFAOYSA-N 565.095 5.492 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2ccccc2)cc1 1084286289 QBAYOGLTIOYHNS-UHFFFAOYSA-N 585.513 5.755 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2Br)c1 1084506751 BSPULOZFHIWKER-UHFFFAOYSA-N 576.672 7.263 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)NN=Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1 1565517539 LPKXQEVZWVPRAG-UHFFFAOYSA-N 635.106 6.632 50 10 KKGE C/C(=N\NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615526637 VDGYFRFEYKRYKQ-ITZHSBMNSA-N 836.028 5.932 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719651 IZLHXHWRGFPSCA-UHFFFAOYSA-N 575.621 6.301 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cccc(F)c2)cc1OCC 1865689824 XGUFJJSOZWTXCW-FQEVSTJZSA-N 502.468 5.105 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc(Cl)c2)cc1OC 1865690921 FAOFBYBJSKMMBA-OAQYLSRUSA-N 543.849 5.866 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCCCc1ccccc1 1865696806 LBUVIUDQINWLSC-GDLZYMKVSA-N 575.496 6.785 50 10 KKGE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865704598 ZQHONFIPJZEPTE-HKBQPEDESA-N 556.666 7.165 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 1865705590 ZRVFNGSGASNDEG-HHHXNRCGSA-N 575.452 6.301 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccc(F)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866650664 ULJFSOCDLPGDGO-AREMUKBSSA-N 528.609 5.579 50 10 KKGE Cn1c(SCCC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)nnc1-c1ccccc1 1867075562 LZWVAZXWICMXBR-DEOSSOPVSA-N 528.663 5.034 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3cccnc3)n2)cc1OC 1868564799 FHDMPKCPWKHHCJ-LADGPHEKSA-N 540.649 5.575 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4cccnc4)n3)C[C@@H]2c2ccccc21 1868566331 XDTUMBCIEMTMPY-RUZDIDTESA-N 533.661 5.536 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OCCc1ccccc1 1872780818 MYTOVAURQYJMDM-PXLXIMEGSA-N 517.448 7.267 50 10 KKGE CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)cc1 1872793988 DPNYMTSLRQMZMY-HZHRSRAPSA-N 500.067 7.871 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1scc(Br)c1Br 1923055197 QHOHDYXNJMQZRP-RXMQYKEDSA-N 609.222 7.997 50 10 KKGE Cc1nn(C)c(Br)c1[C@H](Br)c1cc(Br)c(Br)s1 2013203660 ZROAKUHOVMPRDY-MRVPVSSYSA-N 507.871 5.562 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2cc(Br)cs2)c1Br 2024291462 AOEWCFIQEGJYJC-GFCCVEGCSA-N 503.879 6.828 50 10 KKGE CCCCC[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025783663 VNSCBBWFUBEUFX-SECBINFHSA-N 512.305 7.597 50 10 KKGE Fc1ccc(I)cc1[C@H](Cl)c1ccc(Br)cc1Br 2083318227 NPISILTZDWUAQI-CYBMUJFWSA-N 504.362 6.284 50 10 KKGE Brc1sc(Br)c([C@@H](Br)C2C3(CCC3)C23CCC3)c1Br 2139148353 NODAGIVLVVEIPA-MRVPVSSYSA-N 533.949 7.442 50 10 KKGE C[C@@H]1CCCC[C@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469266 UFIVECUAMZEABZ-WFEFGEHDSA-N 538.343 7.843 50 10 KKGE C[C@H](CC(F)(F)F)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141469268 UFXPKPKCWTZECT-KNODYTOMSA-N 552.248 7.605 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)sc1Br 2141470784 KTWKKXHIHUGIFA-NSHDSACASA-N 661.671 8.353 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CS(=O)(=O)C1 2141472306 CAANLPYJMGOUFP-SNVBAGLBSA-N 604.778 5.607 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Cl)c2cc(I)ccc2Br)c1Br 2201074592 AQCXILVVPUSQMN-HNNXBMFYSA-N 593.322 7.524 50 10 KKGE COc1c(Br)cc(C)cc1[C@H](Br)c1cc(Br)ccc1Br 2203831032 ZZXBXLSURDZQHP-CQSZACIVSA-N 527.876 6.775 50 10 KKGE Cc1cccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1F 2206405672 OHLYHGYPVJFUSL-CYBMUJFWSA-N 550.285 7.512 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 2206605630 QRIPQDNECFGHEB-AWEZNQCLSA-N 530.425 6.461 50 10 KKGE O=C(Nc1cccc(CCBr)c1)c1ccc(Br)cc1I 2207272064 LWIRHONDEFOCAJ-UHFFFAOYSA-N 508.979 5.243 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ncsc2Br)c(C)c1Br 2220149483 BSINZRQRDBMXEK-SNVBAGLBSA-N 518.894 6.532 50 10 KKGE Cc1sc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(C)c1Br 2234468364 CPLGZTZCODJDFX-LBPRGKRZSA-N 675.698 8.662 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)co1 2244201323 PYFFOOPTVSVUJJ-LURJTMIESA-N 514.258 6.766 50 10 KKGE Clc1cccc([C@H](Br)c2cc(Br)sc2Br)c1Br 2248096318 NDZNAIHEQAVMGM-VIFPVBQESA-N 524.297 7.173 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(I)sn2)c(C)c1F 2253515201 ADWIXOICPMSNOF-LLVKDONJSA-N 504.988 5.750 50 10 KKGE Clc1ccc([C@H](Br)c2cc(C3CC3)c(Br)s2)cc1I 2268273434 KGAKPGOVOSBNEN-ZDUSSCGKSA-N 532.466 7.130 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(F)c(Br)cc2Cl)s1 2282900614 XXAOXZZEYBMGBB-LBPRGKRZSA-N 507.444 6.696 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1ccc(Cl)c(I)c1 2288350653 BBLGUWUYIYEDBI-GFCCVEGCSA-N 556.797 7.076 50 10 KKGE Cc1cccc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c1I 2288495339 SBTQMODGJBUXTH-LLVKDONJSA-N 580.830 6.887 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Br)cc3)o2)sc2c1CC[C@@H](C)C2 2296500370 MBORIWWEWWWVIQ-OAHLLOKOSA-N 539.451 6.618 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2 2296851817 MXZUBCLLPFAUGK-UHFFFAOYSA-N 510.619 5.972 50 10 KKGE O=C(C=Cc1ccco1)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1Cl 2297455715 GXUOOOXGPLKCLX-UHFFFAOYSA-N 508.155 5.732 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1OC 2297491208 AOSINGNOEOZEMF-UHFFFAOYSA-N 532.662 7.024 50 10 KKGE Clc1cc(I)c([C@H](Br)c2cc(Br)ccc2I)s1 2300952799 AJNOJKOYCJCMDI-SNVBAGLBSA-N 618.297 6.858 50 10 KKGE Fc1c(Br)cccc1[C@H](Br)c1sc(Cl)cc1I 2300953522 KHJRARFTCASTSE-VIFPVBQESA-N 510.391 6.392 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 2313570792 GLHWBWKBGXLNIC-UHFFFAOYSA-N 536.640 7.534 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)ccc1I 2314456768 ZOFXMEBQFLCWPK-NRFANRHFSA-N 572.078 7.425 50 10 KKGE CCOc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314591795 FCQSLIYOHVNCEU-MUUNZHRXSA-N 525.674 6.582 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314592872 DASQNCZNDRPOSV-NFQMXDRXSA-N 513.638 6.253 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(F)c1 2314610163 DEJOOJQLSUWBKF-UHFFFAOYSA-N 502.549 5.779 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 2314640615 DCHMXZVQRDIVSI-YTTGMZPUSA-N 599.470 7.418 50 10 KKGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 2324762517 WFQDLURORGCPQK-UHFFFAOYSA-N 504.678 5.282 50 10 KKGE CCOc1ccc(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c(OCC)c1 2331386532 JXWDXPNBEDJVAO-XMMPIXPASA-N 517.607 5.721 50 10 KKGE COC(=O)c1ccccc1N1C[C@H](C(O)=C(C#N)c2nc(-c3cc(C)c(OC)cc3C)cs2)CC1=O 2331402673 DSYPVHJIUKCMEN-QGZVFWFLSA-N 503.580 5.068 50 10 KKGE COCC(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]1CC[C@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H](CC(=O)[C@H](C)C=C(C)C=O)[C@H](C)C[C@@H]2CC[C@H](OCCO)[C@@H](OC)C2)O1)OC 2333231310 IWYZQBWTMLODNQ-JDPPXZGBSA-N 958.240 6.653 50 10 KKGE Fc1c(F)c(F)c([C@H](Br)c2sc(Cl)cc2I)c(F)c1F 2364121090 CMYMWKRVYWBRSS-YFKPBYRVSA-N 503.455 6.186 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2scc(C)c2Br)c1Br 2365214758 DLEUMRWNBJUGPF-GFCCVEGCSA-N 547.932 7.145 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1OCc1cc(I)ccc1Br 2367602327 ROUBJKLKXAFIDA-SOUVJXGZSA-N 518.027 5.147 50 10 KKGE Clc1cccc([C@@H](CI)OCc2ccc(I)c(Br)c2)c1 2377594723 LCSXKLUMSDZVFM-OAHLLOKOSA-N 577.425 6.400 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2c(Cl)cc(Cl)cc2Br)cc1 9779851 KFLWKMCGSHDUBA-UHFFFAOYSA-N 518.235 5.555 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1 35445880 GOTLSMZREWIQKD-NMWGTECJSA-N 508.647 6.986 50 10 KKGE COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(C)cc2)c1 35446147 QFVFCWACGVZHJP-NLRVBDNBSA-N 506.606 5.486 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1)C(=O)NC[C@@H]1CCCO1 35446224 DHTWESALEVUKRB-HCSHXEOKSA-N 522.580 5.460 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)c1 38684236 OQWBEXMBJDQLBA-NDEPHWFRSA-N 514.578 5.566 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)ccc1OCCC(C)C 38684346 GXBGUYQSMIPCDB-AREMUKBSSA-N 504.608 6.009 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 40825785 VHIICWGQMRZTAB-AJBULDERSA-N 507.377 6.166 50 10 KKGE COc1ccc(/C=N/NC(=O)CCCSc2nnc(CCc3ccccc3)n2-c2ccccc2)cc1OC 58987610 UIYSMGKIBHOFLL-MWAVMZGNSA-N 529.666 5.092 50 10 KKGE O=C(CCCCCCCC(=O)NNC(=O)COc1ccccc1-c1ccccc1)NNC(=O)COc1ccccc1-c1ccccc1 100092651 MCYCITQLFGZJSZ-UHFFFAOYSA-N 636.749 5.504 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 100869708 CQQXUHIMCMCUOU-QXUDOOCXSA-N 596.080 5.416 50 10 KKGE N#CC1=C(S)N(c2cccc3ccccc23)[C@@H](c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)NC1=O 101208233 WYOKELWCFLZMMG-QHCPKHFHSA-N 525.939 7.072 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)cc1F 101336676 KEMHFPGXGUYIQP-WGOQTCKBSA-N 550.590 6.243 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)cc1 101361576 XQCRJMBUAZPLIU-GOSISDBHSA-N 600.669 7.165 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc32)cc1OC 101367991 TYBXSKNEPOAKKS-XGJWTVBASA-N 579.480 7.408 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(OC)cc4)ccc32)cc1OCC 101374790 ZNBKVAWVFJYCKD-WJOKGBTCSA-N 542.632 6.029 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3Cl)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101379780 JPSQJCKIOOFAEB-SSEXGKCCSA-N 573.432 6.775 50 10 KKGE CCCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)c1 101382983 YFJMWVQWZPWNIY-YTTGMZPUSA-N 581.068 7.535 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1F 101389111 GVJRPKKHYJXWNI-MGBGTMOVSA-N 615.057 6.968 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)C)cc2)oc2ccc(Br)cc12 101390064 LKUMRGHVONEEJX-AREMUKBSSA-N 543.417 7.065 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1OC 101393252 QGCFMRYKCJAMDP-HKBQPEDESA-N 566.654 7.373 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)cc1OCC 101395340 SMNBUPJCNLRLBW-AREMUKBSSA-N 609.531 8.223 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 102665973 CEDKVQLAPZBVFF-BSSRNLCFSA-N 576.472 5.691 50 10 KKGE CCCOc1ccc([C@H](C(=O)NC2CCCCCC2)N(C[C@@H]2COc3ccccc3O2)C(=O)CCl)cc1OC 102779659 YTSRLMPWDDQSGB-RNWIMVQKSA-N 559.103 5.272 50 10 KKGE Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)NCc2ccco2)N(c2ccc(Br)cc2)C1=O 103741810 VJJPRZQTKMXKRB-FNBPXTNNSA-N 522.424 5.093 50 10 KKGE COc1cc(Br)c([C@H](Br)c2csc(I)c2)cc1OC 124416881 AQWXPHUOLXXRTC-CYBMUJFWSA-N 518.008 5.617 50 10 KKGE Brc1cc2c(cc1[C@@H](Br)c1csc(I)c1)OCCO2 124419935 UWFPTSOZPCFQPW-ZDUSSCGKSA-N 515.992 5.371 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150404906 WWCLHVUBLYHCCY-LLVKDONJSA-N 635.534 5.774 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)ccc1OCc1ccccc1F 150443342 SBXSRHWVYGVFJP-GDLZYMKVSA-N 661.538 8.762 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)c1 150452580 LFXNDZXLOXTZNN-VUTHCHCSSA-N 640.165 6.016 50 10 KKGE CCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC 196394359 MWZXHAXMAVEYGN-UHFFFAOYSA-N 630.057 5.604 50 10 KKGE Cc1ccc(C(Nc2ccccc2SSc2ccccc2N)(c2ccccc2)c2ccccc2)cc1 199048563 UDTOQRHNTPYIHD-UHFFFAOYSA-N 504.724 8.781 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214276297 ORAKXKKABBFQRA-QRQIAZFYSA-N 512.613 6.257 50 10 KKGE COc1ccc(CC(=O)Nc2ccc(C(C)=NNC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1 252605624 GKUUYIGZFIUTGZ-UHFFFAOYSA-N 528.612 6.246 50 10 KKGE CCN(C(=O)[C@@]12CC[C@@](C(Br)Br)([C@H]1Br)C2(C)C)c1ccccc1 256019114 MHJSIUAPNUVXNT-JEBQAFNWSA-N 508.092 5.725 50 10 KKGE CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C1\C[C@H]3CC[C@@]1(C)[C@]3(C)CBr)[C@H](Br)C2=O 256020036 SNRXUXZNCDKRMT-UVWKILPVSA-N 503.275 5.266 50 10 KKGE c1ccc(P(c2ccccc2)c2oc3ccc4ccccc4c3c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1 642814485 ZVXJDKLGFSQVIL-UHFFFAOYSA-N 624.745 10.784 50 10 KKGE Cc1cccc(COc2c(Cl)cc(C=NNC(=O)CC[C@@H](O)c3ccccc3)cc2Br)c1 725403740 APTPWABIEUTWCM-HSZRJFAPSA-N 515.835 5.954 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 725414697 IEXANRUHQVMHQU-HHHXNRCGSA-N 517.025 6.435 50 10 KKGE C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]43C)[C@H]1CC[C@H]2CI 1076432072 VJCWEUYDXCVIJK-MAEIHESXSA-N 500.505 6.992 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 1083915738 VGEPTYFVUMZMPS-UHFFFAOYSA-N 543.070 7.873 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1083996736 GECBGRVCUVECQE-UHFFFAOYSA-N 721.855 6.798 50 10 KKGE O=C(NN=Cc1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 1084130598 OPPCARPKCXPJJA-UHFFFAOYSA-N 516.257 6.029 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc3c4c(cccc24)CC3)c2cc(C)cc(C)c2)cc1 1084244685 KNOBEUFBIQUORM-UHFFFAOYSA-N 511.647 5.209 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 1084349092 PFIASDZLVRITSX-RUZDIDTESA-N 646.478 5.330 50 10 KKGE O=C(NN=Cc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)Nc1cccc(Br)c1 1084433026 QPBOKYJCAKQGKW-UHFFFAOYSA-N 629.920 5.175 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccccc3)c2C)c1 1084567400 ACBIRUVDQKSOQS-UHFFFAOYSA-N 568.621 5.767 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccccc2)C(C#N)=C(N)O3)cc1 1865680481 MDAAFMMVQVXJIP-QHCPKHFHSA-N 503.389 6.132 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1 1865680803 WFMSITSTKRXVHW-SANMLTNESA-N 502.530 5.330 50 10 KKGE COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865688745 ZRYCWNWEVFVQRT-SANMLTNESA-N 539.422 7.226 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)cc1 1865694099 UIJNNFCVSVTXBV-WJOKGBTCSA-N 556.666 7.488 50 10 KKGE CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865697648 YRKSJGRAJDZCJB-NRFANRHFSA-N 578.294 6.189 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701577 YNSBXXLVSMZILM-XMMPIXPASA-N 566.967 6.409 50 10 KKGE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703849 GVKDWEIGAKEIOD-WJOKGBTCSA-N 542.639 6.784 50 10 KKGE COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c(OC)c1 1865708324 UBVBKMSZRYOSLU-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)cc1 1865708939 JVDZZCWVXIMKAS-XMMPIXPASA-N 526.980 5.265 50 10 KKGE C[C@H](CC(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(SC#N)cc1)c1cccc(Cl)c1 1867183540 DENWHKGGUYNPSO-CLOONOSVSA-N 524.111 6.464 50 10 KKGE COc1ccc(CCN2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(F)c(C)c4)cs3)CC2=O)cc1OC 1872749855 KPOPNAZLKFJROV-LMRHOSECSA-N 507.587 5.159 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)n2)c(OCC)c1 1872794112 KUIWVKGOOPVHIT-PXLXIMEGSA-N 517.050 7.904 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCc1ccc(C)cc1 1872795114 NZISGQUFZTYRBD-LPYMAVHISA-N 517.050 7.822 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1csc(Br)c1Br 1923037246 BZVYQZYFWLUUQZ-YFKPBYRVSA-N 564.771 7.841 50 10 KKGE F[C@@H]1CCC[C@@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 1924569832 AUYJNOXQBKSMBL-ATRFCDNQSA-N 513.890 7.000 50 10 KKGE CC[C@H]1CC[C@H]([C@@H](Br)c2c(Br)sc(Br)c2Br)CC1 1924585054 GTEIVRDLKFVISR-NQMVMOMDSA-N 523.954 7.688 50 10 KKGE Cc1cc(Br)c(CBr)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1 1961952253 CZYXRVYPUBNWAB-UHFFFAOYSA-N 516.321 6.791 50 10 KKGE FC[C@@H]1C[C@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025779795 LSLHVNKOXZPZCS-XOGFGSHOSA-N 514.252 6.622 50 10 KKGE Cc1ccc(NC(SCC(=O)c2ccc(Br)cc2)=C(C#N)c2nc3ccccc3s2)cc1 2053623102 FGLOVNJVXNFFHE-UHFFFAOYSA-N 520.477 7.288 50 10 KKGE CC(C)(C)OC(=O)N1C[C@](C)(CO[Si](C)(C)C(C)(C)C)c2cc(B3OC(C)(C)C(C)(C)O3)cc(C#N)c21 2069450494 KBHZCNWGDKCDBM-MUUNZHRXSA-N 528.575 5.892 50 10 KKGE Fc1cc(Cl)c(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2097833710 FOPREVXLZONLFL-ZDUSSCGKSA-N 538.807 6.984 50 10 KKGE Cc1cc2sc([C@@H](Br)c3sc(Br)c(C)c3Br)cc2s1 2100323427 VCUVZYLGAGNKLX-LLVKDONJSA-N 501.128 7.650 50 10 KKGE CCOC1CC([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141469790 WXMROOKOQGFXGD-RBEJAIPDSA-N 540.315 6.832 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]43)c1Br 2141474263 YPNGIHYAPLDGJJ-SMPFZCFZSA-N 578.762 7.075 50 10 KKGE Cl[C@@H](c1cc(Br)c(Br)s1)c1c(Br)c(Br)cc(Br)c1Br 2141476815 HKCDVJZGHUGSGU-JTQLQIEISA-N 682.089 8.651 50 10 KKGE Cc1nc(I)c(I)n1-c1ccc(CBr)cc1C(F)(F)F 2145240989 CIVURQFUJOUQAO-UHFFFAOYSA-N 570.916 5.304 50 10 KKGE CCOc1ccc([C@H](Br)c2cccc(Br)c2Br)c(Br)c1 2148750071 KJLJMGQWYFLRHP-AWEZNQCLSA-N 527.876 6.857 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(F)cc(Br)c2)c1Br 2201071281 QIQYHVKDGLBOEM-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2202997558 AALNAHSTXHHYCB-ZDUSSCGKSA-N 550.843 6.853 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC(CC2CC2)C1 2206397969 PAJDIUYGPAIBOP-GKHYQBCPSA-N 550.354 7.843 50 10 KKGE CCn1cc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)nc1Br 2206397972 PDBSAPCVNBXNEE-LLVKDONJSA-N 659.634 7.200 50 10 KKGE CCc1nc([C@@H](Br)c2cc(Br)c(Br)cc2F)c(Br)s1 2225615064 CEZVRQICIIHEQK-JTQLQIEISA-N 536.884 6.616 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Br)c(Cl)c2)c(C)c1Br 2235608459 JQUCGSFTZFKBHL-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Brc1cc([C@@H](Br)c2ccc3c(c2Br)CCO3)ccc1I 2238060323 NSUCIYJBJHTHGG-CQSZACIVSA-N 572.860 6.235 50 10 KKGE FC1(F)C[C@@H]([C@H](Br)c2c(Br)sc(Br)c2Br)C12CCC2 2266147418 ZMLUBCJKZKQYTE-FSPLSTOPSA-N 543.891 7.297 50 10 KKGE Clc1ccc(I)c([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1 2277967257 ZNCHICGACKUCCV-ZDUSSCGKSA-N 579.295 7.148 50 10 KKGE Cc1cc([C@@H](Cl)c2c(F)cc(Br)c(F)c2Br)ccc1I 2288349164 MVYPHSNBOBZDLT-CYBMUJFWSA-N 536.379 6.731 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(=O)OC(C)(C)C)c1C 2296167055 QIWRQOUFVCLPOJ-UHFFFAOYSA-N 563.657 6.395 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OCC)c1C 2296790191 VMACWBQFVOSOAV-UHFFFAOYSA-N 511.581 5.239 50 10 KKGE O=C(NN=Cc1cc(Br)c(I)o1)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 2297455797 ZQKHBYNWPBMKLI-UHFFFAOYSA-N 590.215 5.124 50 10 KKGE CCc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)cc1 2297555757 NHIUWBAEYJUSGI-UHFFFAOYSA-N 590.315 8.052 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc2ccccc2c1 2313567745 NWLDVCBROZBOJZ-UHFFFAOYSA-N 596.525 6.836 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c(Br)c1 2314453061 SOIIRNPFDZOTMF-FQEVSTJZSA-N 589.947 8.037 50 10 KKGE Cl[C@H](c1cc(Br)ccc1OCc1ccccc1)c1c(Br)cccc1Br 2314456617 YFPAUEWCIIQXJJ-HXUWFJFHSA-N 545.496 7.881 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1 2314592031 KHTWPSOPDRXDCV-RUZDIDTESA-N 535.591 6.641 50 10 KKGE CCc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314592369 RWUQZPPROZJLOG-RUZDIDTESA-N 536.484 6.929 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2C)cc1C 2314592410 SRYBPMUNFYIEKA-RUZDIDTESA-N 502.039 6.330 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314611472 UXDMKTARZZPSAA-UHFFFAOYSA-N 542.639 6.427 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1C 2314620403 PHUBGIRRCOJMKI-UHFFFAOYSA-N 591.111 7.328 50 10 KKGE COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc21 2314634410 OXZIUXMVTKBYDF-VWLOTQADSA-N 537.797 5.948 50 10 KKGE BrCC(CBr)(Cc1sccc1I)C1CCCCC1 2316754229 GRDBUXQLARXZPM-UHFFFAOYSA-N 506.085 6.252 50 10 KKGE COc1ccc(Cl)cc1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cccc4ccccc34)cs2)CC1=O 2331339227 PELDSASFPLVXTJ-KRWDZBQOSA-N 501.995 6.471 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)c3ccccc3C(=O)c3ccccc3)n2)cc1Cl 2331396464 BZXKJTHUTKOZPF-UHFFFAOYSA-N 507.398 7.306 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=Cc3ccc(OCCCC)c(OC)c3)n2)cc1 2331460478 HFXKXETTYNWIAY-UHFFFAOYSA-N 504.696 8.411 50 10 KKGE Cc1cc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)oc1Br 2337085518 ZESIYSCMCFPCDL-VIFPVBQESA-N 540.246 7.152 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cccc(Br)c2)c1Br 2337092499 RIZDOGUBSVPGBM-LLVKDONJSA-N 536.258 7.251 50 10 KKGE Brc1cc(I)cc(O[C@H]2C[C@@H](Br)C23CCCCC3)c1 2338756933 FEYBCKCGJMHLTH-KGLIPLIRSA-N 500.012 5.919 50 10 KKGE Fc1ccc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(Br)c1 2362222763 DIZQDXUBAJJRKU-LBPRGKRZSA-N 509.797 7.234 50 10 KKGE BrC[C@H](OCc1cc(Br)cc(Br)c1)c1ccc(Br)cc1 2362236808 DFSQMKSFTNGCCZ-HNNXBMFYSA-N 527.876 6.627 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(Br)c1C 2365215151 HRDZRMKWVVEMHF-CYBMUJFWSA-N 529.867 7.214 50 10 KKGE CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 2783188 MUUGDJAFKBBZOO-NKFKGCMQSA-N 503.624 5.829 50 10 KKGE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OCC)c1)C(C#N)=C(N)O2 16754088 BHWZIOBLBFQRCT-NDEPHWFRSA-N 506.606 6.021 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(Oc3ccc(Cl)cc3Cl)nc12 33383537 UMIKLXQFVROSKW-RGEXLXHISA-N 519.388 5.368 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 38686618 VSIUNQBJGGSUPA-PMERELPUSA-N 518.569 6.020 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(Br)c(C)c2)ccc1OCc1ccc(Cl)cc1 40911118 CRNQQJQOAZWKKV-UVHMKAGCSA-N 517.807 5.528 50 10 KKGE COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(C)s1 100688119 AEIDNVVGNNEDSW-HHHXNRCGSA-N 544.702 6.080 50 10 KKGE Cc1cc(C)c(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c([N+](=O)[O-])c1 100869395 RMMFRGGJDPBANT-DOPJRALCSA-N 553.089 5.836 50 10 KKGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 100957152 QRUJIRINFYDIOM-CAKFPMANSA-N 535.044 5.125 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(C(C)C)cc3)S/C2=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 101244100 DDBJNKMQORSJMG-WDPAXVOWSA-N 523.702 6.731 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1C 101244863 XIACHIHIDFHIIH-NLTRVXJZSA-N 521.564 6.387 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Br)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2C)cc1 101245136 PNGDVCBQYSRCDI-MZOFLMDJSA-N 548.462 5.831 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2OC)cc1 101246463 FDBLTGOPVDJNIO-OMBWOSJFSA-N 552.483 6.629 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2cccnc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 101336489 RJUWIKUAYCCZMX-KCSSXMTESA-N 612.089 6.959 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 101340412 PFPBNDNLHDEMOM-CVKSISIWSA-N 567.418 6.233 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c(C)c1 101340454 UIAGGDZXWCVOMH-STBIYBPSSA-N 546.602 6.178 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 101378993 NZRYUVSFAWZAKV-MUUNZHRXSA-N 543.406 7.010 50 10 KKGE CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379820 DDRJLPWUHWZZBD-WJOKGBTCSA-N 567.041 7.144 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101383072 QOUNUIZZOCIDOK-WJOKGBTCSA-N 553.014 6.294 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383116 OMBBPRPJDJEOSX-WJOKGBTCSA-N 565.069 7.654 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386026 IQBXHTDRMRKGOI-LJAQVGFWSA-N 573.432 7.018 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387373 SSQDAIOBAKAQIV-WJOKGBTCSA-N 571.004 6.433 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5c(C)c(C)ccc5c4C)ccc32)ccc1OCc1ccccc1 101392966 WBFUQWXETMTXPN-JGCGQSQUSA-N 586.644 7.383 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 102667312 SRJIPFQNGZZUHS-QNJFXAKOSA-N 522.457 6.675 50 10 KKGE COc1cc(/C(O)=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1OCc1ccccc1 102909618 CFFBCJFRZUHQQF-HKOYGPOVSA-N 588.310 8.417 50 10 KKGE O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 102979763 KSRACKNKJUAABR-ZXPTYKNPSA-N 579.465 5.475 50 10 KKGE CCOC(=O)N/C(=C(/Cl)Sc1ccc(Cl)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 105789420 CBHACFWDGVXMDH-BYYHNAKLSA-O 553.471 7.538 50 10 KKGE CC(C)(C)C(=O)N[C@@H](Sc1nccc(S[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)n1)C(Cl)Cl 106878251 BYJALRPWNAEGQU-FZMZJTMJSA-N 570.823 5.812 50 10 KKGE CN(C)CCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1 138716670 DGDTYGYVAGGUTB-KARKAFJISA-N 512.093 7.794 50 10 KKGE in-vitro O=C(COc1ccc2ccccc2c1Br)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccc3ccccc3c2Br)CC1 150392528 MOCKJUYOVSOMJY-UHFFFAOYSA-N 726.422 5.077 50 10 KKGE COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N\NC(=O)COc2cc(C)ccc2C(C)C)cc(OC)c1OC 150437245 HEAQIHMBPBMLFX-LPEPFOFCSA-N 678.374 6.418 50 10 KKGE c1ccc(CP(c2ccccc2)c2ccc3ccccc3c2-c2c(P(Cc3ccccc3)c3ccccc3)ccc3ccccc23)cc1 198795074 BHBXABDXNPPFRJ-UHFFFAOYSA-N 650.742 10.926 50 10 KKGE c1ccc([C@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)[C@H](NCc2ccccc2P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 210932095 JMBTWUBNZRVXAU-NZUCHVTOSA-N 760.902 9.565 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 214311388 BETLKEZSEBGTND-MIXAMLLLSA-N 543.627 5.906 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)C2=O)cc1 214392407 BKTZOYOTRWYOSY-YUMHPJSZSA-N 558.594 5.112 50 10 KKGE CCCCCCCOc1ccc(/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1OCC 214404118 ZZEBGGNHCKGSPR-OOAXWGSJSA-N 530.665 6.278 50 10 KKGE COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)c3ccc(Cl)nc3)N2C(=O)OC(C)(C)C)cc1 218780748 DVPSASDILOCUKU-BFLUCZKCSA-N 575.222 7.595 50 10 KKGE CC(C)(C)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c1 230588312 GNUDQHDRMQWWBV-HHHXNRCGSA-N 582.107 10.043 50 10 KKGE Cc1cc(F)c([C@H](Br)c2cc(Br)ccc2I)cc1F 235923546 YRAZOFAEMCDXRX-AWEZNQCLSA-N 501.934 6.125 50 10 KKGE Cc1ccc(-c2nnc(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 254698094 MIYWSTQCDWPRCO-RPZYTUBOSA-N 502.043 6.025 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c2cc(C)cc(C)c2)cc1 254846329 RFQBMBJRUNQHBP-UHFFFAOYSA-N 541.673 5.536 50 10 KKGE CC[C@H](C[C@](C)(C[C@H](C)c1ccccc1)C(=O)OCCOC(=O)C(C)(C)[C@H](C[C@@H](C[C@@H](C)c1ccc(CCl)cc1)c1ccccc1)c1ccc(CCl)cc1)c1ccc(CCl)cc1 575409260 QTLYZIRMVXHXBE-QAGNXBPSSA-N 896.480 15.251 50 10 KKGE CC(C)(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)(C)C)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616590474 SAHJWPXTHJECLJ-AXJMTRDLSA-N 755.034 6.751 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2ccc(I)cc2)s1 688086918 PVSXFMPGDNMODK-LBPRGKRZSA-N 502.009 5.746 50 10 KKGE CCCCCCCCC/C=C/CC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C 888085310 IZGQJFCCCONVOU-LUTXOWEPSA-N 595.982 9.893 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(OC)c(OCc3ccc(I)cc3)cc2Br)cc1 1084033452 YZVXRMQFVALLJT-DEOSSOPVSA-N 667.338 6.004 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 1084127976 CLSYTWMVXSDRCL-UHFFFAOYSA-N 553.059 5.541 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 1084176615 NGGMITABZXNUFO-RUZDIDTESA-N 559.448 5.370 50 10 KKGE N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 1084379326 FPNNXMKEZYWHHU-KGENOOAVSA-N 662.753 6.542 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 1084382553 NASADKZARCPNTQ-DEOSSOPVSA-N 588.442 5.241 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1 1084416306 OFUJJUOFUWJROD-WOJGMQOQSA-N 551.222 5.356 50 10 KKGE O=C(CCCSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084459165 DGIFNCYWNYLCDY-UHFFFAOYSA-N 643.405 6.306 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C 1084497780 ZDQKUCFOLDQTTD-IWIPYMOSSA-N 511.419 7.344 50 10 KKGE Nc1cc(C(F)(F)F)ccc1[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1CI 1614640126 FDPQVEXUWYVEFS-YOEHRIQHSA-N 504.290 5.075 50 10 KKGE Cc1cc(C)cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772747906 SPHPBYILDABCEO-UHFFFAOYSA-N 508.390 5.414 50 10 KKGE O=C(COc1ccc(Cl)cc1Cl)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 1772752477 SSCZQCNTBUXMNG-UHFFFAOYSA-N 567.654 5.855 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2cc(C)ccc2C)cc1OCC 1865691711 ZGVWHCJHXITHGJ-LJAQVGFWSA-N 528.697 6.687 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1c(F)cccc1Cl 1865693717 QHPOUWFHODFONZ-VWLOTQADSA-N 561.013 6.025 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(C)cc2)ccc1OCCCc1ccccc1 1865696564 HQBSWIWFGLRTPY-JGCGQSQUSA-N 568.677 7.086 50 10 KKGE Cc1ccccc1COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865702498 BAIXJHQDTWLZDW-AREMUKBSSA-N 517.416 6.593 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703360 URLOHANPMKIANE-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865703543 ASMYPFABALQPJI-SANMLTNESA-N 547.442 6.547 50 10 KKGE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2 1865704888 HCAMUOLJKFLXQE-HHHXNRCGSA-N 504.590 5.548 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc(OC)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865714332 HNIINWFESNHRSK-DEOSSOPVSA-N 544.995 5.201 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866916999 AKFCERGUAPKTGD-SVBPBHIXSA-N 548.709 5.420 50 10 KKGE COc1cccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)C)n2)c1 1868231840 UBXVPJTVJJIWCF-GDLZYMKVSA-N 507.663 7.077 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(c4nc(C)c(C)s4)CC3)n2)c1 1868505255 DYCMEPUYAZBKIK-UHFFFAOYSA-N 528.707 6.926 50 10 KKGE COc1c(Cl)cc(-c2csc(/C(C#N)=C(\O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)n2)cc1Cl 1872755874 KIGTWDCBRIQROK-JTSVPAFMSA-N 514.434 6.528 50 10 KKGE O=C(c1ccc(I)c(Cl)c1)N(Cc1ccccc1)[C@H](CBr)C1CC1 1915311449 FRJOVIBKDBWURX-GOSISDBHSA-N 518.620 5.761 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)sc1Br 1923055790 YVIZGADREWZNJI-YFKPBYRVSA-N 564.771 7.841 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2C3(CC3)C23CC3)c1Br 1924612059 ITCMTMYOTBUIMD-LURJTMIESA-N 505.895 6.662 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1Br 1924614585 PLUFDBJZSANFJX-VUWVERDSSA-N 521.894 5.895 50 10 KKGE CCC(C)(C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025778968 BGUKWSOHJMIGDY-LLVKDONJSA-N 556.756 7.609 50 10 KKGE Brc1ccc([C@H](Br)c2ccc(Br)cc2I)cc1 2026220952 IQEWRBLCTGDTNX-ZDUSSCGKSA-N 530.823 6.301 50 10 KKGE COc1ccc(C(=O)C=Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1 2052963890 XFUBOHBVBKTGQU-UHFFFAOYSA-N 503.558 6.678 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2ccccc2I)c1Br 2083317095 CGQXTHNHPQUFJM-CQSZACIVSA-N 500.399 6.453 50 10 KKGE C[C@H]([C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br)C(F)(F)F 2085499927 LIMLREOJYLZNLU-WVBDSBKLSA-N 582.672 7.371 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1cccc(Br)c1Br 2092331232 RUNWAJWTKLUCJW-LBPRGKRZSA-N 536.258 7.251 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1ccc(Br)cc1Br 2138855887 YJHRSEJLXPKSPN-CYBMUJFWSA-N 519.803 6.737 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2C2CCCCCC2)c1Br 2199986478 FSHNSVNWDRHNAO-JFGNBEQYSA-N 549.992 8.078 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2c(Br)sc(C)c2C)c1Br 2201073230 OGOJZAIJOVPVAI-AWEZNQCLSA-N 545.960 7.754 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1ccc(F)cc1I 2203829434 JUPLBBVDHGDCDM-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE CS(=O)(=O)C1([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2206397542 KKPWDVHFWWZELS-NSHDSACASA-N 618.805 6.140 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2Cc3ccccc32)c1Br 2206398741 YJAVBXKOOQVHNQ-ZANVPECISA-N 588.757 7.513 50 10 KKGE FC(F)(F)COCC[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405168 GYIUQBPDTLIETP-ZETCQYMHSA-N 568.247 6.986 50 10 KKGE Cc1cc([C@@H](Br)c2scc(C(F)(F)F)c2Br)ccc1I 2207106658 YMNURTFPZHPPSG-SNVBAGLBSA-N 539.980 6.927 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2c(F)cccc2Br)c(C)c1Br 2235610547 RLCOOQXNPUCVAV-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ncsc2Br)c1 2252836493 CQDZJVUJUZUSQC-VIFPVBQESA-N 504.867 6.109 50 10 KKGE Fc1cc([C@H](Br)c2cc(Br)sc2Br)c(Cl)cc1Br 2255970418 UVZNNHBDXLIBIS-JTQLQIEISA-N 542.287 7.312 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1Br 2268287007 GFGBMJSMHJXWQV-LLVKDONJSA-N 522.352 6.470 50 10 KKGE COc1ccc([C@H](Br)c2cccc(C)c2I)cc1I 2269551565 ADOUUGRVIMFVRE-AWEZNQCLSA-N 542.980 5.697 50 10 KKGE COc1ccc([C@H](Br)c2cc(Br)ccc2Cl)c(Br)c1Cl 2283563413 NITIPDQRIAUXAF-LBPRGKRZSA-N 503.843 7.011 50 10 KKGE Cc1c([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)c(Br)nn1C 2288361180 AJSUPDLZUYEFRO-SECBINFHSA-N 537.822 5.779 50 10 KKGE COc1ccc(C=CC(=NNC(=O)CC(=O)NN=C(C=Cc2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 2293017443 GSIHQKHTEPMITA-UHFFFAOYSA-N 632.717 5.879 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198284 QGMJQOIVFQUJKF-QFIPXVFZSA-N 591.289 6.960 50 10 KKGE N#CC(C(=O)NCCNC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1)=C1S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2296033236 RMSPYVUZBJYRHN-AQOUDTPCSA-N 793.758 6.779 50 10 KKGE Cc1ccccc1-n1c(SCC(=O)NN=CC(Br)=Cc2ccccc2)nc2ccccc2c1=O 2297075345 BRVNUWQRHVRAEY-UHFFFAOYSA-N 533.451 5.324 50 10 KKGE N#CC(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 2297551361 FCCWVEYVRHNQMR-UHFFFAOYSA-N 517.679 5.725 50 10 KKGE Cn1cnc(Br)c1[C@@H](Br)c1c(Br)sc(Br)c1Br 2300268643 ZHUAHOJXYAWTQE-BYPYZUCNSA-N 572.740 6.016 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccccc1C#N)C(=O)N1CCN(c2ccccc2)CC1 2313567780 OMXWTRNXRDGGDK-UHFFFAOYSA-N 527.422 5.156 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(Br)cc1 2313568146 SFCKNPDREGCADL-UHFFFAOYSA-N 625.361 6.445 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Cl)c1sccc1I 2313747074 VKBNCQLNWAGFCB-SNVBAGLBSA-N 500.385 6.889 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593219 JTASCELMQDZYKB-VWLOTQADSA-N 535.591 6.010 50 10 KKGE Cc1cc(F)c(Br)cc1[C@@H](Br)c1sc(Cl)cc1I 2316601128 PEUXYDKZWUEQHT-LLVKDONJSA-N 524.418 6.700 50 10 KKGE Cc1cc(Br)cc(CBr)c1OCc1sccc1I 2316758334 QOLWKOIBOHKNSS-UHFFFAOYSA-N 502.009 5.898 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1occc1Br 2317420700 RPFCDXAASGGFAV-SNVBAGLBSA-N 505.801 6.499 50 10 KKGE COC(=O)c1ccc2c(O)nc(C(C#N)=Cc3ccc(-n4nc(-c5ccccc5)cc4-c4ccccc4)cc3)nc2c1 2331046511 KFAKOBCNAQXLSA-UHFFFAOYSA-N 549.590 6.706 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1c(Cl)cccc1Cl 2331046559 SVJWNMFOUPVASX-UHFFFAOYSA-N 550.398 6.471 50 10 KKGE Cc1cc(OCCCC(O)=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc(C)c1Cl 2331278842 MUXDSOSECNSVJA-UHFFFAOYSA-N 503.849 7.495 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)ccc1OC(=O)c1ccccc1 2331464216 MHPQVJQEBZSYBZ-UHFFFAOYSA-N 524.642 7.543 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cc(Br)c(C)s1 2339659399 RNHJHUUMDQMTEN-LLVKDONJSA-N 535.896 7.276 50 10 KKGE C[C@@H]1CCC[C@@](CI)(OCc2c(Br)cccc2Br)C1 2340604837 YUAQTRTYFOFJEB-IAQYHMDHSA-N 502.028 6.112 50 10 KKGE COc1cc(CCl)c(Oc2c(I)cc(Cl)cc2I)cn1 2362193808 SYRWTEMLIUQKGM-UHFFFAOYSA-N 535.934 5.484 50 10 KKGE CCCc1sc(Br)cc1[C@H](Br)Cc1ccc(Br)cc1Cl 2363255534 DLVMJJOXVGOWLB-GFCCVEGCSA-N 501.509 7.558 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2364069433 IOYOBECLNUXLNV-ZCFIWIBFSA-N 558.240 6.124 50 10 KKGE COc1c(F)cc([C@@H](Br)c2cc(I)ccc2Br)cc1F 2370457739 SEVUGTRAQWZXPF-CYBMUJFWSA-N 517.933 5.825 50 10 KKGE N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1cccc(OC(=O)c2cccs2)c1 3013971 FVOPNTYEHPZRNU-LJQANCHMSA-N 519.380 5.338 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(CC)cc4)ccc32)cc1OC 38660187 AJTMQTGGEKFNJA-PMERELPUSA-N 528.605 5.639 50 10 KKGE CCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC)c(OCC)c2)c1 38679341 CRBBHPSYFDOAFD-HHHXNRCGSA-N 500.551 5.320 50 10 KKGE CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccc4c(c3)CCCC4)c2C(=O)OC)cc1 41013299 RWGMNVILDYLBCT-LFVJCYFKSA-N 514.647 6.805 50 10 KKGE CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c3ccc(OC(F)F)cc3)c2C)cc1 97654701 PHMOAVOUCUYOIX-MLPWYGTASA-N 508.521 5.816 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cccc(OCCc2ccccc2)c1 100242928 BUEJILXDLZJYEU-UHFFFAOYSA-N 598.291 5.826 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 100452287 PXGFPSJNBKVVND-MGCJZSHXSA-N 536.253 6.299 50 10 KKGE Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C 100870006 LWCLTBZHWITENV-JJTCPOHDSA-N 600.764 5.275 50 10 KKGE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)cc2)cc1 101136890 NEOKTSOWGLUUDQ-GLAYHYRKSA-N 532.577 6.608 50 10 KKGE CCCCCCCOc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 101340615 JCWQXSYVFVIEDM-KOEQRZSOSA-N 504.602 6.366 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1ccc(F)cc1 101364304 BYXWEVSEQOIAST-QGZVFWFLSA-N 588.633 7.295 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 101382692 JQJBVMZHJHNKHZ-SSEXGKCCSA-N 583.984 6.030 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(F)cc1 101389461 ZMLPOGCAOHGSDR-XIFFEERXSA-N 596.611 6.015 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)oc2ccc(Br)cc12 101391259 QXHQYZSNMJGFLW-QHCPKHFHSA-N 535.781 6.595 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1Cl 101393484 HEOSQSKSIUJTHB-AREMUKBSSA-N 599.467 6.635 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101394256 CZUAZMQVMCFTEU-MUUNZHRXSA-N 559.018 6.938 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2 101613453 GAJHMWZSFCHUJG-JWHWKPFMSA-N 531.534 6.997 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCC(=O)N(CC)CC 101727187 PCNVCSKDYKTYRT-CCVNUDIWSA-N 605.580 5.461 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 102848974 YPDPQBMIZBDHHH-QINSGFPZSA-N 507.333 5.348 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 103796905 WKKAAPJKRVGLHB-FDALDRLYSA-N 598.530 8.501 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)ccc2Br)cc1Br 109844417 CWPUVIZYPCCIOU-CQSZACIVSA-N 513.849 6.467 50 10 KKGE CC[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118921000 FYWPUSMWQOIDNY-RSWCCTJGSA-N 535.651 9.113 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485354 AKPDSCOMOHFXIT-HKBQPEDESA-N 637.903 7.437 50 10 KKGE Cc1ccc2c(c1)N[C@H](SCC(=O)Nc1ccc(SSc3ccc(NC(=O)CS[C@@H]4Nc5ccc(C)cc5N4)cc3)cc1)N2 164821830 WSUPLBCJJXRWJV-ROJLCIKYSA-N 660.916 8.089 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)c(C)c1 205780840 DDMNOPOSYFHSRZ-AWLRXGSOSA-N 660.752 5.338 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 207116418 HONMPIHPEBBYHU-NROIYBAHSA-N 540.616 5.725 50 10 KKGE O=C(c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCOCC1 225050161 SWBJMVQWGWSWFZ-QCCXDOPZSA-N 595.077 6.014 50 10 KKGE Cc1c(C=NNC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 252593793 BMAJEVFWGDPFGZ-SPGXISLCSA-N 518.642 5.981 50 10 KKGE CCCOc1ccc(C=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1OCC 252624163 PHWJSGKSPJZOIZ-UHFFFAOYSA-N 544.073 5.258 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(I)cc3c2OCC3)cc1Br 312361418 OHOFWLUBOJIYQB-OAHLLOKOSA-N 507.991 5.781 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2cc(Br)cs2)C1 382734796 WIFIYEOHXPWYBP-HIFRSBDPSA-N 506.203 5.298 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CI)[C@@H](c2cc(Br)cs2)C1 382734798 WIFIYEOHXPWYBP-ZFWWWQNUSA-N 506.203 5.298 50 10 KKGE ClCc1ccccc1Oc1c(I)cc(Cl)cc1I 384964540 JHWJJULHDBHVRN-UHFFFAOYSA-N 504.920 6.080 50 10 KKGE Clc1ccc(I)c(C[C@@H](CBr)c2ccccc2Br)c1 405545690 WCSMELOINYYTAB-NSHDSACASA-N 514.426 6.428 50 10 KKGE CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](CN=C=O)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 504718938 FWULWQNHPKVVEM-TUDCREIJSA-N 679.605 5.621 50 10 KKGE Cc1cc(C)c([C@@H](Br)c2scc(Br)c2Br)c(C)c1Br 705448560 RZGGTXLQGQOULP-CYBMUJFWSA-N 531.933 7.445 50 10 KKGE COc1cc(C=NNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 1083907589 STCSIYNDLQXRPZ-UHFFFAOYSA-N 520.800 5.632 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 1083962937 DSBSBTBHGVYTDE-UHFFFAOYSA-N 552.483 6.461 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 1083963610 FUGLQETYZMYTSP-LJAQVGFWSA-N 561.078 6.834 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 1084020848 QUTQTZACJLSVNG-UHFFFAOYSA-N 598.124 6.726 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)c(OCc2ccccc2)c(I)c1 1084054784 YEUJSSPDUSRCAE-JOCHJYFZSA-N 593.259 5.597 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 1084291371 RWYDYBIHHJVHIM-UHFFFAOYSA-N 564.483 7.558 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccc2ccccc2c1 1084326936 QMAFKBLXQXCTOH-OVVQPSECSA-N 538.047 6.337 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)c3cc4cc(Br)ccc4o3)cc2I)c1 1084352318 DUWIDZMJCGWQTN-UHFFFAOYSA-N 589.227 6.451 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=Cc1cc(Br)cc(Br)c1O 1084399804 BUWBXSVRCOKFFG-MRVPVSSYSA-N 510.997 5.142 50 10 KKGE COc1ccc(C=NNC(=O)C(c2ccccc2)c2ccccc2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1084502806 YXHDSFFSPSBZFP-UHFFFAOYSA-N 622.763 8.823 50 10 KKGE CSc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccc(C)cc2)cc1 1084600488 UBYLVOMDSFZUPD-UHFFFAOYSA-N 588.538 6.629 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084609979 WKLCVEYUBWPBRD-VIZOYTHASA-N 554.630 7.673 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 1554498694 KNHVDWMAQLIJCO-ZJHXZRCCSA-N 645.785 6.061 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1615773209 OOEFJWPTKXCMDU-ZLQBXQHBSA-N 639.126 11.358 50 10 KKGE COc1ccc(C)cc1NC(=O)c1oc2c(c1C)C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748141 IWXVSYLZAOWELR-UHFFFAOYSA-N 521.617 6.146 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772750253 YCXAPULUZCDMEN-UHFFFAOYSA-N 617.283 6.660 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O3)cc1 1865684035 LNRKLWVXPBXYDB-QFIPXVFZSA-N 578.264 6.291 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 1865686054 QFMCBQMXMVHCGO-NRFANRHFSA-N 507.352 6.212 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865688219 NIQYHPDDKGZEQP-MHZLTWQESA-N 507.594 5.334 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2cc(Cl)ccc2O)C(C#N)=C(N)O3)cc1 1865688928 FUDJHWLCVQCMDW-JOCHJYFZSA-N 505.361 5.778 50 10 KKGE CCCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865691421 RIPNXVHMNUDHQJ-VWLOTQADSA-N 569.475 6.327 50 10 KKGE CCCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Br)cc1 1865693718 QHQQQHJDMADGBN-DEOSSOPVSA-N 557.448 6.317 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(Cl)cc2)cc1OC 1865696442 MXSRGRQMYWCRHN-AREMUKBSSA-N 521.061 6.333 50 10 KKGE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865700698 BLMZTALXNHENEJ-DEOSSOPVSA-N 504.377 5.680 50 10 KKGE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701142 NARWDYXBRYMCEB-DEOSSOPVSA-N 511.453 6.596 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OCc1ccccc1C 1865702829 GEYHTHIHZAYMIE-WJOKGBTCSA-N 554.650 7.044 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702901 HVXNFUVALVPVMA-NDEPHWFRSA-N 525.052 6.643 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1 1865706594 ADVPRPZAYXYDID-RUZDIDTESA-N 545.565 6.144 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(N(CC)Cc3ccccc3)cc1)C(C#N)=C(N)O2 1865706975 KHCCGXUEFSOOIX-LJAQVGFWSA-N 556.085 6.921 50 10 KKGE CCCN(CCC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1OC 1865708943 JWEGJPLUQRNCNJ-MHZLTWQESA-N 550.059 5.088 50 10 KKGE CC(C)C[C@H](C(=O)Nc1ccc(SC#N)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865903751 GOPNLXJHAIPJMM-GFCCVEGCSA-N 531.248 6.523 50 10 KKGE CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)Nc3ccc(SC#N)cc3)c3ccccc3)cc2C1=O 1866619635 JZWOAYXLAMXONI-VWLOTQADSA-N 526.618 5.012 50 10 KKGE CCc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccc(Cl)cc4)n3)CCO2)cc1 1868433878 TURIWZMPWKNSPB-AREMUKBSSA-N 528.081 7.254 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](/C(O)=C(\C#N)c3nc(-c4ccc(OCC)cc4)cs3)CC2=O)cc1 1872747663 NYPNTXACMALLAL-IPQBESIJSA-N 503.580 5.231 50 10 KKGE Cc1cc(C)c(C)c(-c2csc(/C(C#N)=C(\O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1C 1872754516 WOHHDLAJSKEQRQ-PNHLSOANSA-N 505.599 6.794 50 10 KKGE N#C/C(=C(/O)CCCOc1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1873941080 VLHSATSHYRRKDH-LVWGJNHUSA-N 507.442 8.436 50 10 KKGE Cc1cccc([C@H](Br)c2sc(Br)c(C)c2Br)c1I 1922887183 MSKMPEZBVHMPMQ-JTQLQIEISA-N 564.906 6.979 50 10 KKGE FC(F)Oc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923073062 UMJBXUOWVNUYOK-QMMMGPOBSA-N 511.407 7.012 50 10 KKGE Clc1cc(Cl)cc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1 1924595424 YWCZVSVWTOEXER-VIFPVBQESA-N 514.291 7.671 50 10 KKGE CC(C)C[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924604627 FQLXNILJUNRJEM-ZXFLCMHBSA-N 509.927 7.154 50 10 KKGE CCn1ncc(Br)c1[C@H](Br)c1cc(Br)sc1Br 1945454527 QATVWKQESQAOPH-MRVPVSSYSA-N 507.871 5.736 50 10 KKGE Clc1cccc(Br)c1[C@H](Cl)c1c(Br)sc(Br)c1Br 2050320499 UEUWQFCQWCXNCZ-VIFPVBQESA-N 558.742 7.780 50 10 KKGE Cc1cc(C=C(C#N)c2nc(-c3ccc(Sc4ccccc4)cc3)cs2)c(C)n1-c1ccc(Br)cc1 2059836297 OZDCDMSLFRUYQD-UHFFFAOYSA-N 568.565 9.196 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)CC2CCCC2)c1Br 2085493318 AMZLRAMFAJDWKQ-MRVPVSSYSA-N 568.767 7.753 50 10 KKGE FC(F)(F)c1sccc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2101412925 FONBFUSSVGNKOI-YFKPBYRVSA-N 519.427 7.491 50 10 KKGE Fc1ccc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2141470069 YLYQLTWKPUTDIM-NSHDSACASA-N 580.709 7.360 50 10 KKGE CCCOC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC1 2141470806 KZOFECCHLBAGAC-LBPRGKRZSA-N 540.315 6.976 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CCCOCC2)c1Br 2141473490 PMZPAZJNOMNMHM-RDDDGLTNSA-N 584.766 6.989 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)C1CC2(C1)CC21CC1 2206394753 JIJIFJMVMNYSCK-CFWSUUBLSA-N 548.338 7.597 50 10 KKGE CC1(C)[C@@H]2CC([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)C[C@H]21 2206396165 SWMDDKDLRZUXLG-WGZSSWNPSA-N 550.354 7.699 50 10 KKGE FC1(F)CCCC[C@@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396750 AQEVFPPMZYXWET-LHLIQPBNSA-N 604.747 7.998 50 10 KKGE Fc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c(Br)c1 2206399669 KHLWDVNIHYNVLX-LLVKDONJSA-N 659.605 8.123 50 10 KKGE Cc1ccc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Br 2206408491 JTQJDZDSGOBGRO-CQSZACIVSA-N 611.191 8.136 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(Br)c(Br)cc1F 2218604140 RXKCCEOKXQMPOX-JTQLQIEISA-N 522.857 6.362 50 10 KKGE Clc1cc(Br)ccc1C[C@H](Br)c1ccc(Br)cc1Br 2229147738 NHYQDWJSYIEQGM-LBPRGKRZSA-N 532.295 7.306 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2ccc(Cl)c(Br)c2)c(C)c1Br 2235608610 KYSFCXVFHLKCOM-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE COc1cc(Br)c([C@@H](Cl)c2ccc(I)c(Br)c2)cc1C 2236020555 DSTRJRGUABLAGE-HNNXBMFYSA-N 530.425 6.461 50 10 KKGE Clc1ccc(I)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2238081681 HWIMAEZIQGGOQO-OAHLLOKOSA-N 528.409 6.126 50 10 KKGE COc1ccc([C@H](Br)c2cccc(Cl)c2Br)c(Br)c1Cl 2283547387 PTKVMJPHTRPONF-LLVKDONJSA-N 503.843 7.011 50 10 KKGE O=C(NN=Cc1cc(N=Nc2cccc3ccccc23)ccc1O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2295483008 QKYZDQOIBOIHAA-UHFFFAOYSA-N 583.604 6.611 50 10 KKGE CCOC(=O)c1cc(C(C)C)sc1NC(=O)C(C#N)=Cc1ccc(COc2ccc(Br)cc2)o1 2295672686 RCPCXZGTBGURGA-UHFFFAOYSA-N 543.439 6.528 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)cc1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296506882 JPLMSLWARUIZFR-QFIPXVFZSA-N 538.854 6.167 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1ccco1 2296705995 IMKBHONMHSOVKC-UHFFFAOYSA-N 518.548 6.074 50 10 KKGE N#CC(C(=O)Nc1cc(Cl)ccc1Cl)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834387 DSGZYDLXYYXXID-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE CC(C=CC=Cc1ccccc1)=NNC(=O)COc1c(Br)cc(C(C)(C)CC(C)(C)C)cc1Br 2297100575 KGGYEUBDNDOPLJ-UHFFFAOYSA-N 590.400 8.066 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2scc(Br)c2Br)c1 2299500574 GZZNTMKIJVEIFL-MRXNPFEDSA-N 595.976 8.099 50 10 KKGE ClC[C@H](OCc1c(Br)cccc1Br)[C@@H](I)CCl 2302080059 NPJPSKZMXNHOJH-QWRGUYRKSA-N 516.826 5.378 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 2313675706 LTAMANMRSCRGGA-UHFFFAOYSA-N 511.803 6.626 50 10 KKGE Brc1ccc(C[C@@H](Br)c2ccc(OCc3ccccc3)cc2Br)cc1 2314448375 HEJQCFRNIZCJPM-HXUWFJFHSA-N 525.078 7.469 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1Cl 2314610974 OSWWSNOBGZFHEP-UHFFFAOYSA-N 515.013 5.840 50 10 KKGE COc1ccc(CN2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(C)=C(C#N)C2=O)cc1 2314616592 FGOIZHWOSCFVHV-UHFFFAOYSA-N 528.992 5.729 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1cccc(Br)c1 2314634067 IVPAKBPTOWASOH-DEOSSOPVSA-N 542.216 6.593 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2c(C)cc(C)cc2C)cs1)N1C(=O)c2ccccc2C1=O 2331394529 QZPZNCVJLJDXOT-JOCHJYFZSA-N 503.649 5.946 50 10 KKGE COc1cc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)ccc1Br 2336082534 AVDRJYWBAJDMGB-NRFANRHFSA-N 541.077 7.284 50 10 KKGE C[C@@]1(C(F)(F)F)C[C@@]1(CBr)Cc1ccc(I)c(Br)c1 2349842015 VXFWZUOVLQCQRY-VXGBXAGGSA-N 511.945 5.950 50 10 KKGE Clc1ccc(I)cc1CO[C@H]1CCCCCC[C@@H]1I 2352252984 CTGMBWQEEAECJT-GJZGRUSLSA-N 504.577 5.988 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)Cc1cccc(Br)c1 2365186164 NTXRPNGEUDESDE-NSHDSACASA-N 529.867 7.100 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(Cl)cc2I)c(Br)c1 2365596818 BOQVWSRHDZNODO-HNNXBMFYSA-N 530.425 6.590 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1 35446015 FIWYWKYJNBFNPI-BWAHOGKJSA-N 510.622 7.792 50 10 KKGE CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Cl)cc4c3C)ccc21 40530375 AATYALNNZMXCRS-VWLOTQADSA-N 500.938 6.231 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 40824066 MYHHGWCAYQSUTA-UXHLAJHPSA-N 504.896 5.488 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1Cl 59398732 QZEILALJAJWDRR-ODLFYWEKSA-N 511.803 6.544 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccc(Cl)cc1Cl 100232636 TVBLTYAVHYXNAO-KEBDBYFISA-N 574.302 7.896 50 10 KKGE COc1cc(/C=N/NC(=O)N/N=C/c2cc(OC)c(OCCC(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCCC(C)C 100329086 VJZQQQXBJAPHSG-QSXCDPBRSA-N 588.618 5.037 50 10 KKGE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4c(=O)[nH]3)c2)CC1 100920306 ZKCMGJKFPKHSGO-HKOYGPOVSA-N 576.682 5.261 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc(-c2ccc(I)cc2)cs1 101034209 YZGRZXPGSPKEFJ-RCCKNPSSSA-N 556.432 7.332 50 10 KKGE C=CCNC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(OC)cc1 101241732 LFCWSMNLCZTJHM-IRJMIRDBSA-N 521.948 5.096 50 10 KKGE CCc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243011 XMKVRZNUAJYGAX-UPCZGDIASA-N 509.675 6.170 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)c(C)c1 101246852 JZUGLGALBZKXQZ-NNHPPCHPSA-N 518.038 6.030 50 10 KKGE CCCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)C1=O 101333376 UVTIUZUYRSWCNN-MOEMHDQYSA-N 611.768 5.742 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 101374059 CXRHOVURVVUJBV-HKBQPEDESA-N 542.632 6.084 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCC)ccc32)ccc1OCCC(C)C 101375173 SXZRRNHLXKUZDH-SSEXGKCCSA-N 542.632 6.346 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4Cl)ccc32)cc1OC 101375323 MNLLXXUKFMISJD-HKBQPEDESA-N 611.522 7.554 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)(C)C)cc4)ccc32)cc1 101377999 ARLDSDVPJGOADI-MGBGTMOVSA-N 568.714 7.536 50 10 KKGE CCCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3)c2)cc1 101383317 XEJLPBWJARHLAZ-XIFFEERXSA-N 595.095 7.925 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 101383988 KMIMMAWVRUPJTJ-NDEPHWFRSA-N 571.948 6.404 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1Cl 101385880 XJGZCAXNBLNWML-YTTGMZPUSA-N 617.485 7.092 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1Cl 101385885 YHDVMOCJBQSYSS-GDLZYMKVSA-N 556.977 6.504 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(F)cc1 101387349 ANAZNQPYUFBQIV-RIPCNWKXSA-N 608.666 7.128 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCC)c2)cc1Cl 101396682 WTCZNJHQXVCEOC-VWLOTQADSA-N 539.415 6.618 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)oc2ccc(F)cc12 101397683 FSFARJLRVPXYTH-PMERELPUSA-N 580.999 7.550 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1Cl 101399721 RWZAPAKMDDWHTN-YTTGMZPUSA-N 621.045 6.861 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c(C)c1 101405852 QAZCLLCKCUQPKA-SIBAOGJBSA-N 618.715 5.163 50 10 KKGE N#C/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc(I)c1 102137299 SJCFLVKSCGCUKZ-WQRHYEAKSA-N 519.342 5.897 50 10 KKGE C/C(=N\NC(=O)c1ccc(Cn2cc(Br)cn2)o1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 102300085 CIXGXIZWZBMSRX-KFELAIKBSA-N 598.885 5.809 50 10 KKGE N#C/C(C(=O)Nc1cccc2ccccc12)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 102666252 RNMNZEQSKHODIH-GDJOMKKCSA-N 544.463 7.212 50 10 KKGE C=CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OCC)c1C 102924635 LJLMUWPRQRFUEJ-LFIBNONCSA-N 523.592 5.405 50 10 KKGE N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1I 102934473 AZDTWUSCKCKERM-BOPFTXTBSA-N 549.195 6.723 50 10 KKGE CC[C@H](CBr)COc1c(I)cc(I)cc1I 155495919 XWZKQETWDJYLBE-SSDOTTSWSA-N 620.832 5.300 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 209405922 KNUSWDJAYOXVNH-UQRWVXEISA-N 530.646 6.183 50 10 KKGE COCCc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1 234701686 UVJASSOWWWHHNI-INIZCTEOSA-N 510.007 5.727 50 10 KKGE O=C(NN=Cc1ccc(Cl)cc1Cl)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 252622708 OAZNEOMZEZIWGF-UHFFFAOYSA-N 611.525 8.494 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1 252635758 XASWKCZDOYGMIV-GVTQSLPJSA-N 614.338 5.685 50 10 KKGE C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253577854 XOSZCWSRPJNAEI-BKATUZMVSA-N 791.808 7.889 50 10 KKGE COc1ccc(C(=O)Oc2ccc(C=NNC(=O)c3ccc(COc4cccc5cccnc45)cc3)cc2OC)cc1 254393263 BJNLZGVNSYTLDR-UHFFFAOYSA-N 561.594 5.814 50 10 KKGE Cc1ccc(C)c(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1 254555473 SJJHTRBWVYQKAK-UHFFFAOYSA-N 515.791 5.468 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1OCc1ccccc1 254627913 CNKQYBIRLOWRFD-UHFFFAOYSA-N 549.656 5.764 50 10 KKGE CCOc1ccc2ccccc2c1C=NNC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 256017799 KYZBFLXNTJRPRM-UHFFFAOYSA-N 520.627 7.035 50 10 KKGE CC1(C)[C@]2(C(=O)Oc3ccccc3OC(=O)[C@]34CC[C@](C)(C(=O)[C@H]3Br)C4(C)C)CC[C@@]1(C)C(=O)[C@H]2Br 256020049 UEFGGDVYWXYYRV-XGFFMVSESA-N 624.366 5.815 50 10 KKGE Br[C@H]1C=C[C@@H](Br)[C@H](Br)C=C[C@@H](Br)[C@@H](Br)C=C[C@H]1Br 267326249 HVIIZEINTLSKNX-UFVWWTPHSA-N 635.652 6.250 50 10 KKGE CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)[C@H](O)[C@@H]3OC[C@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 306146057 ACJHNDYFTFXEOF-ZDZIMLPKSA-N 984.181 5.736 50 10 KKGE COc1ccc([C@H](Br)c2ccc(I)c(Br)c2)c(Br)c1 721612931 JTIHLCXSHAJLDP-CQSZACIVSA-N 560.849 6.309 50 10 KKGE Cc1cccc([C@@H](Br)c2sc(C)c(Br)c2C)c1I 724909195 MKVMMYRXLWGIBJ-GFCCVEGCSA-N 500.037 6.525 50 10 KKGE CC(C)(C)Oc1ccccc1NC(=O)[C@@H](c1cccs1)N(C(=O)CCl)c1cccc(C(F)(F)F)c1 725240139 OOVRKDHFUBNZRU-JOCHJYFZSA-N 524.992 6.896 50 10 KKGE CCOC(=O)O[C@]1(C(=O)CCl)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 725240334 ZQAGWXUKPIARBB-WKXSYDTISA-N 503.850 5.593 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc(I)cc3)c(Br)c2)cc1 725439385 LDIMKOPLQWRLGH-DEOSSOPVSA-N 637.312 5.995 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)ccc1OCc1cccc(Cl)c1 1083849902 QYNZREHSYDMUTJ-UHFFFAOYSA-N 592.117 6.048 50 10 KKGE CCCCOc1ccc(C=NNC(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1083894863 VDCXXCXZDIBTRE-UHFFFAOYSA-N 590.145 6.987 50 10 KKGE Cc1cc(N2CCCC2)ccc1C=NNC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1083988338 OBRDGTVFUMICIS-UHFFFAOYSA-N 525.716 7.105 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C(C)c3ccc(NC(C)=O)cc3)cc2)c2ccc(C)cc2)cc1Br 1084118304 DWAWCGVCWPLXAB-UHFFFAOYSA-N 663.594 6.274 50 10 KKGE CC(=NNC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 1084247824 RZXPANNFJVPPSY-AHPZMPFVSA-N 502.083 6.940 50 10 KKGE COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl 1084271509 ARNIXNBWKIGNIJ-UHFFFAOYSA-N 517.763 5.183 50 10 KKGE O=C(CSc1nnc(CCc2ccccc2)n1-c1ccccc1)NN=Cc1ccccc1OCc1ccccc1 1084317905 QPSHADBIHXTJEH-UHFFFAOYSA-N 547.684 5.874 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)c2cc(Cl)ccc2OC)cc1OC 1084380296 OXVNEIRBWMBHGB-UHFFFAOYSA-N 625.147 5.427 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 1084606694 VMCKSBFSWALKCI-UHFFFAOYSA-N 572.584 5.598 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(C)n(-c3cccc(I)c3)c2C)cc1 1084641182 MVKJHRZXKIIYQI-UHFFFAOYSA-N 598.488 7.229 50 10 KKGE Cc1c(C(=O)Oc2ccc(Br)c3cccnc23)oc2c1C(=NNC(=O)c1ccc(F)cc1)CCC2 1772744281 BRJIEIJFGTWCKO-UHFFFAOYSA-N 536.357 5.727 50 10 KKGE Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772744305 CAZMZDVGEBBRRF-UHFFFAOYSA-N 500.433 5.238 50 10 KKGE COc1cc(C=NNC(=O)COc2ccccc2C(C)(C)C)cc(Br)c1OCc1ccccc1 1772753964 JXUJJIDMWDNEJN-UHFFFAOYSA-N 525.443 5.863 50 10 KKGE COc1ccc(-c2nn(-c3ccccn3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865687953 DXFQPQBCEZDIHZ-SANMLTNESA-N 501.546 5.323 50 10 KKGE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865688103 JMTTZFUGHPNPQB-LJAQVGFWSA-N 573.068 6.525 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2)cc(Br)c1O 1865688958 GFGLOSKLKUPCTK-JOCHJYFZSA-N 529.394 5.293 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Br)cc2)cc1OCC 1865691689 YZBKIBFLKXMZAU-SANMLTNESA-N 565.512 6.773 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865692307 LCFJVABNDQWMLF-FQEVSTJZSA-N 503.441 5.270 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2cccc(Cl)c2)cc1OC 1865695367 CALRKPLKRDPHAT-RUZDIDTESA-N 507.034 5.943 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)c(Cl)c2)cc1 1865695480 ORCNAFAOLHEMFD-RUZDIDTESA-N 547.442 6.531 50 10 KKGE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1865695919 VNQORCCZAMPPKN-XMMPIXPASA-N 550.968 6.709 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCCCc3ccccc3)c(OC)c2)cc1 1865696022 BHUOOKKCQWDYCD-GDLZYMKVSA-N 522.605 5.428 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)ccc1OCc1c(Cl)cccc1Cl 1865702971 JTWVIQXPKULKRF-VWLOTQADSA-N 547.442 6.590 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 1865705109 MJKVUYZXXMWUKB-XMMPIXPASA-N 560.532 5.705 50 10 KKGE CCOC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)/C(C#N)=C/c1ccc(OCCOC)cc1 1866215243 JRPZJBLICLSZMW-LFVJCYFKSA-N 530.646 6.041 50 10 KKGE COc1ccc([C@@H]2c3ccccc3CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C)cc3)n2)cc1 1868320595 LMQFNRNIWDLBNS-MGBGTMOVSA-N 555.707 7.930 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3Cc3ccc(Br)cc3)n2)c1 1868505020 CDJXLZXCKFXBMC-XMMPIXPASA-N 572.532 7.443 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(C)[C@@H](c4ccccc4)C3)n2)c1 1868505273 FMMOVMMGNDOYDH-AREMUKBSSA-N 508.651 5.962 50 10 KKGE CCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@H](C)Oc3ccc(Cl)cc3Br)n2)cc1 1872747496 GFYBTKHSIGFKTI-ZCBJIMFGSA-N 505.821 6.885 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@H]2C[C@@H]2Br)c1Br 1893054235 KEABWIZAIDETIH-TXQLHFEISA-N 532.715 6.255 50 10 KKGE Brc1csc([C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 1899853518 UWNIFUMUWYKWLG-GOSISDBHSA-N 517.080 7.336 50 10 KKGE Brc1sc(Br)c([C@@H](Br)[C@H]2C[C@@H]3CC[C@H]2O3)c1Br 1924614394 NTXYCZLLPXXVND-FEEAIGFJSA-N 509.883 6.039 50 10 KKGE CCOc1c(Br)cc(Br)cc1C[C@H](CBr)NC(=O)OC(C)(C)C 1984039345 ICIQBULLYHCTMG-GFCCVEGCSA-N 516.068 5.441 50 10 KKGE CCc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)s1 2029238304 GXCIFAPGEGMMQU-GFCCVEGCSA-N 520.455 6.768 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2nn(C)c(Cl)c2Br)c1Br 2138870344 IOPAWOXPEWJDKI-VIFPVBQESA-N 536.287 6.154 50 10 KKGE Cl[C@@H](c1csc(Br)c1Br)c1c(Br)c(Br)cc(Br)c1Br 2141467666 AKKBNOGFQKKKMK-JTQLQIEISA-N 682.089 8.651 50 10 KKGE C[C@@H](C1CCCC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141468026 FYMBPRYBHGDSJZ-WJWGPLDTSA-N 538.343 7.843 50 10 KKGE O=C(N[C@@H]1CCCC[C@@H]1CCBr)c1cc(Br)ccc1I 2146720001 QMCPOWOZIDJPHO-QMTHXVAHSA-N 515.027 5.127 50 10 KKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206396350 VXZLFZMBWBDURN-KOSWAMCASA-N 552.370 8.089 50 10 KKGE O=C(N[C@H](CBr)C1CCCCC1)c1ccc(Br)cc1I 2207271732 KVUSJODDRSIWGB-CQSZACIVSA-N 515.027 5.127 50 10 KKGE CCc1cc([C@H](Br)c2cc(Br)sc2Br)sc1Br 2248016221 RRMSONXFOQCVSB-SECBINFHSA-N 523.935 7.144 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1sccc1I 2269606137 XKIDBLZQLCLOMI-ZDUSSCGKSA-N 516.036 6.225 50 10 KKGE Fc1cccc(I)c1[C@H](Br)c1cc(Br)cc2c1OCC2 2282894329 OJGGLHWCISDXNX-CQSZACIVSA-N 511.954 5.612 50 10 KKGE COc1cc(C=C(C#N)c2ccc(F)cc2)cc(I)c1OCC(=O)Nc1ccccc1 2297372849 FGDVATDGEJNMQT-UHFFFAOYSA-N 528.321 5.521 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(Br)cc2)cc1 2297458704 XBVJJXRSUSFIEQ-QHCPKHFHSA-N 552.881 6.476 50 10 KKGE COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521276 CAJOXEPMVIRKDM-UHFFFAOYSA-N 546.748 6.505 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc(F)c1 2313571433 WIZIQGDZSKCMHR-UHFFFAOYSA-N 505.760 6.919 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 2314477015 ZUNFCPWWZHEKSI-UHFFFAOYSA-N 527.024 6.926 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)Nc2ccc(C)cc2)cc1 2314591898 HECFKVKLGCOXAY-VWLOTQADSA-N 586.035 7.131 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1C 2314593322 LFJGDDYJKAFBJQ-VWLOTQADSA-N 536.484 6.353 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314593927 WAYXTLUPEJHMNR-FQRUVTKNSA-N 516.066 6.261 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)O2 2314617341 WKRBVSLWMBUPCH-LJQANCHMSA-N 504.590 5.398 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)cc1F 2314617439 YKUHWZYUKMLETP-UHFFFAOYSA-N 560.629 6.568 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(OC)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 2314644620 XDJAGNIBJMJYQH-UMSFTDKQSA-N 643.523 7.817 50 10 KKGE CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C(C#N)=Cc1cccc(Br)c1 2329699311 AAYQVNODLYZJFM-UHFFFAOYSA-N 511.397 5.909 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ncccc1[N+](=O)[O-] 2331059585 SDBRUWWVZMJNNU-UHFFFAOYSA-N 505.155 6.702 50 10 KKGE CCc1cccc(CC)c1N1C[C@H](C(O)=C(C#N)c2nc(-c3ccc(OC)c(Cl)c3)cs2)CC1=O 2331398475 YWVIWPMDVGDOMC-LJQANCHMSA-N 508.043 6.443 50 10 KKGE CSCC[C@H](C(O)=C(C#N)c1nc(-c2ccc(Cl)s2)cs1)N1C(=O)c2ccccc2C1=O 2331402313 NINQNQSHOKUWKI-MRXNPFEDSA-N 502.042 5.736 50 10 KKGE Fc1ccccc1[C@@H](CI)OCc1cc(Br)cc(Br)c1 2362247610 KRPFWORQEMHWFG-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE CCCCCOc1ccc(C(=O)NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 14029749 KIAUXQMOQKGKER-UHFFFAOYSA-N 512.459 5.057 50 10 KKGE O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 14766845 RNFWTCGBBUVIGT-UHFFFAOYSA-N 503.396 5.228 50 10 KKGE CO[C@@H]1O[C@H](CBr)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 22063799 GBRWKBAOTRGDCL-QBROEMLDSA-N 527.455 5.509 50 10 KKGE in-vitro CCCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 38655613 UENKSFMJVMSWJU-RUZDIDTESA-N 509.389 6.610 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1ccc(Cl)cc1 39867467 WEURBMUPCWIDLM-UHFFFAOYSA-N 517.416 6.474 50 10 KKGE CCCCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCCCC 49637599 FZSXSMIAYRUPFV-UHFFFAOYSA-N 672.954 8.533 50 10 KKGE Cc1cc(C)c(/C(CSc2nc3ccccc3[nH]2)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1C 59460506 OFQLJHVXXRPEHQ-NFFVHWSESA-N 518.555 5.231 50 10 KKGE C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1 97442406 MHNBABDBYLZMOL-YGYTWAPGSA-N 500.407 6.084 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(I)cc1 100232240 WVZPLXKDXBTEJD-SLLOZXFSSA-N 592.861 5.886 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(OC)c(OCc3ccc(Br)cc3)cc2Br)cc1 100233616 KHENUTVHYRRMFD-LCVHJTKWSA-N 620.338 6.162 50 10 KKGE N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100395048 DPEVRPDHNUHYFT-XFXZXTDPSA-N 519.207 6.962 50 10 KKGE CCCCCCCCCCCCCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 100443026 DXNPGZZCBFZTHO-UHFFFAOYSA-N 548.360 6.747 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)cc(Cl)c5c4Cl)ccc32)cc1 101394913 FXJYYVZJOOJOLA-NRFANRHFSA-N 573.910 8.021 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)cc1OCC 101395709 GVPXYJUPCUBVGA-HKBQPEDESA-N 601.099 8.108 50 10 KKGE CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)CC1 101398945 VVQSHQNIPDPMPR-KWKOMPBNSA-N 605.562 8.693 50 10 KKGE COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccccc1Br)CCC2 101599206 WVKKPQKOSZEUIW-OGLMXYFKSA-N 530.806 5.735 50 10 KKGE COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 101906944 ITDLIMFMKIFKHD-IUXPMGMMSA-N 523.641 8.061 50 10 KKGE Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 103122117 NMSDHPLJHHOTBS-RXWSAZGZSA-N 535.994 6.396 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccccc1 103880708 LHFKBXJJVIKGOF-HPNXWYHWSA-N 608.536 7.957 50 10 KKGE COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1c(C)cc(I)cc1C 111845737 ZICFMGKCNYRZHU-UNOMPAQXSA-N 578.410 5.875 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OCC)c(Cl)c4)ccc32)ccc1OCc1ccccc1Cl 150441940 PTWMLBURDIIKQS-HKBQPEDESA-N 665.957 8.461 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2F)c1 150483714 PSXCSVWITCHLEV-MHZLTWQESA-N 651.930 9.017 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)cc1 164627179 GDJWQZSWAWEPEI-ODNPBWNPSA-N 755.369 8.144 50 10 KKGE CC(=O)N[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 195791272 RAXPVCSDMAMRLJ-BXXSPATCSA-N 584.140 5.854 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc(OC)c1OC 205651353 HNNJKYSCGZCYQQ-MTGJJOFUSA-N 540.616 5.847 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)c(C)c1 214364371 OCFJFFHAGJGXLV-PKAZHMFMSA-N 506.606 5.781 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214379923 TXYAWUTUSPSZNS-MNBJERMJSA-N 556.666 6.736 50 10 KKGE CC(C)(C)[Si](OCCCCCCCCC/C=C(/F)C(=O)N[C@H]1C[C@H]1NC(=O)/C(F)=C\CCCCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1 217644210 YCNBWNBYXDAZRZ-XMMYBCSWSA-N 977.483 12.461 50 10 KKGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CN2c3ccccc3Sc3ccccc32)cc1 254479842 VMEONQYLYCUVLQ-UHFFFAOYSA-N 515.642 6.601 50 10 KKGE CC(=NNC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 254557976 AVCCZKVJYHTCIB-UHFFFAOYSA-N 508.405 6.855 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1OCc1ccccc1 254875261 SOULRPZDIRXSCW-NDEPHWFRSA-N 571.515 7.212 50 10 KKGE CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](Cl)[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@@H]12 255970289 DUYDNPDLGLCXCC-NOXAKLDGSA-N 585.298 7.027 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCCC(C)C 256028446 MSCJUONREROTEH-UHFFFAOYSA-N 549.516 5.644 50 10 KKGE CC(C)(C)[Si](C)(C)OCCN1C[C@@H](c2cccc(CO[Si](C)(C)C(C)(C)C)c2)Cc2ccccc21 616672333 MVDGQCLBPUGDDZ-MHZLTWQESA-N 511.899 8.377 50 10 KKGE ClCc1nc2cncc(Cl)c2n1-c1cc(I)cc(I)c1 690396854 ULWREPOBDFDNTB-UHFFFAOYSA-N 529.934 5.022 50 10 KKGE C[C@@H]1Cc2cc(Br)cc([C@@H](Br)c3sccc3I)c2O1 720031019 GUBPDZDQVGHXBK-JMCQJSRRSA-N 514.020 5.923 50 10 KKGE Cc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 725381057 RVAFLBMWYNRKJZ-UHFFFAOYSA-N 603.959 6.396 50 10 KKGE O=C(O)COc1ccccc1C=NNC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 1081105086 UBGXIKBNNGXOQF-UHFFFAOYSA-N 506.971 5.434 50 10 KKGE CC(=NNC(=O)CSCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 1084049894 SKCGWPQWZKIWBK-RLPNJSHFSA-N 502.083 6.940 50 10 KKGE CCOc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(Br)c(Cl)c1O 1084081730 NXSZBJPQAWSJFA-UHFFFAOYSA-N 516.573 5.479 50 10 KKGE O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NN=Cc1ccccc1OCc1ccccc1 1084087053 SRBCQKIAWWMBEM-UHFFFAOYSA-N 606.542 5.412 50 10 KKGE Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 1084176549 OJRNESMPOBKYBV-SGWCAAJKSA-N 534.635 6.068 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 1084191224 AEENAYIDQMYOKH-XDHOZWIPSA-N 532.254 8.153 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OCc1cccc(F)c1 1084237143 SLWIGFPWLUQXBR-UHFFFAOYSA-N 576.216 6.448 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)S(=O)(=O)c2ccccc2)cc1 1084270325 OJSRZYYARNVGEW-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c2cc(Cl)ccc2OC)cc1OC 1084305974 XWIGZMDUIYPBGU-UHFFFAOYSA-N 680.010 6.426 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1 1084387056 WZGKEDVTYLLZTO-VWLOTQADSA-N 651.339 6.304 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 1084395678 SLNSEMPNUCCLIX-UHFFFAOYSA-N 562.695 6.254 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 1084621056 JVPQBFRYOWESFZ-RUZDIDTESA-N 527.448 6.273 50 10 KKGE CO[C@@H]1C=C2[C@H]([C@H](COC(C)=O)O1)[C@@H](OC(=O)c1ccccc1)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@H]2OCOCc1ccccc1 1307209395 PHRYVLYQRZHPOL-RPYCNASESA-N 762.972 6.765 50 10 KKGE CCOc1cc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 1772720009 CARLQAXHBFOQCH-UHFFFAOYSA-N 605.471 5.946 50 10 KKGE Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2cccc4ccccc24)CCC3)cc(C)c1Cl 1772748405 PTEZIBPCKQJBNV-UHFFFAOYSA-N 500.982 6.701 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687624 WFKFTNASQNZGON-AREMUKBSSA-N 539.051 6.472 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865689421 RTEJXZLNTRKVFG-SANMLTNESA-N 577.468 6.870 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(OC)cc2)cc1OCC 1865691719 ZKSCNVPILJBSCY-SANMLTNESA-N 502.615 5.629 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1OC 1865695314 NIKPDIJSEWUQGH-VWLOTQADSA-N 530.987 6.016 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696814 LECFOKONRBPYNX-JGCGQSQUSA-N 556.666 6.826 50 10 KKGE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701387 UMKVLZSPPWJLRG-MHZLTWQESA-N 563.460 7.127 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865707308 SYURAWAGTURMBS-RUZDIDTESA-N 563.441 6.149 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710151 POMKSTDVSHMTNA-QHCPKHFHSA-N 513.941 5.387 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865711093 PNCVAMBEOQCGNZ-VWLOTQADSA-N 530.550 6.461 50 10 KKGE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(OC)c(Cl)c1)C(=O)Nc1ccc(SC#N)cc1 1867142082 YGUWOMPQVSDTAV-ISKFKSNPSA-N 508.043 5.977 50 10 KKGE CCc1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3ccc(C(C)C)cc3[C@H]2c2ccccc2)n1 1868277713 FSVHAWXVRIRFPE-WJOKGBTCSA-N 505.691 7.631 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC(N4CCCCCC4)CC3)nc(-c3ccc(Cl)cc3)n2)cc1 1868433387 KKJRZOANYDPCNL-UHFFFAOYSA-N 519.118 6.959 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC(Cc4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 1868545480 XPAANMXITFAOIA-UHFFFAOYSA-N 578.742 8.125 50 10 KKGE CC(C)(C)OC(=O)NC[C@@](C)(CI)OCc1ccc(Cl)cc1I 1901597637 WUJCVLMZSBHODD-MRXNPFEDSA-N 565.617 5.180 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1cc(Br)sc1Br 1902789814 BERPTJOKKFCOCF-LBPRGKRZSA-N 526.088 5.373 50 10 KKGE CC[C@@H](Br)CN(Cc1ccccc1)C(=O)c1cccc(Br)c1Br 1915129491 AEJXEJYXUCTJLM-CQSZACIVSA-N 504.060 6.028 50 10 KKGE Cc1c(Br)sc([C@@H](Br)c2ccccc2Br)c1Br 1922938893 FYWQMJVCUQGGAS-JTQLQIEISA-N 503.879 6.828 50 10 KKGE C[C@H](c1ccncc1Br)[C@@H](Br)c1ccc(I)c(Cl)c1 1924041894 XJSNUDHUSRRWJY-XLKFXECMSA-N 515.414 6.342 50 10 KKGE Cn1nc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924568337 FIKPDAYACCMTRU-LURJTMIESA-N 528.289 5.907 50 10 KKGE Cc1nscc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924570058 DNVPWWHGJSRMJQ-ZCFIWIBFSA-N 510.896 6.285 50 10 KKGE CCc1ccccc1[C@@H](Br)c1c(Br)sc(Br)c1Br 1924586533 YXHRAWRAPPGRPY-SNVBAGLBSA-N 517.906 7.082 50 10 KKGE Cc1nc([C@@H](Cl)c2c(Br)sc(Br)c2Cl)c(Br)s1 2003567960 HOHYXPXCWXVZKR-BYPYZUCNSA-N 500.890 6.782 50 10 KKGE Brc1sc(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1Br 2057347021 RXCKJGXTTQBTDH-RBXMUDONSA-N 521.938 7.298 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2CCCCO2)c1Br 2085496959 YVPHCVOYPXYXFT-PRHODGIISA-N 570.739 6.742 50 10 KKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CC2 2141472285 BUTVJEFHPBNLOA-ZJUUUORDSA-N 588.704 7.218 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@]23CCOC[C@@H]2C3)c1Br 2141475947 UMUJCRYNQLRUED-MYWNEDRFSA-N 582.750 6.599 50 10 KKGE O=C1Cc2cc([C@H](Br)c3cc(Br)c(Cl)s3)c(Br)cc2N1 2172568257 AUECAWWFSUXXAN-LBPRGKRZSA-N 500.437 5.905 50 10 KKGE O=S(=O)(c1cc(Br)cc(CBr)c1F)N(CCC(F)(F)F)Cc1ccccc1 2179834722 LSLVCPKNOGOIFP-UHFFFAOYSA-N 533.179 5.626 50 10 KKGE O=C(N[C@H](CBr)CC1CCCC1)c1ccc(Br)cc1I 2207267410 LOJPJWIPIZTAMR-LBPRGKRZSA-N 515.027 5.127 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(Cl)c(Cl)c2Cl)oc1Br 2224322814 QPONMMIVROBUEP-VIFPVBQESA-N 512.250 7.558 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Br)c(Cl)s2)c(C)c1Br 2227350753 IRVMELWVKDFQIO-GFCCVEGCSA-N 552.351 7.790 50 10 KKGE Cc1cc([C@H](Br)c2c(Br)cc(C)c(Br)c2C)c(Br)s1 2227350886 YTMQLCBOTAMBHK-ZDUSSCGKSA-N 531.933 7.445 50 10 KKGE CCc1nc([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c(Br)s1 2288484220 OAXGOGPNQONBLK-SECBINFHSA-N 510.423 6.599 50 10 KKGE CN(C)c1ccc(C=C(C#N)c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 2296717959 YOFPIFUCKNPNRV-UHFFFAOYSA-N 503.002 6.985 50 10 KKGE O=C(COc1cccc2ccccc12)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2297550460 YLGRHNDQYCHPJX-UHFFFAOYSA-N 519.351 5.343 50 10 KKGE C[C@@H]1C[C@@]2([C@@H](Br)c3c(Br)c(Br)cc(Br)c3Br)C[C@@H]12 2312064002 MZDJDHOBYQNASX-JSLHKWLSSA-N 566.751 7.219 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)N(C)C)cc(I)c1OCc1ccc(Cl)c(Cl)c1 2313567802 LDJXFZVETGMZLR-UHFFFAOYSA-N 545.204 5.571 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 2313568423 SBJIPTJGKIOXRZ-UHFFFAOYSA-N 521.444 7.554 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 2313568521 WLBYAWYXYRRUNP-UHFFFAOYSA-N 547.409 5.192 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCc1cccc2ccccc12 2313571488 XKEQOTRMDVBRSI-UHFFFAOYSA-N 596.308 8.432 50 10 KKGE O=C(C=Cc1cccc2ccccc12)NC(=S)NNC(=O)CCCOc1ccc(Cl)cc1Cl 2313616907 SHCIXLFYIFDMGP-UHFFFAOYSA-N 502.423 5.041 50 10 KKGE C[C@H]1Oc2ccccc2C=C1C=C(C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Br)cc2)s1 2314433811 UPXOUFSRSMQFHF-MRXNPFEDSA-N 560.498 7.658 50 10 KKGE Cl[C@@H](c1ccc(OCc2ccccc2)cc1Br)c1cccc(Br)c1Br 2314461304 QESGULWMZUIHRB-FQEVSTJZSA-N 545.496 7.881 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)S(=O)(=O)c1ccccc1 2314477005 ZOKMDINCJKQMED-UHFFFAOYSA-N 572.712 5.442 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccco1 2314478443 LUAVFTLRGJQOKM-UHFFFAOYSA-N 500.558 5.935 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 2314610180 DNACNBWIBOSBPE-RUZDIDTESA-N 631.758 5.752 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)c(C)c1 2314618385 MOEOYXONJTXXNJ-UHFFFAOYSA-N 541.611 5.600 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 2314640637 GCSXNSNOABDGNZ-WJOKGBTCSA-N 603.889 8.063 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2F)cc1 2314640714 PZLHIQXMBPABCP-HKBQPEDESA-N 587.434 7.548 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Cl)c1ccc(Br)cc1I 2338016006 VXXCBQZFUPYOKB-AWEZNQCLSA-N 534.482 7.158 50 10 KKGE FC1(F)[C@H]2C[C@](CBr)(Cc3ccc(I)c(Br)c3)C[C@H]21 2349838797 CZHKVYFBOSLODB-IWIIMEHWSA-N 505.966 5.653 50 10 KKGE COc1c(Cl)cc(Br)cc1[C@@H](Cl)c1ccc(Cl)cc1I 2365599836 XRXRZASJCRVQSX-ZDUSSCGKSA-N 506.392 6.697 50 10 KKGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12581478 NFQJJCBMQLDHBD-UHFFFAOYSA-N 507.201 5.026 50 10 KKGE CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)c1C 33497136 LEPKGVNRNSJXKI-LRUGRNCASA-N 524.621 5.352 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 38686563 FKDWBCQTGAZVFX-NDEPHWFRSA-N 519.513 5.611 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1 38687554 BUNFPSREMMPRAN-MUUNZHRXSA-N 508.574 6.666 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(CC)cc2)cc1Cl 38700448 SKJFPRQVSDICFH-VWLOTQADSA-N 523.416 6.782 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)c1 38701157 QFJVBRILEBOFNW-GRNKHODPSA-N 516.682 7.376 50 10 KKGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1NN(c1ccccc1)c1ccccc1 40777898 MWHMUDMWFZHZSS-UHFFFAOYSA-N 510.385 5.053 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823281 JHPGTSQIIUPBRD-PNQUVVCRSA-N 513.797 5.483 50 10 KKGE CCCCCCCC(=O)NC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100171198 CENXEWFWROWSOM-UHFFFAOYSA-N 559.324 5.126 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(I)cc3)c(OCC)c2)cc1 100238677 DXYHNYWIFVGFES-NYFJFQCHSA-N 602.469 5.632 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=O)c1cc(Cl)cc(Cl)c1 100240614 QGEOWFNZISGSIG-UHFFFAOYSA-N 547.030 5.512 50 10 KKGE CCOc1cc(/C=C2/C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1Cl 101337973 LGSGSCUFFOOHLQ-UMFTVLFGSA-N 561.465 7.325 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccccc4Cl)o3)C2=O)cc1OC 101339291 HPFLJTMZGFGBFW-RCCKNPSSSA-N 502.954 5.452 50 10 KKGE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 101340930 YIALEBSTRYIGGH-LPYMAVHISA-N 533.411 6.373 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)ccc1OCC(C)C 101374424 JFCUWOPFCUUILC-XIFFEERXSA-N 560.650 6.686 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3F)cc2)cc1 101380527 IQUMJJXZDWQERK-KTBRYMIGSA-N 564.613 6.558 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)cc(C)c1Cl 101383837 URKCGEDJHIMAOH-HKBQPEDESA-N 585.031 6.878 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1Cl 101385675 SBEGXMIZYCAMHQ-HHHXNRCGSA-N 528.948 5.958 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)ccc1OCc1ccccc1Cl 101388279 CZZFSPKIJCPOFM-UMSFTDKQSA-N 625.121 7.790 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@H]1c1ccc(OCc2ccccc2)cc1 101390872 POAGOEYSDPURQH-MUUNZHRXSA-N 565.050 7.571 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)cc1OC 101395899 NVKBJWKHNAWDBA-IOWSJCHKSA-N 570.642 6.008 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)cc1OC 101395975 CRXGFGORYMVVAI-WJOKGBTCSA-N 584.644 7.676 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccccc1F 101399391 PGRGBBQEPMLOGP-HKBQPEDESA-N 590.563 5.957 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(/C=C(/C#N)c4nc5ccccc5s4)cc3)cc2)C1 103465213 JZHXFMAWMIPFBY-OAKIJKJRSA-N 557.697 6.246 50 10 KKGE CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 103765481 ROAUEWNDMFGWMR-PTNGSMBKSA-N 529.445 7.305 50 10 KKGE C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccccc1 105226904 QUFOBIIFQMUWHJ-RSZPVBOMSA-N 540.255 6.575 50 10 KKGE BrC[C@@H](COc1c(Br)cc(Br)cc1Br)c1ccccc1 115571334 IIWSLFMYZPVSSM-NSHDSACASA-N 527.876 6.532 50 10 KKGE ClCc1nc2cc(I)ccc2n1-c1ccc(Br)cc1Br 116715166 ZRHOYXWGQJFERV-UHFFFAOYSA-N 526.397 5.894 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)cc1 150428731 UXRXGLOJVLVGCC-LUHMOWLYSA-N 659.202 7.460 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 150440330 DTIPIGTYFDKJQC-XMMPIXPASA-N 711.212 9.389 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1F 150462918 WJACDBCMCPWUEQ-JWOUUYIMSA-N 650.732 5.774 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214315864 IRBNCDYDTJNULL-PKFJFBDISA-N 516.557 5.248 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1C 214336185 PJQQHUFVIMTCJE-ABLHTGRPSA-N 542.639 6.600 50 10 KKGE CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214365998 QYUGSRWFCRPMBW-CVUJBZCGSA-N 532.644 6.096 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C 214375630 IZOWHDSZJPWRCZ-RHANQZHGSA-N 526.640 6.565 50 10 KKGE Cc1cc([C@@H](Br)c2ccc(Br)cc2Br)sc1Br 235864182 KCKABTSAZOAKRH-NSHDSACASA-N 503.879 6.828 50 10 KKGE CC(C)(C)[Si](Cc1ccccc1)(Cc1ccccc1)O[C@]1(C)C=CO[C@@H]2CO[C@@H](Cc3ccccc3)O[C@]21C 248155796 INXHCOIWXVXIHV-SSZIUWPISA-N 542.792 7.358 50 10 KKGE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN=Cc2cccc(Br)c2)cc1 252620953 MPUISLKBQINCFM-VVIWAWFJSA-N 525.834 5.090 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=Cc3ccc(C(F)(F)F)cc3)nnc2-c2ccc(C)cc2)cc1 254430185 QNVDRVBPMJZKSB-UHFFFAOYSA-N 525.556 5.513 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](CCI)[C@](C)(CCI)[C@H]3CC[C@@]12C 254558238 KXOSGSAMSSIDCR-GYPWENPHSA-N 626.489 9.574 50 10 KKGE CCOc1ccccc1C=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1 254866950 XUVJNXWDWREIBB-UHFFFAOYSA-N 543.693 5.882 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)C(O)(c4ccccc4)c4ccccc4)c3C)sc3c2CCCC3)cc1 254867538 HDCJCYDKJNMPJR-UHFFFAOYSA-N 616.787 6.981 50 10 KKGE CC1(C)[C@]2(C(=O)Nc3cccc(NC(=O)[C@]45CC[C@](C)(C(=O)[C@@H]4Br)C5(C)C)c3)CC[C@@]1(C)C(=O)[C@@H]2Br 256019302 SJQCQMTVXCPUAI-KSADMFMESA-N 622.398 5.881 50 10 KKGE FC(F)(F)c1csc([C@@H](Br)c2ccccc2I)c1Br 306118792 YBXFAPNYRPOIIT-VIFPVBQESA-N 525.953 6.618 50 10 KKGE Brc1ccc(Br)c([C@@H](Br)c2ccccc2OCc2ccccc2)c1 310152521 NJEAXVGDENMBKX-FQEVSTJZSA-N 511.051 7.275 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 725403673 YYGPOUVOBLNWHS-BEVUZHMBSA-N 629.175 12.649 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)cc1 725427317 NSZPZIUSZKLVMT-NDEPHWFRSA-N 640.372 7.306 50 10 KKGE COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 1084141145 PRCJKUSEDDSVKT-UHFFFAOYSA-N 549.458 5.204 50 10 KKGE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 1084216835 VRESBQIRDDNGJM-YUMHPJSZSA-N 566.529 6.105 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)ccc1OCc1ccc(I)cc1 1084285979 RXTUOPNJJKIUOX-UHFFFAOYSA-N 565.205 5.405 50 10 KKGE O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 1084598606 FUOJYGBYAOICFW-UHFFFAOYSA-N 511.669 7.212 50 10 KKGE Cc1ccc2c(c1)C(=NNC(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)C(=O)N2C(C)C 1772720035 DJMWRLGSSFNZSO-UHFFFAOYSA-N 527.422 5.862 50 10 KKGE CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC4)ccc21 1772747326 OGWVLUDVVKQYIL-UHFFFAOYSA-N 563.614 6.276 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)ccc1OCc1ccc(C)cc1 1865688510 UEFXGTKENCFRBQ-JGCGQSQUSA-N 556.666 7.092 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OC)c1)C(C#N)=C(N)O2 1865688954 GDYVBAKYFXDXNZ-HHHXNRCGSA-N 579.459 6.745 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2c(F)cccc2Cl)cc1 1865693965 SOAMQFIIXACQNY-MUUNZHRXSA-N 573.068 7.187 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CCC)nn3-c2ccc(Cl)c(Cl)c2)cc1OC 1865695032 ICVDBGOETNUNPT-RUZDIDTESA-N 541.479 6.927 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCCCc1ccccc1 1865696697 JAYLCCMIMLKXJA-GDLZYMKVSA-N 534.660 6.444 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2c(c1)OCCO2 1865698172 MJKLGTCDLGRNQR-KRWDZBQOSA-N 509.271 5.187 50 10 KKGE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 1865701153 NOELIPULJSKANE-MHZLTWQESA-N 531.443 6.652 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1cc(Br)ccc1F 1865702255 QQOMUYXHYAIPHR-QFIPXVFZSA-N 501.359 5.718 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2c(OCc4ccccc4)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865703570 BNPMDNLQCXRDBL-MGBGTMOVSA-N 576.656 7.498 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2cc(C)ccc2C)cc1 1865706621 AWWXWALCHNVWLE-SSEXGKCCSA-N 503.650 6.101 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865711795 IFAIPBIWWZUSOS-QGZVFWFLSA-N 554.268 5.095 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865715184 YSWKEHJZACHQBU-JOCHJYFZSA-N 515.913 5.033 50 10 KKGE CC/C(=C\C(=O)N[C@@H](CCSC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867116031 URZXYOZYUCWFLO-WMJZSHNHSA-N 548.528 5.701 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)n2)c1 1868506070 PYDILIAUHMOMQD-AREMUKBSSA-N 526.597 5.286 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)nc(-c3cccnc3)n2)cc1 1868564808 FMBJRFBHWNKDMI-HSZRJFAPSA-N 501.015 6.087 50 10 KKGE CCCCc1ccc(N2C[C@@H](/C(O)=C(\C#N)c3nc(-c4ccc5c(c4)OCCO5)cs3)CC2=O)cc1 1872751037 QVVGUECGQYIHHG-IHSREPSTSA-N 501.608 5.770 50 10 KKGE N#C/C(=C(/O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2ccc3c(c2)OCO3)cs1 1872752813 TUXFRWGXKWFQHK-GFMRDNFCSA-N 511.490 5.428 50 10 KKGE Cc1ccc(C(C)(C)C)cc1-c1csc(/C(C#N)=C(\O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 1872755693 AGYTVXLRVAIUSU-QOCHGBHMSA-N 516.579 5.803 50 10 KKGE COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1OCc1ccc(Cl)cc1 1873793611 SKVXNPLVTAUSAM-MMOHFDRGSA-N 504.027 5.317 50 10 KKGE C[C@]1(CCOCc2ccccc2)CCN1S(=O)(=O)c1cc(CBr)sc1Br 1892700502 LVYLVWALAFHIQM-GOSISDBHSA-N 523.312 5.166 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cscc2OCc2ccccc2)c1 1899867498 QKSGQNQUDRATSP-RUZDIDTESA-N 544.308 8.153 50 10 KKGE CC[C@H](Br)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Cl)c1 1915077295 UKMUAQXJQUAVEN-HNNXBMFYSA-N 506.609 5.761 50 10 KKGE Fc1ccccc1[C@H](Br)c1c(Br)sc(Br)c1Br 1924579660 IIXLYOAQNQWSON-QMMMGPOBSA-N 507.842 6.659 50 10 KKGE Brc1sc(Br)c([C@H](Br)c2ccc(I)cc2)c1Br 1924585322 KJQPQCJFBYXQIZ-MRVPVSSYSA-N 615.748 7.125 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Cl 1924589655 DUSMVUYMNZEGJZ-VIFPVBQESA-N 538.324 7.482 50 10 KKGE Cc1c([C@@H](Br)c2sc(Br)cc2Br)nn(C)c1Br 2002831151 ZXDDXYUYTWVLOG-SSDOTTSWSA-N 507.871 5.562 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cscc2OCc2ccccc2)c1Br 2024293058 FRGPXZHXRKORPQ-IBGZPJMESA-N 531.107 7.645 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CC[C@@H]1C2 2025779021 BRHRHETZMMOJRZ-IDTHNEBUSA-N 508.273 6.817 50 10 KKGE Clc1sc([C@H](Cl)c2ccc(Br)cc2I)cc1Br 2026220246 CQYKLZMUNGIWJI-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE C[C@H]1OC2(C)CC1([C@@H](Br)c1c(Br)sc(Br)c1Br)C2 2038997469 TZNXLHCAUSKFEN-RZVVIQTJSA-N 523.910 6.429 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)c(F)c1F 2093948276 YGYTUVFWIKMZIQ-SSDOTTSWSA-N 543.822 6.937 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2CCn3nccc3C2)c1Br 2108966068 PFNLABYKEAYRBT-HZGVNTEJSA-N 533.909 5.931 50 10 KKGE CC1(C)CC(C[C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141468832 OCHUTMSSZIYERL-JTQLQIEISA-N 538.343 7.843 50 10 KKGE COCC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2141468921 PFXOWQZCANIRFH-GFCCVEGCSA-N 584.766 6.989 50 10 KKGE O=C(NCC[C@@H]1CCCC[C@@H]1Br)c1cc(Br)ccc1I 2179637250 SGTKHEAVGOXYNH-GWCFXTLKSA-N 515.027 5.127 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Cl)cc(Br)c2)c1Br 2201070923 OPADQTISOUTMLO-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE Fc1ccc(I)cc1[C@H](Br)c1c(Br)cc(F)c(Cl)c1F 2201620794 FDTNALPRKCPDNC-NSHDSACASA-N 540.342 6.609 50 10 KKGE COc1cc(F)c([C@@H](Br)c2cccc(C)c2I)cc1Br 2202904599 UKODXDVZVUXANS-AWEZNQCLSA-N 513.970 5.994 50 10 KKGE O=C(c1cc(Br)ccc1I)N1CCCC[C@H]1CCCBr 2206675992 YKFSAXVDPOPKPV-LBPRGKRZSA-N 515.027 5.224 50 10 KKGE C[C@](CI)(O[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1Br 2250385347 GAEHPTDPRDSODB-FXAWDEMLSA-N 500.218 5.390 50 10 KKGE Clc1cccc([C@@H](Br)c2cc(Br)ccc2Br)c1Br 2256132050 RSZQFYUOKHRNSZ-GFCCVEGCSA-N 518.268 7.112 50 10 KKGE Cc1cc(F)c(Br)cc1[C@H](Br)c1c(Br)sc(Br)c1Cl 2270429580 NCLFOEUGQMLUCO-VIFPVBQESA-N 556.314 7.621 50 10 KKGE Fc1cc(Cl)c([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 2270461985 WWIZECVUQVDLFV-QMMMGPOBSA-N 621.183 8.075 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2293202181 QWUWPYQBFIAZRQ-UHFFFAOYSA-N 514.478 7.545 50 10 KKGE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2296500366 LNOGABMXXRPVRH-UHFFFAOYSA-N 555.414 7.843 50 10 KKGE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)c1 2296545423 PPXQVSRCFTVIQQ-UHFFFAOYSA-N 536.407 5.205 50 10 KKGE CCOC(=O)c1sc(NC=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C(=O)OCC)c1C 2296790174 UQDXKKUQSZLJDS-UHFFFAOYSA-N 502.017 6.163 50 10 KKGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C(C#N)c3nc(-c4cc5cc([N+](=O)[O-])ccc5oc4=O)cs3)cc2)n1 2297449108 ZDCRCTRJHBDWIU-UHFFFAOYSA-N 601.626 5.009 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1 2313519046 XFUJSWOOOUAAPX-UHFFFAOYSA-N 544.776 6.078 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCc1ccccc1Cl 2313521586 YAGSHNCOQFMWFY-UHFFFAOYSA-N 558.803 6.386 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C(C)C)cc1 2314592200 NTCRZBXNTBNPTH-AREMUKBSSA-N 516.066 6.837 50 10 KKGE COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(C)=C(C#N)C2=O)cc1 2314619746 DSGZMIRGKHKDRI-UHFFFAOYSA-N 507.373 6.097 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C(C)=C(C#N)C1=O 2314619831 GBTKZFTTWLOOKN-UHFFFAOYSA-N 634.664 5.429 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(I)c(Br)c2)CC1 2325366531 VGIXFEIABPPHCK-UHFFFAOYSA-N 636.106 5.775 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2cc(OC)c(OC)c(OC)c2Br)n1 2331322996 QWXNPUZMEIGSDC-UHFFFAOYSA-N 517.401 5.865 50 10 KKGE COc1ccc(Br)c(CBr)c1OCc1sccc1I 2338752224 KCSCNVSLVSTVAP-UHFFFAOYSA-N 518.008 5.598 50 10 KKGE Cc1ccccc1[C@@H](CBr)OCc1cc(I)ccc1Br 2367602418 SDPGSXQBGJMCRJ-MRXNPFEDSA-N 510.007 6.015 50 10 KKGE Brc1cc(CO[C@H](CI)c2ccccc2Br)ccc1I 2377593066 DQLTVMJQYHDERT-OAHLLOKOSA-N 621.876 6.509 50 10 KKGE Cc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(Br)cc3)c(C)c2c1 38687915 HLMZZBWYRPIHHP-DEOSSOPVSA-N 515.363 6.250 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2 40813553 VFLOXMQQAMFTOV-DFKUXCBWSA-N 506.389 6.771 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1 59154935 PWSXXMLBEPYUCL-BIZUNTBRSA-N 507.590 5.116 50 10 KKGE C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)CC[C@@H]12 95858011 JWLXQUMDRGJLMS-SJQIPMMSSA-N 548.595 7.037 50 10 KKGE C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4cc(Br)c(O)c(Br)c4)nc(O)c23)C1 97980667 BBZYSWDNSPWNLK-WUFUFFIZSA-N 521.234 5.816 50 10 KKGE Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Br)c1 100080515 IBVAJLPZOLDBNH-UHFFFAOYSA-N 597.535 5.022 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 100082607 QHEIHDSKMOGYBM-UHFFFAOYSA-N 613.331 5.746 50 10 KKGE CCOCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C1=O 101336025 LSWFYQWREZTOEA-QCFMCPCVSA-N 622.725 7.290 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362650 FYNWQWUHWYKSPA-PMERELPUSA-N 538.987 6.122 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OC 101372184 DRVISRATZUDZQI-WJOKGBTCSA-N 542.632 6.165 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1OC 101375275 WVZCRYJLJWFGOZ-SSEXGKCCSA-N 542.632 6.490 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5ccc(OCC(C)C)cc5)ccc43)cc2)cc1 101378753 NCXWMBJCCWZLFE-XIFFEERXSA-N 560.650 7.046 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379344 AQWHEYBMTNPTSW-XFSFLGPDSA-N 581.068 7.072 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc(C)c1Cl 101382935 YHXPXMJJEZDFBR-WJOKGBTCSA-N 601.486 7.392 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 101387760 CUCVJBADSRPYQD-MGBGTMOVSA-N 576.649 6.809 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccco4)ccc32)ccc1OCc1ccccc1Cl 101388170 ABQMOFIJGBYJAL-MUUNZHRXSA-N 542.975 6.348 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101388889 VPXNSEBBJTUFRS-PWFRWNHDSA-N 576.624 6.949 50 10 KKGE Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(OCc4ccccc4F)cc3)oc2c1 101397766 KKDONTPJXIZUHF-HKBQPEDESA-N 560.581 7.205 50 10 KKGE CCOc1c(Br)cc(/C=N/NC(=O)CCCOc2ccc(CC)cc2Br)cc1OC 101767000 GZODWEFUROEZNV-AFUMVMLFSA-N 542.268 5.491 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1I 103452068 VIRRQADIRQZVHP-FMIVXFBMSA-N 519.682 5.658 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(I)c1OCc1ccc(C)cc1 103879982 NXFCLLQWQWWCCI-RWPZCVJISA-N 554.384 6.087 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1 150428306 QTPPXOMWYVWLGV-UHFFFAOYSA-N 651.421 6.429 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl 150462263 KMVHOUDKOFRANU-YTTGMZPUSA-N 679.984 8.851 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485400 RZNZQPGUFRNTGF-DRKIFQHWSA-N 635.475 7.311 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)c(C)c1 214304865 OUQKQGLVPOLOQA-CEUNXORHSA-N 552.675 6.044 50 10 KKGE BrCc1cc(Br)c(OCc2cncc(Br)c2)c(Br)c1 232484832 RJTJWCVZDQYAEZ-UHFFFAOYSA-N 514.837 5.843 50 10 KKGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)c(Cl)c1 252609365 HSOWRLPCHBUKFE-UHFFFAOYSA-N 535.236 5.477 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1c[nH]c2ccccc12 252621933 NKJWVDQLESBTKS-UHFFFAOYSA-N 531.645 5.756 50 10 KKGE COc1cc(Br)cc(Br)c1OCC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12 252622008 NMMHRLZUEABWJE-UHFFFAOYSA-N 571.269 5.752 50 10 KKGE COc1ccc(C=NNC(=O)c2cccc(Cn3nc(C)c([N+](=O)[O-])c3C)c2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 252639704 YNAMAKMNRSCBHO-UHFFFAOYSA-N 685.779 8.075 50 10 KKGE O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@]2(F)Cl)c1ccc(Oc2ccc(C(=O)N/N=C/[C@@H]3C[C@H]4C[C@H]3[C@](F)(Cl)[C@]4(F)Cl)cc2)cc1 253388587 UXJICYMVFNDWNU-WSPCGSEFSA-N 708.367 7.841 50 10 KKGE CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 254395643 YQENCRAGTQZHEL-UHFFFAOYSA-N 610.917 7.481 50 10 KKGE Cc1cc(-c2ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)[C@@H]3Br)C4(C)C)c(C)c2)ccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 256019845 IACTWMDTMFCIDM-XEGHCTPASA-N 726.550 8.165 50 10 KKGE CCOc1ccc([C@@H](Cl)c2ccc(I)c(Br)c2)cc1Br 721588801 PTWHLLZVPKQSPS-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 1083817656 WUWBJKZWDLYUSB-GGEKVXJASA-N 684.943 5.808 50 10 KKGE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 1083911076 MNRRAMYWFDEEIJ-UHFFFAOYSA-N 504.546 6.693 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCc1ccc(Cl)cc1 1083938272 COIFUXQKDFPUON-LICLKQGHSA-N 579.221 6.731 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 1083991077 FTZBWSADTREOJP-HSZRJFAPSA-N 555.425 5.119 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1ccc(C)cc1 1084209118 FCKFAGNLEIXWRD-UHFFFAOYSA-N 622.563 8.265 50 10 KKGE Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1 1084330146 INYHWUHFFQWMNT-UHFFFAOYSA-N 563.035 5.716 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1c(C)nn(-c2ccccc2)c1N(CC)CC 1084407594 IKLSCTSBZWGJMB-QFIPXVFZSA-N 606.200 5.701 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCc1ccc(Cl)cc1 1084453896 RBBGXOFMXFMPEG-JCMHNJIXSA-N 613.883 5.788 50 10 KKGE Cc1c(C(=O)Nc2cccc(Cl)c2)oc2c1C(=NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 1772746809 ABFNHKMVAKWHGV-UHFFFAOYSA-N 501.326 5.526 50 10 KKGE CC1=CC[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3OCC(=CC=C[C@H](C)[C@@H]1O)[C@]32O 1848440268 UDSBHISMKVVKSA-JGRGSCPISA-N 687.003 7.171 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)I)CC[C@]4(C)[C@H]3CC[C@]12C 1848665504 QAKZCDKFOJOVRK-KQMZOHCDSA-N 568.624 8.763 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)cc1OCC 1865687746 ZHQQKLDZXXAXJM-JOCHJYFZSA-N 528.531 5.695 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1cc(Cl)ccc1O 1865688987 GSPKXZPWUWGJRD-OAHLLOKOSA-N 501.679 5.775 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2F)cc1OC 1865692058 ILTAZLZKROTCTC-HSZRJFAPSA-N 541.421 5.547 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccccc2Cl)c1 1865693064 HKIZREQEOXNSOV-SANMLTNESA-N 527.024 6.267 50 10 KKGE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865696785 KJRHHIGJRWWDBS-NDEPHWFRSA-N 541.051 6.326 50 10 KKGE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1cc(Br)c(OCC)c(OC)c1)C(C#N)=C(N)O2 1865697679 ZFGLFFAMUIXKPM-QHCPKHFHSA-N 537.458 5.580 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865697779 BNUVIFLPKKQGOI-VWLOTQADSA-N 526.980 5.250 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 1865701947 JDYXOPPGABBKAE-SANMLTNESA-N 506.512 6.197 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1F 1865702391 URZFIBXOJLAFQG-MRXNPFEDSA-N 501.242 5.753 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865703805 GDADFBCJOYJBEU-SSEXGKCCSA-N 565.048 7.237 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865705043 KNTAFRPWRQZSLF-MHZLTWQESA-N 541.051 6.592 50 10 KKGE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1cccc(OC)c1OCc1cccc(C)c1)C(C#N)=C(N)O2 1865706280 SBOXYOGYHJCRIM-PMERELPUSA-N 542.639 6.702 50 10 KKGE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(C(F)(F)F)cc2)c1 1865710797 IQMMVWDJWNSVFS-XMMPIXPASA-N 500.524 6.452 50 10 KKGE Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1865759528 FJAAKCYYBJRWFJ-UHFFFAOYSA-N 503.349 5.448 50 10 KKGE CSCC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)Nc1ccc(SC#N)cc1 1866679956 DNTJTFOLHIADHU-HSZRJFAPSA-N 536.723 5.940 50 10 KKGE Cc1cc([C@H](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)ccc1F 1866768172 UMYCZUGOLHHTOT-VPUSJEBWSA-N 519.642 5.909 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(Cc3ccccc3)n2)C1 1868207025 CVUULDJXHZUEJG-OAQYLSRUSA-N 507.663 7.113 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@H](CS(=O)(=O)c4ccccc4)C3)nc(-c3ccccc3Cl)n2)cc1 1868415004 SRCYBUYPQWZVBV-NRFANRHFSA-N 576.147 6.804 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3C[C@H](C)N(c4ccccc4)[C@H](C)C3)n2)cc1 1868527671 FSQQIZDJNHYTER-ZRZAMGCNSA-N 536.705 6.963 50 10 KKGE N#C/C(=C(/O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2ccc3ccccc3c2)cs1 1872745275 FRSZUHJYVMGZEH-GYHWCHFESA-N 510.531 5.741 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc4c(c3)CCCC4)cs2)\c2ccccc2)cc1 1872745339 IMPGNCOOOAMAFD-LFZPJOOBSA-N 504.655 8.121 50 10 KKGE COc1ccccc1-c1csc(/C(C#N)=C(O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)n1 1872747314 WZVWKCFJJXNHNZ-JKOZVUPWSA-N 501.007 7.557 50 10 KKGE FC(F)(F)c1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1 1923074822 RZBWVRUIAJUAOP-QMMMGPOBSA-N 513.398 7.430 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@@H]1CCC[C@@H]2CCCC[C@H]21 1924614828 ROJRMENWDMMWRQ-WTBMIXGQSA-N 505.541 7.922 50 10 KKGE Cc1sc([C@H](Br)c2csc(Br)c2Br)cc1Br 1937734519 KOUMBDRQNHXFMZ-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE CCN[C@H](c1c(Br)sc(Br)c1Br)[C@H]1C[C@@H](Br)C1 2020160717 GTLRMHZAOCDHQV-MYINAIGISA-N 510.915 5.860 50 10 KKGE COc1ccc(OC)c(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4S3)nc3ccccc3c2=O)c1 2042440991 WBYYWTSVCGXTBC-UHFFFAOYSA-N 528.615 5.017 50 10 KKGE CCCOc1ccc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1 2079245295 AVVZINNIVZNPLG-UHFFFAOYSA-N 503.100 5.239 50 10 KKGE Cl[C@@H](CC1CCCC1)c1c(Br)c(Br)cc(Br)c1Br 2085495240 JDCDKNCMJGDMFV-JTQLQIEISA-N 524.316 7.597 50 10 KKGE Cc1cc(Cl)c([C@@H](Br)c2cc(I)ccc2Br)cc1Cl 2136691707 ISJNDKVNOIKNIQ-AWEZNQCLSA-N 534.844 7.153 50 10 KKGE C[C@]1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)COCCO1 2141471833 WUZLPTWZNRFQFB-NWDGAFQWSA-N 542.287 5.822 50 10 KKGE Clc1ccc(Br)c(CO[C@H](CI)c2cccc(Br)c2)c1 2200751201 KMBGZDFRTBOAHP-OAHLLOKOSA-N 530.425 6.558 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)Cc2ccccc2I)c1Br 2201073304 YWEIEFNIQIFNBM-CYBMUJFWSA-N 528.453 6.956 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(I)ccc2Br)c1Br 2201083304 YIIBNGAGCFOZPQ-OAHLLOKOSA-N 637.773 7.680 50 10 KKGE FC1(F)[C@@H]([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C12CCC2 2206399210 DMKHIWKFQPEMAZ-MNOVXSKESA-N 602.731 7.608 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206405310 IUTLKHRCDPNKPK-AWEZNQCLSA-N 566.740 8.027 50 10 KKGE C[C@H]1CN(Cc2ccccc2)CC[C@H]1n1c(CCl)nc2cc(Br)c(Br)cc21 2234072883 IUCONCVCGPCUBE-IFXJQAMLSA-N 511.689 6.383 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)Cc1ccc(Br)cc1 2288494093 BKXIZOJTANPLHN-SECBINFHSA-N 533.830 6.931 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc(Br)ccc2OC(=O)C=Cc2ccco2)cc1 2293128385 UPUWTKDKDQECKN-UHFFFAOYSA-N 581.507 6.904 50 10 KKGE Cc1c(Cl)cc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1Br 2295332116 RZKUHRAXOQQMSS-OAHLLOKOSA-N 501.871 7.459 50 10 KKGE CCOC(=O)c1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1 2296506815 GLPFJGDXKDLNCE-DEOSSOPVSA-N 576.472 5.691 50 10 KKGE N#CC(C(=O)Nc1cccc2ccccc12)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2296507157 WAEQHONPYKEXSP-VWLOTQADSA-N 544.463 7.212 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)sc2c1CCCC2 2296719315 AVQLGQXNRUNQBA-UHFFFAOYSA-N 619.497 5.912 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Cl)cc1 2296930525 ODMWGIGFRIUQDD-QFIPXVFZSA-N 546.838 6.851 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2c(Br)cccc2Br)s1 2300957399 NSFROSVYESOSGF-JTQLQIEISA-N 571.297 7.015 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C(C#N)c4nc5cc(C)c(C)cc5[nH]4)c3C)sc3c2CCCC3)cc1 2313543521 GVWCPRQSOLLDEO-UHFFFAOYSA-N 559.739 8.152 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccc(I)cc1 2313568319 UPXPRTUIPLHAOM-UHFFFAOYSA-N 658.334 5.897 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCc1ccco1 2314478626 PVECCMMYDUOWMN-UHFFFAOYSA-N 518.548 6.074 50 10 KKGE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 2314532883 NTNNUJYTGFIUKQ-UHFFFAOYSA-N 519.388 6.265 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(C)c(C)c1 2314592399 SLPTVMGUZZMPNT-VWLOTQADSA-N 562.489 6.140 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 2314592921 DPORNIZGLHNIBH-BCHFMIIMSA-N 550.511 6.914 50 10 KKGE C=CCNC(=O)C(C#N)=C1S[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1c1ccc(OCC)cc1 2314593372 MALBUDAHMRPEGX-NRFANRHFSA-N 502.423 5.121 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314594105 ZDKXLIJDCZAKCF-CCLHPLFOSA-N 530.093 6.767 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2314618582 PYVZRQBPJUVORR-UHFFFAOYSA-N 500.514 5.671 50 10 KKGE CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3Cl)ccc21 2314634822 PZFPYGGIDZVOMG-NDEPHWFRSA-N 535.427 7.009 50 10 KKGE CCCCCOc1ccc(C=CC(=O)Oc2ccc(C=C(C#N)C(=O)NCc3ccco3)cc2)cc1OC 2314754594 WJZLCKJHSMQZFX-UHFFFAOYSA-N 514.578 5.699 50 10 KKGE Cc1sc2nc(SCC(=O)NN=Cc3ccc(C(C)C)cc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1 2320487632 HSKOVXZVSYNGHY-UHFFFAOYSA-N 552.725 6.788 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@@H](Br)c1cccc(I)c1 2335369556 SIXIBRSOWLXEBK-NSHDSACASA-N 538.807 6.984 50 10 KKGE Clc1ccc(CC[C@@H](Br)c2ccc(Br)cc2)c(I)c1 2341049433 YXIKRRYCSZJIKW-CQSZACIVSA-N 514.426 6.776 50 10 KKGE CCCOc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)c1 6167463 RGHNQCZDAPUQHL-YDJQKXNPSA-N 577.703 5.762 50 10 KKGE O=C(CCCl)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)C[C@@H]1c1ccc(Br)cc1 6446806 GLSWNFVNELFUFN-HSZRJFAPSA-N 613.737 7.027 50 10 KKGE Cc1c(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)c(=O)n(-c2ccccc2)n1C 29492882 IQAQXJDCGVFQRR-HFTWOUSFSA-N 624.676 6.601 50 10 KKGE CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OC)c2)cc1Cl 38650202 SODRESLKRCAKMX-QHCPKHFHSA-N 511.361 5.838 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2[C@@H]1c1ccc(Br)cc1 38651832 CPCXUJZJVJWVKC-QHCPKHFHSA-N 511.759 5.305 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3cccc(C)c3C)ccc21 38686167 XJZHCFSXLHXMNZ-SSEXGKCCSA-N 512.606 6.075 50 10 KKGE O=C(CCCc1c(-c2ccc3ccccc3n2)[nH]c2ccc(Cl)cc12)NNC(=O)c1cccc(Cl)c1 39867472 LHIVZOIVPZVPRV-UHFFFAOYSA-N 517.416 6.474 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)CCC3)c(C)c1 40816284 JORBTHUVZXJQMG-TWKHWXDSSA-N 514.409 6.000 50 10 KKGE CCOc1cc(C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc(OCC)c1OCC 40864594 WYRRXIHNURZYHA-HYARGMPZSA-N 521.997 6.828 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 58892028 JVPQBFRYOWESFZ-DVMDLWDRSA-N 527.448 6.273 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 58894898 FRCJZXYSZOXWHP-WUKQQSQZSA-N 525.045 5.989 50 10 KKGE Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)cc1 59158226 NPEXGXNKUUADLH-VUTHCHCSSA-N 506.624 5.340 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1COc1ccc(C(=O)OCC(C)C)cc1 97997757 SMDCDPWEJOZMDM-IPPBACCNSA-N 539.972 5.413 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 100097599 ZQHLHYQQTKGDGB-UHFFFAOYSA-N 584.264 5.637 50 10 KKGE CC(C)CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 100190917 WGPLLDJHXGPWSK-UHFFFAOYSA-N 607.752 5.004 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 100238038 PRZOYWQSPYXMPB-POBUXNOSSA-N 531.436 5.944 50 10 KKGE Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C(Br)Br)([C@@H]1Br)C2(C)C 100921791 QKWQOHJOYSXIFH-AFAVFJNCSA-N 528.510 6.273 50 10 KKGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c(Oc3ccc(C(C)(C)C)cc3)nc12 101115326 UODKBDMSLSDUCS-SDXDJHTJSA-N 547.442 6.945 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(C(F)(F)F)ccc2Cl)C(=O)N1c1ccc(C)c(C)c1 101246886 MIGWWEOJPMQOCB-OMBWOSJFSA-N 586.035 7.049 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4OC)ccc32)ccc1OCCC(C)C 101374924 DAILQWVLDRCFHP-HKBQPEDESA-N 558.631 5.721 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381164 JVHFISBJXNNBSC-NDEPHWFRSA-N 588.403 6.918 50 10 KKGE COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccc(Cl)cc2)c1 101383123 KCYHVYKDXVDREE-GDLZYMKVSA-N 538.987 6.365 50 10 KKGE Cc1cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3F)c2)ccc1Cl 101383829 AHLBRYIGEKHZLD-HKBQPEDESA-N 571.004 6.569 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccccc1F 101386636 FWDRYSDZKVYMSX-KZLCEWNNSA-N 583.015 6.904 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)ccc1OCc1ccccc1F 101386965 IMEPQXPIXPINIQ-LJAQVGFWSA-N 601.974 6.412 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(Cl)cc1Cl 101389768 IMQLWABZNRXUCX-WJOKGBTCSA-N 601.486 7.717 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)oc2ccc(F)cc12 101391359 JTZKMYPORXTCPQ-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE CCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396057 UNBJCGBPXFBQBV-HSZRJFAPSA-N 551.451 7.434 50 10 KKGE CCCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(CC)cc4c3C)ccc21 101397342 XJPJAJPYUQJXCJ-SSEXGKCCSA-N 536.628 7.310 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(C)ccc5c4Cl)ccc32)ccc1OCc1ccc(C)cc1 101398976 RAPXAPHIJUPMFT-HKBQPEDESA-N 623.130 8.197 50 10 KKGE CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 101638821 WUBIREGQVGLNRW-BBALGULKSA-N 583.516 5.091 50 10 KKGE biogenic COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 102084577 HJLXCYOBZHARCR-UNOMPAQXSA-N 569.992 7.573 50 10 KKGE CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(=O)OCC)c1C 102924558 VMACWBQFVOSOAV-XNTDXEJSSA-N 511.581 5.239 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@H](CC[C@@H]5[C@@]6(C)C[C@H](O)[C@@H](Br)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 105413559 KJMGDBGFBNCRQT-IQKUAYCJSA-N 521.624 7.611 50 10 KKGE O=C1OC(=O)c2cc(Oc3cccc(N4C(=O)c5cc6ccccc6c(-c6ccccc6)c5C4=O)c3)ccc21 105439267 LRTLLPVPDGPMEX-UHFFFAOYSA-N 511.489 6.410 50 10 KKGE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(/C#N)c3nc4ccccc4c(=O)[nH]3)c2)C1 109562120 QKVYPLRCRLEWED-FCBRYHHASA-N 590.709 5.507 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(Br)cc1 163809113 IXFBTJKPEKPHBI-VFLNYLIXSA-N 698.149 7.304 50 10 KKGE C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C 198015856 LRSJTQPYYQNQPP-UHFFFAOYSA-N 984.781 6.569 50 10 KKGE C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C(=O)N(CCO[Si](C)(C)C(C)(C)C)c2ncccc2-c2ccccc21 204930526 ATTVJOXDCUSTNN-WMZHIEFXSA-N 554.764 5.188 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC(C)C)C(=O)C(C#N)=C2C)cc1 214271608 HODHBLVCJUWWEW-PKAZHMFMSA-N 508.622 5.966 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 214333687 GAEXJTZRFYMEOZ-AWXAQXEGSA-N 573.609 6.200 50 10 KKGE Clc1sc([C@H](Br)c2cc(Br)ccc2Br)cc1Br 227844828 HYAYNCFHAZCSDG-SNVBAGLBSA-N 524.297 7.173 50 10 KKGE Clc1cc([C@H](Cl)c2cc(Br)sc2Br)ccc1I 232342127 LOWOXROACBGWHD-JTQLQIEISA-N 526.846 6.859 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)[C@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 251407060 MYCARRQNTBVVPF-KSCDKVHLSA-N 521.295 9.920 50 10 KKGE biogenic CC(=O)Nc1cccc(C(C)=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c1 252626828 RGJDUBQNWWPQOX-UHFFFAOYSA-N 566.989 5.053 50 10 KKGE COc1ccc2ccccc2c1C=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 254912349 VEHFOARGBWNJTK-UHFFFAOYSA-N 554.697 5.730 50 10 KKGE CC(C)(C)[Si](OC[C@@H]1OC=C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O)(c1ccccc1)c1ccccc1 255968135 CWKMLPNAHWLONH-KVBYWJEESA-N 622.954 5.782 50 10 KKGE Brc1ccc(C[C@@H](Br)c2ccc(I)c(Br)c2)cc1 721572532 LZANPIBIUXKTEW-GFCCVEGCSA-N 544.850 6.495 50 10 KKGE Cc1sc([C@H](Br)c2cc(Br)ccc2Br)c(C)c1Br 724909938 PUORWPISFBGEKH-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc3ncn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)c32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 888084789 UDVSLNPMAIZCSA-ZRZALWPLSA-N 776.125 8.704 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1Cl 1083902764 VBZILGUMPANONF-UHFFFAOYSA-N 533.799 5.062 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1083922625 HNOIARVXOJSFJR-UDWIEESQSA-N 561.296 7.135 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1 1083958879 GAQOEGALMPUHJR-JOCHJYFZSA-N 658.249 5.578 50 10 KKGE Cc1cccc(-n2c(C)cc(C=NNC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)c2C)c1 1084018170 GVPWBCVGAPLSFO-UHFFFAOYSA-N 535.069 5.402 50 10 KKGE Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=NNC(=O)c4ccccc4O)cc3[N+](=O)[O-])sc2c1 1084112262 FZRSELLIWOVFEC-UHFFFAOYSA-N 583.651 6.386 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 1084331569 DZWVZGQFCCGVTE-QHCPKHFHSA-N 501.410 5.935 50 10 KKGE Cc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)c2ccccc2F)cc1 1084404725 LFOGVLGNAXLRPD-UHFFFAOYSA-N 581.669 6.212 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)c2C)c1 1084449414 FRXPEYIHQAHEIN-UHFFFAOYSA-N 533.720 5.793 50 10 KKGE COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Br)c3)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1084570960 SDSKGALRRIXHOF-UHFFFAOYSA-N 670.542 5.128 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1F 1084599829 WCNTZQIPPVCLBL-MUUNZHRXSA-N 534.628 5.895 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1 1084610109 KANLIDAOHKYKKQ-DBLCTAIISA-N 533.584 5.720 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1614653097 CVEMKBHPDGQINQ-OVKUSIIASA-N 530.093 6.767 50 10 KKGE Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(=O)c1cccc(Cl)c1)CCC2 1772746640 YUSSEZIPPNEJKZ-UHFFFAOYSA-N 500.780 5.727 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1OCC 1865687336 OXYWEZXKOHUBQR-JOCHJYFZSA-N 564.967 6.538 50 10 KKGE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C#N)=C(N)O2 1865688590 VXXFNAVZFHFQLS-PMERELPUSA-N 552.650 6.527 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2ccc(OCc4ccc(C)cc4)cc2)C(C#N)=C(N)O3)cc1 1865692466 GGWNEMDKVAQNRB-WJOKGBTCSA-N 572.640 6.852 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)cc1OC 1865693516 WOERDMVZDSUSRA-QHCPKHFHSA-N 557.876 6.061 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cc(C)ccc2C)cc1OC 1865696151 KLGJPWUNXZRBIE-WJOKGBTCSA-N 578.713 7.020 50 10 KKGE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC(C)C)c(OC)c1 1865698458 UJTUNGUFXHRDBY-FQEVSTJZSA-N 509.404 5.346 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2)ccc1OCc1ccc(Cl)cc1 1865701132 MPQHGESYMZOMOY-HHHXNRCGSA-N 512.997 5.699 50 10 KKGE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(OCc3ccccc3C)cc1)C(C#N)=C(N)O2 1865702560 BNIFPSVKBSCVII-HKBQPEDESA-N 526.640 7.084 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1cc(Br)ccc1F 1865702708 ZYDLHJQHYSLAQR-MRXNPFEDSA-N 511.248 5.209 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)C(C#N)=C(N)O2 1865712413 XUDFZSVDEPEIQU-OAQYLSRUSA-N 528.352 5.029 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865714348 IBZNKWXQDHUFDF-IBGZPJMESA-N 504.215 6.112 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)C[C@H](c2ccccc2)C2CC2)cc1 1866719516 GVSKHKARCDOABI-SXOMAYOGSA-N 515.704 6.200 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1C 1866771975 PDDSUBCNUYRRMH-WUFINQPMSA-N 561.773 6.763 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@H](c2ccc(Cl)cc2)C2CCCC2)cc1 1867007908 PPHYAZIOFMNBAH-NSOVKSMOSA-N 564.176 7.244 50 10 KKGE CCCC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1867142671 GPAUNMALEPAVLB-FTJBHMTQSA-N 550.522 6.858 50 10 KKGE Cn1cc([C@@H]2C(=O)NCCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)c2ccccc21 1868342230 OVVAHFFSLSHTOE-RUZDIDTESA-N 511.655 5.260 50 10 KKGE COc1ccc([C@@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4)n3)CCS2)cc1 1868365310 NYHZCXCIYSIVIK-VWLOTQADSA-N 511.676 6.763 50 10 KKGE CC(C)(C)c1ccc([C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3)n2)cc1 1868365889 XQLLDRCYKAOCQD-HHHXNRCGSA-N 505.691 8.099 50 10 KKGE CC(C)(C)c1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)n2)cc1 1868545170 TXLZQIGNICPDGL-MUUNZHRXSA-N 552.679 6.574 50 10 KKGE N#C/C(=C(/O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1nc(-c2ccc(F)cc2)cs1 1872753490 ZOJSMFHXNCGGCQ-QOCHGBHMSA-N 504.008 5.727 50 10 KKGE COc1cc(C)c(-c2csc(/C(C#N)=C(\O)CNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1C(C)C 1872753873 QZTORYOLUVGTLU-BZZOAKBMSA-N 503.668 6.771 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)ccc1OCc1ccc(Cl)cc1Cl 1872784754 ZSXJTVYTQAYDMQ-YBFXNURJSA-N 523.441 7.777 50 10 KKGE CC[C@@H](Cl)CN(Cc1ccccc1)C(=O)c1ccc(I)c(Br)c1 1915076901 QYFAEYLAIIRQNM-OAHLLOKOSA-N 506.609 5.714 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Cl)c1cc(Br)ccc1Br 1923054173 BDIYGZAGUCGLJC-QMMMGPOBSA-N 558.742 7.780 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1Br 1924593739 HRIFGIVXTJFAIV-JTQLQIEISA-N 538.324 7.435 50 10 KKGE C[C@H]1COc2ccc([C@H](Br)c3cc(I)ccc3Br)cc21 1925756245 NRBBPMHEWVGIEC-FVMDXXJSSA-N 507.991 6.034 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2ccc(Br)cc2I)s1 2026211159 HYGHRFSECZVBOZ-SNVBAGLBSA-N 526.846 6.859 50 10 KKGE Cc1sc(Br)c([C@H](Br)c2c(Br)sc(Br)c2Br)c1C 2039502878 LBYYCTNGNOGGGM-ZETCQYMHSA-N 602.831 7.961 50 10 KKGE O=C(COc1cccc2ccccc12)NN=CC1=C(N2CCOCC2)C(=Cc2ccc(Cl)cc2)CC1 2053623112 FXEMOPKXJQOCFV-UHFFFAOYSA-N 502.014 5.438 50 10 KKGE FC1(F)CC2(C[C@@H]2[C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2069067404 DHYIUFXZKVEUPF-INEUFUBQSA-N 529.864 6.907 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2ccccc2I)c1Br 2083338039 LTPCYLVEDTVEEY-CQSZACIVSA-N 544.850 6.609 50 10 KKGE CCCC[C@H](C)[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493454 CCDKIAKQQIKFDW-CPCISQLKSA-N 570.783 7.999 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@H]2C[C@@H]21 2085494866 OACXRLAIHJSMKI-KFQKYZFCSA-N 522.300 7.063 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@@]2([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2201879293 NECFWJVZCYUKMJ-ZKQGETEISA-N 571.976 5.687 50 10 KKGE FC1(F)CCC[C@H]1C[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395119 LSYUFCUWVLTGGD-RCOVLWMOSA-N 560.296 7.842 50 10 KKGE Cc1ccc([C@H](Cl)c2cc(Br)ccc2Br)cc1I 2217860808 KLFBGOBRGJWLQO-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2ccc(I)c(Br)c2)c(C)c1Cl 2232514850 XEDUWIGWGRLNTG-OAHLLOKOSA-N 548.871 7.415 50 10 KKGE C[C@@H]([C@H]1CCN(Cc2ccccc2)C1)n1c(CCl)nc2cc(Br)c(Br)cc21 2234063048 CCRQGYVARCWMQP-HOCLYGCPSA-N 511.689 6.383 50 10 KKGE CCCCCOc1ccc(C=C(C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC 2293202114 DVHFEXQWXYXJME-UHFFFAOYSA-N 540.483 6.620 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2294146983 PIQOMFLXCUYLLJ-UHFFFAOYSA-N 532.767 6.688 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCc1ccccc1 2313519057 ZIUFHEIWVCRJKA-UHFFFAOYSA-N 558.803 6.468 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Br)cc2)cc(I)c1OCc1ccc(Cl)cc1 2313521454 PHBUYMFGQUTRIC-UHFFFAOYSA-N 594.674 7.749 50 10 KKGE Cc1cccc(COc2c(I)cc(C=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2I)c1 2313567959 QMXKNAMSELWDLB-UHFFFAOYSA-N 689.335 6.039 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1 2314476074 IHHOTSHGAYEQKV-UHFFFAOYSA-N 586.739 5.607 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3F)c2)cc1 2314476515 PVUPAHPLGCZWCG-UHFFFAOYSA-N 549.627 6.904 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Cl)cc3Cl)C(=O)N2c2ccc(C)c(C)c2)c1 2314592434 TUXKSZALSMPDQA-VWLOTQADSA-N 536.484 6.984 50 10 KKGE Cc1ccc(C[C@@H]2SC(=C(C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 2314594089 YYCUWXRBZPABBE-DFHRPNOPSA-N 509.675 6.422 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1[N+](=O)[O-] 2314616502 CERAEORHBVBMEX-UHFFFAOYSA-N 537.576 5.381 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 2314619079 ZJXLKCXSBOCHKI-HHHXNRCGSA-N 550.659 5.654 50 10 KKGE Cc1ccc(COc2cccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)C=Cc5ccc(Cl)cc5)ccc43)c2)cc1 2314640777 XRYGJHGQFWVZJR-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C=Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccccc2Cl)c1 2314640797 ZZVDYDDMBTZNBW-WJOKGBTCSA-N 569.444 7.409 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643261 MFJYOYLOWAFSFO-MGBGTMOVSA-N 613.497 7.808 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1 2314646737 LQUNLPPNHYDQQE-HHHXNRCGSA-N 620.756 5.568 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3Cl)c2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646942 VOCQDBSOMHCHKA-WJOKGBTCSA-N 701.204 6.688 50 10 KKGE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN=Cc1ccc(OCc2ccccc2Cl)cc1 2328796749 GDRLKRHUNABYEX-VWLOTQADSA-N 508.018 5.505 50 10 KKGE COc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1F 2331336961 NGEJOFVKOGIKIX-UHFFFAOYSA-N 518.997 7.696 50 10 KKGE N#CC(=C(O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)c1nc(-c2cccc3ccccc23)cs1 2331339350 ALLYPRXCDIOMMW-UHFFFAOYSA-N 517.541 6.853 50 10 KKGE Brc1cc(Br)cc(C[C@H](Br)c2ccc(OCc3ccccc3)cc2Br)c1 2336073111 SDKNRDULVDOAFX-FQEVSTJZSA-N 603.974 8.232 50 10 KKGE Clc1cc(Br)c(COc2c(Br)cc(Br)cc2CBr)s1 2345964749 YMRHJJWWKWXAIP-UHFFFAOYSA-N 554.323 7.163 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Br)cc2Cl)c1Br 2362220291 IDBMRESXLJILOK-NSHDSACASA-N 570.703 7.904 50 10 KKGE COc1c(Br)cc(C)c([C@H](Cl)c2sc(C)cc2Br)c1Br 2365229867 FAGCKZXGUCVZDB-LBPRGKRZSA-N 503.481 6.989 50 10 KKGE Brc1cc2c(cc1[C@H](Br)c1scc(Br)c1Br)CCCO2 2369616806 VCQAEDXXHKFMNJ-LBPRGKRZSA-N 545.916 6.845 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@@H](Br)c1ccccc1I 2380948058 YFRXPFWNKRFFHK-KRWDZBQOSA-N 508.035 6.970 50 10 KKGE O=C(NNC(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccc(Cl)cc1Cl 14665525 RUGNGOHACHGGEE-UHFFFAOYSA-N 508.199 5.452 50 10 KKGE O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cl)c1ccccc1 35729310 RXCLSIGWZGHOQT-SFTDATJTSA-N 511.434 5.505 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)c1 40529988 LORUKWIKEIUQJW-MUUNZHRXSA-N 518.997 6.112 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C)cc2Br)ccc1OCc1ccc(Cl)cc1 40911116 AIROAGLAVKTRLD-UVHMKAGCSA-N 517.807 5.528 50 10 KKGE CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OCc1ccc(Cl)cc1 48573047 GEEXXDHFSFACKK-JFLMPSFJSA-N 501.808 6.234 50 10 KKGE CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 59484000 GQWGDUOUBQIURP-XNTDXEJSSA-N 510.759 5.678 50 10 KKGE CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)cc1 100212189 DEZZZNWCICYZJO-UHFFFAOYSA-N 538.442 5.274 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 100236437 CVRIRVUWMPTBFS-ABZYITTCSA-N 545.861 6.044 50 10 KKGE Cc1ccc(O)c(C(=O)[C@@H](Br)[C@H](Br)c2cc(Br)cc3c2OCCO3)c1 100487732 JSWCUROPOOPIIT-CVEARBPZSA-N 535.026 5.317 50 10 KKGE CCOc1cc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1 100869671 NEZOMCZRBJJBFF-UZWMFBFFSA-N 536.028 5.398 50 10 KKGE Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)CC[C@@]3(C)C1(C)C 100945910 MOXQUQLJUOYDKG-KAYWLYCHSA-N 527.452 5.109 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 101244607 HPGUFRLYWVQSLI-HVBJHMBASA-N 524.429 6.067 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1F 101341329 BRCQGJLJWAZWSX-YZSQISJMSA-N 570.621 5.403 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(OCc2ccccc2)cc1 101362333 VQSVEEBNKATKJM-NDEPHWFRSA-N 553.412 6.465 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCC)ccc32)cc1OCC 101374769 STAKQMDEUXVWSO-HKBQPEDESA-N 556.659 6.880 50 10 KKGE Cc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2F)cc1 101380248 DKOZDDUXRGPZQH-HKBQPEDESA-N 536.559 5.916 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)ccc1OCc1ccc(F)cc1 101399549 SQRJIVBHKPILKE-JGCGQSQUSA-N 625.052 7.867 50 10 KKGE Cc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)Oc3ccc(Br)c4cccnc34)c(C)c21 101594134 HAWKPNXJRRZGDU-TWKHWXDSSA-N 532.394 5.897 50 10 KKGE CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OC(C)(C)C)c1C 102924590 DWTBDXWJTSUTLQ-GHRIWEEISA-N 525.652 6.297 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)N2c2ccc(Br)cc2)cc1 103741569 NSQYQGBAHIFWQK-CTHAODRQSA-N 587.326 7.129 50 10 KKGE Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)cc1 103877110 BNYMMWXHPQQSFZ-IPPBACCNSA-N 529.394 5.861 50 10 KKGE CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118921162 YWOCDRCHNHTNKI-VTVUIIHSSA-N 567.836 10.237 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)s2)sc1Br 128253413 PDQOSPNTNFXIRF-MRVPVSSYSA-N 509.908 6.890 50 10 KKGE O=C(COc1ccc2cc(Br)ccc2c1Br)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1 150387638 NYVYQGFEZIQTCL-UHFFFAOYSA-N 627.358 5.598 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@H](C)C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 150485807 GKZBFLIZOMLVEE-OIYLMVCLSA-N 738.690 8.114 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCc4c(Cl)cccc4Cl)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 150485812 GKZBFLIZOMLVEE-YONBZWLFSA-N 738.690 8.114 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 150497391 TXCGJRPWGDPLND-QXUDOOCXSA-N 689.599 8.269 50 10 KKGE Brc1cccc2c([C@@H](Br)c3ccc(I)cc3)csc12 163398019 TZPYLQCJZAEFEA-AWEZNQCLSA-N 508.016 6.753 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 214278307 OBZSKWQTRDGURC-GTWSWNCMSA-N 570.693 7.065 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C2=O)cc1OC 214368802 YSKZNMMLOMFXBH-JDCMOKTRSA-N 630.745 6.816 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2cc(Br)cc(Br)c2OC)cc1 252620562 MGWRSCACCTZQIH-NSXNTOCMSA-N 628.365 5.988 50 10 KKGE Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccc(F)cc2)n1-c1ccccc1 252633676 WFNDGNFSVWMAJA-SFHVURJKSA-N 523.037 5.611 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498400 YWOCDRCHNHTNKI-UOQDHYJASA-N 567.836 10.237 50 10 KKGE biogenic CCCCC[C@@H](Cl)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253530174 KPKQRYXDKNVKBO-HOWUGLBCSA-N 533.281 10.127 50 10 KKGE biogenic C/C(C=NNC(=O)CNc1cccc(C)c1)=C/c1ccc(/C=C(\C)C=NNC(=O)CNc2cccc(C)c2)cc1 254492221 FWRQXFYCCMOZEG-PJVNDKBWSA-N 536.680 5.538 50 10 KKGE FC(F)(F)c1ccc(Cl)c([C@H](Br)c2cc(Br)c(Br)s2)c1 695013144 GZYSAIXSMOPSLN-JTQLQIEISA-N 513.398 7.430 50 10 KKGE Brc1cc2c(c([C@@H](Br)c3ccc(I)c(Br)c3)c1)OCC2 721589755 UVHLTWCEILBFSG-AWEZNQCLSA-N 572.860 6.235 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccc(Cl)cc1 725394421 NVDSEXQNCYZALE-UHFFFAOYSA-N 526.084 5.834 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccc(Br)cc1 725447929 ZQDDWHRTPTVESW-WQRHYEAKSA-N 590.699 7.388 50 10 KKGE COc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1083929479 FESAUSZBMCQXKQ-UHFFFAOYSA-N 671.013 6.653 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c(C)n1-c1cc(Cl)ccc1Cl 1083934019 XMHXFSPBYGBNSI-UHFFFAOYSA-N 572.312 5.080 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12 1084106243 BDZFQDZFACOEDA-AREMUKBSSA-N 517.423 6.145 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCc1ccc(Cl)cc1 1084106302 QGZRGDVONWZMKB-CIAFOILYSA-N 586.857 7.085 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 1084227976 OAODCCLZGXLFFB-UHFFFAOYSA-N 524.964 7.038 50 10 KKGE COc1ccc(N(CC(=O)NN=C(C)c2cccc(NC(=O)c3ccccc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 1084298129 NNMNONHOFQEVIB-UHFFFAOYSA-N 600.697 5.000 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCc1ccc(Cl)cc1 1084387933 RSMUCTBVKCLVGE-YBFXNURJSA-N 558.803 6.386 50 10 KKGE O=C(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 1084431051 SYZZEIMJWRIGAM-UHFFFAOYSA-N 505.401 6.915 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Br)c2)cc1 1084618042 OBKXFLHHNPRYIE-UHFFFAOYSA-N 677.824 8.974 50 10 KKGE CCOc1cc(C=NNC(=O)CCCCC(=O)NN=Cc2ccc(OC(=O)c3ccc(OC)c(OC)c3)c(OCC)c2)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719760 SYTXRWGBAVSQRQ-UHFFFAOYSA-N 798.846 6.118 50 10 KKGE Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)COc2ccccc2)CCC3)c(Br)c1 1772749477 LWVWHPNLKVVPJN-UHFFFAOYSA-N 510.388 5.147 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2cc(C)ccc2C)cc1OCC 1865688963 GGTOJUDVOILXTR-QFIPXVFZSA-N 512.532 5.583 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)cc1OCC 1865690842 CNDPXTSJZHOJNI-AREMUKBSSA-N 525.024 6.218 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1OCC 1865691290 OOQRVDRDNVDLCR-DEOSSOPVSA-N 534.538 6.450 50 10 KKGE CCCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1OC 1865693357 VEFUTQHMGVURQY-HXUWFJFHSA-N 509.404 5.255 50 10 KKGE CCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2cccc(Cl)c2)cc1OC 1865695565 DWDIAJYEMPLCCP-NDEPHWFRSA-N 555.078 7.379 50 10 KKGE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(OCCCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865697598 XPRKILXRYNDBSO-PMERELPUSA-N 534.660 6.041 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1865700932 HVKPTGLSRZSEGU-RUZDIDTESA-N 547.442 6.683 50 10 KKGE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 1865701609 ZJCSHSZVWLLDHK-SANMLTNESA-N 575.894 7.038 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1C(=O)O 1865703817 GGQFSKOCJWZKGF-OAQYLSRUSA-N 503.345 5.762 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704042 LHPARYSXHMKDNW-HSZRJFAPSA-N 571.386 7.054 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704096 NCUPIFRKFSZGPN-MGBGTMOVSA-N 534.619 7.284 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865704701 CEIWTUKDGDVXGP-VWLOTQADSA-N 552.512 6.482 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865705472 WQIVMIRKWIZSBG-AREMUKBSSA-N 527.024 6.266 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 1865705556 ZADCTXCSWBGBTH-PMERELPUSA-N 568.633 6.353 50 10 KKGE COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1OC 1865710943 MCHIZAVSZOKENE-XMMPIXPASA-N 514.969 5.437 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2 1865712114 PUABIXYJNIUAHB-AREMUKBSSA-N 531.443 6.929 50 10 KKGE Cc1nc(-c2ccc(Cl)cc2Cl)ccc1C(=O)NNC(=O)CC(c1ccccc1)c1ccccc1 1865759651 KYVGEJYQKJWLKF-UHFFFAOYSA-N 504.417 6.347 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866980748 RFTRPXDZDNYUQZ-SXOMAYOGSA-N 533.719 6.065 50 10 KKGE CCc1ccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)cc1 1867178284 LVWPWXZWIFKFLG-JOCHJYFZSA-N 508.669 5.205 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CC(=O)N3CC(C)(C)c4ccccc4[C@H]3C2)n1 1868341969 GFWWSLCSHZUAAP-HSZRJFAPSA-N 512.683 5.772 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@@H]3c3nc4ccccc4s3)n2)c1 1868505531 HNVJMPFAHOKCCQ-XMMPIXPASA-N 536.686 7.420 50 10 KKGE COc1cc(OC)c(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)cc1Cl 1872793740 QKMBLEUUFFCJHJ-YBFXNURJSA-N 523.441 7.777 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(F)cc5F)cs4)cc3C2=O)c1 1872818034 KCDFGTKZMPJPTL-DAFNUICNSA-N 513.525 6.456 50 10 KKGE BrC[C@@H](C1CC1)N(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1904343313 HIDNTYWJQLGMBC-IBGZPJMESA-N 549.088 6.229 50 10 KKGE Clc1ccc(C[C@H](Br)c2ccc(I)c(Br)c2)nc1 1918235797 IHCHJGKPXLNGGL-NSHDSACASA-N 501.387 5.781 50 10 KKGE Fc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)c(F)c(F)c1F 1924570345 IKNFAHIPITUBGF-RXMQYKEDSA-N 561.812 7.076 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Br)cc1Br 1924595126 UVIDVNDNMKLTSU-VIFPVBQESA-N 582.775 7.591 50 10 KKGE Cc1cc(C=C(C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1ccc(Br)cc1 2042434737 ZDBGDURNQJFOHR-UHFFFAOYSA-N 529.442 5.338 50 10 KKGE C[C@]1(C(F)(F)F)C[C@@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 2043568398 BZPXRHXESHUGKS-VBMFSKJDSA-N 535.843 7.060 50 10 KKGE O=C(N[C@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@@H]1NC(=O)c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 2049399360 BEKZNCOFLFMFHP-UYATXGGZSA-N 812.890 8.391 50 10 KKGE Cc1c([C@H](Cl)c2c(Br)sc(Br)c2Br)c(Br)nn1C 2067854640 HTESHKNMONOTRK-ZETCQYMHSA-N 542.316 6.168 50 10 KKGE C[C@H](c1cccc2c1Oc1c(P(c3ccccc3)c3ccccc3)cccc1C2(C)C)N(C)[S@@](=O)C(C)(C)C 2080764531 XEDQKICLGCSFKO-HRDYMXONSA-N 555.724 7.331 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2csc(Br)c2Br)c1Br 2083337134 GZFJOEPSAJAHOI-NSHDSACASA-N 538.324 7.435 50 10 KKGE Cc1nn(-c2ccccc2)c(N(CCN(C)Cc2ccccc2)Cc2ccccc2)c1CBr 2095883859 SHSUUKOXJBRCQP-UHFFFAOYSA-N 503.488 6.214 50 10 KKGE Cc1cc([C@H](Br)c2c(C)c(Br)cc(C)c2Br)oc1Br 2136374211 KAGGIJXAYNJCND-ZDUSSCGKSA-N 515.865 6.977 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)sc1Br 2139004623 XDINHMKRPAXZGX-LLVKDONJSA-N 533.905 6.837 50 10 KKGE COc1c(C)cc(Br)cc1[C@H](Br)c1cc(Br)c(Br)s1 2141658690 CIFWKJMMXKPVJH-NSHDSACASA-N 533.905 6.837 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2ccsc2S(C)(=O)=O)cc1Br 2150545013 IXMNLOSTYSMMJC-GFCCVEGCSA-N 503.075 5.469 50 10 KKGE Fc1cc(Br)c(Br)cc1[C@H](Br)c1cc(Br)cs1 2213490312 QIYMOUAPJXPTPU-NSHDSACASA-N 507.842 6.659 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)cs2)c(Cl)c1Cl 2217607552 FAYKPDSXPBRCDT-VIFPVBQESA-N 514.291 7.718 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Cl)cccc2Cl)c(C)c1Br 2235603560 JWKYZERRRZWBHJ-HNNXBMFYSA-N 501.871 7.620 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Cl)c(C)c1Br 2235607161 YKDUYNNDOYJAAY-AWEZNQCLSA-N 501.871 7.620 50 10 KKGE Cn1nc([C@@H](Br)c2cc3sc(Br)cc3s2)c(Br)c1Cl 2278088084 BEOMXMOERRYOOT-QMMMGPOBSA-N 505.482 6.359 50 10 KKGE N#CC(=Cc1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 2293189928 WQMXXNJRJXLXKC-UHFFFAOYSA-N 524.827 6.955 50 10 KKGE N#CC(=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)Nc1ccc(F)cc1 2294171915 JBSYWZQEVPFFFR-UHFFFAOYSA-N 668.200 5.858 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2295459754 UTLMMIFQNMMJFZ-UHFFFAOYSA-N 501.797 7.170 50 10 KKGE N#CC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2296834363 BNPLJXGVCNHCHD-QFIPXVFZSA-N 573.299 6.821 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 2297326956 MYBJRGCESBZLNY-UHFFFAOYSA-N 509.400 6.700 50 10 KKGE Clc1cc(I)c([C@@H](Br)c2cc(Br)ccc2Br)s1 2300953741 NRGYJBLORIWENQ-JTQLQIEISA-N 571.297 7.015 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1C#N 2313511173 RNAIJJKUTIHAMO-UHFFFAOYSA-N 516.395 6.071 50 10 KKGE CCOc1ccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 2313553219 UGHCVHMGQQQISP-UHFFFAOYSA-N 521.367 5.671 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1cccc(F)c1 2313568529 WLPSLKWBHDYMOQ-UHFFFAOYSA-N 525.624 5.788 50 10 KKGE Cc1ccc(NC(=O)C(C#N)=Cc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 2313570806 GPCPOGADKUXHPB-UHFFFAOYSA-N 526.228 6.645 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 2313571150 OMCMFDKZSTXPIG-UHFFFAOYSA-N 611.150 8.916 50 10 KKGE Fc1cccc(I)c1[C@@H](Cl)c1cc(Br)ccc1OCc1ccccc1 2314498206 ROQKPOUFWYBJTF-FQEVSTJZSA-N 531.590 7.100 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 2314592920 DPORNIZGLHNIBH-AFMDSPMNSA-N 550.511 6.914 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(C(C)(C)C)cc4)ccc32)cc1OC 2314634662 UQNUUVCJFJOPEA-YTTGMZPUSA-N 552.671 7.009 50 10 KKGE N#CC1=C(c2ccccc2)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N([C@@H]2CCS(=O)(=O)C2)C1=O 2314646548 BFABMOATQOOCLV-PGUFJCEWSA-N 716.819 7.188 50 10 KKGE COc1sc([C@H](Br)c2c(Br)c(Br)nn2C)cc1Br 2316709582 MXUHUMZWAMACDB-LURJTMIESA-N 523.870 5.262 50 10 KKGE CCOC(=O)c1ccc(N2C[C@H](C(O)=C(C#N)c3nc(-c4cc(C)cc(C)c4OC)cs3)CC2=O)cc1 2331373130 CHFOPUPGJTVCJG-LJQANCHMSA-N 517.607 5.458 50 10 KKGE COc1ccc(C[C@@H](Br)c2cc(Br)sc2Br)c(Br)c1 2338832030 VJRPAGPMTNUYGC-LLVKDONJSA-N 533.905 6.723 50 10 KKGE Cc1cc(Br)cc([C@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360426582 MYKOEJAZWKEHCD-LBPRGKRZSA-N 505.834 7.450 50 10 KKGE CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC[C@H](O)/C=C/C=O 8437606 LQATVQHXAXOSAU-MMBFNGTLSA-O 650.811 6.049 50 10 KKGE in-vitro COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(CN4CCOCC4)c(C)cc3C)C3=C2CC(C)(C)CC3=O)cc1 20344616 HIVCWTGOILXUNA-LJAQVGFWSA-N 526.681 5.085 50 10 KKGE CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 20572885 SQVULWNHKLXSEP-AKLYFZKISA-N 517.423 6.489 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCC(C)C)cc4)ccc32)c1 38659865 UEKAZLPNPUMPFO-HHHXNRCGSA-N 500.551 5.176 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4F)ccc32)ccc1OCc1ccccc1 38660035 KFWAWSRTZZCEGY-GDLZYMKVSA-N 522.532 5.851 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)cc(C)c4)ccc32)cc1OCC 38683914 QNIUCOOTDLVZGN-PMERELPUSA-N 528.605 5.694 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1OCC 38684288 NSJWPKBMCXNWEE-LJAQVGFWSA-N 512.606 6.400 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(Cl)cc5c4C)ccc32)c1 38687333 TWGBCVZTNHNAMH-VWLOTQADSA-N 500.938 6.149 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1 59117274 QIVPCTFDNOXROM-UYRXBGFRSA-N 511.803 6.626 50 10 KKGE C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1I 100145984 JIPIAAAIASIMNQ-OQLLNIDSSA-N 570.168 5.315 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br 100172569 YYLYNEXYTZQHSU-UHFFFAOYSA-N 538.870 5.550 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccccc3)cc2Br)cc1 100233746 IBFDNEUIKLMNAQ-NYFJFQCHSA-N 555.469 5.789 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 100327248 ZIUVSTFMANGFEU-WHXCVRPHSA-N 531.834 5.654 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 100453087 KXUVLRRVDMHTIV-OADPBGPJSA-N 583.253 6.141 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 101245699 SYZGROJFFMZZNB-IDJUBOEBSA-N 501.583 5.598 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc1OC 101307282 QXAQOMZQHJBZMC-VWLOTQADSA-N 553.398 6.013 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3cccnc3)C(=O)C(C#N)=C2C)cc1 101336433 BWNYFQIALIDLAQ-OGLMXYFKSA-N 529.600 5.516 50 10 KKGE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(C)cc1 101340373 QERGDRQGDLSNIY-MTDXEUNCSA-N 536.628 5.816 50 10 KKGE Cc1cc(C)cc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)c1 101362558 CYQCZOUWJOLQCY-JGCGQSQUSA-N 532.596 6.085 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)cc1OC 101366937 YMUJRTHVNIGINC-SANMLTNESA-N 551.393 5.059 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1 101367287 NGJSAMURJXCEEQ-HKBQPEDESA-N 552.558 5.616 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OC 101368066 CNDJASDTNPWOBN-SLQAJWMNSA-N 546.595 5.994 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)cc1OCC 101374590 SMTLRUSFJRREMN-WJOKGBTCSA-N 542.632 6.165 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OCCCC)ccc32)cc1 101378121 KVODGKICVMNVKC-YTTGMZPUSA-N 554.687 7.652 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379252 FTDHTBAPJVNWEJ-MGBGTMOVSA-N 595.095 7.419 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6c(C)c(C)ccc6c5C)ccc43)cc2)cc1 101397494 RMEYTDPQHHQBRJ-JGCGQSQUSA-N 570.645 7.683 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 101398779 YTQNDNKBJRAZSG-XZWHSSHBSA-N 550.542 5.368 50 10 KKGE CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)c2-c2ccccc2)cc1 101710511 UCCYKKNDUOPYPY-WMMMYUQOSA-N 581.672 7.932 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1ccc(Cl)cc1 101727150 VBKFTNXJUWVTLF-AMVVHIIESA-N 616.990 7.446 50 10 KKGE N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1\S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 102665940 JPLMSLWARUIZFR-SCIJIFGBSA-N 538.854 6.167 50 10 KKGE O=C(NC1CCCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)CCCBr 102779415 LUWIVAQHGUBHCB-VWLOTQADSA-N 537.901 6.563 50 10 KKGE O=C(/C=C\c1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 102995353 ZDUUUKIVZIUQED-OIXVIMQBSA-N 569.264 5.031 50 10 KKGE COc1ccc(N2CCN(c3ccc(NC(=O)C(C)(C)CCl)cc3S(=O)(=O)N[C@H](C)c3ccccc3)CC2)cc1 103175250 IENGHKSUYCCWBO-JOCHJYFZSA-N 585.170 5.265 50 10 KKGE O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 103870574 AZIREXICMYQSQE-LSHDLFTRSA-N 529.641 6.765 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)ccc32)ccc1OCc1ccccc1 150461665 ICWAZJUQEHDYBI-VWLOTQADSA-N 706.793 8.744 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCCC(C)C)c(OCC)c2)cc1Cl 150477957 MJIAMBRHXDIJNS-HKBQPEDESA-N 639.576 8.433 50 10 KKGE COc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)cc(Br)c1OCc1c(Cl)cccc1Cl 150478827 CFCVRDCFJYUGMQ-PNQUVVCRSA-N 637.408 7.709 50 10 KKGE CCCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)C1=O 214239441 DOQCCRABKDHVCU-JLPGSUDCSA-N 539.592 5.629 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)cc1 214324638 DXHIUPFOKMBPQW-XPRKOMQSSA-N 524.646 5.423 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)ccc1C 214406449 CBWPFIBNQJLEPS-NTFVMDSBSA-N 516.576 6.088 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(Br)sc1Br 234828336 HTEPFEBDDLGWED-SNVBAGLBSA-N 554.323 7.182 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC(=O)c1ccccc1Cl 254379092 MGYDKAWDTFGKIF-UHFFFAOYSA-N 551.824 6.176 50 10 KKGE Cc1cccc(C(=O)Oc2ccc3ccccc3c2C=NNC(=O)c2ccc(OCc3ccccc3)cc2)c1 254528923 SIUFWKFABLHZMI-UHFFFAOYSA-N 514.581 6.710 50 10 KKGE CC(=NNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 254560417 SRXMNSOVVSRWKH-YADHBBJMSA-N 522.443 6.236 50 10 KKGE O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)NN=Cc1cccc(Br)c1 254701607 YYLBERWRYNIRJE-UHFFFAOYSA-N 571.504 6.038 50 10 KKGE CC(=NNC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 254756837 JQESHIZBMNPPHS-UHFFFAOYSA-N 505.199 6.162 50 10 KKGE CCOc1cc(C=NNC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 254900691 BNNBQYCZALMCAT-LJAQVGFWSA-N 556.684 5.946 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)cc1 725391621 SMAVHHWXOKLCJR-RUZDIDTESA-N 566.452 5.271 50 10 KKGE Cc1cc(C=NNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 725446844 SIFGQZVSPBUWQK-UHFFFAOYSA-N 631.585 7.560 50 10 KKGE COc1cc(C=NNC(=O)c2ccccc2Br)cc(I)c1OCc1ccccc1Cl 1084102500 DAFJBHWGUMFJFF-UHFFFAOYSA-N 599.650 6.059 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCc1ccccc1C#N 1084109876 VUIICYVLFLTVQZ-BUVRLJJBSA-N 557.448 5.164 50 10 KKGE Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=NNC(=O)COc4cccc5cccnc45)c3C)sc3c2CCCC3)cc1 1084125228 UVGJIIMLOXZIEA-UHFFFAOYSA-N 591.737 6.672 50 10 KKGE CCOc1ccc(C(=O)NN=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1084200713 SCRBWCSPZUWPLB-UHFFFAOYSA-N 564.807 5.695 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc3ccccc3nc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 1084210820 NNRRVQIQHQPBNZ-UHFFFAOYSA-N 527.433 5.196 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=Cc3ccc(OC)c(OC)c3)cc2)c2ccc(C)cc2)cc1Br 1084241041 MRWIYAIMCCREES-UHFFFAOYSA-N 652.567 5.943 50 10 KKGE Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2I)cc1 1084248002 RJXHDKLYLBBGOV-WOJGMQOQSA-N 563.222 7.031 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 1084377240 KSXUNNSIVAXMEF-WJOKGBTCSA-N 560.094 6.689 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 1084413481 FGBIVMUGRYGHOX-UHFFFAOYSA-N 687.388 8.019 50 10 KKGE O=C(NN=Cc1cc(I)c(OCc2cccc(F)c2)c(I)c1)c1cc2ccccc2o1 1084414260 PHNAALJQZHOOJH-UHFFFAOYSA-N 640.190 6.124 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)NN=Cc1cc(Br)c(O)c(Br)c1 1084493056 ODPQZEMBKBQZNX-UHFFFAOYSA-N 564.324 6.793 50 10 KKGE O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=Cc1ccc(OCc2ccc3ccccc3c2)cc1 1084506947 XKDCQUCCCJQJND-UHFFFAOYSA-N 584.097 6.418 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1)c1cccc2ccccc12 1084630960 QIHUUDLXCKLFHY-UHFFFAOYSA-N 629.679 7.073 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](SC(=O)[C@@H](Br)C(C)C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565538095 RHVUWCOPIAXOFJ-VLHMXLEOSA-N 565.746 10.076 50 10 KKGE CN(C(=O)c1ccc(F)cc1)[C@@H]1Cc2cc(F)ccc2/C1=N/NC(=O)N(C(=O)OC1CCCC1)c1ccc(OC(F)(F)F)cc1 1614325688 QFPMUZBQTHRYSQ-JFLWFHGJSA-N 630.570 6.560 50 10 KKGE N=C(NOC(=O)CCl)c1cc(Br)c(OCc2c(F)cccc2Cl)c(Br)c1 1614950667 IIQRHOSMHUMMIA-UHFFFAOYSA-N 528.987 5.195 50 10 KKGE C/C(=N\NC(=O)[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccc(C)cc1 1615525903 HHOSMAZFOWRETB-RKKRRZLPSA-N 806.967 8.290 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)ccc1O 1865681042 CWQQEZLATOCCFT-KRWDZBQOSA-N 511.287 5.520 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(F)cc2)ccc1O 1865681466 NXKQZTVKKYRRIE-RUZDIDTESA-N 512.541 5.069 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCC)c(OCC)c1)C(C#N)=C(N)O2 1865689654 VRAUWSOZISRYSI-HSZRJFAPSA-N 513.425 6.147 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2c(F)cccc2Cl)cc1 1865689901 GCMJFFMBQMCCFR-HXUWFJFHSA-N 520.914 6.140 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(OC)c1OC 1865693039 QUSKPUGOSAREAW-XMMPIXPASA-N 528.996 5.496 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(Br)cc2)cc1OC 1865694878 DORZYZBUZKQBEZ-DEOSSOPVSA-N 523.431 5.739 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2 1865696378 FGPARUXEPFFHBP-HSZRJFAPSA-N 513.425 5.815 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1cc(Br)ccc1F 1865702672 YWMZNXPKQRGRKL-NRFANRHFSA-N 521.777 6.312 50 10 KKGE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 1865704272 RODRBPMMQRGLPJ-PMERELPUSA-N 530.603 6.583 50 10 KKGE CCN(Cc1ccccc1)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2Cl)cc1 1865706770 FHUQHLIQDBBRAU-PMERELPUSA-N 558.085 7.437 50 10 KKGE CC(=O)Oc1ccc(C[C@@H](NC(=O)C[C@@H](c2ccc(C)cc2)C(C)C)C(=O)Nc2ccc(SC#N)cc2)cc1 1866731665 BKKLCSBXBBSZAJ-FQLXRVMXSA-N 543.689 5.989 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](NC(=O)c2cc(C3CC3)n3nc(-c4ccccc4)cc3n2)c2ccccc2)cc1 1867194681 FQGSNADIBLWKCQ-LJAQVGFWSA-N 544.640 5.957 50 10 KKGE CC1(C)CN2C(=O)CN(c3cc(Nc4ccc(SC#N)cc4)nc(Cc4ccccc4)n3)C[C@H]2c2ccccc21 1868207633 QAPPNVMEUAJAGY-MHZLTWQESA-N 546.700 6.065 50 10 KKGE COc1ccc([C@@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)cc1OC 1868434047 VUOBYIOJIPWZTA-ZCYQVOJMSA-N 574.106 6.833 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CC(C)(C)c4ccccc4[C@@H]3c3ccccc3)n2)c1 1868506056 PRIDITOPTWGTEY-XIFFEERXSA-N 569.734 8.356 50 10 KKGE COc1cccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCC[C@H]3Cc3ccc(Cl)cc3)n2)c1 1868506192 TVAZNZZFCQWBKU-DEOSSOPVSA-N 528.081 7.334 50 10 KKGE CC1(C)COC[C@H](Cc2ccccc2)N1c1cc(Nc2ccc(SC#N)cc2)nc(-c2cccnc2)n1 1868566329 XDOZAAGAMXMPCM-DEOSSOPVSA-N 508.651 6.082 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccc(C)c(C)c5)cs4)cc3C2=O)c1 1872756031 ATQCSTQHZCMQFU-PNHLSOANSA-N 505.599 6.794 50 10 KKGE CC(C)c1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 1872791871 VFLXPAYKKUCPPQ-YDZHTSKRSA-N 505.470 8.883 50 10 KKGE Cc1nsc(Br)c1[C@@H](Br)c1cc(I)cc2c1OCC2 1912977321 XZPXEYIXVJUNNA-NSHDSACASA-N 515.008 5.238 50 10 KKGE O=C(c1cccc(F)c1I)N(Cc1ccccc1)[C@@H](CBr)C1CC1 1915272174 MHZAYIRFJMKHHD-KRWDZBQOSA-N 502.165 5.246 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc(Br)cc(Br)c1 1923065774 HHTZBCUYSQWZQO-QMMMGPOBSA-N 603.193 7.936 50 10 KKGE Cc1nsc(Br)c1[C@H](Br)c1c(Br)sc(Br)c1Br 1924568954 NVBREXRLMUQYPE-YFKPBYRVSA-N 589.792 7.047 50 10 KKGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CCBr)s1)Cc1ccccc1 1984647199 WAURFGMGIHNHCS-UHFFFAOYSA-N 507.519 5.008 50 10 KKGE Clc1nc(Cl)n(-c2cc(I)ccc2Br)c1CBr 2006647704 KHHNGDZOLAYPPT-UHFFFAOYSA-N 510.782 5.441 50 10 KKGE Clc1cccc(Br)c1[C@H](Br)c1cc(Br)ccc1Br 2050311994 ACCVJBMGTSHSOM-CYBMUJFWSA-N 518.268 7.112 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(C2CC2)c(Br)s1 2094666931 SUJKFOFRQHKJIN-CYBMUJFWSA-N 532.466 7.083 50 10 KKGE Cn1ncc2cc([C@H](Cl)c3c(Br)sc(Br)c3Br)sc21 2118612342 XBVCPWQJJBIKBH-QMMMGPOBSA-N 505.482 6.312 50 10 KKGE Brc1cc([C@@H](Br)c2cc(I)sn2)cc2c1OCCC2 2120030625 DFJSZJZSFJEMJR-GFCCVEGCSA-N 515.008 5.320 50 10 KKGE Fc1cc(CCl)cnc1Oc1c(I)cc(Cl)cc1I 2126874771 TURRKHHNYIRGDN-UHFFFAOYSA-N 523.898 5.614 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2ccc(F)cc2I)c1Br 2138849346 IYHNKKPGBYGODD-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE COc1c(Br)cc(C)cc1[C@@H](Br)c1cc(Br)c(Br)s1 2139004814 ZDQSLGVKFZRTSQ-LLVKDONJSA-N 533.905 6.837 50 10 KKGE BrC[C@H](Cc1ccccc1Br)Cc1ccc(Br)cc1Br 2148682560 OFSJAGUNEXKPTR-LLVKDONJSA-N 525.904 6.770 50 10 KKGE Clc1c(Br)ccc(CBr)c1N1CC[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 2154367810 XMDSXEACYMKXDZ-HKUYNNGSSA-N 512.717 6.346 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Cl)C[C@@H]1Oc1c(I)cc(Cl)cc1I 2165550919 GOTHUZZOSFJLRN-TVYUQYBPSA-N 540.994 5.349 50 10 KKGE Fc1ccc(CO[C@@H](CI)c2cccc(Br)c2)c(Br)c1 2206271145 YSHLBWPTWHWWHZ-HNNXBMFYSA-N 513.970 6.044 50 10 KKGE FC1(F)[C@@H]2CC[C@H]([C@H](Cl)c3c(Br)c(Br)cc(Br)c3Br)[C@@H]21 2206394730 IWOYEFILMLIAEP-JQLLAWCWSA-N 558.280 7.308 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206396554 YGSWIORDKOLBQG-NSHDSACASA-N 676.060 8.637 50 10 KKGE Cc1cc([C@H](Br)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 2207106641 YISDCIJSPKCFGP-NSHDSACASA-N 524.838 7.698 50 10 KKGE CCN(CC)C[C@H](Br)Cc1sc(Br)c(Br)c1Br 2216389837 ASDGLACAUHOFCT-SSDOTTSWSA-N 512.931 5.683 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@H]1CCC12CCC2 2266132908 ISJGPDHKUIBELT-UHLUBPPHSA-N 536.327 7.597 50 10 KKGE COc1cc(F)c([C@@H](Br)c2c(F)cccc2I)cc1Br 2282895996 DHVLSVHMKPAASR-CQSZACIVSA-N 517.933 5.825 50 10 KKGE COc1c([C@@H](Br)c2sccc2I)cc(Br)c2c1CCC2 2284518952 SATZHSVGYHMUMT-CYBMUJFWSA-N 528.047 6.097 50 10 KKGE N#CC(C(=O)Nc1ccc(Br)cc1)=C1S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2293198282 PZXGELVBTPGRRK-QFIPXVFZSA-N 540.389 5.792 50 10 KKGE Cc1ccc(CBr)cc1NC(=O)c1ccc(Br)cc1I 2296120454 HMNNDESWXBXNIU-UHFFFAOYSA-N 508.979 5.509 50 10 KKGE CCCCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)Nc3sc4c(c3C(=O)OCC)CC[C@@H](C)C4)o2)cc1 2296500327 HMWCPKXBXOBBCJ-LJQANCHMSA-N 560.672 6.812 50 10 KKGE Cc1cccc(C)c1NC(=O)C(C#N)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2296507007 PCGMZCLUVBLMAA-QHCPKHFHSA-N 522.457 6.675 50 10 KKGE N#CC(C(=O)Nc1ccc(F)cc1)=C1S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 2296642497 SZYHYHXZJFIESH-QFIPXVFZSA-N 546.838 6.851 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2)cc(Br)c1O 2296647833 HTICVFYBVOHKGR-UHFFFAOYSA-N 579.495 5.321 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Br)cc3)c(Oc3ccc(Cl)cc3Cl)nc12 2296723183 SULGTTMWZJGNQF-UHFFFAOYSA-N 591.270 6.203 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Br)cc1 2297458653 QILXQJKNNNIWKP-HSZRJFAPSA-N 587.326 6.499 50 10 KKGE C=C(C)[C@H]1CC=C(C)C(=NNC(=O)CNc2cc(Br)c(Br)cc2Br)C1 2297710211 GIPRSKQETOLFGR-LBPRGKRZSA-N 534.090 5.791 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)[C@H]2C[C@H](Br)C2)c1Br 2300169348 XNRPPYBGWCWKKA-PJPYAQQDSA-N 514.252 6.614 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCc1ccc(C)cc1 2313568380 VJVZWCNVMPDKPW-UHFFFAOYSA-N 546.465 5.601 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)Cc2ccccc2I)c1 2314454027 BTHNTVVKYRHGFZ-LJQANCHMSA-N 572.078 7.311 50 10 KKGE N#CC(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2314489238 RACUQJFPKTUYEG-UHFFFAOYSA-N 516.538 6.833 50 10 KKGE CCOC(=O)c1ccc(NC(=O)C(C#N)=Cc2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 2314531536 CAQAIFJNOVJLOP-UHFFFAOYSA-N 536.588 5.507 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=Cc1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O 2314531727 DNRBKKFSDXJGSU-UHFFFAOYSA-N 505.361 5.956 50 10 KKGE COc1ccccc1NC(=O)C(C#N)=C1S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(C)c(C)c1 2314592124 MFWZKQJMXFYXNR-DEOSSOPVSA-N 552.483 6.684 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccc(C)c(C)c3)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593458 NDKRRIMDKUBSAI-IDISGSTGSA-N 511.647 5.616 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCCC)C(=O)C(C#N)=C2C)cc1 2314610608 KDIYAPCGTARXGS-UHFFFAOYSA-N 550.703 7.281 50 10 KKGE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)C(C)=C(C#N)C1=O 2314611043 PCXYUZOVDPGQQC-JOCHJYFZSA-N 577.084 7.162 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 2314619100 ZTANATDUGXYXRQ-UHFFFAOYSA-N 530.584 5.798 50 10 KKGE CCCCCCCOc1ccc(C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)cc1OCC 2314620013 JCWQXSYVFVIEDM-UHFFFAOYSA-N 504.602 6.366 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2314646583 DHVVTNWZAHJFSD-YTTGMZPUSA-N 731.230 6.697 50 10 KKGE CC(C)c1ccc(-c2csc3nc(SCC(=O)C(C#N)=C4Nc5ccccc5S4)nc(O)c23)cc1 2320729549 GQIFEXQSYSLDBD-UHFFFAOYSA-N 516.673 6.801 50 10 KKGE CCc1cccc(CC)c1N1C(=O)c2ccc(C(O)=C(C#N)c3nc(-c4ccccc4)cs3)cc2C1=O 2331301048 PJNDGRBOZXHBSH-UHFFFAOYSA-N 505.599 6.685 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2331445165 OBTFNFZXIPSOFN-UHFFFAOYSA-N 521.425 7.717 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3Cl)cs2)ccc1OCc1ccc(C)cc1 2331488718 RWMQVCIXLHJAEY-UHFFFAOYSA-N 521.469 8.467 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCCc1ccccc1 2331491697 DMZSACAXLCTWQB-UHFFFAOYSA-N 503.023 7.166 50 10 KKGE CCCN[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]1Br 2333303385 AUTANRWMKOGRQM-FRSIUCEKSA-N 583.782 6.561 50 10 KKGE Cc1nn(C)c(Br)c1[C@@H](Br)c1c(F)cc(Cl)c(Br)c1Cl 2360425727 FJRDYPFQQUBFJO-SNVBAGLBSA-N 509.826 6.184 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Cl)c1cc(Br)cc(Br)c1 2360494186 UITZMONNKCGGNX-GFCCVEGCSA-N 526.252 7.748 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 935229 SJCASVRFBODCGU-CHTIKVTKSA-N 502.039 5.434 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)sc(C)c1-c1ccc(Cl)cc1 1974880 RBAQBGOFFYSDAG-CPNJWEJPSA-N 525.026 6.507 50 10 KKGE Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(Br)c1 3101069 PREQOAQAYGOWRX-LGJNPRDNSA-N 546.215 5.268 50 10 KKGE O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccc(-c2ccccc2)cc1 14642108 PFRAWSWAIQNOLO-UHFFFAOYSA-N 501.380 5.623 50 10 KKGE CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(Cl)c4)ccc32)c1 38685257 HVWPZQFGTLDTED-HHHXNRCGSA-N 504.970 5.721 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C)cc2Br)ccc1OCc1ccccc1 40951228 MDPAUENCSRVYAU-OGLMXYFKSA-N 511.416 5.654 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1 58893278 MEQSWHWHOFMEAT-KZDKMLTBSA-N 516.638 5.755 50 10 KKGE C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4cc(Br)c(O)c(Br)c4)nc(O)c23)C1 97980666 BBZYSWDNSPWNLK-JTTRITNRSA-N 521.234 5.816 50 10 KKGE O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCCc2ccccc2)c(Br)c1 100212016 ZBVDBEZXXVDVTG-UHFFFAOYSA-N 529.434 5.664 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(OCC)c(OCc3ccc4c(c3)OCO4)cc2Br)cc1 100233568 BJXAHCOAXITGDQ-DNXMXBSFSA-N 599.478 5.518 50 10 KKGE C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 100238588 FFZXLGVYOQULHC-DLOXVRGRSA-N 560.647 5.454 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 100451756 DVCHEEAOWZSYBR-RJNBOEKGSA-N 546.259 5.755 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 101337524 GHBFGCOHJAPXSM-XLKFHUSGSA-N 529.556 5.801 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 101337780 ISYUFTJBGZKRDN-WWSKRGBXSA-N 556.666 6.988 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1Cl 101339961 JIUZGZWLXGPQAV-OGLMXYFKSA-N 593.083 6.783 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)cc1OC 101368126 PVFXUBIDPBYVBP-HKBQPEDESA-N 556.659 6.880 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101373904 VQFVNDWONNWVNI-HHHXNRCGSA-N 553.442 7.008 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1 101376059 YLLJNJUVZMTLPB-SANMLTNESA-N 533.422 6.311 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3ccc(Cl)cc3)ccc2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 101383507 HOBQCYQILVLXPX-SSEXGKCCSA-N 557.433 6.939 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 101386429 WHHCZXIXLOQHJE-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 101388234 INKDBLVUCJBATC-XIFFEERXSA-N 611.094 7.544 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)c(Cl)c2)cc1Cl 101392084 ATZFZUNSDGITHS-XMMPIXPASA-N 578.279 7.916 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101394253 REVXFKZYUPQSRQ-LJAQVGFWSA-N 538.600 6.538 50 10 KKGE CC(C)CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396336 JNSANDWWBPEOTG-RUZDIDTESA-N 579.505 8.070 50 10 KKGE CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Br)cc32)cc1 101647263 RMTZREIBRWQQAT-NUDFZHEQSA-N 610.980 7.262 50 10 KKGE Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(C(C)C)cc1Br 101713609 DZIMRYZFXHNUCU-IPPBACCNSA-N 574.313 6.752 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 102665370 LLXYTVQFALKQJK-WJDWOHSUSA-N 571.869 8.358 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 102667338 FSTUPNAWHGZBMT-KFRXSKPZSA-N 516.066 6.639 50 10 KKGE C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCc1ccc(Br)cc1 103796273 LBANAIFWZZXNOD-FJEPWZHXSA-N 598.291 7.038 50 10 KKGE N#C/C(C(=O)Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)=C1\Nc2ccccc2S1 103908178 ZLLMGNGAIZBNOT-QNGOZBTKSA-N 521.421 5.410 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 104996410 REERAEHGHDHTRN-YMTYUFJJSA-N 561.263 5.633 50 10 KKGE COc1cc(C)c(Br)cc1[C@H](Br)c1csc(I)c1 124445408 JRLHUORAKQSLED-CYBMUJFWSA-N 502.009 5.917 50 10 KKGE O=C(Nc1ccccc1)N1C[C@H](P(c2ccccc2)c2ccccc2)C[C@@H]1CP(c1ccccc1)c1ccccc1 140876637 AAYSIAJWYYFANM-QTQRRKOQSA-N 572.629 6.927 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccccc3)c2)cc1 150411121 RKKHEMVLNFTAFX-NWWSAKEYSA-N 696.785 6.044 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433060 CUMUFTWEUWXYBH-PGUFJCEWSA-N 659.566 8.297 50 10 KKGE O=C(N/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 164644377 XZHVUIKXHVOVLJ-IPBVOBEMSA-N 641.541 7.717 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1ccc(C(=O)O)cc1 164649874 WNDDHLHSHSCYHV-KVSWJAHQSA-N 649.235 5.850 50 10 KKGE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 196945083 AOXWVTIMEGOVNF-HEDHALDZSA-N 763.964 7.170 50 10 KKGE CC(C)N(CC[C@@H](c1ccccc1)c1cc(CO[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C)C(C)C 196953714 KHTAIVJFQGLEFQ-PMERELPUSA-N 570.023 10.233 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 205898362 DIMYHZDULFSWLS-NGKZUPQZSA-N 641.142 11.150 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC 214373324 GSOININHZJLNMA-XYGWBWBKSA-N 538.600 5.126 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 214426904 STNNBBOTWOSAHT-USHMODERSA-N 552.631 5.264 50 10 KKGE Clc1cc2c(c([C@@H](Br)c3cc(Br)ccc3I)c1)OCC2 236083981 ZZVALNWYLRTPHS-AWEZNQCLSA-N 528.409 6.126 50 10 KKGE Fc1cc(F)c([C@@H](Br)c2cc(I)ccc2Br)cc1F 236226263 DQFHCXUBPJFRNP-ZDUSSCGKSA-N 505.897 5.955 50 10 KKGE O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1C(=O)Oc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 252612214 IQIDESOZPZIFMU-UHFFFAOYSA-N 837.308 8.485 50 10 KKGE CCOc1ccc(Oc2c(C=NNC(=O)c3cc4c(s3)CC[C@H](C)C4)c(C)nn2-c2ccccc2)cc1 254736238 LOMQJDMADMCRIN-IBGZPJMESA-N 514.651 6.322 50 10 KKGE Cc1ccc2nc(-c3ccc(OCC(=O)NN=Cc4ccc([N+](=O)[O-])o4)cc3)cc(-c3ccccc3)c2c1 254749395 PGXCYEOLSPSHEP-UHFFFAOYSA-N 506.518 5.908 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(I)ccc2Br)c(C)cc1Br 300465772 ZUWUZAMYYYQDDB-OAHLLOKOSA-N 514.426 6.761 50 10 KKGE ClCc1ccnc(Oc2c(I)cc(Cl)cc2I)c1 385007103 VSUBZNCKNBNKCS-UHFFFAOYSA-N 505.908 5.475 50 10 KKGE Clc1ccc(I)c(CC(CBr)(CBr)C2CCCC2)c1 405304030 PGDBGRNJJSWIFW-UHFFFAOYSA-N 520.474 6.454 50 10 KKGE CN[C@H]1CC[C@H](O[C@H]2/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]3O[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@H]2C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]4C[C@](C)(O)[C@@H](O)[C@H](C)O4)[C@H](N(C)C)[C@H]2OC(C)=O)[C@H]3OC)O[C@@H]1C 575232381 MGIACLJTFQJLSW-MRVZGBDVSA-N 985.339 5.741 50 10 KKGE COc1ccc(O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](OCc3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)cc1 616626072 PSPADXNBRMVELS-KUSOBZMTSA-N 619.787 5.432 50 10 KKGE Brc1cc([C@H](Br)c2ccc3c(c2)CCCO3)ccc1I 721570880 BVYMAAZAWUKYLI-MRXNPFEDSA-N 507.991 5.863 50 10 KKGE Cc1sc(Br)cc1[C@H](Br)c1ccc(I)c(Br)c1 721596089 ZHBZTFXSFQMKMK-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE CC1(C)CC[C@]23CC[C@]4(C)[C@@]5(C)CC[C@@H]6C(C)(C)/C(=N/OC(=O)C[C@@H]7SC(=O)NC7=O)CC[C@@]6(C)[C@@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@H]3C1 1076011191 YMOJHOVBTLWOMT-CPTPWXSJSA-N 705.756 7.562 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(I)c1OCc1ccc(Br)cc1 1083955250 YZPQLACGJMUNCY-UHFFFAOYSA-N 734.432 8.561 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 1084117735 GMQLGSUHOWZKDO-SANMLTNESA-N 536.028 5.552 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 1084230526 LCBGCPDMQSKYNE-GIJQJNRQSA-N 546.248 7.198 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc2ccccc12 1084340337 WVIKOCBYFFCETI-YZSQISJMSA-N 501.586 6.175 50 10 KKGE COc1cc(C=NNC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 1084357554 CCFFJXQCEGQXEN-UHFFFAOYSA-N 550.058 7.458 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1 1084361236 NZUFGDDDAPANDI-UHFFFAOYSA-N 619.765 5.740 50 10 KKGE CCOc1cc(C=NNC(=O)c2cccc(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1084425053 NAWWYOJTSDUICS-UHFFFAOYSA-N 507.852 6.222 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 1084608146 BPJNYCKTRPCHAP-RUZDIDTESA-N 541.873 6.374 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1 1084616782 LDEAABFZMTWPBV-WQRHYEAKSA-N 546.248 7.279 50 10 KKGE CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@H](OC(=O)C[C@@H](C)CC)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1565536475 VKBCMZKYIQGGGT-GHSNRAIYSA-N 644.617 10.635 50 10 KKGE COc1cc(C=NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 1772756467 ZJTJSQIUJFLCMN-GOSISDBHSA-N 529.464 6.796 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865687884 CLEKEZVVOIRMCM-HHHXNRCGSA-N 574.603 6.763 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 1865688159 LLWSVOQRPJXIIK-SSEXGKCCSA-N 534.660 6.307 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)cc1OCC 1865691261 NZTUZMRNFPJYHI-OAQYLSRUSA-N 513.520 5.472 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1865691796 BEQLZFCQTRDHFF-KRWDZBQOSA-N 541.313 5.442 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)F)nn2-c1cccc2ccccc12 1865692225 DBNZZOOQFFRPMM-OAQYLSRUSA-N 506.484 5.670 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc(OC)c1OC 1865693037 QUSKPUGOSAREAW-DEOSSOPVSA-N 528.996 5.496 50 10 KKGE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1cc(Br)cc(OC)c1O)C(C#N)=C(N)O2 1865695530 DNYSEGNWAANZPZ-LJQANCHMSA-N 550.240 5.826 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2)ccc1OCCCc1ccccc1 1865697437 SJMFOXSHDXFXOV-SANMLTNESA-N 560.576 6.189 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 1865709567 CXGRMDYAFBGZSW-SFHVURJKSA-N 568.295 5.155 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 1865710202 QRWHULBJFNSXBC-RUZDIDTESA-N 507.550 5.350 50 10 KKGE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 1865715049 ULTZGJPJQHEOHF-LJQANCHMSA-N 504.215 5.781 50 10 KKGE COc1ccc([C@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)C(C)C)cc1C 1866775763 PDNBCOAHBKYCLJ-NAKRPHOHSA-N 501.652 6.203 50 10 KKGE CC(C)(C)c1ccc(S(=O)(=O)CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)cc1 1866811186 LUEFVYKRRZFNRC-AREMUKBSSA-N 567.708 5.226 50 10 KKGE CC[C@](C)(NC(=O)C[C@H](c1cccc(Br)c1)c1nnc(C)o1)C(=O)Nc1ccc(SC#N)cc1 1867035596 QZYRPQUOLAATIE-YKSBVNFPSA-N 542.459 5.159 50 10 KKGE CC(C)(C)c1nc(Nc2ccc(SC#N)cc2)cc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 1868341823 AMJIHLOXKIMSER-UHFFFAOYSA-N 502.644 6.458 50 10 KKGE CC[C@@H]1Cc2cc(OC)ccc2N(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n2)C1 1868433456 LSCWMAAVAQDKSA-LJQANCHMSA-N 528.081 7.843 50 10 KKGE COc1ccc2c(c1)CCN(c1cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(Cl)cc3)n1)[C@@H]2C 1868433669 PHOWQVGZTDTGKS-GOSISDBHSA-N 514.054 7.246 50 10 KKGE CSCC[C@@H](/C(O)=C(\C#N)c1nc(-c2ccc3c(c2)CCCC3)cs1)N1C(=O)c2ccccc2C1=O 1872745570 TWWSATDGJGDIAW-JRURIKFDSA-N 515.660 5.899 50 10 KKGE O=S(=O)(c1ccc(CBr)c(Br)c1)N(Cc1ccccc1)Cc1ccccc1 1882230209 SEPDAYSPXFINGU-UHFFFAOYSA-N 509.263 5.735 50 10 KKGE Clc1ccc(I)c(CN(Cc2ccccc2)[C@@H](CBr)C2CC2)c1 1915154807 WZEXUJQGRBKESS-IBGZPJMESA-N 504.637 6.120 50 10 KKGE COc1ccc(NS(=O)(=O)c2ccc(C=CC(=O)NNC(=O)c3ccc(COc4ccc(Cl)c(C)c4)cc3)cc2)cc1 2042445803 QTZGXQSTLHIDJN-UHFFFAOYSA-N 606.100 5.511 50 10 KKGE O=C(Nc1ccc(Cl)cc1)C(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 2042455646 SKGHOOXMHBIXBB-UHFFFAOYSA-O 562.029 6.544 50 10 KKGE Fc1ccc([C@H](Br)c2ccc(Br)cc2Br)c(I)c1 2083335269 RNRVYNWBOSTNCV-CYBMUJFWSA-N 548.813 6.440 50 10 KKGE COCc1cc(Br)c([C@@H](Br)Cc2ccccc2I)s1 2087569005 BIMKNTUNVSTWLV-NSHDSACASA-N 516.036 5.940 50 10 KKGE CN(C(=O)c1cc(Br)ccc1I)C1CCC(CBr)CC1 2171112155 RXDKMPGICRFFMD-UHFFFAOYSA-N 515.027 5.079 50 10 KKGE COc1cc(F)c([C@@H](Br)Cc2ccccc2I)cc1Br 2202904469 RZPKEKIWNJQTJN-NSHDSACASA-N 513.970 5.880 50 10 KKGE Cc1cccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1I 2206393692 AKZBLTSJSDGNGC-LLVKDONJSA-N 702.642 8.134 50 10 KKGE CC(C)(C)C1CC([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2206394910 KFBSOFZKBSGALS-WZQIAMPNSA-N 596.821 8.245 50 10 KKGE FC(F)([C@H]1CCOC1)[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206395161 MKOUVOJVJAFFBH-ULHQUTTKSA-N 562.268 6.688 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)C2CCC3(CC2)CC3)c1Br 2206395924 RHNWDIJOOWNREE-LBPRGKRZSA-N 594.805 8.143 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)c2cc3cscc3s2)c1Br 2206397110 FEKLVXDRFCAAHY-CYBMUJFWSA-N 624.837 8.497 50 10 KKGE Clc1cc(Br)ccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206408536 KINRUUPTVIQKFG-ZDUSSCGKSA-N 631.609 8.481 50 10 KKGE BrCc1cc(Br)cc(Br)c1OCc1ncsc1Br 2219011828 YMLAIHNQRGIHOK-UHFFFAOYSA-N 520.866 5.905 50 10 KKGE Clc1cc(Br)c([C@@H](Br)c2cc(Br)sc2Br)c(Cl)c1Cl 2224304371 ISSFAMBFOZMYPK-QMMMGPOBSA-N 593.187 8.480 50 10 KKGE Cc1ccc([C@@H](Br)c2cc(Cl)c(Br)cc2F)cc1I 2224621239 ADTLLOIXKTWXEM-CQSZACIVSA-N 518.389 6.639 50 10 KKGE CCOCc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)s1 2233017979 CZVXWZCPEWPZSK-LBPRGKRZSA-N 503.481 6.947 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)cc3c2OCC3)c(Br)c1C 2237629011 CSFLQGWQXCDSEK-CYBMUJFWSA-N 528.047 6.151 50 10 KKGE COc1cc(Cl)c([C@@H](Br)c2sc(C)c(C)c2Br)cc1Br 2237630817 ALRJGPAFSHEOAH-CYBMUJFWSA-N 503.481 7.036 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)ccc2F)c(Br)c1C 2253471732 REZGWFWOAAKRQG-GFCCVEGCSA-N 504.000 6.355 50 10 KKGE Cl[C@@H](Cc1cc(Br)cc(Br)c1)c1cccc(I)c1 2263518875 KUTMUBLLQHIZNJ-AWEZNQCLSA-N 500.399 6.339 50 10 KKGE CC1CC(CC[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2274616256 UEKHXWGKBYXOCR-AMDVSUOASA-N 582.794 7.999 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccc(Cl)c(I)c2)c(F)c1F 2283573938 MCFBDYCVXADQIU-LLVKDONJSA-N 540.342 6.609 50 10 KKGE N#CC(C(=O)NCc1ccccc1)=C1S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 2293198358 ZNOWBQSAGQMQFQ-HSZRJFAPSA-N 526.420 5.875 50 10 KKGE CC(=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(Cl)cc1 2295137590 VJZVBFNUYUMQGK-UHFFFAOYSA-N 556.706 5.786 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccccc1Cl 2295459683 NDPNUMATGXJIFU-UHFFFAOYSA-N 521.322 7.145 50 10 KKGE O=C(N[C@@H](CCBr)COCc1ccccc1)c1ccc(I)c(Br)c1 2303547098 OBRSYYPPHZZQGM-HNNXBMFYSA-N 567.059 5.154 50 10 KKGE N#CC(=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 2313557187 WPKOLLQHPORFDR-UHFFFAOYSA-N 534.399 6.018 50 10 KKGE COc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 2313568722 YBVCGZYVKDJWFE-UHFFFAOYSA-N 532.984 5.092 50 10 KKGE Cc1ccc(S(=O)(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 2314476583 RFQIFXZLXMFIHN-UHFFFAOYSA-N 572.712 5.361 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)c(Cl)c3)SC2=C(C#N)C(=O)Nc2ccccc2)cc1 2314592081 LMSIRVBOPZXBCJ-RUZDIDTESA-N 536.484 7.182 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592853 CVEMKBHPDGQINQ-DCFHFQCYSA-N 530.093 6.767 50 10 KKGE CCCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 2314619748 DTQQQSFVIBFTMU-UHFFFAOYSA-N 602.760 7.275 50 10 KKGE CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1 2314620724 TTZNCFOVWMQLLO-UHFFFAOYSA-N 579.125 7.487 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)c(Cl)c(C)c1Br 2314770594 KYUFPGHGPRTMEE-UHFFFAOYSA-N 587.854 5.919 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=C(O)CCCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)n2)cc1C 2331403806 KDSMRHQKELWPEN-UHFFFAOYSA-N 518.551 5.213 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCC(=O)N(CC)CC 2331468136 CCFPVRRKBZSBDE-UHFFFAOYSA-N 519.667 6.146 50 10 KKGE COC(=O)c1c(NC(=O)C=Cc2cc(Br)c(OC)c(OC)c2)sc(C(C)=CC#N)c1C 2331560264 MVWFQKKTMKDHHO-UHFFFAOYSA-N 505.390 5.202 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Cl)c1cc(Br)c(Cl)s1 2339660119 ZQPCSWVKNGPTHB-SNVBAGLBSA-N 511.863 7.465 50 10 KKGE Fc1cc(Cl)c(Br)c(Cl)c1[C@H](Br)c1cccc(Br)c1Cl 2360493778 RQKCONGEVAPYLB-SNVBAGLBSA-N 526.252 7.795 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3ccc(OCC)c(OCC)c3)cc2)sc2c1CC[C@H](C)C2 6167572 CQBWACGTHDQXQT-MATHZJMASA-N 621.756 6.017 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1 14648232 DMQHRYOTQFPMIM-UHFFFAOYSA-N 525.443 5.915 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccccc2)cc1 33786633 SQXLZUORQCZRJM-CHTIKVTKSA-N 511.603 5.237 50 10 KKGE C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1OC 38681050 QRUOXBGNWZFXAF-MUUNZHRXSA-N 512.562 5.486 50 10 KKGE COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5ccccc5c4Cl)ccc32)c1OC 38688628 ULBGRVDBYSATTN-JOCHJYFZSA-N 518.978 6.009 50 10 KKGE COc1cc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NC(C)C)cc2OC)ccc1OCc1ccccc1 40890509 KTKQFIHHTFZFHH-KHSOTRJGSA-N 526.589 5.333 50 10 KKGE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(=O)CN(Cc1ccccc1)Cc1ccccc1 59147758 ZTEVFQAGVCAVFB-KBVAKVRCSA-N 500.046 5.354 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C)c1 59304796 BJWBDGDOOUPVPG-UVHMKAGCSA-N 508.372 5.462 50 10 KKGE O=C(NN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 97980513 GGLDDOKWWGTANZ-JJIBRWJFSA-N 641.027 5.622 50 10 KKGE C=CCN1C(=O)C(c2ccc(N(CCCc3ccccc3)CCCc3ccccc3)cc2)=C(C#N)C1=C(C#N)C#N 100085554 NARHKIJDPPQASV-UHFFFAOYSA-N 537.667 6.365 50 10 KKGE O=C(NC(=S)NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCCc2ccccc2)c(Br)c1 100212807 CWBCURJCVNZHRK-UHFFFAOYSA-N 588.936 5.888 50 10 KKGE O=C(NNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 100947974 STBSGPSZJSWJDE-UHFFFAOYSA-N 523.936 5.600 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N([C@@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1Br 101337442 FWKDDJSUBLDXEB-AUEUWSLNSA-N 593.481 6.664 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@H]1c1c(F)cccc1Cl 101371386 UZFFUMZJPNYMDZ-MRXNPFEDSA-N 540.803 5.377 50 10 KKGE CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 101374401 DPWZJIIQGQLXEP-KEEVHDRGSA-N 542.632 5.883 50 10 KKGE CC(C)c1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101380020 FIHQTJZLCUPCHX-DHYKOVJISA-N 595.095 7.633 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc([N+](=O)[O-])cc4)ccc32)ccc1OCc1ccc(C)cc1 101385323 HAWZIPMOECGZMS-JGCGQSQUSA-N 593.592 5.693 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(CC)cc4)ccc32)ccc1OCc1ccccc1F 101389138 HEINOMGLSIGUIN-RIPCNWKXSA-N 608.666 6.957 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc2[C@H]1c1cccc(Cl)c1 101391099 IUPBGLGBCLQQLX-HXUWFJFHSA-N 562.261 7.952 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4ccccc4c3Cl)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101391931 YPRMYJATVABSBS-NRFANRHFSA-N 527.816 7.299 50 10 KKGE CCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1Cl 101394467 SYTTYDKNFBMYBB-JOCHJYFZSA-N 547.797 7.012 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)ccc1OCCC(C)C 101395851 VAMJZGALZDHZMX-YTTGMZPUSA-N 580.681 7.619 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101397979 KWKNSNIDMPYXHQ-XZWHSSHBSA-N 601.442 6.536 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)ccc1OCc1ccc(C)cc1 101399613 RHLWDFUDNSWVIB-XIFFEERXSA-N 600.627 6.517 50 10 KKGE Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611840 DCXDZXBITCCLNX-DFKUXCBWSA-N 555.462 5.093 50 10 KKGE Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1cccc(C(F)(F)F)c1)CCC2 101616599 LBLLKMWPWHPKGU-FDAWAROLSA-N 539.341 6.141 50 10 KKGE COc1ccccc1NC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 102666214 IOMSFXYLSCBLFC-OALFQMFHSA-N 524.429 6.067 50 10 KKGE CN1C(=C(C#N)C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)N(C)c2ccccc21 102922543 XVJNRXXPKASZJK-KNTRCKAVSA-N 532.625 5.830 50 10 KKGE Cc1ccc(N2C(c3ccccc3)=CS/C2=C(/C#N)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 103071475 MRWWJGXRZSKXIU-NFFVHWSESA-N 512.660 5.328 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 103725076 KPXBKFNSKMHWSD-GZZLJNBRSA-N 508.747 8.271 50 10 KKGE BrCC1(COc2c(Br)cc(Br)cc2Br)CCCCC1 114765483 GMGGHWKHZLPJTM-UHFFFAOYSA-N 519.897 6.698 50 10 KKGE Brc1ccc([C@@H](Br)c2ccccc2I)c2ccccc12 127460658 UHNIFHXXTPXPJG-QGZVFWFLSA-N 501.987 6.691 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(C)cc3)c(I)c2)cc1 150429057 WZGKEDVTYLLZTO-WIQDYGPDSA-N 651.339 6.304 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)N/N=C(\C)c3ccc(Br)cc3)cc2)c2ccc(C)cc2)cc1Br 164600730 OECVTLYXWGWBIG-QNKGDIEWSA-N 685.438 7.078 50 10 KKGE COc1cc(/C=C\C(=O)Oc2ccc(/C=C(/C#N)C(=O)NCc3ccco3)cc2OC)ccc1OCc1ccccc1C 206509027 GQQMFVBSXOWVIG-NRZJBFQESA-N 578.621 6.026 50 10 KKGE C[C@@H](Br)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 207048032 ZXJGIOPHAIVNCM-CQSZACIVSA-N 510.067 8.137 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 207214840 UXYVPXYHSJGALN-QJOMJCCJSA-N 534.653 5.159 50 10 KKGE CCOc1ccc(Br)cc1[C@H](Br)c1cc(Br)cc(Br)c1 233784327 GXMAFQZJSBOZRL-OAHLLOKOSA-N 527.876 6.857 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 253562313 DCXWGUUUAJTCKT-LFKNNZQMSA-N 621.210 7.640 50 10 KKGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)cc1 254289528 GREDUHFRYUFHKZ-MGBGTMOVSA-N 594.693 5.251 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1 254382206 QYPKVWVGXVGBLZ-PJKUZIMVSA-N 559.673 5.450 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1 254565600 BLXJOEIIPDHBTE-UHFFFAOYSA-N 556.791 9.771 50 10 KKGE O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1cccc(OCc2ccccc2)c1 254699296 BYWPXDQLPJSSEV-UHFFFAOYSA-N 506.678 5.652 50 10 KKGE CCOc1ccc(NC(=O)C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1 254704723 WDZHOCQPFSSHJO-UHFFFAOYSA-N 559.626 5.606 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C(Cl)=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 254748608 ARLQGYWPRYIQQJ-GAYNXCHWSA-N 518.042 5.725 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@H]2Br 261366739 HQJGRSFMPYKPHT-UVBJJODRSA-N 548.928 6.618 50 10 KKGE Brc1ccc([C@H](Br)c2cc3c(cc2Br)OCC3)c(Br)c1 308418438 RWBDPXPYJSDEJL-HNNXBMFYSA-N 525.860 6.393 50 10 KKGE CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 605692403 BXBZRBSTRFMYJK-IVFUUCCDSA-N 530.910 9.325 50 10 KKGE in-vitro CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)OCCl 616576598 HAKLHBNFZXCEPO-KOSHJBKYSA-N 529.033 5.280 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616589301 XAIQBZNFPUNWMQ-VBVUCVPISA-N 769.972 6.801 50 10 KKGE CNC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OCOC)C[C@@H]4C[C@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 725239672 VAFNSECFYVEGJC-GWUDLPMDSA-N 688.082 8.352 50 10 KKGE O=C(CC[C@H](O)c1ccccc1)NN=Cc1cc(Br)ccc1OCc1ccc2ccccc2c1 1083963548 IUFGFANSHOORBR-SANMLTNESA-N 517.423 6.145 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1cccc(F)c1 1084213361 CBAKRWLAQBNOFS-MUUNZHRXSA-N 534.628 5.895 50 10 KKGE O=C(NN=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2cc(Br)ccc2o1 1084239703 FLURNOVDSZXPKB-UHFFFAOYSA-N 536.184 6.984 50 10 KKGE C[C@H](SCc1ccccc1)C(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084393516 DQQZBDOSDUJNRX-SFHVURJKSA-N 522.468 5.181 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(N(CC)CC)cc2)cc1 1565517794 INOOUMASQUBKNR-UHFFFAOYSA-N 534.749 5.710 50 10 KKGE COc1ccc(C(=O)NN=C2CCCc3oc(C(=O)N(Cc4ccccc4)Cc4ccccc4)c(C)c32)cc1 1772745875 MKTJSJCDFMSONB-UHFFFAOYSA-N 521.617 5.910 50 10 KKGE CCOc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)Cc2coc4c(C)c(C)ccc24)CCC3)cc1 1772751710 KSVGZIWQBSMMFO-UHFFFAOYSA-N 513.594 6.001 50 10 KKGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@@H](SC)[C@H](OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848434809 NMNGXZIYPJHWNQ-GYFRTAMYSA-N 793.786 6.704 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688203 MYMJGVXLZAFUNG-MHZLTWQESA-N 569.448 7.235 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3)c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1 1865688297 OPLIXCQHPCLKIB-NDEPHWFRSA-N 514.585 5.987 50 10 KKGE C=CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2-c1ccc(Br)cc1 1865691200 MJAPJTSMMCFPBS-RUZDIDTESA-N 555.432 6.093 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 1865695385 NXKASRMAAYETDI-NDEPHWFRSA-N 527.024 6.007 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1OC 1865697181 OTZWCNFOUQBLJV-HXUWFJFHSA-N 518.923 5.950 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704828 FOSSYBFORWQVOB-AREMUKBSSA-N 545.014 6.405 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1OC(=O)c1ccccc1 1865705085 LRQALYONXMQQLC-NDEPHWFRSA-N 540.579 5.985 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O3)cc1 1865711683 FTIQGMWYJMOPLF-SANMLTNESA-N 559.022 5.504 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866648708 TVNRSWOONVFFBH-MHZLTWQESA-N 556.713 6.131 50 10 KKGE Cc1ccc([C@@H](CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866739466 WDGZRSJBDOEFMX-RRPNLBNLSA-N 503.643 6.203 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)n1 1868301769 XIDXRXBKZRVMTL-UUWRZZSWSA-N 570.766 8.934 50 10 KKGE CCc1cccc(C)c1N1C[C@H](/C(O)=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1=O 1872746556 NFIMQBWUCOHKPP-FCZGTTMTSA-N 508.441 6.289 50 10 KKGE CCc1cccc(CC)c1N1C[C@@H](/C(O)=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1=O 1872748772 NBVVYTMAWQCOGI-BVHWPRFASA-N 512.462 7.087 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccc(Cl)cc1 1872792841 UGWSOIIBEKZMGP-LPYMAVHISA-N 517.050 7.741 50 10 KKGE CCCN(CCC)C(=O)COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)s3)cs2)cc1OC 1872794706 RFLKJPAQBVGMDK-LDADJPATSA-N 516.088 6.625 50 10 KKGE COc1cc(/C=C(\C#N)c2nc(-c3cc(Cl)ccc3OC)cs2)ccc1OCCCc1ccccc1 1872795009 IGDMKVNVQHSLAX-PXLXIMEGSA-N 517.050 7.556 50 10 KKGE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 1873793340 KEOAGVXONWOJNN-BXPUGBIQSA-N 508.446 5.962 50 10 KKGE BrCCCN(Cc1ccccc1)Cc1ccc(I)c(Br)c1 1893242332 YWLLOJWUPSHVAR-UHFFFAOYSA-N 523.050 5.841 50 10 KKGE Cl[C@@H](c1c(Br)sc(Br)c1Br)[C@H]1CCOc2ccccc21 1924601755 ZLPNHYMRZDGBJJ-QPUJVOFHSA-N 501.465 6.882 50 10 KKGE Cl[C@H](c1c(Br)sc(Br)c1Br)[C@H]1CCOc2ccccc21 1924601756 ZLPNHYMRZDGBJJ-UFBFGSQYSA-N 501.465 6.882 50 10 KKGE FC(F)(F)C(F)(F)C[C@@H](Cl)c1c(Br)sc(Br)c1Br 1924611979 HWVOPZHQFGEADV-UWTATZPHSA-N 501.334 6.903 50 10 KKGE Cc1sc(Br)c([C@@H](Cl)c2cc(I)ccc2Br)c1C 2082873508 KVZIFAALLHAQDG-LBPRGKRZSA-N 520.455 6.823 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2cc(I)ccc2F)s1 2113352305 ZJUZJVZFTAGDGC-LBPRGKRZSA-N 519.999 5.885 50 10 KKGE Cn1ncc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1I 2141468678 MLIWXVIHYQFQMP-QMMMGPOBSA-N 692.607 6.559 50 10 KKGE Clc1ccccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141477084 LEQHFPJYXDGDEU-ZDUSSCGKSA-N 552.713 7.718 50 10 KKGE FC1(F)CCC2(CC1)C[C@H]2[C@@H](Br)c1c(Br)sc(Br)c1Cl 2163395907 KHZZZXCIYGEUII-POYBYMJQSA-N 513.467 7.578 50 10 KKGE CCN(CCCOCc1ccccc1)S(=O)(=O)c1cc(CBr)cc(Br)c1C 2179827389 DWCHSPDXDYLMSM-UHFFFAOYSA-N 519.299 5.270 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CCC[C@H]3C[C@@H]23)c1Br 2206401002 UNBBFHIKYFRIMI-AXTSPUMRSA-N 594.805 7.999 50 10 KKGE Cc1cc([C@@H](Cl)c2cc(I)cc3c2OCC3)ccc1I 2207102230 JIXRIILUAYCIHI-OAHLLOKOSA-N 510.540 5.467 50 10 KKGE Clc1cc(Br)c([C@H](Br)c2ccc(I)cc2)c(Cl)c1Cl 2224304523 KFYPAXZCHOJQFY-LLVKDONJSA-N 555.262 7.498 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2csc(Br)c2Br)c(C)c1Br 2227362598 OVOBISWRAQIRIO-LLVKDONJSA-N 596.802 7.899 50 10 KKGE CC1([C@@H](Br)c2c(Br)sc(Br)c2Br)CC2(CC(F)(F)C2)C1 2239246735 AFSSFVHYXZMKOC-QMMMGPOBSA-N 557.918 7.687 50 10 KKGE Cc1ccc(I)c([C@H](Cl)c2cc(I)cc3c2OCC3)c1 2240996716 OQUSZUNROSPLAQ-HNNXBMFYSA-N 510.540 5.467 50 10 KKGE Cc1c(Br)ccc([C@@H](Cl)c2ccc(Cl)c(I)c2)c1Br 2268270925 WDXAAQSMQHWXQK-AWEZNQCLSA-N 534.844 7.106 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(Br)c2Br)cc1I 2269554997 ZDNRTCUPGUFGSG-CYBMUJFWSA-N 560.849 6.309 50 10 KKGE Cn1nc([C@@H](Br)c2c(F)cc(Br)c(F)c2Br)cc1Br 2272747962 PQUJLYUVSGMORG-SECBINFHSA-N 523.795 5.470 50 10 KKGE CCn1c(SCC(=O)NN=CC(Br)=Cc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 2293701508 TVKXXTPISNHEIX-UHFFFAOYSA-N 526.504 5.893 50 10 KKGE C=C1C(=CC=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)C=C[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 2296453387 DIMYHZDULFSWLS-SNSIPTKOSA-N 641.142 11.150 50 10 KKGE Cc1ccccc1NC(=O)C(C#N)=C1S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2296506843 HSZKRUWHQSXFJM-HSZRJFAPSA-N 508.430 6.367 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC1CCCCC1 2296730313 UNUFJJZMVMFXFV-UHFFFAOYSA-N 537.063 7.128 50 10 KKGE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C=C(C#N)c4nc5ccccc5s4)cc3)cc2)C1 2297476809 JZHXFMAWMIPFBY-SFTDATJTSA-N 557.697 6.246 50 10 KKGE Cl[C@H](c1ccc(I)cc1)c1ccc(OCc2ccccc2)cc1Br 2299523432 UDKBKHHSNDKIAT-HXUWFJFHSA-N 513.600 6.961 50 10 KKGE Cc1ccc(C)c(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 2313560808 HLKUCTZIRDQZCT-UHFFFAOYSA-N 609.145 8.260 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 2313570844 HKQIOHGQKLCGNM-UHFFFAOYSA-N 534.418 7.665 50 10 KKGE N#CC(=Cc1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313570883 ILSVNMZXORRODP-UHFFFAOYSA-N 520.185 7.020 50 10 KKGE Clc1cc(Br)ccc1[C@@H](Br)c1cc(Br)ccc1OCc1ccccc1 2314493285 VRFUPUINLJZKHG-HXUWFJFHSA-N 545.496 7.928 50 10 KKGE N#CC(=Cc1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 2314533647 SNFSLRCUEPSSKY-UHFFFAOYSA-N 511.752 5.993 50 10 KKGE CC1=C(C#N)C(=O)N(CC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 2314611046 PEDVGULUMXDZRL-UHFFFAOYSA-N 560.629 6.506 50 10 KKGE CC(=O)OCCOCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3cccc4ccccc34)cc2)C(C)=C(C#N)C1=O 2314620394 PCSKWRXHQUPMQI-UHFFFAOYSA-N 666.734 6.443 50 10 KKGE Clc1ccc(CC(CBr)(CBr)C2CCC2)cc1I 2315593364 IFVMLLTVQDFQRH-UHFFFAOYSA-N 506.447 6.063 50 10 KKGE CCCc1sc(Br)cc1[C@@H](Br)c1ccc(I)cc1 2316169409 CVULPDHOMSZYAN-AWEZNQCLSA-N 500.037 6.552 50 10 KKGE Cc1ccc(-c2csc(C(C#N)=C(O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n2)c(C)c1 2331310980 BJJSFMFUPQGFCZ-UHFFFAOYSA-N 514.072 6.205 50 10 KKGE CSCC[C@@H](C(O)=C(C#N)c1nc(-c2ccc(C(C)(C)C)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331332874 XLYPMSSOOANKRH-QHCPKHFHSA-N 517.676 6.318 50 10 KKGE CCCCCCCOc1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(C(C)(C)C)cc3)n2)cc1 2331345508 PVMAARJKOCGLAH-UHFFFAOYSA-N 500.708 8.963 50 10 KKGE N#CC(=C(O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1nc(-c2cc(Cl)ccc2Cl)cs1 2331405316 FYZFPBJSMIWMEW-UHFFFAOYSA-N 501.307 5.114 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cccc4ccccc34)cs2)ccc1OCc1ccc(Cl)cc1 2331456864 ONJVAJQENNYAIC-UHFFFAOYSA-N 509.030 8.268 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)c2ccc(Br)cc2)c1Br 2337113301 HTMQTBAMTSUADQ-NSHDSACASA-N 536.258 7.251 50 10 KKGE CC(C)[C@@H](Br)C(C)(C)CN(C)c1ncc(I)cc1Br 2340434734 WSHAFXWYAXLYTQ-GFCCVEGCSA-N 504.048 5.331 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2OC[C@@H]3CCC[C@H]23)c1Br 2358469092 LACBGACAYHVMOA-HIZWJCBPSA-N 596.777 6.988 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Cl)ccc2Cl)c1Br 2362230262 OYRNEFAWCQNLIE-LLVKDONJSA-N 526.252 7.795 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)c(Cl)s2)c1Br 2365216172 RJWWQKLMYRBESK-JTQLQIEISA-N 568.350 7.490 50 10 KKGE Clc1c(Br)ccc(CBr)c1OCc1c(Br)cccc1Br 2366217847 VDUDVLIEWJHKGG-UHFFFAOYSA-N 548.294 7.101 50 10 KKGE CCC1CCC(CI)(OCc2cc(I)ccc2Cl)CC1 2380353408 LDGJXNPJZDJBIB-UHFFFAOYSA-N 518.604 6.235 50 10 KKGE COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)N/N=C/c1c(Cl)cccc1Cl 3135337 MVVMFWDOPUBFIB-KTZMUZOWSA-N 502.141 5.897 50 10 KKGE N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 6060053 OYSIIEINLHQDSD-DTQAZKPQSA-N 533.616 5.150 50 10 KKGE O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1cccc(OCCc2ccccc2)c1 10331235 UTSUSQSHUADQIW-UHFFFAOYSA-N 519.395 5.064 50 10 KKGE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1 29491696 ARZAFDCJVXFKHV-QOMWVZHYSA-N 567.715 6.204 50 10 KKGE C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Br)ccc32)c1 38684515 GTQKFTFZHISEPZ-XMMPIXPASA-N 503.352 5.451 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 38686878 WADIUMYMXJYCBK-MUUNZHRXSA-N 510.496 5.981 50 10 KKGE Cc1cc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cccc([N+](=O)[O-])c3)c(C)c2cc1Cl 40547524 FVHJNOMMSSOARR-DEOSSOPVSA-N 515.909 6.049 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 101241087 UPEXYWWODCFPQI-MZOFLMDJSA-N 504.011 5.091 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3cc(Cl)cc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1C 101241379 RNMOJDJYYDFYBX-IEQIIXMPSA-N 536.484 6.353 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)C1=O 101335545 OKNNGVODHHGUCY-OVVQPSECSA-N 502.574 5.321 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 101339970 CLWZPDVEVQIHTJ-QXUDOOCXSA-N 624.672 7.058 50 10 KKGE COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101378977 AJQIAWXDDOSTSP-LJAQVGFWSA-N 538.987 6.365 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4C)ccc32)ccc1OCc1ccccc1Cl 101385878 XJGZCAXNBLNWML-JGCGQSQUSA-N 617.485 7.092 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(Cl)cc4)ccc32)ccc1OCc1ccc(Cl)cc1 101386101 DBLPZEJMTAQSCG-QXDKDLNASA-N 599.470 7.418 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4C)ccc32)ccc1OCc1ccc(F)cc1 101386981 WYOOKMRQIFMYIW-SSEXGKCCSA-N 536.559 6.159 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4)ccc32)ccc1OCc1ccccc1F 101388986 MMEISGJHCWGTRR-MGBGTMOVSA-N 580.612 6.314 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)oc2ccc(Cl)cc12 101390934 YKLKFVWOWSPTKU-SSEXGKCCSA-N 563.009 7.411 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@H]3COc4ccccc4O3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101398081 BUVZFOIWNLQNGR-LOYHVIPDSA-N 532.552 5.229 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)c5oc6ccc(C)cc6c5C)ccc43)c2)cc1 101398318 FRFGZLFOAFOZDG-JGCGQSQUSA-N 556.618 7.374 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)cc1 103731310 YEADIQKQFGDHLS-MWAVMZGNSA-N 519.646 6.681 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Br)c1OCc1cccc(F)c1 103880866 YNLLOOOZEIJNLG-FDALDRLYSA-N 626.526 8.096 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4Cl)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150433273 QDJMOLPBVZQMRW-JGCGQSQUSA-N 651.930 7.827 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Br)cc4)ccc32)ccc1OCc1ccc(C)cc1 150462735 XCKUAVNWPHUCJA-JGCGQSQUSA-N 627.491 6.548 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150485397 RZNZQPGUFRNTGF-WTPASJBYSA-N 635.475 7.311 50 10 KKGE CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 197189390 WZGPIBBCDYPFDI-TYOAQRMGSA-N 577.795 5.911 50 10 KKGE in-vitro CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)cc1 205642911 FEOXTCYFNHLEHA-AVMZOENISA-N 522.645 7.000 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)c(OC)c1 205647155 IGZROCOJHYSIRE-HPWHTHCCSA-N 510.590 5.838 50 10 KKGE CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OCC)c1 206288896 KAJBXEXUFSDFOV-RTCWJMDDSA-N 527.573 5.762 50 10 KKGE CC1=C(C#N)C(=O)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)c(C)c1 214336004 JRMIJXFOHGLJEH-REHUEKKTSA-N 604.710 7.780 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)ccc2I)sc1Cl 235862452 TXBMGJLYSKBDLX-NSHDSACASA-N 506.428 6.561 50 10 KKGE C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N(C1CCCCC1)C1CCCCC1 253569093 LZMJVIBKEOESCN-PGOROUBUSA-N 714.384 8.326 50 10 KKGE O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NN=C/C=C\c1ccccc1[N+](=O)[O-] 254382120 WBZHUJWKKAWOHT-QDQOTWJTSA-N 545.646 5.142 50 10 KKGE CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](Br)C[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 254402863 LRUCATHKPYDWOQ-OENNQEHDSA-N 571.684 9.707 50 10 KKGE Cc1ccc(SC(=NC(=C(Cl)Cl)P(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 254592672 HAOPOEJZVUVUIX-UHFFFAOYSA-N 522.437 8.152 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3c[nH]c4ccccc34)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254722059 WCWMCNOICZSORO-UHFFFAOYSA-N 522.678 6.264 50 10 KKGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc(OC)c1OC 254738423 YNRFNXXKMYSMSJ-UHFFFAOYSA-N 559.692 5.500 50 10 KKGE CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@@H]21)COc1cccc(C(F)(F)F)c1 256009278 WOAZYHLGNODOFU-OETNXESQSA-N 666.809 8.875 50 10 KKGE CCCCC(F)(F)[C@H](CC[C@@H]1[C@H](O[C@@H]2CCCCO2)CC(=O)[C@@H]1CCCCCCC(=O)OCc1ccccc1)O[Si](C)(C)C(C)(C)C 504017792 DXVSMWCKXOCOJF-RYXHGBNJSA-N 680.990 10.184 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)S(=O)(=O)c2ccccc2)cc1Cl 725444379 AAMZXHPRIPIOOK-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083817480 GEYKFJRDKMXPMQ-OTDCJKRWSA-N 702.964 7.691 50 10 KKGE O=C(CSc1ccc(Cl)cc1)NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1 1083901457 CRLKHAYYYLMAPI-UHFFFAOYSA-N 534.819 5.832 50 10 KKGE Cc1cc(C)cc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)S(=O)(=O)c2ccccc2)c1 1083910968 MGJSBUABBKKNCL-UHFFFAOYSA-N 549.096 5.710 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)cc(I)c1OCc1cccc(C)c1 1084014704 ZWQIKRGYPGGCTK-UHFFFAOYSA-N 619.253 6.460 50 10 KKGE COc1ccc(C)cc1N(CC(=O)NN=Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C)S(=O)(=O)c1ccccc1 1084045704 LYJAIUWTAFMGMW-UHFFFAOYSA-N 599.540 6.064 50 10 KKGE Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3ccccc3C)c2C)cc1 1084101534 SYPFMNSZZFCGBJ-UHFFFAOYSA-N 625.194 7.524 50 10 KKGE Nn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nnc1-c1ccccc1Br 1084118445 JVFNLOYXHUDYQK-UHFFFAOYSA-N 644.393 5.786 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccccc2Cl)c(I)c1)c1cc2ccccc2o1 1084131329 HSUQCFXSPJUXLV-UHFFFAOYSA-N 530.749 6.034 50 10 KKGE C=CCOc1ccc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1OCC 1084236098 GWDMNOJZFGIREW-UHFFFAOYSA-N 596.027 5.668 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 1084244039 QIEFBMLSYZNBIK-GZTJUZNOSA-N 549.195 6.723 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 1084451630 OAGIUOXYAJTHRH-UHFFFAOYSA-N 620.775 6.879 50 10 KKGE COc1ccccc1N/C(SCc1ccc(C#N)cc1)=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1 1088727037 HFGSNFBTBRRVEH-NJNXFGOHSA-N 508.525 6.305 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C\Nc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1OC 1772742755 HHRCQRFPXHNOQU-LIHMLNTASA-N 521.577 5.867 50 10 KKGE Cc1cccc(C(=O)NN=C2CCCc3oc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(C)c32)c1 1772744812 KAJNQNKFMSRSFZ-UHFFFAOYSA-N 503.908 6.291 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 1772748006 UPXVGDSIJPBSBR-UHFFFAOYSA-N 530.396 5.950 50 10 KKGE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1 1865686482 WENDJRWNFFWHRV-QFIPXVFZSA-N 523.807 6.726 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccc(F)cc2)ccc1OCc1ccccc1 1865687741 ZEQOZAIERVTWRQ-SSEXGKCCSA-N 558.613 6.543 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccn2)ccc1OCc1ccc(C)cc1 1865687870 CBIANJKVMCJWLC-DEOSSOPVSA-N 547.537 5.790 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865691528 UXGBDKUQELJKDJ-FQEVSTJZSA-N 553.368 6.604 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2F)cc1OC 1865696532 OTBRWIRJGLDCBG-AREMUKBSSA-N 504.606 5.819 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 1865705145 NJTOTXLIIWILOO-QFIPXVFZSA-N 534.469 5.527 50 10 KKGE Cc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3ccc(SC#N)cc3)c(C)o2)c1 1866650539 QRWQRHWOXALPBD-SANMLTNESA-N 526.618 5.146 50 10 KKGE COc1ccc([C@H]2C[C@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccccc3C)n2)cc1OC 1868301077 KDBCQHFHCGBZKK-ZEQKJWHPSA-N 553.688 6.488 50 10 KKGE Cc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)n2)c(C)c1 1872748587 DFLMHIZAXYGHHW-JRXCRPKVSA-N 505.599 6.127 50 10 KKGE CCCOc1ccc(-c2csc(/C(C#N)=C(\O)[C@@H]([C@@H](C)CC)N3C(=O)c4ccccc4C3=O)n2)cc1 1872749837 KDPOWCPPLFJPSI-BYWLSZILSA-N 501.608 6.102 50 10 KKGE C[C@H](Br)CCOc1c(I)cc(Cl)cc1I 1962368899 AZHKZSGBFISXSE-LURJTMIESA-N 515.354 5.102 50 10 KKGE CC[C@H](C)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 1995046983 CETYFRBJTAJTLR-SSDLBLMSSA-N 542.729 7.219 50 10 KKGE CS(=O)(=O)C[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2025783575 VGJIYLKIDLLRFY-ZCFIWIBFSA-N 534.289 5.061 50 10 KKGE Cc1sc([C@@H](Br)c2cccc(Br)c2Br)c(C)c1Br 2031482232 PWOAQYHPUUUTAV-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C(C#N)=Cc3ccc(OC(F)F)cc3)c2C)c1 2053622688 KJHCSNUDJKZETE-UHFFFAOYSA-N 508.477 5.059 50 10 KKGE Cc1c(Br)cc(CBr)cc1S(=O)(=O)N(Cc1ccccc1)C1CCCC1 2123244773 ASUCXQCQWHGEJP-UHFFFAOYSA-N 501.284 5.786 50 10 KKGE C[C@@H]1C[C@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)[C@@H](C)O1 2141467965 FJEIAOYFSTXABU-IXAVYGABSA-N 540.315 6.830 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@H]2CCCC23CC3)c1Br 2141470827 LCZXYPRTMFIMOY-HQJQHLMTSA-N 580.778 7.753 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3C2 2141471183 OVESFDKRZIESBY-KQMYINQWSA-N 534.311 6.919 50 10 KKGE CC1(C)CC[C@H]([C@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2141471268 PTPFSMFBHVBXKH-CPFSXVBKSA-N 538.343 7.843 50 10 KKGE Cl[C@@H](c1cccc(I)c1)c1c(Br)c(Br)cc(Br)c1Br 2141477186 MUXPPFWRHPCDJH-ZDUSSCGKSA-N 644.164 7.669 50 10 KKGE CC(C)CO[C@@H]1[C@@H](Br)C[C@@H]1Oc1c(I)cc(Cl)cc1I 2165531613 ORXVHRASMPUFCS-TVYUQYBPSA-N 585.445 5.505 50 10 KKGE FCCOc1ccc([C@@H](Br)c2c(Br)sc(Br)c2Br)cc1 2189495910 WBCRPZPCPUPRFX-SNVBAGLBSA-N 551.895 6.868 50 10 KKGE O=S1(=O)C[C@@H]2CCC[C@]2([C@@H](Br)c2c(Br)sc(Br)c2Cl)C1 2201874721 HWAULSCMFZEXSM-HQLZOWSPSA-N 527.525 5.577 50 10 KKGE CC1(C)CC12CC([C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)C2 2206395170 MPCSAQIJXCZFEZ-SIXAUYTFSA-N 550.354 7.843 50 10 KKGE Clc1cc(I)c(OCCCCCCBr)c(I)c1 2216958173 CUFXROOGKDBFCQ-UHFFFAOYSA-N 543.408 5.883 50 10 KKGE FC(F)C1CC([C@@H](Br)c2c(Br)sc(Br)c2Br)C1 2217483372 RORYFNBQSGEPPG-BBZZFXJRSA-N 517.853 6.763 50 10 KKGE COc1cccc([C@H](Br)Cc2sc(Br)c(Br)c2Br)c1 2230060099 ZTPOYUJOOYDEMJ-SECBINFHSA-N 533.905 6.723 50 10 KKGE Cc1ccc([C@@H](Br)c2c(F)cc(F)c(Br)c2F)cc1I 2236111502 VKHGXKSXPSXGNU-GFCCVEGCSA-N 519.924 6.264 50 10 KKGE Cc1sc([C@H](Br)c2c(Br)cccc2Br)c(Br)c1C 2253506699 ZAEAIMFTBGFYAV-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cccc(OCc2ccccc2)c1 2272854090 MYDANMPNAUUYQW-GOSISDBHSA-N 547.031 7.553 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@H](Cl)c1c(Br)cccc1Br 2295289560 JFXJTNGFQSBUKG-ZDUSSCGKSA-N 503.843 6.964 50 10 KKGE COc1cc(OC)c([C@H](Cl)c2scc(Br)c2Br)cc1Br 2295425109 CKZYLQPHUMHRHN-LBPRGKRZSA-N 505.453 6.381 50 10 KKGE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 2296722564 LNSUCUSGZFLAJL-UHFFFAOYSA-N 520.010 5.910 50 10 KKGE CCOC(=O)c1c(NC=C(C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2296944887 PLIKKJJWYMHJTQ-SFHVURJKSA-N 536.679 7.084 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1ccc(Br)cc1Br 2303536630 AIALKXCYPTXZAH-OAHLLOKOSA-N 520.059 5.312 50 10 KKGE COc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1c(Cl)cccc1Cl 2313730515 ZHTHZBWXSUFJCL-UHFFFAOYSA-N 503.385 7.280 50 10 KKGE CCCCc1ccc(C[C@@H]2SC(=C(C#N)C(=O)Nc3ccccc3)N(c3ccc(OCC)cc3)C2=O)cc1 2314592516 WBDAHXMQXZSXNI-NDEPHWFRSA-N 525.674 6.493 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3cccc(C(F)(F)F)c3)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593717 RTYLPWFXEYHZEG-SANMLTNESA-N 549.618 6.571 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314593794 SXBJNDIAFLZDKJ-AVRWGWEMSA-N 501.583 5.138 50 10 KKGE COCc1ccc([C@@H](Br)c2cc(I)ccc2Br)s1 2315098446 UQKJYUVPVROSKD-ZDUSSCGKSA-N 502.009 5.746 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)Cc1ccc(Br)cc1 2316701329 MRIBNBCLYPHXAC-SECBINFHSA-N 501.842 5.386 50 10 KKGE COc1cc2nc(C(C#N)=Cc3ccc(OCc4c(Cl)ccc(Cl)c4Cl)c(OC)c3)nc(O)c2cc1OC 2331044489 READWKDGMXODFP-UHFFFAOYSA-N 572.832 6.965 50 10 KKGE COc1cccc(-c2csc(C(C#N)=C(O)c3ccc4c(c3)C(=O)N(CCc3ccccc3)C4=O)n2)c1 2331246418 LSDQLRWSZFRXPL-UHFFFAOYSA-N 507.571 5.607 50 10 KKGE CC(C)Oc1ccc(C=C(C(O)=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc2)cc1 2331333936 OWNDQZNDECLOCY-UHFFFAOYSA-N 508.599 7.359 50 10 KKGE N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2331414111 GXHHAPATHWNFSP-UHFFFAOYSA-N 520.657 9.273 50 10 KKGE COc1ccc(Cl)cc1-c1csc(C(C#N)=Cc2cc(Br)c(OC(C)C)c(OC)c2)n1 2331491698 DOLZRBZKXZIODW-UHFFFAOYSA-N 519.848 7.095 50 10 KKGE Brc1ccc(I)cc1CO[C@@H]1C[C@H](Br)C12CCCC2 2341839643 WGEWANLJOUFXNV-UONOGXRCSA-N 500.012 5.667 50 10 KKGE COc1cc(Br)c([C@@H](Br)c2ccc(Cl)cc2I)cc1C 2365594852 CNPWNTNTSBNJTL-HNNXBMFYSA-N 530.425 6.508 50 10 KKGE ClCc1cc(Br)cc(Br)c1OCc1cc(I)ccc1Cl 2380522260 LWSXPURIZOUACS-UHFFFAOYSA-N 550.843 6.787 50 10 KKGE C=C(C)COc1ccc(/C(=N/NC(=O)Nc2ccc(Cl)cc2)c2ccc(OS(C)(=O)=O)cc2)cc1 2191404 KHLBMGUCWSLYKE-COOPMVRXSA-N 514.003 5.207 50 10 KKGE CCN(CC)c1ccc(C=NNC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 17201310 PYGXSAFIBOLETI-UHFFFAOYSA-N 506.075 5.827 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1OC 38659577 RCDGZVNAFKXGIX-HHHXNRCGSA-N 500.551 5.318 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCCC)cc4)ccc32)cc1OC 38681063 XYALYDLNMUQRDV-LJAQVGFWSA-N 526.589 5.876 50 10 KKGE CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1 38682567 PNSMSMPOHOMNSN-MYUZEXMDSA-N 500.620 6.123 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2OCCCCC)cc1 38686126 AIRDZDHJAMWPQY-LJAQVGFWSA-N 510.590 6.258 50 10 KKGE CCCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(OCCCC)c4)ccc32)c1 40530092 ILASVABUORAKHK-SSEXGKCCSA-N 526.633 6.872 50 10 KKGE Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(=O)c1cccc(Cl)c1)CCC2 40813336 ZETPNKOWWVPJEL-QFMPWRQOSA-N 512.997 6.195 50 10 KKGE CC(C)COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1Br 100209308 KKSLMAIJCSWQOL-UHFFFAOYSA-N 615.388 5.258 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 100232204 BKIUZSBZEWIUID-DQSWQQFISA-N 535.855 6.588 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3ccc(Cl)cc3)c(Br)c2)cc1 100236225 JXUKFDPNRFVBPN-PCYMAAINSA-N 624.757 6.807 50 10 KKGE N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 101034112 NNGJETMRGBHNSJ-GZTJUZNOSA-N 551.967 7.955 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC 101307094 RPRVCEYVCBSJPP-WRGVRERRSA-N 540.616 5.974 50 10 KKGE COCCCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)C1=O 101335639 NWJWHOQRUXQTTR-NDZAJKAJSA-N 576.628 5.886 50 10 KKGE CCCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc21 101378198 DJGUHQVFCYDVJH-SANMLTNESA-N 533.422 6.455 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 101381551 NMXLNEPTFYDSRU-JKDJLUCVSA-N 569.444 7.409 50 10 KKGE COc1cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc(OC)c1OC 101382794 BQHWTYIHCDHIQE-PMERELPUSA-N 599.039 6.382 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)Cc3cccc4ccccc34)ccc2[C@H]1c1cccc(OCc2ccccc2F)c1 101383808 CKNLCLWUKZOYFX-UUWRZZSWSA-N 556.593 6.924 50 10 KKGE CCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2F)c1 101383922 LTFFBWHRMJVQOW-SSEXGKCCSA-N 536.559 6.241 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)ccc1OCc1ccc(C)cc1 101385394 IHAWPFFKPPIREG-XIFFEERXSA-N 611.094 7.055 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)oc2ccc(F)cc12 101390956 FXEOZEAUMDJSJL-PMERELPUSA-N 546.554 6.897 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccc(C(C)(C)C)cc1 101727585 BSDMDCIVYZAZEG-ATZGPIRCSA-N 594.202 7.981 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1Cl 102934492 KPEAQKROMYXDSZ-ZDLGFXPLSA-N 556.800 6.452 50 10 KKGE COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)ccc1OCc1ccc(C(=O)O)cc1 103738928 SCRVDLLMJRWONN-QXUDOOCXSA-N 552.627 5.827 50 10 KKGE C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 103746697 ZAXFHSSNTPYZTL-SVLFPQEESA-N 524.573 5.111 50 10 KKGE CCN(CC)c1ccc([C@@H]2N(/C(CCl)=N/S(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 104844477 VTXRFBOAMCQPRE-SKDBZILTSA-N 617.237 5.571 50 10 KKGE Fc1cc(Br)ccc1CC(CBr)(CBr)c1ccccc1Br 118878930 AVNLQDIRWHSJRO-UHFFFAOYSA-N 543.894 6.621 50 10 KKGE BrCC(CBr)(Cc1cccc(Br)c1)c1ccccc1Br 118878944 ZRFDYCUDRISHSA-UHFFFAOYSA-N 525.904 6.482 50 10 KKGE COc1cc([C@@H](Br)c2cc(Br)c(Br)s2)cc(OC)c1OC 128292669 YUYZWDYCYZVNBH-GFCCVEGCSA-N 501.034 5.783 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C(C#N)=C2C)c1 150452575 QOHNHJCQZJBHOU-RDRPBHBLSA-N 649.729 5.091 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)oc2ccc(Br)cc12 150482786 CVZKABDOXLCSAV-SSEXGKCCSA-N 641.905 8.174 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)cc1 164722907 SNSLAWKJQRZKNM-ZDLGFXPLSA-N 638.218 6.468 50 10 KKGE CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 214327761 DQFWSAPSQWHRBD-AAIZQTEUSA-N 536.632 5.406 50 10 KKGE O=C(Oc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC(=O)C2CCCCC2)cccc1P(c1ccccc1)c1ccccc1)C1CCCCC1 224611414 QONVCXRRYCLKSG-UHFFFAOYSA-N 774.878 9.841 50 10 KKGE CCCO[C@H]1[C@@H](Oc2c(Br)cc(Br)cc2Br)C[C@H]1Br 233240517 TUDBZXDZCRVJQM-NTZNESFSSA-N 521.869 5.684 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2ccc(Br)cc2Br)cc1Cl 234899188 UDFACGLRXRLEJF-CQSZACIVSA-N 503.843 7.011 50 10 KKGE Cc1sc([C@@H](Br)c2cc(Br)cc(Br)c2)cc1Br 235971202 PKCYKKGNPIQGQD-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)sc2c1CC[C@@H](C)C2 254309856 ITTADMMELRBWER-OAQYLSRUSA-N 653.713 5.577 50 10 KKGE CC(C)c1cc(C(=O)NN=Cc2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)cs1 254498356 AWVWTVCEQQPMST-UHFFFAOYSA-N 525.390 6.996 50 10 KKGE O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 254555703 GKULCLQHEHBUMS-UHFFFAOYSA-N 519.604 8.125 50 10 KKGE CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)/C=C\c2ccccc2)c(OC)c1 254567051 RXMWILVVLVKUOB-HGCAALCSSA-N 506.687 7.465 50 10 KKGE CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNC(=O)/C(=C\c3cccs3)NC(=O)c3ccccc3)cc2)cc1 254744481 CDNHHOMQQCUBLN-SAPXOYMRSA-N 551.668 6.186 50 10 KKGE Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 254824111 VHCWOONLNQGYNO-UHFFFAOYSA-N 508.647 5.292 50 10 KKGE Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2OC(=O)c2ccccc2I)cc1C 254833996 QSEPFDZGMFGOOG-UHFFFAOYSA-N 686.138 6.181 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2ccc(I)cc2)C1 382689006 OVFYERZUCAQVIS-WMZOPIPTSA-N 500.174 5.038 50 10 KKGE CCOc1ccc([C@@H](Br)c2cccc(F)c2I)c(Br)c1 721697211 IQQQKEMDQWSMIH-CQSZACIVSA-N 513.970 6.076 50 10 KKGE CN(C[C@H](c1cccs1)N(C(=O)CCl)c1ccc(Oc2ccccc2)cc1)C(=O)NCc1ccc(F)cc1 725238797 PVXDIZRYQIMCCB-AREMUKBSSA-N 552.071 6.834 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 725408849 UHCDRCBBCZLXBO-OCSGMDLSSA-N 641.186 12.671 50 10 KKGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1CSc1ccccn1 1083944812 MWGNKXMWGSCPJE-UHFFFAOYSA-N 611.709 5.781 50 10 KKGE O=C(NN=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1cccc(Br)c1 1084062805 HVDKHAZQBOILOG-UHFFFAOYSA-N 510.391 5.719 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccccc1 1084100128 CGLNDRBFHPHGJY-HSZRJFAPSA-N 511.416 5.391 50 10 KKGE N#Cc1ccccc1COc1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1I 1084156220 MAUAVEHZQQUYKW-UHFFFAOYSA-N 573.206 5.025 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C(=O)O)cc1 1084164169 RONCYIPTTZAPJH-BUVRLJJBSA-N 509.562 5.110 50 10 KKGE O=C(NN=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2cc(Br)ccc2o1 1084180388 IQFHCBHRIIIFCK-UHFFFAOYSA-N 652.093 6.971 50 10 KKGE CCOc1ccc2nc(Sc3ccc(C=NNC(=O)OCc4ccc(OC)cc4)cc3[N+](=O)[O-])sc2c1 1084225844 HZXRVQCDNUAREJ-UHFFFAOYSA-N 538.607 6.023 50 10 KKGE Cc1cc(C)cc(-n2c(C)c(Br)c(C=NNC(=O)CCSc3ccc(Cl)cc3)c2C)c1 1084293301 PZQSEBQJEKZEFW-UHFFFAOYSA-N 518.908 6.759 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 1084383093 FNUUYQVXIWZIHX-UHFFFAOYSA-N 680.532 7.336 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 1084397190 TZUSFKGWGXOXOJ-UHFFFAOYSA-N 583.541 6.363 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 1084511573 HXIAOKBQKKBYMD-UHFFFAOYSA-N 624.377 7.053 50 10 KKGE C=CCc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 1084644467 SXTQCQHVBMSFTG-UHFFFAOYSA-N 509.389 6.820 50 10 KKGE CCCCN1C(=O)C(=NNC(=O)CCCCCCCC(=O)NN=C2C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 1772720376 MCTUPYVSSOASBC-UHFFFAOYSA-N 614.791 5.668 50 10 KKGE Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748062 HWAUUXCRMFVXSP-NRFANRHFSA-N 517.629 6.168 50 10 KKGE Cc1c(C(=O)NCCc2ccccc2)oc2c1C(=NNC(=O)COc1ccc(Cl)cc1Cl)CCC2 1772749271 JYVBAFQQVQDRMM-UHFFFAOYSA-N 514.409 5.103 50 10 KKGE Cc1c(C(=O)Nc2cccc3ncccc23)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772749543 VQBBRZDCPZYJBQ-UHFFFAOYSA-N 528.612 6.377 50 10 KKGE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865687065 IOCHLWCNGUWKCT-MHZLTWQESA-N 510.569 5.439 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2c(F)cccc2Cl)ccc1OCc1ccc(C)cc1 1865695597 QGLWJEOXPQFTNG-NDEPHWFRSA-N 545.014 6.147 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865696666 PXBSHYBOJCSWAN-RUZDIDTESA-N 502.615 5.764 50 10 KKGE COc1ccc(-c2nn(Cc3cc(C)ccc3C)c3c2[C@@H](c2ccc4c(c2)OCCO4)C(C#N)=C(N)O3)cc1 1865698047 ITBLSZYYSGZCQO-MHZLTWQESA-N 520.589 5.213 50 10 KKGE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 1865704044 LHSBRLYFFMUZJK-AREMUKBSSA-N 531.443 6.929 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](CSCc2ccccc2)NC(=O)[C@@H](Cc2ccncc2)c2ccccc2)cc1 1866704450 CSPWTCSDNXZHGN-VMPREFPWSA-N 552.725 6.038 50 10 KKGE CC[C@](C)(NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(SC#N)cc1 1866798643 NQHRATJNZJIWDQ-QHCPKHFHSA-N 502.434 5.299 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)n2)c(OC)c1OC 1872794892 BWNICFPPNYVMCZ-XSFVSMFZSA-N 519.022 7.132 50 10 KKGE Cc1c(Br)sc([C@@H](Cl)c2sccc2I)c1Br 1922929126 GHGFSYFZNKTAGC-ZETCQYMHSA-N 512.457 6.576 50 10 KKGE Cc1cc([C@@H](Br)c2c(Br)sc(Br)c2Br)ccc1Cl 1924589413 BQGNAYUHYGVIBW-SECBINFHSA-N 538.324 7.482 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2Cc3ccccc3C2)c1Br 1924596415 OELCQXLGLUYDOJ-LLVKDONJSA-N 529.917 6.887 50 10 KKGE C[C@H]([C@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924615280 YSMDWACEQCLVFN-ATRFCDNQSA-N 511.899 6.287 50 10 KKGE CC(C)([C@H]1CCCO1)[C@@H](Br)c1c(Br)sc(Br)c1Br 1924616910 VBBWXNHGMRIVGV-MUWHJKNJSA-N 525.926 6.677 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)c2csc(Br)c2)c1Br 2024295877 VUSFLDCNQHMROE-LBPRGKRZSA-N 503.879 6.828 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CCCO1 2025783652 VNRSWRAOPCDWEQ-CPCISQLKSA-N 512.261 6.196 50 10 KKGE O=C(c1ccc(Br)cc1I)N(Cc1ccccc1)[C@H](CCl)C1CC1 2026217881 NUMRDQWDPYVVHA-GOSISDBHSA-N 518.620 5.714 50 10 KKGE CC(C)[C@@H]1CCC[C@@H]1[C@@H](Br)c1c(Br)sc(Br)c1Br 2056446620 HFEAMAVEYHIFKD-OYNCUSHFSA-N 523.954 7.544 50 10 KKGE COc1c(C)cc(Cn2nc(CBr)c(I)c2C(F)(F)F)cc1C 2079245740 MKSGHAIHHRPONZ-UHFFFAOYSA-N 503.100 5.075 50 10 KKGE BrCc1c(Br)cccc1OCc1cc(Br)ccc1Br 2118519223 HRQVRAUPWMTCGX-UHFFFAOYSA-N 513.849 6.448 50 10 KKGE Fc1cc(Br)c([C@H](Br)c2ccccc2I)c(F)c1Cl 2136966659 MDWVDNVJRSKXJB-LLVKDONJSA-N 522.352 6.470 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC2(CC2)CO1 2141471963 YGDMYIMNGIANGV-QPUJVOFHSA-N 538.299 6.586 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@@H]1C[C@H]2CCCCCC[C@H]21 2166118978 KAGXHDDHZWTVMR-DNRKLUKYSA-N 505.541 7.969 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)[C@H]1C[C@@H]1C1CCCCCC1 2199993266 ZIYNORXLGVJXDV-JFGNBEQYSA-N 505.541 7.969 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399019 BIRYCJSABLEPHW-LBPRGKRZSA-N 655.642 8.292 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Cl)c(Br)s2)cc1I 2212992928 TZDXDRDYKMVUNR-NSHDSACASA-N 506.428 6.561 50 10 KKGE Fc1cc(F)c([C@H](Br)c2cc(Br)c(Br)s2)c(F)c1Br 2227809164 OSUKQMLSEFSRQM-SECBINFHSA-N 543.822 6.937 50 10 KKGE CS(=O)(=O)C1CC([C@H](Cl)c2c(Br)sc(Br)c2Br)C1 2257524980 KBAUJFRPXLIYMZ-YXFGPURMSA-N 501.487 5.139 50 10 KKGE COc1ccc([C@@H](Br)c2cccc(F)c2I)c(Br)c1Cl 2283564545 ULIWWPCZWXGIMG-LLVKDONJSA-N 534.388 6.339 50 10 KKGE COc1cc(C)c(Br)c(C)c1[C@H](Br)c1scc(Br)c1Br 2285097455 XNPGTBNKFNKFMJ-ZDUSSCGKSA-N 547.932 7.145 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)c1 2295979393 CFEUXTUGQDRAEK-QHCPKHFHSA-N 518.436 5.823 50 10 KKGE C=CCc1cc(C=C(C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(I)cc1 2313568045 OFUJJUOFUWJROD-UHFFFAOYSA-N 551.222 5.356 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C#N 2313568888 YDGYEYDGZSNMDK-UHFFFAOYSA-N 502.368 5.762 50 10 KKGE Cc1c(Cl)cccc1NC(=O)C(C#N)=Cc1cc(Br)ccc1OCc1ccccc1Cl 2313681261 YVJYLPIMVDMRMY-UHFFFAOYSA-N 516.222 7.189 50 10 KKGE CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)c2nc(O)c3ccccc3n2)cc1 2314433340 MKXYEQMXTPESOS-UHFFFAOYSA-N 501.590 6.677 50 10 KKGE Cc1ccc(COc2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)C(=O)Nc3ccc(C)cc3)c2)cc1 2314477996 DWPXRRNZQSFYQT-UHFFFAOYSA-N 524.624 7.281 50 10 KKGE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3nnc(CCCl)s3)C2=O)ccc1OC1CCCCC1 2314487161 DAFUESOPGJPQDO-UHFFFAOYSA-N 581.185 5.660 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 2314616761 JDQAPGZJRVFDNN-UHFFFAOYSA-N 507.329 5.775 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2314620414 POVBSHRLVIWZOG-UHFFFAOYSA-N 522.967 6.124 50 10 KKGE Cc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 2314640623 DIHQKSHUAKSQIE-YTTGMZPUSA-N 549.026 7.064 50 10 KKGE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)c1 2314646757 MRFSKLUHCNKHJS-MUUNZHRXSA-N 618.715 5.245 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(Cl)cc1Cl 2331046602 ZQQFOVUZNYSREH-UHFFFAOYSA-N 550.398 6.471 50 10 KKGE COc1ccc(C=C(C#N)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OCc1ccc(Cl)c(Cl)c1 2331051588 OHWISGFKYKMPNV-UHFFFAOYSA-N 513.333 6.325 50 10 KKGE ClCc1cc(OCc2cc(I)ccc2Br)ncc1Br 2341553030 UNBIHRUSGQCDSG-UHFFFAOYSA-N 517.386 5.529 50 10 KKGE Brc1ccc(I)cc1CO[C@H]1CCCCCC[C@H]1Br 2341836146 DFOLMQGURRYUHU-CABCVRRESA-N 502.028 6.057 50 10 KKGE Cc1cccc([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1Br 2360425514 CNSATXWNKOAIHD-GFCCVEGCSA-N 505.834 7.450 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 2364063752 LPTAOBDGXHPGCY-SSDOTTSWSA-N 502.248 6.887 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)C[C@@H]2CC[C@H]2C2CC2)c1Br 2368177815 UXFBAYPEEIKFRR-LPEHRKFASA-N 594.805 7.999 50 10 KKGE COc1c(Br)cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Br 2056832 IYRFTBFWIPQFBG-VAEQDLCFSA-N 508.254 5.772 50 10 KKGE O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3092515 XNBJODCBYNCJEU-MUFRIFMGSA-N 566.249 6.277 50 10 KKGE N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 33779830 XMJWKGKIPVBLOR-WTALZMIHSA-N 512.393 6.197 50 10 KKGE Cc1ccc(COc2cccc([C@H]3C(C#N)=C(N)Oc4cc(OC(=O)Cc5ccccc5)ccc43)c2)cc1 38686667 ISMZBCMRLYRYKP-WJOKGBTCSA-N 502.570 5.940 50 10 KKGE COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 38688609 JQRIKCUEQDKDDO-HHHXNRCGSA-N 510.546 5.813 50 10 KKGE Cc1nnc(SCC(=O)Nc2ccc(SSc3ccc(NC(=O)CSc4nnc(C)s4)cc3)cc2)s1 59089563 WJJIJVQUHKYULC-UHFFFAOYSA-N 592.844 6.267 50 10 KKGE COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1COc1c(F)c(F)c(F)c(F)c1F 96438666 GOHOVXQAMHPJQH-XGHPXPSOSA-N 502.439 5.754 50 10 KKGE Cc1ccc([C@@]2(C(F)(F)F)N=C(O)N(c3ccccc3)/C(=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)S2)cc1 97984974 COYBCJHHDGOMHJ-PZVHZPSXSA-N 617.657 6.187 50 10 KKGE Cc1ccc(-n2c([C@@H](C)N(CCC(C)C)C(=O)[C@@H](Cl)c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1 100084182 UQQHKWNHOHUJFM-ZBLYBZFDSA-N 536.503 7.263 50 10 KKGE CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 100186711 HENVPZFFDYTONX-UHFFFAOYSA-N 611.562 5.918 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C\c2cc(Br)c(OCc3cccc(C)c3)c(OCC)c2)cc1 100235683 QAGWAYXGVVTCKW-KJTWNORHSA-N 569.496 6.098 50 10 KKGE N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccn1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 100475724 QTDSHLYPCFOFAZ-QGOAFFKASA-N 539.598 5.500 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1)S(=O)(=O)c1ccccc1 101012153 QRUSFRRETARPIZ-CEUNXORHSA-N 552.055 7.110 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C1=O 101231024 KPAMVQCGXURZDX-OVVQPSECSA-N 506.606 5.742 50 10 KKGE O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 101260408 DNRBYWYDPUZKTN-FABQOPTDSA-N 598.932 6.865 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)c1 101338170 VYYUVZALLHPTHE-DFKUXCBWSA-N 619.747 5.405 50 10 KKGE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C(C#N)=C2C)c1 101339266 IFODTFRGLFPMSV-DFKUXCBWSA-N 616.718 6.570 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5ccc(Cl)c(C)c5)ccc43)cc2)cc1 101378783 APKXCUJRQUMHRN-YTTGMZPUSA-N 567.041 6.738 50 10 KKGE CCc1ccc(O[C@@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)cc2)cc1 101379347 AQWHEYBMTNPTSW-MNAQKMTRSA-N 581.068 7.072 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 101379924 SPTDJDOAZIJJED-XIFFEERXSA-N 595.095 7.419 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCc1ccc(Cl)cc1 101386349 XCFHLSPUDLXECA-MGBGTMOVSA-N 597.067 6.747 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccccc4F)ccc32)ccc1OCc1ccc(F)cc1 101387226 PEPFWUZHGNIADK-RQZFFVEVSA-N 584.575 6.143 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)oc2cc(Br)ccc12 101391648 IJRFXDVSVFBPHA-HSZRJFAPSA-N 519.326 6.080 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)c3ccc(Cl)cc3Cl)CCC4)c2n1 101603704 RJHLZVCNVDMREB-AJBULDERSA-N 522.388 6.441 50 10 KKGE Cc1ccc2cccc(OC(=O)c3oc4c(c3C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC4)c2n1 101615139 ISMVKTFNMQKWRG-ZHSUKTGHSA-N 545.411 5.653 50 10 KKGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 101697873 MZQMBLXHXMCDET-KFJRIWEFSA-N 577.033 5.225 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)COc2ccc(C(C)C)cc2Br)c(OC)c1 101799554 GSTPAOWIYHGYDH-UDWIEESQSA-N 529.431 5.389 50 10 KKGE CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(Cl)cc1Cl 102932780 VDNHCDLMHVXXIW-MFOYZWKCSA-N 528.348 6.131 50 10 KKGE N#CC(C#N)=Cc1ccc(/C=C\c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 102939994 KQBABQKDLCLBGA-MSUUIHNZSA-N 531.619 7.782 50 10 KKGE COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 103796409 GHHQVMIHNYLXIN-JEPNHJGPSA-N 565.073 7.064 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)sc(C)c1C 105913056 WRXCSCIAVPONOP-DIBXZPPDSA-N 572.690 7.607 50 10 KKGE Cc1cc(Br)c([C@@H](Cl)c2ccccc2I)cc1Br 128662828 BCQXCEVCBOHZFT-AWEZNQCLSA-N 500.399 6.453 50 10 KKGE Fc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 128880520 NNIZCIVIRYBBBF-SNVBAGLBSA-N 507.842 6.659 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Br 150432069 MGBCEPCUKNUEJE-UHFFFAOYSA-N 643.442 6.183 50 10 KKGE CCCCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1OC 150476957 VILPZPNMKDWODI-RUZDIDTESA-N 632.582 6.942 50 10 KKGE CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C(C)C)C(=O)C(C#N)=C2C)cc1 214248355 DCZBINOAWUUFID-USHMODERSA-N 522.649 6.499 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)cc1 214278474 PJUKTZRKJZKDPQ-VEILYXNESA-N 530.653 6.444 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(Cc3ccco3)C(=O)C(C#N)=C2C)c(C)c1 214315186 ASWYVYGBGBQEPK-QRQIAZFYSA-N 532.600 6.022 50 10 KKGE COc1ccc(CCN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3C)C2=O)cc1 214401302 NRKCBDOVVREYMK-FSGOGVSDSA-N 558.638 5.700 50 10 KKGE Brc1ccc(I)cc1[C@H](Br)c1csc2c(Br)cccc12 232482372 RMPVPLTWVVGNIC-AWEZNQCLSA-N 586.912 7.515 50 10 KKGE Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3[N+](=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 254766758 QZTAKKBBFNQRJO-UHFFFAOYSA-N 528.638 5.691 50 10 KKGE COc1ccc(-c2nnc(SCC(=O)NN=C/C(Br)=C\c3ccccc3)n2-c2ccccc2)cc1OC 254851962 CCZQCSRHXGHOGT-YATNWBCGSA-N 578.492 5.582 50 10 KKGE CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)CI)CC[C@@]34C)[C@@H]12 254873703 DSPKLFAHUQYUBD-ZZEGAWFMSA-N 596.678 9.091 50 10 KKGE CC1(C)[C@]2(C(=O)N(CCNC(=O)[C@]34CC[C@@](C(Br)Br)([C@H]3Br)C4(C)C)c3cccc4ccccc34)CC[C@@]1(C(Br)Br)[C@H]2Br 256019270 RKNYBCOHRMGSLV-GPTMDZJOSA-N 960.076 9.661 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OCC 256028381 IOZRPNOFIGNDNY-UHFFFAOYSA-N 521.462 5.007 50 10 KKGE Clc1cc([C@@H](Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl)ccc1I 404953233 REUMBPKCHNYBTK-SNVBAGLBSA-N 500.805 7.886 50 10 KKGE Clc1cc([C@H](Br)c2csc(I)c2)c(Cl)c(Cl)c1Cl 404999163 LQVZRWMIRLAIIR-MRVPVSSYSA-N 516.840 7.451 50 10 KKGE CCO/C(=C/C=C\C(=N\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(OC)cc1 585660832 QODGRWQNLKCVSK-VCWDVFTRSA-N 568.677 8.027 50 10 KKGE Clc1ccc(Br)c(COc2c(Br)cc(Cl)cc2CBr)c1 708111006 LGFKADVHZAEIFL-UHFFFAOYSA-N 503.843 6.992 50 10 KKGE Cc1cc(C=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 725424022 NWUVCQZONHAILV-UHFFFAOYSA-N 500.986 5.415 50 10 KKGE Cc1ccc(COc2c(Cl)cc(C=NNC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2Cl)cc1 1083989173 KFWWPHKNFNQCFH-UHFFFAOYSA-N 568.504 8.411 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1084014628 OXDOALVLGZCVBA-HSZRJFAPSA-N 603.413 5.141 50 10 KKGE CCOc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 1084041434 NQVMMROGGDZRNF-HSZRJFAPSA-N 580.306 6.698 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1ccc2ccccc2c1 1084093599 ZRZYVTJLSFWXTE-HKBQPEDESA-N 552.671 6.519 50 10 KKGE COc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 1084220970 PDVRELVUPPDJGD-UHFFFAOYSA-N 523.339 5.245 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 1084575160 HMQJYZDKLJNXNK-XMMPIXPASA-N 516.411 5.358 50 10 KKGE Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1C(=NNC(=O)c1ccccc1Br)CCC2 1772743961 MJWZCISBCZPVQW-UHFFFAOYSA-N 518.367 5.588 50 10 KKGE Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2c1C(=NNC(=O)c1ccc(Cl)cc1Cl)CCC2 1772745463 AVBMQVZMBHBYAL-UHFFFAOYSA-N 582.871 8.063 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cc2Cl)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2 1772748582 LULHRVBVPSWMLP-UHFFFAOYSA-N 546.454 7.136 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 1772760394 ISGHPRCRZIDFKU-UHFFFAOYSA-N 566.919 7.087 50 10 KKGE C[C@H](CCC(=O)OCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 1848440566 GBQVUQNNJWJOKI-QKQMEKSZSA-N 625.055 9.980 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccccc2Cl)cc(Br)c1O 1865688743 ZOLMXUBIRGDEOE-LJQANCHMSA-N 515.795 5.173 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 1865689483 AMDRIAWTUKQNBI-NDEPHWFRSA-N 575.466 7.099 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc1OCC 1865691023 HFKVBZXHIIUTBS-SANMLTNESA-N 527.024 6.598 50 10 KKGE COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)c1 1865691748 ADUVZDJPCHTWFN-HSZRJFAPSA-N 529.394 5.537 50 10 KKGE CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)c(Cl)c1 1865694166 VBEOHVLAMRKFOR-QHCPKHFHSA-N 533.415 6.472 50 10 KKGE CCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(OCc3ccc(C)cc3)c(OC)c1)C(C#N)=C(N)O2 1865694814 CKAXLSBZDCLROY-HHHXNRCGSA-N 571.475 6.311 50 10 KKGE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 1865695931 VOVXXNGCGVOCGG-WJOKGBTCSA-N 570.649 6.662 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)ccc1OC(C)C 1865697604 XXLBLOJUSWETPG-AREMUKBSSA-N 545.014 6.405 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1C 1865703427 VOTADICRRLNTAO-SANMLTNESA-N 576.575 6.404 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)cc1 1865704892 HDWYDODETROWNV-AREMUKBSSA-N 527.024 6.266 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(OC(=O)c3ccccc3)c(OC)c1)C(C#N)=C(N)O2 1865704966 JCTICMRMGLVBDQ-AREMUKBSSA-N 558.997 5.732 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1 1865710729 GKZIRHDPLCQOIQ-QFIPXVFZSA-N 557.359 7.092 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1cccc(OCc2ccccc2)c1 1865711922 LMPBFEAAZFVDBZ-HSZRJFAPSA-N 520.486 5.886 50 10 KKGE COc1cccc2c3c([nH]c12)CCN(c1cc(Nc2ccc(SC#N)cc2)nc(-c2ccccc2Cl)n1)C3 1868414611 NSOLYTLPWWUKCU-UHFFFAOYSA-N 539.064 7.166 50 10 KKGE CCOc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCNC(=O)[C@H]3c3ccc(F)cc3)n2)cc1 1868528695 ZGWCZQNPTCNLMB-HHHXNRCGSA-N 540.624 5.676 50 10 KKGE COCCCN1[C@@H](C)CN(c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H]1C 1868545286 UQBAXDWMWYEYEE-GOTSBHOMSA-N 544.769 6.693 50 10 KKGE CCOc1ccc(/C=C(C(/O)=C(\C#N)c2nc(-c3ccc(C(C)(C)C)cc3)cs2)\c2ccccc2)cc1 1872750836 MFZJCGLLMBIGOZ-IZDCIWNSSA-N 506.671 8.540 50 10 KKGE COc1ccc(-c2csc(/C(C#N)=C(\O)Cc3ccc(OCc4ccccc4)cc3)n2)c2ccccc12 1872758919 WTFODESUPCPROV-OHYPFYFLSA-N 504.611 7.586 50 10 KKGE Cc1ccc(Br)cc1[C@H](Br)c1sc(Br)c(C)c1Br 1922896161 CFKGHYMLWDOADD-NSHDSACASA-N 517.906 7.137 50 10 KKGE Fc1cc(Br)cc(F)c1[C@H](Br)c1c(Br)sc(Br)c1Cl 1923071099 GQRYXOORVPMSSD-QMMMGPOBSA-N 560.277 7.452 50 10 KKGE FC1(F)CCC[C@H]1[C@H](Br)c1c(Br)sc(Br)c1Br 1924583254 HXIHKRYSNYBZSP-NJGYIYPDSA-N 517.853 6.907 50 10 KKGE Clc1cc(CN(Cc2ccccc2)[C@H](CBr)C2CC2)ccc1I 1995479246 NRAXWZRMCLUKNK-LJQANCHMSA-N 504.637 6.120 50 10 KKGE COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(OC)c2)ccc1OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2069497259 ZYKHUWILCDTKGB-UHFFFAOYSA-N 975.115 11.485 50 10 KKGE Brc1csc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2085495307 PTVXGNPGEPRKEW-NSHDSACASA-N 647.644 8.045 50 10 KKGE C[C@H]1Cc2cc([C@H](Br)c3csc(I)c3)cc(Br)c2O1 2090467898 RUVSVLHTGDLILS-CPFSXVBKSA-N 514.020 5.923 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2C[C@H]2C2CCOCC2)c1Br 2135275123 AVIDNNCGHPXXAQ-QXFUBDJGSA-N 537.937 6.534 50 10 KKGE Cc1cc([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)oc1Br 2141467774 BYKUXHZWHZERIT-LLVKDONJSA-N 601.152 7.729 50 10 KKGE Cl[C@H](Cc1ccc2c(c1)CCO2)c1c(Br)sc(Br)c1Br 2168664431 ZLEAPGCVMYIIQX-SECBINFHSA-N 501.465 6.493 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@]12CCC[C@@H]1OCC2 2206394569 IBTVHWIQBHAODJ-CUOATXAZSA-N 552.326 6.976 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@H]2C[C@@]23CCCOC3)c1Br 2206400767 DXNOCTJSDHBMHL-OVAUKMOZSA-N 596.777 6.989 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1ccc(I)c(Cl)c1 2206572951 YRCIFBLQRHCCDI-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Cc1ccc([C@H](Br)c2cc(Br)c(Br)cc2F)cc1I 2225620725 YBLICYDRMLKPKD-AWEZNQCLSA-N 562.840 6.748 50 10 KKGE Cc1c(Br)csc1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2226126160 PAMLQZNWIHBCHQ-NSHDSACASA-N 661.671 8.353 50 10 KKGE CCOCc1cc(Br)c([C@H](Br)c2cc(Cl)ccc2Br)s1 2233021526 NKDDOXHGRSXUJN-CYBMUJFWSA-N 503.481 6.947 50 10 KKGE C[C@@H](CCn1c([C@@H](C)Cl)nc2cc(Br)c(Br)cc21)N(C)Cc1ccccc1 2234060723 YBKDLFGDBHTOGH-LSDHHAIUSA-N 513.705 6.772 50 10 KKGE Cc1ccc(I)c([C@H](Br)c2ccc3c(c2Br)CCO3)c1 2241000372 HIYVPAFRXOVZLU-MRXNPFEDSA-N 507.991 5.781 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@H]2COC3(CCC3)C2)c1Br 2257224903 UGMAMHVPSXTYRP-POYBYMJQSA-N 523.910 6.431 50 10 KKGE CC(C)(C)OC(=O)N1CCC[C@](CI)(OCc2cc(Br)ccc2Cl)C1 2263389844 UQRANDJGGXPCKI-GOSISDBHSA-N 544.655 5.824 50 10 KKGE Clc1ccc([C@H](Cl)Cc2cc(Br)cc(Br)c2)cc1I 2277954435 FBWMRPXIZUBFOV-CYBMUJFWSA-N 534.844 6.992 50 10 KKGE COc1c(C)cc(Br)cc1[C@@H](Br)c1c(F)cccc1I 2282896843 MVJMCKPDEPTAKT-CQSZACIVSA-N 513.970 5.994 50 10 KKGE COc1cc(CCl)cc(Oc2c(I)cc(Cl)cc2I)n1 2295661475 WUPUNTRJMVTOPI-UHFFFAOYSA-N 535.934 5.484 50 10 KKGE Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)SC2=C(C#N)C(=O)Nc2ccccc2Cl)cc1 2296506830 GZUKVOHJCNMDHX-QHCPKHFHSA-N 508.430 6.367 50 10 KKGE Cc1cc(Br)ccc1[C@H](Br)c1sc(Cl)cc1I 2301083994 NVZOVKOEJYWXGL-NSHDSACASA-N 506.428 6.561 50 10 KKGE O=C(c1ccc(Cl)cc1I)N(Cc1ccccc1)[C@H](CBr)C1CC1 2301797623 ZQKNLCYYSYVKFT-GOSISDBHSA-N 518.620 5.761 50 10 KKGE COc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccc(C)cc1 2313518893 YKXZPPFABCAJHZ-UHFFFAOYSA-N 569.355 5.641 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 2313631815 WJGSCBUIXPDNEA-UHFFFAOYSA-N 506.172 7.065 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(C)cc2)cc1 2314414749 LATBQAZZLVNJMF-UHFFFAOYSA-N 506.606 5.486 50 10 KKGE COc1ccc(N2C(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 2314592792 BUZOWZGJDPORHG-SSOJOUAXSA-N 586.035 6.671 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)C(C)=C(C#N)C1=O 2314620189 LWLVYCIXVAUFKN-UHFFFAOYSA-N 566.658 5.510 50 10 KKGE CCN(C[C@](C)(CI)OCc1c(Br)cccc1Br)C(=O)OC(C)(C)C 2318204646 XSNBHEGKYGNTMY-SFHVURJKSA-N 591.122 6.179 50 10 KKGE COC(=O)c1c(NC(=O)C(C#N)=Cc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Br)cc1 2329703162 MTTYSKRYXQQLPE-UHFFFAOYSA-N 541.423 5.836 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C(=O)OC(C)C)o2)ccc1OCc1c(Cl)cccc1Cl 2331049722 LZOOIDGMWNDVEB-UHFFFAOYSA-N 500.378 7.193 50 10 KKGE Cl[C@@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 2333303638 NIWXDYXGLFDDTN-JTDWZEDRSA-N 536.327 7.453 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(I)cc1 2339648099 HTVAPAPIHJBERX-LBPRGKRZSA-N 562.840 6.748 50 10 KKGE COc1c(Br)cc(C)c([C@@H](Br)c2cc(Br)cs2)c1Br 2339657134 VDJMFQNTNCPDBJ-NSHDSACASA-N 533.905 6.837 50 10 KKGE Fc1c(Br)cc(Cl)c([C@@H](Br)CC(F)(F)C(F)(F)F)c1Br 2362226254 ULDSWPNXPDXMNV-BYPYZUCNSA-N 513.295 7.028 50 10 KKGE C[C@]12C[C@H](C1)[C@H]([C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br)CO2 2362919486 VNLMNUMRGAGGFU-CHFCKMNRSA-N 552.326 6.832 50 10 KKGE CCc1ccc(OCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)c(Br)c1 14661750 PHJSWKCXDZKSBM-UHFFFAOYSA-N 519.480 5.212 50 10 KKGE CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14768606 YDSWVMWJTIKXEM-MUUNZHRXSA-N 507.590 5.533 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 38649822 CVQCYFKTMHZYSH-GDLZYMKVSA-N 510.634 6.484 50 10 KKGE COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)ccc32)c1OC 38658996 AXESFACHDCTRQJ-CLYVBNDRSA-N 514.578 5.418 50 10 KKGE Cc1cc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc([N+](=O)[O-])c1C 59305181 WTPOSJKAWGDZHF-BIZUNTBRSA-N 518.573 7.002 50 10 KKGE CCCCCCOc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2Cl)C(=O)CCl)cc1 97915154 MIBQFJUSRSCGCL-MUUNZHRXSA-N 533.540 7.057 50 10 KKGE CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Br)cc2Cl)cc1Br 100172637 CAJFFCYUHUSKOO-UHFFFAOYSA-N 562.686 5.664 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 100234130 KSXUNNSIVAXMEF-FMLCXWAVSA-N 560.094 6.689 50 10 KKGE N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 101034038 OMDWGLVVUXXVPQ-KGENOOAVSA-N 533.012 7.487 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)c(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 101246255 YXLGQZHXFYPXBO-NNHPPCHPSA-N 552.483 6.766 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(Cc3ccccc3)C(=O)C(C#N)=C2C)c(C)c1 101334940 PMCNYTZIEZXLBP-RDRPBHBLSA-N 528.612 6.039 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)c(C)c1 101334956 KOACHACESRHICB-UXHLAJHPSA-N 556.666 6.675 50 10 KKGE COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc21 101361052 SDZWKJZEADUQDO-SFHVURJKSA-N 600.669 7.165 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(F)c(F)c(F)c(F)c3F)ccc2[C@@H]1c1ccc(Cl)cc1Cl 101365095 ZLQKAMDRYHBEAL-KRWDZBQOSA-N 557.258 5.891 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)cc1 101377011 GRPBHYGAEPDBCG-FMCWMYDGSA-N 536.672 7.390 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(OC(=O)COc5c(F)c(F)c(F)c(F)c5F)ccc43)cc2)cc1 101378920 JYIOAWHARACVDH-VWLOTQADSA-N 608.519 6.472 50 10 KKGE CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(C)cc3)c2)cc1 101382176 JFOYXHWKXFXOJD-JGCGQSQUSA-N 546.623 6.800 50 10 KKGE CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccc(F)cc3)c2)cc1 101384378 QETNMEUILNDZJN-MGBGTMOVSA-N 578.640 6.905 50 10 KKGE CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 101385424 AGRCQABGUBTTHY-MGBGTMOVSA-N 576.649 6.809 50 10 KKGE CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 101385681 LALBAJFGPSFTPE-HKBQPEDESA-N 583.040 6.764 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C4CCC(CCCC)CC4)ccc32)cc1 101397240 YJVLGRKFYVLIAJ-OWXYMYPRSA-N 544.736 8.156 50 10 KKGE Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 101601857 YRKAGRGCPSVUFU-WCMJOSRZSA-N 569.323 6.545 50 10 KKGE Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101612115 FOIJTFTWIVUGPO-MUFRIFMGSA-N 521.788 5.431 50 10 KKGE CCCCc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1 101614671 VRFXLBCFEGOCRX-MHDJOFBISA-N 535.460 6.172 50 10 KKGE COc1cc(/C=N/NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)ccc1OCc1c(Cl)cccc1Cl 101766817 UXSGZNMKNUXENM-ATZGPIRCSA-N 622.387 7.950 50 10 KKGE CCOC(=O)c1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 102665797 ABFFFRVBNOEEKX-ABPPERTMSA-N 532.021 5.582 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 103725297 CRLBSZOGDAMXFV-WIKZRCHHSA-N 568.718 6.634 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(Br)cc2)cc1 103741534 NDUZOJOKJWMBQF-GPSDDGMOSA-N 563.433 5.731 50 10 KKGE C[C@H]1CC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)=NN1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 105322871 DHDKNHJVZCDZDM-DHUJRADRSA-N 636.760 6.847 50 10 KKGE CCOc1ccccc1N/C(SCc1ccc(Cl)cc1)=C(\C#N)C(=O)NCCc1ccc(OC)c(OC)c1 105423078 MILHBKSQTLCJFU-FAJYDZGRSA-N 552.096 6.195 50 10 KKGE O=C(CCCC(=O)NNC(=O)COc1ccc2cc(Br)ccc2c1Br)NNC(=O)COc1ccc2cc(Br)ccc2c1Br 150428107 QZJHHTDGKDLUMC-UHFFFAOYSA-N 844.149 5.966 50 10 KKGE CCCOc1ccccc1/C=C\C(=O)Oc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1OCC 206957692 JSKIWFRHSLTIRQ-IPDXJXAFSA-N 500.551 5.309 50 10 KKGE O=C(N/N=C/[C@@H]1C=CC(Cl)=C[C@@]1(Cl)SSc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 211661195 HYRUIRQBLFKHSR-NXCQOTGKSA-N 650.440 8.157 50 10 KKGE CC[C@H](C)N1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)C1=O 214262506 JFHBVUADKDWZFC-ZXTIZPPASA-N 506.606 5.562 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C[C@@H]3CCCO3)C(=O)C(C#N)=C2C)c(C)c1 214323690 WCLVQLBAKAGDQK-QSRSGOJESA-N 550.659 5.798 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 214358093 GZWXJVSWQDNIHN-VEILYXNESA-N 518.617 5.947 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)O2 214377526 PPIXAHFLLAGPRE-KIKHOGTISA-N 540.623 5.964 50 10 KKGE Clc1ccc([C@H](Br)c2cc(Br)ccc2I)cc1Cl 236066186 KYGSXQQBGISNOY-ZDUSSCGKSA-N 520.817 6.845 50 10 KKGE O=C(CCCCC(=O)NN=C/C(Br)=C/c1ccccc1)NN=C/C(Br)=C/c1ccccc1 252616392 KADANKCNZXXABG-VEDLSJCVSA-N 560.290 5.623 50 10 KKGE C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1ccc(Cl)cc1Cl 252620667 MJIVAZHVGWLXOR-INIZCTEOSA-N 503.459 5.322 50 10 KKGE CCCCCCCCCCCCC(=O)NN=Cc1cc(OC)cc(C=NNC(=O)CCCCCCCCCCCC)c1O 252629103 TYOASVQMBCLEOW-UHFFFAOYSA-N 600.889 8.923 50 10 KKGE Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)CCCSc1nc2ccccc2s1 253576501 VXQKNTVORLZUOJ-TURZUDJPSA-N 518.712 5.803 50 10 KKGE O=C(Oc1c(Br)cc(Br)cc1C=NNC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(F)c1 254753135 RVPBLOHUDYOIJY-UHFFFAOYSA-N 626.276 5.956 50 10 KKGE COc1ccc(O)c(C=NNC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c1 254840785 OCPQRFLFXGVMLB-SFHVURJKSA-N 642.523 5.138 50 10 KKGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3)s2)cc(Br)c1OC(C)C 256028441 MJQNRANOEVWCQI-UHFFFAOYSA-N 535.489 5.396 50 10 KKGE COc1ccc(CC[N@+](C)(CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)CCSS(C)(=O)=O)cc1OC 256206858 WUWCBXBAYBCKCW-CDZUIXILSA-N 593.832 5.301 50 10 KKGE in-vitro Cc1cc(C)c([C@H](Br)c2cc(I)ccc2Br)c(C)c1Br 380039050 MLYNMGMBMZUERU-MRXNPFEDSA-N 572.904 7.226 50 10 KKGE Fc1cc(Br)c([C@H](Cl)c2cc(I)ccc2Br)c(F)c1F 398458605 KHLRUYLKHWQIHE-LLVKDONJSA-N 540.342 6.562 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 616584163 AQLURWHBCUUICR-ADZDYIEVSA-N 710.852 7.267 50 10 KKGE CC(C)(C)OC(=O)NCCN1C[C@H](c2ccc(CCO[Si](C)(C)C(C)(C)C)cc2)Cc2ccccc21 616671976 GAUFSAPMCPJOJZ-AREMUKBSSA-N 510.795 6.922 50 10 KKGE CC(C)(C)[Si](C)(C)OCCc1cccc([C@H]2CNc3ccccc3N2CCO[Si](C)(C)C(C)(C)C)c1 616691823 PCZQXTNZMYPBGI-MUUNZHRXSA-N 526.914 8.246 50 10 KKGE Cl[C@H](c1ccc(I)c(Br)c1)c1cc(Br)cc2c1OCC2 721574564 ZWNYXAWCBOAXBP-CQSZACIVSA-N 528.409 6.079 50 10 KKGE Fc1cccc([C@@H](Br)c2csc3c(Br)cccc23)c1I 721704825 KZRVVBSNPHOZLY-CYBMUJFWSA-N 526.006 6.892 50 10 KKGE C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 1081011460 DIMYHZDULFSWLS-AGXHHVTNSA-N 641.142 11.150 50 10 KKGE in-vitro CCOc1ccc([C@@H](O)CCC(=O)NN=Cc2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)cc1 1083962965 QHCVSRWXSSQDFH-HKBQPEDESA-N 594.539 7.343 50 10 KKGE CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 1084008283 HTXGOZNRQGWJCS-VCHYOVAHSA-N 514.217 5.939 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc2c(c1)OCO2 1084018872 RVGHZRCQKMQEDO-KEBDBYFISA-N 535.394 6.010 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 1084059179 MBKPDJSDKDJLGQ-LZYBPNLTSA-N 570.687 8.477 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@H](O)c2ccc(OCC)cc2)ccc1OCc1cccc2ccccc12 1084097009 PLIUOVKALLTMAF-HKBQPEDESA-N 522.645 6.510 50 10 KKGE C=CCc1cc(C=NNC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 1084222084 FFZXLGVYOQULHC-MUUNZHRXSA-N 560.647 5.454 50 10 KKGE COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccc(I)cc1 1084281778 BMCOGAZZSPAVPS-CXUHLZMHSA-N 613.666 7.385 50 10 KKGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 1084412888 BSVACHSOTLATGY-UHFFFAOYSA-N 566.054 5.712 50 10 KKGE Cc1cc(C=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)n1-c1ccccc1F 1084527199 CCHDNYBLRWGHJV-SSEXGKCCSA-N 526.637 5.771 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 1084585927 GSBJIHGFAKXGQH-MHWRWJLKSA-N 547.192 6.789 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 1084626960 NEPIYITXBAYXJS-QFIPXVFZSA-N 521.828 6.198 50 10 KKGE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2 1865690326 OPCRRNQLDPMCCV-HHHXNRCGSA-N 545.470 6.988 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2ccc(Cl)cc2)cc1OCC 1865690779 AXYGKCVFCSGXBT-NDEPHWFRSA-N 571.077 6.666 50 10 KKGE CCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3CCC)cc1OC 1865692295 KXZFALZCZRTHJG-QHCPKHFHSA-N 567.484 6.137 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(Cl)c(Cl)c2)cc1 1865694251 RTFOJXOCEJWMLG-VWLOTQADSA-N 547.442 6.862 50 10 KKGE CCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2cccc3ccccc23)c1 1865694453 VOQUUONMYDKNOT-GDLZYMKVSA-N 528.612 6.708 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2Cl)cc1OC 1865694954 GOFHGXVVBGIDPO-RUZDIDTESA-N 512.997 5.877 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)cc1OC 1865696495 GLFBUDROWITYGF-OAQYLSRUSA-N 564.267 5.935 50 10 KKGE CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc3ccccc23)cc1 1865702309 SDSXQIUUUUHFEK-QHCPKHFHSA-N 503.528 6.109 50 10 KKGE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3C)cc2)cc1 1865703084 MTBVGTLORDLZAS-DEOSSOPVSA-N 516.523 6.305 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c3c2[C@H](c2ccc(C(=O)O)cc2)C(C#N)=C(N)O3)cc1 1865709114 OCBTUTDHFHIWLE-HSZRJFAPSA-N 547.398 5.830 50 10 KKGE COc1ccc(-c2nn(Cc3ccccc3Cl)c3c2[C@@H](c2cc4c(cc2[N+](=O)[O-])OCCO4)C(C#N)=C(N)O3)cc1 1865710421 XSCLCYLVBIQBTH-VWLOTQADSA-N 571.977 5.158 50 10 KKGE C[C@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)Nc1ccc(SC#N)cc1 1867040572 SPUFPDYAVFHSPY-IFXJQAMLSA-N 515.458 5.144 50 10 KKGE N#CSc1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)Cc2ccc3nc(O)c(Cc4ccccc4)cc3c2)cc1 1867089441 SLMUCSPMNWSZDB-HKBQPEDESA-N 590.680 6.152 50 10 KKGE CC/C(=C\C(=O)N[C@@H](CC)C(=O)Nc1ccc(SC#N)cc1)c1cc(Br)ccc1OC 1867115093 VLGLACAMHNWDRK-IURSYISVSA-N 502.434 5.358 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCO[C@@H](c4ccc(Cl)cc4)C3)nc(-c3ccccc3)n2)cc1 1868364971 JTXLPORHMFYDDB-XMMPIXPASA-N 500.027 6.692 50 10 KKGE N#CSc1ccc(Nc2cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)nc(-c3ccccc3Cl)n2)cc1 1868414433 MGAZXDDIEPBYTA-VWLOTQADSA-N 557.054 6.199 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(F)cccc5[C@@H]4C3)nc(-c3cccnc3)n2)cc1 1868565968 RYLUJBGSMVLMLI-VWLOTQADSA-N 509.614 5.414 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3c(C)c(C)cc(C)c3C)cs2)ccc1OCC(=O)N(CC)CC 1872792632 IYOBHZMHZWXGQQ-ZVHZXABRSA-N 517.695 6.754 50 10 KKGE O=C1c2ccccc2C(=O)N1C[C@H](Br)CCc1ccc(Br)cc1Br 1905344459 VIIKXQJGNFKYHE-CYBMUJFWSA-N 516.027 5.204 50 10 KKGE Clc1c(Br)sc(Br)c1[C@H](Br)c1ccc(Br)cc1 1923050608 XIYRERYJHKQVMM-MRVPVSSYSA-N 524.297 7.173 50 10 KKGE CCC1(C)CC([C@H](Br)c2c(Br)sc(Br)c2Br)C1 1924568067 BGQJHSSGTGORJB-XMDDQKSNSA-N 509.927 7.298 50 10 KKGE Brc1sc(Br)c([C@H](Br)[C@@]23CCOC[C@H]2C3)c1Br 2018506807 FQDHHHXQWBVTIB-ROXVQFJHSA-N 509.883 5.898 50 10 KKGE CC1([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCC1 2025784548 WMLXXZRMDXCWQG-LLVKDONJSA-N 554.740 7.363 50 10 KKGE O=C(NC(=CNc1ccc(Cl)cn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 2040588064 NGMKTQFOZVIVML-UHFFFAOYSA-O 535.007 6.370 50 10 KKGE C[C@H]1O[C@@]2([C@@H](Br)c3c(Br)sc(Br)c3Br)CC[C@H]1C2 2078504364 CESJZXLYCDKLLX-NUMBIYFWSA-N 523.910 6.429 50 10 KKGE Cc1c(Br)ccc([C@H](Br)c2cc(Br)ccc2Br)c1Br 2138847886 BJKIMCLCVAFZLQ-AWEZNQCLSA-N 576.746 7.529 50 10 KKGE Cc1c(Br)ccc([C@H](Cl)c2cccc(Br)c2Br)c1Br 2138870873 KVEICJTZRGCFBD-CQSZACIVSA-N 532.295 7.373 50 10 KKGE Cl[C@H](c1csc(Br)c1Br)c1cc(Br)cc2c1OCCC2 2150345103 ACUINYOOQUVPKB-LBPRGKRZSA-N 501.465 6.689 50 10 KKGE BrCC1CCC2(CC1)CCN(c1ncc(I)cc1Br)C2 2189906218 HHAABZQDGNWOBU-UHFFFAOYSA-N 514.043 5.230 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Br)c2cc(Br)ccc2F)c1Br 2201070256 MZMNYTWOVNRICE-OAHLLOKOSA-N 529.867 7.214 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2CC23CCOCC3)c1Br 2206396237 UQHXVTAIIQZMOP-WRWORJQWSA-N 596.777 6.989 50 10 KKGE Cc1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1Cl 2206398684 XQNGHVFQDILGLS-GFCCVEGCSA-N 611.191 8.183 50 10 KKGE Cc1cc(Cl)ccc1[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206405255 IFNUKOWGKPRUBY-CQSZACIVSA-N 566.740 8.027 50 10 KKGE Brc1ccc([C@H](Br)c2ccc3c(c2)CCCO3)c(I)c1 2207271722 KETKSGAXINVOHB-MRXNPFEDSA-N 507.991 5.863 50 10 KKGE Cc1ccc([C@H](Br)c2c(Br)sc(Br)c2Cl)cc1I 2217863541 DYFHNGDYYUFAQC-VIFPVBQESA-N 585.324 7.324 50 10 KKGE Clc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)c(Cl)c1Cl 2232514403 UYELOJHOBUMWIV-LLVKDONJSA-N 589.707 8.105 50 10 KKGE Clc1cc([C@@H](Cl)c2c(Br)cc(Cl)c(Cl)c2Cl)ccc1I 2232514833 WZMFCKZIFMOEKQ-LLVKDONJSA-N 545.256 7.996 50 10 KKGE Brc1ccc(I)cc1[C@@H](Br)c1ccc2c(c1Br)CCO2 2238083350 XOAZUUJUJYKKLL-HNNXBMFYSA-N 572.860 6.235 50 10 KKGE Brc1ccc(I)c([C@@H](Br)c2ccc(C3CCC3)s2)c1 2271956576 VRLIFGBYDBGNJP-OAHLLOKOSA-N 512.048 6.867 50 10 KKGE Fc1cc(Br)ccc1CO[C@H](CI)c1ccccc1Br 2281414908 UFQBBQXWJAIVKB-OAHLLOKOSA-N 513.970 6.044 50 10 KKGE Cc1sc(Br)c([C@H](Cl)c2c(F)cc(Br)c(F)c2Br)c1C 2288357480 VNAPINREFRLOEK-NSHDSACASA-N 509.435 7.259 50 10 KKGE COc1c(Br)cc(Cl)c(C)c1[C@@H](Br)c1ccc(I)cc1 2295261899 CIPPWBVQZSXABZ-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Cc1c(Br)ccc([C@@H](Br)Cc2cc(Br)cc(Br)c2)c1Br 2295267938 SEVQBXIWIRIKDE-AWEZNQCLSA-N 590.773 7.724 50 10 KKGE CCCCOc1cccc(NC=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2295891596 XIFCPPKPGKHOTB-UHFFFAOYSA-N 522.424 6.834 50 10 KKGE COc1cc(C(=O)c2cc(Cl)ccc2NC=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC 2295934316 ABFIIKNNPIJEQR-UHFFFAOYSA-N 600.052 6.803 50 10 KKGE O=C(Cn1c(-c2ccccn2)nc2ccccc21)NN=Cc1cc(Br)ccc1OC(=O)C=Cc1ccco1 2297295801 ZNZDBEZUFAVICK-UHFFFAOYSA-N 570.403 5.223 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 2313521599 YWSLFEOVXUQMRS-UHFFFAOYSA-N 517.250 8.106 50 10 KKGE Cc1c(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Br)cc1 2313570907 IWMCURIDBNDPEM-UHFFFAOYSA-N 539.260 7.613 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)OC 2313571414 VWMPRBZLUMCIIY-UHFFFAOYSA-N 528.186 5.252 50 10 KKGE COCCCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314414493 ASAOZZZOFKADRL-UHFFFAOYSA-N 527.024 5.831 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1OCC(=O)Nc1nccs1 2314489977 UTCANOGVBNRJBZ-UHFFFAOYSA-N 592.658 6.616 50 10 KKGE CC(=O)OCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)C(C)=C(C#N)C1=O 2314620598 SEFBMCGOEZCTBR-UHFFFAOYSA-N 566.658 5.428 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccccc4Cl)ccc32)ccc1OCc1ccccc1Cl 2314643263 MFJYOYLOWAFSFO-XIFFEERXSA-N 613.497 7.808 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@H](Br)c1occc1Br 2317420699 RPFCDXAASGGFAV-JTQLQIEISA-N 505.801 6.499 50 10 KKGE CCOc1cc(C=C(C#N)c2nc(O)c3ccc(C(=O)OC)cc3n2)ccc1OCc1ccc(Br)cc1 2331047045 RQXGIFSEMWOCKO-UHFFFAOYSA-N 560.404 5.926 50 10 KKGE N#CC(=Cc1ccc(OCc2ccccc2Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2331464400 KLBGAMPWMXWYEK-UHFFFAOYSA-N 521.041 8.899 50 10 KKGE COc1cc(-c2csc(C(C#N)=Cc3ccccc3OCc3ccccc3Cl)n2)c(OC)cc1Cl 2331471137 POUWFBHVNUCZEP-UHFFFAOYSA-N 523.441 7.777 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc(C)c(Cl)cc3OC)cs2)ccc1OCCc1ccccc1 2331474225 OXPKQDXXXDLQLU-UHFFFAOYSA-N 517.050 7.475 50 10 KKGE COc1cc(C)c(-c2csc(C(C#N)=Cc3ccc(OCCCc4ccccc4)c(OC)c3)n2)cc1C 2331485766 XWRQOGNWJUYLCJ-UHFFFAOYSA-N 510.659 7.520 50 10 KKGE Cc1cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)cc(C)c1Br 2336074495 GTYYYWHHBYQNCX-QFIPXVFZSA-N 539.105 7.892 50 10 KKGE C[C@@H]1CCC[C@](CBr)(OCc2ccc(I)c(Br)c2)C1 2350054382 ASFNKVKACBQMBZ-ABAIWWIYSA-N 502.028 5.914 50 10 KKGE Fc1ccc([C@H](Br)c2c(Cl)cc(Br)c(F)c2Br)cc1Cl 2362228100 BCHJHDDCOOPCEE-NSHDSACASA-N 509.797 7.281 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Cl)cc1Br 2365218997 OJFPMFWHFNMDFD-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE FC(F)(F)[C@H]1CN(Cc2ccc(I)c(Br)c2)C[C@@H]1CBr 2377345174 UZFYXVLGLYVYFO-UWVGGRQHSA-N 526.960 5.059 50 10 KKGE CN(C)c1ccc(/C=N/N(C(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccccc2)cc1 27520573 ICOKCUNENBSSEL-UZWMFBFFSA-N 518.444 6.363 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@H]1c1cccc(Oc2ccccc2)c1 38660848 XIXRUVZAONSSMH-HHHXNRCGSA-N 505.486 5.824 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OCC 38679324 PFMVNVXBVJKJNN-GDLZYMKVSA-N 514.578 5.303 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc32)cc1OCC 38683783 FXEPOEBHBRECHA-AREMUKBSSA-N 504.970 5.965 50 10 KKGE COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCC(C)C)c(OC)c2)cc1 38684267 FDFTUOHFMXYSQZ-GDLZYMKVSA-N 514.578 5.105 50 10 KKGE Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/NC(=O)c1cncc(Br)c1)CCC2 40823048 SJPRTJIEWLMJMR-MWAVMZGNSA-N 517.383 5.621 50 10 KKGE CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cs2)ccc1OCCc1ccccc1 40924603 UQVDCNQTJQPDHI-RDRPBHBLSA-N 517.676 6.073 50 10 KKGE CC(C)(C)c1ccc(C(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 48573406 VJLRMQWZBXFPPH-FDAWAROLSA-N 515.451 7.243 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)N/N=C1/C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 59167228 CXIZZFRYTIHOKD-CCFHIKDMSA-N 512.566 5.089 50 10 KKGE CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 59305172 SBDHUCTZJNQWLL-BIZUNTBRSA-N 504.590 5.734 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 100154390 LWXBXNPMSQGDIF-UHFFFAOYSA-N 512.459 5.057 50 10 KKGE CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 100212721 QFGLALXFYXKHCZ-IBGZPJMESA-N 584.536 5.299 50 10 KKGE CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)NNC(=O)COc1ccc(Br)cc1Br 100261268 RWTWJUKMNILMHR-KSSFIOAISA-N 542.268 5.109 50 10 KKGE COc1ccc(/C=N/NC(=O)c2ccnn2Cc2cccc(Br)c2)cc1CSc1ccccn1 100292795 OBOCLMFBYAJFSN-RWPZCVJISA-N 536.455 5.154 50 10 KKGE Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)NCc2ccco2)cc1C 101242682 FLZJHXPNNARZDK-GFPZRUSRSA-N 526.445 5.946 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3Cl)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243361 KLBDIGNUQALGRI-PDLXOCGWSA-N 564.538 7.420 50 10 KKGE CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 101243858 YBKLRKOKAAHFTQ-SNFXUIRRSA-N 515.610 5.528 50 10 KKGE C=CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(C)cc3)cc2)cc1 101293497 WDFJOFRJHPNNQG-YTTGMZPUSA-N 544.607 6.576 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OC 101307535 NNROVPDJYWHMSP-MHZLTWQESA-N 587.426 6.515 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@H]1c1c(Cl)cccc1Cl 101371027 RWYNFJWCKBJMGY-HHHXNRCGSA-N 527.407 6.949 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OCC 101374536 NVBFWXFXVZBPJE-MUUNZHRXSA-N 567.469 7.398 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc1OCC 101374788 NRKIMCZNPBSDCK-PMERELPUSA-N 547.051 6.674 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 101379080 MDVFKZXYFDGNHB-IFQLAXCMSA-N 569.444 7.409 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3[N+](=O)[O-])ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 101380784 PISRWFZYMNEDBH-NDEPHWFRSA-N 537.503 5.750 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(F)cc4)ccc32)ccc1OCc1ccccc1F 101388854 JBOIATUPQFLZSW-YTTGMZPUSA-N 584.575 6.145 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)ccc1OCc1ccc(F)cc1 101389481 WTOAWVNNHPYSBA-MGBGTMOVSA-N 594.639 6.623 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)oc2cc(Br)ccc12 101391534 LPPUDDHHEJEVLK-HSZRJFAPSA-N 580.232 6.704 50 10 KKGE CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1OC 101393192 KDIXQYBGOLLPER-HKBQPEDESA-N 566.654 7.373 50 10 KKGE CC(C)CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cccc(Cl)c5c4Cl)ccc32)c1 101396340 JNSANDWWBPEOTG-VWLOTQADSA-N 579.505 8.070 50 10 KKGE Cc1c(C(=O)Oc2ccc3ccccc3c2)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 101614729 UPXVGDSIJPBSBR-KPGMTVGESA-N 530.396 5.950 50 10 KKGE Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)Nc5ccc(I)cc5)c(C)c43)coc2c1 101620320 PVYAHUCOPBFMDZ-NJZRLIGZSA-N 595.437 6.207 50 10 KKGE CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2Br)c(OC)c1 101799158 XJMPYHZEWHNAFL-HMMYKYKNSA-N 529.431 5.354 50 10 KKGE N#C/C(C(=O)Nc1cccc(Cl)c1)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 102666263 ZIKFWPOTFPUJON-KVHSSYOWSA-N 528.848 6.712 50 10 KKGE N#C/C(=C1/N[C@](c2ccccc2)(C(F)(F)F)[C@@H](C(=O)c2ccc(Br)s2)S1)c1ccccn1 102735388 ASDUWEGXRQTMRO-XSRHZRNCSA-N 536.398 6.143 50 10 KKGE N#C/C(C(=O)Nc1ccc(Oc2ccccc2)cc1)=C(\Nc1ccc(Cl)cc1)SCC(=O)NCc1ccccc1 102931656 DLDIFMBBGQXETR-PNOGMODKSA-N 569.086 6.968 50 10 KKGE CCOC(=O)/C(C#N)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Br)cc1 103741377 BUPJSHNQONTXLZ-ONZPZFSWSA-N 536.245 5.201 50 10 KKGE CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(I)cc1 103796856 PMFZXUNZVWPOGV-CCVNUDIWSA-N 619.253 6.542 50 10 KKGE COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OCc1ccccc1F 103878421 LEEODTJOICGMHB-KVSWJAHQSA-N 576.216 6.448 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 103880989 HYWVRYQLEGTQOP-QXUDOOCXSA-N 609.480 7.466 50 10 KKGE O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1Cl 104035589 IIJFFLRSUBBVGP-AJBULDERSA-N 531.102 7.795 50 10 KKGE CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 104990750 XLWZDJLETPOSNF-GXVXDJONSA-N 580.556 8.194 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2o1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566538 YVJSTAFUVOYXJR-NFFVHWSESA-N 527.518 5.724 50 10 KKGE Cc1ccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)cc1 105633236 PQPMWCGXNSLCFM-WYMPLXKRSA-N 523.552 5.101 50 10 KKGE Cc1ccc(C(=O)N/C(=C\SCC(=O)c2ccccc2)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 106607058 HCOWLIIKELUDOE-ROMHNNFLSA-O 572.690 7.134 50 10 KKGE O=[N+]([O-])c1cc(Br)c(Oc2cc(Br)ccc2CCl)c(Br)c1 110396606 XUKJIWFAUQENED-UHFFFAOYSA-N 500.368 6.413 50 10 KKGE Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1 150422119 MKVRRKXBURSIHJ-UHFFFAOYSA-N 700.247 5.619 50 10 KKGE CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2Br)cc1Br 150430828 ADHILXMFIFNLGB-UHFFFAOYSA-N 666.230 5.648 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 150478081 OUJAXOQYGJDQMH-HKBQPEDESA-N 684.403 9.495 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCCC4)cc3s2)c([N+](=O)[O-])c1)c1cccc(Br)c1 164015069 TWVVZCZFXGORKF-ZSNJKBEMSA-N 743.665 7.761 50 10 KKGE C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCC[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@H](CCO)O[Si](C)(C)C(C)(C)C 196101873 LOAKRBOMRITVRR-HAROIHRISA-N 838.518 13.783 50 10 KKGE in-vitro CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)ccc1OCc1ccccc1F 205671030 DSROXESRPMPSGK-JYUCFETQSA-N 592.623 6.649 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 214276657 ZHVTZGYNQLQJLU-GTWSWNCMSA-N 556.666 6.757 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 214332548 XNDADFVKPUISCB-NVYRNGPJSA-N 534.619 7.046 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCCC3)C(=O)C(C#N)=C2C)cc1 214363605 YBOMOELJMXUYMP-USHMODERSA-N 520.633 6.253 50 10 KKGE C[C@H](CCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Cl)cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 253537569 PRCMMETVWMEYKS-MIQGPBKMSA-N 649.070 6.282 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC(=O)c1ccc(Br)cc1 254500274 UMFJCFIFVQRQFP-UHFFFAOYSA-N 609.561 7.310 50 10 KKGE O=C(COc1c(Br)cc(Br)cc1Br)NN=Cc1ccc(OC(=O)c2ccco2)c(I)c1 254679471 MGUSIBPQWNOLOL-UHFFFAOYSA-N 726.941 5.920 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C/C=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254865205 ZSQUQKITEGEFQF-BEEPDBPDSA-N 525.678 6.148 50 10 KKGE Cc1c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2 256018572 SFOMDZGIDJXNRT-DEAAZAIKSA-N 542.599 7.274 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@@H](Br)c1sccc1I 310237371 AMIFKKPHBJFSIL-SNVBAGLBSA-N 510.391 6.392 50 10 KKGE C[C@H](Br)C[C@H]1CCCCN1C(=O)c1cc(Br)ccc1I 312379337 MYOLYCLHPAHWIE-CMPLNLGQSA-N 515.027 5.222 50 10 KKGE Fc1c(CCl)ccnc1Oc1c(I)cc(Cl)cc1I 388154001 RATXOIBQARGTRZ-UHFFFAOYSA-N 523.898 5.614 50 10 KKGE CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 504746376 LBWTYBJDVVQBIH-QRBPUMSVSA-N 787.131 7.506 50 10 KKGE CN(C)[C@@H](c1ccccc1)[C@@H]1CCC[C@H]1P(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 605693783 CRDKMPRXRRQNBW-CYXNTTPDSA-N 659.495 9.666 50 10 KKGE in-vitro CC(C)(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 616591393 YXADDVIQROVGOJ-FWKCKQQBSA-N 630.892 6.196 50 10 KKGE O=C(CC[C@@H](O)c1ccccc1)NN=Cc1ccc(OCc2ccc(I)cc2)c(Br)c1 725387727 ACXYYJHBAPMEFD-JOCHJYFZSA-N 593.259 5.597 50 10 KKGE COc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 1084004787 YDOXITNMLYRTCO-UHFFFAOYSA-N 522.226 6.036 50 10 KKGE Cc1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 1084008994 IIDARLBWRYJDNW-UHFFFAOYSA-N 589.471 7.426 50 10 KKGE C=CCc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCc1ccccc1C#N 1084031456 QJBXUQIZEVQIOZ-ZTKZIYFRSA-N 532.644 5.520 50 10 KKGE O=C(NN=C(CSc1nc2ccccc2[nH]1)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 1084035642 GTFGZLSCZRBTML-UHFFFAOYSA-N 510.373 5.160 50 10 KKGE COc1cccc([C@@H]2Nc3ccc(C(C)=NNC(=O)[C@H](C)Sc4ccc(Cl)cc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 1084109934 UDFAVXJSPRKKGQ-RSEQZTCWSA-N 562.135 7.205 50 10 KKGE CC(=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 1084328552 WORXAUFVNBEEHV-UHFFFAOYSA-N 609.535 6.290 50 10 KKGE O=C(CSCc1ccc(Cl)cc1)NN=C1C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 1084501889 ARRPROLUMYMOPM-UHFFFAOYSA-N 542.886 5.446 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCc3ccccc3)c(I)c2)cc1 1084507500 KUXQOBNIZZBSQP-ODLFYWEKSA-N 620.228 6.329 50 10 KKGE O=C(NN=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 1084536537 DAIOZWNJXXAKLU-UHFFFAOYSA-N 548.389 6.335 50 10 KKGE Cc1cccc(COc2ccc(C=NNC(=O)c3cc4ccccc4o3)cc2I)c1 1084609941 DVNXVVGVLKCCNJ-UHFFFAOYSA-N 510.331 5.689 50 10 KKGE N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 1084630957 PEEXVDOZGGIZMI-YVLHZVERSA-N 502.195 6.881 50 10 KKGE O=C(OCc1ccccc1)N1C[C@H](CBr)[C@H](c2cc(C(F)(F)F)ccc2Br)C1 1614694725 RBMVRWCQLYHGIC-WMLDXEAASA-N 521.171 6.215 50 10 KKGE CCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(OC)c(OC)c1 1772719747 RRVGXHICVSRVPV-UHFFFAOYSA-N 547.391 5.158 50 10 KKGE COc1cc(C=NNC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1C 1772760639 TVJWERMRDIRKLW-UHFFFAOYSA-N 534.663 5.182 50 10 KKGE COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 1848437572 XZYOTUXLJJSYCJ-QQVMGQLUSA-N 876.065 5.533 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2cccc3ccccc23)cc1OCC 1865687580 VKXRWNFYRQRVML-MUUNZHRXSA-N 508.622 6.384 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3CC(C)C)ccc1OCCc1ccccc1 1865687864 BYROVIFXOOAGEF-MUUNZHRXSA-N 520.633 6.054 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Cl)cc2)cc(Br)c1O 1865687878 CIXXIQWIZZRTBS-JOCHJYFZSA-N 563.839 6.278 50 10 KKGE CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccc(OC)cc1)nn2Cc1cc(C)ccc1C 1865693724 QKCJQVUGQHSTHT-HHHXNRCGSA-N 536.632 5.849 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(OC)cc2)ccc1OCc1ccccc1 1865694064 OZLYKQQJBFAOKU-WJOKGBTCSA-N 570.649 6.744 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4-c3cccc(Cl)c3)cc2)cc1 1865694363 XAWHCAVCNBMTJW-LJAQVGFWSA-N 545.042 7.298 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3-c2ccc(OC)cc2)cc1 1865694400 UTDQOSGTGORBAY-AREMUKBSSA-N 508.578 5.563 50 10 KKGE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 1865703338 UIFLQFBOSMSCOH-GDLZYMKVSA-N 519.004 6.785 50 10 KKGE Cc1ccccc1-c1nc(Nc2ccc(SC#N)cc2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1868301115 KZGAURUEPPCTNF-UHFFFAOYSA-N 570.166 6.808 50 10 KKGE CCCCCCCOc1ccc(-c2csc(/C(C#N)=C(\O)CCCOc3ccc(OC)cc3)n2)cc1 1872753238 NNNDYNQRWXLXFY-SGEDCAFJSA-N 506.668 7.820 50 10 KKGE COCCCN1C(=O)c2ccc(/C(O)=C(\C#N)c3nc(-c4cc(C(C)(C)C)ccc4C)cs3)cc2C1=O 1872755920 LWGRXZAEBKDXQW-BZZOAKBMSA-N 515.635 5.998 50 10 KKGE Brc1cc(Br)c(Br)c([C@H](Br)[C@@H]2C[C@H]2Br)c1Br 1898077515 APUUVODNONCOPG-TTWOZLTLSA-N 605.582 6.956 50 10 KKGE BrCC1(N(Cc2ccccc2)Cc2c(Br)cccc2Br)CCC1 1915750137 FBLPZZANAPHDGP-UHFFFAOYSA-N 502.088 6.531 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)[C@@H]1CCOc2ccccc21 1923072843 SEOFXKCOJHSILQ-KCJUWKMLSA-N 501.465 6.929 50 10 KKGE CC[C@@H]1C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2025780459 SQHMUJMMQDLTEQ-OXOINMOOSA-N 554.740 7.219 50 10 KKGE Cc1c(Br)cc(CCl)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2034753597 WBYAVMROMNIFDJ-UHFFFAOYSA-N 535.935 5.819 50 10 KKGE Brc1sc(Br)c([C@H](Br)C2CC(CC3CC3)C2)c1Br 2050215647 KGKGDRWCEOJVSQ-SFVIPPHHSA-N 521.938 7.298 50 10 KKGE O=S(=O)(N=C1c2ccccc2C(=NS(=O)(=O)c2ccc(Cl)cc2)[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1 2055470983 IRHPAVCNBONRKT-WOJBJXKFSA-N 665.212 5.890 50 10 KKGE CC(C)(C)OC(=O)N1CCC(CI)(OCc2ccc(F)cc2Br)CC1 2085376883 WKXRWOMOCBREOI-UHFFFAOYSA-N 528.200 5.310 50 10 KKGE Cc1cc(CBr)cc(S(=O)(=O)N(Cc2ccccc2)C2CCCC2)c1Br 2123244027 QWJFSSAYODNCIE-UHFFFAOYSA-N 501.284 5.786 50 10 KKGE CC1(C)CC(C)([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)C1 2141472487 DXPUBBJMCCEIIT-GFCCVEGCSA-N 582.794 7.999 50 10 KKGE Cc1ccc([C@@H](Br)c2ccc(Br)cc2I)c(C)c1Br 2142292793 XMQIVVMMBSNNBZ-OAHLLOKOSA-N 558.877 6.917 50 10 KKGE O=S(=O)(c1ccc(Br)c(CBr)c1)N(Cc1ccccc1)CC1CCCCC1 2179952038 HHNXRYAWTVDFLB-UHFFFAOYSA-N 515.311 6.115 50 10 KKGE COc1cc(Cl)c([C@H](Br)c2c(Br)sc(C)c2C)cc1Br 2202370674 KCQFMSYICSOYNW-ZDUSSCGKSA-N 503.481 7.036 50 10 KKGE CC1(C)CCC[C@@H]([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)C1 2206398132 RFIJALQLXSRKMW-XLKFXECMSA-N 552.370 8.233 50 10 KKGE C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2206399954 NKQMSMMXFSQWMV-PCQLPTCXSA-N 594.805 7.855 50 10 KKGE Clc1cc(Br)c(OCc2ccc(I)c(Cl)c2)c(CBr)c1 2208036778 PYPTYDDVRQAEPS-UHFFFAOYSA-N 550.843 6.834 50 10 KKGE Brc1sc([C@@H]2C[C@H](Br)CC3(CCC3)C2)c(Br)c1Br 2222471965 BGMYASZEIUDQSY-SFYZADRCSA-N 521.938 7.237 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2cc(Br)c(C)s2)c1Br 2226089362 PEDCGZLPACFGIE-AWEZNQCLSA-N 531.933 7.445 50 10 KKGE COc1ccc([C@@H](Br)c2ccc(Br)c(C)c2Br)c(Br)c1 2240827462 XKJCSOKDEYPSOR-OAHLLOKOSA-N 527.876 6.775 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Cl)c2Br)c(C)c1Br 2283202073 LCBNVCDUTWBFIX-HNNXBMFYSA-N 546.322 7.729 50 10 KKGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C(C#N)=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 2293031344 WWQFSRDJRJTWEZ-UHFFFAOYSA-N 513.531 6.306 50 10 KKGE COc1ccc(NC(=O)C(C#N)=Cc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 2313510894 BWJLVCQXWJNCBN-UHFFFAOYSA-N 542.227 6.345 50 10 KKGE Clc1cc(Cl)cc([C@H](Br)c2cc(Br)ccc2OCc2ccccc2)c1 2314491817 SXJQPHJRAHZOOG-FQEVSTJZSA-N 501.045 7.819 50 10 KKGE COc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)SC2=C(C#N)C(=O)NCc2ccccc2)cc1 2314593083 HIVOEEYOWJOVOW-DEOSSOPVSA-N 572.008 6.110 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 2314610897 OAWJVNJHJJKSEE-UHFFFAOYSA-N 576.656 6.911 50 10 KKGE C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)c(C)c1 2314616675 GZWXJVSWQDNIHN-UHFFFAOYSA-N 518.617 5.947 50 10 KKGE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1C 2314617107 QWLWMVJRENNWRZ-UHFFFAOYSA-N 558.638 6.048 50 10 KKGE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccccc1Cl 2314617510 ZNKSAIXOMKFLRD-UHFFFAOYSA-N 527.020 6.419 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@H](C)c3ccccc3)C(=O)C(C#N)=C2C)cc1F 2314618196 IYDNMGAOVVPDRT-OAQYLSRUSA-N 532.575 6.040 50 10 KKGE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccc(F)cc3)C(=O)C(C#N)=C2C)c1 2314620331 NDVFZDHSBUVLHD-UHFFFAOYSA-N 623.710 5.501 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)NCc2ccco2)ccc1OC(=O)C=Cc1ccc(OCCC(C)C)c(OC)c1 2314770714 ULANDCKKWLVSMR-UHFFFAOYSA-N 558.631 5.954 50 10 KKGE CCCCc1ccc(N2C[C@@H](C(O)=C(C#N)c3nc(-c4ccc(OC)c(OC)c4)cs3)CC2=O)cc1 2331242597 RPOBDDVCVVUJMQ-FQEVSTJZSA-N 503.624 6.016 50 10 KKGE Cc1ccc(N2C(=O)c3ccc(C(O)=C(C#N)c4nc(-c5cccc(Cl)c5)cs4)cc3C2=O)c(C)c1 2331293889 OFBDCPCLZBPOKF-UHFFFAOYSA-N 511.990 6.831 50 10 KKGE COc1c(Cl)cc(-c2csc(C(C#N)=C(O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1Cl 2331397447 DRFUXRDNCIKMFX-UHFFFAOYSA-N 517.478 8.075 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2ccc(Br)cc2)c1Br 2337113300 HTMQTBAMTSUADQ-LLVKDONJSA-N 536.258 7.251 50 10 KKGE Cc1cc(Br)c(C(C)C)cc1[C@H](Br)c1csc(I)c1 2352802560 RVRMMLWGXSTMMT-OAHLLOKOSA-N 514.064 7.031 50 10 KKGE Cc1ccc(I)c([C@@H](Br)c2c(F)cc(Cl)c(Br)c2Cl)c1 2360437714 SUSQSWGRSXXHNS-GFCCVEGCSA-N 552.834 7.292 50 10 KKGE CO[C@]1(C(F)(F)F)C[C@H]([C@@H](Br)c2cc(Br)ccc2OCc2ccccc2)C1 2361169787 YHRPWCLWBTZHCT-ZMYBRWDISA-N 508.172 6.822 50 10 KKGE Nc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)oc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12 2180833 OPVQIYNRBUBALT-UHFFFAOYSA-N 510.937 5.890 50 10 KKGE O=C(NC1CCCCC1)[C@H](c1cccc(Br)c1)N(Cc1ccccc1Cl)C(=O)CCl 3040238 XZASPHUSQPNMGJ-QFIPXVFZSA-N 512.275 5.860 50 10 KKGE N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)NCc1ccccc1 29503149 PATHLHDEIJVMHR-OOAXWGSJSA-N 565.699 5.327 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)c1ccccc1Cl 33353583 ZCOKICOFZKKTJQ-DEOSSOPVSA-N 556.962 5.295 50 10 KKGE CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 33924442 STFINIHJHINUAP-PTNGSMBKSA-N 515.418 6.916 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)cc1OC 38660161 CQAKLBOJRDGUAD-PMERELPUSA-N 528.605 5.694 50 10 KKGE C#CCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1Br 59159413 TYEWDHLUVCPVKW-RDRPBHBLSA-N 505.412 5.316 50 10 KKGE CCCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 100154340 PGGPAYXXBMLNFN-UHFFFAOYSA-N 506.068 5.021 50 10 KKGE C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100156718 QOPMYFDJDUPITN-JOCHJYFZSA-N 535.644 6.132 50 10 KKGE N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 101034148 MSRLRJCQNOSJAI-RIYZIHGNSA-N 603.803 8.675 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101380079 GQUONUZTXAZGBQ-DHUJRADRSA-N 599.086 7.875 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OCc3ccc(F)cc3)cc2)cc1C 101380947 IOQCDNAZDIOSPF-JGCGQSQUSA-N 550.586 6.224 50 10 KKGE CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 101382785 ZMYMLODLZWGSSV-WQEAFIQUSA-N 591.107 8.053 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc32)cc(OC)c1OC 101393475 INFWVHYJWTUZJF-HSZRJFAPSA-N 557.386 5.465 50 10 KKGE Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Oc3ccccc3)c2)oc2ccc(Cl)cc12 101393752 OMVCHKQUTRGNMH-LJAQVGFWSA-N 548.982 7.624 50 10 KKGE CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(OC(=O)c3oc4ccc(Br)cc4c3C)ccc21 101394701 WYASJAUSTSJFDQ-AREMUKBSSA-N 559.416 6.730 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)[C@@H]3COc4ccccc4O3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 101397644 XSMGXZHYLVMLJS-XZWHSSHBSA-N 566.997 5.883 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 101398059 CRCLKVBCZQDBTB-NDEPHWFRSA-N 599.495 8.224 50 10 KKGE Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)CCC2 101611906 SVVQPDKBOBAIHQ-HREAICOFSA-N 558.437 6.251 50 10 KKGE N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)N1CCN(Cc2ccccc2)CC1 101694853 MAVUSCRCTMDYMQ-OOAXWGSJSA-N 566.499 6.433 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)c(C)c2)cc1 102475500 IAFXDIYWFBBNCK-SJUMRLIPSA-N 502.039 6.330 50 10 KKGE Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCCN(C(=O)[C@H](Cl)c4ccccc4)CC3)c12 103137048 RCQNNTZFQJYGIE-GDLZYMKVSA-N 569.084 5.873 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 103878152 WMPSUDTUMQNGHB-XZYGTATASA-N 608.492 7.287 50 10 KKGE CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 118919368 ISLUIHYFJMYECW-NGYRYOBISA-N 588.509 8.930 50 10 KKGE Cl[C@H](c1cc(Br)c(Br)s1)c1cc(Br)sc1Br 128851883 JWWBMWLMSGODHU-ZETCQYMHSA-N 530.326 7.188 50 10 KKGE O=C(N/N=C/c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164013832 KKIIWNZWYACVGX-VVQDTDOBSA-N 675.661 5.616 50 10 KKGE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@](O)(CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C 199651120 ZAYSEZBMOHYFQA-IMLFVVNYSA-N 924.727 19.065 50 10 KKGE CCCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(OC)cc4)ccc32)cc1OC 205658305 DVEZHIOZFWHBNK-AWPOKNFJSA-N 568.670 6.890 50 10 KKGE CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)cc1 214401368 OICWBIXAIXQMTA-COEJQBHMSA-N 574.706 6.495 50 10 KKGE C1=C[C@@H](c2cccc3ccccc23)N(p2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c2c1cccc2P(c1ccccc1)c1ccccc1 224610035 XGSMFCXLINRSFF-GWHBCOKCSA-N 755.794 13.546 50 10 KKGE Cc1ccc(CN(Cc2ccc(C=NNC(=O)c3c(C)nc4sccn34)o2)S(=O)(=O)c2ccc(C)cc2)cc1 252597975 CWTSUUAEIKFOLR-UHFFFAOYSA-N 561.689 5.069 50 10 KKGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](OC(=O)CBr)CC[C@]34/C=N/Nc3nc4ccccc4s3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253534593 NBJRFADZXIXCDP-KAVHKAHJSA-N 672.642 5.353 50 10 KKGE CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=C(C)/C=C/c2ccc3c(c2)OCO3)cc1 254315939 GYRUEXVVEXSNKD-UZDTUNGCSA-N 524.621 5.238 50 10 KKGE COc1ccc(C(=O)/N=c2\[nH]nc(CC(=O)NN=Cc3ccccc3OCCOc3ccc(C4CCCCC4)cc3)s2)cc1 254318281 PHYXWIAHJDWLFB-UHFFFAOYSA-N 613.740 5.419 50 10 KKGE COc1ccc(-n2c(SCC(=O)NN=C(C)c3cccnc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 254411563 LQYUNKLOGZHLQC-UHFFFAOYSA-N 514.655 5.268 50 10 KKGE COc1ccc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1CSc1nc(C)cc(C(F)F)n1 254486612 IMJYSBYTGBCFJV-UHFFFAOYSA-N 548.615 5.410 50 10 KKGE COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3ccc(-n4c(-c5ccccc5)ccc4-c4ccccc4)cc3)c2C)cc1 254500237 TWEZWUYMDLVVDN-UHFFFAOYSA-N 592.699 7.769 50 10 KKGE CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3)ccc21 254737685 VWDIEPMSVPWNHC-UHFFFAOYSA-N 545.668 6.064 50 10 KKGE COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1ccc(Br)cc1 254806258 NNFTWYQATFRBPZ-UHFFFAOYSA-N 596.659 5.622 50 10 KKGE O=C(NN=Cc1ccc(OC(=O)c2ccccc2Br)cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 254818530 LEOMEJUVCCNLKQ-WJFSIZOGSA-N 612.436 5.318 50 10 KKGE CC(=O)O[C@]1(C[C@@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@@H]3Br)[C@H]24)CC[C@@H](Br)C(C)(C)C1 256445365 SJYSXOUMHQMJSR-XXFMOXNHSA-N 520.302 5.537 50 10 KKGE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](CN=C=O)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 575417504 FWULWQNHPKVVEM-CCHJYVFISA-N 679.605 5.621 50 10 KKGE in-vitro C[C@@H](COCc1ccccc1)COc1c(Br)cc(CBr)cc1Br 719522159 LSRHXFKIPCXJJP-ZDUSSCGKSA-N 507.060 6.338 50 10 KKGE Cc1ccc(COc2ccc(C=NNC(=O)CN(c3cccc(C)c3)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 1083885740 VSJOYDBJZRVOLV-UHFFFAOYSA-N 541.673 5.536 50 10 KKGE COc1ccc(Br)cc1C=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 1083983355 NSFABGKONJCQMY-UHFFFAOYSA-N 564.889 5.074 50 10 KKGE CCOc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cccc(C)c3)c2C)S(=O)(=O)c2ccccc2)cc1 1083993168 AHHPVJWYEIUWEF-UHFFFAOYSA-N 544.677 5.147 50 10 KKGE Cn1c(SCCCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)nc2ccccc21 1084013334 JNVKVZJWLZOJRT-UHFFFAOYSA-N 537.483 5.937 50 10 KKGE COc1cc(C=NNC(=O)c2cccs2)cc(I)c1OCc1cccc2ccccc12 1084064075 UBLUCDWMRLKFAR-UHFFFAOYSA-N 542.398 5.857 50 10 KKGE N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1 1084080862 ZSMZDDNUTGNQHO-CJLVFECKSA-N 520.402 5.423 50 10 KKGE Cc1cc(C=NNC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 1084188969 ZCFRKDCHAOJUPH-SSEXGKCCSA-N 506.606 5.509 50 10 KKGE Cc1ccc(-n2c(C)cc(C=NNC(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)c2C)cc1 1084281882 PHWFAGQDJIZGJW-UHFFFAOYSA-N 569.514 6.055 50 10 KKGE CCOc1cc(C=NNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 1084374554 LNFUQXDEGFJSLP-UHFFFAOYSA-N 592.117 5.972 50 10 KKGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 1084460407 SJCVKKISYBDEMS-UHFFFAOYSA-N 548.643 5.035 50 10 KKGE CCCCCCCC(=O)NN=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 1084487786 CBMXLUFDFDHMHO-UHFFFAOYSA-N 551.716 7.566 50 10 KKGE Cc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 1084530851 FVQBDHDHBMLTNX-UHFFFAOYSA-N 599.496 5.375 50 10 KKGE COc1cc(C=NNC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccc(C)cc1 1084573138 ANPWAJNEAAWLDQ-QHCPKHFHSA-N 558.416 5.151 50 10 KKGE COc1ccc(C=NNC(=O)COc2c(C)cc(Br)cc2Br)c2ccccc12 1084651818 OXJANKNKTAXLPR-UHFFFAOYSA-N 506.194 5.211 50 10 KKGE O=C(OCc1ccccc1)N1C[C@@H](CI)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C1 1614616470 REDHWXUGIGRKDV-HZPDHXFCSA-N 500.720 5.035 50 10 KKGE Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1C 1614653464 BVQQROBKBQOKNW-SGWIFOIQSA-N 509.675 6.224 50 10 KKGE C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 1615773649 YYGPOUVOBLNWHS-OHDZPLJJSA-N 629.175 12.649 50 10 KKGE C=CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1772718982 ZMJIEYVMTVLJAJ-LAPMKYIOSA-N 539.872 5.281 50 10 KKGE Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c1C(=NNC(=O)c1cccc3ccccc13)CCC2 1772749109 WSONWFVUESUGBC-UHFFFAOYSA-N 500.643 5.251 50 10 KKGE COc1cccc(C=NNC(=O)CSc2nc3ccccc3[nH]2)c1OCc1c(Cl)cccc1Cl 1772760610 YFDURZTXSWTSIW-UHFFFAOYSA-N 515.422 5.700 50 10 KKGE Cc1ccc(S(=O)(=O)O[C@H]2[C@@H]3[C@@H]([C@H](Cl)[C@@H]2Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc1 1848435185 OGRRKRDGTDQHQF-UOLRKWPBSA-N 579.971 6.375 50 10 KKGE COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 1865688200 MYLGQCPYVKCVBH-AREMUKBSSA-N 504.977 6.573 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690745 ZZRYZGHUFUEIDH-LJAQVGFWSA-N 545.042 7.049 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3-c2ccc(Cl)c(Cl)c2)cc1OCC 1865690885 DGMLNLZKAQIRKG-QHCPKHFHSA-N 513.425 6.147 50 10 KKGE Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3cccc(Cl)c3)cc2)cc1 1865692462 GFXCAQWWRUXRRG-SSEXGKCCSA-N 559.069 7.357 50 10 KKGE CCCCCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1OC 1865692733 PAUGIBRWRRXVHK-NRFANRHFSA-N 517.468 5.660 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3Cc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 1865695008 HRPZUNJKNMYFCQ-MUUNZHRXSA-N 561.469 6.661 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccc(OC)cc2)nn3Cc2cccc(Cl)c2)cc1OC 1865695357 NVVFGAZATOIFOL-SANMLTNESA-N 543.023 5.886 50 10 KKGE CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865697475 UFNAWBJYCLBCSM-OAQYLSRUSA-N 543.849 5.535 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 1865704333 SQLJQPCPZGYASG-QHCPKHFHSA-N 536.941 6.401 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(Cl)c3)c3c2[C@H](c2cccc(OCc4ccccc4)c2)C(C#N)=C(N)O3)cc1 1865712281 UUZNFCJKUFMZKF-SSEXGKCCSA-N 575.068 7.058 50 10 KKGE COc1ccc([C@@H](C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)Nc2ccc(SC#N)cc2)C(C)C)cc1 1866986662 OFXRGOWQFJWUDZ-NSOVKSMOSA-N 545.661 5.299 50 10 KKGE COc1ccc([C@@H](CC(=O)N[C@H](C(=O)Nc2ccc(SC#N)cc2)c2ccccc2)c2ccc(F)cc2)cc1OC 1867222668 XRJHNLHCRFVUGW-DHIFEGFHSA-N 569.658 6.434 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCN4CCc5c(Cl)cccc5[C@H]4C3)nc(-c3ccccc3)n2)cc1 1868365745 WHDWRQIKTHFONL-AREMUKBSSA-N 525.081 6.533 50 10 KKGE COc1ccc([C@H]2CN(c3cc(Nc4ccc(SC#N)cc4)nc(-c4ccccc4Cl)n3)CCS2)cc1 1868414225 KQFYRWLQEXHWBJ-RUZDIDTESA-N 546.121 7.417 50 10 KKGE N#CSc1ccc(Nc2cc(N3CCC[C@@H](Oc4ccccc4)C3)nc(-c3ccc(Cl)cc3)n2)cc1 1868434003 UIJUGDPGQTWZGP-XMMPIXPASA-N 514.054 7.162 50 10 KKGE COc1ccc(C(=O)[C@H]2CCCN2c2cc(Nc3ccc(SC#N)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1C 1868544245 BFPWVKAPUKQMJL-MUUNZHRXSA-N 577.754 7.927 50 10 KKGE CC[C@@H](C)[C@@H](/C(O)=C(\C#N)c1nc(-c2cc(Cl)ccc2OC)cs1)N1C(=O)c2ccccc2C1=O 1872758660 KHADJFNGYTVAQY-DDXFLYLXSA-N 507.999 5.976 50 10 KKGE CCOc1cc(/C=C(\C#N)c2nc(-c3cc(C)cc(C)c3OC)cs2)ccc1OCc1ccccc1C 1872792860 VGZAFYWVLBTFBL-MFKUBSTISA-N 510.659 7.786 50 10 KKGE CCOC(=O)c1c(NC(=O)c2ccc(O[C@@H](C)C(=O)N/N=C/c3cccc4[nH]ccc34)cc2)sc(C)c1C 1873496434 QZLSAWZIHBHFAM-ZTCTXGLISA-N 532.622 5.193 50 10 KKGE CC(C)(C)OC(=O)NCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 1873795615 TUMVQFXCJNYJER-MUFRIFMGSA-N 508.446 6.108 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@H](Br)c2cscc2OCc2ccccc2)c1 1899867501 QKSGQNQUDRATSP-VWLOTQADSA-N 544.308 8.153 50 10 KKGE Brc1ccc(OCc2ccccc2)c([C@@H](Br)c2cnsc2Br)c1 1900430892 BPZMMJAQDRPBCJ-MRXNPFEDSA-N 518.068 6.731 50 10 KKGE CC(C)(CBr)N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1I 1901582667 RMCCDCZDXQRKTE-UHFFFAOYSA-N 506.609 5.761 50 10 KKGE CN(Cc1cc(I)ccc1Cl)C[C@@H](Br)COCc1ccccc1 1905031836 HMBMTMKHMDFYHE-MRXNPFEDSA-N 508.625 5.357 50 10 KKGE Cn1c([C@H](Br)c2c(Br)sc(Br)c2Br)cnc1Cl 1924608096 DBCVATPQKKFOPR-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1csc(I)c1 1925569389 SUUOIMKPGOUXEO-ZCFIWIBFSA-N 532.875 6.968 50 10 KKGE Cc1cc(C)c([C@H](Br)Cc2ccccc2I)c(C)c1Br 2143867814 HKGGTVOVYKECSO-CQSZACIVSA-N 508.035 6.658 50 10 KKGE Cc1cc(Br)c(C)c([C@H](Cl)c2ccc(Br)c(Cl)c2)c1Br 2201078325 MXHSMTMFMOJZTM-OAHLLOKOSA-N 501.871 7.573 50 10 KKGE COC1(C[C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2206397084 DVARURCJEYBPKK-JTQLQIEISA-N 598.793 7.522 50 10 KKGE FC[C@]12C[C@]([C@H](Br)c3c(Br)c(Br)cc(Br)c3Br)(CO1)C2 2206403193 XOIQFCASHLYRSU-JHJVBQTASA-N 600.740 6.691 50 10 KKGE Fc1cc(Br)ccc1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2206409954 SXFQGDQXUZVBPJ-ZDUSSCGKSA-N 615.154 7.966 50 10 KKGE Cc1c(Br)csc1[C@H](Br)c1ccc(Br)c(C)c1Br 2219002957 MHSHZPGACAJNRZ-GFCCVEGCSA-N 517.906 7.137 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2cc(Cl)c(Cl)s2)c(C)c1Br 2227350597 XOXQHHBGKDKIEO-GFCCVEGCSA-N 507.900 7.681 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2scc(Cl)c2Cl)c(C)c1Br 2227369642 OAVYYUIHMZKHAY-LLVKDONJSA-N 507.900 7.681 50 10 KKGE Cc1cc(Br)c(C)c([C@@H](Br)c2sc(C)c(Br)c2C)c1Br 2234464459 NWKAWFWUFIKHSY-CQSZACIVSA-N 545.960 7.754 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1ccc(Br)s1 2260073172 ICICWZBRENDXGG-SECBINFHSA-N 525.832 6.798 50 10 KKGE COC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CC(CF)C1 2281060770 IDAUMGMEECCCBK-BZCBFNEHSA-N 558.305 6.781 50 10 KKGE CCOc1cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1Cl 2313521348 HXQFTCDNRRMASM-UHFFFAOYSA-N 539.857 7.243 50 10 KKGE CCOc1cc(C=C(C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 2313521390 KRJJXAKDYBFTQT-UHFFFAOYSA-N 503.223 7.798 50 10 KKGE N#CC(=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2313568650 XONKHBNPCGNUNI-UHFFFAOYSA-N 515.444 6.252 50 10 KKGE Cc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2313571236 QKLMUVIHNMDZHP-UHFFFAOYSA-N 585.318 8.832 50 10 KKGE CCOC(=O)c1c(NC(=O)C(C#N)=Cc2ccc3noc(-c4ccc(Cl)cc4)c3c2)sc2c1CCCC2 2314571918 OOTWOBDRGNLEEO-UHFFFAOYSA-N 532.021 6.811 50 10 KKGE CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2314618339 LPNVIANPHBOIIM-AREMUKBSSA-N 625.128 8.125 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCc3ccc(OC)cc3)C(=O)C(C#N)=C2C)c(C)c1 2314620360 ODEQLZOIZDZVGL-UHFFFAOYSA-N 586.692 6.480 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(Cc3ccccc3Cl)C(=O)C(C#N)=C2C)cc1F 2314620615 STWLOGFQCVOVTC-UHFFFAOYSA-N 581.047 6.913 50 10 KKGE COc1ccc(C=CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)c(OC)c2)cc1 2314634576 KLSOVECDXPVZRC-XIFFEERXSA-N 560.606 6.120 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccc(OC)cc2)cc1 2314646875 SOLQCTCJWGAJKA-GDLZYMKVSA-N 662.768 5.643 50 10 KKGE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2c2ccccc2)cc1Br 2314646954 WJAZHCSQYYIBFW-RUZDIDTESA-N 669.557 5.227 50 10 KKGE CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(C#N)=Cc1ccc(OCC)c(OC)c1 2314736184 YXINGAZWLQCCNB-UHFFFAOYSA-N 510.999 6.198 50 10 KKGE COc1cc(C=C(C#N)C(=O)NC(C)C)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 2314737481 OFCWUMTZUMYVQM-UHFFFAOYSA-N 549.421 5.541 50 10 KKGE CCOc1ccc(C=C(C#N)C(=O)Nc2sc(C)c(-c3cccc(Cl)c3)c2C(=O)OC)cc1OC 2314777831 XBUYWVHIJOYTBN-UHFFFAOYSA-N 510.999 6.117 50 10 KKGE Cc1c(Cl)cc([C@H](Br)c2sc(Cl)cc2I)cc1Br 2316600413 FRGLFGQJQOUVOX-NSHDSACASA-N 540.873 7.215 50 10 KKGE COc1cccc(C=NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1OCc1c(F)cccc1Cl 2328833288 IAZUABFITIMWHJ-NRFANRHFSA-N 507.990 5.066 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3ccc(OC)c(C)c3C)cs2)ccc1OCc1ccc(Cl)cc1 2331468182 IHWXDGVNLICMGR-UHFFFAOYSA-N 517.050 7.741 50 10 KKGE CCCCCCOc1ccc(C=C(C#N)c2nc(-c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1OC 2331480280 DGAXHZMKSQHEEF-UHFFFAOYSA-N 517.478 8.157 50 10 KKGE Brc1ccc([C@H](CI)OCc2cc(Br)cc(Br)c2)cc1 2362237048 DXHVPHICUQESSI-HNNXBMFYSA-N 574.876 6.667 50 10 KKGE COc1c(C)cc([C@@H](Br)c2c(Br)sc(Br)c2Cl)cc1Cl 2362871702 CUHLJZNEEGKPTN-SECBINFHSA-N 523.899 7.381 50 10 KKGE Cn1nc(Br)c(Br)c1[C@@H](Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl 2364063753 LPTAOBDGXHPGCY-ZETCQYMHSA-N 502.248 6.887 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(F)c(Br)c1 2365183709 AAOXLCOMJOXBFK-LBPRGKRZSA-N 533.830 7.045 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1OC 38660180 NIWAHMAAFWFVDB-AREMUKBSSA-N 504.970 5.965 50 10 KKGE CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)cc4)ccc32)cc1OCC 38679060 HIKNPZOCMBFBDQ-HHHXNRCGSA-N 520.969 5.340 50 10 KKGE C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1OC 38681164 CAPVDOCNAMXAGN-PMERELPUSA-N 526.589 5.586 50 10 KKGE Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3Cl)c2)cc1 38686675 VLUFNURSMBGMQE-GDLZYMKVSA-N 522.988 6.665 50 10 KKGE CCCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)c(C)c4)ccc32)c1 40530072 YYUBNXYKWHGYHY-PMERELPUSA-N 512.606 6.075 50 10 KKGE Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC2 40823265 PDWCGWHACDHGSR-XAZZYMPDSA-N 519.417 5.171 50 10 KKGE N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)N1CCN(c2ccccc2)CC1 59676700 DHLXHJKCXUZMFK-HAVVHWLPSA-N 502.412 5.284 50 10 KKGE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100079953 BZEYQJPVGGFMEL-MRXNPFEDSA-N 587.529 5.646 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(I)c1OCc1ccccc1C#N 100226207 XUYMNKUVRMJZCA-BXYKZGNCSA-N 583.426 5.104 50 10 KKGE CCOc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccccc2)cc(I)c1OCc1ccccc1Cl 100226532 UNQBIKPLAGDUBS-SLLOZXFSSA-N 592.861 5.886 50 10 KKGE COc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)c(Br)cc1OCc1ccc(I)cc1 100327268 YWMNCCIOBRFVFA-WHXCVRPHSA-N 623.285 5.605 50 10 KKGE CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)[C@@H]2Br 100848646 ZPAVJUZCRPKKTD-RLCCDNCMSA-N 514.483 5.964 50 10 KKGE CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1 101242898 AZCPOSVKAVQUFN-SXVKILDJSA-N 537.729 6.895 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2[C@@H]1c1ccccc1F 101364083 FMPIJNMDECRZGP-KRWDZBQOSA-N 588.633 7.295 50 10 KKGE CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc32)cc1OC 101367077 CJIWYHJMBBSBCO-DEOSSOPVSA-N 521.913 5.093 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc2[C@H]1c1cccc(Oc2ccccc2)c1 101369264 VPABGWWBBMMCRV-IFJZDFIXSA-N 555.417 7.623 50 10 KKGE CCCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C)cc4)ccc32)cc1OC 101372124 BWYNPXONCYSBDW-IDVKVFGRSA-N 538.644 6.800 50 10 KKGE CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)cc1OCC 101373936 ZTLFSYLTAFQSKG-LJAQVGFWSA-N 574.630 5.727 50 10 KKGE N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 101381121 ZOGVKPSVQJLLDX-MUUNZHRXSA-N 561.396 7.149 50 10 KKGE COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)ccc1OCc1ccccc1F 101386597 XOABUUHWIMPRSJ-JGCGQSQUSA-N 566.585 5.924 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(C)(C)C)cc2)cc1Cl 101390157 LYJYDVIJENLINZ-MHZLTWQESA-N 565.497 7.907 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1Cl 101390933 NBBJDRXDJHTHFX-HKBQPEDESA-N 615.513 8.189 50 10 KKGE CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4sc5cc(Cl)ccc5c4Cl)ccc32)cc1 101393813 ZAGRJQAWFFHTAU-HSZRJFAPSA-N 521.425 7.208 50 10 KKGE CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(CC)cc5c4C)ccc32)cc1OCC 101395271 CNAXNASRPRWZQQ-PMERELPUSA-N 552.627 6.929 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(Br)ccc5c4C)ccc32)cc1OCC 101395306 YMOOKKDWHUVSIQ-MUUNZHRXSA-N 603.469 7.129 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H]4COc5ccccc5O4)ccc32)ccc1OCc1ccc(C)cc1 101399623 OTNDFZZDZVDMRG-LQJZCPKCSA-N 590.632 5.936 50 10 KKGE Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 101514004 MQIRLGRYDNXWMV-UHFFFAOYSA-N 569.713 5.246 50 10 KKGE COc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)cc1 102665969 RKNXPYICICBYNB-GPSDDGMOSA-N 534.435 5.523 50 10 KKGE COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(OC)cc3)cc2)cc1 106011845 DTQPIAUPZSYUDA-LVWIFPILSA-N 534.616 5.832 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@H](C)[C@H]2CCC[C@@H]2P(c2ccccc2)c2ccccc2)c1 106804825 LTOHPFFYJMDYFK-ZAMZPHDNSA-N 522.653 8.043 50 10 KKGE COc1ccc([C@@H](Br)c2cc(Br)c(Br)s2)cc1Br 128195643 ZVSISHXVFOXKQH-LLVKDONJSA-N 519.878 6.529 50 10 KKGE CCCCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1Cl 150462053 OZWKTRFMNHWQTA-XIFFEERXSA-N 728.456 9.894 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)ccc1OCc1ccc(Cl)cc1Cl 150483815 NDCXHHIGZBJJLH-VWLOTQADSA-N 693.408 7.479 50 10 KKGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C\c4ccc(C(C)(C)C)cc4)ccc32)ccc1OCCC(C)C 205657959 PGCLKSDZCZDVGH-JYUCFETQSA-N 580.725 7.645 50 10 KKGE COc1ccc(/C=C\C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCc3ccccc3)c2)cc1 205665430 IWXLAELNCRWZAC-XAYSVVRLSA-N 530.580 6.111 50 10 KKGE COc1ccc(CN2C(=O)C(C#N)=C(C)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OCCC(C)C)cc3)C2=O)cc1 214391784 ZIJKAWAATNWHLB-RGXNXFOYSA-N 586.692 6.765 50 10 KKGE Cc1sc([C@H](Br)c2cc(I)ccc2Br)cc1Br 235974233 LFZFCWKGGOHRFD-GFCCVEGCSA-N 550.879 6.670 50 10 KKGE CC(=C/c1ccccc1)/C=C(/NC(=O)c1ccccc1)C(=O)NN=Cc1cc(Br)c(Br)o1 252627816 SCCMNLODXFIADO-CREABOOGSA-N 557.242 5.672 50 10 KKGE CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C[C@H]1I 254391140 LEWFGYWUDKXYIJ-LZWWFLOKSA-N 556.613 8.453 50 10 KKGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C(=O)NN=C(C)c3ccccc3F)cc2)cc1 254478162 ORQDJNZTNPLNSR-UHFFFAOYSA-N 545.636 5.379 50 10 KKGE CCOc1ccc(NCc2nnc(S[C@@H](C)C(=O)NN=Cc3cc(Br)cc(OC)c3O)n2-c2ccccc2)cc1 254760066 PTLPLBZJRNLDTF-SFHVURJKSA-N 625.549 5.386 50 10 KKGE CC(=NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3)c1ccc(-c2ccccc2)cc1 254871436 FJOIULQLNVZTHA-UHFFFAOYSA-N 578.763 6.934 50 10 KKGE CCCCCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(C)cc2)cc1 254874731 QWFYZSFLIZZQAV-UHFFFAOYSA-N 520.758 8.926 50 10 KKGE CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616590367 QXQZQDMMTWVWDX-ZCFFODGCSA-N 654.920 8.706 50 10 KKGE Cc1cc(C)cc(P(c2cc(C)ccc2C)c2ccccc2[C@H](C)[C@H]2CCC[C@@H]2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 642771942 UQIJHRAONIAHRK-MQDSHPITSA-N 654.859 10.317 50 10 KKGE CCOc1ccc(Br)cc1[C@@H](Cl)c1ccc(I)c(Br)c1 721589319 SNSVLBBXJPBZAQ-HNNXBMFYSA-N 530.425 6.543 50 10 KKGE Cc1cc(C=NNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 1083949410 UGEYFBFLIGAYIB-UHFFFAOYSA-N 573.477 5.886 50 10 KKGE O=C(NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cc2cc(Br)ccc2o1 1084028559 GMZZOSRODLSSDC-UHFFFAOYSA-N 597.090 7.608 50 10 KKGE COc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCc1ccccc1F 1084216018 KJGWFGRCKZGMGT-UHFFFAOYSA-N 563.423 5.562 50 10 KKGE COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1 1084422538 GXMPFVUZSZEQFW-MFOYZWKCSA-N 521.322 7.145 50 10 KKGE Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2C#N)cc1 1084469495 JBRYETWABWBILS-UHFFFAOYSA-N 589.493 7.430 50 10 KKGE O=C(COc1ccc(C2CCCCC2)cc1)NN=C1C(=O)N(Cc2cccc3ccccc23)c2ccccc21 1084523260 XPLYEZZRGXIDBC-UHFFFAOYSA-N 517.629 6.334 50 10 KKGE Cc1c(Br)c(C=NNC(=O)c2cccc(I)c2)c(C)n1-c1ccc(Br)cc1 1084564581 DCEBUVHQHQSRNP-UHFFFAOYSA-N 601.080 5.988 50 10 KKGE CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NN=C(c1ccc(Cl)cc1)c1ccc(OS(C)(=O)=O)cc1 1088731798 SCBKOGSLWDPVPM-HKUYNNGSSA-N 515.846 5.138 50 10 KKGE CC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2OCc2ccccc2)c(Br)c1 1772755516 KIVDVUYWFAIPSD-UHFFFAOYSA-N 523.471 6.635 50 10 KKGE CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 1848665518 UISXOAJBTYXLPL-FAKSKYIZSA-N 633.701 6.787 50 10 KKGE O=c1ccc2ccc(OCCCCCl)cc2n1CCCCOc1ccc2ccc(=O)n(CCCCOc3ccc4ccc(O)nc4c3)c2c1 1857786959 RVSZPUWPKGSHOZ-UHFFFAOYSA-N 682.217 7.686 50 10 KKGE COc1ccc(-c2nn(-c3cccc4ccccc34)c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 1865683652 HDZQSVXISQBOEN-AREMUKBSSA-N 504.977 6.573 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2ccccc2F)cc(Br)c1O 1865688772 AFNSOUAHLGVQLZ-JOCHJYFZSA-N 547.384 5.432 50 10 KKGE CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3Cc2c(F)cccc2Cl)cc1 1865690233 MBUVWVBHVHWXSV-MHZLTWQESA-N 543.042 7.178 50 10 KKGE CCCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2c(CC)nn3Cc2ccccc2Cl)cc1OC 1865692990 QLEUKKHDCCWUOG-JOCHJYFZSA-N 557.876 5.925 50 10 KKGE Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4c3c(-c3ccccc3)nn4Cc3ccccc3)cc2)cc1 1865694523 YTYXWLJDVPPULX-PMERELPUSA-N 524.624 6.704 50 10 KKGE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 1865695615 QSOYLOZBIIEEQV-SANMLTNESA-N 549.433 6.737 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccccc2F)ccc1OC(C)C 1865697111 NKEDYBDIKHKZQW-HXUWFJFHSA-N 502.468 5.103 50 10 KKGE COc1ccc(-c2nn(Cc3cccc(F)c3)c3c2[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C#N)=C(N)O3)cc1 1865706214 QJLARUMKIDAPJL-HSZRJFAPSA-N 531.931 5.526 50 10 KKGE N#CSc1ccc(NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)cc1 1866774977 DZWUZMVXFQALIB-URLMMPGGSA-N 541.623 6.426 50 10 KKGE Cc1ccc(-c2nc(Nc3ccc(SC#N)cc3)cc(N3CCN(CCCc4cccc(Cl)c4)CC3)n2)cc1 1868320803 OBIMALDRYUSODX-UHFFFAOYSA-N 555.151 7.177 50 10 KKGE COc1c(C)cc(Cl)cc1-c1csc(/C(C#N)=C(\O)CN2C(=O)COc3ccc(Cl)cc32)n1 1872757181 TZRQURKGRHYULO-MNDPQUGUSA-N 502.379 5.652 50 10 KKGE CC[C@@H](C)[C@H](/C(O)=C(\C#N)c1nc(-c2cc(C)c(OC)cc2C)cs1)N1C(=O)c2ccccc2C1=O 1872758112 METGXXHJUZEZOQ-FKQVLLTPSA-N 501.608 5.939 50 10 KKGE CCCCCCOc1ccc(/C(O)=C(\C#N)c2nc(-c3ccc(OCCC)c(OCCC)c3)cs2)cc1 1872818029 JWZOXRNTBQVDNG-GNVQSUKOSA-N 520.695 8.297 50 10 KKGE O=C(N[C@H](CCBr)COCc1ccccc1)c1cc(Br)sc1Br 1902793503 BERPTJOKKFCOCF-GFCCVEGCSA-N 526.088 5.373 50 10 KKGE Clc1ccc([C@H](Br)c2sc(Br)cc2Br)cc1Br 1922944294 YIZQCIONFPBZIL-JTQLQIEISA-N 524.297 7.173 50 10 KKGE Clc1c(Br)sc(Br)c1[C@@H](Br)c1cc2ccccc2s1 1923067608 GALLHJNGGSXXQK-JTQLQIEISA-N 501.490 7.626 50 10 KKGE CC(F)(F)CC[C@@H](Br)c1c(Br)sc(Br)c1Br 1924614716 ZYOCGWIZPMLDGL-SCSAIBSYSA-N 505.842 6.907 50 10 KKGE Clc1sc(Cl)c([C@H](Br)c2c(Br)cccc2Br)c1Cl 1925549535 WHEWNEREZDEWDU-MRVPVSSYSA-N 514.291 7.718 50 10 KKGE Clc1ccc(Br)cc1[C@H](Br)c1c(Cl)sc(Br)c1Cl 1925586076 UWAUCBLSAVNBJD-QMMMGPOBSA-N 514.291 7.718 50 10 KKGE CCCCC[C@H](C=C[C@@H]1O[C@H]([C@@H](CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C 1933246587 GHSCHPFIJMZDGG-SBKPECCZSA-N 659.218 9.435 50 10 KKGE CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2033012757 OGHUVJCTSYYAOG-CFWLMOLOSA-N 672.671 11.271 50 10 KKGE CC(C)(C(F)F)[C@@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2085493347 ARZSEGBGKPNWTO-VIFPVBQESA-N 578.709 7.464 50 10 KKGE Brc1cc(Br)c(Br)c([C@@H](Br)[C@@H]2CCCOC2)c1Br 2085494611 MVHFFXUSFCZSQZ-LDWIPMOCSA-N 570.739 6.599 50 10 KKGE Fc1cc(Br)c(Cl)cc1[C@H](Br)c1cccc(Br)c1Br 2092331231 RUNWAJWTKLUCJW-GFCCVEGCSA-N 536.258 7.251 50 10 KKGE Clc1ccc(I)c(CC[C@H](Br)c2ccc(Br)cc2)c1 2113494186 XMLAWDVJEUZQDQ-AWEZNQCLSA-N 514.426 6.776 50 10 KKGE CC(C)(CC(F)F)[C@@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2141471517 SHXAOQSXHXOSDG-NSHDSACASA-N 548.285 7.698 50 10 KKGE CCC1([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)CCCC1 2141476681 FEQWRDRBWFTNAD-ZDUSSCGKSA-N 538.343 7.987 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)[C@@H]1C[C@H]2CC[C@H]1C2 2141476817 HKTLWZPXWQMHHR-FICLDZOFSA-N 536.327 7.453 50 10 KKGE CC(C)(C)OC(=O)NCCCN(C[C@@H](CBr)CC1CC1)c1cccc(Br)c1 2169162399 NSIQNLVGPTXMMR-QGZVFWFLSA-N 504.307 5.982 50 10 KKGE Cl[C@H](c1c(Br)c(Br)cc(Br)c1Br)C1C[C@H]2CC[C@H](C1)C2 2206395942 RMTNKTJPSPMPDB-VQLIFVOLSA-N 550.354 7.843 50 10 KKGE O=[N+]([O-])c1ccc([C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)o1 2206396818 BFPKJVKXTTYTBR-LLVKDONJSA-N 597.677 6.722 50 10 KKGE Clc1cc(Cl)cc([C@H](Br)c2c(Br)c(Br)cc(Br)c2Br)c1 2206399196 DIDOBNVODIMWPV-NSHDSACASA-N 631.609 8.528 50 10 KKGE Cc1ccc(F)c([C@@H](Cl)c2c(Br)c(Br)cc(Br)c2Br)c1 2206405865 RKXNEDAZDUHJKS-CQSZACIVSA-N 550.285 7.512 50 10 KKGE CCOc1ccc([C@H](Br)c2ccc(I)c(C)c2)c(Br)c1 2207104120 QMVOLFRUOAYGHM-MRXNPFEDSA-N 510.007 6.245 50 10 KKGE CC1(C)CCCN(C(=O)c2ccc(Br)cc2I)[C@H]1CBr 2207263710 ZSRGEUAVUAPAIP-ZDUSSCGKSA-N 515.027 5.079 50 10 KKGE Brc1ccc([C@H](Br)c2ccc3c(c2)OCCO3)c(I)c1 2207273967 YJFDGKFWZRVMOO-OAHLLOKOSA-N 509.963 5.309 50 10 KKGE Cc1ccc([C@H](Cl)c2c(Br)sc(Br)c2Br)cc1I 2217865566 WXNFGVVZYPFWOD-JTQLQIEISA-N 585.324 7.277 50 10 KKGE Cc1cc([C@@H](Br)c2cc(Br)c(Br)cc2F)sc1Br 2218596605 GXLWSRDAYYIDDU-NSHDSACASA-N 521.869 6.967 50 10 KKGE Cc1sc(Br)c(C)c1[C@@H](Br)c1cc(Br)cc(Br)c1 2218800430 KCMCLRYKDVXTDQ-LBPRGKRZSA-N 517.906 7.137 50 10 KKGE Clc1cc(Cl)cc(C[C@@H](Br)c2cc(I)ccc2Br)c1 2232136455 SKZMTFARPWZGAN-CQSZACIVSA-N 534.844 7.039 50 10 KKGE Cc1cc(Br)c([C@@H](Br)c2cccc(Br)c2Cl)c(C)c1Cl 2232528023 QNVILKLXSBSRRQ-ZDUSSCGKSA-N 501.871 7.620 50 10 KKGE CCc1cc([C@@H](Br)c2ccc(I)c(C)c2)sc1Br 2255979117 KMOAYGVVRRWEQO-ZDUSSCGKSA-N 500.037 6.470 50 10 KKGE COCc1cc(Br)c([C@@H](Br)c2c(F)cccc2I)s1 2267742053 YMQGBKDGTGRYRJ-LBPRGKRZSA-N 519.999 5.885 50 10 KKGE C(=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2294827550 RDEJKVICRYZPGQ-UHFFFAOYSA-N 550.622 7.446 50 10 KKGE COc1c(Br)cc(Cl)cc1[C@@H](Br)c1cc(C)ccc1I 2295267142 ISPFDDANNLDCPV-AWEZNQCLSA-N 530.425 6.508 50 10 KKGE Cc1c(NC(=O)C(C#N)=Cc2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)c(=O)n(-c2ccccc2)n1C 2296540275 KKZSKYHLVVBHOU-UHFFFAOYSA-N 586.696 6.308 50 10 KKGE Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccc(Cl)cc3)c(Oc3ccccc3Cl)nc12 2296723178 QACACJJIXZJXPE-UHFFFAOYSA-N 512.374 5.440 50 10 KKGE COc1cc(C=C(C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc(OC)c1OC 2296790130 QLPKSEOMZPIVIY-UHFFFAOYSA-N 525.380 5.769 50 10 KKGE N#CC(=Cc1cc(Br)c(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1cccc(Cl)c1Cl 2313571554 YVVDUMIPOACTIU-UHFFFAOYSA-N 646.081 7.624 50 10 KKGE Cc1cccc([C@H](Cl)c2cc(Br)ccc2OCc2ccccc2)c1I 2314447936 CSWIBMBMHPDVJD-FQEVSTJZSA-N 527.627 7.269 50 10 KKGE CC(C)c1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=C(C#N)C(=O)N[C@H](C)c2ccccc2)cc1 2314593098 HLPOWKMHRFCKSL-NFQMXDRXSA-N 530.093 6.767 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1C 2314617763 AFVJGGLVZDNJGQ-UHFFFAOYSA-N 532.600 6.020 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)C)C(=O)C(C#N)=C2C)cc1 2314618203 JEOBRUOHBICVPH-UHFFFAOYSA-N 538.648 5.735 50 10 KKGE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)C(C)=C(C#N)C1=O 2314618297 KYBQFLFTNCBOMI-UHFFFAOYSA-N 524.621 5.203 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)C=Cc4ccc(Cl)cc4)ccc32)ccc1OCC(C)C 2314634888 ZTSOJKBYQFVLGS-LJAQVGFWSA-N 531.008 6.220 50 10 KKGE COc1ccc(C2=C(C#N)C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C2=Cc2cn(-c3ccccc3)nc2-c2cccc(OCc3ccc(F)cc3)c2)cc1 2314646963 WUBRIWHHOBXJNH-JGCGQSQUSA-N 714.775 6.183 50 10 KKGE N#CC(=C(O)CCCOc1ccc(Br)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2331234998 CSYABNZOQYOACU-UHFFFAOYSA-N 520.792 6.786 50 10 KKGE COc1ccccc1-c1csc(C(C#N)=C(O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)n1 2331282014 SIDBCCOXFCTRAJ-UHFFFAOYSA-N 517.610 7.278 50 10 KKGE COc1ccc(C)cc1-c1csc(C(C#N)=C(O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2C)C3=O)n1 2331322919 IUUAGKZCROXNHE-UHFFFAOYSA-N 521.598 6.494 50 10 KKGE N#CC(=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1nc(-c2ccc3c(c2)OCO3)cs1 2331334694 BOIXDPSWPBMVGQ-QHCPKHFHSA-N 521.554 5.239 50 10 KKGE CCc1cccc(C)c1N1C[C@@H](C(O)=C(C#N)c2nc(-c3cc(C(C)C)c(OC)cc3C)cs2)CC1=O 2331353986 WCDTYRQWXRHCRG-NRFANRHFSA-N 515.679 6.967 50 10 KKGE CCOc1ccc(OCC)c(-c2csc(C(C#N)=C(O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)n2)c1 2331376399 ABJITCWQKBCUHS-XMMPIXPASA-N 517.607 5.721 50 10 KKGE COc1cc(OC)c(-c2csc(C(C#N)=C(O)CCCCCNC(=O)c3ccccc3)n2)cc1Cl 2331381094 HRBZQSVZXPNHEX-UHFFFAOYSA-N 512.031 6.264 50 10 KKGE O=[N+]([O-])c1ccc(Oc2cc(Br)cc(I)c2)cc1CBr 2364261810 ULIXHBGPFQQADP-UHFFFAOYSA-N 512.923 5.649 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1cccc(Cl)c1Br 2365197007 RVMOITOATGCCRW-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE Clc1ccccc1[C@H](CBr)OCc1ccc(I)c(Br)c1 2377596134 TTXPXIOUGFXKKQ-HNNXBMFYSA-N 530.425 6.360 50 10 KKGE Fc1cc(CBr)c(OCc2ccc(I)c(Br)c2)cc1Cl 2377616215 LUIGVXSMJRVXQZ-UHFFFAOYSA-N 534.388 6.320 50 10 KKGE N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(SC(F)F)cc2)cc1)C(=O)Nc1nc2ccccc2s1 4455230 SHZTTXFNMLEKGY-LGMDPLHJSA-N 536.585 6.174 50 10 KKGE O=C(N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21)c1ccc(CSc2nc3ccccc3s2)cc1 33044033 BPJVNEIDZFSTHE-QFLFYSFISA-N 521.667 7.247 50 10 KKGE N#C/C(=C/c1ccc(OC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)c1nnc2n1CCCCC2 34700737 AMHRBDRCOSRIPM-PGMHBOJBSA-N 502.530 5.547 50 10 KKGE CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4Cl)ccc32)cc1OCC 38684012 BFKWXHXUXLCVRJ-HHHXNRCGSA-N 518.997 6.355 50 10 KKGE Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(OCCC(C)C)c2)cc1C 38684697 JUWSUUYWWYEDRK-SSEXGKCCSA-N 512.606 5.931 50 10 KKGE CCc1ccc2oc(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3cc(OC)ccc3OC)c(C)c2c1 38688748 OAZHJDXXPVNHIJ-HHHXNRCGSA-N 510.546 5.758 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cncc(Br)c2)CCC3)c1 40823120 VVRMZXNEISYZOY-ZTKZIYFRSA-N 524.415 5.867 50 10 KKGE CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(Br)ccc2OCc2cccc(C)c2)cc1 58895585 OACXQUFDDXAPHN-PVYGGJOHSA-N 525.443 5.699 50 10 KKGE CCCCOc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 59159060 ZKXVXFVMIQRAMH-YCPBAFNGSA-N 514.689 7.375 50 10 KKGE CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 100234104 AJZPYVIPMOXHHU-GYDLQOCGSA-N 550.659 5.907 50 10 KKGE COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCCCN1C(=O)c2ccccc2C1=O 100300488 DZVVVRYJOXPYOL-OQKWZONESA-N 528.992 6.175 50 10 KKGE C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Br)c2)C1=O 101230980 INZXVTVZEKWXON-FYJGNVAPSA-N 529.394 5.089 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 101338069 RSPWZJXRIYQBLU-MWAVMZGNSA-N 542.639 6.163 50 10 KKGE COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc(OC)c(OC)c(OC)c4)ccc32)ccc1OCc1ccc(F)cc1 101387131 YXPXGYCHEBCFFG-HKBQPEDESA-N 612.610 5.876 50 10 KKGE CCc1ccc(NC(=O)/C(C#N)=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 101719560 KFDJPZXGDQBOPZ-HFTWOUSFSA-N 528.055 8.573 50 10 KKGE CC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(Br)cc2Br)=C(C#N)[C@@H]1c1sccc1C 103617889 IXQKNKWOVKZALK-FQEVSTJZSA-N 595.382 6.547 50 10 KKGE COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCc1ccc2ccccc2c1 103877625 KGYQZLQCIFSAFB-RQXXSLPSSA-N 565.673 7.957 50 10 KKGE O=C(N/N=C(/CSc1nc2ccccc2[nH]1)c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 105566486 QGCOMLKCCOFXRS-QOMWVZHYSA-N 555.370 5.068 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 150497552 SIDWKMQGNHJNNW-BIZUNTBRSA-N 629.091 7.703 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@@H]3C4=C(CS3(=O)=O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C4)CCC[C@@]21C 195830953 OFDIKJKJPJTORF-PQLGQDKQSA-N 705.251 11.282 50 10 KKGE CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1 196228435 WZGPIBBCDYPFDI-UQECUQMJSA-N 577.795 5.911 50 10 KKGE in-vitro CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2scc(-c3cccc([N+](=O)[O-])c3)c2C(=O)OCC)cc1 206414543 JBJIFFDLIXFVKF-ZHZULCJRSA-N 519.579 6.225 50 10 KKGE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 214357838 YRNYMVLVYFHLOJ-IMRQLAEWSA-N 506.606 5.863 50 10 KKGE CC1=C(C#N)C(=O)N(Cc2ccc3c(c2)OCO3)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc(C)c2c(c1)C[C@@H](C)O2 214388425 FXVFFWAUBFFGGH-WWINXXQNSA-N 584.632 5.692 50 10 KKGE Cc1cc(Br)c([C@H](Cl)c2cc(Br)ccc2I)s1 235823519 ZHWOBSDFCXGBSV-LLVKDONJSA-N 506.428 6.514 50 10 KKGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253531008 ZIOPTNAQQBNLAA-IVOIDJQKSA-N 649.788 5.330 50 10 KKGE biogenic O=C(NN=Cc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C=NNC(=O)c4ccccc4)cc3)c([N+](=O)[O-])c2)cc1)c1ccccc1 254702937 HWOIOVVSFXWJNB-UHFFFAOYSA-N 655.623 5.561 50 10 KKGE CC(C)[C@@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@]34C=C[C@@]5(C[C@@H](OC(=O)c6cc([N+](=O)[O-])cc([N+](=O)[O-])c6)CC[C@]5(C)[C@@H]3CC[C@]12C)[C@@H]1C(=O)OC(=O)[C@@H]14 254758249 GUHFPOVODRBWFL-VIJKFKHMSA-N 688.818 8.018 50 10 KKGE COc1cc(C(=O)OC(=O)CC[C@H](C)[C@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)cc(OC)c1OC 254790775 KHUBONOYDWHKJY-DUHSDSQJSA-N 586.766 5.803 50 10 KKGE CCCCCCCCCCCC(=O)NCC(=O)NN=Cc1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 263632764 TUUQUZWVNGUFJQ-CDDGJMNPSA-N 535.685 5.801 50 10 KKGE COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 616587310 JCCWPNDXSMAHGZ-UAQOLAROSA-N 970.194 10.101 50 10 KKGE C[C@@H]1CCCN(C(=O)c2cc(I)ccc2Br)[C@@H]1CCBr 697201367 RNEDWQPRPRFPSQ-QMTHXVAHSA-N 515.027 5.079 50 10 KKGE Cc1ccc(-n2c(C)c(Br)c(C=NNC(=O)CSCc3cccc(Cl)c3)c2C)cc1C 725446555 SODCSCOICIKHFL-UHFFFAOYSA-N 518.908 6.510 50 10 KKGE COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)ON1C(=O)CCC1=O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](O)C=CC=C(C)C2 888086890 KVEGDZGBBWHXMS-DQBOUMRYSA-N 981.584 5.188 50 10 KKGE CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC(=O)O 1083931626 QNXRNDVNPVNXRN-WUXMJOGZSA-N 514.159 5.164 50 10 KKGE O=C(NN=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12)c1ccc(Cl)cc1Cl 1083952255 KEGNDBVQLZJCIB-UHFFFAOYSA-N 548.304 7.630 50 10 KKGE Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c2C)c1 1084057754 KIWUXAHCPYKABB-UHFFFAOYSA-N 556.732 6.058 50 10 KKGE CCOc1cc(C=NNC(=O)c2ccccc2-n2cccc2)cc(Br)c1OCc1ccccc1 1084256056 ABIMHUHCSBBYOI-UHFFFAOYSA-N 518.411 5.981 50 10 KKGE N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 1084356874 JNGLVWIDGUWYMV-FYJGNVAPSA-N 537.403 5.736 50 10 KKGE Cc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCc3ccc(C(=O)O)cc3)c(I)c2)cc1 1084393552 PUNTVTNOJGVACG-VXLYETTFSA-N 664.237 6.027 50 10 KKGE Cc1ccc(C)c(-n2c(C)cc(C=NNC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)c2C)c1 1084515315 JVMZRKQUBTZYJD-UHFFFAOYSA-N 607.574 5.815 50 10 KKGE COC(=O)[C@]1(C)CC2=C3C=C[C@@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]54C)[C@@]3(C)CC[C@]2(C)/C(=N\NC(N)=O)C1 1565536904 UEHPPJREDWXIJQ-YWYFSTPQSA-N 581.798 6.447 50 10 KKGE Cc1ccc(C(C)C)c(OC(=O)c2oc3c(c2C)C(=NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CCC3)c1 1772748555 DWFQRBRIMRRRTB-UHFFFAOYSA-N 536.444 6.229 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1 1865684559 RYOJVMZEXBYZAD-QFIPXVFZSA-N 505.361 5.778 50 10 KKGE N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1cccc(Br)c1 1865684645 UTZHVFJQVRMEBX-QFIPXVFZSA-N 517.814 6.232 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3Cc2ccc(Cl)cc2)cc(Br)c1O 1865687785 AJHJQHUWZMVUOQ-QGZVFWFLSA-N 569.765 5.689 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2cc(Br)c(O)c(OC)c2)C(C#N)=C(N)O3)cc1 1865689771 WFNTYGAGVXKLFJ-QFIPXVFZSA-N 579.838 5.896 50 10 KKGE N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(OCc2ccccc2)cc1 1865690283 NHGZQSIQQGHOPR-QHCPKHFHSA-N 554.931 6.540 50 10 KKGE COc1ccc(-c2nn(Cc3c(F)cccc3Cl)c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1 1865692038 HSTTUGVSWMCFPT-RUZDIDTESA-N 577.012 5.643 50 10 KKGE CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccc(Br)cc2)cc1 1865692712 FJCSMCSRGVMDEL-DEOSSOPVSA-N 527.422 6.309 50 10 KKGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc3ccccc23)ccc1OCc1ccccc1 1865692853 GEOMMLBCMWTAKX-WJOKGBTCSA-N 528.612 6.530 50 10 KKGE COc1ccc(-c2nn(Cc3ccc(F)cc3)c3c2[C@H](c2cc(Br)cc(OC)c2O)C(C#N)=C(N)O3)cc1 1865696834 REQHUYRFFMQVMM-HSZRJFAPSA-N 577.410 5.441 50 10 KKGE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(OCCCc2ccccc2)c(OC)c1 1865697499 UVKNXPBYMZZDBV-NDEPHWFRSA-N 536.632 5.817 50 10 KKGE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2 1865701124 MLZSUJVTVRFUHO-RUZDIDTESA-N 517.416 6.539 50 10 KKGE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(OCc3ccccc3C)c(OCC)c1)C(C#N)=C(N)O2 1865703327 TUTFKNJPZAEMTR-SSEXGKCCSA-N 569.105 7.042 50 10 KKGE COc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2c(OCc3ccccc3)ccc3ccccc23)cc1 1865703978 JWXXUDLFDJDITF-PMERELPUSA-N 514.585 6.140 50 10 KKGE COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)cc1 1865711972 MNDGPGWWMURPKX-HSZRJFAPSA-N 519.388 6.081 50 10 KKGE COc1ccc([C@H]2C[C@@H](O)CCN2c2cc(Nc3ccc(SC#N)cc3)nc(C(C)(C)C)n2)cc1OC 1868341851 BEZUKARNXPLPEE-RBBKRZOGSA-N 519.671 5.810 50 10 KKGE Cc1ccc(C)c(N2C(=O)c3ccc(/C(O)=C(\C#N)c4nc(-c5ccccc5Cl)cs4)cc3C2=O)c1 1872746311 BVDVRCUTKIYMLR-DAFNUICNSA-N 511.990 6.831 50 10 KKGE Cn1ncc([C@H](Cl)c2c(Br)sc(Br)c2Br)c1Br 1924604544 DIMZNNCVAFIUOW-LURJTMIESA-N 528.289 5.860 50 10 KKGE Clc1sc(Br)c(Cl)c1[C@H](Br)c1scc(Br)c1Br 1925624826 YYJWDXGNZLJEPZ-YFKPBYRVSA-N 564.771 7.888 50 10 KKGE CCc1nc([C@@H](Br)c2sc(Br)cc2Br)c(Br)s1 2003570493 JSJASEHVRUVCGV-SSDOTTSWSA-N 524.923 6.539 50 10 KKGE CCc1sc(Br)cc1[C@@H](Br)c1cc(Br)cc(Br)c1 2030217619 DSNMKMSNWRGMOC-ZDUSSCGKSA-N 517.906 7.082 50 10 KKGE COC[C@@H]1C[C@@H]1[C@H](Cl)c1c(Br)c(Br)cc(Br)c1Br 2085494806 NTNGSKDXOPYAGT-WPOIXZHQSA-N 526.288 6.299 50 10 KKGE CCc1ccsc1[C@H](Br)c1c(Br)c(Br)cc(Br)c1Br 2141470376 GQGBXIUTGHXIND-GFCCVEGCSA-N 596.802 7.845 50 10 KKGE Cc1ccc(C[C@@H](Br)c2c(Br)c(Br)cc(Br)c2Br)cc1 2206398887 ZXSYVKMFIVXMAP-SNVBAGLBSA-N 590.773 7.724 50 10 KKGE Fc1cc(Br)c(F)c(Br)c1[C@H](Br)c1cscc1OCc1ccccc1 2260013438 KBABFMZSUHGRAI-MRXNPFEDSA-N 553.060 7.615 50 10 KKGE COc1c([C@H](Br)c2csc(I)c2)cc(Br)c(C)c1C 2269111399 RMWYMTZKOQFKCQ-CYBMUJFWSA-N 516.036 6.225 50 10 KKGE Fc1cc(C[C@@H](Br)c2ccc(I)c(Br)c2)ccc1Cl 2277799605 ZPAITEWARZLSEE-SNVBAGLBSA-N 518.389 6.525 50 10 KKGE COc1ccc([C@H](Cl)c2cc(Br)ccc2I)c(Br)c1Cl 2283552768 ITFMHYRIWSUTGJ-ZDUSSCGKSA-N 550.843 6.806 50 10 KKGE CCOc1cc(C=NNC(=O)C(=Cc2ccc(N(CC)CC)cc2)NC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccs1 2293677401 UVMDDWABBZNEPZ-UHFFFAOYSA-N 645.181 6.787 50 10 KKGE CN(C)c1ccc(C=C(NC(=O)c2ccccc2Cl)C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1 2294953963 PLRSXXNOSVETIX-UHFFFAOYSA-N 515.828 5.634 50 10 KKGE N#CC(=CNc1ccc(I)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2295902658 HWFIXLFUWZMEPB-UHFFFAOYSA-N 576.213 6.260 50 10 KKGE N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1 2296546101 NBXRCBVSVSKFBD-UHFFFAOYSA-N 521.580 6.831 50 10 KKGE N#CC(=Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1nc2ccccc2s1 2297476813 QQMFMXSEZAJCPP-UHFFFAOYSA-N 529.643 5.754 50 10 KKGE Cc1cc(C=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 2297549046 KCNRWZPZYLPLLQ-UHFFFAOYSA-N 544.743 6.818 50 10 KKGE COc1cc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1I 2297710542 RDIBFPYCURDWIX-RUZDIDTESA-N 616.455 5.975 50 10 KKGE Cn1nc(Br)c(Br)c1[C@H](Br)c1sc(Cl)cc1Br 2301118987 KGALLTLJCMAZIT-YFKPBYRVSA-N 528.289 5.907 50 10 KKGE ClC[C@@H](Br)[C@H](CCl)OCc1cc(I)ccc1Br 2302818450 DVPNRZCFLAOPQY-MNOVXSKESA-N 516.826 5.180 50 10 KKGE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C(C#N)c3nc4ccccc4n3C)c2)C1 2314476070 ICHWGOBIVMRYHR-DNQXCXABSA-N 576.726 6.157 50 10 KKGE Cc1cccc(NC(=O)C(C#N)=C2S[C@@H](Cc3cc(Cl)cc(Cl)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2314591651 AMVGILNEGHVQIS-VWLOTQADSA-N 536.484 6.984 50 10 KKGE CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(CCCOC(C)=O)C(=O)C(C#N)=C2C)cc1 2314620612 STNNBBOTWOSAHT-UHFFFAOYSA-N 552.631 5.264 50 10 KKGE CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@H](C)C(=O)NN=Cc2ccc3nccnc3c2)cc1 2321698236 UUCXDBYFAFPXMC-OAQYLSRUSA-N 523.637 6.047 50 10 KKGE CCC(=CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(SC#N)cc1)c1ccc(OC)cc1 2329543428 STXCZXLJPPSWQV-AREMUKBSSA-N 501.608 5.134 50 10 KKGE CC[C@H](C)[C@H](C(O)=C(C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1)N1C(=O)c2ccccc2C1=O 2331232692 UEVULFXYHHEGBX-UZTOHYMASA-N 519.626 6.981 50 10 KKGE CC(C)c1ccc(-c2csc(C(C#N)=C(O)C=Cc3ccc(OCc4ccccc4Cl)cc3)n2)cc1 2331340846 VAIUZFLKKUFALU-UHFFFAOYSA-N 513.062 8.672 50 10 KKGE Cc1nsc(Br)c1[C@H](Cl)c1c(Cl)cc(Br)c(F)c1Br 2337097916 OARHTVBBVUDVHD-VIFPVBQESA-N 512.851 6.860 50 10 KKGE Cc1sc([C@H](Cl)c2c(Cl)cc(Br)c(F)c2Br)c(C)c1Br 2362223493 JRKAPPPGSCZCKX-LLVKDONJSA-N 525.890 7.773 50 10 KKGE Fc1c(Br)cc(Cl)c([C@H](Br)c2cc(Br)ccc2Cl)c1Br 2362237230 RIGLNWNESQCRGO-LLVKDONJSA-N 570.703 7.904 50 10 KKGE Cc1cc(Br)c([C@H](Br)c2c(Br)c(Br)nn2C)c(C)c1Br 2364071327 QMGPYMFOYPUDQW-JTQLQIEISA-N 594.765 6.571 50 10 KKGE Cc1cc(Br)c(F)c(Br)c1[C@@H](Br)c1ccc(Br)c(Cl)c1 2365187029 WOVWTXPKJLFYGM-LBPRGKRZSA-N 550.285 7.559 50 10 KKGE COc1c(Br)cc(C)c([C@H](Br)c2nn(C)cc2Br)c1Br 2365233221 FJWODRRLYHORBB-JTQLQIEISA-N 531.868 5.509 50 10 KKGE